HEADER METAL BINDING PROTEIN 29-JUL-01 1IQS TITLE MINIMIZED AVERAGE STRUCTURE OF MTH1880 FROM TITLE 2 METHANOBACTERIUM THERMOAUTOTROPHICUM COMPND MOL_ID: 1; COMPND 2 MOLECULE: MTH1880; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CONSERVED PROTEIN; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER SOURCE 3 THERMAUTOTROPHICUS; SOURCE 4 ORGANISM_TAXID: 145262; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) PLYSS; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET13B KEYWDS ALPHA-BETA, ANTI-PARALLEL, METAL BINDING PROTEIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR C.H.LEE,J.SHIN,E.BANG,J.W.JUNG,A.YEE,C.H.ARROWSMITH,W.LEE REVDAT 3 24-FEB-09 1IQS 1 VERSN REVDAT 2 14-JAN-03 1IQS 1 REMARK REVDAT 1 29-JUL-02 1IQS 0 JRNL AUTH C.H.LEE,J.W.JUNG,A.YEE,C.H.ARROWSMITH,W.LEE JRNL TITL SOLUTION STRUCTURE OF A NOVEL CALCIUM BINDING JRNL TITL 2 PROTEIN, MTH1880, FROM METHANOBACTERIUM JRNL TITL 3 THERMOAUTOTROPHICUM. JRNL REF PROTEIN SCI. V. 13 1148 2004 JRNL REFN ISSN 0961-8368 JRNL PMID 15044740 JRNL DOI 10.1110/PS.03472104 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL REMARK 3 OF 762 RESTRAINTS, 669 ARE NOE-DERIVED DISTANCE CONSTRAINTS, REMARK 3 39 DIHEDRAL ANGLE RESTRAINTS,54 DISTANCE RESTRAINTS FROM REMARK 3 HYDROGEN BONDS. REMARK 4 REMARK 4 1IQS COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 03-AUG-01. REMARK 100 THE RCSB ID CODE IS RCSB005192. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.6 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 2MM MTH1880 U-15N,13C; 25MM REMARK 210 PHOSPHATE BUFFER, 300MM NACL; REMARK 210 90% H2O, 10% D2O; 2MM MTH1880 REMARK 210 U-15N; 25MM PHOSPHATE BUFFER, REMARK 210 300MM NACL; 90% H2O, 10% D2O; REMARK 210 1MM MTH1880 U-15N; 25MM REMARK 210 PHOSPHATE BUFFER, 300MM NACL; REMARK 210 100% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 3D_13C-SEPARATED_NOESY, 3D_ REMARK 210 15N-SEPARATED_NOESY, HNHA, 2D_ REMARK 210 15N HSQC FOR H/D EXCHANGE REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : DRX, INOVA REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.6, VNMR 6.1B, REMARK 210 NMRPIPE 1.8, SPARKY 3.98, REMARK 210 INSIGHT II 2000, MOLMOL 2.6.0 REMARK 210 METHOD USED : DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING MOLECULAR DYNAMICS REMARK 210 MATRIX RELAXATION TORSION REMARK 210 ANGLE DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : THIS MODEL IS THE MINIMIZED REMARK 210 AVERAGE STRUCTURE FROM 20 REMARK 210 STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY. REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 ALA A 4 93.00 -51.59 REMARK 500 LEU A 12 -149.14 48.89 REMARK 500 PRO A 16 56.41 -69.04 REMARK 500 PHE A 19 -90.33 -170.31 REMARK 500 ASP A 24 -31.28 -36.75 REMARK 500 GLU A 30 46.93 -175.51 REMARK 500 LYS A 32 -73.49 -51.44 REMARK 500 LYS A 33 147.88 159.72 REMARK 500 LEU A 34 70.11 -118.09 REMARK 500 ASP A 38 132.20 -37.15 REMARK 500 ILE A 45 69.95 -159.90 REMARK 500 LYS A 46 34.32 37.38 REMARK 500 THR A 48 -56.01 75.96 REMARK 500 GLN A 49 56.05 172.25 REMARK 500 SER A 50 -160.08 -175.50 REMARK 500 ASN A 60 -88.67 -94.48 REMARK 500 SER A 61 59.32 168.80 REMARK 500 ASP A 63 -39.06 -37.29 REMARK 500 LEU A 69 -71.69 -52.95 REMARK 500 GLU A 70 -30.57 -38.16 REMARK 500 ALA A 74 12.92 -143.34 REMARK 500 LYS A 75 -154.11 -98.94 REMARK 500 ILE A 76 140.36 -36.08 REMARK 500 THR A 80 12.14 -142.25 REMARK 500 LEU A 81 30.27 37.92 REMARK 500 HIS A 87 41.37 -153.67 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IQO RELATED DB: PDB REMARK 900 1IQO CONTAINS SAME PROTEIN (20 STRUCTURES OF MTH1880) DBREF 1IQS A 1 88 UNP O27908 O27908_METTH 1 88 SEQADV 1IQS LEU A 1 UNP O27908 MET 1 ENGINEERED SEQRES 1 A 88 LEU PHE ILE ALA THR LEU LYS GLY ILE PHE THR LEU LYS SEQRES 2 A 88 ASP LEU PRO GLU GLU PHE ARG PRO PHE VAL ASP TYR LYS SEQRES 3 A 88 ALA GLY LEU GLU LYS LYS LYS LEU SER ASP ASP ASP GLU SEQRES 4 A 88 ILE ALA ILE ILE SER ILE LYS GLY THR GLN SER ASN HIS SEQRES 5 A 88 VAL LEU PHE LEU SER SER TYR ASN SER VAL ASP GLU ILE SEQRES 6 A 88 ARG LYS GLU LEU GLU GLU ALA GLY ALA LYS ILE ASN HIS SEQRES 7 A 88 THR THR LEU LYS ILE LEU GLU GLY HIS LEU HELIX 1 1 VAL A 23 LEU A 29 1 7 HELIX 2 2 VAL A 62 LYS A 75 1 14 HELIX 3 3 LEU A 81 LEU A 88 1 8 SHEET 1 A 3 LEU A 6 THR A 11 0 SHEET 2 A 3 GLU A 39 SER A 44 -1 N ILE A 40 O PHE A 10 SHEET 3 A 3 ASN A 51 PHE A 55 -1 N HIS A 52 O ILE A 43 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 LEU A 1 -10.018 22.073 1.036 1.00 0.00 N ATOM 2 CA LEU A 1 -11.268 21.910 1.823 1.00 0.00 C ATOM 3 C LEU A 1 -11.933 20.569 1.529 1.00 0.00 C ATOM 4 O LEU A 1 -13.126 20.509 1.233 1.00 0.00 O ATOM 5 CB LEU A 1 -12.217 23.058 1.473 1.00 0.00 C ATOM 6 CG LEU A 1 -11.558 24.258 0.791 1.00 0.00 C ATOM 7 CD1 LEU A 1 -12.594 25.080 0.041 1.00 0.00 C ATOM 8 CD2 LEU A 1 -10.831 25.117 1.813 1.00 0.00 C ATOM 9 H1 LEU A 1 -9.368 21.310 1.311 1.00 0.00 H ATOM 10 H2 LEU A 1 -9.620 23.007 1.265 1.00 0.00 H ATOM 11 H3 LEU A 1 -10.266 22.007 0.029 1.00 0.00 H ATOM 12 HA LEU A 1 -11.022 21.959 2.873 1.00 0.00 H ATOM 13 HB2 LEU A 1 -12.986 22.674 0.818 1.00 0.00 H ATOM 14 HB3 LEU A 1 -12.683 23.402 2.385 1.00 0.00 H ATOM 15 HG LEU A 1 -10.832 23.902 0.074 1.00 0.00 H ATOM 16 HD11 LEU A 1 -13.521 24.528 -0.013 1.00 0.00 H ATOM 17 HD12 LEU A 1 -12.238 25.284 -0.958 1.00 0.00 H ATOM 18 HD13 LEU A 1 -12.760 26.012 0.562 1.00 0.00 H ATOM 19 HD21 LEU A 1 -11.490 25.898 2.162 1.00 0.00 H ATOM 20 HD22 LEU A 1 -9.959 25.561 1.356 1.00 0.00 H ATOM 21 HD23 LEU A 1 -10.526 24.504 2.648 1.00 0.00 H ATOM 22 N PHE A 2 -11.153 19.496 1.614 1.00 0.00 N ATOM 23 CA PHE A 2 -11.667 18.156 1.357 1.00 0.00 C ATOM 24 C PHE A 2 -10.784 17.100 2.014 1.00 0.00 C ATOM 25 O PHE A 2 -9.887 17.423 2.793 1.00 0.00 O ATOM 26 CB PHE A 2 -11.754 17.900 -0.148 1.00 0.00 C ATOM 27 CG PHE A 2 -12.645 18.870 -0.871 1.00 0.00 C ATOM 28 CD1 PHE A 2 -14.017 18.848 -0.678 1.00 0.00 C ATOM 29 CD2 PHE A 2 -12.109 19.803 -1.744 1.00 0.00 C ATOM 30 CE1 PHE A 2 -14.838 19.739 -1.342 1.00 0.00 C ATOM 31 CE2 PHE A 2 -12.926 20.697 -2.411 1.00 0.00 C ATOM 32 CZ PHE A 2 -14.292 20.665 -2.210 1.00 0.00 C ATOM 33 H PHE A 2 -10.210 19.609 1.854 1.00 0.00 H ATOM 34 HA PHE A 2 -12.658 18.094 1.782 1.00 0.00 H ATOM 35 HB2 PHE A 2 -10.766 17.974 -0.577 1.00 0.00 H ATOM 36 HB3 PHE A 2 -12.140 16.905 -0.315 1.00 0.00 H ATOM 37 HD1 PHE A 2 -14.445 18.125 0.000 1.00 0.00 H ATOM 38 HD2 PHE A 2 -11.041 19.829 -1.903 1.00 0.00 H ATOM 39 HE1 PHE A 2 -15.906 19.712 -1.183 1.00 0.00 H ATOM 40 HE2 PHE A 2 -12.496 21.420 -3.089 1.00 0.00 H ATOM 41 HZ PHE A 2 -14.932 21.362 -2.730 1.00 0.00 H ATOM 42 N ILE A 3 -11.044 15.836 1.693 1.00 0.00 N ATOM 43 CA ILE A 3 -10.272 14.732 2.252 1.00 0.00 C ATOM 44 C ILE A 3 -8.994 14.497 1.454 1.00 0.00 C ATOM 45 O ILE A 3 -8.980 13.718 0.501 1.00 0.00 O ATOM 46 CB ILE A 3 -11.094 13.429 2.279 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.282 13.569 3.231 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.215 12.257 2.688 1.00 0.00 C ATOM 49 CD1 ILE A 3 -13.214 14.707 2.872 1.00 0.00 C ATOM 50 H ILE A 3 -11.771 15.642 1.066 1.00 0.00 H ATOM 51 HA ILE A 3 -10.009 14.989 3.267 1.00 0.00 H ATOM 52 HB ILE A 3 -11.461 13.241 1.281 1.00 0.00 H ATOM 53 HG12 ILE A 3 -12.856 12.655 3.218 1.00 0.00 H ATOM 54 HG13 ILE A 3 -11.915 13.744 4.232 1.00 0.00 H ATOM 55 HG21 ILE A 3 -10.806 11.537 3.234 1.00 0.00 H ATOM 56 HG22 ILE A 3 -9.410 12.612 3.315 1.00 0.00 H ATOM 57 HG23 ILE A 3 -9.803 11.790 1.805 1.00 0.00 H ATOM 58 HD11 ILE A 3 -14.155 14.577 3.387 1.00 0.00 H ATOM 59 HD12 ILE A 3 -13.384 14.709 1.806 1.00 0.00 H ATOM 60 HD13 ILE A 3 -12.768 15.645 3.168 1.00 0.00 H ATOM 61 N ALA A 4 -7.922 15.175 1.851 1.00 0.00 N ATOM 62 CA ALA A 4 -6.639 15.040 1.173 1.00 0.00 C ATOM 63 C ALA A 4 -6.239 13.574 1.040 1.00 0.00 C ATOM 64 O ALA A 4 -5.624 13.004 1.941 1.00 0.00 O ATOM 65 CB ALA A 4 -5.564 15.816 1.919 1.00 0.00 C ATOM 66 H ALA A 4 -7.996 15.781 2.617 1.00 0.00 H ATOM 67 HA ALA A 4 -6.737 15.467 0.185 1.00 0.00 H ATOM 68 HB1 ALA A 4 -4.775 15.142 2.218 1.00 0.00 H ATOM 69 HB2 ALA A 4 -5.996 16.276 2.796 1.00 0.00 H ATOM 70 HB3 ALA A 4 -5.159 16.581 1.274 1.00 0.00 H ATOM 71 N THR A 5 -6.593 12.970 -0.089 1.00 0.00 N ATOM 72 CA THR A 5 -6.271 11.570 -0.340 1.00 0.00 C ATOM 73 C THR A 5 -4.930 11.440 -1.054 1.00 0.00 C ATOM 74 O THR A 5 -4.780 11.871 -2.197 1.00 0.00 O ATOM 75 CB THR A 5 -7.372 10.913 -1.174 1.00 0.00 C ATOM 76 OG1 THR A 5 -8.035 11.874 -1.975 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.420 10.212 -0.336 1.00 0.00 C ATOM 78 H THR A 5 -7.082 13.477 -0.770 1.00 0.00 H ATOM 79 HA THR A 5 -6.207 11.069 0.615 1.00 0.00 H ATOM 80 HB THR A 5 -6.924 10.177 -1.826 1.00 0.00 H ATOM 81 HG1 THR A 5 -8.771 11.459 -2.430 1.00 0.00 H ATOM 82 HG21 THR A 5 -9.271 9.969 -0.954 1.00 0.00 H ATOM 83 HG22 THR A 5 -8.732 10.862 0.468 1.00 0.00 H ATOM 84 HG23 THR A 5 -8.004 9.304 0.076 1.00 0.00 H ATOM 85 N LEU A 6 -3.957 10.843 -0.372 1.00 0.00 N ATOM 86 CA LEU A 6 -2.628 10.657 -0.942 1.00 0.00 C ATOM 87 C LEU A 6 -2.428 9.215 -1.397 1.00 0.00 C ATOM 88 O LEU A 6 -2.873 8.277 -0.735 1.00 0.00 O ATOM 89 CB LEU A 6 -1.554 11.035 0.080 1.00 0.00 C ATOM 90 CG LEU A 6 -0.599 12.144 -0.365 1.00 0.00 C ATOM 91 CD1 LEU A 6 -1.351 13.221 -1.130 1.00 0.00 C ATOM 92 CD2 LEU A 6 0.118 12.742 0.836 1.00 0.00 C ATOM 93 H LEU A 6 -4.138 10.521 0.535 1.00 0.00 H ATOM 94 HA LEU A 6 -2.541 11.307 -1.800 1.00 0.00 H ATOM 95 HB2 LEU A 6 -2.048 11.355 0.987 1.00 0.00 H ATOM 96 HB3 LEU A 6 -0.970 10.155 0.300 1.00 0.00 H ATOM 97 HG LEU A 6 0.146 11.724 -1.025 1.00 0.00 H ATOM 98 HD11 LEU A 6 -2.301 13.406 -0.652 1.00 0.00 H ATOM 99 HD12 LEU A 6 -1.517 12.892 -2.145 1.00 0.00 H ATOM 100 HD13 LEU A 6 -0.769 14.131 -1.137 1.00 0.00 H ATOM 101 HD21 LEU A 6 -0.413 13.621 1.171 1.00 0.00 H ATOM 102 HD22 LEU A 6 1.125 13.014 0.556 1.00 0.00 H ATOM 103 HD23 LEU A 6 0.150 12.015 1.635 1.00 0.00 H ATOM 104 N LYS A 7 -1.755 9.045 -2.530 1.00 0.00 N ATOM 105 CA LYS A 7 -1.495 7.717 -3.074 1.00 0.00 C ATOM 106 C LYS A 7 -0.080 7.627 -3.636 1.00 0.00 C ATOM 107 O LYS A 7 0.175 8.032 -4.770 1.00 0.00 O ATOM 108 CB LYS A 7 -2.512 7.382 -4.166 1.00 0.00 C ATOM 109 CG LYS A 7 -3.915 7.133 -3.636 1.00 0.00 C ATOM 110 CD LYS A 7 -4.956 7.253 -4.737 1.00 0.00 C ATOM 111 CE LYS A 7 -5.657 5.927 -4.986 1.00 0.00 C ATOM 112 NZ LYS A 7 -7.002 6.117 -5.597 1.00 0.00 N ATOM 113 H LYS A 7 -1.425 9.832 -3.013 1.00 0.00 H ATOM 114 HA LYS A 7 -1.596 7.005 -2.269 1.00 0.00 H ATOM 115 HB2 LYS A 7 -2.556 8.204 -4.866 1.00 0.00 H ATOM 116 HB3 LYS A 7 -2.185 6.495 -4.687 1.00 0.00 H ATOM 117 HG2 LYS A 7 -3.960 6.138 -3.218 1.00 0.00 H ATOM 118 HG3 LYS A 7 -4.132 7.859 -2.866 1.00 0.00 H ATOM 119 HD2 LYS A 7 -5.691 7.988 -4.445 1.00 0.00 H ATOM 120 HD3 LYS A 7 -4.468 7.569 -5.647 1.00 0.00 H ATOM 121 HE2 LYS A 7 -5.050 5.333 -5.652 1.00 0.00 H ATOM 122 HE3 LYS A 7 -5.769 5.411 -4.044 1.00 0.00 H ATOM 123 HZ1 LYS A 7 -6.910 6.274 -6.622 1.00 0.00 H ATOM 124 HZ2 LYS A 7 -7.475 6.940 -5.173 1.00 0.00 H ATOM 125 HZ3 LYS A 7 -7.589 5.273 -5.438 1.00 0.00 H ATOM 126 N GLY A 8 0.836 7.095 -2.834 1.00 0.00 N ATOM 127 CA GLY A 8 2.214 6.962 -3.269 1.00 0.00 C ATOM 128 C GLY A 8 2.513 5.589 -3.839 1.00 0.00 C ATOM 129 O GLY A 8 2.260 4.572 -3.193 1.00 0.00 O ATOM 130 H GLY A 8 0.575 6.789 -1.940 1.00 0.00 H ATOM 131 HA2 GLY A 8 2.414 7.705 -4.026 1.00 0.00 H ATOM 132 HA3 GLY A 8 2.865 7.138 -2.425 1.00 0.00 H ATOM 133 N ILE A 9 3.054 5.560 -5.053 1.00 0.00 N ATOM 134 CA ILE A 9 3.388 4.303 -5.711 1.00 0.00 C ATOM 135 C ILE A 9 4.790 3.839 -5.329 1.00 0.00 C ATOM 136 O ILE A 9 5.759 4.587 -5.460 1.00 0.00 O ATOM 137 CB ILE A 9 3.303 4.430 -7.243 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.862 4.712 -7.674 1.00 0.00 C ATOM 139 CG2 ILE A 9 3.823 3.165 -7.910 1.00 0.00 C ATOM 140 CD1 ILE A 9 1.655 4.646 -9.172 1.00 0.00 C ATOM 141 H ILE A 9 3.233 6.405 -5.517 1.00 0.00 H ATOM 142 HA ILE A 9 2.674 3.558 -5.391 1.00 0.00 H ATOM 143 HB ILE A 9 3.930 5.253 -7.550 1.00 0.00 H ATOM 144 HG12 ILE A 9 1.207 3.985 -7.217 1.00 0.00 H ATOM 145 HG13 ILE A 9 1.582 5.701 -7.343 1.00 0.00 H ATOM 146 HG21 ILE A 9 4.901 3.143 -7.848 1.00 0.00 H ATOM 147 HG22 ILE A 9 3.521 3.154 -8.947 1.00 0.00 H ATOM 148 HG23 ILE A 9 3.416 2.300 -7.407 1.00 0.00 H ATOM 149 HD11 ILE A 9 0.643 4.938 -9.408 1.00 0.00 H ATOM 150 HD12 ILE A 9 1.828 3.636 -9.514 1.00 0.00 H ATOM 151 HD13 ILE A 9 2.347 5.315 -9.661 1.00 0.00 H ATOM 152 N PHE A 10 4.890 2.602 -4.855 1.00 0.00 N ATOM 153 CA PHE A 10 6.174 2.039 -4.454 1.00 0.00 C ATOM 154 C PHE A 10 6.547 0.850 -5.334 1.00 0.00 C ATOM 155 O PHE A 10 6.018 -0.249 -5.168 1.00 0.00 O ATOM 156 CB PHE A 10 6.129 1.606 -2.986 1.00 0.00 C ATOM 157 CG PHE A 10 6.068 2.755 -2.019 1.00 0.00 C ATOM 158 CD1 PHE A 10 6.722 3.946 -2.293 1.00 0.00 C ATOM 159 CD2 PHE A 10 5.356 2.643 -0.836 1.00 0.00 C ATOM 160 CE1 PHE A 10 6.667 5.003 -1.405 1.00 0.00 C ATOM 161 CE2 PHE A 10 5.298 3.697 0.056 1.00 0.00 C ATOM 162 CZ PHE A 10 5.954 4.878 -0.229 1.00 0.00 C ATOM 163 H PHE A 10 4.082 2.054 -4.774 1.00 0.00 H ATOM 164 HA PHE A 10 6.924 2.807 -4.571 1.00 0.00 H ATOM 165 HB2 PHE A 10 5.255 0.992 -2.827 1.00 0.00 H ATOM 166 HB3 PHE A 10 7.014 1.028 -2.762 1.00 0.00 H ATOM 167 HD1 PHE A 10 7.280 4.045 -3.212 1.00 0.00 H ATOM 168 HD2 PHE A 10 4.843 1.720 -0.612 1.00 0.00 H ATOM 169 HE1 PHE A 10 7.182 5.925 -1.630 1.00 0.00 H ATOM 170 HE2 PHE A 10 4.740 3.597 0.975 1.00 0.00 H ATOM 171 HZ PHE A 10 5.910 5.703 0.467 1.00 0.00 H ATOM 172 N THR A 11 7.461 1.078 -6.272 1.00 0.00 N ATOM 173 CA THR A 11 7.904 0.025 -7.180 1.00 0.00 C ATOM 174 C THR A 11 9.360 -0.331 -6.941 1.00 0.00 C ATOM 175 O THR A 11 10.233 0.537 -6.922 1.00 0.00 O ATOM 176 CB THR A 11 7.700 0.453 -8.634 1.00 0.00 C ATOM 177 OG1 THR A 11 8.807 1.206 -9.096 1.00 0.00 O ATOM 178 CG2 THR A 11 6.456 1.289 -8.843 1.00 0.00 C ATOM 179 H THR A 11 7.846 1.974 -6.357 1.00 0.00 H ATOM 180 HA THR A 11 7.313 -0.852 -6.986 1.00 0.00 H ATOM 181 HB THR A 11 7.611 -0.431 -9.249 1.00 0.00 H ATOM 182 HG1 THR A 11 9.015 0.951 -9.998 1.00 0.00 H ATOM 183 HG21 THR A 11 6.134 1.206 -9.870 1.00 0.00 H ATOM 184 HG22 THR A 11 6.675 2.323 -8.616 1.00 0.00 H ATOM 185 HG23 THR A 11 5.671 0.937 -8.190 1.00 0.00 H ATOM 186 N LEU A 12 9.610 -1.621 -6.761 1.00 0.00 N ATOM 187 CA LEU A 12 10.955 -2.107 -6.526 1.00 0.00 C ATOM 188 C LEU A 12 11.637 -1.285 -5.433 1.00 0.00 C ATOM 189 O LEU A 12 10.980 -0.784 -4.521 1.00 0.00 O ATOM 190 CB LEU A 12 11.760 -2.055 -7.828 1.00 0.00 C ATOM 191 CG LEU A 12 10.946 -2.292 -9.101 1.00 0.00 C ATOM 192 CD1 LEU A 12 9.825 -3.286 -8.840 1.00 0.00 C ATOM 193 CD2 LEU A 12 10.386 -0.979 -9.627 1.00 0.00 C ATOM 194 H LEU A 12 8.868 -2.261 -6.790 1.00 0.00 H ATOM 195 HA LEU A 12 10.885 -3.132 -6.196 1.00 0.00 H ATOM 196 HB2 LEU A 12 12.226 -1.083 -7.899 1.00 0.00 H ATOM 197 HB3 LEU A 12 12.535 -2.804 -7.778 1.00 0.00 H ATOM 198 HG LEU A 12 11.592 -2.709 -9.860 1.00 0.00 H ATOM 199 HD11 LEU A 12 8.918 -2.751 -8.601 1.00 0.00 H ATOM 200 HD12 LEU A 12 10.096 -3.925 -8.013 1.00 0.00 H ATOM 201 HD13 LEU A 12 9.666 -3.888 -9.723 1.00 0.00 H ATOM 202 HD21 LEU A 12 10.604 -0.188 -8.924 1.00 0.00 H ATOM 203 HD22 LEU A 12 9.316 -1.068 -9.749 1.00 0.00 H ATOM 204 HD23 LEU A 12 10.839 -0.750 -10.579 1.00 0.00 H ATOM 205 N LYS A 13 12.953 -1.153 -5.529 1.00 0.00 N ATOM 206 CA LYS A 13 13.722 -0.395 -4.549 1.00 0.00 C ATOM 207 C LYS A 13 13.622 1.101 -4.820 1.00 0.00 C ATOM 208 O LYS A 13 13.833 1.920 -3.925 1.00 0.00 O ATOM 209 CB LYS A 13 15.188 -0.833 -4.570 1.00 0.00 C ATOM 210 CG LYS A 13 15.397 -2.279 -4.152 1.00 0.00 C ATOM 211 CD LYS A 13 14.587 -2.624 -2.912 1.00 0.00 C ATOM 212 CE LYS A 13 13.320 -3.384 -3.268 1.00 0.00 C ATOM 213 NZ LYS A 13 13.618 -4.722 -3.849 1.00 0.00 N ATOM 214 H LYS A 13 13.418 -1.575 -6.274 1.00 0.00 H ATOM 215 HA LYS A 13 13.308 -0.601 -3.573 1.00 0.00 H ATOM 216 HB2 LYS A 13 15.574 -0.710 -5.571 1.00 0.00 H ATOM 217 HB3 LYS A 13 15.750 -0.202 -3.897 1.00 0.00 H ATOM 218 HG2 LYS A 13 15.090 -2.925 -4.961 1.00 0.00 H ATOM 219 HG3 LYS A 13 16.445 -2.435 -3.942 1.00 0.00 H ATOM 220 HD2 LYS A 13 15.190 -3.237 -2.259 1.00 0.00 H ATOM 221 HD3 LYS A 13 14.318 -1.709 -2.405 1.00 0.00 H ATOM 222 HE2 LYS A 13 12.729 -3.513 -2.374 1.00 0.00 H ATOM 223 HE3 LYS A 13 12.759 -2.805 -3.988 1.00 0.00 H ATOM 224 HZ1 LYS A 13 14.646 -4.849 -3.943 1.00 0.00 H ATOM 225 HZ2 LYS A 13 13.182 -4.810 -4.788 1.00 0.00 H ATOM 226 HZ3 LYS A 13 13.242 -5.471 -3.233 1.00 0.00 H ATOM 227 N ASP A 14 13.295 1.452 -6.059 1.00 0.00 N ATOM 228 CA ASP A 14 13.163 2.851 -6.447 1.00 0.00 C ATOM 229 C ASP A 14 11.814 3.417 -6.006 1.00 0.00 C ATOM 230 O ASP A 14 11.471 4.552 -6.337 1.00 0.00 O ATOM 231 CB ASP A 14 13.319 2.998 -7.962 1.00 0.00 C ATOM 232 CG ASP A 14 14.069 4.258 -8.346 1.00 0.00 C ATOM 233 OD1 ASP A 14 14.660 4.894 -7.448 1.00 0.00 O ATOM 234 OD2 ASP A 14 14.066 4.608 -9.545 1.00 0.00 O ATOM 235 H ASP A 14 13.136 0.753 -6.728 1.00 0.00 H ATOM 236 HA ASP A 14 13.949 3.405 -5.959 1.00 0.00 H ATOM 237 HB2 ASP A 14 13.862 2.147 -8.346 1.00 0.00 H ATOM 238 HB3 ASP A 14 12.340 3.030 -8.417 1.00 0.00 H ATOM 239 N LEU A 15 11.053 2.620 -5.260 1.00 0.00 N ATOM 240 CA LEU A 15 9.743 3.046 -4.780 1.00 0.00 C ATOM 241 C LEU A 15 9.794 4.395 -4.052 1.00 0.00 C ATOM 242 O LEU A 15 8.828 5.156 -4.103 1.00 0.00 O ATOM 243 CB LEU A 15 9.124 1.980 -3.867 1.00 0.00 C ATOM 244 CG LEU A 15 10.062 1.368 -2.824 1.00 0.00 C ATOM 245 CD1 LEU A 15 10.216 2.299 -1.631 1.00 0.00 C ATOM 246 CD2 LEU A 15 9.539 0.011 -2.375 1.00 0.00 C ATOM 247 H LEU A 15 11.375 1.724 -5.031 1.00 0.00 H ATOM 248 HA LEU A 15 9.110 3.158 -5.646 1.00 0.00 H ATOM 249 HB2 LEU A 15 8.292 2.428 -3.347 1.00 0.00 H ATOM 250 HB3 LEU A 15 8.748 1.182 -4.489 1.00 0.00 H ATOM 251 HG LEU A 15 11.037 1.220 -3.263 1.00 0.00 H ATOM 252 HD11 LEU A 15 9.546 1.988 -0.843 1.00 0.00 H ATOM 253 HD12 LEU A 15 9.976 3.309 -1.929 1.00 0.00 H ATOM 254 HD13 LEU A 15 11.234 2.261 -1.273 1.00 0.00 H ATOM 255 HD21 LEU A 15 9.159 -0.528 -3.229 1.00 0.00 H ATOM 256 HD22 LEU A 15 8.746 0.152 -1.655 1.00 0.00 H ATOM 257 HD23 LEU A 15 10.341 -0.552 -1.921 1.00 0.00 H ATOM 258 N PRO A 16 10.905 4.728 -3.358 1.00 0.00 N ATOM 259 CA PRO A 16 11.019 6.000 -2.635 1.00 0.00 C ATOM 260 C PRO A 16 11.102 7.195 -3.577 1.00 0.00 C ATOM 261 O PRO A 16 12.049 7.979 -3.521 1.00 0.00 O ATOM 262 CB PRO A 16 12.321 5.859 -1.836 1.00 0.00 C ATOM 263 CG PRO A 16 12.677 4.411 -1.908 1.00 0.00 C ATOM 264 CD PRO A 16 12.124 3.922 -3.211 1.00 0.00 C ATOM 265 HA PRO A 16 10.191 6.140 -1.955 1.00 0.00 H ATOM 266 HB2 PRO A 16 13.086 6.475 -2.286 1.00 0.00 H ATOM 267 HB3 PRO A 16 12.153 6.172 -0.817 1.00 0.00 H ATOM 268 HG2 PRO A 16 13.750 4.294 -1.887 1.00 0.00 H ATOM 269 HG3 PRO A 16 12.224 3.879 -1.085 1.00 0.00 H ATOM 270 HD2 PRO A 16 12.820 4.119 -4.013 1.00 0.00 H ATOM 271 HD3 PRO A 16 11.892 2.872 -3.157 1.00 0.00 H ATOM 272 N GLU A 17 10.103 7.325 -4.440 1.00 0.00 N ATOM 273 CA GLU A 17 10.053 8.421 -5.400 1.00 0.00 C ATOM 274 C GLU A 17 10.495 9.730 -4.755 1.00 0.00 C ATOM 275 O GLU A 17 11.013 10.622 -5.428 1.00 0.00 O ATOM 276 CB GLU A 17 8.638 8.565 -5.964 1.00 0.00 C ATOM 277 CG GLU A 17 7.723 9.424 -5.106 1.00 0.00 C ATOM 278 CD GLU A 17 7.502 10.805 -5.691 1.00 0.00 C ATOM 279 OE1 GLU A 17 8.173 11.140 -6.690 1.00 0.00 O ATOM 280 OE2 GLU A 17 6.657 11.550 -5.152 1.00 0.00 O ATOM 281 H GLU A 17 9.379 6.667 -4.431 1.00 0.00 H ATOM 282 HA GLU A 17 10.730 8.185 -6.207 1.00 0.00 H ATOM 283 HB2 GLU A 17 8.698 9.010 -6.946 1.00 0.00 H ATOM 284 HB3 GLU A 17 8.196 7.583 -6.050 1.00 0.00 H ATOM 285 HG2 GLU A 17 6.767 8.931 -5.016 1.00 0.00 H ATOM 286 HG3 GLU A 17 8.166 9.530 -4.126 1.00 0.00 H ATOM 287 N GLU A 18 10.288 9.839 -3.447 1.00 0.00 N ATOM 288 CA GLU A 18 10.665 11.039 -2.711 1.00 0.00 C ATOM 289 C GLU A 18 12.172 11.114 -2.529 1.00 0.00 C ATOM 290 O GLU A 18 12.829 12.034 -3.015 1.00 0.00 O ATOM 291 CB GLU A 18 9.973 11.066 -1.347 1.00 0.00 C ATOM 292 CG GLU A 18 9.027 12.243 -1.168 1.00 0.00 C ATOM 293 CD GLU A 18 8.899 12.672 0.280 1.00 0.00 C ATOM 294 OE1 GLU A 18 8.664 11.797 1.140 1.00 0.00 O ATOM 295 OE2 GLU A 18 9.032 13.883 0.555 1.00 0.00 O ATOM 296 H GLU A 18 9.871 9.094 -2.966 1.00 0.00 H ATOM 297 HA GLU A 18 10.349 11.887 -3.280 1.00 0.00 H ATOM 298 HB2 GLU A 18 9.405 10.155 -1.226 1.00 0.00 H ATOM 299 HB3 GLU A 18 10.726 11.116 -0.575 1.00 0.00 H ATOM 300 HG2 GLU A 18 9.400 13.078 -1.743 1.00 0.00 H ATOM 301 HG3 GLU A 18 8.050 11.962 -1.534 1.00 0.00 H ATOM 302 N PHE A 19 12.704 10.134 -1.825 1.00 0.00 N ATOM 303 CA PHE A 19 14.137 10.063 -1.562 1.00 0.00 C ATOM 304 C PHE A 19 14.510 8.722 -0.939 1.00 0.00 C ATOM 305 O PHE A 19 14.815 7.761 -1.646 1.00 0.00 O ATOM 306 CB PHE A 19 14.564 11.204 -0.637 1.00 0.00 C ATOM 307 CG PHE A 19 15.226 12.344 -1.357 1.00 0.00 C ATOM 308 CD1 PHE A 19 16.554 12.259 -1.742 1.00 0.00 C ATOM 309 CD2 PHE A 19 14.520 13.500 -1.649 1.00 0.00 C ATOM 310 CE1 PHE A 19 17.166 13.306 -2.405 1.00 0.00 C ATOM 311 CE2 PHE A 19 15.127 14.551 -2.311 1.00 0.00 C ATOM 312 CZ PHE A 19 16.451 14.453 -2.690 1.00 0.00 C ATOM 313 H PHE A 19 12.115 9.440 -1.475 1.00 0.00 H ATOM 314 HA PHE A 19 14.652 10.164 -2.505 1.00 0.00 H ATOM 315 HB2 PHE A 19 13.693 11.593 -0.131 1.00 0.00 H ATOM 316 HB3 PHE A 19 15.260 10.823 0.096 1.00 0.00 H ATOM 317 HD1 PHE A 19 17.114 11.362 -1.521 1.00 0.00 H ATOM 318 HD2 PHE A 19 13.484 13.578 -1.353 1.00 0.00 H ATOM 319 HE1 PHE A 19 18.202 13.227 -2.700 1.00 0.00 H ATOM 320 HE2 PHE A 19 14.566 15.447 -2.532 1.00 0.00 H ATOM 321 HZ PHE A 19 16.928 15.273 -3.208 1.00 0.00 H ATOM 322 N ARG A 20 14.483 8.664 0.389 1.00 0.00 N ATOM 323 CA ARG A 20 14.818 7.441 1.108 1.00 0.00 C ATOM 324 C ARG A 20 13.594 6.543 1.255 1.00 0.00 C ATOM 325 O ARG A 20 12.468 7.025 1.381 1.00 0.00 O ATOM 326 CB ARG A 20 15.388 7.777 2.488 1.00 0.00 C ATOM 327 CG ARG A 20 16.549 8.757 2.444 1.00 0.00 C ATOM 328 CD ARG A 20 17.864 8.079 2.792 1.00 0.00 C ATOM 329 NE ARG A 20 18.059 7.971 4.235 1.00 0.00 N ATOM 330 CZ ARG A 20 18.998 7.217 4.797 1.00 0.00 C ATOM 331 NH1 ARG A 20 19.824 6.509 4.038 1.00 0.00 N ATOM 332 NH2 ARG A 20 19.113 7.171 6.117 1.00 0.00 N ATOM 333 H ARG A 20 14.231 9.464 0.897 1.00 0.00 H ATOM 334 HA ARG A 20 15.569 6.916 0.537 1.00 0.00 H ATOM 335 HB2 ARG A 20 14.604 8.206 3.094 1.00 0.00 H ATOM 336 HB3 ARG A 20 15.732 6.865 2.954 1.00 0.00 H ATOM 337 HG2 ARG A 20 16.621 9.171 1.450 1.00 0.00 H ATOM 338 HG3 ARG A 20 16.363 9.550 3.154 1.00 0.00 H ATOM 339 HD2 ARG A 20 17.868 7.089 2.363 1.00 0.00 H ATOM 340 HD3 ARG A 20 18.674 8.657 2.371 1.00 0.00 H ATOM 341 HE ARG A 20 17.459 8.487 4.815 1.00 0.00 H ATOM 342 HH11 ARG A 20 19.740 6.542 3.042 1.00 0.00 H ATOM 343 HH12 ARG A 20 20.530 5.942 4.462 1.00 0.00 H ATOM 344 HH21 ARG A 20 18.492 7.704 6.692 1.00 0.00 H ATOM 345 HH22 ARG A 20 19.820 6.603 6.538 1.00 0.00 H ATOM 346 N PRO A 21 13.805 5.219 1.241 1.00 0.00 N ATOM 347 CA PRO A 21 12.720 4.242 1.372 1.00 0.00 C ATOM 348 C PRO A 21 12.157 4.184 2.788 1.00 0.00 C ATOM 349 O PRO A 21 12.907 4.161 3.764 1.00 0.00 O ATOM 350 CB PRO A 21 13.394 2.918 1.010 1.00 0.00 C ATOM 351 CG PRO A 21 14.829 3.119 1.356 1.00 0.00 C ATOM 352 CD PRO A 21 15.121 4.572 1.094 1.00 0.00 C ATOM 353 HA PRO A 21 11.919 4.444 0.676 1.00 0.00 H ATOM 354 HB2 PRO A 21 12.955 2.118 1.588 1.00 0.00 H ATOM 355 HB3 PRO A 21 13.267 2.721 -0.044 1.00 0.00 H ATOM 356 HG2 PRO A 21 14.991 2.887 2.399 1.00 0.00 H ATOM 357 HG3 PRO A 21 15.448 2.494 0.731 1.00 0.00 H ATOM 358 HD2 PRO A 21 15.821 4.953 1.822 1.00 0.00 H ATOM 359 HD3 PRO A 21 15.505 4.705 0.094 1.00 0.00 H ATOM 360 N PHE A 22 10.833 4.159 2.892 1.00 0.00 N ATOM 361 CA PHE A 22 10.168 4.101 4.188 1.00 0.00 C ATOM 362 C PHE A 22 9.723 2.678 4.506 1.00 0.00 C ATOM 363 O PHE A 22 9.573 2.308 5.670 1.00 0.00 O ATOM 364 CB PHE A 22 8.962 5.042 4.210 1.00 0.00 C ATOM 365 CG PHE A 22 8.645 5.581 5.576 1.00 0.00 C ATOM 366 CD1 PHE A 22 7.986 4.796 6.508 1.00 0.00 C ATOM 367 CD2 PHE A 22 9.007 6.871 5.928 1.00 0.00 C ATOM 368 CE1 PHE A 22 7.693 5.288 7.766 1.00 0.00 C ATOM 369 CE2 PHE A 22 8.717 7.369 7.184 1.00 0.00 C ATOM 370 CZ PHE A 22 8.059 6.577 8.104 1.00 0.00 C ATOM 371 H PHE A 22 10.289 4.179 2.077 1.00 0.00 H ATOM 372 HA PHE A 22 10.876 4.420 4.938 1.00 0.00 H ATOM 373 HB2 PHE A 22 9.158 5.882 3.560 1.00 0.00 H ATOM 374 HB3 PHE A 22 8.093 4.510 3.851 1.00 0.00 H ATOM 375 HD1 PHE A 22 7.699 3.788 6.245 1.00 0.00 H ATOM 376 HD2 PHE A 22 9.521 7.492 5.208 1.00 0.00 H ATOM 377 HE1 PHE A 22 7.179 4.667 8.484 1.00 0.00 H ATOM 378 HE2 PHE A 22 9.005 8.377 7.445 1.00 0.00 H ATOM 379 HZ PHE A 22 7.831 6.964 9.086 1.00 0.00 H ATOM 380 N VAL A 23 9.515 1.883 3.461 1.00 0.00 N ATOM 381 CA VAL A 23 9.089 0.499 3.627 1.00 0.00 C ATOM 382 C VAL A 23 10.274 -0.455 3.528 1.00 0.00 C ATOM 383 O VAL A 23 10.226 -1.575 4.038 1.00 0.00 O ATOM 384 CB VAL A 23 8.038 0.104 2.573 1.00 0.00 C ATOM 385 CG1 VAL A 23 6.872 1.080 2.588 1.00 0.00 C ATOM 386 CG2 VAL A 23 8.669 0.036 1.190 1.00 0.00 C ATOM 387 H VAL A 23 9.653 2.235 2.557 1.00 0.00 H ATOM 388 HA VAL A 23 8.642 0.401 4.605 1.00 0.00 H ATOM 389 HB VAL A 23 7.660 -0.877 2.821 1.00 0.00 H ATOM 390 HG11 VAL A 23 6.474 1.181 1.589 1.00 0.00 H ATOM 391 HG12 VAL A 23 7.214 2.043 2.937 1.00 0.00 H ATOM 392 HG13 VAL A 23 6.101 0.710 3.247 1.00 0.00 H ATOM 393 HG21 VAL A 23 9.315 0.889 1.047 1.00 0.00 H ATOM 394 HG22 VAL A 23 7.892 0.042 0.439 1.00 0.00 H ATOM 395 HG23 VAL A 23 9.247 -0.872 1.102 1.00 0.00 H ATOM 396 N ASP A 24 11.337 -0.004 2.870 1.00 0.00 N ATOM 397 CA ASP A 24 12.535 -0.819 2.707 1.00 0.00 C ATOM 398 C ASP A 24 12.798 -1.650 3.958 1.00 0.00 C ATOM 399 O ASP A 24 13.336 -2.755 3.880 1.00 0.00 O ATOM 400 CB ASP A 24 13.745 0.069 2.406 1.00 0.00 C ATOM 401 CG ASP A 24 15.060 -0.657 2.612 1.00 0.00 C ATOM 402 OD1 ASP A 24 15.363 -1.021 3.767 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.787 -0.861 1.617 1.00 0.00 O ATOM 404 H ASP A 24 11.316 0.897 2.487 1.00 0.00 H ATOM 405 HA ASP A 24 12.372 -1.485 1.874 1.00 0.00 H ATOM 406 HB2 ASP A 24 13.694 0.400 1.380 1.00 0.00 H ATOM 407 HB3 ASP A 24 13.723 0.929 3.059 1.00 0.00 H ATOM 408 N TYR A 25 12.414 -1.111 5.110 1.00 0.00 N ATOM 409 CA TYR A 25 12.606 -1.803 6.379 1.00 0.00 C ATOM 410 C TYR A 25 11.884 -3.146 6.378 1.00 0.00 C ATOM 411 O TYR A 25 12.418 -4.148 6.852 1.00 0.00 O ATOM 412 CB TYR A 25 12.103 -0.939 7.537 1.00 0.00 C ATOM 413 CG TYR A 25 10.618 -1.069 7.791 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.699 -0.353 7.035 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.136 -1.909 8.787 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.341 -0.469 7.265 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.780 -2.031 9.022 1.00 0.00 C ATOM 418 CZ TYR A 25 7.887 -1.309 8.259 1.00 0.00 C ATOM 419 OH TYR A 25 6.536 -1.428 8.490 1.00 0.00 O ATOM 420 H TYR A 25 11.990 -0.227 5.107 1.00 0.00 H ATOM 421 HA TYR A 25 13.664 -1.977 6.504 1.00 0.00 H ATOM 422 HB2 TYR A 25 12.620 -1.225 8.441 1.00 0.00 H ATOM 423 HB3 TYR A 25 12.314 0.098 7.321 1.00 0.00 H ATOM 424 HD1 TYR A 25 10.058 0.304 6.257 1.00 0.00 H ATOM 425 HD2 TYR A 25 10.838 -2.473 9.384 1.00 0.00 H ATOM 426 HE1 TYR A 25 7.643 0.096 6.666 1.00 0.00 H ATOM 427 HE2 TYR A 25 8.424 -2.689 9.802 1.00 0.00 H ATOM 428 HH TYR A 25 6.054 -0.894 7.854 1.00 0.00 H ATOM 429 N LYS A 26 10.669 -3.158 5.840 1.00 0.00 N ATOM 430 CA LYS A 26 9.877 -4.380 5.775 1.00 0.00 C ATOM 431 C LYS A 26 10.560 -5.420 4.893 1.00 0.00 C ATOM 432 O LYS A 26 10.410 -6.623 5.104 1.00 0.00 O ATOM 433 CB LYS A 26 8.476 -4.079 5.240 1.00 0.00 C ATOM 434 CG LYS A 26 7.658 -5.325 4.941 1.00 0.00 C ATOM 435 CD LYS A 26 6.366 -4.982 4.218 1.00 0.00 C ATOM 436 CE LYS A 26 5.203 -5.818 4.729 1.00 0.00 C ATOM 437 NZ LYS A 26 3.889 -5.250 4.321 1.00 0.00 N ATOM 438 H LYS A 26 10.298 -2.327 5.476 1.00 0.00 H ATOM 439 HA LYS A 26 9.794 -4.775 6.777 1.00 0.00 H ATOM 440 HB2 LYS A 26 7.942 -3.491 5.972 1.00 0.00 H ATOM 441 HB3 LYS A 26 8.567 -3.507 4.328 1.00 0.00 H ATOM 442 HG2 LYS A 26 8.242 -5.986 4.319 1.00 0.00 H ATOM 443 HG3 LYS A 26 7.420 -5.819 5.871 1.00 0.00 H ATOM 444 HD2 LYS A 26 6.142 -3.938 4.376 1.00 0.00 H ATOM 445 HD3 LYS A 26 6.495 -5.169 3.162 1.00 0.00 H ATOM 446 HE2 LYS A 26 5.293 -6.818 4.331 1.00 0.00 H ATOM 447 HE3 LYS A 26 5.251 -5.856 5.808 1.00 0.00 H ATOM 448 HZ1 LYS A 26 3.995 -4.693 3.449 1.00 0.00 H ATOM 449 HZ2 LYS A 26 3.518 -4.633 5.071 1.00 0.00 H ATOM 450 HZ3 LYS A 26 3.206 -6.016 4.150 1.00 0.00 H ATOM 451 N ALA A 27 11.312 -4.946 3.905 1.00 0.00 N ATOM 452 CA ALA A 27 12.021 -5.832 2.992 1.00 0.00 C ATOM 453 C ALA A 27 13.286 -6.383 3.640 1.00 0.00 C ATOM 454 O ALA A 27 13.816 -7.411 3.216 1.00 0.00 O ATOM 455 CB ALA A 27 12.362 -5.099 1.703 1.00 0.00 C ATOM 456 H ALA A 27 11.393 -3.976 3.790 1.00 0.00 H ATOM 457 HA ALA A 27 11.365 -6.655 2.748 1.00 0.00 H ATOM 458 HB1 ALA A 27 13.431 -4.963 1.638 1.00 0.00 H ATOM 459 HB2 ALA A 27 11.875 -4.135 1.697 1.00 0.00 H ATOM 460 HB3 ALA A 27 12.021 -5.679 0.858 1.00 0.00 H ATOM 461 N GLY A 28 13.765 -5.693 4.670 1.00 0.00 N ATOM 462 CA GLY A 28 14.964 -6.128 5.361 1.00 0.00 C ATOM 463 C GLY A 28 14.727 -6.362 6.840 1.00 0.00 C ATOM 464 O GLY A 28 15.675 -6.518 7.610 1.00 0.00 O ATOM 465 H GLY A 28 13.300 -4.882 4.963 1.00 0.00 H ATOM 466 HA2 GLY A 28 15.311 -7.048 4.913 1.00 0.00 H ATOM 467 HA3 GLY A 28 15.727 -5.374 5.245 1.00 0.00 H ATOM 468 N LEU A 29 13.459 -6.385 7.239 1.00 0.00 N ATOM 469 CA LEU A 29 13.101 -6.601 8.636 1.00 0.00 C ATOM 470 C LEU A 29 13.425 -8.027 9.075 1.00 0.00 C ATOM 471 O LEU A 29 13.299 -8.367 10.251 1.00 0.00 O ATOM 472 CB LEU A 29 11.615 -6.313 8.853 1.00 0.00 C ATOM 473 CG LEU A 29 10.685 -7.509 8.640 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.406 -8.210 9.961 1.00 0.00 C ATOM 475 CD2 LEU A 29 9.386 -7.063 7.986 1.00 0.00 C ATOM 476 H LEU A 29 12.747 -6.254 6.578 1.00 0.00 H ATOM 477 HA LEU A 29 13.681 -5.915 9.234 1.00 0.00 H ATOM 478 HB2 LEU A 29 11.483 -5.956 9.865 1.00 0.00 H ATOM 479 HB3 LEU A 29 11.318 -5.530 8.172 1.00 0.00 H ATOM 480 HG LEU A 29 11.167 -8.218 7.982 1.00 0.00 H ATOM 481 HD11 LEU A 29 10.451 -7.491 10.766 1.00 0.00 H ATOM 482 HD12 LEU A 29 11.146 -8.979 10.124 1.00 0.00 H ATOM 483 HD13 LEU A 29 9.423 -8.656 9.931 1.00 0.00 H ATOM 484 HD21 LEU A 29 9.203 -6.025 8.220 1.00 0.00 H ATOM 485 HD22 LEU A 29 8.571 -7.666 8.358 1.00 0.00 H ATOM 486 HD23 LEU A 29 9.463 -7.183 6.916 1.00 0.00 H ATOM 487 N GLU A 30 13.842 -8.858 8.125 1.00 0.00 N ATOM 488 CA GLU A 30 14.182 -10.245 8.419 1.00 0.00 C ATOM 489 C GLU A 30 14.734 -10.945 7.181 1.00 0.00 C ATOM 490 O GLU A 30 14.324 -12.056 6.852 1.00 0.00 O ATOM 491 CB GLU A 30 12.954 -10.995 8.938 1.00 0.00 C ATOM 492 CG GLU A 30 13.280 -12.350 9.545 1.00 0.00 C ATOM 493 CD GLU A 30 12.045 -13.200 9.771 1.00 0.00 C ATOM 494 OE1 GLU A 30 11.564 -13.819 8.799 1.00 0.00 O ATOM 495 OE2 GLU A 30 11.558 -13.245 10.920 1.00 0.00 O ATOM 496 H GLU A 30 13.923 -8.532 7.205 1.00 0.00 H ATOM 497 HA GLU A 30 14.942 -10.244 9.185 1.00 0.00 H ATOM 498 HB2 GLU A 30 12.471 -10.393 9.694 1.00 0.00 H ATOM 499 HB3 GLU A 30 12.267 -11.148 8.119 1.00 0.00 H ATOM 500 HG2 GLU A 30 13.944 -12.879 8.878 1.00 0.00 H ATOM 501 HG3 GLU A 30 13.772 -12.196 10.495 1.00 0.00 H ATOM 502 N LYS A 31 15.662 -10.280 6.500 1.00 0.00 N ATOM 503 CA LYS A 31 16.277 -10.825 5.294 1.00 0.00 C ATOM 504 C LYS A 31 15.215 -11.216 4.274 1.00 0.00 C ATOM 505 O LYS A 31 15.319 -12.245 3.607 1.00 0.00 O ATOM 506 CB LYS A 31 17.171 -12.024 5.637 1.00 0.00 C ATOM 507 CG LYS A 31 16.458 -13.370 5.619 1.00 0.00 C ATOM 508 CD LYS A 31 16.666 -14.125 6.922 1.00 0.00 C ATOM 509 CE LYS A 31 17.348 -15.463 6.688 1.00 0.00 C ATOM 510 NZ LYS A 31 18.382 -15.380 5.620 1.00 0.00 N ATOM 511 H LYS A 31 15.939 -9.395 6.815 1.00 0.00 H ATOM 512 HA LYS A 31 16.888 -10.047 4.864 1.00 0.00 H ATOM 513 HB2 LYS A 31 17.981 -12.065 4.925 1.00 0.00 H ATOM 514 HB3 LYS A 31 17.584 -11.875 6.624 1.00 0.00 H ATOM 515 HG2 LYS A 31 15.402 -13.212 5.473 1.00 0.00 H ATOM 516 HG3 LYS A 31 16.851 -13.962 4.806 1.00 0.00 H ATOM 517 HD2 LYS A 31 17.281 -13.529 7.579 1.00 0.00 H ATOM 518 HD3 LYS A 31 15.705 -14.297 7.384 1.00 0.00 H ATOM 519 HE2 LYS A 31 17.818 -15.779 7.607 1.00 0.00 H ATOM 520 HE3 LYS A 31 16.601 -16.188 6.399 1.00 0.00 H ATOM 521 HZ1 LYS A 31 19.096 -16.124 5.755 1.00 0.00 H ATOM 522 HZ2 LYS A 31 18.854 -14.454 5.650 1.00 0.00 H ATOM 523 HZ3 LYS A 31 17.942 -15.502 4.685 1.00 0.00 H ATOM 524 N LYS A 32 14.195 -10.376 4.160 1.00 0.00 N ATOM 525 CA LYS A 32 13.104 -10.617 3.223 1.00 0.00 C ATOM 526 C LYS A 32 13.641 -10.896 1.823 1.00 0.00 C ATOM 527 O LYS A 32 13.620 -12.035 1.355 1.00 0.00 O ATOM 528 CB LYS A 32 12.159 -9.414 3.189 1.00 0.00 C ATOM 529 CG LYS A 32 10.688 -9.796 3.230 1.00 0.00 C ATOM 530 CD LYS A 32 9.876 -8.994 2.226 1.00 0.00 C ATOM 531 CE LYS A 32 8.870 -9.869 1.497 1.00 0.00 C ATOM 532 NZ LYS A 32 7.476 -9.373 1.667 1.00 0.00 N ATOM 533 H LYS A 32 14.179 -9.572 4.721 1.00 0.00 H ATOM 534 HA LYS A 32 12.558 -11.483 3.565 1.00 0.00 H ATOM 535 HB2 LYS A 32 12.369 -8.782 4.039 1.00 0.00 H ATOM 536 HB3 LYS A 32 12.338 -8.856 2.282 1.00 0.00 H ATOM 537 HG2 LYS A 32 10.592 -10.846 2.998 1.00 0.00 H ATOM 538 HG3 LYS A 32 10.305 -9.608 4.222 1.00 0.00 H ATOM 539 HD2 LYS A 32 9.346 -8.212 2.749 1.00 0.00 H ATOM 540 HD3 LYS A 32 10.548 -8.554 1.503 1.00 0.00 H ATOM 541 HE2 LYS A 32 9.113 -9.877 0.445 1.00 0.00 H ATOM 542 HE3 LYS A 32 8.936 -10.874 1.889 1.00 0.00 H ATOM 543 HZ1 LYS A 32 7.195 -8.807 0.841 1.00 0.00 H ATOM 544 HZ2 LYS A 32 7.408 -8.781 2.519 1.00 0.00 H ATOM 545 HZ3 LYS A 32 6.820 -10.175 1.764 1.00 0.00 H ATOM 546 N LYS A 33 14.123 -9.850 1.159 1.00 0.00 N ATOM 547 CA LYS A 33 14.666 -9.983 -0.188 1.00 0.00 C ATOM 548 C LYS A 33 14.683 -8.636 -0.903 1.00 0.00 C ATOM 549 O LYS A 33 13.821 -7.788 -0.672 1.00 0.00 O ATOM 550 CB LYS A 33 13.844 -10.991 -0.994 1.00 0.00 C ATOM 551 CG LYS A 33 14.544 -12.325 -1.194 1.00 0.00 C ATOM 552 CD LYS A 33 15.793 -12.176 -2.047 1.00 0.00 C ATOM 553 CE LYS A 33 15.448 -11.811 -3.482 1.00 0.00 C ATOM 554 NZ LYS A 33 16.618 -11.961 -4.390 1.00 0.00 N ATOM 555 H LYS A 33 14.113 -8.968 1.586 1.00 0.00 H ATOM 556 HA LYS A 33 15.679 -10.345 -0.102 1.00 0.00 H ATOM 557 HB2 LYS A 33 12.912 -11.172 -0.479 1.00 0.00 H ATOM 558 HB3 LYS A 33 13.633 -10.570 -1.966 1.00 0.00 H ATOM 559 HG2 LYS A 33 14.824 -12.722 -0.230 1.00 0.00 H ATOM 560 HG3 LYS A 33 13.864 -13.007 -1.683 1.00 0.00 H ATOM 561 HD2 LYS A 33 16.413 -11.398 -1.628 1.00 0.00 H ATOM 562 HD3 LYS A 33 16.334 -13.112 -2.043 1.00 0.00 H ATOM 563 HE2 LYS A 33 14.654 -12.458 -3.823 1.00 0.00 H ATOM 564 HE3 LYS A 33 15.111 -10.785 -3.507 1.00 0.00 H ATOM 565 HZ1 LYS A 33 16.795 -11.069 -4.895 1.00 0.00 H ATOM 566 HZ2 LYS A 33 16.437 -12.711 -5.087 1.00 0.00 H ATOM 567 HZ3 LYS A 33 17.467 -12.210 -3.842 1.00 0.00 H ATOM 568 N LEU A 34 15.671 -8.446 -1.772 1.00 0.00 N ATOM 569 CA LEU A 34 15.801 -7.202 -2.521 1.00 0.00 C ATOM 570 C LEU A 34 15.683 -7.456 -4.021 1.00 0.00 C ATOM 571 O LEU A 34 16.662 -7.344 -4.758 1.00 0.00 O ATOM 572 CB LEU A 34 17.140 -6.532 -2.210 1.00 0.00 C ATOM 573 CG LEU A 34 17.179 -5.738 -0.903 1.00 0.00 C ATOM 574 CD1 LEU A 34 16.657 -6.582 0.250 1.00 0.00 C ATOM 575 CD2 LEU A 34 18.592 -5.255 -0.615 1.00 0.00 C ATOM 576 H LEU A 34 16.328 -9.160 -1.912 1.00 0.00 H ATOM 577 HA LEU A 34 15.000 -6.546 -2.215 1.00 0.00 H ATOM 578 HB2 LEU A 34 17.900 -7.299 -2.164 1.00 0.00 H ATOM 579 HB3 LEU A 34 17.380 -5.859 -3.020 1.00 0.00 H ATOM 580 HG LEU A 34 16.541 -4.871 -0.997 1.00 0.00 H ATOM 581 HD11 LEU A 34 17.065 -6.213 1.179 1.00 0.00 H ATOM 582 HD12 LEU A 34 16.957 -7.610 0.108 1.00 0.00 H ATOM 583 HD13 LEU A 34 15.579 -6.522 0.281 1.00 0.00 H ATOM 584 HD21 LEU A 34 19.301 -6.004 -0.935 1.00 0.00 H ATOM 585 HD22 LEU A 34 18.705 -5.081 0.445 1.00 0.00 H ATOM 586 HD23 LEU A 34 18.775 -4.335 -1.152 1.00 0.00 H ATOM 587 N SER A 35 14.478 -7.797 -4.465 1.00 0.00 N ATOM 588 CA SER A 35 14.231 -8.067 -5.877 1.00 0.00 C ATOM 589 C SER A 35 13.693 -6.826 -6.582 1.00 0.00 C ATOM 590 O SER A 35 13.185 -5.906 -5.940 1.00 0.00 O ATOM 591 CB SER A 35 13.244 -9.225 -6.032 1.00 0.00 C ATOM 592 OG SER A 35 13.924 -10.449 -6.253 1.00 0.00 O ATOM 593 H SER A 35 13.736 -7.870 -3.828 1.00 0.00 H ATOM 594 HA SER A 35 15.171 -8.344 -6.330 1.00 0.00 H ATOM 595 HB2 SER A 35 12.653 -9.314 -5.133 1.00 0.00 H ATOM 596 HB3 SER A 35 12.594 -9.031 -6.872 1.00 0.00 H ATOM 597 HG SER A 35 14.236 -10.482 -7.160 1.00 0.00 H ATOM 598 N ASP A 36 13.807 -6.808 -7.906 1.00 0.00 N ATOM 599 CA ASP A 36 13.331 -5.680 -8.698 1.00 0.00 C ATOM 600 C ASP A 36 11.855 -5.844 -9.047 1.00 0.00 C ATOM 601 O ASP A 36 11.335 -5.159 -9.928 1.00 0.00 O ATOM 602 CB ASP A 36 14.157 -5.545 -9.979 1.00 0.00 C ATOM 603 CG ASP A 36 15.376 -4.664 -9.790 1.00 0.00 C ATOM 604 OD1 ASP A 36 15.870 -4.571 -8.646 1.00 0.00 O ATOM 605 OD2 ASP A 36 15.838 -4.067 -10.785 1.00 0.00 O ATOM 606 H ASP A 36 14.221 -7.571 -8.360 1.00 0.00 H ATOM 607 HA ASP A 36 13.451 -4.785 -8.107 1.00 0.00 H ATOM 608 HB2 ASP A 36 14.489 -6.524 -10.291 1.00 0.00 H ATOM 609 HB3 ASP A 36 13.540 -5.114 -10.754 1.00 0.00 H ATOM 610 N ASP A 37 11.186 -6.756 -8.350 1.00 0.00 N ATOM 611 CA ASP A 37 9.769 -7.010 -8.585 1.00 0.00 C ATOM 612 C ASP A 37 8.919 -6.436 -7.457 1.00 0.00 C ATOM 613 O ASP A 37 7.748 -6.110 -7.652 1.00 0.00 O ATOM 614 CB ASP A 37 9.514 -8.512 -8.718 1.00 0.00 C ATOM 615 CG ASP A 37 8.911 -8.880 -10.060 1.00 0.00 C ATOM 616 OD1 ASP A 37 8.441 -7.966 -10.770 1.00 0.00 O ATOM 617 OD2 ASP A 37 8.909 -10.081 -10.401 1.00 0.00 O ATOM 618 H ASP A 37 11.655 -7.271 -7.660 1.00 0.00 H ATOM 619 HA ASP A 37 9.495 -6.524 -9.510 1.00 0.00 H ATOM 620 HB2 ASP A 37 10.449 -9.041 -8.608 1.00 0.00 H ATOM 621 HB3 ASP A 37 8.834 -8.826 -7.940 1.00 0.00 H ATOM 622 N ASP A 38 9.515 -6.315 -6.276 1.00 0.00 N ATOM 623 CA ASP A 38 8.812 -5.780 -5.115 1.00 0.00 C ATOM 624 C ASP A 38 7.871 -4.652 -5.523 1.00 0.00 C ATOM 625 O ASP A 38 8.256 -3.744 -6.260 1.00 0.00 O ATOM 626 CB ASP A 38 9.813 -5.275 -4.075 1.00 0.00 C ATOM 627 CG ASP A 38 9.436 -5.682 -2.664 1.00 0.00 C ATOM 628 OD1 ASP A 38 8.241 -5.957 -2.425 1.00 0.00 O ATOM 629 OD2 ASP A 38 10.335 -5.726 -1.798 1.00 0.00 O ATOM 630 H ASP A 38 10.451 -6.592 -6.182 1.00 0.00 H ATOM 631 HA ASP A 38 8.231 -6.580 -4.683 1.00 0.00 H ATOM 632 HB2 ASP A 38 10.790 -5.679 -4.297 1.00 0.00 H ATOM 633 HB3 ASP A 38 9.856 -4.196 -4.120 1.00 0.00 H ATOM 634 N GLU A 39 6.635 -4.716 -5.039 1.00 0.00 N ATOM 635 CA GLU A 39 5.637 -3.699 -5.352 1.00 0.00 C ATOM 636 C GLU A 39 4.779 -3.385 -4.132 1.00 0.00 C ATOM 637 O GLU A 39 4.141 -4.271 -3.563 1.00 0.00 O ATOM 638 CB GLU A 39 4.750 -4.165 -6.508 1.00 0.00 C ATOM 639 CG GLU A 39 5.142 -3.574 -7.853 1.00 0.00 C ATOM 640 CD GLU A 39 4.036 -3.687 -8.884 1.00 0.00 C ATOM 641 OE1 GLU A 39 3.167 -4.570 -8.728 1.00 0.00 O ATOM 642 OE2 GLU A 39 4.039 -2.892 -9.847 1.00 0.00 O ATOM 643 H GLU A 39 6.387 -5.465 -4.456 1.00 0.00 H ATOM 644 HA GLU A 39 6.160 -2.803 -5.651 1.00 0.00 H ATOM 645 HB2 GLU A 39 4.810 -5.241 -6.581 1.00 0.00 H ATOM 646 HB3 GLU A 39 3.729 -3.883 -6.299 1.00 0.00 H ATOM 647 HG2 GLU A 39 5.381 -2.530 -7.717 1.00 0.00 H ATOM 648 HG3 GLU A 39 6.013 -4.097 -8.221 1.00 0.00 H ATOM 649 N ILE A 40 4.766 -2.116 -3.735 1.00 0.00 N ATOM 650 CA ILE A 40 3.986 -1.684 -2.582 1.00 0.00 C ATOM 651 C ILE A 40 3.182 -0.429 -2.903 1.00 0.00 C ATOM 652 O ILE A 40 3.521 0.321 -3.818 1.00 0.00 O ATOM 653 CB ILE A 40 4.888 -1.405 -1.365 1.00 0.00 C ATOM 654 CG1 ILE A 40 5.899 -2.538 -1.181 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.045 -1.230 -0.110 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.528 -2.570 0.195 1.00 0.00 C ATOM 657 H ILE A 40 5.295 -1.455 -4.229 1.00 0.00 H ATOM 658 HA ILE A 40 3.303 -2.481 -2.324 1.00 0.00 H ATOM 659 HB ILE A 40 5.419 -0.483 -1.543 1.00 0.00 H ATOM 660 HG12 ILE A 40 5.403 -3.484 -1.340 1.00 0.00 H ATOM 661 HG13 ILE A 40 6.691 -2.426 -1.907 1.00 0.00 H ATOM 662 HG21 ILE A 40 3.322 -0.444 -0.269 1.00 0.00 H ATOM 663 HG22 ILE A 40 4.685 -0.968 0.719 1.00 0.00 H ATOM 664 HG23 ILE A 40 3.531 -2.154 0.110 1.00 0.00 H ATOM 665 HD11 ILE A 40 6.208 -1.704 0.757 1.00 0.00 H ATOM 666 HD12 ILE A 40 7.603 -2.560 0.099 1.00 0.00 H ATOM 667 HD13 ILE A 40 6.221 -3.467 0.711 1.00 0.00 H ATOM 668 N ALA A 41 2.115 -0.205 -2.142 1.00 0.00 N ATOM 669 CA ALA A 41 1.263 0.960 -2.346 1.00 0.00 C ATOM 670 C ALA A 41 0.670 1.443 -1.027 1.00 0.00 C ATOM 671 O ALA A 41 -0.082 0.721 -0.371 1.00 0.00 O ATOM 672 CB ALA A 41 0.155 0.636 -3.337 1.00 0.00 C ATOM 673 H ALA A 41 1.896 -0.839 -1.428 1.00 0.00 H ATOM 674 HA ALA A 41 1.871 1.748 -2.766 1.00 0.00 H ATOM 675 HB1 ALA A 41 0.064 -0.435 -3.438 1.00 0.00 H ATOM 676 HB2 ALA A 41 0.394 1.069 -4.297 1.00 0.00 H ATOM 677 HB3 ALA A 41 -0.778 1.045 -2.980 1.00 0.00 H ATOM 678 N ILE A 42 1.013 2.668 -0.643 1.00 0.00 N ATOM 679 CA ILE A 42 0.515 3.248 0.598 1.00 0.00 C ATOM 680 C ILE A 42 -0.452 4.393 0.320 1.00 0.00 C ATOM 681 O ILE A 42 -0.206 5.229 -0.550 1.00 0.00 O ATOM 682 CB ILE A 42 1.667 3.767 1.479 1.00 0.00 C ATOM 683 CG1 ILE A 42 2.587 2.615 1.884 1.00 0.00 C ATOM 684 CG2 ILE A 42 1.117 4.472 2.710 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.537 2.967 3.008 1.00 0.00 C ATOM 686 H ILE A 42 1.616 3.195 -1.208 1.00 0.00 H ATOM 687 HA ILE A 42 -0.006 2.474 1.142 1.00 0.00 H ATOM 688 HB ILE A 42 2.233 4.486 0.906 1.00 0.00 H ATOM 689 HG12 ILE A 42 1.986 1.779 2.209 1.00 0.00 H ATOM 690 HG13 ILE A 42 3.178 2.317 1.030 1.00 0.00 H ATOM 691 HG21 ILE A 42 1.477 5.490 2.733 1.00 0.00 H ATOM 692 HG22 ILE A 42 1.446 3.954 3.598 1.00 0.00 H ATOM 693 HG23 ILE A 42 0.038 4.473 2.672 1.00 0.00 H ATOM 694 HD11 ILE A 42 3.196 2.509 3.925 1.00 0.00 H ATOM 695 HD12 ILE A 42 3.568 4.039 3.131 1.00 0.00 H ATOM 696 HD13 ILE A 42 4.526 2.604 2.771 1.00 0.00 H ATOM 697 N ILE A 43 -1.553 4.426 1.063 1.00 0.00 N ATOM 698 CA ILE A 43 -2.558 5.469 0.897 1.00 0.00 C ATOM 699 C ILE A 43 -3.018 6.009 2.246 1.00 0.00 C ATOM 700 O ILE A 43 -3.424 5.249 3.125 1.00 0.00 O ATOM 701 CB ILE A 43 -3.783 4.950 0.119 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.364 3.860 -0.869 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.473 6.095 -0.607 1.00 0.00 C ATOM 704 CD1 ILE A 43 -4.530 3.095 -1.455 1.00 0.00 C ATOM 705 H ILE A 43 -1.693 3.731 1.741 1.00 0.00 H ATOM 706 HA ILE A 43 -2.112 6.273 0.330 1.00 0.00 H ATOM 707 HB ILE A 43 -4.482 4.534 0.829 1.00 0.00 H ATOM 708 HG12 ILE A 43 -2.822 4.313 -1.685 1.00 0.00 H ATOM 709 HG13 ILE A 43 -2.722 3.153 -0.364 1.00 0.00 H ATOM 710 HG21 ILE A 43 -4.698 6.884 0.096 1.00 0.00 H ATOM 711 HG22 ILE A 43 -5.390 5.738 -1.052 1.00 0.00 H ATOM 712 HG23 ILE A 43 -3.822 6.476 -1.379 1.00 0.00 H ATOM 713 HD11 ILE A 43 -4.408 2.041 -1.252 1.00 0.00 H ATOM 714 HD12 ILE A 43 -4.566 3.255 -2.522 1.00 0.00 H ATOM 715 HD13 ILE A 43 -5.450 3.443 -1.008 1.00 0.00 H ATOM 716 N SER A 44 -2.953 7.327 2.403 1.00 0.00 N ATOM 717 CA SER A 44 -3.364 7.970 3.645 1.00 0.00 C ATOM 718 C SER A 44 -4.654 8.760 3.449 1.00 0.00 C ATOM 719 O SER A 44 -5.045 9.058 2.320 1.00 0.00 O ATOM 720 CB SER A 44 -2.258 8.896 4.155 1.00 0.00 C ATOM 721 OG SER A 44 -2.324 10.164 3.525 1.00 0.00 O ATOM 722 H SER A 44 -2.622 7.881 1.665 1.00 0.00 H ATOM 723 HA SER A 44 -3.538 7.196 4.377 1.00 0.00 H ATOM 724 HB2 SER A 44 -2.367 9.032 5.221 1.00 0.00 H ATOM 725 HB3 SER A 44 -1.296 8.453 3.945 1.00 0.00 H ATOM 726 HG SER A 44 -1.681 10.202 2.813 1.00 0.00 H ATOM 727 N ILE A 45 -5.311 9.097 4.554 1.00 0.00 N ATOM 728 CA ILE A 45 -6.556 9.852 4.503 1.00 0.00 C ATOM 729 C ILE A 45 -6.846 10.526 5.839 1.00 0.00 C ATOM 730 O ILE A 45 -7.771 10.139 6.553 1.00 0.00 O ATOM 731 CB ILE A 45 -7.747 8.949 4.129 1.00 0.00 C ATOM 732 CG1 ILE A 45 -7.479 7.507 4.566 1.00 0.00 C ATOM 733 CG2 ILE A 45 -8.011 9.014 2.632 1.00 0.00 C ATOM 734 CD1 ILE A 45 -8.685 6.828 5.177 1.00 0.00 C ATOM 735 H ILE A 45 -4.948 8.831 5.425 1.00 0.00 H ATOM 736 HA ILE A 45 -6.454 10.612 3.742 1.00 0.00 H ATOM 737 HB ILE A 45 -8.623 9.316 4.640 1.00 0.00 H ATOM 738 HG12 ILE A 45 -7.173 6.928 3.708 1.00 0.00 H ATOM 739 HG13 ILE A 45 -6.687 7.502 5.300 1.00 0.00 H ATOM 740 HG21 ILE A 45 -7.645 8.113 2.162 1.00 0.00 H ATOM 741 HG22 ILE A 45 -7.504 9.871 2.214 1.00 0.00 H ATOM 742 HG23 ILE A 45 -9.074 9.104 2.458 1.00 0.00 H ATOM 743 HD11 ILE A 45 -8.359 6.121 5.926 1.00 0.00 H ATOM 744 HD12 ILE A 45 -9.234 6.307 4.406 1.00 0.00 H ATOM 745 HD13 ILE A 45 -9.323 7.569 5.635 1.00 0.00 H ATOM 746 N LYS A 46 -6.049 11.536 6.172 1.00 0.00 N ATOM 747 CA LYS A 46 -6.220 12.265 7.423 1.00 0.00 C ATOM 748 C LYS A 46 -6.628 11.322 8.550 1.00 0.00 C ATOM 749 O LYS A 46 -7.391 11.696 9.441 1.00 0.00 O ATOM 750 CB LYS A 46 -7.270 13.365 7.258 1.00 0.00 C ATOM 751 CG LYS A 46 -7.105 14.516 8.236 1.00 0.00 C ATOM 752 CD LYS A 46 -8.263 14.583 9.219 1.00 0.00 C ATOM 753 CE LYS A 46 -9.230 15.701 8.865 1.00 0.00 C ATOM 754 NZ LYS A 46 -10.530 15.557 9.576 1.00 0.00 N ATOM 755 H LYS A 46 -5.329 11.798 5.561 1.00 0.00 H ATOM 756 HA LYS A 46 -5.273 12.719 7.675 1.00 0.00 H ATOM 757 HB2 LYS A 46 -7.205 13.761 6.255 1.00 0.00 H ATOM 758 HB3 LYS A 46 -8.251 12.935 7.403 1.00 0.00 H ATOM 759 HG2 LYS A 46 -6.187 14.379 8.787 1.00 0.00 H ATOM 760 HG3 LYS A 46 -7.060 15.443 7.682 1.00 0.00 H ATOM 761 HD2 LYS A 46 -8.794 13.643 9.199 1.00 0.00 H ATOM 762 HD3 LYS A 46 -7.872 14.757 10.210 1.00 0.00 H ATOM 763 HE2 LYS A 46 -8.783 16.646 9.139 1.00 0.00 H ATOM 764 HE3 LYS A 46 -9.407 15.683 7.800 1.00 0.00 H ATOM 765 HZ1 LYS A 46 -11.171 16.332 9.309 1.00 0.00 H ATOM 766 HZ2 LYS A 46 -10.381 15.585 10.604 1.00 0.00 H ATOM 767 HZ3 LYS A 46 -10.976 14.651 9.326 1.00 0.00 H ATOM 768 N GLY A 47 -6.114 10.097 8.505 1.00 0.00 N ATOM 769 CA GLY A 47 -6.437 9.119 9.528 1.00 0.00 C ATOM 770 C GLY A 47 -5.740 9.405 10.843 1.00 0.00 C ATOM 771 O GLY A 47 -4.961 8.586 11.331 1.00 0.00 O ATOM 772 H GLY A 47 -5.512 9.855 7.771 1.00 0.00 H ATOM 773 HA2 GLY A 47 -7.505 9.124 9.690 1.00 0.00 H ATOM 774 HA3 GLY A 47 -6.140 8.141 9.181 1.00 0.00 H ATOM 775 N THR A 48 -6.020 10.569 11.419 1.00 0.00 N ATOM 776 CA THR A 48 -5.414 10.961 12.686 1.00 0.00 C ATOM 777 C THR A 48 -3.967 11.399 12.486 1.00 0.00 C ATOM 778 O THR A 48 -3.588 12.511 12.854 1.00 0.00 O ATOM 779 CB THR A 48 -5.475 9.803 13.684 1.00 0.00 C ATOM 780 OG1 THR A 48 -6.597 8.977 13.426 1.00 0.00 O ATOM 781 CG2 THR A 48 -5.561 10.258 15.124 1.00 0.00 C ATOM 782 H THR A 48 -6.649 11.180 10.981 1.00 0.00 H ATOM 783 HA THR A 48 -5.979 11.793 13.080 1.00 0.00 H ATOM 784 HB THR A 48 -4.582 9.204 13.579 1.00 0.00 H ATOM 785 HG1 THR A 48 -6.310 8.066 13.334 1.00 0.00 H ATOM 786 HG21 THR A 48 -5.021 9.566 15.754 1.00 0.00 H ATOM 787 HG22 THR A 48 -6.596 10.291 15.430 1.00 0.00 H ATOM 788 HG23 THR A 48 -5.127 11.243 15.218 1.00 0.00 H ATOM 789 N GLN A 49 -3.164 10.518 11.899 1.00 0.00 N ATOM 790 CA GLN A 49 -1.758 10.814 11.650 1.00 0.00 C ATOM 791 C GLN A 49 -1.022 9.577 11.145 1.00 0.00 C ATOM 792 O GLN A 49 -0.025 9.154 11.729 1.00 0.00 O ATOM 793 CB GLN A 49 -1.090 11.334 12.924 1.00 0.00 C ATOM 794 CG GLN A 49 -0.839 12.833 12.912 1.00 0.00 C ATOM 795 CD GLN A 49 -0.752 13.421 14.306 1.00 0.00 C ATOM 796 OE1 GLN A 49 -1.062 14.593 14.519 1.00 0.00 O ATOM 797 NE2 GLN A 49 -0.328 12.607 15.266 1.00 0.00 N ATOM 798 H GLN A 49 -3.524 9.648 11.628 1.00 0.00 H ATOM 799 HA GLN A 49 -1.710 11.581 10.891 1.00 0.00 H ATOM 800 HB2 GLN A 49 -1.723 11.104 13.768 1.00 0.00 H ATOM 801 HB3 GLN A 49 -0.142 10.833 13.050 1.00 0.00 H ATOM 802 HG2 GLN A 49 0.091 13.025 12.398 1.00 0.00 H ATOM 803 HG3 GLN A 49 -1.648 13.316 12.383 1.00 0.00 H ATOM 804 HE21 GLN A 49 -0.098 11.686 15.024 1.00 0.00 H ATOM 805 HE22 GLN A 49 -0.262 12.961 16.178 1.00 0.00 H ATOM 806 N SER A 50 -1.522 9.001 10.056 1.00 0.00 N ATOM 807 CA SER A 50 -0.912 7.812 9.472 1.00 0.00 C ATOM 808 C SER A 50 -1.612 7.423 8.174 1.00 0.00 C ATOM 809 O SER A 50 -2.291 8.241 7.554 1.00 0.00 O ATOM 810 CB SER A 50 -0.966 6.647 10.462 1.00 0.00 C ATOM 811 OG SER A 50 0.328 6.119 10.700 1.00 0.00 O ATOM 812 H SER A 50 -2.319 9.385 9.635 1.00 0.00 H ATOM 813 HA SER A 50 0.121 8.042 9.256 1.00 0.00 H ATOM 814 HB2 SER A 50 -1.376 6.993 11.399 1.00 0.00 H ATOM 815 HB3 SER A 50 -1.593 5.865 10.061 1.00 0.00 H ATOM 816 HG SER A 50 0.989 6.732 10.372 1.00 0.00 H ATOM 817 N ASN A 51 -1.440 6.170 7.768 1.00 0.00 N ATOM 818 CA ASN A 51 -2.056 5.672 6.543 1.00 0.00 C ATOM 819 C ASN A 51 -2.172 4.151 6.571 1.00 0.00 C ATOM 820 O ASN A 51 -2.036 3.528 7.624 1.00 0.00 O ATOM 821 CB ASN A 51 -1.241 6.110 5.324 1.00 0.00 C ATOM 822 CG ASN A 51 0.077 5.369 5.213 1.00 0.00 C ATOM 823 OD1 ASN A 51 0.114 4.139 5.232 1.00 0.00 O ATOM 824 ND2 ASN A 51 1.168 6.117 5.096 1.00 0.00 N ATOM 825 H ASN A 51 -0.887 5.564 8.305 1.00 0.00 H ATOM 826 HA ASN A 51 -3.046 6.096 6.474 1.00 0.00 H ATOM 827 HB2 ASN A 51 -1.815 5.921 4.429 1.00 0.00 H ATOM 828 HB3 ASN A 51 -1.034 7.167 5.398 1.00 0.00 H ATOM 829 HD21 ASN A 51 1.063 7.091 5.089 1.00 0.00 H ATOM 830 HD22 ASN A 51 2.034 5.664 5.023 1.00 0.00 H ATOM 831 N HIS A 52 -2.426 3.560 5.408 1.00 0.00 N ATOM 832 CA HIS A 52 -2.560 2.112 5.300 1.00 0.00 C ATOM 833 C HIS A 52 -1.571 1.548 4.286 1.00 0.00 C ATOM 834 O HIS A 52 -1.713 1.757 3.082 1.00 0.00 O ATOM 835 CB HIS A 52 -3.989 1.741 4.897 1.00 0.00 C ATOM 836 CG HIS A 52 -4.991 2.815 5.187 1.00 0.00 C ATOM 837 ND1 HIS A 52 -5.212 3.316 6.453 1.00 0.00 N ATOM 838 CD2 HIS A 52 -5.834 3.485 4.367 1.00 0.00 C ATOM 839 CE1 HIS A 52 -6.148 4.247 6.398 1.00 0.00 C ATOM 840 NE2 HIS A 52 -6.541 4.369 5.144 1.00 0.00 N ATOM 841 H HIS A 52 -2.524 4.111 4.604 1.00 0.00 H ATOM 842 HA HIS A 52 -2.347 1.687 6.269 1.00 0.00 H ATOM 843 HB2 HIS A 52 -4.015 1.541 3.837 1.00 0.00 H ATOM 844 HB3 HIS A 52 -4.287 0.852 5.434 1.00 0.00 H ATOM 845 HD1 HIS A 52 -4.752 3.031 7.270 1.00 0.00 H ATOM 846 HD2 HIS A 52 -5.932 3.350 3.298 1.00 0.00 H ATOM 847 HE1 HIS A 52 -6.526 4.813 7.237 1.00 0.00 H ATOM 848 HE2 HIS A 52 -7.163 5.049 4.811 1.00 0.00 H ATOM 849 N VAL A 53 -0.567 0.832 4.782 1.00 0.00 N ATOM 850 CA VAL A 53 0.447 0.237 3.920 1.00 0.00 C ATOM 851 C VAL A 53 0.035 -1.161 3.471 1.00 0.00 C ATOM 852 O VAL A 53 -0.098 -2.072 4.288 1.00 0.00 O ATOM 853 CB VAL A 53 1.811 0.154 4.630 1.00 0.00 C ATOM 854 CG1 VAL A 53 1.771 -0.879 5.745 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.913 -0.170 3.632 1.00 0.00 C ATOM 856 H VAL A 53 -0.507 0.700 5.752 1.00 0.00 H ATOM 857 HA VAL A 53 0.555 0.867 3.049 1.00 0.00 H ATOM 858 HB VAL A 53 2.024 1.117 5.069 1.00 0.00 H ATOM 859 HG11 VAL A 53 1.822 -1.870 5.320 1.00 0.00 H ATOM 860 HG12 VAL A 53 0.851 -0.772 6.302 1.00 0.00 H ATOM 861 HG13 VAL A 53 2.611 -0.727 6.407 1.00 0.00 H ATOM 862 HG21 VAL A 53 3.447 -1.050 3.959 1.00 0.00 H ATOM 863 HG22 VAL A 53 3.597 0.663 3.569 1.00 0.00 H ATOM 864 HG23 VAL A 53 2.477 -0.352 2.661 1.00 0.00 H ATOM 865 N LEU A 54 -0.166 -1.323 2.167 1.00 0.00 N ATOM 866 CA LEU A 54 -0.563 -2.610 1.609 1.00 0.00 C ATOM 867 C LEU A 54 0.570 -3.221 0.791 1.00 0.00 C ATOM 868 O LEU A 54 1.455 -2.513 0.312 1.00 0.00 O ATOM 869 CB LEU A 54 -1.809 -2.449 0.736 1.00 0.00 C ATOM 870 CG LEU A 54 -3.137 -2.456 1.495 1.00 0.00 C ATOM 871 CD1 LEU A 54 -4.304 -2.581 0.528 1.00 0.00 C ATOM 872 CD2 LEU A 54 -3.163 -3.587 2.512 1.00 0.00 C ATOM 873 H LEU A 54 -0.045 -0.559 1.566 1.00 0.00 H ATOM 874 HA LEU A 54 -0.794 -3.271 2.432 1.00 0.00 H ATOM 875 HB2 LEU A 54 -1.729 -1.515 0.200 1.00 0.00 H ATOM 876 HB3 LEU A 54 -1.827 -3.256 0.019 1.00 0.00 H ATOM 877 HG LEU A 54 -3.244 -1.523 2.028 1.00 0.00 H ATOM 878 HD11 LEU A 54 -4.220 -3.507 -0.021 1.00 0.00 H ATOM 879 HD12 LEU A 54 -4.289 -1.751 -0.163 1.00 0.00 H ATOM 880 HD13 LEU A 54 -5.232 -2.572 1.080 1.00 0.00 H ATOM 881 HD21 LEU A 54 -2.885 -3.204 3.483 1.00 0.00 H ATOM 882 HD22 LEU A 54 -2.463 -4.355 2.215 1.00 0.00 H ATOM 883 HD23 LEU A 54 -4.157 -4.005 2.561 1.00 0.00 H ATOM 884 N PHE A 55 0.535 -4.541 0.635 1.00 0.00 N ATOM 885 CA PHE A 55 1.560 -5.247 -0.125 1.00 0.00 C ATOM 886 C PHE A 55 1.001 -5.753 -1.451 1.00 0.00 C ATOM 887 O PHE A 55 0.216 -6.701 -1.484 1.00 0.00 O ATOM 888 CB PHE A 55 2.112 -6.419 0.689 1.00 0.00 C ATOM 889 CG PHE A 55 3.375 -7.002 0.121 1.00 0.00 C ATOM 890 CD1 PHE A 55 4.407 -6.177 -0.296 1.00 0.00 C ATOM 891 CD2 PHE A 55 3.529 -8.374 0.005 1.00 0.00 C ATOM 892 CE1 PHE A 55 5.570 -6.710 -0.818 1.00 0.00 C ATOM 893 CE2 PHE A 55 4.689 -8.913 -0.517 1.00 0.00 C ATOM 894 CZ PHE A 55 5.711 -8.080 -0.929 1.00 0.00 C ATOM 895 H PHE A 55 -0.196 -5.051 1.041 1.00 0.00 H ATOM 896 HA PHE A 55 2.360 -4.552 -0.328 1.00 0.00 H ATOM 897 HB2 PHE A 55 2.324 -6.082 1.693 1.00 0.00 H ATOM 898 HB3 PHE A 55 1.370 -7.203 0.726 1.00 0.00 H ATOM 899 HD1 PHE A 55 4.298 -5.106 -0.209 1.00 0.00 H ATOM 900 HD2 PHE A 55 2.730 -9.026 0.327 1.00 0.00 H ATOM 901 HE1 PHE A 55 6.368 -6.057 -1.140 1.00 0.00 H ATOM 902 HE2 PHE A 55 4.797 -9.984 -0.603 1.00 0.00 H ATOM 903 HZ PHE A 55 6.619 -8.499 -1.337 1.00 0.00 H ATOM 904 N LEU A 56 1.410 -5.115 -2.542 1.00 0.00 N ATOM 905 CA LEU A 56 0.950 -5.500 -3.871 1.00 0.00 C ATOM 906 C LEU A 56 1.658 -6.765 -4.346 1.00 0.00 C ATOM 907 O LEU A 56 2.701 -6.698 -4.996 1.00 0.00 O ATOM 908 CB LEU A 56 1.190 -4.364 -4.867 1.00 0.00 C ATOM 909 CG LEU A 56 0.599 -3.012 -4.462 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.927 -1.953 -5.502 1.00 0.00 C ATOM 911 CD2 LEU A 56 -0.906 -3.126 -4.270 1.00 0.00 C ATOM 912 H LEU A 56 2.036 -4.367 -2.452 1.00 0.00 H ATOM 913 HA LEU A 56 -0.110 -5.696 -3.811 1.00 0.00 H ATOM 914 HB2 LEU A 56 2.257 -4.244 -4.993 1.00 0.00 H ATOM 915 HB3 LEU A 56 0.762 -4.648 -5.816 1.00 0.00 H ATOM 916 HG LEU A 56 1.034 -2.703 -3.522 1.00 0.00 H ATOM 917 HD11 LEU A 56 0.555 -0.995 -5.170 1.00 0.00 H ATOM 918 HD12 LEU A 56 0.462 -2.214 -6.441 1.00 0.00 H ATOM 919 HD13 LEU A 56 1.998 -1.897 -5.634 1.00 0.00 H ATOM 920 HD21 LEU A 56 -1.295 -2.185 -3.911 1.00 0.00 H ATOM 921 HD22 LEU A 56 -1.120 -3.903 -3.551 1.00 0.00 H ATOM 922 HD23 LEU A 56 -1.371 -3.372 -5.214 1.00 0.00 H ATOM 923 N SER A 57 1.082 -7.918 -4.018 1.00 0.00 N ATOM 924 CA SER A 57 1.658 -9.199 -4.411 1.00 0.00 C ATOM 925 C SER A 57 1.786 -9.295 -5.928 1.00 0.00 C ATOM 926 O SER A 57 2.893 -9.320 -6.467 1.00 0.00 O ATOM 927 CB SER A 57 0.798 -10.350 -3.887 1.00 0.00 C ATOM 928 OG SER A 57 1.480 -11.079 -2.881 1.00 0.00 O ATOM 929 H SER A 57 0.251 -7.906 -3.499 1.00 0.00 H ATOM 930 HA SER A 57 2.642 -9.268 -3.973 1.00 0.00 H ATOM 931 HB2 SER A 57 -0.115 -9.954 -3.469 1.00 0.00 H ATOM 932 HB3 SER A 57 0.561 -11.019 -4.701 1.00 0.00 H ATOM 933 HG SER A 57 1.650 -11.972 -3.192 1.00 0.00 H ATOM 934 N SER A 58 0.648 -9.347 -6.611 1.00 0.00 N ATOM 935 CA SER A 58 0.633 -9.440 -8.066 1.00 0.00 C ATOM 936 C SER A 58 -0.426 -8.517 -8.660 1.00 0.00 C ATOM 937 O SER A 58 -1.625 -8.745 -8.496 1.00 0.00 O ATOM 938 CB SER A 58 0.371 -10.883 -8.503 1.00 0.00 C ATOM 939 OG SER A 58 1.437 -11.377 -9.296 1.00 0.00 O ATOM 940 H SER A 58 -0.203 -9.323 -6.125 1.00 0.00 H ATOM 941 HA SER A 58 1.603 -9.135 -8.427 1.00 0.00 H ATOM 942 HB2 SER A 58 0.269 -11.509 -7.629 1.00 0.00 H ATOM 943 HB3 SER A 58 -0.540 -10.921 -9.082 1.00 0.00 H ATOM 944 HG SER A 58 2.023 -11.907 -8.750 1.00 0.00 H ATOM 945 N TYR A 59 0.025 -7.474 -9.349 1.00 0.00 N ATOM 946 CA TYR A 59 -0.884 -6.515 -9.967 1.00 0.00 C ATOM 947 C TYR A 59 -0.853 -6.638 -11.487 1.00 0.00 C ATOM 948 O TYR A 59 0.187 -6.438 -12.115 1.00 0.00 O ATOM 949 CB TYR A 59 -0.515 -5.090 -9.551 1.00 0.00 C ATOM 950 CG TYR A 59 -1.706 -4.165 -9.435 1.00 0.00 C ATOM 951 CD1 TYR A 59 -2.441 -4.093 -8.259 1.00 0.00 C ATOM 952 CD2 TYR A 59 -2.094 -3.364 -10.502 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.530 -3.249 -8.149 1.00 0.00 C ATOM 954 CE2 TYR A 59 -3.181 -2.518 -10.400 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.896 -2.464 -9.222 1.00 0.00 C ATOM 956 OH TYR A 59 -4.979 -1.622 -9.117 1.00 0.00 O ATOM 957 H TYR A 59 0.992 -7.346 -9.444 1.00 0.00 H ATOM 958 HA TYR A 59 -1.882 -6.735 -9.620 1.00 0.00 H ATOM 959 HB2 TYR A 59 -0.023 -5.119 -8.590 1.00 0.00 H ATOM 960 HB3 TYR A 59 0.161 -4.673 -10.284 1.00 0.00 H ATOM 961 HD1 TYR A 59 -2.152 -4.709 -7.420 1.00 0.00 H ATOM 962 HD2 TYR A 59 -1.532 -3.409 -11.424 1.00 0.00 H ATOM 963 HE1 TYR A 59 -4.090 -3.207 -7.226 1.00 0.00 H ATOM 964 HE2 TYR A 59 -3.467 -1.903 -11.241 1.00 0.00 H ATOM 965 HH TYR A 59 -5.273 -1.590 -8.203 1.00 0.00 H ATOM 966 N ASN A 60 -1.999 -6.969 -12.072 1.00 0.00 N ATOM 967 CA ASN A 60 -2.103 -7.118 -13.519 1.00 0.00 C ATOM 968 C ASN A 60 -2.587 -5.824 -14.166 1.00 0.00 C ATOM 969 O ASN A 60 -1.784 -4.979 -14.561 1.00 0.00 O ATOM 970 CB ASN A 60 -3.056 -8.263 -13.867 1.00 0.00 C ATOM 971 CG ASN A 60 -2.483 -9.621 -13.511 1.00 0.00 C ATOM 972 OD1 ASN A 60 -1.934 -9.810 -12.425 1.00 0.00 O ATOM 973 ND2 ASN A 60 -2.607 -10.575 -14.427 1.00 0.00 N ATOM 974 H ASN A 60 -2.794 -7.116 -11.518 1.00 0.00 H ATOM 975 HA ASN A 60 -1.120 -7.351 -13.900 1.00 0.00 H ATOM 976 HB2 ASN A 60 -3.981 -8.131 -13.326 1.00 0.00 H ATOM 977 HB3 ASN A 60 -3.258 -8.245 -14.928 1.00 0.00 H ATOM 978 HD21 ASN A 60 -3.055 -10.352 -15.269 1.00 0.00 H ATOM 979 HD22 ASN A 60 -2.246 -11.462 -14.222 1.00 0.00 H ATOM 980 N SER A 61 -3.903 -5.678 -14.271 1.00 0.00 N ATOM 981 CA SER A 61 -4.494 -4.487 -14.870 1.00 0.00 C ATOM 982 C SER A 61 -5.986 -4.685 -15.119 1.00 0.00 C ATOM 983 O SER A 61 -6.453 -4.596 -16.254 1.00 0.00 O ATOM 984 CB SER A 61 -3.787 -4.147 -16.184 1.00 0.00 C ATOM 985 OG SER A 61 -3.016 -5.242 -16.647 1.00 0.00 O ATOM 986 H SER A 61 -4.492 -6.387 -13.938 1.00 0.00 H ATOM 987 HA SER A 61 -4.362 -3.668 -14.179 1.00 0.00 H ATOM 988 HB2 SER A 61 -4.524 -3.900 -16.934 1.00 0.00 H ATOM 989 HB3 SER A 61 -3.133 -3.301 -16.030 1.00 0.00 H ATOM 990 HG SER A 61 -3.463 -5.658 -17.387 1.00 0.00 H ATOM 991 N VAL A 62 -6.728 -4.955 -14.050 1.00 0.00 N ATOM 992 CA VAL A 62 -8.166 -5.166 -14.152 1.00 0.00 C ATOM 993 C VAL A 62 -8.903 -4.508 -12.990 1.00 0.00 C ATOM 994 O VAL A 62 -8.460 -4.576 -11.844 1.00 0.00 O ATOM 995 CB VAL A 62 -8.514 -6.666 -14.180 1.00 0.00 C ATOM 996 CG1 VAL A 62 -7.629 -7.402 -15.174 1.00 0.00 C ATOM 997 CG2 VAL A 62 -8.383 -7.270 -12.790 1.00 0.00 C ATOM 998 H VAL A 62 -6.297 -5.013 -13.172 1.00 0.00 H ATOM 999 HA VAL A 62 -8.504 -4.722 -15.078 1.00 0.00 H ATOM 1000 HB VAL A 62 -9.540 -6.772 -14.500 1.00 0.00 H ATOM 1001 HG11 VAL A 62 -7.570 -6.835 -16.092 1.00 0.00 H ATOM 1002 HG12 VAL A 62 -8.049 -8.375 -15.379 1.00 0.00 H ATOM 1003 HG13 VAL A 62 -6.639 -7.518 -14.759 1.00 0.00 H ATOM 1004 HG21 VAL A 62 -7.373 -7.137 -12.433 1.00 0.00 H ATOM 1005 HG22 VAL A 62 -8.614 -8.324 -12.833 1.00 0.00 H ATOM 1006 HG23 VAL A 62 -9.070 -6.778 -12.118 1.00 0.00 H ATOM 1007 N ASP A 63 -10.028 -3.871 -13.295 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.826 -3.200 -12.275 1.00 0.00 C ATOM 1009 C ASP A 63 -10.825 -3.994 -10.973 1.00 0.00 C ATOM 1010 O ASP A 63 -10.765 -3.421 -9.885 1.00 0.00 O ATOM 1011 CB ASP A 63 -12.262 -3.007 -12.767 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.455 -1.685 -13.484 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -11.486 -0.901 -13.555 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.576 -1.435 -13.976 1.00 0.00 O ATOM 1015 H ASP A 63 -10.330 -3.851 -14.227 1.00 0.00 H ATOM 1016 HA ASP A 63 -10.385 -2.231 -12.093 1.00 0.00 H ATOM 1017 HB2 ASP A 63 -12.513 -3.805 -13.449 1.00 0.00 H ATOM 1018 HB3 ASP A 63 -12.933 -3.038 -11.921 1.00 0.00 H ATOM 1019 N GLU A 64 -10.891 -5.316 -11.092 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.897 -6.188 -9.924 1.00 0.00 C ATOM 1021 C GLU A 64 -9.872 -5.725 -8.893 1.00 0.00 C ATOM 1022 O GLU A 64 -10.175 -5.625 -7.704 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.604 -7.632 -10.338 1.00 0.00 C ATOM 1024 CG GLU A 64 -10.978 -8.656 -9.280 1.00 0.00 C ATOM 1025 CD GLU A 64 -11.221 -10.035 -9.862 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -12.158 -10.179 -10.675 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -10.473 -10.970 -9.507 1.00 0.00 O ATOM 1028 H GLU A 64 -10.937 -5.714 -11.986 1.00 0.00 H ATOM 1029 HA GLU A 64 -11.881 -6.143 -9.481 1.00 0.00 H ATOM 1030 HB2 GLU A 64 -11.159 -7.856 -11.237 1.00 0.00 H ATOM 1031 HB3 GLU A 64 -9.548 -7.728 -10.545 1.00 0.00 H ATOM 1032 HG2 GLU A 64 -10.174 -8.723 -8.562 1.00 0.00 H ATOM 1033 HG3 GLU A 64 -11.878 -8.328 -8.781 1.00 0.00 H ATOM 1034 N ILE A 65 -8.659 -5.444 -9.357 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.590 -4.991 -8.476 1.00 0.00 C ATOM 1036 C ILE A 65 -7.720 -3.502 -8.175 1.00 0.00 C ATOM 1037 O ILE A 65 -7.416 -3.053 -7.069 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.203 -5.259 -9.091 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.214 -4.941 -10.587 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.789 -6.703 -8.853 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -4.830 -4.803 -11.185 1.00 0.00 C ATOM 1042 H ILE A 65 -8.479 -5.543 -10.316 1.00 0.00 H ATOM 1043 HA ILE A 65 -7.664 -5.543 -7.551 1.00 0.00 H ATOM 1044 HB ILE A 65 -5.486 -4.619 -8.599 1.00 0.00 H ATOM 1045 HG12 ILE A 65 -6.724 -5.733 -11.114 1.00 0.00 H ATOM 1046 HG13 ILE A 65 -6.740 -4.011 -10.747 1.00 0.00 H ATOM 1047 HG21 ILE A 65 -4.830 -6.884 -9.317 1.00 0.00 H ATOM 1048 HG22 ILE A 65 -6.526 -7.365 -9.283 1.00 0.00 H ATOM 1049 HG23 ILE A 65 -5.716 -6.887 -7.792 1.00 0.00 H ATOM 1050 HD11 ILE A 65 -4.759 -3.863 -11.713 1.00 0.00 H ATOM 1051 HD12 ILE A 65 -4.653 -5.616 -11.872 1.00 0.00 H ATOM 1052 HD13 ILE A 65 -4.093 -4.830 -10.396 1.00 0.00 H ATOM 1053 N ARG A 66 -8.173 -2.740 -9.165 1.00 0.00 N ATOM 1054 CA ARG A 66 -8.343 -1.301 -9.006 1.00 0.00 C ATOM 1055 C ARG A 66 -9.384 -0.991 -7.934 1.00 0.00 C ATOM 1056 O ARG A 66 -9.180 -0.116 -7.092 1.00 0.00 O ATOM 1057 CB ARG A 66 -8.758 -0.665 -10.334 1.00 0.00 C ATOM 1058 CG ARG A 66 -8.465 0.824 -10.413 1.00 0.00 C ATOM 1059 CD ARG A 66 -8.491 1.322 -11.849 1.00 0.00 C ATOM 1060 NE ARG A 66 -9.026 2.677 -11.950 1.00 0.00 N ATOM 1061 CZ ARG A 66 -10.325 2.956 -11.971 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -11.217 1.977 -11.899 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -10.733 4.214 -12.064 1.00 0.00 N ATOM 1064 H ARG A 66 -8.399 -3.156 -10.023 1.00 0.00 H ATOM 1065 HA ARG A 66 -7.394 -0.887 -8.700 1.00 0.00 H ATOM 1066 HB2 ARG A 66 -8.228 -1.157 -11.136 1.00 0.00 H ATOM 1067 HB3 ARG A 66 -9.819 -0.809 -10.473 1.00 0.00 H ATOM 1068 HG2 ARG A 66 -9.212 1.359 -9.845 1.00 0.00 H ATOM 1069 HG3 ARG A 66 -7.488 1.012 -9.994 1.00 0.00 H ATOM 1070 HD2 ARG A 66 -7.484 1.313 -12.238 1.00 0.00 H ATOM 1071 HD3 ARG A 66 -9.108 0.657 -12.436 1.00 0.00 H ATOM 1072 HE ARG A 66 -8.384 3.415 -12.004 1.00 0.00 H ATOM 1073 HH11 ARG A 66 -10.912 1.027 -11.828 1.00 0.00 H ATOM 1074 HH12 ARG A 66 -12.194 2.189 -11.915 1.00 0.00 H ATOM 1075 HH21 ARG A 66 -10.063 4.955 -12.118 1.00 0.00 H ATOM 1076 HH22 ARG A 66 -11.711 4.422 -12.080 1.00 0.00 H ATOM 1077 N LYS A 67 -10.498 -1.714 -7.972 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.570 -1.517 -7.003 1.00 0.00 C ATOM 1079 C LYS A 67 -11.098 -1.852 -5.592 1.00 0.00 C ATOM 1080 O LYS A 67 -11.328 -1.090 -4.653 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.779 -2.381 -7.367 1.00 0.00 C ATOM 1082 CG LYS A 67 -14.014 -1.574 -7.735 1.00 0.00 C ATOM 1083 CD LYS A 67 -15.019 -2.416 -8.505 1.00 0.00 C ATOM 1084 CE LYS A 67 -16.420 -1.831 -8.414 1.00 0.00 C ATOM 1085 NZ LYS A 67 -17.451 -2.888 -8.220 1.00 0.00 N ATOM 1086 H LYS A 67 -10.601 -2.397 -8.667 1.00 0.00 H ATOM 1087 HA LYS A 67 -11.859 -0.477 -7.036 1.00 0.00 H ATOM 1088 HB2 LYS A 67 -12.520 -3.006 -8.208 1.00 0.00 H ATOM 1089 HB3 LYS A 67 -13.025 -3.009 -6.524 1.00 0.00 H ATOM 1090 HG2 LYS A 67 -14.480 -1.214 -6.830 1.00 0.00 H ATOM 1091 HG3 LYS A 67 -13.715 -0.736 -8.347 1.00 0.00 H ATOM 1092 HD2 LYS A 67 -14.723 -2.454 -9.542 1.00 0.00 H ATOM 1093 HD3 LYS A 67 -15.028 -3.414 -8.094 1.00 0.00 H ATOM 1094 HE2 LYS A 67 -16.457 -1.147 -7.580 1.00 0.00 H ATOM 1095 HE3 LYS A 67 -16.632 -1.296 -9.328 1.00 0.00 H ATOM 1096 HZ1 LYS A 67 -18.133 -2.592 -7.493 1.00 0.00 H ATOM 1097 HZ2 LYS A 67 -17.002 -3.775 -7.918 1.00 0.00 H ATOM 1098 HZ3 LYS A 67 -17.961 -3.057 -9.111 1.00 0.00 H ATOM 1099 N GLU A 68 -10.435 -2.995 -5.451 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.930 -3.430 -4.155 1.00 0.00 C ATOM 1101 C GLU A 68 -9.182 -2.300 -3.454 1.00 0.00 C ATOM 1102 O GLU A 68 -9.546 -1.892 -2.351 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.008 -4.640 -4.323 1.00 0.00 C ATOM 1104 CG GLU A 68 -8.976 -5.554 -3.109 1.00 0.00 C ATOM 1105 CD GLU A 68 -9.037 -7.022 -3.484 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -7.968 -7.613 -3.746 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -10.154 -7.580 -3.516 1.00 0.00 O ATOM 1108 H GLU A 68 -10.282 -3.559 -6.238 1.00 0.00 H ATOM 1109 HA GLU A 68 -10.776 -3.716 -3.548 1.00 0.00 H ATOM 1110 HB2 GLU A 68 -9.341 -5.216 -5.173 1.00 0.00 H ATOM 1111 HB3 GLU A 68 -8.003 -4.289 -4.509 1.00 0.00 H ATOM 1112 HG2 GLU A 68 -8.061 -5.376 -2.564 1.00 0.00 H ATOM 1113 HG3 GLU A 68 -9.821 -5.322 -2.478 1.00 0.00 H ATOM 1114 N LEU A 69 -8.136 -1.799 -4.102 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.337 -0.715 -3.542 1.00 0.00 C ATOM 1116 C LEU A 69 -8.221 0.463 -3.144 1.00 0.00 C ATOM 1117 O LEU A 69 -8.428 0.723 -1.959 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.281 -0.258 -4.550 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.893 -0.002 -3.961 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.328 -1.276 -3.352 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.955 0.542 -5.029 1.00 0.00 C ATOM 1122 H LEU A 69 -7.895 -2.166 -4.979 1.00 0.00 H ATOM 1123 HA LEU A 69 -6.841 -1.092 -2.660 1.00 0.00 H ATOM 1124 HB2 LEU A 69 -6.192 -1.016 -5.314 1.00 0.00 H ATOM 1125 HB3 LEU A 69 -6.625 0.655 -5.011 1.00 0.00 H ATOM 1126 HG LEU A 69 -4.972 0.737 -3.177 1.00 0.00 H ATOM 1127 HD11 LEU A 69 -4.960 -1.595 -2.537 1.00 0.00 H ATOM 1128 HD12 LEU A 69 -3.331 -1.087 -2.982 1.00 0.00 H ATOM 1129 HD13 LEU A 69 -4.292 -2.049 -4.105 1.00 0.00 H ATOM 1130 HD21 LEU A 69 -4.484 1.254 -5.645 1.00 0.00 H ATOM 1131 HD22 LEU A 69 -3.599 -0.271 -5.644 1.00 0.00 H ATOM 1132 HD23 LEU A 69 -3.115 1.030 -4.556 1.00 0.00 H ATOM 1133 N GLU A 70 -8.739 1.171 -4.142 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.600 2.321 -3.897 1.00 0.00 C ATOM 1135 C GLU A 70 -10.522 2.067 -2.708 1.00 0.00 C ATOM 1136 O GLU A 70 -10.899 2.995 -1.993 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.431 2.638 -5.142 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.443 4.114 -5.505 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.912 4.361 -6.925 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -10.074 4.287 -7.849 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -12.118 4.629 -7.115 1.00 0.00 O ATOM 1142 H GLU A 70 -8.537 0.914 -5.066 1.00 0.00 H ATOM 1143 HA GLU A 70 -8.968 3.167 -3.672 1.00 0.00 H ATOM 1144 HB2 GLU A 70 -10.028 2.087 -5.979 1.00 0.00 H ATOM 1145 HB3 GLU A 70 -11.449 2.323 -4.971 1.00 0.00 H ATOM 1146 HG2 GLU A 70 -11.106 4.633 -4.829 1.00 0.00 H ATOM 1147 HG3 GLU A 70 -9.442 4.506 -5.398 1.00 0.00 H ATOM 1148 N GLU A 71 -10.881 0.804 -2.504 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.759 0.427 -1.402 1.00 0.00 C ATOM 1150 C GLU A 71 -11.055 0.607 -0.061 1.00 0.00 C ATOM 1151 O GLU A 71 -11.630 1.144 0.886 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.217 -1.024 -1.560 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.690 -1.162 -1.906 1.00 0.00 C ATOM 1154 CD GLU A 71 -14.063 -2.574 -2.314 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -14.290 -3.411 -1.416 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -14.128 -2.843 -3.532 1.00 0.00 O ATOM 1157 H GLU A 71 -10.548 0.108 -3.109 1.00 0.00 H ATOM 1158 HA GLU A 71 -12.623 1.073 -1.431 1.00 0.00 H ATOM 1159 HB2 GLU A 71 -11.640 -1.488 -2.347 1.00 0.00 H ATOM 1160 HB3 GLU A 71 -12.036 -1.550 -0.635 1.00 0.00 H ATOM 1161 HG2 GLU A 71 -14.277 -0.887 -1.043 1.00 0.00 H ATOM 1162 HG3 GLU A 71 -13.919 -0.494 -2.724 1.00 0.00 H ATOM 1163 N ALA A 72 -9.808 0.153 0.013 1.00 0.00 N ATOM 1164 CA ALA A 72 -9.026 0.264 1.239 1.00 0.00 C ATOM 1165 C ALA A 72 -8.293 1.600 1.303 1.00 0.00 C ATOM 1166 O ALA A 72 -7.423 1.801 2.150 1.00 0.00 O ATOM 1167 CB ALA A 72 -8.038 -0.888 1.339 1.00 0.00 C ATOM 1168 H ALA A 72 -9.404 -0.266 -0.775 1.00 0.00 H ATOM 1169 HA ALA A 72 -9.707 0.198 2.075 1.00 0.00 H ATOM 1170 HB1 ALA A 72 -8.565 -1.792 1.607 1.00 0.00 H ATOM 1171 HB2 ALA A 72 -7.300 -0.664 2.095 1.00 0.00 H ATOM 1172 HB3 ALA A 72 -7.548 -1.026 0.387 1.00 0.00 H ATOM 1173 N GLY A 73 -8.652 2.510 0.403 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.018 3.815 0.375 1.00 0.00 C ATOM 1175 C GLY A 73 -8.840 4.874 1.083 1.00 0.00 C ATOM 1176 O GLY A 73 -8.351 5.542 1.994 1.00 0.00 O ATOM 1177 H GLY A 73 -9.352 2.293 -0.247 1.00 0.00 H ATOM 1178 HA2 GLY A 73 -7.053 3.744 0.854 1.00 0.00 H ATOM 1179 HA3 GLY A 73 -7.877 4.112 -0.653 1.00 0.00 H ATOM 1180 N ALA A 74 -10.091 5.027 0.663 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.983 6.013 1.263 1.00 0.00 C ATOM 1182 C ALA A 74 -12.411 5.485 1.341 1.00 0.00 C ATOM 1183 O ALA A 74 -13.350 6.240 1.593 1.00 0.00 O ATOM 1184 CB ALA A 74 -10.941 7.312 0.472 1.00 0.00 C ATOM 1185 H ALA A 74 -10.423 4.464 -0.067 1.00 0.00 H ATOM 1186 HA ALA A 74 -10.630 6.216 2.263 1.00 0.00 H ATOM 1187 HB1 ALA A 74 -10.689 8.128 1.133 1.00 0.00 H ATOM 1188 HB2 ALA A 74 -11.908 7.494 0.027 1.00 0.00 H ATOM 1189 HB3 ALA A 74 -10.196 7.236 -0.306 1.00 0.00 H ATOM 1190 N LYS A 75 -12.568 4.183 1.123 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.883 3.554 1.169 1.00 0.00 C ATOM 1192 C LYS A 75 -14.114 2.873 2.514 1.00 0.00 C ATOM 1193 O LYS A 75 -13.527 3.259 3.525 1.00 0.00 O ATOM 1194 CB LYS A 75 -14.023 2.533 0.038 1.00 0.00 C ATOM 1195 CG LYS A 75 -15.339 2.636 -0.714 1.00 0.00 C ATOM 1196 CD LYS A 75 -15.983 1.271 -0.898 1.00 0.00 C ATOM 1197 CE LYS A 75 -16.087 0.898 -2.368 1.00 0.00 C ATOM 1198 NZ LYS A 75 -17.418 1.248 -2.938 1.00 0.00 N ATOM 1199 H LYS A 75 -11.781 3.633 0.927 1.00 0.00 H ATOM 1200 HA LYS A 75 -14.625 4.327 1.038 1.00 0.00 H ATOM 1201 HB2 LYS A 75 -13.218 2.682 -0.667 1.00 0.00 H ATOM 1202 HB3 LYS A 75 -13.947 1.539 0.453 1.00 0.00 H ATOM 1203 HG2 LYS A 75 -16.014 3.268 -0.156 1.00 0.00 H ATOM 1204 HG3 LYS A 75 -15.155 3.071 -1.686 1.00 0.00 H ATOM 1205 HD2 LYS A 75 -15.385 0.530 -0.391 1.00 0.00 H ATOM 1206 HD3 LYS A 75 -16.975 1.291 -0.470 1.00 0.00 H ATOM 1207 HE2 LYS A 75 -15.322 1.427 -2.916 1.00 0.00 H ATOM 1208 HE3 LYS A 75 -15.930 -0.166 -2.468 1.00 0.00 H ATOM 1209 HZ1 LYS A 75 -18.175 0.821 -2.366 1.00 0.00 H ATOM 1210 HZ2 LYS A 75 -17.494 0.894 -3.912 1.00 0.00 H ATOM 1211 HZ3 LYS A 75 -17.543 2.280 -2.945 1.00 0.00 H ATOM 1212 N ILE A 76 -14.972 1.858 2.519 1.00 0.00 N ATOM 1213 CA ILE A 76 -15.280 1.124 3.740 1.00 0.00 C ATOM 1214 C ILE A 76 -14.046 0.991 4.627 1.00 0.00 C ATOM 1215 O ILE A 76 -12.939 0.768 4.138 1.00 0.00 O ATOM 1216 CB ILE A 76 -15.827 -0.282 3.428 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -17.086 -0.183 2.565 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -16.118 -1.035 4.717 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -17.746 -1.520 2.304 1.00 0.00 C ATOM 1220 H ILE A 76 -15.408 1.597 1.681 1.00 0.00 H ATOM 1221 HA ILE A 76 -16.040 1.673 4.277 1.00 0.00 H ATOM 1222 HB ILE A 76 -15.069 -0.827 2.885 1.00 0.00 H ATOM 1223 HG12 ILE A 76 -17.806 0.450 3.062 1.00 0.00 H ATOM 1224 HG13 ILE A 76 -16.828 0.252 1.611 1.00 0.00 H ATOM 1225 HG21 ILE A 76 -15.333 -1.753 4.900 1.00 0.00 H ATOM 1226 HG22 ILE A 76 -17.063 -1.551 4.627 1.00 0.00 H ATOM 1227 HG23 ILE A 76 -16.166 -0.337 5.539 1.00 0.00 H ATOM 1228 HD11 ILE A 76 -17.077 -2.315 2.597 1.00 0.00 H ATOM 1229 HD12 ILE A 76 -17.974 -1.609 1.252 1.00 0.00 H ATOM 1230 HD13 ILE A 76 -18.659 -1.589 2.877 1.00 0.00 H ATOM 1231 N ASN A 77 -14.246 1.128 5.934 1.00 0.00 N ATOM 1232 CA ASN A 77 -13.150 1.023 6.890 1.00 0.00 C ATOM 1233 C ASN A 77 -13.064 -0.386 7.467 1.00 0.00 C ATOM 1234 O ASN A 77 -14.079 -0.983 7.829 1.00 0.00 O ATOM 1235 CB ASN A 77 -13.331 2.039 8.019 1.00 0.00 C ATOM 1236 CG ASN A 77 -14.737 2.027 8.587 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -15.541 1.152 8.267 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -15.040 3.001 9.437 1.00 0.00 N ATOM 1239 H ASN A 77 -15.152 1.304 6.263 1.00 0.00 H ATOM 1240 HA ASN A 77 -12.231 1.241 6.366 1.00 0.00 H ATOM 1241 HB2 ASN A 77 -12.639 1.810 8.816 1.00 0.00 H ATOM 1242 HB3 ASN A 77 -13.124 3.029 7.641 1.00 0.00 H ATOM 1243 HD21 ASN A 77 -14.349 3.664 9.646 1.00 0.00 H ATOM 1244 HD22 ASN A 77 -15.942 3.018 9.820 1.00 0.00 H ATOM 1245 N HIS A 78 -11.847 -0.913 7.550 1.00 0.00 N ATOM 1246 CA HIS A 78 -11.629 -2.253 8.083 1.00 0.00 C ATOM 1247 C HIS A 78 -11.313 -2.200 9.575 1.00 0.00 C ATOM 1248 O HIS A 78 -10.532 -1.361 10.024 1.00 0.00 O ATOM 1249 CB HIS A 78 -10.489 -2.944 7.333 1.00 0.00 C ATOM 1250 CG HIS A 78 -10.182 -2.322 6.006 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -9.362 -1.223 5.861 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -10.591 -2.651 4.758 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -9.280 -0.903 4.582 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -10.016 -1.754 3.892 1.00 0.00 N ATOM 1255 H HIS A 78 -11.077 -0.389 7.245 1.00 0.00 H ATOM 1256 HA HIS A 78 -12.537 -2.819 7.940 1.00 0.00 H ATOM 1257 HB2 HIS A 78 -9.593 -2.900 7.934 1.00 0.00 H ATOM 1258 HB3 HIS A 78 -10.753 -3.977 7.164 1.00 0.00 H ATOM 1259 HD1 HIS A 78 -8.907 -0.748 6.588 1.00 0.00 H ATOM 1260 HD2 HIS A 78 -11.247 -3.468 4.492 1.00 0.00 H ATOM 1261 HE1 HIS A 78 -8.707 -0.084 4.170 1.00 0.00 H ATOM 1262 HE2 HIS A 78 -10.199 -1.692 2.931 1.00 0.00 H ATOM 1263 N THR A 79 -11.925 -3.101 10.336 1.00 0.00 N ATOM 1264 CA THR A 79 -11.709 -3.156 11.777 1.00 0.00 C ATOM 1265 C THR A 79 -11.489 -4.593 12.241 1.00 0.00 C ATOM 1266 O THR A 79 -11.514 -4.880 13.438 1.00 0.00 O ATOM 1267 CB THR A 79 -12.900 -2.546 12.517 1.00 0.00 C ATOM 1268 OG1 THR A 79 -12.698 -2.592 13.918 1.00 0.00 O ATOM 1269 CG2 THR A 79 -14.210 -3.244 12.219 1.00 0.00 C ATOM 1270 H THR A 79 -12.536 -3.743 9.920 1.00 0.00 H ATOM 1271 HA THR A 79 -10.824 -2.580 12.002 1.00 0.00 H ATOM 1272 HB THR A 79 -13.002 -1.512 12.222 1.00 0.00 H ATOM 1273 HG1 THR A 79 -13.241 -1.923 14.342 1.00 0.00 H ATOM 1274 HG21 THR A 79 -14.193 -3.627 11.210 1.00 0.00 H ATOM 1275 HG22 THR A 79 -15.024 -2.542 12.324 1.00 0.00 H ATOM 1276 HG23 THR A 79 -14.348 -4.061 12.912 1.00 0.00 H ATOM 1277 N THR A 80 -11.275 -5.492 11.285 1.00 0.00 N ATOM 1278 CA THR A 80 -11.051 -6.899 11.597 1.00 0.00 C ATOM 1279 C THR A 80 -10.003 -7.503 10.668 1.00 0.00 C ATOM 1280 O THR A 80 -9.830 -8.721 10.619 1.00 0.00 O ATOM 1281 CB THR A 80 -12.360 -7.682 11.484 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.142 -9.061 11.726 1.00 0.00 O ATOM 1283 CG2 THR A 80 -13.020 -7.553 10.128 1.00 0.00 C ATOM 1284 H THR A 80 -11.267 -5.203 10.349 1.00 0.00 H ATOM 1285 HA THR A 80 -10.692 -6.960 12.613 1.00 0.00 H ATOM 1286 HB THR A 80 -13.054 -7.312 12.226 1.00 0.00 H ATOM 1287 HG1 THR A 80 -11.944 -9.504 10.898 1.00 0.00 H ATOM 1288 HG21 THR A 80 -12.971 -8.500 9.612 1.00 0.00 H ATOM 1289 HG22 THR A 80 -12.507 -6.800 9.548 1.00 0.00 H ATOM 1290 HG23 THR A 80 -14.053 -7.266 10.256 1.00 0.00 H ATOM 1291 N LEU A 81 -9.304 -6.644 9.933 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.272 -7.094 9.006 1.00 0.00 C ATOM 1293 C LEU A 81 -8.689 -8.387 8.313 1.00 0.00 C ATOM 1294 O LEU A 81 -7.847 -9.210 7.954 1.00 0.00 O ATOM 1295 CB LEU A 81 -6.949 -7.301 9.745 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.338 -6.034 10.346 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -6.461 -6.050 11.862 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -4.881 -5.897 9.929 1.00 0.00 C ATOM 1299 H LEU A 81 -9.486 -5.685 10.016 1.00 0.00 H ATOM 1300 HA LEU A 81 -8.140 -6.326 8.259 1.00 0.00 H ATOM 1301 HB2 LEU A 81 -7.114 -8.011 10.543 1.00 0.00 H ATOM 1302 HB3 LEU A 81 -6.236 -7.723 9.052 1.00 0.00 H ATOM 1303 HG LEU A 81 -6.875 -5.173 9.977 1.00 0.00 H ATOM 1304 HD11 LEU A 81 -5.561 -6.464 12.292 1.00 0.00 H ATOM 1305 HD12 LEU A 81 -7.308 -6.656 12.148 1.00 0.00 H ATOM 1306 HD13 LEU A 81 -6.602 -5.042 12.222 1.00 0.00 H ATOM 1307 HD21 LEU A 81 -4.441 -6.878 9.828 1.00 0.00 H ATOM 1308 HD22 LEU A 81 -4.343 -5.337 10.680 1.00 0.00 H ATOM 1309 HD23 LEU A 81 -4.825 -5.377 8.984 1.00 0.00 H ATOM 1310 N LYS A 82 -9.994 -8.559 8.128 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.522 -9.753 7.478 1.00 0.00 C ATOM 1312 C LYS A 82 -9.992 -9.876 6.054 1.00 0.00 C ATOM 1313 O LYS A 82 -9.513 -10.935 5.648 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.052 -9.717 7.464 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.690 -10.577 8.543 1.00 0.00 C ATOM 1316 CD LYS A 82 -13.005 -11.972 8.029 1.00 0.00 C ATOM 1317 CE LYS A 82 -14.341 -12.470 8.554 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.293 -13.913 8.919 1.00 0.00 N ATOM 1319 H LYS A 82 -10.616 -7.868 8.436 1.00 0.00 H ATOM 1320 HA LYS A 82 -10.196 -10.611 8.046 1.00 0.00 H ATOM 1321 HB2 LYS A 82 -12.378 -8.697 7.607 1.00 0.00 H ATOM 1322 HB3 LYS A 82 -12.400 -10.066 6.503 1.00 0.00 H ATOM 1323 HG2 LYS A 82 -12.008 -10.657 9.377 1.00 0.00 H ATOM 1324 HG3 LYS A 82 -13.606 -10.107 8.869 1.00 0.00 H ATOM 1325 HD2 LYS A 82 -13.039 -11.949 6.951 1.00 0.00 H ATOM 1326 HD3 LYS A 82 -12.226 -12.648 8.353 1.00 0.00 H ATOM 1327 HE2 LYS A 82 -14.607 -11.896 9.429 1.00 0.00 H ATOM 1328 HE3 LYS A 82 -15.090 -12.326 7.789 1.00 0.00 H ATOM 1329 HZ1 LYS A 82 -15.227 -14.231 9.248 1.00 0.00 H ATOM 1330 HZ2 LYS A 82 -13.600 -14.067 9.678 1.00 0.00 H ATOM 1331 HZ3 LYS A 82 -14.016 -14.482 8.092 1.00 0.00 H ATOM 1332 N ILE A 83 -10.079 -8.786 5.299 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.607 -8.773 3.920 1.00 0.00 C ATOM 1334 C ILE A 83 -8.210 -9.373 3.814 1.00 0.00 C ATOM 1335 O ILE A 83 -7.946 -10.209 2.950 1.00 0.00 O ATOM 1336 CB ILE A 83 -9.584 -7.343 3.346 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -8.714 -6.434 4.217 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -10.997 -6.791 3.241 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -8.818 -4.969 3.853 1.00 0.00 C ATOM 1340 H ILE A 83 -10.470 -7.971 5.678 1.00 0.00 H ATOM 1341 HA ILE A 83 -10.289 -9.366 3.328 1.00 0.00 H ATOM 1342 HB ILE A 83 -9.165 -7.385 2.352 1.00 0.00 H ATOM 1343 HG12 ILE A 83 -9.014 -6.541 5.249 1.00 0.00 H ATOM 1344 HG13 ILE A 83 -7.680 -6.731 4.114 1.00 0.00 H ATOM 1345 HG21 ILE A 83 -10.959 -5.715 3.167 1.00 0.00 H ATOM 1346 HG22 ILE A 83 -11.560 -7.072 4.119 1.00 0.00 H ATOM 1347 HG23 ILE A 83 -11.477 -7.196 2.362 1.00 0.00 H ATOM 1348 HD11 ILE A 83 -8.377 -4.808 2.880 1.00 0.00 H ATOM 1349 HD12 ILE A 83 -8.293 -4.378 4.589 1.00 0.00 H ATOM 1350 HD13 ILE A 83 -9.857 -4.677 3.830 1.00 0.00 H ATOM 1351 N LEU A 84 -7.318 -8.943 4.701 1.00 0.00 N ATOM 1352 CA LEU A 84 -5.948 -9.441 4.707 1.00 0.00 C ATOM 1353 C LEU A 84 -5.922 -10.949 4.927 1.00 0.00 C ATOM 1354 O LEU A 84 -5.049 -11.647 4.409 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.133 -8.740 5.797 1.00 0.00 C ATOM 1356 CG LEU A 84 -4.250 -7.592 5.307 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -4.974 -6.262 5.452 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -2.934 -7.571 6.069 1.00 0.00 C ATOM 1359 H LEU A 84 -7.588 -8.277 5.366 1.00 0.00 H ATOM 1360 HA LEU A 84 -5.511 -9.221 3.745 1.00 0.00 H ATOM 1361 HB2 LEU A 84 -5.819 -8.350 6.535 1.00 0.00 H ATOM 1362 HB3 LEU A 84 -4.500 -9.474 6.271 1.00 0.00 H ATOM 1363 HG LEU A 84 -4.029 -7.738 4.259 1.00 0.00 H ATOM 1364 HD11 LEU A 84 -5.877 -6.278 4.860 1.00 0.00 H ATOM 1365 HD12 LEU A 84 -4.333 -5.464 5.110 1.00 0.00 H ATOM 1366 HD13 LEU A 84 -5.227 -6.102 6.490 1.00 0.00 H ATOM 1367 HD21 LEU A 84 -2.371 -8.463 5.840 1.00 0.00 H ATOM 1368 HD22 LEU A 84 -3.133 -7.533 7.130 1.00 0.00 H ATOM 1369 HD23 LEU A 84 -2.364 -6.700 5.779 1.00 0.00 H ATOM 1370 N GLU A 85 -6.885 -11.447 5.696 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.974 -12.873 5.982 1.00 0.00 C ATOM 1372 C GLU A 85 -7.537 -13.632 4.785 1.00 0.00 C ATOM 1373 O GLU A 85 -7.332 -14.838 4.649 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.851 -13.115 7.212 1.00 0.00 C ATOM 1375 CG GLU A 85 -7.412 -14.307 8.047 1.00 0.00 C ATOM 1376 CD GLU A 85 -7.027 -13.918 9.461 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -6.278 -12.932 9.623 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -7.476 -14.600 10.407 1.00 0.00 O ATOM 1379 H GLU A 85 -7.553 -10.840 6.079 1.00 0.00 H ATOM 1380 HA GLU A 85 -5.977 -13.234 6.185 1.00 0.00 H ATOM 1381 HB2 GLU A 85 -7.823 -12.235 7.838 1.00 0.00 H ATOM 1382 HB3 GLU A 85 -8.867 -13.283 6.888 1.00 0.00 H ATOM 1383 HG2 GLU A 85 -8.225 -15.016 8.094 1.00 0.00 H ATOM 1384 HG3 GLU A 85 -6.560 -14.769 7.571 1.00 0.00 H ATOM 1385 N GLY A 86 -8.247 -12.916 3.918 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.828 -13.538 2.743 1.00 0.00 C ATOM 1387 C GLY A 86 -7.973 -13.350 1.505 1.00 0.00 C ATOM 1388 O GLY A 86 -8.115 -14.083 0.527 1.00 0.00 O ATOM 1389 H GLY A 86 -8.376 -11.958 4.078 1.00 0.00 H ATOM 1390 HA2 GLY A 86 -8.944 -14.596 2.929 1.00 0.00 H ATOM 1391 HA3 GLY A 86 -9.801 -13.106 2.564 1.00 0.00 H ATOM 1392 N HIS A 87 -7.083 -12.364 1.548 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.201 -12.081 0.421 1.00 0.00 C ATOM 1394 C HIS A 87 -4.913 -11.414 0.891 1.00 0.00 C ATOM 1395 O HIS A 87 -4.420 -10.479 0.261 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.911 -11.185 -0.596 1.00 0.00 C ATOM 1397 CG HIS A 87 -6.891 -9.733 -0.231 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -5.947 -8.849 -0.708 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -7.710 -9.010 0.571 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -6.183 -7.646 -0.215 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -7.248 -7.717 0.563 1.00 0.00 N ATOM 1402 H HIS A 87 -7.016 -11.814 2.356 1.00 0.00 H ATOM 1403 HA HIS A 87 -5.955 -13.020 -0.051 1.00 0.00 H ATOM 1404 HB2 HIS A 87 -6.430 -11.291 -1.557 1.00 0.00 H ATOM 1405 HB3 HIS A 87 -7.942 -11.494 -0.680 1.00 0.00 H ATOM 1406 HD1 HIS A 87 -5.211 -9.071 -1.316 1.00 0.00 H ATOM 1407 HD2 HIS A 87 -8.566 -9.382 1.115 1.00 0.00 H ATOM 1408 HE1 HIS A 87 -5.606 -6.756 -0.416 1.00 0.00 H ATOM 1409 HE2 HIS A 87 -7.590 -6.987 1.120 1.00 0.00 H ATOM 1410 N LEU A 88 -4.372 -11.902 2.003 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.141 -11.354 2.559 1.00 0.00 C ATOM 1412 C LEU A 88 -2.609 -12.239 3.681 1.00 0.00 C ATOM 1413 O LEU A 88 -2.512 -11.748 4.826 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.380 -9.936 3.082 1.00 0.00 C ATOM 1415 CG LEU A 88 -2.149 -9.029 3.079 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -0.887 -9.841 3.324 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -2.050 -8.270 1.765 1.00 0.00 C ATOM 1418 OXT LEU A 88 -2.294 -13.416 3.406 1.00 0.00 O ATOM 1419 H LEU A 88 -4.812 -12.649 2.461 1.00 0.00 H ATOM 1420 HA LEU A 88 -2.408 -11.317 1.767 1.00 0.00 H ATOM 1421 HB2 LEU A 88 -4.144 -9.475 2.473 1.00 0.00 H ATOM 1422 HB3 LEU A 88 -3.745 -10.006 4.096 1.00 0.00 H ATOM 1423 HG LEU A 88 -2.240 -8.306 3.878 1.00 0.00 H ATOM 1424 HD11 LEU A 88 -0.032 -9.181 3.344 1.00 0.00 H ATOM 1425 HD12 LEU A 88 -0.764 -10.564 2.531 1.00 0.00 H ATOM 1426 HD13 LEU A 88 -0.967 -10.355 4.270 1.00 0.00 H ATOM 1427 HD21 LEU A 88 -1.900 -8.969 0.956 1.00 0.00 H ATOM 1428 HD22 LEU A 88 -1.218 -7.583 1.807 1.00 0.00 H ATOM 1429 HD23 LEU A 88 -2.964 -7.718 1.598 1.00 0.00 H TER 1430 LEU A 88 MASTER 113 0 0 3 3 0 0 6 1429 1 0 7 END