HEADER DIHYDROLIPOAMIDE ACETYLTRANSFERASE 08-JUN-99 1QJO TITLE INNERMOST LIPOYL DOMAIN OF THE PYRUVATE DEHYDROGENASE FROM TITLE 2 ESCHERICHIA COLI COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIHYDROLIPOAMIDE ACETYLTRANSFERASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: LIPOAMIDE BINDING DOMAIN OF E2P; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; SOURCE 3 ORGANISM_COMMON: ESCHERICHIA COLI; SOURCE 4 STRAIN: BL21 DE3; SOURCE 5 CELLULAR_LOCATION: CYTOPLASM; SOURCE 6 GENE: E2P_ECOLI; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 DE3; SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: T7; SOURCE 10 EXPRESSION_SYSTEM_VECTOR: PLASMID; SOURCE 11 EXPRESSION_SYSTEM_PLASMID: PET11C KEYWDS LIPOYL DOMAIN, PYRUVATE DEHYDROGENASE EXPDTA NMR, 30 STRUCTURES AUTHOR D.D.JONES,M.J.HOWARD,R.N.PERHAM REVDAT 4 01-APR-03 1QJO 1 JRNL REVDAT 3 21-JUL-00 1QJO 1 JRNL REVDAT 2 04-JUL-00 1QJO 1 JRNL REVDAT 1 30-JUN-99 1QJO 0 JRNL AUTH D.D.JONES,K.M.STOTT,M.J.HOWARD,R.N.PERHAM JRNL TITL RESTRICTED MOTION OF THE LIPOYL-LYSINE SWINGING JRNL TITL 2 ARM IN THE PYRUVATE DEHYDROGENASE COMPLEX OF JRNL TITL 3 ESCHERICHIA COLI. JRNL REF BIOCHEMISTRY V. 39 8448 2000 JRNL REFN ASTM BICHAW US ISSN 0006-2960 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.J.HOWARD,H.J.CHAUHAN,G.J.DOMINGO,C.FULLER, REMARK 1 AUTH 2 R.N.PERHAM REMARK 1 TITL PROTEIN-PROTEIN INTERACTION REVEALED BY NMR T(2) REMARK 1 TITL 2 RELAXATION EXPERIMENTS: THE LIPOYL DOMAIN AND E1 REMARK 1 TITL 3 COMPONENT OF THE PYRUVATE DEHYDROGENASE REMARK 1 TITL 4 MULTIENZYME COMPLEX OF BACILLUS STEAROTHERMOPHILUS REMARK 1 REF J.MOL.BIOL. V. 295 1023 2000 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.8 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE N-TERMINAL MET IS AN ARTIFAC OF REMARK 3 THE EXPRESSION SYSTEM USED AND NO RESTRAINTS WERE USED TO REMARK 3 CALCULATE ITS PART IN THE STRUCTURE. REMARK 4 REMARK 4 1QJO COMPLIES WITH FORMAT V. 3.0, 1-DEC-2006 REMARK 4 REMARK 4 THIS IS THE REMEDIATED VERSION OF THIS PDB ENTRY. REMARK 4 REMEDIATED DATA FILE REVISION 3.101 (2007-05-31) REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY EBI . REMARK 100 THE EBI ID CODE IS EBI-1228 . REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 5.5 REMARK 210 IONIC STRENGTH : 20MM NAPI REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 90% H2O/ 10%D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NOESY, TOCSY, DQFCOSY, HMQC- REMARK 210 NOESY, HMQC-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : AM500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : ANSIG REMARK 210 METHOD USED : XPLOR REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 60 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 30 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 M RES CSSEQI PSI PHI REMARK 500 1 ALA A 79 50.91 4.31 REMARK 500 2 ALA A 79 153.12 114.16 REMARK 500 3 GLU A 14 149.17 41.40 REMARK 500 3 ALA A 79 -90.41 97.43 REMARK 500 4 GLU A 31 -21.55 118.89 REMARK 500 4 ASP A 40 59.78 -3.94 REMARK 500 4 ALA A 79 -102.02 -156.73 REMARK 500 5 ALA A 79 160.82 80.76 REMARK 500 6 ALA A 79 165.70 99.81 REMARK 500 7 VAL A 2 121.23 13.23 REMARK 500 8 ALA A 79 32.87 146.48 REMARK 500 10 GLU A 31 -28.19 139.81 REMARK 500 11 ASP A 13 68.28 -1.54 REMARK 500 11 GLU A 14 78.54 109.64 REMARK 500 11 GLU A 77 -97.57 76.13 REMARK 500 12 ASP A 13 16.02 15.00 REMARK 500 13 GLU A 77 -69.83 52.82 REMARK 500 14 ALA A 79 100.38 122.15 REMARK 500 15 GLU A 31 -48.88 79.55 REMARK 500 16 VAL A 2 136.51 63.48 REMARK 500 16 GLU A 31 -35.63 75.55 REMARK 500 17 ASP A 40 -83.42 54.05 REMARK 500 18 ASP A 9 37.74 -1.50 REMARK 500 18 ASP A 13 163.88 75.46 REMARK 500 18 GLU A 31 -40.16 74.27 REMARK 500 19 ASP A 40 -118.12 -155.51 REMARK 500 20 ASP A 13 60.39 -2.36 REMARK 500 20 GLU A 77 62.61 -13.59 REMARK 500 24 ASP A 40 132.98 105.86 REMARK 500 24 ALA A 79 -43.03 126.72 REMARK 500 25 GLU A 31 -41.22 72.61 REMARK 500 25 GLU A 77 -87.86 73.10 REMARK 500 26 ASP A 40 -68.80 60.18 REMARK 500 27 GLU A 14 137.50 118.52 REMARK 500 28 GLU A 31 -41.54 74.12 REMARK 500 28 GLU A 77 144.90 85.94 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: 41K REMARK 800 SITE_DESCRIPTION: LIPOYL-LYSINE DBREF 1QJO A 2 80 UNP P06959 ODP2_ECOLI 205 283 SEQRES 1 A 80 MET VAL LYS GLU VAL ASN VAL PRO ASP ILE GLY GLY ASP SEQRES 2 A 80 GLU VAL GLU VAL THR GLU VAL MET VAL LYS VAL GLY ASP SEQRES 3 A 80 LYS VAL ALA ALA GLU GLN SER LEU ILE THR VAL GLU GLY SEQRES 4 A 80 ASP LYS ALA SER MET GLU VAL PRO ALA PRO PHE ALA GLY SEQRES 5 A 80 VAL VAL LYS GLU LEU LYS VAL ASN VAL GLY ASP LYS VAL SEQRES 6 A 80 LYS THR GLY SER LEU ILE MET ILE PHE GLU VAL GLU GLY SEQRES 7 A 80 ALA ALA SHEET 1 A 4 VAL A 2 ASN A 6 0 SHEET 2 A 4 LEU A 70 VAL A 76 -1 O MET A 72 N VAL A 5 SHEET 3 A 4 GLY A 52 LYS A 58 -1 O VAL A 53 N GLU A 75 SHEET 4 A 4 ASP A 26 VAL A 28 -1 O VAL A 28 N GLY A 52 SHEET 1 B 4 ALA A 42 PRO A 47 0 SHEET 2 B 4 LEU A 34 GLY A 39 -1 N LEU A 34 O VAL A 46 SHEET 3 B 4 VAL A 15 VAL A 20 -1 O GLU A 16 N GLU A 38 SHEET 4 B 4 ASP A 63 VAL A 65 -1 O VAL A 65 N VAL A 15 SITE 1 41K 1 LYS A 41 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 MODEL 1 ATOM 1 N MET A 1 18.876 1.262 6.078 1.00 0.00 N ATOM 2 CA MET A 1 17.967 2.239 6.800 1.00 0.00 C ATOM 3 C MET A 1 16.443 2.093 6.478 1.00 0.00 C ATOM 4 O MET A 1 15.926 2.866 5.692 1.00 0.00 O ATOM 5 CB MET A 1 18.453 3.690 6.452 1.00 0.00 C ATOM 6 CG MET A 1 19.929 3.839 6.861 1.00 0.00 C ATOM 7 SD MET A 1 21.097 3.183 5.647 1.00 0.00 S ATOM 8 CE MET A 1 21.431 4.756 4.805 1.00 0.00 C ATOM 9 HA MET A 1 18.026 2.071 7.874 1.00 0.00 H ATOM 10 HB2 MET A 1 18.363 3.859 5.381 1.00 0.00 H ATOM 11 HB3 MET A 1 17.832 4.436 6.929 1.00 0.00 H ATOM 12 HG2 MET A 1 20.173 4.877 7.049 1.00 0.00 H ATOM 13 HG3 MET A 1 20.111 3.323 7.792 1.00 0.00 H ATOM 14 HE1 MET A 1 20.764 5.528 5.166 1.00 0.00 H ATOM 15 HE2 MET A 1 22.451 5.065 5.004 1.00 0.00 H ATOM 16 HE3 MET A 1 21.266 4.668 3.739 1.00 0.00 H ATOM 17 H1 MET A 1 18.286 0.680 5.443 1.00 0.00 H ATOM 18 H2 MET A 1 19.594 1.754 5.504 1.00 0.00 H ATOM 19 H3 MET A 1 19.408 0.664 6.744 1.00 0.00 H ATOM 20 N VAL A 2 15.771 1.135 7.061 1.00 0.00 N ATOM 21 CA VAL A 2 14.309 0.989 6.763 1.00 0.00 C ATOM 22 C VAL A 2 13.435 2.242 7.027 1.00 0.00 C ATOM 23 O VAL A 2 13.751 3.145 7.778 1.00 0.00 O ATOM 24 CB VAL A 2 13.715 -0.192 7.589 1.00 0.00 C ATOM 25 CG1 VAL A 2 14.518 -1.459 7.345 1.00 0.00 C ATOM 26 CG2 VAL A 2 13.729 0.098 9.102 1.00 0.00 C ATOM 27 H VAL A 2 16.175 0.499 7.679 1.00 0.00 H ATOM 28 HA VAL A 2 14.209 0.757 5.713 1.00 0.00 H ATOM 29 HB VAL A 2 12.682 -0.321 7.279 1.00 0.00 H ATOM 30 HG11 VAL A 2 14.552 -1.647 6.286 1.00 0.00 H ATOM 31 HG12 VAL A 2 15.524 -1.360 7.722 1.00 0.00 H ATOM 32 HG13 VAL A 2 14.017 -2.272 7.848 1.00 0.00 H ATOM 33 HG21 VAL A 2 14.730 0.316 9.440 1.00 0.00 H ATOM 34 HG22 VAL A 2 13.099 0.951 9.330 1.00 0.00 H ATOM 35 HG23 VAL A 2 13.334 -0.743 9.658 1.00 0.00 H ATOM 36 N LYS A 3 12.337 2.194 6.350 1.00 0.00 N ATOM 37 CA LYS A 3 11.257 3.232 6.367 1.00 0.00 C ATOM 38 C LYS A 3 9.867 2.546 6.358 1.00 0.00 C ATOM 39 O LYS A 3 9.717 1.475 5.802 1.00 0.00 O ATOM 40 CB LYS A 3 11.374 4.112 5.108 1.00 0.00 C ATOM 41 CG LYS A 3 12.577 5.077 5.138 1.00 0.00 C ATOM 42 CD LYS A 3 12.051 6.539 5.308 1.00 0.00 C ATOM 43 CE LYS A 3 11.382 7.020 4.022 1.00 0.00 C ATOM 44 NZ LYS A 3 10.385 8.071 4.400 1.00 0.00 N ATOM 45 H LYS A 3 12.238 1.398 5.796 1.00 0.00 H ATOM 46 HA LYS A 3 11.337 3.810 7.279 1.00 0.00 H ATOM 47 HB2 LYS A 3 11.481 3.431 4.270 1.00 0.00 H ATOM 48 HB3 LYS A 3 10.441 4.641 4.986 1.00 0.00 H ATOM 49 HG2 LYS A 3 13.256 4.819 5.945 1.00 0.00 H ATOM 50 HG3 LYS A 3 13.101 4.952 4.200 1.00 0.00 H ATOM 51 HD2 LYS A 3 11.366 6.563 6.144 1.00 0.00 H ATOM 52 HD3 LYS A 3 12.892 7.181 5.536 1.00 0.00 H ATOM 53 HE2 LYS A 3 12.122 7.413 3.329 1.00 0.00 H ATOM 54 HE3 LYS A 3 10.897 6.192 3.531 1.00 0.00 H ATOM 55 HZ1 LYS A 3 10.388 8.213 5.429 1.00 0.00 H ATOM 56 HZ2 LYS A 3 10.598 8.975 3.933 1.00 0.00 H ATOM 57 HZ3 LYS A 3 9.428 7.767 4.107 1.00 0.00 H ATOM 58 N GLU A 4 8.887 3.158 6.942 1.00 0.00 N ATOM 59 CA GLU A 4 7.528 2.526 6.937 1.00 0.00 C ATOM 60 C GLU A 4 6.658 3.090 5.789 1.00 0.00 C ATOM 61 O GLU A 4 6.870 4.191 5.310 1.00 0.00 O ATOM 62 CB GLU A 4 6.900 2.816 8.299 1.00 0.00 C ATOM 63 CG GLU A 4 7.780 2.146 9.401 1.00 0.00 C ATOM 64 CD GLU A 4 7.394 2.532 10.826 1.00 0.00 C ATOM 65 OE1 GLU A 4 6.395 3.204 11.007 1.00 0.00 O ATOM 66 OE2 GLU A 4 8.174 2.102 11.651 1.00 0.00 O ATOM 67 H GLU A 4 9.013 4.011 7.402 1.00 0.00 H ATOM 68 HA GLU A 4 7.608 1.456 6.811 1.00 0.00 H ATOM 69 HB2 GLU A 4 6.839 3.880 8.496 1.00 0.00 H ATOM 70 HB3 GLU A 4 5.896 2.420 8.364 1.00 0.00 H ATOM 71 HG2 GLU A 4 7.666 1.075 9.357 1.00 0.00 H ATOM 72 HG3 GLU A 4 8.823 2.388 9.301 1.00 0.00 H ATOM 73 N VAL A 5 5.711 2.302 5.378 1.00 0.00 N ATOM 74 CA VAL A 5 4.761 2.689 4.276 1.00 0.00 C ATOM 75 C VAL A 5 3.348 2.763 4.825 1.00 0.00 C ATOM 76 O VAL A 5 2.784 1.781 5.281 1.00 0.00 O ATOM 77 CB VAL A 5 4.728 1.649 3.113 1.00 0.00 C ATOM 78 CG1 VAL A 5 3.522 1.907 2.146 1.00 0.00 C ATOM 79 CG2 VAL A 5 5.973 1.806 2.261 1.00 0.00 C ATOM 80 H VAL A 5 5.627 1.420 5.811 1.00 0.00 H ATOM 81 HA VAL A 5 5.024 3.659 3.885 1.00 0.00 H ATOM 82 HB VAL A 5 4.652 0.657 3.524 1.00 0.00 H ATOM 83 HG11 VAL A 5 2.569 1.865 2.668 1.00 0.00 H ATOM 84 HG12 VAL A 5 3.591 2.872 1.684 1.00 0.00 H ATOM 85 HG13 VAL A 5 3.502 1.163 1.360 1.00 0.00 H ATOM 86 HG21 VAL A 5 6.062 2.806 1.869 1.00 0.00 H ATOM 87 HG22 VAL A 5 6.864 1.573 2.827 1.00 0.00 H ATOM 88 HG23 VAL A 5 5.904 1.135 1.419 1.00 0.00 H ATOM 89 N ASN A 6 2.812 3.941 4.760 1.00 0.00 N ATOM 90 CA ASN A 6 1.430 4.140 5.253 1.00 0.00 C ATOM 91 C ASN A 6 0.492 4.361 4.078 1.00 0.00 C ATOM 92 O ASN A 6 0.883 4.556 2.941 1.00 0.00 O ATOM 93 CB ASN A 6 1.427 5.356 6.209 1.00 0.00 C ATOM 94 CG ASN A 6 1.934 6.591 5.498 1.00 0.00 C ATOM 95 OD1 ASN A 6 2.979 6.620 4.896 1.00 0.00 O ATOM 96 ND2 ASN A 6 1.235 7.668 5.531 1.00 0.00 N ATOM 97 H ASN A 6 3.314 4.695 4.391 1.00 0.00 H ATOM 98 HA ASN A 6 1.103 3.239 5.741 1.00 0.00 H ATOM 99 HB2 ASN A 6 0.415 5.555 6.532 1.00 0.00 H ATOM 100 HB3 ASN A 6 2.054 5.176 7.067 1.00 0.00 H ATOM 101 HD21 ASN A 6 0.383 7.696 5.998 1.00 0.00 H ATOM 102 HD22 ASN A 6 1.592 8.449 5.068 1.00 0.00 H ATOM 103 N VAL A 7 -0.754 4.323 4.424 1.00 0.00 N ATOM 104 CA VAL A 7 -1.804 4.524 3.387 1.00 0.00 C ATOM 105 C VAL A 7 -2.178 6.028 3.426 1.00 0.00 C ATOM 106 O VAL A 7 -2.693 6.470 4.435 1.00 0.00 O ATOM 107 CB VAL A 7 -3.030 3.638 3.740 1.00 0.00 C ATOM 108 CG1 VAL A 7 -3.708 3.293 2.411 1.00 0.00 C ATOM 109 CG2 VAL A 7 -2.607 2.294 4.311 1.00 0.00 C ATOM 110 H VAL A 7 -0.993 4.156 5.362 1.00 0.00 H ATOM 111 HA VAL A 7 -1.402 4.272 2.416 1.00 0.00 H ATOM 112 HB VAL A 7 -3.663 4.137 4.474 1.00 0.00 H ATOM 113 HG11 VAL A 7 -3.928 4.190 1.856 1.00 0.00 H ATOM 114 HG12 VAL A 7 -3.050 2.693 1.794 1.00 0.00 H ATOM 115 HG13 VAL A 7 -4.609 2.727 2.592 1.00 0.00 H ATOM 116 HG21 VAL A 7 -1.998 2.418 5.189 1.00 0.00 H ATOM 117 HG22 VAL A 7 -3.471 1.704 4.559 1.00 0.00 H ATOM 118 HG23 VAL A 7 -2.037 1.758 3.579 1.00 0.00 H ATOM 119 N PRO A 8 -1.916 6.774 2.378 1.00 0.00 N ATOM 120 CA PRO A 8 -2.154 8.261 2.363 1.00 0.00 C ATOM 121 C PRO A 8 -3.664 8.650 2.445 1.00 0.00 C ATOM 122 O PRO A 8 -4.213 8.818 3.516 1.00 0.00 O ATOM 123 CB PRO A 8 -1.450 8.669 1.052 1.00 0.00 C ATOM 124 CG PRO A 8 -1.743 7.433 0.157 1.00 0.00 C ATOM 125 CD PRO A 8 -1.373 6.278 1.081 1.00 0.00 C ATOM 126 HA PRO A 8 -1.665 8.717 3.211 1.00 0.00 H ATOM 127 HB2 PRO A 8 -1.885 9.568 0.633 1.00 0.00 H ATOM 128 HB3 PRO A 8 -0.390 8.821 1.202 1.00 0.00 H ATOM 129 HG2 PRO A 8 -2.791 7.338 -0.114 1.00 0.00 H ATOM 130 HG3 PRO A 8 -1.149 7.447 -0.743 1.00 0.00 H ATOM 131 HD2 PRO A 8 -1.896 5.378 0.786 1.00 0.00 H ATOM 132 HD3 PRO A 8 -0.303 6.114 1.155 1.00 0.00 H ATOM 133 N ASP A 9 -4.249 8.775 1.296 1.00 0.00 N ATOM 134 CA ASP A 9 -5.675 9.129 1.092 1.00 0.00 C ATOM 135 C ASP A 9 -6.477 8.078 0.231 1.00 0.00 C ATOM 136 O ASP A 9 -6.229 7.809 -0.926 1.00 0.00 O ATOM 137 CB ASP A 9 -5.606 10.561 0.464 1.00 0.00 C ATOM 138 CG ASP A 9 -4.807 10.643 -0.836 1.00 0.00 C ATOM 139 OD1 ASP A 9 -3.805 9.961 -0.969 1.00 0.00 O ATOM 140 OD2 ASP A 9 -5.280 11.430 -1.623 1.00 0.00 O ATOM 141 H ASP A 9 -3.723 8.651 0.481 1.00 0.00 H ATOM 142 HA ASP A 9 -6.160 9.199 2.057 1.00 0.00 H ATOM 143 HB2 ASP A 9 -6.595 10.937 0.261 1.00 0.00 H ATOM 144 HB3 ASP A 9 -5.113 11.232 1.140 1.00 0.00 H ATOM 145 N ILE A 10 -7.454 7.467 0.839 1.00 0.00 N ATOM 146 CA ILE A 10 -8.310 6.443 0.120 1.00 0.00 C ATOM 147 C ILE A 10 -9.793 6.832 0.170 1.00 0.00 C ATOM 148 O ILE A 10 -10.697 6.057 0.393 1.00 0.00 O ATOM 149 CB ILE A 10 -8.075 5.016 0.771 1.00 0.00 C ATOM 150 CG1 ILE A 10 -7.790 5.096 2.300 1.00 0.00 C ATOM 151 CG2 ILE A 10 -6.911 4.307 0.013 1.00 0.00 C ATOM 152 CD1 ILE A 10 -6.302 5.477 2.589 1.00 0.00 C ATOM 153 H ILE A 10 -7.610 7.683 1.778 1.00 0.00 H ATOM 154 HA ILE A 10 -8.046 6.431 -0.927 1.00 0.00 H ATOM 155 HB ILE A 10 -8.978 4.425 0.644 1.00 0.00 H ATOM 156 HG12 ILE A 10 -8.474 5.804 2.755 1.00 0.00 H ATOM 157 HG13 ILE A 10 -8.002 4.122 2.723 1.00 0.00 H ATOM 158 HG21 ILE A 10 -6.018 4.912 0.057 1.00 0.00 H ATOM 159 HG22 ILE A 10 -6.682 3.335 0.429 1.00 0.00 H ATOM 160 HG23 ILE A 10 -7.153 4.171 -1.028 1.00 0.00 H ATOM 161 HD11 ILE A 10 -5.966 6.399 2.137 1.00 0.00 H ATOM 162 HD12 ILE A 10 -6.106 5.531 3.646 1.00 0.00 H ATOM 163 HD13 ILE A 10 -5.699 4.698 2.175 1.00 0.00 H ATOM 164 N GLY A 11 -9.986 8.099 -0.063 1.00 0.00 N ATOM 165 CA GLY A 11 -11.367 8.729 -0.072 1.00 0.00 C ATOM 166 C GLY A 11 -12.168 8.702 1.244 1.00 0.00 C ATOM 167 O GLY A 11 -12.444 9.742 1.801 1.00 0.00 O ATOM 168 H GLY A 11 -9.171 8.624 -0.237 1.00 0.00 H ATOM 169 HA2 GLY A 11 -11.279 9.764 -0.369 1.00 0.00 H ATOM 170 HA3 GLY A 11 -11.972 8.226 -0.812 1.00 0.00 H ATOM 171 N GLY A 12 -12.512 7.532 1.703 1.00 0.00 N ATOM 172 CA GLY A 12 -13.306 7.367 2.986 1.00 0.00 C ATOM 173 C GLY A 12 -12.873 6.259 3.969 1.00 0.00 C ATOM 174 O GLY A 12 -11.776 5.741 3.918 1.00 0.00 O ATOM 175 H GLY A 12 -12.235 6.737 1.195 1.00 0.00 H ATOM 176 HA2 GLY A 12 -13.269 8.292 3.542 1.00 0.00 H ATOM 177 HA3 GLY A 12 -14.335 7.174 2.733 1.00 0.00 H ATOM 178 N ASP A 13 -13.819 5.998 4.820 1.00 0.00 N ATOM 179 CA ASP A 13 -13.830 4.998 5.934 1.00 0.00 C ATOM 180 C ASP A 13 -12.682 3.928 6.061 1.00 0.00 C ATOM 181 O ASP A 13 -11.558 4.191 6.453 1.00 0.00 O ATOM 182 CB ASP A 13 -15.273 4.362 5.799 1.00 0.00 C ATOM 183 CG ASP A 13 -16.364 5.411 5.863 1.00 0.00 C ATOM 184 OD1 ASP A 13 -16.517 6.080 4.859 1.00 0.00 O ATOM 185 OD2 ASP A 13 -16.963 5.468 6.914 1.00 0.00 O ATOM 186 H ASP A 13 -14.647 6.512 4.731 1.00 0.00 H ATOM 187 HA ASP A 13 -13.816 5.555 6.862 1.00 0.00 H ATOM 188 HB2 ASP A 13 -15.377 3.877 4.843 1.00 0.00 H ATOM 189 HB3 ASP A 13 -15.466 3.644 6.579 1.00 0.00 H ATOM 190 N GLU A 14 -13.074 2.732 5.717 1.00 0.00 N ATOM 191 CA GLU A 14 -12.204 1.506 5.736 1.00 0.00 C ATOM 192 C GLU A 14 -12.161 0.746 4.390 1.00 0.00 C ATOM 193 O GLU A 14 -13.167 0.613 3.717 1.00 0.00 O ATOM 194 CB GLU A 14 -12.726 0.520 6.791 1.00 0.00 C ATOM 195 CG GLU A 14 -11.903 0.525 8.114 1.00 0.00 C ATOM 196 CD GLU A 14 -12.129 -0.791 8.864 1.00 0.00 C ATOM 197 OE1 GLU A 14 -11.851 -1.817 8.250 1.00 0.00 O ATOM 198 OE2 GLU A 14 -12.565 -0.683 9.990 1.00 0.00 O ATOM 199 H GLU A 14 -14.003 2.654 5.430 1.00 0.00 H ATOM 200 HA GLU A 14 -11.198 1.805 5.988 1.00 0.00 H ATOM 201 HB2 GLU A 14 -13.752 0.780 7.018 1.00 0.00 H ATOM 202 HB3 GLU A 14 -12.731 -0.489 6.399 1.00 0.00 H ATOM 203 HG2 GLU A 14 -10.845 0.637 7.963 1.00 0.00 H ATOM 204 HG3 GLU A 14 -12.252 1.325 8.752 1.00 0.00 H ATOM 205 N VAL A 15 -11.015 0.260 4.019 1.00 0.00 N ATOM 206 CA VAL A 15 -10.905 -0.503 2.730 1.00 0.00 C ATOM 207 C VAL A 15 -9.993 -1.731 2.904 1.00 0.00 C ATOM 208 O VAL A 15 -9.224 -1.852 3.841 1.00 0.00 O ATOM 209 CB VAL A 15 -10.350 0.443 1.605 1.00 0.00 C ATOM 210 CG1 VAL A 15 -11.382 1.539 1.303 1.00 0.00 C ATOM 211 CG2 VAL A 15 -9.068 1.139 2.052 1.00 0.00 C ATOM 212 H VAL A 15 -10.223 0.391 4.584 1.00 0.00 H ATOM 213 HA VAL A 15 -11.878 -0.868 2.431 1.00 0.00 H ATOM 214 HB VAL A 15 -10.190 -0.138 0.704 1.00 0.00 H ATOM 215 HG11 VAL A 15 -12.317 1.095 0.988 1.00 0.00 H ATOM 216 HG12 VAL A 15 -11.578 2.155 2.171 1.00 0.00 H ATOM 217 HG13 VAL A 15 -11.031 2.180 0.507 1.00 0.00 H ATOM 218 HG21 VAL A 15 -8.331 0.403 2.319 1.00 0.00 H ATOM 219 HG22 VAL A 15 -8.682 1.761 1.257 1.00 0.00 H ATOM 220 HG23 VAL A 15 -9.259 1.761 2.917 1.00 0.00 H ATOM 221 N GLU A 16 -10.103 -2.639 1.995 1.00 0.00 N ATOM 222 CA GLU A 16 -9.265 -3.877 2.057 1.00 0.00 C ATOM 223 C GLU A 16 -8.394 -4.023 0.814 1.00 0.00 C ATOM 224 O GLU A 16 -8.555 -3.310 -0.154 1.00 0.00 O ATOM 225 CB GLU A 16 -10.249 -5.033 2.259 1.00 0.00 C ATOM 226 CG GLU A 16 -11.295 -5.114 1.113 1.00 0.00 C ATOM 227 CD GLU A 16 -12.729 -5.370 1.586 1.00 0.00 C ATOM 228 OE1 GLU A 16 -12.936 -5.563 2.776 1.00 0.00 O ATOM 229 OE2 GLU A 16 -13.542 -5.346 0.696 1.00 0.00 O ATOM 230 H GLU A 16 -10.747 -2.507 1.262 1.00 0.00 H ATOM 231 HA GLU A 16 -8.580 -3.807 2.888 1.00 0.00 H ATOM 232 HB2 GLU A 16 -9.740 -5.981 2.372 1.00 0.00 H ATOM 233 HB3 GLU A 16 -10.774 -4.797 3.159 1.00 0.00 H ATOM 234 HG2 GLU A 16 -11.311 -4.231 0.490 1.00 0.00 H ATOM 235 HG3 GLU A 16 -11.027 -5.947 0.483 1.00 0.00 H ATOM 236 N VAL A 17 -7.489 -4.948 0.840 1.00 0.00 N ATOM 237 CA VAL A 17 -6.591 -5.125 -0.365 1.00 0.00 C ATOM 238 C VAL A 17 -7.034 -6.245 -1.332 1.00 0.00 C ATOM 239 O VAL A 17 -7.129 -7.396 -0.975 1.00 0.00 O ATOM 240 CB VAL A 17 -5.147 -5.405 0.143 1.00 0.00 C ATOM 241 CG1 VAL A 17 -4.128 -5.352 -1.014 1.00 0.00 C ATOM 242 CG2 VAL A 17 -4.751 -4.337 1.152 1.00 0.00 C ATOM 243 H VAL A 17 -7.444 -5.494 1.660 1.00 0.00 H ATOM 244 HA VAL A 17 -6.542 -4.197 -0.923 1.00 0.00 H ATOM 245 HB VAL A 17 -5.125 -6.370 0.645 1.00 0.00 H ATOM 246 HG11 VAL A 17 -4.360 -6.084 -1.772 1.00 0.00 H ATOM 247 HG12 VAL A 17 -4.121 -4.373 -1.473 1.00 0.00 H ATOM 248 HG13 VAL A 17 -3.138 -5.557 -0.631 1.00 0.00 H ATOM 249 HG21 VAL A 17 -4.858 -3.349 0.731 1.00 0.00 H ATOM 250 HG22 VAL A 17 -5.389 -4.421 2.020 1.00 0.00 H ATOM 251 HG23 VAL A 17 -3.723 -4.484 1.451 1.00 0.00 H ATOM 252 N THR A 18 -7.275 -5.831 -2.540 1.00 0.00 N ATOM 253 CA THR A 18 -7.732 -6.731 -3.680 1.00 0.00 C ATOM 254 C THR A 18 -6.470 -7.112 -4.480 1.00 0.00 C ATOM 255 O THR A 18 -6.272 -8.264 -4.806 1.00 0.00 O ATOM 256 CB THR A 18 -8.775 -5.938 -4.555 1.00 0.00 C ATOM 257 OG1 THR A 18 -9.368 -6.869 -5.427 1.00 0.00 O ATOM 258 CG2 THR A 18 -8.170 -5.046 -5.596 1.00 0.00 C ATOM 259 H THR A 18 -7.143 -4.875 -2.693 1.00 0.00 H ATOM 260 HA THR A 18 -8.178 -7.647 -3.313 1.00 0.00 H ATOM 261 HB THR A 18 -9.544 -5.449 -3.962 1.00 0.00 H ATOM 262 HG1 THR A 18 -10.135 -6.371 -5.767 1.00 0.00 H ATOM 263 HG21 THR A 18 -7.543 -5.613 -6.265 1.00 0.00 H ATOM 264 HG22 THR A 18 -8.931 -4.576 -6.197 1.00 0.00 H ATOM 265 HG23 THR A 18 -7.614 -4.277 -5.107 1.00 0.00 H ATOM 266 N GLU A 19 -5.627 -6.152 -4.781 1.00 0.00 N ATOM 267 CA GLU A 19 -4.358 -6.472 -5.540 1.00 0.00 C ATOM 268 C GLU A 19 -3.094 -5.850 -4.909 1.00 0.00 C ATOM 269 O GLU A 19 -2.780 -4.684 -5.086 1.00 0.00 O ATOM 270 CB GLU A 19 -4.366 -5.969 -7.017 1.00 0.00 C ATOM 271 CG GLU A 19 -5.263 -6.816 -7.938 1.00 0.00 C ATOM 272 CD GLU A 19 -5.045 -6.399 -9.392 1.00 0.00 C ATOM 273 OE1 GLU A 19 -3.930 -6.614 -9.844 1.00 0.00 O ATOM 274 OE2 GLU A 19 -6.003 -5.900 -9.947 1.00 0.00 O ATOM 275 H GLU A 19 -5.831 -5.232 -4.513 1.00 0.00 H ATOM 276 HA GLU A 19 -4.227 -7.553 -5.531 1.00 0.00 H ATOM 277 HB2 GLU A 19 -4.599 -4.919 -7.113 1.00 0.00 H ATOM 278 HB3 GLU A 19 -3.369 -6.083 -7.424 1.00 0.00 H ATOM 279 HG2 GLU A 19 -5.013 -7.863 -7.900 1.00 0.00 H ATOM 280 HG3 GLU A 19 -6.304 -6.675 -7.701 1.00 0.00 H ATOM 281 N VAL A 20 -2.363 -6.613 -4.152 1.00 0.00 N ATOM 282 CA VAL A 20 -1.141 -6.096 -3.528 1.00 0.00 C ATOM 283 C VAL A 20 0.013 -6.148 -4.580 1.00 0.00 C ATOM 284 O VAL A 20 0.960 -6.909 -4.529 1.00 0.00 O ATOM 285 CB VAL A 20 -0.869 -6.964 -2.246 1.00 0.00 C ATOM 286 CG1 VAL A 20 -0.373 -8.397 -2.515 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.245 -6.265 -1.478 1.00 0.00 C ATOM 288 H VAL A 20 -2.606 -7.510 -3.965 1.00 0.00 H ATOM 289 HA VAL A 20 -1.404 -5.106 -3.278 1.00 0.00 H ATOM 290 HB VAL A 20 -1.773 -6.971 -1.647 1.00 0.00 H ATOM 291 HG11 VAL A 20 -1.042 -8.951 -3.154 1.00 0.00 H ATOM 292 HG12 VAL A 20 0.605 -8.381 -2.958 1.00 0.00 H ATOM 293 HG13 VAL A 20 -0.276 -8.921 -1.578 1.00 0.00 H ATOM 294 HG21 VAL A 20 -0.037 -5.262 -1.208 1.00 0.00 H ATOM 295 HG22 VAL A 20 0.486 -6.797 -0.570 1.00 0.00 H ATOM 296 HG23 VAL A 20 1.133 -6.220 -2.095 1.00 0.00 H ATOM 297 N MET A 21 -0.121 -5.312 -5.566 1.00 0.00 N ATOM 298 CA MET A 21 0.879 -5.198 -6.691 1.00 0.00 C ATOM 299 C MET A 21 2.379 -5.461 -6.386 1.00 0.00 C ATOM 300 O MET A 21 2.959 -6.327 -7.020 1.00 0.00 O ATOM 301 CB MET A 21 0.719 -3.796 -7.314 1.00 0.00 C ATOM 302 CG MET A 21 -0.756 -3.550 -7.669 1.00 0.00 C ATOM 303 SD MET A 21 -1.028 -2.369 -9.007 1.00 0.00 S ATOM 304 CE MET A 21 -2.149 -3.403 -9.982 1.00 0.00 C ATOM 305 H MET A 21 -0.912 -4.736 -5.568 1.00 0.00 H ATOM 306 HA MET A 21 0.607 -5.923 -7.447 1.00 0.00 H ATOM 307 HB2 MET A 21 1.075 -3.035 -6.638 1.00 0.00 H ATOM 308 HB3 MET A 21 1.320 -3.728 -8.208 1.00 0.00 H ATOM 309 HG2 MET A 21 -1.246 -4.480 -7.929 1.00 0.00 H ATOM 310 HG3 MET A 21 -1.272 -3.160 -6.803 1.00 0.00 H ATOM 311 HE1 MET A 21 -2.964 -3.761 -9.365 1.00 0.00 H ATOM 312 HE2 MET A 21 -2.589 -2.792 -10.755 1.00 0.00 H ATOM 313 HE3 MET A 21 -1.634 -4.236 -10.435 1.00 0.00 H ATOM 314 N VAL A 22 2.955 -4.756 -5.450 1.00 0.00 N ATOM 315 CA VAL A 22 4.423 -4.985 -5.133 1.00 0.00 C ATOM 316 C VAL A 22 4.701 -6.102 -4.078 1.00 0.00 C ATOM 317 O VAL A 22 3.810 -6.539 -3.369 1.00 0.00 O ATOM 318 CB VAL A 22 5.038 -3.652 -4.631 1.00 0.00 C ATOM 319 CG1 VAL A 22 4.787 -2.550 -5.680 1.00 0.00 C ATOM 320 CG2 VAL A 22 4.389 -3.204 -3.316 1.00 0.00 C ATOM 321 H VAL A 22 2.427 -4.081 -4.966 1.00 0.00 H ATOM 322 HA VAL A 22 4.942 -5.270 -6.037 1.00 0.00 H ATOM 323 HB VAL A 22 6.106 -3.796 -4.500 1.00 0.00 H ATOM 324 HG11 VAL A 22 3.730 -2.398 -5.857 1.00 0.00 H ATOM 325 HG12 VAL A 22 5.216 -1.614 -5.357 1.00 0.00 H ATOM 326 HG13 VAL A 22 5.251 -2.834 -6.616 1.00 0.00 H ATOM 327 HG21 VAL A 22 4.504 -3.969 -2.562 1.00 0.00 H ATOM 328 HG22 VAL A 22 4.880 -2.308 -2.970 1.00 0.00 H ATOM 329 HG23 VAL A 22 3.335 -3.010 -3.454 1.00 0.00 H ATOM 330 N LYS A 23 5.929 -6.537 -4.007 1.00 0.00 N ATOM 331 CA LYS A 23 6.389 -7.615 -3.059 1.00 0.00 C ATOM 332 C LYS A 23 7.688 -7.299 -2.241 1.00 0.00 C ATOM 333 O LYS A 23 8.180 -6.195 -2.141 1.00 0.00 O ATOM 334 CB LYS A 23 6.581 -8.936 -3.924 1.00 0.00 C ATOM 335 CG LYS A 23 5.446 -9.123 -4.965 1.00 0.00 C ATOM 336 CD LYS A 23 4.094 -9.334 -4.206 1.00 0.00 C ATOM 337 CE LYS A 23 2.919 -8.891 -5.046 1.00 0.00 C ATOM 338 NZ LYS A 23 2.908 -9.769 -6.258 1.00 0.00 N ATOM 339 H LYS A 23 6.588 -6.134 -4.610 1.00 0.00 H ATOM 340 HA LYS A 23 5.618 -7.767 -2.315 1.00 0.00 H ATOM 341 HB2 LYS A 23 7.521 -8.855 -4.457 1.00 0.00 H ATOM 342 HB3 LYS A 23 6.642 -9.804 -3.283 1.00 0.00 H ATOM 343 HG2 LYS A 23 5.425 -8.245 -5.610 1.00 0.00 H ATOM 344 HG3 LYS A 23 5.707 -9.971 -5.587 1.00 0.00 H ATOM 345 HD2 LYS A 23 3.980 -10.365 -3.910 1.00 0.00 H ATOM 346 HD3 LYS A 23 4.062 -8.742 -3.307 1.00 0.00 H ATOM 347 HE2 LYS A 23 2.006 -8.990 -4.469 1.00 0.00 H ATOM 348 HE3 LYS A 23 3.049 -7.845 -5.306 1.00 0.00 H ATOM 349 HZ1 LYS A 23 3.722 -10.413 -6.197 1.00 0.00 H ATOM 350 HZ2 LYS A 23 2.024 -10.308 -6.336 1.00 0.00 H ATOM 351 HZ3 LYS A 23 3.034 -9.145 -7.087 1.00 0.00 H ATOM 352 N VAL A 24 8.197 -8.345 -1.660 1.00 0.00 N ATOM 353 CA VAL A 24 9.442 -8.316 -0.813 1.00 0.00 C ATOM 354 C VAL A 24 10.761 -8.174 -1.641 1.00 0.00 C ATOM 355 O VAL A 24 11.407 -9.144 -1.994 1.00 0.00 O ATOM 356 CB VAL A 24 9.389 -9.634 0.042 1.00 0.00 C ATOM 357 CG1 VAL A 24 10.676 -9.858 0.844 1.00 0.00 C ATOM 358 CG2 VAL A 24 8.254 -9.506 1.078 1.00 0.00 C ATOM 359 H VAL A 24 7.734 -9.188 -1.791 1.00 0.00 H ATOM 360 HA VAL A 24 9.401 -7.465 -0.145 1.00 0.00 H ATOM 361 HB VAL A 24 9.217 -10.486 -0.612 1.00 0.00 H ATOM 362 HG11 VAL A 24 10.859 -9.033 1.513 1.00 0.00 H ATOM 363 HG12 VAL A 24 10.591 -10.759 1.434 1.00 0.00 H ATOM 364 HG13 VAL A 24 11.527 -9.961 0.190 1.00 0.00 H ATOM 365 HG21 VAL A 24 8.431 -8.645 1.708 1.00 0.00 H ATOM 366 HG22 VAL A 24 7.293 -9.393 0.598 1.00 0.00 H ATOM 367 HG23 VAL A 24 8.223 -10.378 1.718 1.00 0.00 H ATOM 368 N GLY A 25 11.114 -6.945 -1.924 1.00 0.00 N ATOM 369 CA GLY A 25 12.363 -6.617 -2.720 1.00 0.00 C ATOM 370 C GLY A 25 12.113 -5.718 -3.932 1.00 0.00 C ATOM 371 O GLY A 25 13.039 -5.213 -4.546 1.00 0.00 O ATOM 372 H GLY A 25 10.542 -6.215 -1.606 1.00 0.00 H ATOM 373 HA2 GLY A 25 13.071 -6.117 -2.083 1.00 0.00 H ATOM 374 HA3 GLY A 25 12.813 -7.521 -3.100 1.00 0.00 H ATOM 375 N ASP A 26 10.866 -5.554 -4.247 1.00 0.00 N ATOM 376 CA ASP A 26 10.459 -4.711 -5.401 1.00 0.00 C ATOM 377 C ASP A 26 10.986 -3.248 -5.405 1.00 0.00 C ATOM 378 O ASP A 26 11.441 -2.682 -4.428 1.00 0.00 O ATOM 379 CB ASP A 26 8.894 -4.764 -5.441 1.00 0.00 C ATOM 380 CG ASP A 26 8.364 -6.167 -5.641 1.00 0.00 C ATOM 381 OD1 ASP A 26 8.924 -7.088 -5.089 1.00 0.00 O ATOM 382 OD2 ASP A 26 7.379 -6.235 -6.348 1.00 0.00 O ATOM 383 H ASP A 26 10.169 -6.001 -3.726 1.00 0.00 H ATOM 384 HA ASP A 26 10.846 -5.190 -6.291 1.00 0.00 H ATOM 385 HB2 ASP A 26 8.484 -4.406 -4.514 1.00 0.00 H ATOM 386 HB3 ASP A 26 8.514 -4.164 -6.248 1.00 0.00 H ATOM 387 N LYS A 27 10.877 -2.689 -6.572 1.00 0.00 N ATOM 388 CA LYS A 27 11.283 -1.332 -6.914 1.00 0.00 C ATOM 389 C LYS A 27 10.063 -0.369 -6.938 1.00 0.00 C ATOM 390 O LYS A 27 9.303 -0.365 -7.888 1.00 0.00 O ATOM 391 CB LYS A 27 12.023 -1.458 -8.302 1.00 0.00 C ATOM 392 CG LYS A 27 13.121 -2.587 -8.266 1.00 0.00 C ATOM 393 CD LYS A 27 14.265 -2.174 -7.314 1.00 0.00 C ATOM 394 CE LYS A 27 15.329 -1.345 -8.006 1.00 0.00 C ATOM 395 NZ LYS A 27 16.069 -2.309 -8.884 1.00 0.00 N ATOM 396 H LYS A 27 10.509 -3.190 -7.281 1.00 0.00 H ATOM 397 HA LYS A 27 11.911 -1.082 -6.120 1.00 0.00 H ATOM 398 HB2 LYS A 27 11.282 -1.711 -9.056 1.00 0.00 H ATOM 399 HB3 LYS A 27 12.432 -0.495 -8.566 1.00 0.00 H ATOM 400 HG2 LYS A 27 12.679 -3.508 -7.893 1.00 0.00 H ATOM 401 HG3 LYS A 27 13.468 -2.776 -9.273 1.00 0.00 H ATOM 402 HD2 LYS A 27 13.833 -1.558 -6.545 1.00 0.00 H ATOM 403 HD3 LYS A 27 14.678 -3.049 -6.828 1.00 0.00 H ATOM 404 HE2 LYS A 27 14.862 -0.555 -8.589 1.00 0.00 H ATOM 405 HE3 LYS A 27 15.984 -0.881 -7.271 1.00 0.00 H ATOM 406 HZ1 LYS A 27 15.632 -3.250 -8.776 1.00 0.00 H ATOM 407 HZ2 LYS A 27 16.022 -2.038 -9.888 1.00 0.00 H ATOM 408 HZ3 LYS A 27 17.067 -2.390 -8.600 1.00 0.00 H ATOM 409 N VAL A 28 9.904 0.416 -5.910 1.00 0.00 N ATOM 410 CA VAL A 28 8.740 1.377 -5.847 1.00 0.00 C ATOM 411 C VAL A 28 9.131 2.875 -5.892 1.00 0.00 C ATOM 412 O VAL A 28 10.169 3.325 -5.444 1.00 0.00 O ATOM 413 CB VAL A 28 7.923 1.128 -4.519 1.00 0.00 C ATOM 414 CG1 VAL A 28 6.552 1.831 -4.562 1.00 0.00 C ATOM 415 CG2 VAL A 28 7.684 -0.349 -4.237 1.00 0.00 C ATOM 416 H VAL A 28 10.548 0.394 -5.171 1.00 0.00 H ATOM 417 HA VAL A 28 8.085 1.194 -6.688 1.00 0.00 H ATOM 418 HB VAL A 28 8.482 1.544 -3.685 1.00 0.00 H ATOM 419 HG11 VAL A 28 5.945 1.485 -5.388 1.00 0.00 H ATOM 420 HG12 VAL A 28 5.996 1.649 -3.651 1.00 0.00 H ATOM 421 HG13 VAL A 28 6.698 2.897 -4.650 1.00 0.00 H ATOM 422 HG21 VAL A 28 7.159 -0.814 -5.056 1.00 0.00 H ATOM 423 HG22 VAL A 28 8.637 -0.839 -4.105 1.00 0.00 H ATOM 424 HG23 VAL A 28 7.110 -0.457 -3.325 1.00 0.00 H ATOM 425 N ALA A 29 8.244 3.630 -6.460 1.00 0.00 N ATOM 426 CA ALA A 29 8.410 5.078 -6.592 1.00 0.00 C ATOM 427 C ALA A 29 7.066 5.771 -6.357 1.00 0.00 C ATOM 428 O ALA A 29 6.025 5.176 -6.560 1.00 0.00 O ATOM 429 CB ALA A 29 8.961 5.364 -7.983 1.00 0.00 C ATOM 430 H ALA A 29 7.432 3.254 -6.807 1.00 0.00 H ATOM 431 HA ALA A 29 9.065 5.360 -5.818 1.00 0.00 H ATOM 432 HB1 ALA A 29 8.299 4.994 -8.752 1.00 0.00 H ATOM 433 HB2 ALA A 29 9.067 6.435 -8.082 1.00 0.00 H ATOM 434 HB3 ALA A 29 9.927 4.895 -8.080 1.00 0.00 H ATOM 435 N ALA A 30 7.129 7.001 -5.940 1.00 0.00 N ATOM 436 CA ALA A 30 5.857 7.762 -5.681 1.00 0.00 C ATOM 437 C ALA A 30 4.962 7.742 -6.954 1.00 0.00 C ATOM 438 O ALA A 30 5.438 7.423 -8.026 1.00 0.00 O ATOM 439 CB ALA A 30 6.270 9.198 -5.269 1.00 0.00 C ATOM 440 H ALA A 30 8.014 7.392 -5.816 1.00 0.00 H ATOM 441 HA ALA A 30 5.294 7.249 -4.905 1.00 0.00 H ATOM 442 HB1 ALA A 30 6.902 9.193 -4.395 1.00 0.00 H ATOM 443 HB2 ALA A 30 6.787 9.685 -6.083 1.00 0.00 H ATOM 444 HB3 ALA A 30 5.383 9.777 -5.048 1.00 0.00 H ATOM 445 N GLU A 31 3.710 8.068 -6.799 1.00 0.00 N ATOM 446 CA GLU A 31 2.731 8.081 -7.955 1.00 0.00 C ATOM 447 C GLU A 31 2.555 6.683 -8.650 1.00 0.00 C ATOM 448 O GLU A 31 1.598 6.429 -9.359 1.00 0.00 O ATOM 449 CB GLU A 31 3.212 9.156 -8.990 1.00 0.00 C ATOM 450 CG GLU A 31 3.357 10.567 -8.296 1.00 0.00 C ATOM 451 CD GLU A 31 3.500 11.738 -9.274 1.00 0.00 C ATOM 452 OE1 GLU A 31 3.232 11.571 -10.450 1.00 0.00 O ATOM 453 OE2 GLU A 31 3.877 12.757 -8.730 1.00 0.00 O ATOM 454 H GLU A 31 3.421 8.315 -5.901 1.00 0.00 H ATOM 455 HA GLU A 31 1.757 8.382 -7.600 1.00 0.00 H ATOM 456 HB2 GLU A 31 4.161 8.879 -9.421 1.00 0.00 H ATOM 457 HB3 GLU A 31 2.495 9.242 -9.801 1.00 0.00 H ATOM 458 HG2 GLU A 31 2.511 10.805 -7.676 1.00 0.00 H ATOM 459 HG3 GLU A 31 4.250 10.596 -7.694 1.00 0.00 H ATOM 460 N GLN A 32 3.465 5.776 -8.412 1.00 0.00 N ATOM 461 CA GLN A 32 3.410 4.410 -9.020 1.00 0.00 C ATOM 462 C GLN A 32 2.586 3.573 -8.040 1.00 0.00 C ATOM 463 O GLN A 32 3.034 3.246 -6.956 1.00 0.00 O ATOM 464 CB GLN A 32 4.860 3.881 -9.153 1.00 0.00 C ATOM 465 CG GLN A 32 4.977 2.824 -10.326 1.00 0.00 C ATOM 466 CD GLN A 32 4.042 1.615 -10.283 1.00 0.00 C ATOM 467 OE1 GLN A 32 3.729 1.042 -11.299 1.00 0.00 O ATOM 468 NE2 GLN A 32 3.550 1.145 -9.195 1.00 0.00 N ATOM 469 H GLN A 32 4.204 5.991 -7.810 1.00 0.00 H ATOM 470 HA GLN A 32 2.898 4.451 -9.973 1.00 0.00 H ATOM 471 HB2 GLN A 32 5.511 4.722 -9.363 1.00 0.00 H ATOM 472 HB3 GLN A 32 5.187 3.441 -8.218 1.00 0.00 H ATOM 473 HG2 GLN A 32 4.823 3.301 -11.279 1.00 0.00 H ATOM 474 HG3 GLN A 32 5.978 2.419 -10.328 1.00 0.00 H ATOM 475 HE21 GLN A 32 3.727 1.522 -8.314 1.00 0.00 H ATOM 476 HE22 GLN A 32 2.968 0.363 -9.273 1.00 0.00 H ATOM 477 N SER A 33 1.386 3.278 -8.436 1.00 0.00 N ATOM 478 CA SER A 33 0.490 2.467 -7.564 1.00 0.00 C ATOM 479 C SER A 33 1.150 1.335 -6.732 1.00 0.00 C ATOM 480 O SER A 33 2.002 0.601 -7.201 1.00 0.00 O ATOM 481 CB SER A 33 -0.615 1.801 -8.369 1.00 0.00 C ATOM 482 OG SER A 33 -1.546 1.576 -7.305 1.00 0.00 O ATOM 483 H SER A 33 1.067 3.597 -9.294 1.00 0.00 H ATOM 484 HA SER A 33 0.071 3.196 -6.906 1.00 0.00 H ATOM 485 HB2 SER A 33 -1.030 2.444 -9.134 1.00 0.00 H ATOM 486 HB3 SER A 33 -0.279 0.861 -8.797 1.00 0.00 H ATOM 487 HG SER A 33 -2.417 1.373 -7.712 1.00 0.00 H ATOM 488 N LEU A 34 0.720 1.221 -5.513 1.00 0.00 N ATOM 489 CA LEU A 34 1.235 0.193 -4.560 1.00 0.00 C ATOM 490 C LEU A 34 0.319 -1.038 -4.349 1.00 0.00 C ATOM 491 O LEU A 34 0.687 -2.175 -4.577 1.00 0.00 O ATOM 492 CB LEU A 34 1.455 0.924 -3.221 1.00 0.00 C ATOM 493 CG LEU A 34 2.888 1.208 -2.978 1.00 0.00 C ATOM 494 CD1 LEU A 34 2.944 1.904 -1.640 1.00 0.00 C ATOM 495 CD2 LEU A 34 3.633 -0.095 -2.813 1.00 0.00 C ATOM 496 H LEU A 34 0.034 1.839 -5.205 1.00 0.00 H ATOM 497 HA LEU A 34 2.173 -0.170 -4.959 1.00 0.00 H ATOM 498 HB2 LEU A 34 1.018 1.914 -3.295 1.00 0.00 H ATOM 499 HB3 LEU A 34 0.978 0.416 -2.394 1.00 0.00 H ATOM 500 HG LEU A 34 3.258 1.813 -3.799 1.00 0.00 H ATOM 501 HD11 LEU A 34 2.298 2.770 -1.674 1.00 0.00 H ATOM 502 HD12 LEU A 34 2.584 1.255 -0.854 1.00 0.00 H ATOM 503 HD13 LEU A 34 3.963 2.198 -1.435 1.00 0.00 H ATOM 504 HD21 LEU A 34 3.215 -0.666 -1.996 1.00 0.00 H ATOM 505 HD22 LEU A 34 3.567 -0.676 -3.716 1.00 0.00 H ATOM 506 HD23 LEU A 34 4.671 0.099 -2.611 1.00 0.00 H ATOM 507 N ILE A 35 -0.862 -0.720 -3.891 1.00 0.00 N ATOM 508 CA ILE A 35 -1.940 -1.733 -3.599 1.00 0.00 C ATOM 509 C ILE A 35 -3.374 -1.276 -4.007 1.00 0.00 C ATOM 510 O ILE A 35 -3.820 -0.186 -3.687 1.00 0.00 O ATOM 511 CB ILE A 35 -1.905 -2.069 -2.059 1.00 0.00 C ATOM 512 CG1 ILE A 35 -2.140 -0.797 -1.219 1.00 0.00 C ATOM 513 CG2 ILE A 35 -0.507 -2.650 -1.707 1.00 0.00 C ATOM 514 CD1 ILE A 35 -2.317 -1.180 0.274 1.00 0.00 C ATOM 515 H ILE A 35 -1.036 0.233 -3.743 1.00 0.00 H ATOM 516 HA ILE A 35 -1.726 -2.664 -4.115 1.00 0.00 H ATOM 517 HB ILE A 35 -2.679 -2.785 -1.823 1.00 0.00 H ATOM 518 HG12 ILE A 35 -1.323 -0.097 -1.342 1.00 0.00 H ATOM 519 HG13 ILE A 35 -3.046 -0.308 -1.547 1.00 0.00 H ATOM 520 HG21 ILE A 35 -0.273 -3.489 -2.347 1.00 0.00 H ATOM 521 HG22 ILE A 35 0.268 -1.912 -1.855 1.00 0.00 H ATOM 522 HG23 ILE A 35 -0.469 -2.974 -0.677 1.00 0.00 H ATOM 523 HD11 ILE A 35 -3.160 -1.846 0.383 1.00 0.00 H ATOM 524 HD12 ILE A 35 -1.435 -1.662 0.664 1.00 0.00 H ATOM 525 HD13 ILE A 35 -2.503 -0.291 0.856 1.00 0.00 H ATOM 526 N THR A 36 -4.065 -2.126 -4.704 1.00 0.00 N ATOM 527 CA THR A 36 -5.463 -1.841 -5.161 1.00 0.00 C ATOM 528 C THR A 36 -6.354 -2.210 -3.958 1.00 0.00 C ATOM 529 O THR A 36 -6.309 -3.332 -3.473 1.00 0.00 O ATOM 530 CB THR A 36 -5.732 -2.735 -6.374 1.00 0.00 C ATOM 531 OG1 THR A 36 -4.545 -2.583 -7.124 1.00 0.00 O ATOM 532 CG2 THR A 36 -6.762 -2.212 -7.311 1.00 0.00 C ATOM 533 H THR A 36 -3.692 -2.983 -4.984 1.00 0.00 H ATOM 534 HA THR A 36 -5.586 -0.794 -5.399 1.00 0.00 H ATOM 535 HB THR A 36 -5.885 -3.776 -6.133 1.00 0.00 H ATOM 536 HG1 THR A 36 -4.732 -2.270 -8.027 1.00 0.00 H ATOM 537 HG21 THR A 36 -7.699 -2.093 -6.788 1.00 0.00 H ATOM 538 HG22 THR A 36 -6.472 -1.267 -7.723 1.00 0.00 H ATOM 539 HG23 THR A 36 -6.883 -2.911 -8.128 1.00 0.00 H ATOM 540 N VAL A 37 -7.125 -1.263 -3.509 1.00 0.00 N ATOM 541 CA VAL A 37 -8.049 -1.454 -2.337 1.00 0.00 C ATOM 542 C VAL A 37 -9.570 -1.338 -2.660 1.00 0.00 C ATOM 543 O VAL A 37 -10.010 -0.514 -3.442 1.00 0.00 O ATOM 544 CB VAL A 37 -7.588 -0.411 -1.249 1.00 0.00 C ATOM 545 CG1 VAL A 37 -6.144 -0.753 -0.829 1.00 0.00 C ATOM 546 CG2 VAL A 37 -7.527 1.024 -1.826 1.00 0.00 C ATOM 547 H VAL A 37 -7.098 -0.395 -3.958 1.00 0.00 H ATOM 548 HA VAL A 37 -7.891 -2.451 -1.970 1.00 0.00 H ATOM 549 HB VAL A 37 -8.238 -0.451 -0.381 1.00 0.00 H ATOM 550 HG11 VAL A 37 -5.485 -0.745 -1.685 1.00 0.00 H ATOM 551 HG12 VAL A 37 -5.777 -0.037 -0.109 1.00 0.00 H ATOM 552 HG13 VAL A 37 -6.118 -1.735 -0.388 1.00 0.00 H ATOM 553 HG21 VAL A 37 -8.490 1.311 -2.220 1.00 0.00 H ATOM 554 HG22 VAL A 37 -7.260 1.719 -1.042 1.00 0.00 H ATOM 555 HG23 VAL A 37 -6.789 1.097 -2.614 1.00 0.00 H ATOM 556 N GLU A 38 -10.322 -2.185 -2.017 1.00 0.00 N ATOM 557 CA GLU A 38 -11.823 -2.264 -2.184 1.00 0.00 C ATOM 558 C GLU A 38 -12.648 -2.077 -0.875 1.00 0.00 C ATOM 559 O GLU A 38 -12.101 -1.733 0.160 1.00 0.00 O ATOM 560 CB GLU A 38 -12.047 -3.644 -2.838 1.00 0.00 C ATOM 561 CG GLU A 38 -12.825 -3.497 -4.187 1.00 0.00 C ATOM 562 CD GLU A 38 -12.329 -4.506 -5.226 1.00 0.00 C ATOM 563 OE1 GLU A 38 -11.159 -4.406 -5.538 1.00 0.00 O ATOM 564 OE2 GLU A 38 -13.123 -5.318 -5.647 1.00 0.00 O ATOM 565 H GLU A 38 -9.895 -2.805 -1.388 1.00 0.00 H ATOM 566 HA GLU A 38 -12.151 -1.487 -2.864 1.00 0.00 H ATOM 567 HB2 GLU A 38 -11.101 -4.133 -3.024 1.00 0.00 H ATOM 568 HB3 GLU A 38 -12.618 -4.292 -2.179 1.00 0.00 H ATOM 569 HG2 GLU A 38 -13.873 -3.698 -4.029 1.00 0.00 H ATOM 570 HG3 GLU A 38 -12.718 -2.523 -4.636 1.00 0.00 H ATOM 571 N GLY A 39 -13.936 -2.310 -0.963 1.00 0.00 N ATOM 572 CA GLY A 39 -14.858 -2.172 0.242 1.00 0.00 C ATOM 573 C GLY A 39 -16.353 -1.912 -0.015 1.00 0.00 C ATOM 574 O GLY A 39 -17.181 -2.449 0.694 1.00 0.00 O ATOM 575 H GLY A 39 -14.297 -2.575 -1.837 1.00 0.00 H ATOM 576 HA2 GLY A 39 -14.815 -3.108 0.776 1.00 0.00 H ATOM 577 HA3 GLY A 39 -14.495 -1.396 0.901 1.00 0.00 H ATOM 578 N ASP A 40 -16.706 -1.109 -0.979 1.00 0.00 N ATOM 579 CA ASP A 40 -18.160 -0.840 -1.245 1.00 0.00 C ATOM 580 C ASP A 40 -18.727 -1.433 -2.590 1.00 0.00 C ATOM 581 O ASP A 40 -18.977 -2.612 -2.769 1.00 0.00 O ATOM 582 CB ASP A 40 -18.244 0.740 -1.129 1.00 0.00 C ATOM 583 CG ASP A 40 -17.428 1.440 -2.197 1.00 0.00 C ATOM 584 OD1 ASP A 40 -16.228 1.293 -2.170 1.00 0.00 O ATOM 585 OD2 ASP A 40 -18.065 2.083 -3.008 1.00 0.00 O ATOM 586 H ASP A 40 -16.026 -0.659 -1.531 1.00 0.00 H ATOM 587 HA ASP A 40 -18.755 -1.288 -0.462 1.00 0.00 H ATOM 588 HB2 ASP A 40 -19.263 1.072 -1.190 1.00 0.00 H ATOM 589 HB3 ASP A 40 -17.834 1.047 -0.179 1.00 0.00 H ATOM 590 N LYS A 41 -18.935 -0.540 -3.502 1.00 0.00 N ATOM 591 CA LYS A 41 -19.442 -0.747 -4.855 1.00 0.00 C ATOM 592 C LYS A 41 -18.346 -0.299 -5.864 1.00 0.00 C ATOM 593 O LYS A 41 -18.460 -0.573 -7.046 1.00 0.00 O ATOM 594 CB LYS A 41 -20.753 0.097 -4.991 1.00 0.00 C ATOM 595 CG LYS A 41 -21.747 -0.145 -3.797 1.00 0.00 C ATOM 596 CD LYS A 41 -22.088 -1.646 -3.664 1.00 0.00 C ATOM 597 CE LYS A 41 -22.803 -2.194 -4.897 1.00 0.00 C ATOM 598 NZ LYS A 41 -22.578 -3.672 -4.841 1.00 0.00 N ATOM 599 H LYS A 41 -18.749 0.366 -3.280 1.00 0.00 H ATOM 600 HA LYS A 41 -19.568 -1.786 -4.958 1.00 0.00 H ATOM 601 HB2 LYS A 41 -20.439 1.134 -4.953 1.00 0.00 H ATOM 602 HB3 LYS A 41 -21.205 -0.057 -5.960 1.00 0.00 H ATOM 603 HG2 LYS A 41 -21.244 0.175 -2.888 1.00 0.00 H ATOM 604 HG3 LYS A 41 -22.630 0.475 -3.908 1.00 0.00 H ATOM 605 HD2 LYS A 41 -21.161 -2.174 -3.493 1.00 0.00 H ATOM 606 HD3 LYS A 41 -22.703 -1.775 -2.782 1.00 0.00 H ATOM 607 HE2 LYS A 41 -23.865 -1.957 -4.835 1.00 0.00 H ATOM 608 HE3 LYS A 41 -22.423 -1.774 -5.826 1.00 0.00 H ATOM 609 HZ1 LYS A 41 -22.008 -3.893 -3.993 1.00 0.00 H ATOM 610 HZ2 LYS A 41 -23.476 -4.196 -4.796 1.00 0.00 H ATOM 611 HZ3 LYS A 41 -22.035 -3.990 -5.673 1.00 0.00 H ATOM 612 N ALA A 42 -17.340 0.367 -5.363 1.00 0.00 N ATOM 613 CA ALA A 42 -16.208 0.876 -6.203 1.00 0.00 C ATOM 614 C ALA A 42 -14.819 0.225 -5.957 1.00 0.00 C ATOM 615 O ALA A 42 -14.583 -0.488 -5.005 1.00 0.00 O ATOM 616 CB ALA A 42 -16.172 2.389 -5.934 1.00 0.00 C ATOM 617 H ALA A 42 -17.317 0.546 -4.393 1.00 0.00 H ATOM 618 HA ALA A 42 -16.455 0.695 -7.243 1.00 0.00 H ATOM 619 HB1 ALA A 42 -16.028 2.539 -4.867 1.00 0.00 H ATOM 620 HB2 ALA A 42 -15.367 2.873 -6.463 1.00 0.00 H ATOM 621 HB3 ALA A 42 -17.110 2.848 -6.208 1.00 0.00 H ATOM 622 N SER A 43 -13.921 0.509 -6.857 1.00 0.00 N ATOM 623 CA SER A 43 -12.517 -0.034 -6.763 1.00 0.00 C ATOM 624 C SER A 43 -11.515 1.141 -6.595 1.00 0.00 C ATOM 625 O SER A 43 -11.509 2.053 -7.402 1.00 0.00 O ATOM 626 CB SER A 43 -12.239 -0.828 -8.058 1.00 0.00 C ATOM 627 OG SER A 43 -12.347 0.141 -9.107 1.00 0.00 O ATOM 628 H SER A 43 -14.161 1.080 -7.614 1.00 0.00 H ATOM 629 HA SER A 43 -12.425 -0.702 -5.916 1.00 0.00 H ATOM 630 HB2 SER A 43 -11.257 -1.288 -8.049 1.00 0.00 H ATOM 631 HB3 SER A 43 -12.995 -1.593 -8.214 1.00 0.00 H ATOM 632 HG SER A 43 -12.031 1.005 -8.804 1.00 0.00 H ATOM 633 N MET A 44 -10.698 1.146 -5.583 1.00 0.00 N ATOM 634 CA MET A 44 -9.715 2.282 -5.414 1.00 0.00 C ATOM 635 C MET A 44 -8.247 1.783 -5.375 1.00 0.00 C ATOM 636 O MET A 44 -7.970 0.614 -5.203 1.00 0.00 O ATOM 637 CB MET A 44 -10.035 3.047 -4.082 1.00 0.00 C ATOM 638 CG MET A 44 -11.463 3.586 -4.013 1.00 0.00 C ATOM 639 SD MET A 44 -11.763 4.754 -2.664 1.00 0.00 S ATOM 640 CE MET A 44 -13.307 5.489 -3.259 1.00 0.00 C ATOM 641 H MET A 44 -10.718 0.409 -4.932 1.00 0.00 H ATOM 642 HA MET A 44 -9.787 2.967 -6.253 1.00 0.00 H ATOM 643 HB2 MET A 44 -9.918 2.370 -3.251 1.00 0.00 H ATOM 644 HB3 MET A 44 -9.346 3.869 -3.939 1.00 0.00 H ATOM 645 HG2 MET A 44 -11.733 4.049 -4.952 1.00 0.00 H ATOM 646 HG3 MET A 44 -12.120 2.743 -3.849 1.00 0.00 H ATOM 647 HE1 MET A 44 -13.633 4.997 -4.164 1.00 0.00 H ATOM 648 HE2 MET A 44 -14.080 5.345 -2.516 1.00 0.00 H ATOM 649 HE3 MET A 44 -13.166 6.542 -3.463 1.00 0.00 H ATOM 650 N GLU A 45 -7.336 2.697 -5.540 1.00 0.00 N ATOM 651 CA GLU A 45 -5.871 2.350 -5.511 1.00 0.00 C ATOM 652 C GLU A 45 -5.077 3.258 -4.573 1.00 0.00 C ATOM 653 O GLU A 45 -5.431 4.390 -4.307 1.00 0.00 O ATOM 654 CB GLU A 45 -5.253 2.457 -6.944 1.00 0.00 C ATOM 655 CG GLU A 45 -5.793 1.301 -7.839 1.00 0.00 C ATOM 656 CD GLU A 45 -4.881 0.873 -8.983 1.00 0.00 C ATOM 657 OE1 GLU A 45 -3.830 1.465 -9.163 1.00 0.00 O ATOM 658 OE2 GLU A 45 -5.332 -0.068 -9.601 1.00 0.00 O ATOM 659 H GLU A 45 -7.611 3.620 -5.686 1.00 0.00 H ATOM 660 HA GLU A 45 -5.750 1.356 -5.104 1.00 0.00 H ATOM 661 HB2 GLU A 45 -5.510 3.404 -7.398 1.00 0.00 H ATOM 662 HB3 GLU A 45 -4.172 2.397 -6.914 1.00 0.00 H ATOM 663 HG2 GLU A 45 -5.919 0.421 -7.252 1.00 0.00 H ATOM 664 HG3 GLU A 45 -6.741 1.554 -8.291 1.00 0.00 H ATOM 665 N VAL A 46 -4.005 2.708 -4.100 1.00 0.00 N ATOM 666 CA VAL A 46 -3.084 3.429 -3.165 1.00 0.00 C ATOM 667 C VAL A 46 -1.644 3.439 -3.718 1.00 0.00 C ATOM 668 O VAL A 46 -1.045 2.387 -3.803 1.00 0.00 O ATOM 669 CB VAL A 46 -3.187 2.713 -1.801 1.00 0.00 C ATOM 670 CG1 VAL A 46 -1.929 2.955 -0.933 1.00 0.00 C ATOM 671 CG2 VAL A 46 -4.377 3.287 -1.098 1.00 0.00 C ATOM 672 H VAL A 46 -3.812 1.781 -4.372 1.00 0.00 H ATOM 673 HA VAL A 46 -3.404 4.451 -3.049 1.00 0.00 H ATOM 674 HB VAL A 46 -3.431 1.674 -1.930 1.00 0.00 H ATOM 675 HG11 VAL A 46 -1.788 4.012 -0.768 1.00 0.00 H ATOM 676 HG12 VAL A 46 -2.020 2.451 0.017 1.00 0.00 H ATOM 677 HG13 VAL A 46 -1.040 2.566 -1.426 1.00 0.00 H ATOM 678 HG21 VAL A 46 -4.261 4.355 -0.970 1.00 0.00 H ATOM 679 HG22 VAL A 46 -5.247 3.095 -1.719 1.00 0.00 H ATOM 680 HG23 VAL A 46 -4.515 2.815 -0.138 1.00 0.00 H ATOM 681 N PRO A 47 -1.111 4.584 -4.091 1.00 0.00 N ATOM 682 CA PRO A 47 0.285 4.669 -4.599 1.00 0.00 C ATOM 683 C PRO A 47 1.337 4.783 -3.473 1.00 0.00 C ATOM 684 O PRO A 47 1.060 4.848 -2.291 1.00 0.00 O ATOM 685 CB PRO A 47 0.220 5.884 -5.524 1.00 0.00 C ATOM 686 CG PRO A 47 -0.581 6.826 -4.602 1.00 0.00 C ATOM 687 CD PRO A 47 -1.762 5.933 -4.086 1.00 0.00 C ATOM 688 HA PRO A 47 0.526 3.774 -5.140 1.00 0.00 H ATOM 689 HB2 PRO A 47 1.200 6.279 -5.761 1.00 0.00 H ATOM 690 HB3 PRO A 47 -0.316 5.659 -6.438 1.00 0.00 H ATOM 691 HG2 PRO A 47 0.064 7.102 -3.778 1.00 0.00 H ATOM 692 HG3 PRO A 47 -0.931 7.714 -5.108 1.00 0.00 H ATOM 693 HD2 PRO A 47 -2.074 6.211 -3.085 1.00 0.00 H ATOM 694 HD3 PRO A 47 -2.612 5.947 -4.758 1.00 0.00 H ATOM 695 N ALA A 48 2.548 4.805 -3.918 1.00 0.00 N ATOM 696 CA ALA A 48 3.703 4.904 -2.995 1.00 0.00 C ATOM 697 C ALA A 48 3.971 6.234 -2.199 1.00 0.00 C ATOM 698 O ALA A 48 4.280 7.243 -2.802 1.00 0.00 O ATOM 699 CB ALA A 48 4.872 4.504 -3.851 1.00 0.00 C ATOM 700 H ALA A 48 2.693 4.736 -4.879 1.00 0.00 H ATOM 701 HA ALA A 48 3.546 4.124 -2.315 1.00 0.00 H ATOM 702 HB1 ALA A 48 4.689 3.507 -4.219 1.00 0.00 H ATOM 703 HB2 ALA A 48 4.934 5.190 -4.678 1.00 0.00 H ATOM 704 HB3 ALA A 48 5.796 4.522 -3.294 1.00 0.00 H ATOM 705 N PRO A 49 3.869 6.222 -0.878 1.00 0.00 N ATOM 706 CA PRO A 49 4.137 7.448 -0.034 1.00 0.00 C ATOM 707 C PRO A 49 5.452 8.177 -0.438 1.00 0.00 C ATOM 708 O PRO A 49 5.629 9.369 -0.275 1.00 0.00 O ATOM 709 CB PRO A 49 4.108 6.868 1.422 1.00 0.00 C ATOM 710 CG PRO A 49 4.371 5.352 1.217 1.00 0.00 C ATOM 711 CD PRO A 49 3.522 5.048 -0.020 1.00 0.00 C ATOM 712 HA PRO A 49 3.331 8.155 -0.176 1.00 0.00 H ATOM 713 HB2 PRO A 49 4.858 7.320 2.051 1.00 0.00 H ATOM 714 HB3 PRO A 49 3.140 7.025 1.878 1.00 0.00 H ATOM 715 HG2 PRO A 49 5.415 5.126 1.041 1.00 0.00 H ATOM 716 HG3 PRO A 49 4.031 4.771 2.063 1.00 0.00 H ATOM 717 HD2 PRO A 49 3.863 4.121 -0.445 1.00 0.00 H ATOM 718 HD3 PRO A 49 2.458 5.018 0.184 1.00 0.00 H ATOM 719 N PHE A 50 6.334 7.378 -0.962 1.00 0.00 N ATOM 720 CA PHE A 50 7.687 7.812 -1.445 1.00 0.00 C ATOM 721 C PHE A 50 8.376 6.708 -2.302 1.00 0.00 C ATOM 722 O PHE A 50 7.796 5.683 -2.597 1.00 0.00 O ATOM 723 CB PHE A 50 8.522 8.210 -0.173 1.00 0.00 C ATOM 724 CG PHE A 50 8.830 7.021 0.742 1.00 0.00 C ATOM 725 CD1 PHE A 50 9.944 6.262 0.491 1.00 0.00 C ATOM 726 CD2 PHE A 50 8.023 6.682 1.811 1.00 0.00 C ATOM 727 CE1 PHE A 50 10.271 5.194 1.283 1.00 0.00 C ATOM 728 CE2 PHE A 50 8.346 5.602 2.615 1.00 0.00 C ATOM 729 CZ PHE A 50 9.477 4.854 2.344 1.00 0.00 C ATOM 730 H PHE A 50 6.051 6.445 -1.043 1.00 0.00 H ATOM 731 HA PHE A 50 7.589 8.668 -2.091 1.00 0.00 H ATOM 732 HB2 PHE A 50 9.445 8.695 -0.450 1.00 0.00 H ATOM 733 HB3 PHE A 50 7.943 8.931 0.389 1.00 0.00 H ATOM 734 HD1 PHE A 50 10.582 6.508 -0.340 1.00 0.00 H ATOM 735 HD2 PHE A 50 7.133 7.265 2.013 1.00 0.00 H ATOM 736 HE1 PHE A 50 11.150 4.611 1.047 1.00 0.00 H ATOM 737 HE2 PHE A 50 7.710 5.336 3.452 1.00 0.00 H ATOM 738 HZ PHE A 50 9.770 4.010 2.953 1.00 0.00 H ATOM 739 N ALA A 51 9.596 6.962 -2.684 1.00 0.00 N ATOM 740 CA ALA A 51 10.432 6.069 -3.498 1.00 0.00 C ATOM 741 C ALA A 51 11.484 5.121 -2.802 1.00 0.00 C ATOM 742 O ALA A 51 11.852 5.288 -1.653 1.00 0.00 O ATOM 743 CB ALA A 51 11.117 6.998 -4.533 1.00 0.00 C ATOM 744 H ALA A 51 10.004 7.771 -2.453 1.00 0.00 H ATOM 745 HA ALA A 51 9.709 5.506 -3.982 1.00 0.00 H ATOM 746 HB1 ALA A 51 10.377 7.504 -5.132 1.00 0.00 H ATOM 747 HB2 ALA A 51 11.724 7.741 -4.031 1.00 0.00 H ATOM 748 HB3 ALA A 51 11.756 6.427 -5.194 1.00 0.00 H ATOM 749 N GLY A 52 11.939 4.151 -3.553 1.00 0.00 N ATOM 750 CA GLY A 52 12.960 3.139 -3.058 1.00 0.00 C ATOM 751 C GLY A 52 12.522 1.691 -3.309 1.00 0.00 C ATOM 752 O GLY A 52 11.912 1.385 -4.312 1.00 0.00 O ATOM 753 H GLY A 52 11.586 4.085 -4.468 1.00 0.00 H ATOM 754 HA2 GLY A 52 13.898 3.292 -3.567 1.00 0.00 H ATOM 755 HA3 GLY A 52 13.111 3.274 -1.999 1.00 0.00 H ATOM 756 N VAL A 53 12.854 0.817 -2.406 1.00 0.00 N ATOM 757 CA VAL A 53 12.485 -0.619 -2.525 1.00 0.00 C ATOM 758 C VAL A 53 11.648 -1.110 -1.326 1.00 0.00 C ATOM 759 O VAL A 53 11.554 -0.464 -0.292 1.00 0.00 O ATOM 760 CB VAL A 53 13.771 -1.442 -2.624 1.00 0.00 C ATOM 761 CG1 VAL A 53 14.365 -1.349 -4.013 1.00 0.00 C ATOM 762 CG2 VAL A 53 14.833 -1.049 -1.595 1.00 0.00 C ATOM 763 H VAL A 53 13.358 1.030 -1.604 1.00 0.00 H ATOM 764 HA VAL A 53 11.878 -0.768 -3.407 1.00 0.00 H ATOM 765 HB VAL A 53 13.479 -2.444 -2.397 1.00 0.00 H ATOM 766 HG11 VAL A 53 14.542 -0.325 -4.297 1.00 0.00 H ATOM 767 HG12 VAL A 53 15.279 -1.921 -4.074 1.00 0.00 H ATOM 768 HG13 VAL A 53 13.627 -1.798 -4.655 1.00 0.00 H ATOM 769 HG21 VAL A 53 14.433 -1.164 -0.595 1.00 0.00 H ATOM 770 HG22 VAL A 53 15.696 -1.695 -1.675 1.00 0.00 H ATOM 771 HG23 VAL A 53 15.159 -0.033 -1.721 1.00 0.00 H ATOM 772 N VAL A 54 11.072 -2.264 -1.507 1.00 0.00 N ATOM 773 CA VAL A 54 10.223 -2.878 -0.428 1.00 0.00 C ATOM 774 C VAL A 54 11.053 -3.915 0.351 1.00 0.00 C ATOM 775 O VAL A 54 11.841 -4.631 -0.230 1.00 0.00 O ATOM 776 CB VAL A 54 9.019 -3.578 -1.072 1.00 0.00 C ATOM 777 CG1 VAL A 54 7.967 -3.995 -0.028 1.00 0.00 C ATOM 778 CG2 VAL A 54 8.361 -2.693 -2.124 1.00 0.00 C ATOM 779 H VAL A 54 11.201 -2.722 -2.372 1.00 0.00 H ATOM 780 HA VAL A 54 9.890 -2.112 0.252 1.00 0.00 H ATOM 781 HB VAL A 54 9.408 -4.451 -1.584 1.00 0.00 H ATOM 782 HG11 VAL A 54 8.389 -4.672 0.699 1.00 0.00 H ATOM 783 HG12 VAL A 54 7.561 -3.134 0.481 1.00 0.00 H ATOM 784 HG13 VAL A 54 7.164 -4.515 -0.533 1.00 0.00 H ATOM 785 HG21 VAL A 54 8.092 -1.739 -1.704 1.00 0.00 H ATOM 786 HG22 VAL A 54 9.057 -2.530 -2.937 1.00 0.00 H ATOM 787 HG23 VAL A 54 7.483 -3.175 -2.531 1.00 0.00 H ATOM 788 N LYS A 55 10.861 -3.986 1.638 1.00 0.00 N ATOM 789 CA LYS A 55 11.640 -4.976 2.455 1.00 0.00 C ATOM 790 C LYS A 55 10.714 -6.040 3.100 1.00 0.00 C ATOM 791 O LYS A 55 10.836 -7.195 2.768 1.00 0.00 O ATOM 792 CB LYS A 55 12.427 -4.131 3.496 1.00 0.00 C ATOM 793 CG LYS A 55 13.633 -4.943 3.994 1.00 0.00 C ATOM 794 CD LYS A 55 14.581 -3.957 4.719 1.00 0.00 C ATOM 795 CE LYS A 55 15.884 -4.599 5.113 1.00 0.00 C ATOM 796 NZ LYS A 55 16.678 -3.528 5.757 1.00 0.00 N ATOM 797 H LYS A 55 10.211 -3.389 2.061 1.00 0.00 H ATOM 798 HA LYS A 55 12.321 -5.525 1.811 1.00 0.00 H ATOM 799 HB2 LYS A 55 12.748 -3.213 3.021 1.00 0.00 H ATOM 800 HB3 LYS A 55 11.782 -3.865 4.321 1.00 0.00 H ATOM 801 HG2 LYS A 55 13.295 -5.731 4.660 1.00 0.00 H ATOM 802 HG3 LYS A 55 14.135 -5.380 3.140 1.00 0.00 H ATOM 803 HD2 LYS A 55 14.805 -3.122 4.060 1.00 0.00 H ATOM 804 HD3 LYS A 55 14.090 -3.590 5.607 1.00 0.00 H ATOM 805 HE2 LYS A 55 15.731 -5.445 5.778 1.00 0.00 H ATOM 806 HE3 LYS A 55 16.405 -4.948 4.226 1.00 0.00 H ATOM 807 HZ1 LYS A 55 16.212 -2.597 5.685 1.00 0.00 H ATOM 808 HZ2 LYS A 55 16.971 -3.693 6.725 1.00 0.00 H ATOM 809 HZ3 LYS A 55 17.527 -3.339 5.175 1.00 0.00 H ATOM 810 N GLU A 56 9.833 -5.639 3.977 1.00 0.00 N ATOM 811 CA GLU A 56 8.879 -6.616 4.654 1.00 0.00 C ATOM 812 C GLU A 56 7.410 -6.071 4.714 1.00 0.00 C ATOM 813 O GLU A 56 7.210 -4.871 4.606 1.00 0.00 O ATOM 814 CB GLU A 56 9.498 -6.876 6.071 1.00 0.00 C ATOM 815 CG GLU A 56 8.502 -7.612 7.049 1.00 0.00 C ATOM 816 CD GLU A 56 7.957 -8.928 6.513 1.00 0.00 C ATOM 817 OE1 GLU A 56 8.770 -9.749 6.152 1.00 0.00 O ATOM 818 OE2 GLU A 56 6.743 -8.992 6.516 1.00 0.00 O ATOM 819 H GLU A 56 9.787 -4.681 4.193 1.00 0.00 H ATOM 820 HA GLU A 56 8.858 -7.553 4.113 1.00 0.00 H ATOM 821 HB2 GLU A 56 10.363 -7.517 5.939 1.00 0.00 H ATOM 822 HB3 GLU A 56 9.842 -5.955 6.511 1.00 0.00 H ATOM 823 HG2 GLU A 56 9.021 -7.870 7.956 1.00 0.00 H ATOM 824 HG3 GLU A 56 7.665 -6.985 7.299 1.00 0.00 H ATOM 825 N LEU A 57 6.404 -6.892 4.861 1.00 0.00 N ATOM 826 CA LEU A 57 4.986 -6.397 4.934 1.00 0.00 C ATOM 827 C LEU A 57 4.032 -7.377 5.676 1.00 0.00 C ATOM 828 O LEU A 57 3.758 -8.482 5.257 1.00 0.00 O ATOM 829 CB LEU A 57 4.486 -6.110 3.472 1.00 0.00 C ATOM 830 CG LEU A 57 4.169 -7.329 2.612 1.00 0.00 C ATOM 831 CD1 LEU A 57 3.546 -6.800 1.319 1.00 0.00 C ATOM 832 CD2 LEU A 57 5.435 -8.099 2.254 1.00 0.00 C ATOM 833 H LEU A 57 6.564 -7.863 4.933 1.00 0.00 H ATOM 834 HA LEU A 57 4.978 -5.472 5.490 1.00 0.00 H ATOM 835 HB2 LEU A 57 3.595 -5.505 3.553 1.00 0.00 H ATOM 836 HB3 LEU A 57 5.247 -5.540 2.958 1.00 0.00 H ATOM 837 HG LEU A 57 3.484 -7.969 3.144 1.00 0.00 H ATOM 838 HD11 LEU A 57 4.219 -6.117 0.816 1.00 0.00 H ATOM 839 HD12 LEU A 57 3.297 -7.614 0.650 1.00 0.00 H ATOM 840 HD13 LEU A 57 2.634 -6.275 1.560 1.00 0.00 H ATOM 841 HD21 LEU A 57 6.143 -7.464 1.745 1.00 0.00 H ATOM 842 HD22 LEU A 57 5.883 -8.488 3.157 1.00 0.00 H ATOM 843 HD23 LEU A 57 5.195 -8.940 1.620 1.00 0.00 H ATOM 844 N LYS A 58 3.502 -6.946 6.785 1.00 0.00 N ATOM 845 CA LYS A 58 2.573 -7.841 7.556 1.00 0.00 C ATOM 846 C LYS A 58 1.117 -7.604 7.083 1.00 0.00 C ATOM 847 O LYS A 58 0.238 -7.345 7.878 1.00 0.00 O ATOM 848 CB LYS A 58 2.730 -7.507 9.064 1.00 0.00 C ATOM 849 CG LYS A 58 4.213 -7.559 9.487 1.00 0.00 C ATOM 850 CD LYS A 58 4.258 -7.317 11.023 1.00 0.00 C ATOM 851 CE LYS A 58 5.505 -6.545 11.403 1.00 0.00 C ATOM 852 NZ LYS A 58 5.425 -6.362 12.893 1.00 0.00 N ATOM 853 H LYS A 58 3.714 -6.047 7.092 1.00 0.00 H ATOM 854 HA LYS A 58 2.825 -8.879 7.368 1.00 0.00 H ATOM 855 HB2 LYS A 58 2.311 -6.521 9.227 1.00 0.00 H ATOM 856 HB3 LYS A 58 2.131 -8.211 9.631 1.00 0.00 H ATOM 857 HG2 LYS A 58 4.628 -8.530 9.220 1.00 0.00 H ATOM 858 HG3 LYS A 58 4.768 -6.813 8.934 1.00 0.00 H ATOM 859 HD2 LYS A 58 3.373 -6.780 11.338 1.00 0.00 H ATOM 860 HD3 LYS A 58 4.256 -8.290 11.500 1.00 0.00 H ATOM 861 HE2 LYS A 58 6.403 -7.085 11.100 1.00 0.00 H ATOM 862 HE3 LYS A 58 5.499 -5.586 10.889 1.00 0.00 H ATOM 863 HZ1 LYS A 58 4.563 -6.821 13.260 1.00 0.00 H ATOM 864 HZ2 LYS A 58 6.246 -6.793 13.366 1.00 0.00 H ATOM 865 HZ3 LYS A 58 5.384 -5.353 13.148 1.00 0.00 H ATOM 866 N VAL A 59 0.939 -7.695 5.797 1.00 0.00 N ATOM 867 CA VAL A 59 -0.426 -7.487 5.178 1.00 0.00 C ATOM 868 C VAL A 59 -0.799 -8.510 4.059 1.00 0.00 C ATOM 869 O VAL A 59 0.051 -8.995 3.333 1.00 0.00 O ATOM 870 CB VAL A 59 -0.449 -6.035 4.633 1.00 0.00 C ATOM 871 CG1 VAL A 59 0.584 -5.911 3.496 1.00 0.00 C ATOM 872 CG2 VAL A 59 -1.826 -5.709 4.038 1.00 0.00 C ATOM 873 H VAL A 59 1.720 -7.901 5.237 1.00 0.00 H ATOM 874 HA VAL A 59 -1.176 -7.587 5.954 1.00 0.00 H ATOM 875 HB VAL A 59 -0.220 -5.352 5.443 1.00 0.00 H ATOM 876 HG11 VAL A 59 1.570 -6.188 3.850 1.00 0.00 H ATOM 877 HG12 VAL A 59 0.324 -6.569 2.681 1.00 0.00 H ATOM 878 HG13 VAL A 59 0.613 -4.896 3.134 1.00 0.00 H ATOM 879 HG21 VAL A 59 -2.592 -5.851 4.791 1.00 0.00 H ATOM 880 HG22 VAL A 59 -1.857 -4.682 3.714 1.00 0.00 H ATOM 881 HG23 VAL A 59 -2.053 -6.348 3.197 1.00 0.00 H ATOM 882 N ASN A 60 -2.060 -8.808 3.923 1.00 0.00 N ATOM 883 CA ASN A 60 -2.519 -9.775 2.871 1.00 0.00 C ATOM 884 C ASN A 60 -3.575 -9.234 1.852 1.00 0.00 C ATOM 885 O ASN A 60 -4.138 -8.161 1.952 1.00 0.00 O ATOM 886 CB ASN A 60 -3.048 -11.019 3.653 1.00 0.00 C ATOM 887 CG ASN A 60 -1.887 -11.861 4.144 1.00 0.00 C ATOM 888 OD1 ASN A 60 -1.192 -11.583 5.088 1.00 0.00 O ATOM 889 ND2 ASN A 60 -1.593 -12.957 3.541 1.00 0.00 N ATOM 890 H ASN A 60 -2.701 -8.383 4.540 1.00 0.00 H ATOM 891 HA ASN A 60 -1.652 -10.059 2.282 1.00 0.00 H ATOM 892 HB2 ASN A 60 -3.574 -10.686 4.540 1.00 0.00 H ATOM 893 HB3 ASN A 60 -3.695 -11.642 3.064 1.00 0.00 H ATOM 894 HD21 ASN A 60 -2.094 -13.267 2.768 1.00 0.00 H ATOM 895 HD22 ASN A 60 -0.826 -13.440 3.907 1.00 0.00 H ATOM 896 N VAL A 61 -3.854 -10.011 0.848 1.00 0.00 N ATOM 897 CA VAL A 61 -4.851 -9.550 -0.146 1.00 0.00 C ATOM 898 C VAL A 61 -6.134 -10.217 0.393 1.00 0.00 C ATOM 899 O VAL A 61 -6.354 -11.411 0.413 1.00 0.00 O ATOM 900 CB VAL A 61 -4.476 -10.062 -1.485 1.00 0.00 C ATOM 901 CG1 VAL A 61 -5.105 -9.190 -2.570 1.00 0.00 C ATOM 902 CG2 VAL A 61 -2.972 -10.075 -1.718 1.00 0.00 C ATOM 903 H VAL A 61 -3.449 -10.885 0.718 1.00 0.00 H ATOM 904 HA VAL A 61 -4.938 -8.472 -0.152 1.00 0.00 H ATOM 905 HB VAL A 61 -4.917 -11.035 -1.409 1.00 0.00 H ATOM 906 HG11 VAL A 61 -4.823 -8.145 -2.498 1.00 0.00 H ATOM 907 HG12 VAL A 61 -4.824 -9.534 -3.564 1.00 0.00 H ATOM 908 HG13 VAL A 61 -6.186 -9.227 -2.509 1.00 0.00 H ATOM 909 HG21 VAL A 61 -2.588 -9.082 -1.525 1.00 0.00 H ATOM 910 HG22 VAL A 61 -2.495 -10.776 -1.052 1.00 0.00 H ATOM 911 HG23 VAL A 61 -2.760 -10.354 -2.742 1.00 0.00 H ATOM 912 N GLY A 62 -6.899 -9.293 0.829 1.00 0.00 N ATOM 913 CA GLY A 62 -8.264 -9.483 1.466 1.00 0.00 C ATOM 914 C GLY A 62 -8.209 -8.979 2.921 1.00 0.00 C ATOM 915 O GLY A 62 -9.130 -9.151 3.694 1.00 0.00 O ATOM 916 H GLY A 62 -6.469 -8.432 0.673 1.00 0.00 H ATOM 917 HA2 GLY A 62 -9.017 -8.909 0.947 1.00 0.00 H ATOM 918 HA3 GLY A 62 -8.546 -10.530 1.480 1.00 0.00 H ATOM 919 N ASP A 63 -7.103 -8.355 3.216 1.00 0.00 N ATOM 920 CA ASP A 63 -6.799 -7.770 4.552 1.00 0.00 C ATOM 921 C ASP A 63 -7.179 -6.264 4.579 1.00 0.00 C ATOM 922 O ASP A 63 -7.615 -5.716 3.581 1.00 0.00 O ATOM 923 CB ASP A 63 -5.307 -8.066 4.740 1.00 0.00 C ATOM 924 CG ASP A 63 -4.818 -7.884 6.151 1.00 0.00 C ATOM 925 OD1 ASP A 63 -5.632 -7.610 7.015 1.00 0.00 O ATOM 926 OD2 ASP A 63 -3.620 -8.049 6.226 1.00 0.00 O ATOM 927 H ASP A 63 -6.427 -8.259 2.524 1.00 0.00 H ATOM 928 HA ASP A 63 -7.373 -8.254 5.330 1.00 0.00 H ATOM 929 HB2 ASP A 63 -5.107 -9.089 4.482 1.00 0.00 H ATOM 930 HB3 ASP A 63 -4.710 -7.416 4.128 1.00 0.00 H ATOM 931 N LYS A 64 -7.025 -5.605 5.691 1.00 0.00 N ATOM 932 CA LYS A 64 -7.396 -4.143 5.779 1.00 0.00 C ATOM 933 C LYS A 64 -6.349 -3.001 5.887 1.00 0.00 C ATOM 934 O LYS A 64 -5.300 -3.068 6.497 1.00 0.00 O ATOM 935 CB LYS A 64 -8.403 -4.003 6.996 1.00 0.00 C ATOM 936 CG LYS A 64 -9.690 -4.905 6.972 1.00 0.00 C ATOM 937 CD LYS A 64 -10.004 -5.451 5.551 1.00 0.00 C ATOM 938 CE LYS A 64 -11.446 -5.843 5.331 1.00 0.00 C ATOM 939 NZ LYS A 64 -12.229 -4.570 5.224 1.00 0.00 N ATOM 940 H LYS A 64 -6.663 -6.102 6.455 1.00 0.00 H ATOM 941 HA LYS A 64 -7.909 -3.907 4.862 1.00 0.00 H ATOM 942 HB2 LYS A 64 -7.825 -4.272 7.872 1.00 0.00 H ATOM 943 HB3 LYS A 64 -8.692 -2.968 7.127 1.00 0.00 H ATOM 944 HG2 LYS A 64 -9.500 -5.730 7.653 1.00 0.00 H ATOM 945 HG3 LYS A 64 -10.509 -4.313 7.368 1.00 0.00 H ATOM 946 HD2 LYS A 64 -9.712 -4.723 4.816 1.00 0.00 H ATOM 947 HD3 LYS A 64 -9.428 -6.350 5.391 1.00 0.00 H ATOM 948 HE2 LYS A 64 -11.511 -6.429 4.421 1.00 0.00 H ATOM 949 HE3 LYS A 64 -11.808 -6.467 6.138 1.00 0.00 H ATOM 950 HZ1 LYS A 64 -11.611 -3.740 5.312 1.00 0.00 H ATOM 951 HZ2 LYS A 64 -12.671 -4.553 4.270 1.00 0.00 H ATOM 952 HZ3 LYS A 64 -12.985 -4.482 5.926 1.00 0.00 H ATOM 953 N VAL A 65 -6.722 -1.930 5.245 1.00 0.00 N ATOM 954 CA VAL A 65 -5.911 -0.695 5.198 1.00 0.00 C ATOM 955 C VAL A 65 -6.819 0.562 5.261 1.00 0.00 C ATOM 956 O VAL A 65 -7.950 0.564 4.823 1.00 0.00 O ATOM 957 CB VAL A 65 -5.077 -0.728 3.887 1.00 0.00 C ATOM 958 CG1 VAL A 65 -3.871 -1.650 4.074 1.00 0.00 C ATOM 959 CG2 VAL A 65 -5.856 -1.307 2.698 1.00 0.00 C ATOM 960 H VAL A 65 -7.566 -1.900 4.762 1.00 0.00 H ATOM 961 HA VAL A 65 -5.271 -0.692 6.069 1.00 0.00 H ATOM 962 HB VAL A 65 -4.807 0.279 3.653 1.00 0.00 H ATOM 963 HG11 VAL A 65 -3.251 -1.330 4.897 1.00 0.00 H ATOM 964 HG12 VAL A 65 -4.198 -2.662 4.277 1.00 0.00 H ATOM 965 HG13 VAL A 65 -3.276 -1.664 3.175 1.00 0.00 H ATOM 966 HG21 VAL A 65 -6.743 -0.732 2.503 1.00 0.00 H ATOM 967 HG22 VAL A 65 -5.238 -1.285 1.815 1.00 0.00 H ATOM 968 HG23 VAL A 65 -6.147 -2.332 2.879 1.00 0.00 H ATOM 969 N LYS A 66 -6.307 1.620 5.810 1.00 0.00 N ATOM 970 CA LYS A 66 -7.081 2.901 5.927 1.00 0.00 C ATOM 971 C LYS A 66 -6.044 4.004 6.178 1.00 0.00 C ATOM 972 O LYS A 66 -4.930 3.695 6.573 1.00 0.00 O ATOM 973 CB LYS A 66 -8.102 2.756 7.113 1.00 0.00 C ATOM 974 CG LYS A 66 -7.388 2.751 8.488 1.00 0.00 C ATOM 975 CD LYS A 66 -7.214 4.241 8.978 1.00 0.00 C ATOM 976 CE LYS A 66 -6.169 4.340 10.069 1.00 0.00 C ATOM 977 NZ LYS A 66 -6.668 3.517 11.214 1.00 0.00 N ATOM 978 H LYS A 66 -5.393 1.595 6.153 1.00 0.00 H ATOM 979 HA LYS A 66 -7.595 3.112 4.997 1.00 0.00 H ATOM 980 HB2 LYS A 66 -8.824 3.566 7.055 1.00 0.00 H ATOM 981 HB3 LYS A 66 -8.664 1.832 6.997 1.00 0.00 H ATOM 982 HG2 LYS A 66 -8.021 2.188 9.164 1.00 0.00 H ATOM 983 HG3 LYS A 66 -6.440 2.236 8.387 1.00 0.00 H ATOM 984 HD2 LYS A 66 -6.929 4.917 8.189 1.00 0.00 H ATOM 985 HD3 LYS A 66 -8.163 4.617 9.342 1.00 0.00 H ATOM 986 HE2 LYS A 66 -5.212 3.979 9.696 1.00 0.00 H ATOM 987 HE3 LYS A 66 -6.052 5.385 10.353 1.00 0.00 H ATOM 988 HZ1 LYS A 66 -7.607 3.139 10.958 1.00 0.00 H ATOM 989 HZ2 LYS A 66 -6.024 2.722 11.410 1.00 0.00 H ATOM 990 HZ3 LYS A 66 -6.758 4.107 12.066 1.00 0.00 H ATOM 991 N THR A 67 -6.394 5.235 5.978 1.00 0.00 N ATOM 992 CA THR A 67 -5.420 6.354 6.203 1.00 0.00 C ATOM 993 C THR A 67 -4.525 6.263 7.437 1.00 0.00 C ATOM 994 O THR A 67 -4.923 6.303 8.588 1.00 0.00 O ATOM 995 CB THR A 67 -6.180 7.651 6.250 1.00 0.00 C ATOM 996 OG1 THR A 67 -7.286 7.422 7.100 1.00 0.00 O ATOM 997 CG2 THR A 67 -6.824 7.880 4.938 1.00 0.00 C ATOM 998 H THR A 67 -7.296 5.484 5.697 1.00 0.00 H ATOM 999 HA THR A 67 -4.776 6.424 5.343 1.00 0.00 H ATOM 1000 HB THR A 67 -5.568 8.476 6.563 1.00 0.00 H ATOM 1001 HG1 THR A 67 -7.399 8.212 7.633 1.00 0.00 H ATOM 1002 HG21 THR A 67 -6.021 7.817 4.217 1.00 0.00 H ATOM 1003 HG22 THR A 67 -7.553 7.114 4.736 1.00 0.00 H ATOM 1004 HG23 THR A 67 -7.294 8.850 4.904 1.00 0.00 H ATOM 1005 N GLY A 68 -3.280 6.115 7.114 1.00 0.00 N ATOM 1006 CA GLY A 68 -2.192 6.000 8.152 1.00 0.00 C ATOM 1007 C GLY A 68 -1.633 4.600 8.356 1.00 0.00 C ATOM 1008 O GLY A 68 -0.453 4.448 8.583 1.00 0.00 O ATOM 1009 H GLY A 68 -3.117 6.089 6.147 1.00 0.00 H ATOM 1010 HA2 GLY A 68 -1.365 6.634 7.877 1.00 0.00 H ATOM 1011 HA3 GLY A 68 -2.554 6.341 9.115 1.00 0.00 H ATOM 1012 N SER A 69 -2.490 3.620 8.253 1.00 0.00 N ATOM 1013 CA SER A 69 -2.057 2.167 8.461 1.00 0.00 C ATOM 1014 C SER A 69 -0.669 1.809 7.898 1.00 0.00 C ATOM 1015 O SER A 69 -0.391 2.141 6.764 1.00 0.00 O ATOM 1016 CB SER A 69 -3.068 1.228 7.818 1.00 0.00 C ATOM 1017 OG SER A 69 -2.796 0.012 8.512 1.00 0.00 O ATOM 1018 H SER A 69 -3.399 3.873 8.001 1.00 0.00 H ATOM 1019 HA SER A 69 -2.028 1.960 9.525 1.00 0.00 H ATOM 1020 HB2 SER A 69 -4.086 1.543 7.996 1.00 0.00 H ATOM 1021 HB3 SER A 69 -2.890 1.117 6.757 1.00 0.00 H ATOM 1022 HG SER A 69 -2.590 -0.721 7.908 1.00 0.00 H ATOM 1023 N LEU A 70 0.141 1.142 8.666 1.00 0.00 N ATOM 1024 CA LEU A 70 1.538 0.734 8.245 1.00 0.00 C ATOM 1025 C LEU A 70 1.674 -0.380 7.159 1.00 0.00 C ATOM 1026 O LEU A 70 2.315 -1.387 7.392 1.00 0.00 O ATOM 1027 CB LEU A 70 2.250 0.326 9.566 1.00 0.00 C ATOM 1028 CG LEU A 70 2.386 1.503 10.532 1.00 0.00 C ATOM 1029 CD1 LEU A 70 2.881 0.940 11.864 1.00 0.00 C ATOM 1030 CD2 LEU A 70 3.495 2.423 10.034 1.00 0.00 C ATOM 1031 H LEU A 70 -0.172 0.892 9.558 1.00 0.00 H ATOM 1032 HA LEU A 70 2.048 1.599 7.838 1.00 0.00 H ATOM 1033 HB2 LEU A 70 1.671 -0.454 10.037 1.00 0.00 H ATOM 1034 HB3 LEU A 70 3.227 -0.086 9.349 1.00 0.00 H ATOM 1035 HG LEU A 70 1.462 2.053 10.664 1.00 0.00 H ATOM 1036 HD11 LEU A 70 2.194 0.206 12.257 1.00 0.00 H ATOM 1037 HD12 LEU A 70 3.851 0.475 11.741 1.00 0.00 H ATOM 1038 HD13 LEU A 70 2.994 1.737 12.585 1.00 0.00 H ATOM 1039 HD21 LEU A 70 3.293 2.790 9.041 1.00 0.00 H ATOM 1040 HD22 LEU A 70 3.608 3.270 10.698 1.00 0.00 H ATOM 1041 HD23 LEU A 70 4.449 1.908 10.022 1.00 0.00 H ATOM 1042 N ILE A 71 1.082 -0.169 6.014 1.00 0.00 N ATOM 1043 CA ILE A 71 1.117 -1.134 4.869 1.00 0.00 C ATOM 1044 C ILE A 71 2.299 -2.139 4.841 1.00 0.00 C ATOM 1045 O ILE A 71 2.155 -3.345 4.931 1.00 0.00 O ATOM 1046 CB ILE A 71 1.134 -0.364 3.532 1.00 0.00 C ATOM 1047 CG1 ILE A 71 0.158 0.807 3.595 1.00 0.00 C ATOM 1048 CG2 ILE A 71 0.633 -1.362 2.491 1.00 0.00 C ATOM 1049 CD1 ILE A 71 -0.112 1.387 2.178 1.00 0.00 C ATOM 1050 H ILE A 71 0.593 0.657 5.871 1.00 0.00 H ATOM 1051 HA ILE A 71 0.189 -1.670 4.878 1.00 0.00 H ATOM 1052 HB ILE A 71 2.129 -0.021 3.285 1.00 0.00 H ATOM 1053 HG12 ILE A 71 -0.741 0.437 4.065 1.00 0.00 H ATOM 1054 HG13 ILE A 71 0.573 1.585 4.221 1.00 0.00 H ATOM 1055 HG21 ILE A 71 1.270 -2.232 2.478 1.00 0.00 H ATOM 1056 HG22 ILE A 71 -0.368 -1.650 2.764 1.00 0.00 H ATOM 1057 HG23 ILE A 71 0.640 -0.916 1.511 1.00 0.00 H ATOM 1058 HD11 ILE A 71 0.808 1.677 1.699 1.00 0.00 H ATOM 1059 HD12 ILE A 71 -0.598 0.637 1.575 1.00 0.00 H ATOM 1060 HD13 ILE A 71 -0.747 2.254 2.216 1.00 0.00 H ATOM 1061 N MET A 72 3.453 -1.549 4.703 1.00 0.00 N ATOM 1062 CA MET A 72 4.730 -2.321 4.645 1.00 0.00 C ATOM 1063 C MET A 72 5.990 -1.487 4.986 1.00 0.00 C ATOM 1064 O MET A 72 5.940 -0.285 5.128 1.00 0.00 O ATOM 1065 CB MET A 72 4.886 -2.924 3.224 1.00 0.00 C ATOM 1066 CG MET A 72 4.969 -1.868 2.091 1.00 0.00 C ATOM 1067 SD MET A 72 3.415 -1.362 1.322 1.00 0.00 S ATOM 1068 CE MET A 72 3.194 -2.811 0.262 1.00 0.00 C ATOM 1069 H MET A 72 3.457 -0.569 4.646 1.00 0.00 H ATOM 1070 HA MET A 72 4.665 -3.126 5.367 1.00 0.00 H ATOM 1071 HB2 MET A 72 5.768 -3.547 3.197 1.00 0.00 H ATOM 1072 HB3 MET A 72 4.020 -3.539 3.031 1.00 0.00 H ATOM 1073 HG2 MET A 72 5.445 -0.958 2.439 1.00 0.00 H ATOM 1074 HG3 MET A 72 5.593 -2.277 1.312 1.00 0.00 H ATOM 1075 HE1 MET A 72 4.137 -3.089 -0.185 1.00 0.00 H ATOM 1076 HE2 MET A 72 2.787 -3.634 0.834 1.00 0.00 H ATOM 1077 HE3 MET A 72 2.513 -2.554 -0.537 1.00 0.00 H ATOM 1078 N ILE A 73 7.098 -2.146 5.107 1.00 0.00 N ATOM 1079 CA ILE A 73 8.374 -1.431 5.416 1.00 0.00 C ATOM 1080 C ILE A 73 9.331 -1.462 4.200 1.00 0.00 C ATOM 1081 O ILE A 73 9.744 -2.490 3.692 1.00 0.00 O ATOM 1082 CB ILE A 73 8.994 -2.092 6.706 1.00 0.00 C ATOM 1083 CG1 ILE A 73 8.523 -3.546 6.890 1.00 0.00 C ATOM 1084 CG2 ILE A 73 8.536 -1.221 7.909 1.00 0.00 C ATOM 1085 CD1 ILE A 73 9.139 -4.170 8.157 1.00 0.00 C ATOM 1086 H ILE A 73 7.105 -3.124 5.011 1.00 0.00 H ATOM 1087 HA ILE A 73 8.157 -0.392 5.636 1.00 0.00 H ATOM 1088 HB ILE A 73 10.067 -2.108 6.605 1.00 0.00 H ATOM 1089 HG12 ILE A 73 7.444 -3.611 6.944 1.00 0.00 H ATOM 1090 HG13 ILE A 73 8.846 -4.117 6.035 1.00 0.00 H ATOM 1091 HG21 ILE A 73 8.839 -0.192 7.774 1.00 0.00 H ATOM 1092 HG22 ILE A 73 7.459 -1.233 7.997 1.00 0.00 H ATOM 1093 HG23 ILE A 73 8.962 -1.558 8.843 1.00 0.00 H ATOM 1094 HD11 ILE A 73 8.871 -3.608 9.038 1.00 0.00 H ATOM 1095 HD12 ILE A 73 8.772 -5.181 8.256 1.00 0.00 H ATOM 1096 HD13 ILE A 73 10.216 -4.196 8.068 1.00 0.00 H ATOM 1097 N PHE A 74 9.635 -0.268 3.787 1.00 0.00 N ATOM 1098 CA PHE A 74 10.535 0.056 2.627 1.00 0.00 C ATOM 1099 C PHE A 74 11.931 0.404 3.156 1.00 0.00 C ATOM 1100 O PHE A 74 12.186 0.456 4.335 1.00 0.00 O ATOM 1101 CB PHE A 74 10.017 1.308 1.882 1.00 0.00 C ATOM 1102 CG PHE A 74 8.894 1.174 0.863 1.00 0.00 C ATOM 1103 CD1 PHE A 74 8.127 0.046 0.681 1.00 0.00 C ATOM 1104 CD2 PHE A 74 8.641 2.287 0.085 1.00 0.00 C ATOM 1105 CE1 PHE A 74 7.131 0.045 -0.261 1.00 0.00 C ATOM 1106 CE2 PHE A 74 7.654 2.289 -0.842 1.00 0.00 C ATOM 1107 CZ PHE A 74 6.911 1.168 -1.004 1.00 0.00 C ATOM 1108 H PHE A 74 9.241 0.474 4.291 1.00 0.00 H ATOM 1109 HA PHE A 74 10.615 -0.790 1.964 1.00 0.00 H ATOM 1110 HB2 PHE A 74 9.644 1.978 2.641 1.00 0.00 H ATOM 1111 HB3 PHE A 74 10.829 1.813 1.381 1.00 0.00 H ATOM 1112 HD1 PHE A 74 8.289 -0.838 1.260 1.00 0.00 H ATOM 1113 HD2 PHE A 74 9.213 3.186 0.191 1.00 0.00 H ATOM 1114 HE1 PHE A 74 6.520 -0.833 -0.414 1.00 0.00 H ATOM 1115 HE2 PHE A 74 7.478 3.174 -1.442 1.00 0.00 H ATOM 1116 HZ PHE A 74 6.145 1.179 -1.724 1.00 0.00 H ATOM 1117 N GLU A 75 12.821 0.624 2.256 1.00 0.00 N ATOM 1118 CA GLU A 75 14.213 1.000 2.611 1.00 0.00 C ATOM 1119 C GLU A 75 14.613 1.718 1.294 1.00 0.00 C ATOM 1120 O GLU A 75 14.632 1.170 0.209 1.00 0.00 O ATOM 1121 CB GLU A 75 14.923 -0.370 3.021 1.00 0.00 C ATOM 1122 CG GLU A 75 16.375 0.027 3.658 1.00 0.00 C ATOM 1123 CD GLU A 75 17.086 -1.025 4.503 1.00 0.00 C ATOM 1124 OE1 GLU A 75 17.505 -2.001 3.948 1.00 0.00 O ATOM 1125 OE2 GLU A 75 17.226 -0.875 5.712 1.00 0.00 O ATOM 1126 H GLU A 75 12.572 0.529 1.309 1.00 0.00 H ATOM 1127 HA GLU A 75 14.220 1.707 3.430 1.00 0.00 H ATOM 1128 HB2 GLU A 75 14.253 -0.832 3.751 1.00 0.00 H ATOM 1129 HB3 GLU A 75 15.010 -1.031 2.165 1.00 0.00 H ATOM 1130 HG2 GLU A 75 17.034 0.190 2.811 1.00 0.00 H ATOM 1131 HG3 GLU A 75 16.321 0.939 4.224 1.00 0.00 H ATOM 1132 N VAL A 76 14.872 2.985 1.417 1.00 0.00 N ATOM 1133 CA VAL A 76 15.267 3.873 0.308 1.00 0.00 C ATOM 1134 C VAL A 76 16.576 3.486 -0.430 1.00 0.00 C ATOM 1135 O VAL A 76 17.600 4.110 -0.252 1.00 0.00 O ATOM 1136 CB VAL A 76 15.302 5.317 0.927 1.00 0.00 C ATOM 1137 CG1 VAL A 76 13.841 5.713 1.298 1.00 0.00 C ATOM 1138 CG2 VAL A 76 16.162 5.362 2.214 1.00 0.00 C ATOM 1139 H VAL A 76 14.809 3.419 2.259 1.00 0.00 H ATOM 1140 HA VAL A 76 14.441 3.830 -0.341 1.00 0.00 H ATOM 1141 HB VAL A 76 15.711 6.010 0.197 1.00 0.00 H ATOM 1142 HG11 VAL A 76 13.229 5.692 0.406 1.00 0.00 H ATOM 1143 HG12 VAL A 76 13.402 5.032 2.016 1.00 0.00 H ATOM 1144 HG13 VAL A 76 13.822 6.716 1.694 1.00 0.00 H ATOM 1145 HG21 VAL A 76 15.800 4.699 2.984 1.00 0.00 H ATOM 1146 HG22 VAL A 76 17.178 5.076 1.968 1.00 0.00 H ATOM 1147 HG23 VAL A 76 16.179 6.364 2.615 1.00 0.00 H ATOM 1148 N GLU A 77 16.444 2.440 -1.207 1.00 0.00 N ATOM 1149 CA GLU A 77 17.525 1.819 -2.051 1.00 0.00 C ATOM 1150 C GLU A 77 18.372 0.862 -1.192 1.00 0.00 C ATOM 1151 O GLU A 77 17.898 0.350 -0.201 1.00 0.00 O ATOM 1152 CB GLU A 77 18.445 2.927 -2.730 1.00 0.00 C ATOM 1153 CG GLU A 77 17.830 3.255 -4.131 1.00 0.00 C ATOM 1154 CD GLU A 77 18.846 3.713 -5.171 1.00 0.00 C ATOM 1155 OE1 GLU A 77 20.025 3.487 -4.966 1.00 0.00 O ATOM 1156 OE2 GLU A 77 18.316 4.248 -6.120 1.00 0.00 O ATOM 1157 H GLU A 77 15.563 2.014 -1.233 1.00 0.00 H ATOM 1158 HA GLU A 77 17.060 1.219 -2.814 1.00 0.00 H ATOM 1159 HB2 GLU A 77 18.509 3.848 -2.174 1.00 0.00 H ATOM 1160 HB3 GLU A 77 19.457 2.595 -2.869 1.00 0.00 H ATOM 1161 HG2 GLU A 77 17.340 2.410 -4.576 1.00 0.00 H ATOM 1162 HG3 GLU A 77 17.113 4.054 -4.034 1.00 0.00 H ATOM 1163 N GLY A 78 19.596 0.616 -1.567 1.00 0.00 N ATOM 1164 CA GLY A 78 20.474 -0.317 -0.764 1.00 0.00 C ATOM 1165 C GLY A 78 21.192 -1.220 -1.742 1.00 0.00 C ATOM 1166 O GLY A 78 21.096 -2.421 -1.708 1.00 0.00 O ATOM 1167 H GLY A 78 19.922 1.046 -2.388 1.00 0.00 H ATOM 1168 HA2 GLY A 78 21.191 0.252 -0.194 1.00 0.00 H ATOM 1169 HA3 GLY A 78 19.870 -0.928 -0.098 1.00 0.00 H ATOM 1170 N ALA A 79 21.889 -0.517 -2.576 1.00 0.00 N ATOM 1171 CA ALA A 79 22.731 -1.050 -3.697 1.00 0.00 C ATOM 1172 C ALA A 79 22.797 -2.583 -4.069 1.00 0.00 C ATOM 1173 O ALA A 79 23.878 -3.126 -4.178 1.00 0.00 O ATOM 1174 CB ALA A 79 24.134 -0.457 -3.385 1.00 0.00 C ATOM 1175 H ALA A 79 21.852 0.450 -2.447 1.00 0.00 H ATOM 1176 HA ALA A 79 22.336 -0.562 -4.577 1.00 0.00 H ATOM 1177 HB1 ALA A 79 24.440 -0.732 -2.384 1.00 0.00 H ATOM 1178 HB2 ALA A 79 24.855 -0.873 -4.078 1.00 0.00 H ATOM 1179 HB3 ALA A 79 24.125 0.617 -3.488 1.00 0.00 H ATOM 1180 N ALA A 80 21.614 -3.112 -4.217 1.00 0.00 N ATOM 1181 CA ALA A 80 21.290 -4.524 -4.580 1.00 0.00 C ATOM 1182 C ALA A 80 22.242 -5.326 -5.519 1.00 0.00 C ATOM 1183 O ALA A 80 22.400 -4.869 -6.647 1.00 0.00 O ATOM 1184 CB ALA A 80 19.871 -4.470 -5.171 1.00 0.00 C ATOM 1185 OXT ALA A 80 22.738 -6.342 -5.056 1.00 0.00 O ATOM 1186 H ALA A 80 20.861 -2.531 -4.066 1.00 0.00 H ATOM 1187 HA ALA A 80 21.246 -5.070 -3.652 1.00 0.00 H ATOM 1188 HB1 ALA A 80 19.170 -4.092 -4.453 1.00 0.00 H ATOM 1189 HB2 ALA A 80 19.907 -3.847 -6.049 1.00 0.00 H ATOM 1190 HB3 ALA A 80 19.605 -5.470 -5.470 1.00 0.00 H TER 1191 ALA A 80