HEADER ACYLTRANSFERASE 25-SEP-96 1IYV TITLE LIPOYL DOMAIN OF PYRUVATE DEHYDROGENASE COMPLEX, NMR, 29 TITLE 2 STRUCTURES COMPND MOL_ID: 1; COMPND 2 MOLECULE: DIHYDROLIPOAMIDE ACETYLTRANSFERASE COMPONENT OF COMPND 3 PYRUVATE DEHYDROGENASE COMPLEX; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: LIPOYL DOMAIN, RESIDUES 1 - 79; COMPND 6 SYNONYM: E2P; COMPND 7 EC: 2.3.1.12 SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: AZOTOBACTER VINELANDII KEYWDS GLYCOLYSIS, TRANSFERASE, ACYLTRANSFERASE, LIPOYL EXPDTA NMR, 29 STRUCTURES AUTHOR A.BERG,J.VERVOORT,A.DE KOK REVDAT 1 12-MAR-97 1IYV 0 JRNL AUTH A.BERG,J.VERVOORT,A.DE KOK JRNL TITL THREE-DIMENSIONAL STRUCTURE IN SOLUTION OF THE JRNL TITL 2 N-TERMINAL LIPOYL DOMAIN OF THE PYRUVATE JRNL TITL 3 DEHYDROGENASE COMPLEX FROM AZOTOBACTER VINELANDII. JRNL REF EUR.J.BIOCHEM. V. 244 352 1997 JRNL REFN ASTM EJBCAI IX ISSN 0014-2956 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH A.BERG,J.VERVOORT,A.DE KOK REMARK 1 TITL SOLUTION STRUCTURE OF THE LIPOYL DOMAIN OF THE REMARK 1 TITL 2 2-OXOGLUTARATE DEHYDROGENASE COMPLEX FROM REMARK 1 TITL 3 AZOTOBACTER VINELANDII REMARK 1 REF J.MOL.BIOL. V. 261 432 1996 REMARK 1 REFN ASTM JMOBAK UK ISSN 0022-2836 REMARK 1 REFERENCE 2 REMARK 1 AUTH A.BERG,O.SMITS,A.DE KOK,J.VERVOORT REMARK 1 TITL SEQUENTIAL 1H AND 15N NUCLEAR MAGNETIC RESONANCE REMARK 1 TITL 2 ASSIGNMENTS AND SECONDARY STRUCTURE OF THE LIPOYL REMARK 1 TITL 3 DOMAIN OF THE 2-OXOGLUTARATE DEHYDROGENASE COMPLEX REMARK 1 TITL 4 FROM AZOTOBACTER VINELANDII. EVIDENCE FOR HIGH REMARK 1 TITL 5 STRUCTURAL SIMILARITY WITH THE LIPOYL DOMAIN OF REMARK 1 TITL 6 THE PYRUVATE DEHYDROGENASE COMPLEX REMARK 1 REF EUR.J.BIOCHEM. V. 234 148 1995 REMARK 1 REFN ASTM EJBCAI IX ISSN 0014-2956 REMARK 1 REFERENCE 3 REMARK 1 AUTH A.BERG,A.DE KOK,J.VERVOORT REMARK 1 TITL SEQUENTIAL 1H AND 15N NUCLEAR MAGNETIC RESONANCE REMARK 1 TITL 2 ASSIGNMENTS AND SECONDARY STRUCTURE OF THE REMARK 1 TITL 3 N-TERMINAL LIPOYL DOMAIN OF THE DIHYDROLIPOYL REMARK 1 TITL 4 TRANSACETYLASE COMPONENT OF THE PYRUVATE REMARK 1 TITL 5 DEHYDROGENASE COMPLEX FROM AZOTOBACTER VINELANDII REMARK 1 REF EUR.J.BIOCHEM. V. 221 87 1994 REMARK 1 REFN ASTM EJBCAI IX ISSN 0014-2956 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1IYV 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 3.100 (2007-03-17) REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 29 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: 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 5 GLU A 29 -43.69 82.99 REMARK 500 7 GLU A 29 -43.67 83.05 REMARK 500 9 ALA A 75 120.72 61.13 REMARK 500 20 GLU A 29 -43.61 83.07 REMARK 500 28 ALA A 75 137.29 75.25 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: LIP REMARK 800 SITE_DESCRIPTION: LYS 39 IS THE LIPOYLATION SITE WHERE LIPOIC REMARK 800 ACID (6,8 THIOCTIC ACID) IS COVALENTLY REMARK 800 ATTACHED VIA AN AMIDE LINKAGE TO THE LYSINE REMARK 800 SIDE CHAIN. REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1IYU RELATED DB: PDB DBREF 1IYV A 1 78 UNP P10802 ODP2_AZOVI 1 78 SEQRES 1 A 79 SER GLU ILE ILE ARG VAL PRO ASP ILE GLY GLY ASP GLY SEQRES 2 A 79 GLU VAL ILE GLU LEU LEU VAL LYS THR GLY ASP LEU ILE SEQRES 3 A 79 GLU VAL GLU GLN GLY LEU VAL VAL LEU GLU SER ALA LYS SEQRES 4 A 79 ALA SER MET GLU VAL PRO SER PRO LYS ALA GLY VAL VAL SEQRES 5 A 79 LYS SER VAL SER VAL LYS LEU GLY ASP LYS LEU LYS GLU SEQRES 6 A 79 GLY ASP ALA ILE ILE GLU LEU GLU PRO ALA ALA GLY ALA SEQRES 7 A 79 ARG SHEET 1 A 2 ASP A 12 GLU A 14 0 SHEET 2 A 2 LYS A 62 LYS A 64 -1 N LEU A 63 O GLY A 13 SHEET 1 B 3 GLU A 2 ARG A 5 0 SHEET 2 B 3 ALA A 68 GLU A 73 -1 N LEU A 72 O GLU A 2 SHEET 3 B 3 VAL A 51 VAL A 55 -1 N SER A 54 O GLU A 71 SITE 1 LIP 1 LYS A 39 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 SER A 1 -10.871 -9.942 -7.577 1.00 0.00 N ATOM 2 CA SER A 1 -10.014 -8.738 -7.379 1.00 0.00 C ATOM 3 C SER A 1 -8.703 -8.912 -8.149 1.00 0.00 C ATOM 4 O SER A 1 -8.381 -9.990 -8.608 1.00 0.00 O ATOM 5 CB SER A 1 -9.712 -8.566 -5.890 1.00 0.00 C ATOM 6 OG SER A 1 -8.747 -9.531 -5.493 1.00 0.00 O ATOM 7 HA SER A 1 -10.534 -7.864 -7.745 1.00 0.00 H ATOM 8 HB2 SER A 1 -9.320 -7.579 -5.712 1.00 0.00 H ATOM 9 HB3 SER A 1 -10.624 -8.698 -5.321 1.00 0.00 H ATOM 10 HG SER A 1 -9.215 -10.301 -5.163 1.00 0.00 H ATOM 11 H1 SER A 1 -10.747 -10.301 -8.545 1.00 0.00 H ATOM 12 H2 SER A 1 -10.594 -10.680 -6.899 1.00 0.00 H ATOM 13 H3 SER A 1 -11.868 -9.687 -7.425 1.00 0.00 H ATOM 14 N GLU A 2 -7.946 -7.860 -8.294 1.00 0.00 N ATOM 15 CA GLU A 2 -6.657 -7.966 -9.034 1.00 0.00 C ATOM 16 C GLU A 2 -5.578 -7.173 -8.295 1.00 0.00 C ATOM 17 O GLU A 2 -5.828 -6.107 -7.767 1.00 0.00 O ATOM 18 CB GLU A 2 -6.830 -7.399 -10.445 1.00 0.00 C ATOM 19 CG GLU A 2 -7.620 -8.390 -11.300 1.00 0.00 C ATOM 20 CD GLU A 2 -8.714 -7.644 -12.068 1.00 0.00 C ATOM 21 OE1 GLU A 2 -8.649 -6.428 -12.120 1.00 0.00 O ATOM 22 OE2 GLU A 2 -9.598 -8.303 -12.591 1.00 0.00 O ATOM 23 H GLU A 2 -8.224 -7.000 -7.916 1.00 0.00 H ATOM 24 HA GLU A 2 -6.362 -9.003 -9.097 1.00 0.00 H ATOM 25 HB2 GLU A 2 -7.365 -6.460 -10.392 1.00 0.00 H ATOM 26 HB3 GLU A 2 -5.860 -7.237 -10.889 1.00 0.00 H ATOM 27 HG2 GLU A 2 -6.954 -8.873 -12.000 1.00 0.00 H ATOM 28 HG3 GLU A 2 -8.075 -9.134 -10.663 1.00 0.00 H ATOM 29 N ILE A 3 -4.377 -7.685 -8.251 1.00 0.00 N ATOM 30 CA ILE A 3 -3.284 -6.959 -7.546 1.00 0.00 C ATOM 31 C ILE A 3 -2.582 -6.017 -8.525 1.00 0.00 C ATOM 32 O ILE A 3 -2.536 -6.262 -9.714 1.00 0.00 O ATOM 33 CB ILE A 3 -2.273 -7.969 -6.997 1.00 0.00 C ATOM 34 CG1 ILE A 3 -1.290 -7.252 -6.070 1.00 0.00 C ATOM 35 CG2 ILE A 3 -1.507 -8.606 -8.157 1.00 0.00 C ATOM 36 CD1 ILE A 3 -0.916 -8.175 -4.909 1.00 0.00 C ATOM 37 H ILE A 3 -4.196 -8.546 -8.682 1.00 0.00 H ATOM 38 HA ILE A 3 -3.699 -6.387 -6.730 1.00 0.00 H ATOM 39 HB ILE A 3 -2.796 -8.738 -6.446 1.00 0.00 H ATOM 40 HG12 ILE A 3 -0.399 -6.990 -6.624 1.00 0.00 H ATOM 41 HG13 ILE A 3 -1.748 -6.355 -5.682 1.00 0.00 H ATOM 42 HG21 ILE A 3 -1.954 -8.304 -9.093 1.00 0.00 H ATOM 43 HG22 ILE A 3 -0.477 -8.283 -8.129 1.00 0.00 H ATOM 44 HG23 ILE A 3 -1.549 -9.682 -8.069 1.00 0.00 H ATOM 45 HD11 ILE A 3 -1.661 -8.950 -4.812 1.00 0.00 H ATOM 46 HD12 ILE A 3 0.048 -8.622 -5.100 1.00 0.00 H ATOM 47 HD13 ILE A 3 -0.872 -7.602 -3.994 1.00 0.00 H ATOM 48 N ILE A 4 -2.033 -4.938 -8.035 1.00 0.00 N ATOM 49 CA ILE A 4 -1.335 -3.981 -8.938 1.00 0.00 C ATOM 50 C ILE A 4 0.152 -3.934 -8.579 1.00 0.00 C ATOM 51 O ILE A 4 0.537 -3.394 -7.562 1.00 0.00 O ATOM 52 CB ILE A 4 -1.943 -2.588 -8.773 1.00 0.00 C ATOM 53 CG1 ILE A 4 -3.465 -2.676 -8.920 1.00 0.00 C ATOM 54 CG2 ILE A 4 -1.382 -1.654 -9.847 1.00 0.00 C ATOM 55 CD1 ILE A 4 -3.816 -3.058 -10.359 1.00 0.00 C ATOM 56 H ILE A 4 -2.080 -4.758 -7.073 1.00 0.00 H ATOM 57 HA ILE A 4 -1.448 -4.305 -9.963 1.00 0.00 H ATOM 58 HB ILE A 4 -1.696 -2.201 -7.794 1.00 0.00 H ATOM 59 HG12 ILE A 4 -3.849 -3.425 -8.244 1.00 0.00 H ATOM 60 HG13 ILE A 4 -3.905 -1.719 -8.686 1.00 0.00 H ATOM 61 HG21 ILE A 4 -0.573 -2.147 -10.365 1.00 0.00 H ATOM 62 HG22 ILE A 4 -2.161 -1.404 -10.550 1.00 0.00 H ATOM 63 HG23 ILE A 4 -1.013 -0.751 -9.381 1.00 0.00 H ATOM 64 HD11 ILE A 4 -3.103 -3.783 -10.724 1.00 0.00 H ATOM 65 HD12 ILE A 4 -4.808 -3.485 -10.386 1.00 0.00 H ATOM 66 HD13 ILE A 4 -3.787 -2.178 -10.984 1.00 0.00 H ATOM 67 N ARG A 5 0.989 -4.495 -9.407 1.00 0.00 N ATOM 68 CA ARG A 5 2.450 -4.482 -9.112 1.00 0.00 C ATOM 69 C ARG A 5 3.093 -3.260 -9.770 1.00 0.00 C ATOM 70 O ARG A 5 2.488 -2.591 -10.585 1.00 0.00 O ATOM 71 CB ARG A 5 3.094 -5.756 -9.665 1.00 0.00 C ATOM 72 CG ARG A 5 2.902 -5.809 -11.181 1.00 0.00 C ATOM 73 CD ARG A 5 4.261 -5.968 -11.864 1.00 0.00 C ATOM 74 NE ARG A 5 4.164 -7.004 -12.930 1.00 0.00 N ATOM 75 CZ ARG A 5 5.242 -7.604 -13.357 1.00 0.00 C ATOM 76 NH1 ARG A 5 5.909 -8.394 -12.560 1.00 0.00 N ATOM 77 NH2 ARG A 5 5.651 -7.414 -14.582 1.00 0.00 N ATOM 78 H ARG A 5 0.659 -4.926 -10.223 1.00 0.00 H ATOM 79 HA ARG A 5 2.601 -4.437 -8.044 1.00 0.00 H ATOM 80 HB2 ARG A 5 4.149 -5.754 -9.434 1.00 0.00 H ATOM 81 HB3 ARG A 5 2.628 -6.619 -9.215 1.00 0.00 H ATOM 82 HG2 ARG A 5 2.271 -6.648 -11.435 1.00 0.00 H ATOM 83 HG3 ARG A 5 2.437 -4.894 -11.518 1.00 0.00 H ATOM 84 HD2 ARG A 5 4.556 -5.027 -12.303 1.00 0.00 H ATOM 85 HD3 ARG A 5 4.997 -6.270 -11.133 1.00 0.00 H ATOM 86 HE ARG A 5 3.291 -7.236 -13.309 1.00 0.00 H ATOM 87 HH11 ARG A 5 5.595 -8.539 -11.622 1.00 0.00 H ATOM 88 HH12 ARG A 5 6.735 -8.853 -12.888 1.00 0.00 H ATOM 89 HH21 ARG A 5 5.140 -6.810 -15.192 1.00 0.00 H ATOM 90 HH22 ARG A 5 6.476 -7.874 -14.909 1.00 0.00 H ATOM 91 N VAL A 6 4.315 -2.961 -9.422 1.00 0.00 N ATOM 92 CA VAL A 6 4.995 -1.782 -10.029 1.00 0.00 C ATOM 93 C VAL A 6 4.736 -1.766 -11.540 1.00 0.00 C ATOM 94 O VAL A 6 4.708 -2.804 -12.171 1.00 0.00 O ATOM 95 CB VAL A 6 6.501 -1.877 -9.770 1.00 0.00 C ATOM 96 CG1 VAL A 6 7.224 -0.769 -10.537 1.00 0.00 C ATOM 97 CG2 VAL A 6 6.769 -1.716 -8.272 1.00 0.00 C ATOM 98 H VAL A 6 4.785 -3.513 -8.763 1.00 0.00 H ATOM 99 HA VAL A 6 4.609 -0.878 -9.583 1.00 0.00 H ATOM 100 HB VAL A 6 6.862 -2.839 -10.102 1.00 0.00 H ATOM 101 HG11 VAL A 6 6.819 -0.699 -11.536 1.00 0.00 H ATOM 102 HG12 VAL A 6 7.087 0.172 -10.026 1.00 0.00 H ATOM 103 HG13 VAL A 6 8.277 -0.998 -10.591 1.00 0.00 H ATOM 104 HG21 VAL A 6 5.858 -1.422 -7.771 1.00 0.00 H ATOM 105 HG22 VAL A 6 7.116 -2.655 -7.866 1.00 0.00 H ATOM 106 HG23 VAL A 6 7.524 -0.958 -8.121 1.00 0.00 H ATOM 107 N PRO A 7 4.553 -0.584 -12.075 1.00 0.00 N ATOM 108 CA PRO A 7 4.292 -0.399 -13.514 1.00 0.00 C ATOM 109 C PRO A 7 5.594 -0.515 -14.311 1.00 0.00 C ATOM 110 O PRO A 7 6.622 -0.897 -13.788 1.00 0.00 O ATOM 111 CB PRO A 7 3.726 1.022 -13.595 1.00 0.00 C ATOM 112 CG PRO A 7 4.215 1.760 -12.327 1.00 0.00 C ATOM 113 CD PRO A 7 4.587 0.673 -11.300 1.00 0.00 C ATOM 114 HA PRO A 7 3.561 -1.108 -13.866 1.00 0.00 H ATOM 115 HB2 PRO A 7 4.097 1.517 -14.483 1.00 0.00 H ATOM 116 HB3 PRO A 7 2.648 0.993 -13.607 1.00 0.00 H ATOM 117 HG2 PRO A 7 5.081 2.364 -12.562 1.00 0.00 H ATOM 118 HG3 PRO A 7 3.425 2.380 -11.931 1.00 0.00 H ATOM 119 HD2 PRO A 7 5.578 0.852 -10.905 1.00 0.00 H ATOM 120 HD3 PRO A 7 3.860 0.639 -10.504 1.00 0.00 H ATOM 121 N ASP A 8 5.557 -0.190 -15.575 1.00 0.00 N ATOM 122 CA ASP A 8 6.792 -0.283 -16.404 1.00 0.00 C ATOM 123 C ASP A 8 7.610 1.000 -16.245 1.00 0.00 C ATOM 124 O ASP A 8 7.305 2.019 -16.831 1.00 0.00 O ATOM 125 CB ASP A 8 6.406 -0.463 -17.873 1.00 0.00 C ATOM 126 CG ASP A 8 7.658 -0.777 -18.696 1.00 0.00 C ATOM 127 OD1 ASP A 8 8.250 -1.817 -18.461 1.00 0.00 O ATOM 128 OD2 ASP A 8 8.002 0.028 -19.545 1.00 0.00 O ATOM 129 H ASP A 8 4.718 0.115 -15.978 1.00 0.00 H ATOM 130 HA ASP A 8 7.381 -1.129 -16.080 1.00 0.00 H ATOM 131 HB2 ASP A 8 5.702 -1.278 -17.964 1.00 0.00 H ATOM 132 HB3 ASP A 8 5.955 0.446 -18.242 1.00 0.00 H ATOM 133 N ILE A 9 8.650 0.958 -15.457 1.00 0.00 N ATOM 134 CA ILE A 9 9.488 2.177 -15.260 1.00 0.00 C ATOM 135 C ILE A 9 10.799 2.018 -16.032 1.00 0.00 C ATOM 136 O ILE A 9 11.099 2.781 -16.929 1.00 0.00 O ATOM 137 CB ILE A 9 9.800 2.382 -13.769 1.00 0.00 C ATOM 138 CG1 ILE A 9 9.175 1.259 -12.932 1.00 0.00 C ATOM 139 CG2 ILE A 9 9.230 3.725 -13.312 1.00 0.00 C ATOM 140 CD1 ILE A 9 9.457 1.511 -11.449 1.00 0.00 C ATOM 141 H ILE A 9 8.880 0.126 -14.993 1.00 0.00 H ATOM 142 HA ILE A 9 8.956 3.039 -15.636 1.00 0.00 H ATOM 143 HB ILE A 9 10.872 2.383 -13.627 1.00 0.00 H ATOM 144 HG12 ILE A 9 8.108 1.237 -13.097 1.00 0.00 H ATOM 145 HG13 ILE A 9 9.604 0.312 -13.222 1.00 0.00 H ATOM 146 HG21 ILE A 9 9.049 4.351 -14.173 1.00 0.00 H ATOM 147 HG22 ILE A 9 8.302 3.562 -12.785 1.00 0.00 H ATOM 148 HG23 ILE A 9 9.937 4.211 -12.656 1.00 0.00 H ATOM 149 HD11 ILE A 9 9.484 2.575 -11.264 1.00 0.00 H ATOM 150 HD12 ILE A 9 8.677 1.062 -10.852 1.00 0.00 H ATOM 151 HD13 ILE A 9 10.409 1.075 -11.184 1.00 0.00 H ATOM 152 N GLY A 10 11.584 1.032 -15.692 1.00 0.00 N ATOM 153 CA GLY A 10 12.874 0.826 -16.407 1.00 0.00 C ATOM 154 C GLY A 10 14.032 0.932 -15.413 1.00 0.00 C ATOM 155 O GLY A 10 15.183 1.022 -15.792 1.00 0.00 O ATOM 156 H GLY A 10 11.324 0.427 -14.966 1.00 0.00 H ATOM 157 HA2 GLY A 10 12.879 -0.153 -16.865 1.00 0.00 H ATOM 158 HA3 GLY A 10 12.989 1.581 -17.169 1.00 0.00 H ATOM 159 N GLY A 11 13.737 0.921 -14.141 1.00 0.00 N ATOM 160 CA GLY A 11 14.821 1.021 -13.124 1.00 0.00 C ATOM 161 C GLY A 11 14.289 0.569 -11.763 1.00 0.00 C ATOM 162 O GLY A 11 13.550 -0.390 -11.662 1.00 0.00 O ATOM 163 H GLY A 11 12.803 0.848 -13.856 1.00 0.00 H ATOM 164 HA2 GLY A 11 15.648 0.389 -13.417 1.00 0.00 H ATOM 165 HA3 GLY A 11 15.157 2.044 -13.054 1.00 0.00 H ATOM 166 N ASP A 12 14.659 1.252 -10.714 1.00 0.00 N ATOM 167 CA ASP A 12 14.174 0.861 -9.361 1.00 0.00 C ATOM 168 C ASP A 12 13.210 1.927 -8.837 1.00 0.00 C ATOM 169 O ASP A 12 13.450 3.111 -8.965 1.00 0.00 O ATOM 170 CB ASP A 12 15.364 0.737 -8.408 1.00 0.00 C ATOM 171 CG ASP A 12 14.857 0.494 -6.985 1.00 0.00 C ATOM 172 OD1 ASP A 12 13.692 0.163 -6.842 1.00 0.00 O ATOM 173 OD2 ASP A 12 15.642 0.644 -6.064 1.00 0.00 O ATOM 174 H ASP A 12 15.256 2.023 -10.817 1.00 0.00 H ATOM 175 HA ASP A 12 13.662 -0.088 -9.423 1.00 0.00 H ATOM 176 HB2 ASP A 12 15.986 -0.091 -8.716 1.00 0.00 H ATOM 177 HB3 ASP A 12 15.941 1.649 -8.432 1.00 0.00 H ATOM 178 N GLY A 13 12.119 1.516 -8.248 1.00 0.00 N ATOM 179 CA GLY A 13 11.142 2.507 -7.716 1.00 0.00 C ATOM 180 C GLY A 13 11.242 2.556 -6.191 1.00 0.00 C ATOM 181 O GLY A 13 11.388 1.545 -5.535 1.00 0.00 O ATOM 182 H GLY A 13 11.944 0.557 -8.156 1.00 0.00 H ATOM 183 HA2 GLY A 13 11.360 3.483 -8.126 1.00 0.00 H ATOM 184 HA3 GLY A 13 10.142 2.214 -7.999 1.00 0.00 H ATOM 185 N GLU A 14 11.164 3.728 -5.619 1.00 0.00 N ATOM 186 CA GLU A 14 11.256 3.841 -4.137 1.00 0.00 C ATOM 187 C GLU A 14 9.999 4.528 -3.600 1.00 0.00 C ATOM 188 O GLU A 14 9.548 5.523 -4.132 1.00 0.00 O ATOM 189 CB GLU A 14 12.488 4.667 -3.763 1.00 0.00 C ATOM 190 CG GLU A 14 13.706 4.141 -4.527 1.00 0.00 C ATOM 191 CD GLU A 14 14.705 5.281 -4.741 1.00 0.00 C ATOM 192 OE1 GLU A 14 14.310 6.291 -5.299 1.00 0.00 O ATOM 193 OE2 GLU A 14 15.847 5.123 -4.344 1.00 0.00 O ATOM 194 H GLU A 14 11.046 4.532 -6.166 1.00 0.00 H ATOM 195 HA GLU A 14 11.339 2.855 -3.705 1.00 0.00 H ATOM 196 HB2 GLU A 14 12.320 5.702 -4.022 1.00 0.00 H ATOM 197 HB3 GLU A 14 12.668 4.585 -2.702 1.00 0.00 H ATOM 198 HG2 GLU A 14 14.175 3.352 -3.956 1.00 0.00 H ATOM 199 HG3 GLU A 14 13.391 3.756 -5.484 1.00 0.00 H ATOM 200 N VAL A 15 9.431 4.007 -2.547 1.00 0.00 N ATOM 201 CA VAL A 15 8.203 4.632 -1.977 1.00 0.00 C ATOM 202 C VAL A 15 8.599 5.815 -1.092 1.00 0.00 C ATOM 203 O VAL A 15 9.458 5.707 -0.240 1.00 0.00 O ATOM 204 CB VAL A 15 7.448 3.599 -1.140 1.00 0.00 C ATOM 205 CG1 VAL A 15 6.062 4.144 -0.786 1.00 0.00 C ATOM 206 CG2 VAL A 15 7.296 2.306 -1.942 1.00 0.00 C ATOM 207 H VAL A 15 9.810 3.204 -2.132 1.00 0.00 H ATOM 208 HA VAL A 15 7.570 4.978 -2.779 1.00 0.00 H ATOM 209 HB VAL A 15 7.998 3.400 -0.231 1.00 0.00 H ATOM 210 HG11 VAL A 15 6.154 5.160 -0.431 1.00 0.00 H ATOM 211 HG12 VAL A 15 5.433 4.124 -1.664 1.00 0.00 H ATOM 212 HG13 VAL A 15 5.621 3.531 -0.013 1.00 0.00 H ATOM 213 HG21 VAL A 15 7.905 2.361 -2.832 1.00 0.00 H ATOM 214 HG22 VAL A 15 7.614 1.468 -1.339 1.00 0.00 H ATOM 215 HG23 VAL A 15 6.261 2.174 -2.223 1.00 0.00 H ATOM 216 N ILE A 16 7.978 6.947 -1.286 1.00 0.00 N ATOM 217 CA ILE A 16 8.320 8.136 -0.456 1.00 0.00 C ATOM 218 C ILE A 16 7.321 8.257 0.698 1.00 0.00 C ATOM 219 O ILE A 16 7.689 8.529 1.823 1.00 0.00 O ATOM 220 CB ILE A 16 8.255 9.397 -1.319 1.00 0.00 C ATOM 221 CG1 ILE A 16 9.068 9.179 -2.598 1.00 0.00 C ATOM 222 CG2 ILE A 16 8.836 10.579 -0.542 1.00 0.00 C ATOM 223 CD1 ILE A 16 10.536 8.944 -2.237 1.00 0.00 C ATOM 224 H ILE A 16 7.287 7.015 -1.978 1.00 0.00 H ATOM 225 HA ILE A 16 9.317 8.023 -0.058 1.00 0.00 H ATOM 226 HB ILE A 16 7.227 9.606 -1.576 1.00 0.00 H ATOM 227 HG12 ILE A 16 8.684 8.319 -3.126 1.00 0.00 H ATOM 228 HG13 ILE A 16 8.989 10.053 -3.227 1.00 0.00 H ATOM 229 HG21 ILE A 16 8.487 10.545 0.479 1.00 0.00 H ATOM 230 HG22 ILE A 16 9.914 10.525 -0.557 1.00 0.00 H ATOM 231 HG23 ILE A 16 8.517 11.503 -1.001 1.00 0.00 H ATOM 232 HD11 ILE A 16 10.597 8.250 -1.412 1.00 0.00 H ATOM 233 HD12 ILE A 16 11.056 8.536 -3.090 1.00 0.00 H ATOM 234 HD13 ILE A 16 10.991 9.882 -1.953 1.00 0.00 H ATOM 235 N GLU A 17 6.060 8.057 0.427 1.00 0.00 N ATOM 236 CA GLU A 17 5.041 8.161 1.508 1.00 0.00 C ATOM 237 C GLU A 17 3.749 7.473 1.060 1.00 0.00 C ATOM 238 O GLU A 17 3.447 7.405 -0.115 1.00 0.00 O ATOM 239 CB GLU A 17 4.758 9.635 1.802 1.00 0.00 C ATOM 240 CG GLU A 17 4.015 9.757 3.134 1.00 0.00 C ATOM 241 CD GLU A 17 4.657 10.860 3.978 1.00 0.00 C ATOM 242 OE1 GLU A 17 5.872 10.958 3.963 1.00 0.00 O ATOM 243 OE2 GLU A 17 3.922 11.587 4.625 1.00 0.00 O ATOM 244 H GLU A 17 5.784 7.837 -0.488 1.00 0.00 H ATOM 245 HA GLU A 17 5.413 7.680 2.401 1.00 0.00 H ATOM 246 HB2 GLU A 17 5.691 10.176 1.859 1.00 0.00 H ATOM 247 HB3 GLU A 17 4.148 10.050 1.014 1.00 0.00 H ATOM 248 HG2 GLU A 17 2.979 10.002 2.948 1.00 0.00 H ATOM 249 HG3 GLU A 17 4.073 8.820 3.667 1.00 0.00 H ATOM 250 N LEU A 18 2.985 6.963 1.986 1.00 0.00 N ATOM 251 CA LEU A 18 1.715 6.280 1.612 1.00 0.00 C ATOM 252 C LEU A 18 0.526 7.122 2.081 1.00 0.00 C ATOM 253 O LEU A 18 0.266 7.243 3.261 1.00 0.00 O ATOM 254 CB LEU A 18 1.660 4.903 2.279 1.00 0.00 C ATOM 255 CG LEU A 18 0.882 3.934 1.386 1.00 0.00 C ATOM 256 CD1 LEU A 18 1.826 3.337 0.340 1.00 0.00 C ATOM 257 CD2 LEU A 18 0.296 2.811 2.244 1.00 0.00 C ATOM 258 H LEU A 18 3.247 7.028 2.928 1.00 0.00 H ATOM 259 HA LEU A 18 1.672 6.162 0.540 1.00 0.00 H ATOM 260 HB2 LEU A 18 2.664 4.534 2.425 1.00 0.00 H ATOM 261 HB3 LEU A 18 1.163 4.986 3.234 1.00 0.00 H ATOM 262 HG LEU A 18 0.084 4.465 0.889 1.00 0.00 H ATOM 263 HD11 LEU A 18 2.518 4.094 0.004 1.00 0.00 H ATOM 264 HD12 LEU A 18 2.375 2.515 0.778 1.00 0.00 H ATOM 265 HD13 LEU A 18 1.250 2.977 -0.499 1.00 0.00 H ATOM 266 HD21 LEU A 18 0.639 2.921 3.263 1.00 0.00 H ATOM 267 HD22 LEU A 18 -0.782 2.864 2.219 1.00 0.00 H ATOM 268 HD23 LEU A 18 0.619 1.856 1.857 1.00 0.00 H ATOM 269 N LEU A 19 -0.197 7.706 1.164 1.00 0.00 N ATOM 270 CA LEU A 19 -1.367 8.540 1.559 1.00 0.00 C ATOM 271 C LEU A 19 -2.656 7.745 1.338 1.00 0.00 C ATOM 272 O LEU A 19 -3.595 8.223 0.732 1.00 0.00 O ATOM 273 CB LEU A 19 -1.399 9.811 0.706 1.00 0.00 C ATOM 274 CG LEU A 19 -1.702 9.442 -0.747 1.00 0.00 C ATOM 275 CD1 LEU A 19 -2.953 10.187 -1.213 1.00 0.00 C ATOM 276 CD2 LEU A 19 -0.516 9.838 -1.630 1.00 0.00 C ATOM 277 H LEU A 19 0.030 7.596 0.218 1.00 0.00 H ATOM 278 HA LEU A 19 -1.283 8.808 2.601 1.00 0.00 H ATOM 279 HB2 LEU A 19 -2.166 10.474 1.078 1.00 0.00 H ATOM 280 HB3 LEU A 19 -0.439 10.303 0.758 1.00 0.00 H ATOM 281 HG LEU A 19 -1.869 8.377 -0.822 1.00 0.00 H ATOM 282 HD11 LEU A 19 -2.832 11.245 -1.027 1.00 0.00 H ATOM 283 HD12 LEU A 19 -3.099 10.022 -2.271 1.00 0.00 H ATOM 284 HD13 LEU A 19 -3.812 9.823 -0.670 1.00 0.00 H ATOM 285 HD21 LEU A 19 0.236 10.324 -1.025 1.00 0.00 H ATOM 286 HD22 LEU A 19 -0.095 8.954 -2.086 1.00 0.00 H ATOM 287 HD23 LEU A 19 -0.851 10.516 -2.401 1.00 0.00 H ATOM 288 N VAL A 20 -2.710 6.537 1.826 1.00 0.00 N ATOM 289 CA VAL A 20 -3.939 5.713 1.644 1.00 0.00 C ATOM 290 C VAL A 20 -4.132 4.810 2.864 1.00 0.00 C ATOM 291 O VAL A 20 -3.200 4.516 3.585 1.00 0.00 O ATOM 292 CB VAL A 20 -3.793 4.851 0.389 1.00 0.00 C ATOM 293 CG1 VAL A 20 -4.198 5.665 -0.840 1.00 0.00 C ATOM 294 CG2 VAL A 20 -2.336 4.403 0.245 1.00 0.00 C ATOM 295 H VAL A 20 -1.942 6.170 2.312 1.00 0.00 H ATOM 296 HA VAL A 20 -4.795 6.363 1.538 1.00 0.00 H ATOM 297 HB VAL A 20 -4.433 3.984 0.472 1.00 0.00 H ATOM 298 HG11 VAL A 20 -4.803 6.505 -0.533 1.00 0.00 H ATOM 299 HG12 VAL A 20 -3.312 6.026 -1.342 1.00 0.00 H ATOM 300 HG13 VAL A 20 -4.765 5.042 -1.514 1.00 0.00 H ATOM 301 HG21 VAL A 20 -2.025 3.898 1.147 1.00 0.00 H ATOM 302 HG22 VAL A 20 -2.249 3.729 -0.593 1.00 0.00 H ATOM 303 HG23 VAL A 20 -1.710 5.266 0.081 1.00 0.00 H ATOM 304 N LYS A 21 -5.336 4.367 3.101 1.00 0.00 N ATOM 305 CA LYS A 21 -5.589 3.484 4.274 1.00 0.00 C ATOM 306 C LYS A 21 -6.205 2.167 3.799 1.00 0.00 C ATOM 307 O LYS A 21 -6.525 2.004 2.638 1.00 0.00 O ATOM 308 CB LYS A 21 -6.552 4.179 5.239 1.00 0.00 C ATOM 309 CG LYS A 21 -5.972 4.144 6.654 1.00 0.00 C ATOM 310 CD LYS A 21 -4.810 5.134 6.754 1.00 0.00 C ATOM 311 CE LYS A 21 -3.897 4.734 7.915 1.00 0.00 C ATOM 312 NZ LYS A 21 -3.565 5.940 8.724 1.00 0.00 N ATOM 313 H LYS A 21 -6.076 4.616 2.508 1.00 0.00 H ATOM 314 HA LYS A 21 -4.656 3.282 4.780 1.00 0.00 H ATOM 315 HB2 LYS A 21 -6.690 5.205 4.931 1.00 0.00 H ATOM 316 HB3 LYS A 21 -7.502 3.668 5.229 1.00 0.00 H ATOM 317 HG2 LYS A 21 -6.739 4.415 7.364 1.00 0.00 H ATOM 318 HG3 LYS A 21 -5.615 3.149 6.872 1.00 0.00 H ATOM 319 HD2 LYS A 21 -4.247 5.124 5.832 1.00 0.00 H ATOM 320 HD3 LYS A 21 -5.195 6.127 6.930 1.00 0.00 H ATOM 321 HE2 LYS A 21 -4.401 4.009 8.537 1.00 0.00 H ATOM 322 HE3 LYS A 21 -2.988 4.301 7.525 1.00 0.00 H ATOM 323 HZ1 LYS A 21 -3.906 6.792 8.233 1.00 0.00 H ATOM 324 HZ2 LYS A 21 -4.023 5.869 9.656 1.00 0.00 H ATOM 325 HZ3 LYS A 21 -2.535 6.001 8.852 1.00 0.00 H ATOM 326 N THR A 22 -6.374 1.225 4.685 1.00 0.00 N ATOM 327 CA THR A 22 -6.969 -0.080 4.283 1.00 0.00 C ATOM 328 C THR A 22 -8.495 0.023 4.319 1.00 0.00 C ATOM 329 O THR A 22 -9.061 0.733 5.126 1.00 0.00 O ATOM 330 CB THR A 22 -6.509 -1.172 5.252 1.00 0.00 C ATOM 331 OG1 THR A 22 -6.914 -2.441 4.759 1.00 0.00 O ATOM 332 CG2 THR A 22 -7.134 -0.933 6.628 1.00 0.00 C ATOM 333 H THR A 22 -6.108 1.376 5.617 1.00 0.00 H ATOM 334 HA THR A 22 -6.648 -0.329 3.281 1.00 0.00 H ATOM 335 HB THR A 22 -5.433 -1.145 5.341 1.00 0.00 H ATOM 336 HG1 THR A 22 -6.335 -2.675 4.030 1.00 0.00 H ATOM 337 HG21 THR A 22 -8.210 -0.926 6.537 1.00 0.00 H ATOM 338 HG22 THR A 22 -6.833 -1.720 7.302 1.00 0.00 H ATOM 339 HG23 THR A 22 -6.799 0.019 7.014 1.00 0.00 H ATOM 340 N GLY A 23 -9.166 -0.680 3.448 1.00 0.00 N ATOM 341 CA GLY A 23 -10.656 -0.622 3.433 1.00 0.00 C ATOM 342 C GLY A 23 -11.110 0.740 2.905 1.00 0.00 C ATOM 343 O GLY A 23 -12.280 1.069 2.936 1.00 0.00 O ATOM 344 H GLY A 23 -8.692 -1.246 2.805 1.00 0.00 H ATOM 345 HA2 GLY A 23 -11.039 -1.404 2.793 1.00 0.00 H ATOM 346 HA3 GLY A 23 -11.032 -0.759 4.434 1.00 0.00 H ATOM 347 N ASP A 24 -10.196 1.536 2.422 1.00 0.00 N ATOM 348 CA ASP A 24 -10.579 2.876 1.894 1.00 0.00 C ATOM 349 C ASP A 24 -11.023 2.741 0.436 1.00 0.00 C ATOM 350 O ASP A 24 -10.349 2.139 -0.376 1.00 0.00 O ATOM 351 CB ASP A 24 -9.376 3.819 1.975 1.00 0.00 C ATOM 352 CG ASP A 24 -9.111 4.183 3.436 1.00 0.00 C ATOM 353 OD1 ASP A 24 -9.460 3.392 4.296 1.00 0.00 O ATOM 354 OD2 ASP A 24 -8.561 5.247 3.671 1.00 0.00 O ATOM 355 H ASP A 24 -9.258 1.253 2.406 1.00 0.00 H ATOM 356 HA ASP A 24 -11.390 3.276 2.482 1.00 0.00 H ATOM 357 HB2 ASP A 24 -8.506 3.329 1.560 1.00 0.00 H ATOM 358 HB3 ASP A 24 -9.585 4.717 1.414 1.00 0.00 H ATOM 359 N LEU A 25 -12.154 3.298 0.097 1.00 0.00 N ATOM 360 CA LEU A 25 -12.640 3.201 -1.308 1.00 0.00 C ATOM 361 C LEU A 25 -12.036 4.338 -2.136 1.00 0.00 C ATOM 362 O LEU A 25 -12.358 5.495 -1.946 1.00 0.00 O ATOM 363 CB LEU A 25 -14.167 3.311 -1.328 1.00 0.00 C ATOM 364 CG LEU A 25 -14.733 2.359 -2.381 1.00 0.00 C ATOM 365 CD1 LEU A 25 -16.241 2.202 -2.171 1.00 0.00 C ATOM 366 CD2 LEU A 25 -14.471 2.928 -3.778 1.00 0.00 C ATOM 367 H LEU A 25 -12.683 3.780 0.766 1.00 0.00 H ATOM 368 HA LEU A 25 -12.342 2.252 -1.728 1.00 0.00 H ATOM 369 HB2 LEU A 25 -14.558 3.049 -0.356 1.00 0.00 H ATOM 370 HB3 LEU A 25 -14.452 4.324 -1.571 1.00 0.00 H ATOM 371 HG LEU A 25 -14.255 1.393 -2.287 1.00 0.00 H ATOM 372 HD11 LEU A 25 -16.588 2.960 -1.485 1.00 0.00 H ATOM 373 HD12 LEU A 25 -16.749 2.312 -3.117 1.00 0.00 H ATOM 374 HD13 LEU A 25 -16.448 1.224 -1.762 1.00 0.00 H ATOM 375 HD21 LEU A 25 -13.760 3.738 -3.707 1.00 0.00 H ATOM 376 HD22 LEU A 25 -14.072 2.152 -4.414 1.00 0.00 H ATOM 377 HD23 LEU A 25 -15.396 3.296 -4.195 1.00 0.00 H ATOM 378 N ILE A 26 -11.164 4.019 -3.052 1.00 0.00 N ATOM 379 CA ILE A 26 -10.541 5.078 -3.889 1.00 0.00 C ATOM 380 C ILE A 26 -11.336 5.224 -5.190 1.00 0.00 C ATOM 381 O ILE A 26 -12.395 4.652 -5.348 1.00 0.00 O ATOM 382 CB ILE A 26 -9.101 4.675 -4.209 1.00 0.00 C ATOM 383 CG1 ILE A 26 -8.501 3.934 -3.011 1.00 0.00 C ATOM 384 CG2 ILE A 26 -8.267 5.923 -4.501 1.00 0.00 C ATOM 385 CD1 ILE A 26 -7.061 3.528 -3.331 1.00 0.00 C ATOM 386 H ILE A 26 -10.917 3.081 -3.190 1.00 0.00 H ATOM 387 HA ILE A 26 -10.544 6.015 -3.354 1.00 0.00 H ATOM 388 HB ILE A 26 -9.098 4.027 -5.071 1.00 0.00 H ATOM 389 HG12 ILE A 26 -8.510 4.582 -2.147 1.00 0.00 H ATOM 390 HG13 ILE A 26 -9.085 3.050 -2.804 1.00 0.00 H ATOM 391 HG21 ILE A 26 -8.770 6.793 -4.106 1.00 0.00 H ATOM 392 HG22 ILE A 26 -7.297 5.825 -4.034 1.00 0.00 H ATOM 393 HG23 ILE A 26 -8.143 6.032 -5.568 1.00 0.00 H ATOM 394 HD11 ILE A 26 -6.666 4.175 -4.098 1.00 0.00 H ATOM 395 HD12 ILE A 26 -6.457 3.615 -2.440 1.00 0.00 H ATOM 396 HD13 ILE A 26 -7.045 2.505 -3.678 1.00 0.00 H ATOM 397 N GLU A 27 -10.834 5.988 -6.121 1.00 0.00 N ATOM 398 CA GLU A 27 -11.563 6.168 -7.408 1.00 0.00 C ATOM 399 C GLU A 27 -10.555 6.396 -8.536 1.00 0.00 C ATOM 400 O GLU A 27 -9.619 7.158 -8.401 1.00 0.00 O ATOM 401 CB GLU A 27 -12.492 7.379 -7.302 1.00 0.00 C ATOM 402 CG GLU A 27 -13.712 7.014 -6.454 1.00 0.00 C ATOM 403 CD GLU A 27 -14.975 7.581 -7.104 1.00 0.00 C ATOM 404 OE1 GLU A 27 -15.069 7.523 -8.320 1.00 0.00 O ATOM 405 OE2 GLU A 27 -15.827 8.064 -6.376 1.00 0.00 O ATOM 406 H GLU A 27 -9.979 6.441 -5.975 1.00 0.00 H ATOM 407 HA GLU A 27 -12.146 5.284 -7.619 1.00 0.00 H ATOM 408 HB2 GLU A 27 -11.964 8.200 -6.840 1.00 0.00 H ATOM 409 HB3 GLU A 27 -12.817 7.671 -8.289 1.00 0.00 H ATOM 410 HG2 GLU A 27 -13.793 5.939 -6.384 1.00 0.00 H ATOM 411 HG3 GLU A 27 -13.601 7.432 -5.464 1.00 0.00 H ATOM 412 N VAL A 28 -10.738 5.739 -9.649 1.00 0.00 N ATOM 413 CA VAL A 28 -9.790 5.918 -10.785 1.00 0.00 C ATOM 414 C VAL A 28 -9.600 7.411 -11.061 1.00 0.00 C ATOM 415 O VAL A 28 -10.332 8.007 -11.826 1.00 0.00 O ATOM 416 CB VAL A 28 -10.353 5.235 -12.032 1.00 0.00 C ATOM 417 CG1 VAL A 28 -11.792 5.700 -12.263 1.00 0.00 C ATOM 418 CG2 VAL A 28 -9.498 5.608 -13.245 1.00 0.00 C ATOM 419 H VAL A 28 -11.499 5.129 -9.738 1.00 0.00 H ATOM 420 HA VAL A 28 -8.838 5.475 -10.530 1.00 0.00 H ATOM 421 HB VAL A 28 -10.339 4.164 -11.894 1.00 0.00 H ATOM 422 HG11 VAL A 28 -12.122 6.283 -11.417 1.00 0.00 H ATOM 423 HG12 VAL A 28 -11.836 6.304 -13.157 1.00 0.00 H ATOM 424 HG13 VAL A 28 -12.434 4.839 -12.378 1.00 0.00 H ATOM 425 HG21 VAL A 28 -8.724 6.298 -12.942 1.00 0.00 H ATOM 426 HG22 VAL A 28 -9.044 4.716 -13.653 1.00 0.00 H ATOM 427 HG23 VAL A 28 -10.120 6.071 -13.996 1.00 0.00 H ATOM 428 N GLU A 29 -8.619 8.018 -10.447 1.00 0.00 N ATOM 429 CA GLU A 29 -8.378 9.469 -10.674 1.00 0.00 C ATOM 430 C GLU A 29 -7.490 10.021 -9.557 1.00 0.00 C ATOM 431 O GLU A 29 -6.406 10.513 -9.798 1.00 0.00 O ATOM 432 CB GLU A 29 -9.714 10.217 -10.681 1.00 0.00 C ATOM 433 CG GLU A 29 -10.104 10.553 -12.122 1.00 0.00 C ATOM 434 CD GLU A 29 -9.607 11.958 -12.471 1.00 0.00 C ATOM 435 OE1 GLU A 29 -8.424 12.097 -12.736 1.00 0.00 O ATOM 436 OE2 GLU A 29 -10.418 12.869 -12.469 1.00 0.00 O ATOM 437 H GLU A 29 -8.039 7.518 -9.838 1.00 0.00 H ATOM 438 HA GLU A 29 -7.885 9.604 -11.624 1.00 0.00 H ATOM 439 HB2 GLU A 29 -10.477 9.595 -10.236 1.00 0.00 H ATOM 440 HB3 GLU A 29 -9.618 11.130 -10.114 1.00 0.00 H ATOM 441 HG2 GLU A 29 -9.656 9.835 -12.792 1.00 0.00 H ATOM 442 HG3 GLU A 29 -11.178 10.520 -12.221 1.00 0.00 H ATOM 443 N GLN A 30 -7.943 9.945 -8.335 1.00 0.00 N ATOM 444 CA GLN A 30 -7.125 10.466 -7.204 1.00 0.00 C ATOM 445 C GLN A 30 -5.764 9.768 -7.192 1.00 0.00 C ATOM 446 O GLN A 30 -5.581 8.732 -7.801 1.00 0.00 O ATOM 447 CB GLN A 30 -7.848 10.194 -5.884 1.00 0.00 C ATOM 448 CG GLN A 30 -7.458 11.261 -4.858 1.00 0.00 C ATOM 449 CD GLN A 30 -8.150 10.966 -3.526 1.00 0.00 C ATOM 450 OE1 GLN A 30 -8.612 11.869 -2.855 1.00 0.00 O ATOM 451 NE2 GLN A 30 -8.243 9.732 -3.112 1.00 0.00 N ATOM 452 H GLN A 30 -8.821 9.545 -8.161 1.00 0.00 H ATOM 453 HA GLN A 30 -6.982 11.530 -7.323 1.00 0.00 H ATOM 454 HB2 GLN A 30 -8.916 10.222 -6.046 1.00 0.00 H ATOM 455 HB3 GLN A 30 -7.566 9.220 -5.511 1.00 0.00 H ATOM 456 HG2 GLN A 30 -6.387 11.252 -4.718 1.00 0.00 H ATOM 457 HG3 GLN A 30 -7.767 12.232 -5.214 1.00 0.00 H ATOM 458 HE21 GLN A 30 -7.871 9.005 -3.653 1.00 0.00 H ATOM 459 HE22 GLN A 30 -8.684 9.534 -2.260 1.00 0.00 H ATOM 460 N GLY A 31 -4.806 10.326 -6.504 1.00 0.00 N ATOM 461 CA GLY A 31 -3.457 9.694 -6.453 1.00 0.00 C ATOM 462 C GLY A 31 -3.466 8.552 -5.436 1.00 0.00 C ATOM 463 O GLY A 31 -4.473 8.262 -4.823 1.00 0.00 O ATOM 464 H GLY A 31 -4.973 11.162 -6.019 1.00 0.00 H ATOM 465 HA2 GLY A 31 -3.204 9.308 -7.430 1.00 0.00 H ATOM 466 HA3 GLY A 31 -2.725 10.430 -6.156 1.00 0.00 H ATOM 467 N LEU A 32 -2.351 7.899 -5.253 1.00 0.00 N ATOM 468 CA LEU A 32 -2.297 6.777 -4.275 1.00 0.00 C ATOM 469 C LEU A 32 -0.940 6.777 -3.570 1.00 0.00 C ATOM 470 O LEU A 32 -0.849 6.552 -2.379 1.00 0.00 O ATOM 471 CB LEU A 32 -2.489 5.448 -5.012 1.00 0.00 C ATOM 472 CG LEU A 32 -3.488 4.580 -4.247 1.00 0.00 C ATOM 473 CD1 LEU A 32 -4.442 3.908 -5.236 1.00 0.00 C ATOM 474 CD2 LEU A 32 -2.732 3.507 -3.460 1.00 0.00 C ATOM 475 H LEU A 32 -1.548 8.148 -5.758 1.00 0.00 H ATOM 476 HA LEU A 32 -3.083 6.898 -3.545 1.00 0.00 H ATOM 477 HB2 LEU A 32 -2.863 5.640 -6.007 1.00 0.00 H ATOM 478 HB3 LEU A 32 -1.542 4.933 -5.076 1.00 0.00 H ATOM 479 HG LEU A 32 -4.054 5.198 -3.565 1.00 0.00 H ATOM 480 HD11 LEU A 32 -3.944 3.777 -6.185 1.00 0.00 H ATOM 481 HD12 LEU A 32 -4.740 2.944 -4.850 1.00 0.00 H ATOM 482 HD13 LEU A 32 -5.316 4.527 -5.371 1.00 0.00 H ATOM 483 HD21 LEU A 32 -1.681 3.556 -3.704 1.00 0.00 H ATOM 484 HD22 LEU A 32 -2.866 3.675 -2.402 1.00 0.00 H ATOM 485 HD23 LEU A 32 -3.116 2.532 -3.721 1.00 0.00 H ATOM 486 N VAL A 33 0.118 7.030 -4.293 1.00 0.00 N ATOM 487 CA VAL A 33 1.466 7.044 -3.658 1.00 0.00 C ATOM 488 C VAL A 33 2.431 7.854 -4.525 1.00 0.00 C ATOM 489 O VAL A 33 2.098 8.276 -5.614 1.00 0.00 O ATOM 490 CB VAL A 33 1.981 5.609 -3.524 1.00 0.00 C ATOM 491 CG1 VAL A 33 1.007 4.793 -2.674 1.00 0.00 C ATOM 492 CG2 VAL A 33 2.095 4.979 -4.915 1.00 0.00 C ATOM 493 H VAL A 33 0.026 7.209 -5.252 1.00 0.00 H ATOM 494 HA VAL A 33 1.398 7.493 -2.678 1.00 0.00 H ATOM 495 HB VAL A 33 2.953 5.619 -3.051 1.00 0.00 H ATOM 496 HG11 VAL A 33 0.829 5.304 -1.740 1.00 0.00 H ATOM 497 HG12 VAL A 33 0.074 4.678 -3.206 1.00 0.00 H ATOM 498 HG13 VAL A 33 1.431 3.819 -2.476 1.00 0.00 H ATOM 499 HG21 VAL A 33 2.668 5.629 -5.559 1.00 0.00 H ATOM 500 HG22 VAL A 33 2.589 4.022 -4.837 1.00 0.00 H ATOM 501 HG23 VAL A 33 1.108 4.841 -5.330 1.00 0.00 H ATOM 502 N VAL A 34 3.626 8.074 -4.050 1.00 0.00 N ATOM 503 CA VAL A 34 4.613 8.856 -4.847 1.00 0.00 C ATOM 504 C VAL A 34 5.952 8.118 -4.867 1.00 0.00 C ATOM 505 O VAL A 34 6.682 8.110 -3.897 1.00 0.00 O ATOM 506 CB VAL A 34 4.801 10.236 -4.213 1.00 0.00 C ATOM 507 CG1 VAL A 34 5.864 11.014 -4.989 1.00 0.00 C ATOM 508 CG2 VAL A 34 3.476 11.002 -4.259 1.00 0.00 C ATOM 509 H VAL A 34 3.876 7.724 -3.169 1.00 0.00 H ATOM 510 HA VAL A 34 4.249 8.971 -5.857 1.00 0.00 H ATOM 511 HB VAL A 34 5.117 10.121 -3.187 1.00 0.00 H ATOM 512 HG11 VAL A 34 6.073 10.508 -5.920 1.00 0.00 H ATOM 513 HG12 VAL A 34 5.503 12.011 -5.195 1.00 0.00 H ATOM 514 HG13 VAL A 34 6.767 11.073 -4.401 1.00 0.00 H ATOM 515 HG21 VAL A 34 2.789 10.493 -4.919 1.00 0.00 H ATOM 516 HG22 VAL A 34 3.053 11.049 -3.266 1.00 0.00 H ATOM 517 HG23 VAL A 34 3.651 12.003 -4.623 1.00 0.00 H ATOM 518 N LEU A 35 6.280 7.495 -5.966 1.00 0.00 N ATOM 519 CA LEU A 35 7.572 6.757 -6.047 1.00 0.00 C ATOM 520 C LEU A 35 8.666 7.698 -6.555 1.00 0.00 C ATOM 521 O LEU A 35 8.391 8.758 -7.081 1.00 0.00 O ATOM 522 CB LEU A 35 7.427 5.578 -7.010 1.00 0.00 C ATOM 523 CG LEU A 35 6.902 4.359 -6.250 1.00 0.00 C ATOM 524 CD1 LEU A 35 5.400 4.208 -6.500 1.00 0.00 C ATOM 525 CD2 LEU A 35 7.628 3.104 -6.737 1.00 0.00 C ATOM 526 H LEU A 35 5.678 7.513 -6.738 1.00 0.00 H ATOM 527 HA LEU A 35 7.839 6.391 -5.067 1.00 0.00 H ATOM 528 HB2 LEU A 35 6.733 5.839 -7.796 1.00 0.00 H ATOM 529 HB3 LEU A 35 8.387 5.344 -7.441 1.00 0.00 H ATOM 530 HG LEU A 35 7.078 4.492 -5.191 1.00 0.00 H ATOM 531 HD11 LEU A 35 4.922 5.171 -6.412 1.00 0.00 H ATOM 532 HD12 LEU A 35 5.239 3.815 -7.494 1.00 0.00 H ATOM 533 HD13 LEU A 35 4.980 3.528 -5.773 1.00 0.00 H ATOM 534 HD21 LEU A 35 8.534 3.389 -7.253 1.00 0.00 H ATOM 535 HD22 LEU A 35 7.877 2.481 -5.891 1.00 0.00 H ATOM 536 HD23 LEU A 35 6.988 2.556 -7.411 1.00 0.00 H ATOM 537 N GLU A 36 9.906 7.320 -6.402 1.00 0.00 N ATOM 538 CA GLU A 36 11.016 8.193 -6.877 1.00 0.00 C ATOM 539 C GLU A 36 11.801 7.470 -7.973 1.00 0.00 C ATOM 540 O GLU A 36 11.762 6.261 -8.083 1.00 0.00 O ATOM 541 CB GLU A 36 11.949 8.512 -5.707 1.00 0.00 C ATOM 542 CG GLU A 36 13.230 9.161 -6.236 1.00 0.00 C ATOM 543 CD GLU A 36 13.956 9.868 -5.091 1.00 0.00 C ATOM 544 OE1 GLU A 36 13.370 10.765 -4.508 1.00 0.00 O ATOM 545 OE2 GLU A 36 15.086 9.501 -4.816 1.00 0.00 O ATOM 546 H GLU A 36 10.107 6.461 -5.975 1.00 0.00 H ATOM 547 HA GLU A 36 10.608 9.112 -7.272 1.00 0.00 H ATOM 548 HB2 GLU A 36 11.455 9.192 -5.027 1.00 0.00 H ATOM 549 HB3 GLU A 36 12.199 7.600 -5.186 1.00 0.00 H ATOM 550 HG2 GLU A 36 13.871 8.399 -6.656 1.00 0.00 H ATOM 551 HG3 GLU A 36 12.979 9.881 -7.001 1.00 0.00 H ATOM 552 N SER A 37 12.513 8.202 -8.785 1.00 0.00 N ATOM 553 CA SER A 37 13.300 7.556 -9.874 1.00 0.00 C ATOM 554 C SER A 37 14.736 8.080 -9.844 1.00 0.00 C ATOM 555 O SER A 37 15.091 8.903 -9.023 1.00 0.00 O ATOM 556 CB SER A 37 12.665 7.884 -11.225 1.00 0.00 C ATOM 557 OG SER A 37 13.010 6.874 -12.164 1.00 0.00 O ATOM 558 H SER A 37 12.531 9.176 -8.680 1.00 0.00 H ATOM 559 HA SER A 37 13.304 6.486 -9.728 1.00 0.00 H ATOM 560 HB2 SER A 37 11.593 7.921 -11.123 1.00 0.00 H ATOM 561 HB3 SER A 37 13.026 8.846 -11.567 1.00 0.00 H ATOM 562 HG SER A 37 12.273 6.261 -12.224 1.00 0.00 H ATOM 563 N ALA A 38 15.568 7.611 -10.734 1.00 0.00 N ATOM 564 CA ALA A 38 16.981 8.083 -10.756 1.00 0.00 C ATOM 565 C ALA A 38 17.012 9.604 -10.588 1.00 0.00 C ATOM 566 O ALA A 38 17.606 10.124 -9.665 1.00 0.00 O ATOM 567 CB ALA A 38 17.625 7.703 -12.090 1.00 0.00 C ATOM 568 H ALA A 38 15.263 6.948 -11.388 1.00 0.00 H ATOM 569 HA ALA A 38 17.527 7.620 -9.947 1.00 0.00 H ATOM 570 HB1 ALA A 38 17.034 8.103 -12.902 1.00 0.00 H ATOM 571 HB2 ALA A 38 18.624 8.112 -12.138 1.00 0.00 H ATOM 572 HB3 ALA A 38 17.671 6.628 -12.175 1.00 0.00 H ATOM 573 N LYS A 39 16.378 10.321 -11.475 1.00 0.00 N ATOM 574 CA LYS A 39 16.371 11.807 -11.365 1.00 0.00 C ATOM 575 C LYS A 39 14.990 12.341 -11.746 1.00 0.00 C ATOM 576 O LYS A 39 14.856 13.184 -12.610 1.00 0.00 O ATOM 577 CB LYS A 39 17.423 12.392 -12.311 1.00 0.00 C ATOM 578 CG LYS A 39 17.234 11.804 -13.711 1.00 0.00 C ATOM 579 CD LYS A 39 18.496 11.040 -14.118 1.00 0.00 C ATOM 580 CE LYS A 39 18.763 11.254 -15.609 1.00 0.00 C ATOM 581 NZ LYS A 39 20.162 11.733 -15.798 1.00 0.00 N ATOM 582 H LYS A 39 15.904 9.883 -12.212 1.00 0.00 H ATOM 583 HA LYS A 39 16.601 12.094 -10.350 1.00 0.00 H ATOM 584 HB2 LYS A 39 17.311 13.466 -12.352 1.00 0.00 H ATOM 585 HB3 LYS A 39 18.410 12.146 -11.949 1.00 0.00 H ATOM 586 HG2 LYS A 39 16.389 11.131 -13.707 1.00 0.00 H ATOM 587 HG3 LYS A 39 17.056 12.602 -14.416 1.00 0.00 H ATOM 588 HD2 LYS A 39 19.337 11.401 -13.544 1.00 0.00 H ATOM 589 HD3 LYS A 39 18.356 9.987 -13.927 1.00 0.00 H ATOM 590 HE2 LYS A 39 18.628 10.322 -16.137 1.00 0.00 H ATOM 591 HE3 LYS A 39 18.075 11.991 -15.997 1.00 0.00 H ATOM 592 HZ1 LYS A 39 20.738 11.454 -14.979 1.00 0.00 H ATOM 593 HZ2 LYS A 39 20.558 11.310 -16.663 1.00 0.00 H ATOM 594 HZ3 LYS A 39 20.165 12.769 -15.885 1.00 0.00 H ATOM 595 N ALA A 40 13.959 11.856 -11.108 1.00 0.00 N ATOM 596 CA ALA A 40 12.587 12.336 -11.435 1.00 0.00 C ATOM 597 C ALA A 40 11.584 11.714 -10.462 1.00 0.00 C ATOM 598 O ALA A 40 11.742 10.590 -10.027 1.00 0.00 O ATOM 599 CB ALA A 40 12.232 11.929 -12.865 1.00 0.00 C ATOM 600 H ALA A 40 14.088 11.176 -10.414 1.00 0.00 H ATOM 601 HA ALA A 40 12.553 13.412 -11.347 1.00 0.00 H ATOM 602 HB1 ALA A 40 13.117 11.572 -13.369 1.00 0.00 H ATOM 603 HB2 ALA A 40 11.490 11.144 -12.842 1.00 0.00 H ATOM 604 HB3 ALA A 40 11.835 12.783 -13.395 1.00 0.00 H ATOM 605 N SER A 41 10.552 12.434 -10.118 1.00 0.00 N ATOM 606 CA SER A 41 9.539 11.882 -9.174 1.00 0.00 C ATOM 607 C SER A 41 8.276 11.502 -9.948 1.00 0.00 C ATOM 608 O SER A 41 7.824 12.225 -10.813 1.00 0.00 O ATOM 609 CB SER A 41 9.194 12.937 -8.122 1.00 0.00 C ATOM 610 OG SER A 41 8.454 13.986 -8.735 1.00 0.00 O ATOM 611 H SER A 41 10.443 13.338 -10.480 1.00 0.00 H ATOM 612 HA SER A 41 9.941 11.006 -8.687 1.00 0.00 H ATOM 613 HB2 SER A 41 8.599 12.491 -7.343 1.00 0.00 H ATOM 614 HB3 SER A 41 10.107 13.329 -7.694 1.00 0.00 H ATOM 615 HG SER A 41 9.014 14.394 -9.400 1.00 0.00 H ATOM 616 N MET A 42 7.701 10.369 -9.644 1.00 0.00 N ATOM 617 CA MET A 42 6.468 9.944 -10.363 1.00 0.00 C ATOM 618 C MET A 42 5.328 9.763 -9.358 1.00 0.00 C ATOM 619 O MET A 42 5.503 9.940 -8.169 1.00 0.00 O ATOM 620 CB MET A 42 6.729 8.618 -11.082 1.00 0.00 C ATOM 621 CG MET A 42 7.850 8.805 -12.105 1.00 0.00 C ATOM 622 SD MET A 42 7.160 8.739 -13.777 1.00 0.00 S ATOM 623 CE MET A 42 8.510 9.605 -14.614 1.00 0.00 C ATOM 624 H MET A 42 8.082 9.800 -8.944 1.00 0.00 H ATOM 625 HA MET A 42 6.194 10.698 -11.086 1.00 0.00 H ATOM 626 HB2 MET A 42 7.018 7.869 -10.360 1.00 0.00 H ATOM 627 HB3 MET A 42 5.830 8.301 -11.590 1.00 0.00 H ATOM 628 HG2 MET A 42 8.325 9.761 -11.949 1.00 0.00 H ATOM 629 HG3 MET A 42 8.580 8.017 -11.987 1.00 0.00 H ATOM 630 HE1 MET A 42 9.416 9.507 -14.031 1.00 0.00 H ATOM 631 HE2 MET A 42 8.665 9.175 -15.590 1.00 0.00 H ATOM 632 HE3 MET A 42 8.255 10.651 -14.720 1.00 0.00 H ATOM 633 N GLU A 43 4.162 9.413 -9.826 1.00 0.00 N ATOM 634 CA GLU A 43 3.013 9.221 -8.897 1.00 0.00 C ATOM 635 C GLU A 43 2.222 7.980 -9.312 1.00 0.00 C ATOM 636 O GLU A 43 2.332 7.506 -10.426 1.00 0.00 O ATOM 637 CB GLU A 43 2.101 10.450 -8.953 1.00 0.00 C ATOM 638 CG GLU A 43 2.222 11.235 -7.645 1.00 0.00 C ATOM 639 CD GLU A 43 1.492 12.572 -7.783 1.00 0.00 C ATOM 640 OE1 GLU A 43 1.016 12.855 -8.869 1.00 0.00 O ATOM 641 OE2 GLU A 43 1.421 13.289 -6.799 1.00 0.00 O ATOM 642 H GLU A 43 4.041 9.275 -10.789 1.00 0.00 H ATOM 643 HA GLU A 43 3.382 9.093 -7.890 1.00 0.00 H ATOM 644 HB2 GLU A 43 2.396 11.079 -9.780 1.00 0.00 H ATOM 645 HB3 GLU A 43 1.078 10.132 -9.087 1.00 0.00 H ATOM 646 HG2 GLU A 43 1.781 10.664 -6.841 1.00 0.00 H ATOM 647 HG3 GLU A 43 3.264 11.416 -7.429 1.00 0.00 H ATOM 648 N VAL A 44 1.426 7.448 -8.426 1.00 0.00 N ATOM 649 CA VAL A 44 0.629 6.237 -8.771 1.00 0.00 C ATOM 650 C VAL A 44 -0.761 6.345 -8.135 1.00 0.00 C ATOM 651 O VAL A 44 -0.934 6.026 -6.976 1.00 0.00 O ATOM 652 CB VAL A 44 1.338 4.992 -8.233 1.00 0.00 C ATOM 653 CG1 VAL A 44 0.936 3.775 -9.067 1.00 0.00 C ATOM 654 CG2 VAL A 44 2.853 5.191 -8.323 1.00 0.00 C ATOM 655 H VAL A 44 1.351 7.845 -7.533 1.00 0.00 H ATOM 656 HA VAL A 44 0.534 6.161 -9.844 1.00 0.00 H ATOM 657 HB VAL A 44 1.054 4.833 -7.203 1.00 0.00 H ATOM 658 HG11 VAL A 44 0.030 3.996 -9.612 1.00 0.00 H ATOM 659 HG12 VAL A 44 1.726 3.538 -9.763 1.00 0.00 H ATOM 660 HG13 VAL A 44 0.766 2.931 -8.414 1.00 0.00 H ATOM 661 HG21 VAL A 44 3.087 5.784 -9.196 1.00 0.00 H ATOM 662 HG22 VAL A 44 3.202 5.701 -7.438 1.00 0.00 H ATOM 663 HG23 VAL A 44 3.338 4.230 -8.400 1.00 0.00 H ATOM 664 N PRO A 45 -1.712 6.794 -8.916 1.00 0.00 N ATOM 665 CA PRO A 45 -3.102 6.958 -8.456 1.00 0.00 C ATOM 666 C PRO A 45 -3.814 5.604 -8.412 1.00 0.00 C ATOM 667 O PRO A 45 -3.200 4.563 -8.525 1.00 0.00 O ATOM 668 CB PRO A 45 -3.726 7.869 -9.516 1.00 0.00 C ATOM 669 CG PRO A 45 -2.861 7.714 -10.787 1.00 0.00 C ATOM 670 CD PRO A 45 -1.492 7.178 -10.325 1.00 0.00 C ATOM 671 HA PRO A 45 -3.133 7.438 -7.492 1.00 0.00 H ATOM 672 HB2 PRO A 45 -4.744 7.560 -9.715 1.00 0.00 H ATOM 673 HB3 PRO A 45 -3.706 8.895 -9.184 1.00 0.00 H ATOM 674 HG2 PRO A 45 -3.326 7.013 -11.467 1.00 0.00 H ATOM 675 HG3 PRO A 45 -2.734 8.671 -11.269 1.00 0.00 H ATOM 676 HD2 PRO A 45 -1.206 6.318 -10.915 1.00 0.00 H ATOM 677 HD3 PRO A 45 -0.741 7.951 -10.388 1.00 0.00 H ATOM 678 N SER A 46 -5.108 5.615 -8.249 1.00 0.00 N ATOM 679 CA SER A 46 -5.866 4.334 -8.196 1.00 0.00 C ATOM 680 C SER A 46 -6.204 3.881 -9.623 1.00 0.00 C ATOM 681 O SER A 46 -6.973 4.529 -10.304 1.00 0.00 O ATOM 682 CB SER A 46 -7.162 4.545 -7.413 1.00 0.00 C ATOM 683 OG SER A 46 -8.141 3.621 -7.867 1.00 0.00 O ATOM 684 H SER A 46 -5.581 6.469 -8.160 1.00 0.00 H ATOM 685 HA SER A 46 -5.268 3.584 -7.702 1.00 0.00 H ATOM 686 HB2 SER A 46 -6.981 4.385 -6.363 1.00 0.00 H ATOM 687 HB3 SER A 46 -7.511 5.559 -7.564 1.00 0.00 H ATOM 688 HG SER A 46 -7.769 2.738 -7.800 1.00 0.00 H ATOM 689 N PRO A 47 -5.626 2.779 -10.035 1.00 0.00 N ATOM 690 CA PRO A 47 -5.857 2.222 -11.380 1.00 0.00 C ATOM 691 C PRO A 47 -7.203 1.493 -11.428 1.00 0.00 C ATOM 692 O PRO A 47 -7.580 0.929 -12.435 1.00 0.00 O ATOM 693 CB PRO A 47 -4.697 1.242 -11.568 1.00 0.00 C ATOM 694 CG PRO A 47 -4.206 0.870 -10.149 1.00 0.00 C ATOM 695 CD PRO A 47 -4.691 1.989 -9.209 1.00 0.00 C ATOM 696 HA PRO A 47 -5.814 2.997 -12.127 1.00 0.00 H ATOM 697 HB2 PRO A 47 -5.040 0.359 -12.090 1.00 0.00 H ATOM 698 HB3 PRO A 47 -3.897 1.713 -12.119 1.00 0.00 H ATOM 699 HG2 PRO A 47 -4.628 -0.080 -9.850 1.00 0.00 H ATOM 700 HG3 PRO A 47 -3.128 0.820 -10.131 1.00 0.00 H ATOM 701 HD2 PRO A 47 -5.201 1.568 -8.354 1.00 0.00 H ATOM 702 HD3 PRO A 47 -3.862 2.604 -8.892 1.00 0.00 H ATOM 703 N LYS A 48 -7.930 1.503 -10.344 1.00 0.00 N ATOM 704 CA LYS A 48 -9.249 0.812 -10.324 1.00 0.00 C ATOM 705 C LYS A 48 -10.094 1.366 -9.174 1.00 0.00 C ATOM 706 O LYS A 48 -9.607 1.589 -8.084 1.00 0.00 O ATOM 707 CB LYS A 48 -9.037 -0.689 -10.123 1.00 0.00 C ATOM 708 CG LYS A 48 -10.358 -1.428 -10.351 1.00 0.00 C ATOM 709 CD LYS A 48 -10.788 -1.267 -11.811 1.00 0.00 C ATOM 710 CE LYS A 48 -10.756 -2.630 -12.505 1.00 0.00 C ATOM 711 NZ LYS A 48 -11.810 -3.507 -11.924 1.00 0.00 N ATOM 712 H LYS A 48 -7.607 1.964 -9.542 1.00 0.00 H ATOM 713 HA LYS A 48 -9.760 0.983 -11.260 1.00 0.00 H ATOM 714 HB2 LYS A 48 -8.298 -1.045 -10.826 1.00 0.00 H ATOM 715 HB3 LYS A 48 -8.694 -0.873 -9.115 1.00 0.00 H ATOM 716 HG2 LYS A 48 -10.226 -2.477 -10.127 1.00 0.00 H ATOM 717 HG3 LYS A 48 -11.118 -1.014 -9.707 1.00 0.00 H ATOM 718 HD2 LYS A 48 -11.789 -0.865 -11.849 1.00 0.00 H ATOM 719 HD3 LYS A 48 -10.109 -0.594 -12.314 1.00 0.00 H ATOM 720 HE2 LYS A 48 -10.939 -2.499 -13.562 1.00 0.00 H ATOM 721 HE3 LYS A 48 -9.788 -3.085 -12.361 1.00 0.00 H ATOM 722 HZ1 LYS A 48 -11.949 -3.267 -10.922 1.00 0.00 H ATOM 723 HZ2 LYS A 48 -12.703 -3.367 -12.438 1.00 0.00 H ATOM 724 HZ3 LYS A 48 -11.516 -4.503 -12.005 1.00 0.00 H ATOM 725 N ALA A 49 -11.359 1.590 -9.408 1.00 0.00 N ATOM 726 CA ALA A 49 -12.232 2.129 -8.328 1.00 0.00 C ATOM 727 C ALA A 49 -12.705 0.982 -7.433 1.00 0.00 C ATOM 728 O ALA A 49 -13.601 0.239 -7.780 1.00 0.00 O ATOM 729 CB ALA A 49 -13.445 2.822 -8.951 1.00 0.00 C ATOM 730 H ALA A 49 -11.734 1.403 -10.294 1.00 0.00 H ATOM 731 HA ALA A 49 -11.675 2.841 -7.737 1.00 0.00 H ATOM 732 HB1 ALA A 49 -13.174 3.225 -9.916 1.00 0.00 H ATOM 733 HB2 ALA A 49 -14.246 2.108 -9.072 1.00 0.00 H ATOM 734 HB3 ALA A 49 -13.773 3.624 -8.306 1.00 0.00 H ATOM 735 N GLY A 50 -12.110 0.831 -6.281 1.00 0.00 N ATOM 736 CA GLY A 50 -12.526 -0.269 -5.365 1.00 0.00 C ATOM 737 C GLY A 50 -12.087 0.060 -3.937 1.00 0.00 C ATOM 738 O GLY A 50 -11.692 1.169 -3.639 1.00 0.00 O ATOM 739 H GLY A 50 -11.389 1.441 -6.018 1.00 0.00 H ATOM 740 HA2 GLY A 50 -13.601 -0.376 -5.398 1.00 0.00 H ATOM 741 HA3 GLY A 50 -12.063 -1.192 -5.677 1.00 0.00 H ATOM 742 N VAL A 51 -12.152 -0.896 -3.052 1.00 0.00 N ATOM 743 CA VAL A 51 -11.737 -0.638 -1.644 1.00 0.00 C ATOM 744 C VAL A 51 -10.444 -1.397 -1.346 1.00 0.00 C ATOM 745 O VAL A 51 -10.277 -2.535 -1.737 1.00 0.00 O ATOM 746 CB VAL A 51 -12.839 -1.111 -0.693 1.00 0.00 C ATOM 747 CG1 VAL A 51 -12.996 -2.629 -0.810 1.00 0.00 C ATOM 748 CG2 VAL A 51 -12.461 -0.747 0.744 1.00 0.00 C ATOM 749 H VAL A 51 -12.473 -1.785 -3.313 1.00 0.00 H ATOM 750 HA VAL A 51 -11.574 0.421 -1.506 1.00 0.00 H ATOM 751 HB VAL A 51 -13.771 -0.632 -0.956 1.00 0.00 H ATOM 752 HG11 VAL A 51 -12.545 -2.968 -1.730 1.00 0.00 H ATOM 753 HG12 VAL A 51 -12.508 -3.106 0.028 1.00 0.00 H ATOM 754 HG13 VAL A 51 -14.045 -2.883 -0.807 1.00 0.00 H ATOM 755 HG21 VAL A 51 -11.451 -0.364 0.765 1.00 0.00 H ATOM 756 HG22 VAL A 51 -13.139 0.007 1.115 1.00 0.00 H ATOM 757 HG23 VAL A 51 -12.525 -1.627 1.367 1.00 0.00 H ATOM 758 N VAL A 52 -9.527 -0.777 -0.655 1.00 0.00 N ATOM 759 CA VAL A 52 -8.245 -1.466 -0.332 1.00 0.00 C ATOM 760 C VAL A 52 -8.539 -2.774 0.405 1.00 0.00 C ATOM 761 O VAL A 52 -9.168 -2.785 1.444 1.00 0.00 O ATOM 762 CB VAL A 52 -7.390 -0.561 0.558 1.00 0.00 C ATOM 763 CG1 VAL A 52 -6.181 -1.344 1.070 1.00 0.00 C ATOM 764 CG2 VAL A 52 -6.909 0.643 -0.255 1.00 0.00 C ATOM 765 H VAL A 52 -9.681 0.140 -0.348 1.00 0.00 H ATOM 766 HA VAL A 52 -7.712 -1.680 -1.246 1.00 0.00 H ATOM 767 HB VAL A 52 -7.981 -0.221 1.396 1.00 0.00 H ATOM 768 HG11 VAL A 52 -6.519 -2.226 1.595 1.00 0.00 H ATOM 769 HG12 VAL A 52 -5.561 -1.638 0.235 1.00 0.00 H ATOM 770 HG13 VAL A 52 -5.608 -0.723 1.743 1.00 0.00 H ATOM 771 HG21 VAL A 52 -7.694 0.962 -0.926 1.00 0.00 H ATOM 772 HG22 VAL A 52 -6.658 1.452 0.415 1.00 0.00 H ATOM 773 HG23 VAL A 52 -6.037 0.366 -0.827 1.00 0.00 H ATOM 774 N LYS A 53 -8.089 -3.879 -0.126 1.00 0.00 N ATOM 775 CA LYS A 53 -8.344 -5.185 0.545 1.00 0.00 C ATOM 776 C LYS A 53 -7.150 -5.544 1.432 1.00 0.00 C ATOM 777 O LYS A 53 -7.304 -5.888 2.587 1.00 0.00 O ATOM 778 CB LYS A 53 -8.538 -6.272 -0.514 1.00 0.00 C ATOM 779 CG LYS A 53 -9.671 -7.206 -0.085 1.00 0.00 C ATOM 780 CD LYS A 53 -9.083 -8.442 0.599 1.00 0.00 C ATOM 781 CE LYS A 53 -9.655 -9.705 -0.048 1.00 0.00 C ATOM 782 NZ LYS A 53 -11.121 -9.775 0.208 1.00 0.00 N ATOM 783 H LYS A 53 -7.585 -3.849 -0.965 1.00 0.00 H ATOM 784 HA LYS A 53 -9.234 -5.110 1.152 1.00 0.00 H ATOM 785 HB2 LYS A 53 -8.787 -5.813 -1.460 1.00 0.00 H ATOM 786 HB3 LYS A 53 -7.627 -6.840 -0.619 1.00 0.00 H ATOM 787 HG2 LYS A 53 -10.323 -6.688 0.603 1.00 0.00 H ATOM 788 HG3 LYS A 53 -10.234 -7.512 -0.954 1.00 0.00 H ATOM 789 HD2 LYS A 53 -8.008 -8.436 0.490 1.00 0.00 H ATOM 790 HD3 LYS A 53 -9.340 -8.430 1.647 1.00 0.00 H ATOM 791 HE2 LYS A 53 -9.476 -9.676 -1.114 1.00 0.00 H ATOM 792 HE3 LYS A 53 -9.174 -10.575 0.373 1.00 0.00 H ATOM 793 HZ1 LYS A 53 -11.320 -9.457 1.177 1.00 0.00 H ATOM 794 HZ2 LYS A 53 -11.620 -9.160 -0.468 1.00 0.00 H ATOM 795 HZ3 LYS A 53 -11.448 -10.755 0.093 1.00 0.00 H ATOM 796 N SER A 54 -5.960 -5.467 0.901 1.00 0.00 N ATOM 797 CA SER A 54 -4.759 -5.804 1.715 1.00 0.00 C ATOM 798 C SER A 54 -3.564 -4.982 1.225 1.00 0.00 C ATOM 799 O SER A 54 -3.581 -4.429 0.144 1.00 0.00 O ATOM 800 CB SER A 54 -4.446 -7.294 1.569 1.00 0.00 C ATOM 801 OG SER A 54 -3.562 -7.692 2.609 1.00 0.00 O ATOM 802 H SER A 54 -5.858 -5.188 -0.033 1.00 0.00 H ATOM 803 HA SER A 54 -4.951 -5.577 2.752 1.00 0.00 H ATOM 804 HB2 SER A 54 -5.357 -7.864 1.640 1.00 0.00 H ATOM 805 HB3 SER A 54 -3.988 -7.472 0.605 1.00 0.00 H ATOM 806 HG SER A 54 -4.052 -7.678 3.435 1.00 0.00 H ATOM 807 N VAL A 55 -2.527 -4.899 2.011 1.00 0.00 N ATOM 808 CA VAL A 55 -1.334 -4.112 1.590 1.00 0.00 C ATOM 809 C VAL A 55 -0.105 -5.024 1.566 1.00 0.00 C ATOM 810 O VAL A 55 0.155 -5.757 2.499 1.00 0.00 O ATOM 811 CB VAL A 55 -1.100 -2.970 2.580 1.00 0.00 C ATOM 812 CG1 VAL A 55 0.062 -2.102 2.094 1.00 0.00 C ATOM 813 CG2 VAL A 55 -2.367 -2.115 2.677 1.00 0.00 C ATOM 814 H VAL A 55 -2.533 -5.353 2.880 1.00 0.00 H ATOM 815 HA VAL A 55 -1.500 -3.706 0.603 1.00 0.00 H ATOM 816 HB VAL A 55 -0.864 -3.378 3.552 1.00 0.00 H ATOM 817 HG11 VAL A 55 0.451 -2.505 1.170 1.00 0.00 H ATOM 818 HG12 VAL A 55 -0.286 -1.093 1.928 1.00 0.00 H ATOM 819 HG13 VAL A 55 0.843 -2.095 2.841 1.00 0.00 H ATOM 820 HG21 VAL A 55 -3.202 -2.662 2.266 1.00 0.00 H ATOM 821 HG22 VAL A 55 -2.564 -1.881 3.713 1.00 0.00 H ATOM 822 HG23 VAL A 55 -2.227 -1.199 2.121 1.00 0.00 H ATOM 823 N SER A 56 0.654 -4.984 0.505 1.00 0.00 N ATOM 824 CA SER A 56 1.865 -5.848 0.421 1.00 0.00 C ATOM 825 C SER A 56 3.115 -4.969 0.360 1.00 0.00 C ATOM 826 O SER A 56 4.162 -5.393 -0.088 1.00 0.00 O ATOM 827 CB SER A 56 1.788 -6.713 -0.838 1.00 0.00 C ATOM 828 OG SER A 56 1.752 -8.084 -0.463 1.00 0.00 O ATOM 829 H SER A 56 0.427 -4.385 -0.238 1.00 0.00 H ATOM 830 HA SER A 56 1.914 -6.483 1.292 1.00 0.00 H ATOM 831 HB2 SER A 56 0.894 -6.472 -1.388 1.00 0.00 H ATOM 832 HB3 SER A 56 2.653 -6.521 -1.458 1.00 0.00 H ATOM 833 HG SER A 56 2.645 -8.431 -0.519 1.00 0.00 H ATOM 834 N VAL A 57 3.016 -3.747 0.807 1.00 0.00 N ATOM 835 CA VAL A 57 4.199 -2.842 0.774 1.00 0.00 C ATOM 836 C VAL A 57 4.134 -1.873 1.957 1.00 0.00 C ATOM 837 O VAL A 57 3.098 -1.690 2.565 1.00 0.00 O ATOM 838 CB VAL A 57 4.199 -2.050 -0.534 1.00 0.00 C ATOM 839 CG1 VAL A 57 4.225 -3.017 -1.718 1.00 0.00 C ATOM 840 CG2 VAL A 57 2.935 -1.190 -0.608 1.00 0.00 C ATOM 841 H VAL A 57 2.162 -3.424 1.165 1.00 0.00 H ATOM 842 HA VAL A 57 5.103 -3.430 0.839 1.00 0.00 H ATOM 843 HB VAL A 57 5.072 -1.414 -0.570 1.00 0.00 H ATOM 844 HG11 VAL A 57 5.005 -3.749 -1.568 1.00 0.00 H ATOM 845 HG12 VAL A 57 3.271 -3.518 -1.795 1.00 0.00 H ATOM 846 HG13 VAL A 57 4.417 -2.469 -2.628 1.00 0.00 H ATOM 847 HG21 VAL A 57 2.092 -1.756 -0.239 1.00 0.00 H ATOM 848 HG22 VAL A 57 3.066 -0.305 -0.004 1.00 0.00 H ATOM 849 HG23 VAL A 57 2.755 -0.903 -1.633 1.00 0.00 H ATOM 850 N LYS A 58 5.233 -1.253 2.289 1.00 0.00 N ATOM 851 CA LYS A 58 5.232 -0.297 3.432 1.00 0.00 C ATOM 852 C LYS A 58 5.732 1.068 2.955 1.00 0.00 C ATOM 853 O LYS A 58 6.456 1.171 1.986 1.00 0.00 O ATOM 854 CB LYS A 58 6.154 -0.822 4.535 1.00 0.00 C ATOM 855 CG LYS A 58 5.405 -0.819 5.869 1.00 0.00 C ATOM 856 CD LYS A 58 6.413 -0.804 7.020 1.00 0.00 C ATOM 857 CE LYS A 58 7.311 0.428 6.897 1.00 0.00 C ATOM 858 NZ LYS A 58 7.707 0.893 8.256 1.00 0.00 N ATOM 859 H LYS A 58 6.059 -1.415 1.785 1.00 0.00 H ATOM 860 HA LYS A 58 4.228 -0.198 3.818 1.00 0.00 H ATOM 861 HB2 LYS A 58 6.464 -1.828 4.296 1.00 0.00 H ATOM 862 HB3 LYS A 58 7.023 -0.185 4.612 1.00 0.00 H ATOM 863 HG2 LYS A 58 4.777 0.058 5.928 1.00 0.00 H ATOM 864 HG3 LYS A 58 4.794 -1.705 5.941 1.00 0.00 H ATOM 865 HD2 LYS A 58 5.883 -0.771 7.962 1.00 0.00 H ATOM 866 HD3 LYS A 58 7.021 -1.695 6.980 1.00 0.00 H ATOM 867 HE2 LYS A 58 8.196 0.174 6.332 1.00 0.00 H ATOM 868 HE3 LYS A 58 6.775 1.216 6.390 1.00 0.00 H ATOM 869 HZ1 LYS A 58 7.924 0.071 8.855 1.00 0.00 H ATOM 870 HZ2 LYS A 58 8.549 1.499 8.185 1.00 0.00 H ATOM 871 HZ3 LYS A 58 6.925 1.434 8.679 1.00 0.00 H ATOM 872 N LEU A 59 5.350 2.118 3.629 1.00 0.00 N ATOM 873 CA LEU A 59 5.805 3.476 3.215 1.00 0.00 C ATOM 874 C LEU A 59 7.289 3.642 3.549 1.00 0.00 C ATOM 875 O LEU A 59 7.751 3.222 4.591 1.00 0.00 O ATOM 876 CB LEU A 59 4.992 4.535 3.961 1.00 0.00 C ATOM 877 CG LEU A 59 5.340 4.492 5.450 1.00 0.00 C ATOM 878 CD1 LEU A 59 6.214 5.696 5.804 1.00 0.00 C ATOM 879 CD2 LEU A 59 4.052 4.537 6.275 1.00 0.00 C ATOM 880 H LEU A 59 4.766 2.014 4.410 1.00 0.00 H ATOM 881 HA LEU A 59 5.660 3.594 2.151 1.00 0.00 H ATOM 882 HB2 LEU A 59 5.225 5.513 3.564 1.00 0.00 H ATOM 883 HB3 LEU A 59 3.938 4.337 3.834 1.00 0.00 H ATOM 884 HG LEU A 59 5.878 3.580 5.667 1.00 0.00 H ATOM 885 HD11 LEU A 59 5.853 6.569 5.283 1.00 0.00 H ATOM 886 HD12 LEU A 59 6.173 5.869 6.870 1.00 0.00 H ATOM 887 HD13 LEU A 59 7.235 5.499 5.512 1.00 0.00 H ATOM 888 HD21 LEU A 59 3.367 5.246 5.834 1.00 0.00 H ATOM 889 HD22 LEU A 59 3.598 3.557 6.287 1.00 0.00 H ATOM 890 HD23 LEU A 59 4.283 4.840 7.285 1.00 0.00 H ATOM 891 N GLY A 60 8.039 4.252 2.673 1.00 0.00 N ATOM 892 CA GLY A 60 9.492 4.445 2.942 1.00 0.00 C ATOM 893 C GLY A 60 10.267 3.211 2.476 1.00 0.00 C ATOM 894 O GLY A 60 11.476 3.232 2.361 1.00 0.00 O ATOM 895 H GLY A 60 7.647 4.584 1.838 1.00 0.00 H ATOM 896 HA2 GLY A 60 9.844 5.316 2.408 1.00 0.00 H ATOM 897 HA3 GLY A 60 9.647 4.584 4.001 1.00 0.00 H ATOM 898 N ASP A 61 9.580 2.134 2.206 1.00 0.00 N ATOM 899 CA ASP A 61 10.279 0.901 1.748 1.00 0.00 C ATOM 900 C ASP A 61 10.541 0.992 0.244 1.00 0.00 C ATOM 901 O ASP A 61 9.786 1.596 -0.493 1.00 0.00 O ATOM 902 CB ASP A 61 9.402 -0.320 2.039 1.00 0.00 C ATOM 903 CG ASP A 61 9.653 -0.798 3.470 1.00 0.00 C ATOM 904 OD1 ASP A 61 10.503 -0.219 4.127 1.00 0.00 O ATOM 905 OD2 ASP A 61 8.993 -1.736 3.884 1.00 0.00 O ATOM 906 H ASP A 61 8.605 2.138 2.305 1.00 0.00 H ATOM 907 HA ASP A 61 11.217 0.803 2.271 1.00 0.00 H ATOM 908 HB2 ASP A 61 8.362 -0.051 1.925 1.00 0.00 H ATOM 909 HB3 ASP A 61 9.647 -1.113 1.348 1.00 0.00 H ATOM 910 N LYS A 62 11.607 0.398 -0.220 1.00 0.00 N ATOM 911 CA LYS A 62 11.917 0.452 -1.676 1.00 0.00 C ATOM 912 C LYS A 62 11.584 -0.897 -2.319 1.00 0.00 C ATOM 913 O LYS A 62 11.812 -1.942 -1.743 1.00 0.00 O ATOM 914 CB LYS A 62 13.403 0.756 -1.871 1.00 0.00 C ATOM 915 CG LYS A 62 14.239 -0.384 -1.287 1.00 0.00 C ATOM 916 CD LYS A 62 15.690 0.075 -1.126 1.00 0.00 C ATOM 917 CE LYS A 62 16.209 -0.346 0.249 1.00 0.00 C ATOM 918 NZ LYS A 62 16.635 -1.773 0.204 1.00 0.00 N ATOM 919 H LYS A 62 12.203 -0.084 0.390 1.00 0.00 H ATOM 920 HA LYS A 62 11.325 1.227 -2.141 1.00 0.00 H ATOM 921 HB2 LYS A 62 13.614 0.856 -2.926 1.00 0.00 H ATOM 922 HB3 LYS A 62 13.651 1.677 -1.365 1.00 0.00 H ATOM 923 HG2 LYS A 62 13.840 -0.666 -0.324 1.00 0.00 H ATOM 924 HG3 LYS A 62 14.205 -1.233 -1.953 1.00 0.00 H ATOM 925 HD2 LYS A 62 16.297 -0.376 -1.896 1.00 0.00 H ATOM 926 HD3 LYS A 62 15.738 1.151 -1.214 1.00 0.00 H ATOM 927 HE2 LYS A 62 17.053 0.272 0.520 1.00 0.00 H ATOM 928 HE3 LYS A 62 15.425 -0.227 0.982 1.00 0.00 H ATOM 929 HZ1 LYS A 62 15.829 -2.366 -0.077 1.00 0.00 H ATOM 930 HZ2 LYS A 62 17.402 -1.885 -0.489 1.00 0.00 H ATOM 931 HZ3 LYS A 62 16.970 -2.064 1.145 1.00 0.00 H ATOM 932 N LEU A 63 11.046 -0.882 -3.507 1.00 0.00 N ATOM 933 CA LEU A 63 10.701 -2.163 -4.184 1.00 0.00 C ATOM 934 C LEU A 63 11.265 -2.158 -5.606 1.00 0.00 C ATOM 935 O LEU A 63 11.634 -1.127 -6.133 1.00 0.00 O ATOM 936 CB LEU A 63 9.178 -2.316 -4.241 1.00 0.00 C ATOM 937 CG LEU A 63 8.582 -1.999 -2.868 1.00 0.00 C ATOM 938 CD1 LEU A 63 8.481 -0.482 -2.694 1.00 0.00 C ATOM 939 CD2 LEU A 63 7.186 -2.617 -2.765 1.00 0.00 C ATOM 940 H LEU A 63 10.870 -0.029 -3.955 1.00 0.00 H ATOM 941 HA LEU A 63 11.125 -2.989 -3.632 1.00 0.00 H ATOM 942 HB2 LEU A 63 8.775 -1.635 -4.976 1.00 0.00 H ATOM 943 HB3 LEU A 63 8.928 -3.330 -4.513 1.00 0.00 H ATOM 944 HG LEU A 63 9.218 -2.408 -2.097 1.00 0.00 H ATOM 945 HD11 LEU A 63 8.563 -0.003 -3.658 1.00 0.00 H ATOM 946 HD12 LEU A 63 7.530 -0.234 -2.247 1.00 0.00 H ATOM 947 HD13 LEU A 63 9.280 -0.139 -2.053 1.00 0.00 H ATOM 948 HD21 LEU A 63 6.977 -3.185 -3.660 1.00 0.00 H ATOM 949 HD22 LEU A 63 7.144 -3.270 -1.906 1.00 0.00 H ATOM 950 HD23 LEU A 63 6.452 -1.832 -2.657 1.00 0.00 H ATOM 951 N LYS A 64 11.335 -3.301 -6.232 1.00 0.00 N ATOM 952 CA LYS A 64 11.875 -3.359 -7.619 1.00 0.00 C ATOM 953 C LYS A 64 10.770 -3.802 -8.579 1.00 0.00 C ATOM 954 O LYS A 64 9.833 -4.473 -8.195 1.00 0.00 O ATOM 955 CB LYS A 64 13.031 -4.361 -7.673 1.00 0.00 C ATOM 956 CG LYS A 64 14.187 -3.765 -8.479 1.00 0.00 C ATOM 957 CD LYS A 64 14.140 -4.299 -9.912 1.00 0.00 C ATOM 958 CE LYS A 64 14.237 -3.131 -10.896 1.00 0.00 C ATOM 959 NZ LYS A 64 13.944 -3.618 -12.274 1.00 0.00 N ATOM 960 H LYS A 64 11.031 -4.121 -5.790 1.00 0.00 H ATOM 961 HA LYS A 64 12.233 -2.382 -7.907 1.00 0.00 H ATOM 962 HB2 LYS A 64 13.366 -4.580 -6.670 1.00 0.00 H ATOM 963 HB3 LYS A 64 12.696 -5.271 -8.149 1.00 0.00 H ATOM 964 HG2 LYS A 64 14.098 -2.687 -8.493 1.00 0.00 H ATOM 965 HG3 LYS A 64 15.125 -4.044 -8.024 1.00 0.00 H ATOM 966 HD2 LYS A 64 14.969 -4.974 -10.071 1.00 0.00 H ATOM 967 HD3 LYS A 64 13.211 -4.825 -10.070 1.00 0.00 H ATOM 968 HE2 LYS A 64 13.520 -2.371 -10.623 1.00 0.00 H ATOM 969 HE3 LYS A 64 15.232 -2.716 -10.865 1.00 0.00 H ATOM 970 HZ1 LYS A 64 13.610 -4.601 -12.231 1.00 0.00 H ATOM 971 HZ2 LYS A 64 13.209 -3.019 -12.703 1.00 0.00 H ATOM 972 HZ3 LYS A 64 14.809 -3.573 -12.849 1.00 0.00 H ATOM 973 N GLU A 65 10.871 -3.429 -9.827 1.00 0.00 N ATOM 974 CA GLU A 65 9.829 -3.825 -10.813 1.00 0.00 C ATOM 975 C GLU A 65 9.444 -5.290 -10.595 1.00 0.00 C ATOM 976 O GLU A 65 10.290 -6.156 -10.499 1.00 0.00 O ATOM 977 CB GLU A 65 10.376 -3.646 -12.231 1.00 0.00 C ATOM 978 CG GLU A 65 9.583 -2.554 -12.951 1.00 0.00 C ATOM 979 CD GLU A 65 9.348 -2.966 -14.405 1.00 0.00 C ATOM 980 OE1 GLU A 65 8.705 -3.980 -14.616 1.00 0.00 O ATOM 981 OE2 GLU A 65 9.816 -2.259 -15.283 1.00 0.00 O ATOM 982 H GLU A 65 11.633 -2.887 -10.115 1.00 0.00 H ATOM 983 HA GLU A 65 8.960 -3.200 -10.683 1.00 0.00 H ATOM 984 HB2 GLU A 65 11.418 -3.365 -12.182 1.00 0.00 H ATOM 985 HB3 GLU A 65 10.278 -4.575 -12.774 1.00 0.00 H ATOM 986 HG2 GLU A 65 8.632 -2.414 -12.457 1.00 0.00 H ATOM 987 HG3 GLU A 65 10.141 -1.629 -12.926 1.00 0.00 H ATOM 988 N GLY A 66 8.173 -5.573 -10.517 1.00 0.00 N ATOM 989 CA GLY A 66 7.736 -6.983 -10.305 1.00 0.00 C ATOM 990 C GLY A 66 7.205 -7.145 -8.880 1.00 0.00 C ATOM 991 O GLY A 66 6.589 -8.137 -8.545 1.00 0.00 O ATOM 992 H GLY A 66 7.506 -4.860 -10.597 1.00 0.00 H ATOM 993 HA2 GLY A 66 6.955 -7.226 -11.011 1.00 0.00 H ATOM 994 HA3 GLY A 66 8.574 -7.646 -10.451 1.00 0.00 H ATOM 995 N ASP A 67 7.440 -6.177 -8.036 1.00 0.00 N ATOM 996 CA ASP A 67 6.949 -6.277 -6.633 1.00 0.00 C ATOM 997 C ASP A 67 5.494 -5.807 -6.567 1.00 0.00 C ATOM 998 O ASP A 67 5.147 -4.758 -7.073 1.00 0.00 O ATOM 999 CB ASP A 67 7.812 -5.395 -5.727 1.00 0.00 C ATOM 1000 CG ASP A 67 9.163 -6.071 -5.492 1.00 0.00 C ATOM 1001 OD1 ASP A 67 9.620 -6.765 -6.386 1.00 0.00 O ATOM 1002 OD2 ASP A 67 9.720 -5.882 -4.423 1.00 0.00 O ATOM 1003 H ASP A 67 7.939 -5.385 -8.326 1.00 0.00 H ATOM 1004 HA ASP A 67 7.012 -7.303 -6.301 1.00 0.00 H ATOM 1005 HB2 ASP A 67 7.964 -4.435 -6.200 1.00 0.00 H ATOM 1006 HB3 ASP A 67 7.313 -5.254 -4.780 1.00 0.00 H ATOM 1007 N ALA A 68 4.641 -6.575 -5.947 1.00 0.00 N ATOM 1008 CA ALA A 68 3.210 -6.172 -5.850 1.00 0.00 C ATOM 1009 C ALA A 68 3.077 -4.994 -4.883 1.00 0.00 C ATOM 1010 O ALA A 68 3.812 -4.881 -3.922 1.00 0.00 O ATOM 1011 CB ALA A 68 2.382 -7.351 -5.334 1.00 0.00 C ATOM 1012 H ALA A 68 4.942 -7.417 -5.546 1.00 0.00 H ATOM 1013 HA ALA A 68 2.850 -5.880 -6.825 1.00 0.00 H ATOM 1014 HB1 ALA A 68 3.040 -8.095 -4.909 1.00 0.00 H ATOM 1015 HB2 ALA A 68 1.695 -7.005 -4.575 1.00 0.00 H ATOM 1016 HB3 ALA A 68 1.827 -7.786 -6.151 1.00 0.00 H ATOM 1017 N ILE A 69 2.144 -4.114 -5.129 1.00 0.00 N ATOM 1018 CA ILE A 69 1.966 -2.945 -4.224 1.00 0.00 C ATOM 1019 C ILE A 69 0.750 -3.177 -3.325 1.00 0.00 C ATOM 1020 O ILE A 69 0.878 -3.411 -2.139 1.00 0.00 O ATOM 1021 CB ILE A 69 1.748 -1.682 -5.059 1.00 0.00 C ATOM 1022 CG1 ILE A 69 2.825 -1.597 -6.143 1.00 0.00 C ATOM 1023 CG2 ILE A 69 1.838 -0.451 -4.156 1.00 0.00 C ATOM 1024 CD1 ILE A 69 4.188 -1.359 -5.491 1.00 0.00 C ATOM 1025 H ILE A 69 1.562 -4.223 -5.910 1.00 0.00 H ATOM 1026 HA ILE A 69 2.848 -2.824 -3.613 1.00 0.00 H ATOM 1027 HB ILE A 69 0.772 -1.719 -5.520 1.00 0.00 H ATOM 1028 HG12 ILE A 69 2.848 -2.523 -6.701 1.00 0.00 H ATOM 1029 HG13 ILE A 69 2.600 -0.780 -6.811 1.00 0.00 H ATOM 1030 HG21 ILE A 69 2.748 -0.495 -3.576 1.00 0.00 H ATOM 1031 HG22 ILE A 69 1.843 0.442 -4.764 1.00 0.00 H ATOM 1032 HG23 ILE A 69 0.988 -0.429 -3.491 1.00 0.00 H ATOM 1033 HD11 ILE A 69 4.057 -1.186 -4.434 1.00 0.00 H ATOM 1034 HD12 ILE A 69 4.815 -2.227 -5.639 1.00 0.00 H ATOM 1035 HD13 ILE A 69 4.657 -0.496 -5.942 1.00 0.00 H ATOM 1036 N ILE A 70 -0.430 -3.114 -3.879 1.00 0.00 N ATOM 1037 CA ILE A 70 -1.652 -3.332 -3.055 1.00 0.00 C ATOM 1038 C ILE A 70 -2.685 -4.114 -3.870 1.00 0.00 C ATOM 1039 O ILE A 70 -2.522 -4.325 -5.056 1.00 0.00 O ATOM 1040 CB ILE A 70 -2.242 -1.979 -2.650 1.00 0.00 C ATOM 1041 CG1 ILE A 70 -2.823 -1.287 -3.885 1.00 0.00 C ATOM 1042 CG2 ILE A 70 -1.143 -1.103 -2.046 1.00 0.00 C ATOM 1043 CD1 ILE A 70 -4.305 -0.985 -3.652 1.00 0.00 C ATOM 1044 H ILE A 70 -0.512 -2.924 -4.837 1.00 0.00 H ATOM 1045 HA ILE A 70 -1.394 -3.892 -2.168 1.00 0.00 H ATOM 1046 HB ILE A 70 -3.022 -2.131 -1.919 1.00 0.00 H ATOM 1047 HG12 ILE A 70 -2.291 -0.364 -4.065 1.00 0.00 H ATOM 1048 HG13 ILE A 70 -2.721 -1.935 -4.742 1.00 0.00 H ATOM 1049 HG21 ILE A 70 -0.324 -1.726 -1.719 1.00 0.00 H ATOM 1050 HG22 ILE A 70 -0.789 -0.406 -2.792 1.00 0.00 H ATOM 1051 HG23 ILE A 70 -1.540 -0.558 -1.203 1.00 0.00 H ATOM 1052 HD11 ILE A 70 -4.575 -1.266 -2.645 1.00 0.00 H ATOM 1053 HD12 ILE A 70 -4.483 0.070 -3.791 1.00 0.00 H ATOM 1054 HD13 ILE A 70 -4.902 -1.548 -4.355 1.00 0.00 H ATOM 1055 N GLU A 71 -3.744 -4.545 -3.244 1.00 0.00 N ATOM 1056 CA GLU A 71 -4.785 -5.314 -3.984 1.00 0.00 C ATOM 1057 C GLU A 71 -6.135 -4.608 -3.846 1.00 0.00 C ATOM 1058 O GLU A 71 -6.664 -4.465 -2.762 1.00 0.00 O ATOM 1059 CB GLU A 71 -4.887 -6.726 -3.402 1.00 0.00 C ATOM 1060 CG GLU A 71 -3.486 -7.327 -3.270 1.00 0.00 C ATOM 1061 CD GLU A 71 -3.113 -7.435 -1.790 1.00 0.00 C ATOM 1062 OE1 GLU A 71 -3.043 -6.404 -1.140 1.00 0.00 O ATOM 1063 OE2 GLU A 71 -2.905 -8.546 -1.332 1.00 0.00 O ATOM 1064 H GLU A 71 -3.856 -4.364 -2.287 1.00 0.00 H ATOM 1065 HA GLU A 71 -4.515 -5.374 -5.028 1.00 0.00 H ATOM 1066 HB2 GLU A 71 -5.353 -6.681 -2.428 1.00 0.00 H ATOM 1067 HB3 GLU A 71 -5.481 -7.344 -4.058 1.00 0.00 H ATOM 1068 HG2 GLU A 71 -3.472 -8.309 -3.719 1.00 0.00 H ATOM 1069 HG3 GLU A 71 -2.773 -6.690 -3.773 1.00 0.00 H ATOM 1070 N LEU A 72 -6.696 -4.163 -4.937 1.00 0.00 N ATOM 1071 CA LEU A 72 -8.012 -3.465 -4.867 1.00 0.00 C ATOM 1072 C LEU A 72 -9.139 -4.489 -5.009 1.00 0.00 C ATOM 1073 O LEU A 72 -9.043 -5.432 -5.769 1.00 0.00 O ATOM 1074 CB LEU A 72 -8.107 -2.441 -6.000 1.00 0.00 C ATOM 1075 CG LEU A 72 -9.540 -1.917 -6.095 1.00 0.00 C ATOM 1076 CD1 LEU A 72 -9.541 -0.397 -5.924 1.00 0.00 C ATOM 1077 CD2 LEU A 72 -10.122 -2.275 -7.465 1.00 0.00 C ATOM 1078 H LEU A 72 -6.253 -4.288 -5.802 1.00 0.00 H ATOM 1079 HA LEU A 72 -8.101 -2.960 -3.917 1.00 0.00 H ATOM 1080 HB2 LEU A 72 -7.435 -1.619 -5.799 1.00 0.00 H ATOM 1081 HB3 LEU A 72 -7.833 -2.909 -6.933 1.00 0.00 H ATOM 1082 HG LEU A 72 -10.140 -2.367 -5.318 1.00 0.00 H ATOM 1083 HD11 LEU A 72 -8.524 -0.033 -5.942 1.00 0.00 H ATOM 1084 HD12 LEU A 72 -10.098 0.056 -6.730 1.00 0.00 H ATOM 1085 HD13 LEU A 72 -9.998 -0.141 -4.981 1.00 0.00 H ATOM 1086 HD21 LEU A 72 -9.368 -2.768 -8.059 1.00 0.00 H ATOM 1087 HD22 LEU A 72 -10.967 -2.936 -7.335 1.00 0.00 H ATOM 1088 HD23 LEU A 72 -10.443 -1.374 -7.966 1.00 0.00 H ATOM 1089 N GLU A 73 -10.210 -4.310 -4.285 1.00 0.00 N ATOM 1090 CA GLU A 73 -11.343 -5.273 -4.379 1.00 0.00 C ATOM 1091 C GLU A 73 -12.575 -4.559 -4.943 1.00 0.00 C ATOM 1092 O GLU A 73 -13.350 -3.988 -4.203 1.00 0.00 O ATOM 1093 CB GLU A 73 -11.664 -5.821 -2.987 1.00 0.00 C ATOM 1094 CG GLU A 73 -11.990 -7.313 -3.087 1.00 0.00 C ATOM 1095 CD GLU A 73 -12.951 -7.702 -1.962 1.00 0.00 C ATOM 1096 OE1 GLU A 73 -13.397 -6.812 -1.256 1.00 0.00 O ATOM 1097 OE2 GLU A 73 -13.226 -8.883 -1.826 1.00 0.00 O ATOM 1098 H GLU A 73 -10.269 -3.544 -3.678 1.00 0.00 H ATOM 1099 HA GLU A 73 -11.069 -6.090 -5.032 1.00 0.00 H ATOM 1100 HB2 GLU A 73 -10.810 -5.680 -2.339 1.00 0.00 H ATOM 1101 HB3 GLU A 73 -12.515 -5.295 -2.580 1.00 0.00 H ATOM 1102 HG2 GLU A 73 -12.450 -7.517 -4.042 1.00 0.00 H ATOM 1103 HG3 GLU A 73 -11.080 -7.887 -2.994 1.00 0.00 H ATOM 1104 N PRO A 74 -12.715 -4.615 -6.243 1.00 0.00 N ATOM 1105 CA PRO A 74 -13.843 -3.981 -6.948 1.00 0.00 C ATOM 1106 C PRO A 74 -15.106 -4.837 -6.813 1.00 0.00 C ATOM 1107 O PRO A 74 -16.142 -4.525 -7.363 1.00 0.00 O ATOM 1108 CB PRO A 74 -13.372 -3.929 -8.404 1.00 0.00 C ATOM 1109 CG PRO A 74 -12.283 -5.019 -8.550 1.00 0.00 C ATOM 1110 CD PRO A 74 -11.762 -5.314 -7.130 1.00 0.00 C ATOM 1111 HA PRO A 74 -14.014 -2.984 -6.579 1.00 0.00 H ATOM 1112 HB2 PRO A 74 -14.200 -4.135 -9.068 1.00 0.00 H ATOM 1113 HB3 PRO A 74 -12.950 -2.962 -8.624 1.00 0.00 H ATOM 1114 HG2 PRO A 74 -12.711 -5.912 -8.984 1.00 0.00 H ATOM 1115 HG3 PRO A 74 -11.475 -4.656 -9.166 1.00 0.00 H ATOM 1116 HD2 PRO A 74 -11.773 -6.378 -6.938 1.00 0.00 H ATOM 1117 HD3 PRO A 74 -10.769 -4.913 -6.999 1.00 0.00 H ATOM 1118 N ALA A 75 -15.026 -5.916 -6.082 1.00 0.00 N ATOM 1119 CA ALA A 75 -16.221 -6.790 -5.912 1.00 0.00 C ATOM 1120 C ALA A 75 -16.523 -7.504 -7.232 1.00 0.00 C ATOM 1121 O ALA A 75 -15.734 -7.481 -8.155 1.00 0.00 O ATOM 1122 CB ALA A 75 -17.424 -5.936 -5.508 1.00 0.00 C ATOM 1123 H ALA A 75 -14.182 -6.151 -5.646 1.00 0.00 H ATOM 1124 HA ALA A 75 -16.025 -7.522 -5.143 1.00 0.00 H ATOM 1125 HB1 ALA A 75 -17.084 -5.071 -4.958 1.00 0.00 H ATOM 1126 HB2 ALA A 75 -17.952 -5.615 -6.394 1.00 0.00 H ATOM 1127 HB3 ALA A 75 -18.087 -6.519 -4.886 1.00 0.00 H ATOM 1128 N ALA A 76 -17.660 -8.138 -7.326 1.00 0.00 N ATOM 1129 CA ALA A 76 -18.011 -8.853 -8.586 1.00 0.00 C ATOM 1130 C ALA A 76 -18.391 -7.834 -9.662 1.00 0.00 C ATOM 1131 O ALA A 76 -17.906 -7.882 -10.774 1.00 0.00 O ATOM 1132 CB ALA A 76 -19.194 -9.789 -8.329 1.00 0.00 C ATOM 1133 H ALA A 76 -18.282 -8.145 -6.570 1.00 0.00 H ATOM 1134 HA ALA A 76 -17.162 -9.430 -8.921 1.00 0.00 H ATOM 1135 HB1 ALA A 76 -19.475 -9.736 -7.288 1.00 0.00 H ATOM 1136 HB2 ALA A 76 -20.030 -9.489 -8.943 1.00 0.00 H ATOM 1137 HB3 ALA A 76 -18.912 -10.802 -8.575 1.00 0.00 H ATOM 1138 N GLY A 77 -19.256 -6.912 -9.339 1.00 0.00 N ATOM 1139 CA GLY A 77 -19.666 -5.890 -10.344 1.00 0.00 C ATOM 1140 C GLY A 77 -19.939 -4.561 -9.639 1.00 0.00 C ATOM 1141 O GLY A 77 -19.981 -4.486 -8.427 1.00 0.00 O ATOM 1142 H GLY A 77 -19.635 -6.890 -8.436 1.00 0.00 H ATOM 1143 HA2 GLY A 77 -18.874 -5.760 -11.068 1.00 0.00 H ATOM 1144 HA3 GLY A 77 -20.563 -6.218 -10.846 1.00 0.00 H ATOM 1145 N ALA A 78 -20.126 -3.509 -10.389 1.00 0.00 N ATOM 1146 CA ALA A 78 -20.397 -2.185 -9.760 1.00 0.00 C ATOM 1147 C ALA A 78 -21.437 -1.429 -10.591 1.00 0.00 C ATOM 1148 O ALA A 78 -21.481 -1.542 -11.800 1.00 0.00 O ATOM 1149 CB ALA A 78 -19.102 -1.373 -9.705 1.00 0.00 C ATOM 1150 H ALA A 78 -20.089 -3.589 -11.365 1.00 0.00 H ATOM 1151 HA ALA A 78 -20.773 -2.332 -8.759 1.00 0.00 H ATOM 1152 HB1 ALA A 78 -18.529 -1.548 -10.603 1.00 0.00 H ATOM 1153 HB2 ALA A 78 -19.339 -0.322 -9.628 1.00 0.00 H ATOM 1154 HB3 ALA A 78 -18.524 -1.675 -8.844 1.00 0.00 H ATOM 1155 N ARG A 79 -22.275 -0.661 -9.952 1.00 0.00 N ATOM 1156 CA ARG A 79 -23.311 0.101 -10.705 1.00 0.00 C ATOM 1157 C ARG A 79 -24.086 -0.854 -11.614 1.00 0.00 C ATOM 1158 O ARG A 79 -24.128 -0.602 -12.806 1.00 0.00 O ATOM 1159 CB ARG A 79 -22.635 1.179 -11.555 1.00 0.00 C ATOM 1160 CG ARG A 79 -23.450 2.471 -11.486 1.00 0.00 C ATOM 1161 CD ARG A 79 -23.486 2.976 -10.042 1.00 0.00 C ATOM 1162 NE ARG A 79 -24.898 3.021 -9.567 1.00 0.00 N ATOM 1163 CZ ARG A 79 -25.155 3.070 -8.288 1.00 0.00 C ATOM 1164 NH1 ARG A 79 -24.492 2.308 -7.460 1.00 0.00 N ATOM 1165 NH2 ARG A 79 -26.072 3.880 -7.837 1.00 0.00 N ATOM 1166 H ARG A 79 -22.223 -0.583 -8.976 1.00 0.00 H ATOM 1167 HA ARG A 79 -23.992 0.568 -10.008 1.00 0.00 H ATOM 1168 HB2 ARG A 79 -21.638 1.361 -11.179 1.00 0.00 H ATOM 1169 HB3 ARG A 79 -22.578 0.846 -12.580 1.00 0.00 H ATOM 1170 HG2 ARG A 79 -22.994 3.219 -12.118 1.00 0.00 H ATOM 1171 HG3 ARG A 79 -24.458 2.280 -11.823 1.00 0.00 H ATOM 1172 HD2 ARG A 79 -22.916 2.308 -9.413 1.00 0.00 H ATOM 1173 HD3 ARG A 79 -23.059 3.967 -9.997 1.00 0.00 H ATOM 1174 HE ARG A 79 -25.633 3.015 -10.214 1.00 0.00 H ATOM 1175 HH11 ARG A 79 -23.789 1.688 -7.807 1.00 0.00 H ATOM 1176 HH12 ARG A 79 -24.689 2.346 -6.481 1.00 0.00 H ATOM 1177 HH21 ARG A 79 -26.579 4.464 -8.472 1.00 0.00 H ATOM 1178 HH22 ARG A 79 -26.270 3.917 -6.858 1.00 0.00 H TER 1179 ARG A 79