HEADER TRANSFERASE 26-MAR-98 1RRB TITLE THE RAS-BINDING DOMAIN OF RAF-1 FROM RAT, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN COMPND 3 KINASE; COMPND 4 CHAIN: NULL; COMPND 5 FRAGMENT: RAS-BINDING DOMAIN, RESIDUES 56-131; COMPND 6 SYNONYM: RAF-1 RBD; COMPND 7 EC: 2.7.1.-; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: RAT; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 6 EXPRESSION_SYSTEM_PLASMID: PET-RID KEYWDS RAF-1, RAS-BINDING DOMAIN, TRANSFERASE, KEYWDS 2 SERINE/THREONINE-PROTEIN KINASE EXPDTA NMR, 1 STRUCTURE AUTHOR T.TERADA,Y.ITO,M.SHIROUZU,M.TATENO,K.HASHIMOTO,T.KIGAWA, AUTHOR 2 T.EBISUZAKI,K.TAKIO,T.SHIBATA,S.YOKOYAMA,B.O.SMITH, AUTHOR 3 E.D.LAUE,J.A.COOPER REVDAT 1 30-MAR-99 1RRB 0 JRNL AUTH T.TERADA,Y.ITO,M.SHIROUZU,M.TATENO,K.HASHIMOTO, JRNL AUTH 2 T.KIGAWA,T.EBISUZAKI,K.TAKIO,T.SHIBATA,S.YOKOYAMA, JRNL AUTH 3 B.O.SMITH,E.D.LAUE,J.A.COOPER JRNL TITL NUCLEAR MAGNETIC RESONANCE AND MOLECULAR DYNAMICS JRNL TITL 2 STUDIES ON THE INTERACTIONS OF THE RAS-BINDING JRNL TITL 3 DOMAIN OF RAF-1 WITH WILD-TYPE AND MUTANT RAS JRNL TITL 4 PROTEINS JRNL REF J.MOL.BIOL. V. 286 219 1999 JRNL REFN ASTM JMOBAK UK ISSN 0022-2836 0070 REMARK 1 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: SIMULATED ANNEALING REFINEMENT REMARK 3 FOR NMR STRUCTURE DETERMINATION REMARK 4 REMARK 4 1RRB COMPLIES WITH FORMAT V. 2.3, 09-JULY-1998 REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 303 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 5 MM MGCL2 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 20 MM SODIUM PHOSPHATE REMARK 210 BUFFER (PH 6.5) REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 1H-1H NOESY, 1H-15N HSQC, REMARK 210 3D 15N-EDITED NOESY, 3D 15N-EDITED TOCSY, HMQC-J, 3D REMARK 210 HNCA, 3D HCCH-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 2.3, AZARA 1.0, REMARK 210 X-PLOR 3.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : CLOSEST TO THE AVERAGE OF REMARK 210 20 LEAST ENERGY STRUCTURES REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE REMARK 210 NMR SPECTROSCOPY ON 13C/15N-LABELED RAF-1 RBD 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 650 REMARK 650 HELIX REMARK 650 DETERMINATION METHOD: AUTHOR-DETERMINED REMARK 700 REMARK 700 SHEET REMARK 700 DETERMINATION METHOD: AUTHOR-DETERMINED REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE MATERIAL OF THE PRESENT STUDY IS A FRAGMENT CONSISTING REMARK 999 OF RESIDUES 51-131 OF THE RAT RAF-1 WITH 13 AND 13 VECTOR- REMARK 999 DERIVED RESIDUES AT THE N- AND C-TERMINI, RESPECTIVELY. REMARK 999 RESIDUES 51-55 OF THE RAT RAF-1 AND THE VECTOR-DERIVED REMARK 999 RESIDUES ARE UNSTRUCTURED, AND ARE THEREFORE NOT IN THE REMARK 999 ATOM LIST. REMARK 999 1RRB SWS P11345 1 - 55 NOT IN ATOMS LIST REMARK 999 1RRB SWS P11345 132 - 648 NOT IN ATOMS LIST DBREF 1RRB 56 131 SWS P11345 KRAF_RAT 56 131 SEQRES 1 107 ALA SER MET THR GLY GLY GLN GLN MET GLY ARG GLY SER SEQRES 2 107 SER SER LYS THR SER ASN THR ILE ARG VAL PHE LEU PRO SEQRES 3 107 ASN LYS GLN ARG THR VAL VAL ASN VAL ARG ASN GLY MET SEQRES 4 107 SER LEU HIS ASP CYS LEU MET LYS ALA LEU LYS VAL ARG SEQRES 5 107 GLY LEU GLN PRO GLU CYS CYS ALA VAL PHE ARG LEU LEU SEQRES 6 107 GLN GLU HIS LYS GLY LYS LYS ALA ARG LEU ASP TRP ASN SEQRES 7 107 THR ASP ALA ALA SER LEU ILE GLY GLU GLU LEU GLN VAL SEQRES 8 107 ASP PHE LEU LYS LEU ALA ALA ALA LEU GLU HIS HIS HIS SEQRES 9 107 HIS HIS HIS HELIX 1 H1 LEU 78 ARG 89 1 12 HELIX 2 H2 ALA 118 LEU 121 1 4 SHEET 1 S 5 GLN 66 ASN 71 0 SHEET 2 S 5 THR 57 LEU 62 -1 N LEU 62 O GLN 66 SHEET 3 S 5 GLU 125 ASP 129 1 N LEU 126 O ARG 59 SHEET 4 S 5 CYS 96 LEU 101 -1 N PHE 99 O GLN 127 SHEET 5 S 5 LYS 109 LEU 112 -1 N ALA 110 O ARG 100 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 ATOM 1 N ASN 56 55.029 12.248 -8.614 1.00 0.00 N ATOM 2 CA ASN 56 54.874 11.959 -7.159 1.00 0.00 C ATOM 3 C ASN 56 55.001 10.455 -6.902 1.00 0.00 C ATOM 4 O ASN 56 54.015 9.760 -6.738 1.00 0.00 O ATOM 5 CB ASN 56 53.468 12.448 -6.806 1.00 0.00 C ATOM 6 CG ASN 56 53.385 12.725 -5.304 1.00 0.00 C ATOM 7 OD1 ASN 56 53.657 13.823 -4.860 1.00 0.00 O ATOM 8 ND2 ASN 56 53.018 11.768 -4.496 1.00 0.00 N ATOM 9 1H ASN 56 55.917 11.831 -8.958 1.00 0.00 H ATOM 10 2H ASN 56 54.230 11.837 -9.137 1.00 0.00 H ATOM 11 3H ASN 56 55.048 13.278 -8.762 1.00 0.00 H ATOM 12 HA ASN 56 55.608 12.504 -6.586 1.00 0.00 H ATOM 13 1HB ASN 56 53.256 13.356 -7.353 1.00 0.00 H ATOM 14 2HB ASN 56 52.747 11.690 -7.071 1.00 0.00 H ATOM 15 1HD2 ASN 56 52.962 11.935 -3.532 1.00 0.00 H ATOM 16 2HD2 ASN 56 52.799 10.882 -4.853 1.00 0.00 H ATOM 17 N THR 57 56.208 9.951 -6.867 1.00 0.00 N ATOM 18 CA THR 57 56.411 8.489 -6.622 1.00 0.00 C ATOM 19 C THR 57 57.650 8.263 -5.754 1.00 0.00 C ATOM 20 O THR 57 58.555 9.075 -5.725 1.00 0.00 O ATOM 21 CB THR 57 56.616 7.865 -8.008 1.00 0.00 C ATOM 22 OG1 THR 57 57.343 8.764 -8.840 1.00 0.00 O ATOM 23 CG2 THR 57 55.258 7.554 -8.645 1.00 0.00 C ATOM 24 H THR 57 56.984 10.534 -7.002 1.00 0.00 H ATOM 25 HA THR 57 55.540 8.063 -6.152 1.00 0.00 H ATOM 26 HB THR 57 57.174 6.947 -7.905 1.00 0.00 H ATOM 27 HG1 THR 57 56.757 9.482 -9.091 1.00 0.00 H ATOM 28 1HG2 THR 57 54.470 8.018 -8.071 1.00 0.00 H ATOM 29 2HG2 THR 57 55.239 7.935 -9.655 1.00 0.00 H ATOM 30 3HG2 THR 57 55.108 6.485 -8.662 1.00 0.00 H ATOM 31 N ILE 58 57.702 7.155 -5.060 1.00 0.00 N ATOM 32 CA ILE 58 58.890 6.862 -4.202 1.00 0.00 C ATOM 33 C ILE 58 59.763 5.802 -4.884 1.00 0.00 C ATOM 34 O ILE 58 59.265 4.955 -5.601 1.00 0.00 O ATOM 35 CB ILE 58 58.323 6.363 -2.862 1.00 0.00 C ATOM 36 CG1 ILE 58 59.459 6.260 -1.842 1.00 0.00 C ATOM 37 CG2 ILE 58 57.670 4.990 -3.025 1.00 0.00 C ATOM 38 CD1 ILE 58 59.757 7.645 -1.271 1.00 0.00 C ATOM 39 H ILE 58 56.965 6.510 -5.116 1.00 0.00 H ATOM 40 HA ILE 58 59.461 7.763 -4.042 1.00 0.00 H ATOM 41 HB ILE 58 57.584 7.066 -2.504 1.00 0.00 H ATOM 42 1HG1 ILE 58 59.166 5.594 -1.043 1.00 0.00 H ATOM 43 2HG1 ILE 58 60.343 5.874 -2.326 1.00 0.00 H ATOM 44 1HG2 ILE 58 57.296 4.887 -4.031 1.00 0.00 H ATOM 45 2HG2 ILE 58 58.406 4.223 -2.834 1.00 0.00 H ATOM 46 3HG2 ILE 58 56.855 4.895 -2.322 1.00 0.00 H ATOM 47 1HD1 ILE 58 58.842 8.087 -0.906 1.00 0.00 H ATOM 48 2HD1 ILE 58 60.463 7.555 -0.458 1.00 0.00 H ATOM 49 3HD1 ILE 58 60.176 8.271 -2.044 1.00 0.00 H ATOM 50 N ARG 59 61.053 5.851 -4.679 1.00 0.00 N ATOM 51 CA ARG 59 61.952 4.853 -5.338 1.00 0.00 C ATOM 52 C ARG 59 62.448 3.810 -4.334 1.00 0.00 C ATOM 53 O ARG 59 63.437 4.009 -3.655 1.00 0.00 O ATOM 54 CB ARG 59 63.125 5.669 -5.889 1.00 0.00 C ATOM 55 CG ARG 59 62.610 6.696 -6.899 1.00 0.00 C ATOM 56 CD ARG 59 63.651 7.801 -7.091 1.00 0.00 C ATOM 57 NE ARG 59 63.171 8.590 -8.269 1.00 0.00 N ATOM 58 CZ ARG 59 63.982 9.383 -8.942 1.00 0.00 C ATOM 59 NH1 ARG 59 65.246 9.518 -8.609 1.00 0.00 N ATOM 60 NH2 ARG 59 63.518 10.052 -9.962 1.00 0.00 N ATOM 61 H ARG 59 61.429 6.548 -4.102 1.00 0.00 H ATOM 62 HA ARG 59 61.435 4.369 -6.151 1.00 0.00 H ATOM 63 1HB ARG 59 63.620 6.179 -5.079 1.00 0.00 H ATOM 64 2HB ARG 59 63.822 5.007 -6.379 1.00 0.00 H ATOM 65 1HG ARG 59 62.429 6.207 -7.843 1.00 0.00 H ATOM 66 2HG ARG 59 61.692 7.131 -6.535 1.00 0.00 H ATOM 67 1HD ARG 59 63.699 8.428 -6.211 1.00 0.00 H ATOM 68 2HD ARG 59 64.618 7.373 -7.303 1.00 0.00 H ATOM 69 HE ARG 59 62.234 8.517 -8.547 1.00 0.00 H ATOM 70 1HH1 ARG 59 65.622 9.017 -7.831 1.00 0.00 H ATOM 71 2HH1 ARG 59 65.836 10.128 -9.139 1.00 0.00 H ATOM 72 1HH2 ARG 59 62.558 9.959 -10.225 1.00 0.00 H ATOM 73 2HH2 ARG 59 64.122 10.657 -10.480 1.00 0.00 H ATOM 74 N VAL 60 61.775 2.690 -4.255 1.00 0.00 N ATOM 75 CA VAL 60 62.206 1.612 -3.314 1.00 0.00 C ATOM 76 C VAL 60 63.111 0.624 -4.059 1.00 0.00 C ATOM 77 O VAL 60 62.673 -0.068 -4.958 1.00 0.00 O ATOM 78 CB VAL 60 60.910 0.927 -2.867 1.00 0.00 C ATOM 79 CG1 VAL 60 61.237 -0.204 -1.887 1.00 0.00 C ATOM 80 CG2 VAL 60 60.000 1.949 -2.177 1.00 0.00 C ATOM 81 H VAL 60 60.990 2.553 -4.825 1.00 0.00 H ATOM 82 HA VAL 60 62.719 2.032 -2.464 1.00 0.00 H ATOM 83 HB VAL 60 60.404 0.518 -3.730 1.00 0.00 H ATOM 84 1HG1 VAL 60 62.181 0.000 -1.405 1.00 0.00 H ATOM 85 2HG1 VAL 60 60.459 -0.272 -1.140 1.00 0.00 H ATOM 86 3HG1 VAL 60 61.302 -1.138 -2.425 1.00 0.00 H ATOM 87 1HG2 VAL 60 60.600 2.752 -1.775 1.00 0.00 H ATOM 88 2HG2 VAL 60 59.299 2.350 -2.895 1.00 0.00 H ATOM 89 3HG2 VAL 60 59.458 1.468 -1.376 1.00 0.00 H ATOM 90 N PHE 61 64.369 0.566 -3.702 1.00 0.00 N ATOM 91 CA PHE 61 65.306 -0.366 -4.401 1.00 0.00 C ATOM 92 C PHE 61 65.084 -1.806 -3.934 1.00 0.00 C ATOM 93 O PHE 61 65.093 -2.097 -2.750 1.00 0.00 O ATOM 94 CB PHE 61 66.712 0.101 -4.021 1.00 0.00 C ATOM 95 CG PHE 61 67.128 1.261 -4.896 1.00 0.00 C ATOM 96 CD1 PHE 61 66.362 2.434 -4.928 1.00 0.00 C ATOM 97 CD2 PHE 61 68.288 1.162 -5.673 1.00 0.00 C ATOM 98 CE1 PHE 61 66.758 3.506 -5.737 1.00 0.00 C ATOM 99 CE2 PHE 61 68.684 2.235 -6.481 1.00 0.00 C ATOM 100 CZ PHE 61 67.919 3.406 -6.513 1.00 0.00 C ATOM 101 H PHE 61 64.700 1.142 -2.981 1.00 0.00 H ATOM 102 HA PHE 61 65.172 -0.294 -5.468 1.00 0.00 H ATOM 103 1HB PHE 61 66.722 0.410 -2.986 1.00 0.00 H ATOM 104 2HB PHE 61 67.407 -0.716 -4.160 1.00 0.00 H ATOM 105 HD1 PHE 61 65.467 2.513 -4.331 1.00 0.00 H ATOM 106 HD2 PHE 61 68.878 0.258 -5.650 1.00 0.00 H ATOM 107 HE1 PHE 61 66.168 4.410 -5.762 1.00 0.00 H ATOM 108 HE2 PHE 61 69.580 2.158 -7.080 1.00 0.00 H ATOM 109 HZ PHE 61 68.226 4.233 -7.135 1.00 0.00 H ATOM 110 N LEU 62 64.898 -2.706 -4.864 1.00 0.00 N ATOM 111 CA LEU 62 64.686 -4.144 -4.501 1.00 0.00 C ATOM 112 C LEU 62 65.914 -4.671 -3.740 1.00 0.00 C ATOM 113 O LEU 62 66.858 -3.933 -3.532 1.00 0.00 O ATOM 114 CB LEU 62 64.521 -4.874 -5.845 1.00 0.00 C ATOM 115 CG LEU 62 63.095 -5.416 -5.969 1.00 0.00 C ATOM 116 CD1 LEU 62 62.124 -4.253 -6.177 1.00 0.00 C ATOM 117 CD2 LEU 62 63.014 -6.367 -7.165 1.00 0.00 C ATOM 118 H LEU 62 64.909 -2.433 -5.806 1.00 0.00 H ATOM 119 HA LEU 62 63.795 -4.255 -3.903 1.00 0.00 H ATOM 120 1HB LEU 62 64.714 -4.189 -6.657 1.00 0.00 H ATOM 121 2HB LEU 62 65.220 -5.695 -5.898 1.00 0.00 H ATOM 122 HG LEU 62 62.832 -5.947 -5.065 1.00 0.00 H ATOM 123 1HD1 LEU 62 62.638 -3.438 -6.665 1.00 0.00 H ATOM 124 2HD1 LEU 62 61.299 -4.578 -6.793 1.00 0.00 H ATOM 125 3HD1 LEU 62 61.749 -3.920 -5.220 1.00 0.00 H ATOM 126 1HD2 LEU 62 63.677 -6.022 -7.945 1.00 0.00 H ATOM 127 2HD2 LEU 62 63.307 -7.359 -6.856 1.00 0.00 H ATOM 128 3HD2 LEU 62 62.001 -6.391 -7.538 1.00 0.00 H ATOM 129 N PRO 63 65.881 -5.928 -3.342 1.00 0.00 N ATOM 130 CA PRO 63 67.035 -6.502 -2.603 1.00 0.00 C ATOM 131 C PRO 63 68.258 -6.589 -3.517 1.00 0.00 C ATOM 132 O PRO 63 68.214 -6.171 -4.656 1.00 0.00 O ATOM 133 CB PRO 63 66.545 -7.886 -2.180 1.00 0.00 C ATOM 134 CG PRO 63 65.470 -8.224 -3.158 1.00 0.00 C ATOM 135 CD PRO 63 64.809 -6.924 -3.530 1.00 0.00 C ATOM 136 HA PRO 63 67.257 -5.909 -1.732 1.00 0.00 H ATOM 137 1HB PRO 63 67.353 -8.603 -2.239 1.00 0.00 H ATOM 138 2HB PRO 63 66.140 -7.854 -1.181 1.00 0.00 H ATOM 139 1HG PRO 63 65.901 -8.690 -4.034 1.00 0.00 H ATOM 140 2HG PRO 63 64.747 -8.883 -2.703 1.00 0.00 H ATOM 141 1HD PRO 63 64.481 -6.955 -4.558 1.00 0.00 H ATOM 142 2HD PRO 63 63.983 -6.712 -2.870 1.00 0.00 H ATOM 143 N ASN 64 69.350 -7.118 -3.018 1.00 0.00 N ATOM 144 CA ASN 64 70.602 -7.230 -3.838 1.00 0.00 C ATOM 145 C ASN 64 71.039 -5.840 -4.338 1.00 0.00 C ATOM 146 O ASN 64 71.849 -5.184 -3.709 1.00 0.00 O ATOM 147 CB ASN 64 70.263 -8.179 -5.002 1.00 0.00 C ATOM 148 CG ASN 64 71.479 -8.325 -5.922 1.00 0.00 C ATOM 149 OD1 ASN 64 72.601 -8.384 -5.460 1.00 0.00 O ATOM 150 ND2 ASN 64 71.301 -8.386 -7.213 1.00 0.00 N ATOM 151 H ASN 64 69.351 -7.437 -2.091 1.00 0.00 H ATOM 152 HA ASN 64 71.389 -7.663 -3.239 1.00 0.00 H ATOM 153 1HB ASN 64 69.997 -9.148 -4.605 1.00 0.00 H ATOM 154 2HB ASN 64 69.433 -7.786 -5.565 1.00 0.00 H ATOM 155 1HD2 ASN 64 72.072 -8.480 -7.810 1.00 0.00 H ATOM 156 2HD2 ASN 64 70.396 -8.339 -7.586 1.00 0.00 H ATOM 157 N LYS 65 70.513 -5.381 -5.451 1.00 0.00 N ATOM 158 CA LYS 65 70.904 -4.033 -5.972 1.00 0.00 C ATOM 159 C LYS 65 69.991 -3.631 -7.137 1.00 0.00 C ATOM 160 O LYS 65 70.379 -3.692 -8.289 1.00 0.00 O ATOM 161 CB LYS 65 72.355 -4.185 -6.448 1.00 0.00 C ATOM 162 CG LYS 65 72.455 -5.296 -7.508 1.00 0.00 C ATOM 163 CD LYS 65 72.869 -4.696 -8.855 1.00 0.00 C ATOM 164 CE LYS 65 74.390 -4.777 -9.003 1.00 0.00 C ATOM 165 NZ LYS 65 74.658 -4.411 -10.422 1.00 0.00 N ATOM 166 H LYS 65 69.860 -5.918 -5.941 1.00 0.00 H ATOM 167 HA LYS 65 70.851 -3.298 -5.185 1.00 0.00 H ATOM 168 1HB LYS 65 72.691 -3.248 -6.870 1.00 0.00 H ATOM 169 2HB LYS 65 72.981 -4.440 -5.606 1.00 0.00 H ATOM 170 1HG LYS 65 73.192 -6.021 -7.196 1.00 0.00 H ATOM 171 2HG LYS 65 71.496 -5.783 -7.614 1.00 0.00 H ATOM 172 1HD LYS 65 72.399 -5.249 -9.655 1.00 0.00 H ATOM 173 2HD LYS 65 72.559 -3.663 -8.900 1.00 0.00 H ATOM 174 1HE LYS 65 74.870 -4.075 -8.335 1.00 0.00 H ATOM 175 2HE LYS 65 74.735 -5.780 -8.809 1.00 0.00 H ATOM 176 1HZ LYS 65 74.207 -3.498 -10.635 1.00 0.00 H ATOM 177 2HZ LYS 65 75.683 -4.337 -10.575 1.00 0.00 H ATOM 178 3HZ LYS 65 74.269 -5.144 -11.049 1.00 0.00 H ATOM 179 N GLN 66 68.779 -3.225 -6.844 1.00 0.00 N ATOM 180 CA GLN 66 67.839 -2.825 -7.932 1.00 0.00 C ATOM 181 C GLN 66 67.160 -1.492 -7.604 1.00 0.00 C ATOM 182 O GLN 66 66.980 -1.143 -6.453 1.00 0.00 O ATOM 183 CB GLN 66 66.808 -3.951 -7.990 1.00 0.00 C ATOM 184 CG GLN 66 67.203 -4.953 -9.076 1.00 0.00 C ATOM 185 CD GLN 66 66.673 -4.476 -10.429 1.00 0.00 C ATOM 186 OE1 GLN 66 67.398 -3.886 -11.205 1.00 0.00 O ATOM 187 NE2 GLN 66 65.429 -4.709 -10.748 1.00 0.00 N ATOM 188 H GLN 66 68.488 -3.188 -5.910 1.00 0.00 H ATOM 189 HA GLN 66 68.361 -2.756 -8.870 1.00 0.00 H ATOM 190 1HB GLN 66 66.770 -4.452 -7.033 1.00 0.00 H ATOM 191 2HB GLN 66 65.838 -3.539 -8.218 1.00 0.00 H ATOM 192 1HG GLN 66 68.280 -5.031 -9.117 1.00 0.00 H ATOM 193 2HG GLN 66 66.780 -5.919 -8.846 1.00 0.00 H ATOM 194 1HE2 GLN 66 65.080 -4.408 -11.613 1.00 0.00 H ATOM 195 2HE2 GLN 66 64.844 -5.185 -10.122 1.00 0.00 H ATOM 196 N ARG 67 66.783 -0.750 -8.616 1.00 0.00 N ATOM 197 CA ARG 67 66.112 0.566 -8.389 1.00 0.00 C ATOM 198 C ARG 67 64.672 0.516 -8.914 1.00 0.00 C ATOM 199 O ARG 67 64.438 0.537 -10.108 1.00 0.00 O ATOM 200 CB ARG 67 66.949 1.572 -9.189 1.00 0.00 C ATOM 201 CG ARG 67 66.322 2.969 -9.097 1.00 0.00 C ATOM 202 CD ARG 67 67.354 4.031 -9.495 1.00 0.00 C ATOM 203 NE ARG 67 66.935 4.494 -10.856 1.00 0.00 N ATOM 204 CZ ARG 67 67.304 3.859 -11.952 1.00 0.00 C ATOM 205 NH1 ARG 67 68.060 2.786 -11.912 1.00 0.00 N ATOM 206 NH2 ARG 67 66.905 4.310 -13.110 1.00 0.00 N ATOM 207 H ARG 67 66.942 -1.062 -9.531 1.00 0.00 H ATOM 208 HA ARG 67 66.126 0.822 -7.342 1.00 0.00 H ATOM 209 1HB ARG 67 67.952 1.602 -8.790 1.00 0.00 H ATOM 210 2HB ARG 67 66.984 1.264 -10.223 1.00 0.00 H ATOM 211 1HG ARG 67 65.473 3.025 -9.763 1.00 0.00 H ATOM 212 2HG ARG 67 65.996 3.150 -8.085 1.00 0.00 H ATOM 213 1HD ARG 67 67.325 4.855 -8.795 1.00 0.00 H ATOM 214 2HD ARG 67 68.344 3.608 -9.533 1.00 0.00 H ATOM 215 HE ARG 67 66.370 5.291 -10.934 1.00 0.00 H ATOM 216 1HH1 ARG 67 68.379 2.421 -11.041 1.00 0.00 H ATOM 217 2HH1 ARG 67 68.320 2.331 -12.764 1.00 0.00 H ATOM 218 1HH2 ARG 67 66.328 5.126 -13.157 1.00 0.00 H ATOM 219 2HH2 ARG 67 67.176 3.840 -13.950 1.00 0.00 H ATOM 220 N THR 68 63.709 0.450 -8.030 1.00 0.00 N ATOM 221 CA THR 68 62.288 0.396 -8.462 1.00 0.00 C ATOM 222 C THR 68 61.515 1.581 -7.856 1.00 0.00 C ATOM 223 O THR 68 61.790 2.013 -6.754 1.00 0.00 O ATOM 224 CB THR 68 61.792 -0.950 -7.913 1.00 0.00 C ATOM 225 OG1 THR 68 62.384 -2.005 -8.658 1.00 0.00 O ATOM 226 CG2 THR 68 60.272 -1.045 -8.024 1.00 0.00 C ATOM 227 H THR 68 63.919 0.430 -7.076 1.00 0.00 H ATOM 228 HA THR 68 62.219 0.407 -9.538 1.00 0.00 H ATOM 229 HB THR 68 62.077 -1.042 -6.877 1.00 0.00 H ATOM 230 HG1 THR 68 63.307 -2.068 -8.402 1.00 0.00 H ATOM 231 1HG2 THR 68 59.828 -0.225 -7.482 1.00 0.00 H ATOM 232 2HG2 THR 68 59.984 -0.991 -9.062 1.00 0.00 H ATOM 233 3HG2 THR 68 59.939 -1.980 -7.603 1.00 0.00 H ATOM 234 N VAL 69 60.549 2.097 -8.574 1.00 0.00 N ATOM 235 CA VAL 69 59.745 3.245 -8.054 1.00 0.00 C ATOM 236 C VAL 69 58.289 3.110 -8.518 1.00 0.00 C ATOM 237 O VAL 69 58.021 2.871 -9.680 1.00 0.00 O ATOM 238 CB VAL 69 60.404 4.501 -8.646 1.00 0.00 C ATOM 239 CG1 VAL 69 60.379 4.432 -10.177 1.00 0.00 C ATOM 240 CG2 VAL 69 59.649 5.755 -8.181 1.00 0.00 C ATOM 241 H VAL 69 60.348 1.723 -9.458 1.00 0.00 H ATOM 242 HA VAL 69 59.794 3.276 -6.977 1.00 0.00 H ATOM 243 HB VAL 69 61.430 4.554 -8.309 1.00 0.00 H ATOM 244 1HG1 VAL 69 60.663 3.441 -10.498 1.00 0.00 H ATOM 245 2HG1 VAL 69 59.383 4.654 -10.531 1.00 0.00 H ATOM 246 3HG1 VAL 69 61.074 5.154 -10.581 1.00 0.00 H ATOM 247 1HG2 VAL 69 58.635 5.492 -7.920 1.00 0.00 H ATOM 248 2HG2 VAL 69 60.143 6.173 -7.316 1.00 0.00 H ATOM 249 3HG2 VAL 69 59.639 6.486 -8.975 1.00 0.00 H ATOM 250 N VAL 70 57.351 3.253 -7.615 1.00 0.00 N ATOM 251 CA VAL 70 55.911 3.125 -7.997 1.00 0.00 C ATOM 252 C VAL 70 55.100 4.305 -7.450 1.00 0.00 C ATOM 253 O VAL 70 55.621 5.165 -6.765 1.00 0.00 O ATOM 254 CB VAL 70 55.442 1.809 -7.367 1.00 0.00 C ATOM 255 CG1 VAL 70 56.245 0.648 -7.956 1.00 0.00 C ATOM 256 CG2 VAL 70 55.650 1.850 -5.848 1.00 0.00 C ATOM 257 H VAL 70 57.595 3.440 -6.684 1.00 0.00 H ATOM 258 HA VAL 70 55.814 3.071 -9.069 1.00 0.00 H ATOM 259 HB VAL 70 54.393 1.664 -7.583 1.00 0.00 H ATOM 260 1HG1 VAL 70 56.319 0.768 -9.027 1.00 0.00 H ATOM 261 2HG1 VAL 70 57.236 0.641 -7.526 1.00 0.00 H ATOM 262 3HG1 VAL 70 55.748 -0.284 -7.731 1.00 0.00 H ATOM 263 1HG2 VAL 70 55.215 2.755 -5.450 1.00 0.00 H ATOM 264 2HG2 VAL 70 55.175 0.992 -5.396 1.00 0.00 H ATOM 265 3HG2 VAL 70 56.708 1.833 -5.629 1.00 0.00 H ATOM 266 N ASN 71 53.825 4.344 -7.751 1.00 0.00 N ATOM 267 CA ASN 71 52.965 5.460 -7.256 1.00 0.00 C ATOM 268 C ASN 71 52.525 5.191 -5.816 1.00 0.00 C ATOM 269 O ASN 71 51.804 4.251 -5.542 1.00 0.00 O ATOM 270 CB ASN 71 51.755 5.478 -8.190 1.00 0.00 C ATOM 271 CG ASN 71 52.216 5.769 -9.619 1.00 0.00 C ATOM 272 OD1 ASN 71 52.308 6.913 -10.019 1.00 0.00 O ATOM 273 ND2 ASN 71 52.511 4.775 -10.412 1.00 0.00 N ATOM 274 H ASN 71 53.434 3.636 -8.304 1.00 0.00 H ATOM 275 HA ASN 71 53.492 6.398 -7.319 1.00 0.00 H ATOM 276 1HB ASN 71 51.262 4.518 -8.157 1.00 0.00 H ATOM 277 2HB ASN 71 51.068 6.248 -7.871 1.00 0.00 H ATOM 278 1HD2 ASN 71 52.806 4.951 -11.329 1.00 0.00 H ATOM 279 2HD2 ASN 71 52.436 3.853 -10.089 1.00 0.00 H ATOM 280 N VAL 72 52.962 6.011 -4.898 1.00 0.00 N ATOM 281 CA VAL 72 52.590 5.821 -3.469 1.00 0.00 C ATOM 282 C VAL 72 51.821 7.038 -2.954 1.00 0.00 C ATOM 283 O VAL 72 52.292 7.771 -2.107 1.00 0.00 O ATOM 284 CB VAL 72 53.920 5.669 -2.735 1.00 0.00 C ATOM 285 CG1 VAL 72 54.615 4.396 -3.221 1.00 0.00 C ATOM 286 CG2 VAL 72 54.812 6.886 -3.007 1.00 0.00 C ATOM 287 H VAL 72 53.545 6.753 -5.146 1.00 0.00 H ATOM 288 HA VAL 72 52.002 4.927 -3.350 1.00 0.00 H ATOM 289 HB VAL 72 53.736 5.595 -1.680 1.00 0.00 H ATOM 290 1HG1 VAL 72 53.879 3.713 -3.621 1.00 0.00 H ATOM 291 2HG1 VAL 72 55.328 4.647 -3.992 1.00 0.00 H ATOM 292 3HG1 VAL 72 55.127 3.927 -2.395 1.00 0.00 H ATOM 293 1HG2 VAL 72 54.196 7.723 -3.303 1.00 0.00 H ATOM 294 2HG2 VAL 72 55.359 7.140 -2.112 1.00 0.00 H ATOM 295 3HG2 VAL 72 55.506 6.654 -3.799 1.00 0.00 H ATOM 296 N ARG 73 50.639 7.250 -3.464 1.00 0.00 N ATOM 297 CA ARG 73 49.819 8.413 -3.016 1.00 0.00 C ATOM 298 C ARG 73 48.941 8.009 -1.829 1.00 0.00 C ATOM 299 O ARG 73 49.153 6.982 -1.217 1.00 0.00 O ATOM 300 CB ARG 73 48.956 8.777 -4.224 1.00 0.00 C ATOM 301 CG ARG 73 48.798 10.297 -4.299 1.00 0.00 C ATOM 302 CD ARG 73 49.888 10.880 -5.201 1.00 0.00 C ATOM 303 NE ARG 73 49.460 10.541 -6.592 1.00 0.00 N ATOM 304 CZ ARG 73 48.479 11.192 -7.188 1.00 0.00 C ATOM 305 NH1 ARG 73 47.835 12.165 -6.586 1.00 0.00 N ATOM 306 NH2 ARG 73 48.141 10.859 -8.403 1.00 0.00 N ATOM 307 H ARG 73 50.291 6.639 -4.145 1.00 0.00 H ATOM 308 HA ARG 73 50.455 9.242 -2.751 1.00 0.00 H ATOM 309 1HB ARG 73 49.431 8.417 -5.125 1.00 0.00 H ATOM 310 2HB ARG 73 47.984 8.320 -4.121 1.00 0.00 H ATOM 311 1HG ARG 73 47.826 10.537 -4.706 1.00 0.00 H ATOM 312 2HG ARG 73 48.889 10.718 -3.310 1.00 0.00 H ATOM 313 1HD ARG 73 49.946 11.952 -5.072 1.00 0.00 H ATOM 314 2HD ARG 73 50.841 10.421 -4.985 1.00 0.00 H ATOM 315 HE ARG 73 49.918 9.820 -7.073 1.00 0.00 H ATOM 316 1HH1 ARG 73 48.078 12.436 -5.656 1.00 0.00 H ATOM 317 2HH1 ARG 73 47.095 12.640 -7.063 1.00 0.00 H ATOM 318 1HH2 ARG 73 48.623 10.120 -8.873 1.00 0.00 H ATOM 319 2HH2 ARG 73 47.398 11.345 -8.866 1.00 0.00 H ATOM 320 N ASN 74 47.955 8.812 -1.504 1.00 0.00 N ATOM 321 CA ASN 74 47.043 8.498 -0.354 1.00 0.00 C ATOM 322 C ASN 74 47.849 8.312 0.944 1.00 0.00 C ATOM 323 O ASN 74 48.019 9.244 1.707 1.00 0.00 O ATOM 324 CB ASN 74 46.303 7.210 -0.745 1.00 0.00 C ATOM 325 CG ASN 74 45.055 7.563 -1.555 1.00 0.00 C ATOM 326 OD1 ASN 74 44.473 8.614 -1.369 1.00 0.00 O ATOM 327 ND2 ASN 74 44.616 6.724 -2.453 1.00 0.00 N ATOM 328 H ASN 74 47.812 9.632 -2.022 1.00 0.00 H ATOM 329 HA ASN 74 46.329 9.297 -0.226 1.00 0.00 H ATOM 330 1HB ASN 74 46.954 6.585 -1.339 1.00 0.00 H ATOM 331 2HB ASN 74 46.011 6.678 0.148 1.00 0.00 H ATOM 332 1HD2 ASN 74 43.817 6.942 -2.977 1.00 0.00 H ATOM 333 2HD2 ASN 74 45.085 5.877 -2.603 1.00 0.00 H ATOM 334 N GLY 75 48.353 7.126 1.199 1.00 0.00 N ATOM 335 CA GLY 75 49.148 6.889 2.434 1.00 0.00 C ATOM 336 C GLY 75 49.779 5.514 2.301 1.00 0.00 C ATOM 337 O GLY 75 49.845 4.747 3.242 1.00 0.00 O ATOM 338 H GLY 75 48.217 6.379 0.569 1.00 0.00 H ATOM 339 1HA GLY 75 49.917 7.644 2.526 1.00 0.00 H ATOM 340 2HA GLY 75 48.504 6.909 3.298 1.00 0.00 H ATOM 341 N MET 76 50.215 5.194 1.110 1.00 0.00 N ATOM 342 CA MET 76 50.817 3.860 0.860 1.00 0.00 C ATOM 343 C MET 76 52.031 3.633 1.766 1.00 0.00 C ATOM 344 O MET 76 53.151 3.940 1.402 1.00 0.00 O ATOM 345 CB MET 76 51.240 3.873 -0.612 1.00 0.00 C ATOM 346 CG MET 76 50.099 3.329 -1.475 1.00 0.00 C ATOM 347 SD MET 76 50.783 2.508 -2.936 1.00 0.00 S ATOM 348 CE MET 76 49.226 2.314 -3.838 1.00 0.00 C ATOM 349 H MET 76 50.121 5.834 0.372 1.00 0.00 H ATOM 350 HA MET 76 50.073 3.100 1.019 1.00 0.00 H ATOM 351 1HB MET 76 51.467 4.887 -0.911 1.00 0.00 H ATOM 352 2HB MET 76 52.115 3.254 -0.741 1.00 0.00 H ATOM 353 1HG MET 76 49.521 2.621 -0.901 1.00 0.00 H ATOM 354 2HG MET 76 49.463 4.145 -1.786 1.00 0.00 H ATOM 355 1HE MET 76 48.401 2.340 -3.139 1.00 0.00 H ATOM 356 2HE MET 76 49.117 3.117 -4.548 1.00 0.00 H ATOM 357 3HE MET 76 49.230 1.369 -4.363 1.00 0.00 H ATOM 358 N SER 77 51.814 3.096 2.939 1.00 0.00 N ATOM 359 CA SER 77 52.955 2.845 3.873 1.00 0.00 C ATOM 360 C SER 77 53.930 1.847 3.246 1.00 0.00 C ATOM 361 O SER 77 53.612 1.184 2.276 1.00 0.00 O ATOM 362 CB SER 77 52.324 2.256 5.135 1.00 0.00 C ATOM 363 OG SER 77 51.553 1.114 4.786 1.00 0.00 O ATOM 364 H SER 77 50.901 2.857 3.204 1.00 0.00 H ATOM 365 HA SER 77 53.459 3.768 4.108 1.00 0.00 H ATOM 366 1HB SER 77 53.098 1.964 5.825 1.00 0.00 H ATOM 367 2HB SER 77 51.692 3.001 5.601 1.00 0.00 H ATOM 368 HG SER 77 50.867 1.005 5.449 1.00 0.00 H ATOM 369 N LEU 78 55.114 1.735 3.793 1.00 0.00 N ATOM 370 CA LEU 78 56.117 0.777 3.231 1.00 0.00 C ATOM 371 C LEU 78 55.564 -0.652 3.271 1.00 0.00 C ATOM 372 O LEU 78 55.918 -1.487 2.460 1.00 0.00 O ATOM 373 CB LEU 78 57.346 0.900 4.138 1.00 0.00 C ATOM 374 CG LEU 78 58.396 1.801 3.479 1.00 0.00 C ATOM 375 CD1 LEU 78 59.586 1.972 4.429 1.00 0.00 C ATOM 376 CD2 LEU 78 58.876 1.170 2.162 1.00 0.00 C ATOM 377 H LEU 78 55.342 2.282 4.574 1.00 0.00 H ATOM 378 HA LEU 78 56.374 1.054 2.221 1.00 0.00 H ATOM 379 1HB LEU 78 57.050 1.327 5.085 1.00 0.00 H ATOM 380 2HB LEU 78 57.769 -0.078 4.304 1.00 0.00 H ATOM 381 HG LEU 78 57.958 2.769 3.277 1.00 0.00 H ATOM 382 1HD1 LEU 78 59.270 1.778 5.443 1.00 0.00 H ATOM 383 2HD1 LEU 78 60.367 1.277 4.156 1.00 0.00 H ATOM 384 3HD1 LEU 78 59.962 2.981 4.356 1.00 0.00 H ATOM 385 1HD2 LEU 78 58.203 0.379 1.872 1.00 0.00 H ATOM 386 2HD2 LEU 78 58.896 1.925 1.390 1.00 0.00 H ATOM 387 3HD2 LEU 78 59.869 0.766 2.293 1.00 0.00 H ATOM 388 N HIS 79 54.703 -0.933 4.215 1.00 0.00 N ATOM 389 CA HIS 79 54.121 -2.306 4.325 1.00 0.00 C ATOM 390 C HIS 79 53.371 -2.684 3.043 1.00 0.00 C ATOM 391 O HIS 79 53.361 -3.832 2.644 1.00 0.00 O ATOM 392 CB HIS 79 53.149 -2.236 5.507 1.00 0.00 C ATOM 393 CG HIS 79 53.211 -3.518 6.292 1.00 0.00 C ATOM 394 ND1 HIS 79 53.057 -4.759 5.694 1.00 0.00 N ATOM 395 CD2 HIS 79 53.410 -3.767 7.627 1.00 0.00 C ATOM 396 CE1 HIS 79 53.164 -5.690 6.660 1.00 0.00 C ATOM 397 NE2 HIS 79 53.380 -5.139 7.857 1.00 0.00 N ATOM 398 H HIS 79 54.442 -0.239 4.856 1.00 0.00 H ATOM 399 HA HIS 79 54.897 -3.026 4.531 1.00 0.00 H ATOM 400 1HB HIS 79 53.420 -1.409 6.145 1.00 0.00 H ATOM 401 2HB HIS 79 52.144 -2.090 5.137 1.00 0.00 H ATOM 402 HD1 HIS 79 52.898 -4.928 4.742 1.00 0.00 H ATOM 403 HD2 HIS 79 53.566 -3.013 8.384 1.00 0.00 H ATOM 404 HE1 HIS 79 53.086 -6.753 6.487 1.00 0.00 H ATOM 405 N ASP 80 52.734 -1.734 2.404 1.00 0.00 N ATOM 406 CA ASP 80 51.973 -2.048 1.156 1.00 0.00 C ATOM 407 C ASP 80 52.911 -2.128 -0.054 1.00 0.00 C ATOM 408 O ASP 80 52.849 -3.061 -0.834 1.00 0.00 O ATOM 409 CB ASP 80 50.990 -0.890 0.993 1.00 0.00 C ATOM 410 CG ASP 80 50.030 -0.863 2.183 1.00 0.00 C ATOM 411 OD1 ASP 80 50.500 -0.681 3.295 1.00 0.00 O ATOM 412 OD2 ASP 80 48.841 -1.024 1.964 1.00 0.00 O ATOM 413 H ASP 80 52.747 -0.816 2.750 1.00 0.00 H ATOM 414 HA ASP 80 51.431 -2.973 1.271 1.00 0.00 H ATOM 415 1HB ASP 80 51.536 0.042 0.948 1.00 0.00 H ATOM 416 2HB ASP 80 50.428 -1.022 0.083 1.00 0.00 H ATOM 417 N CYS 81 53.768 -1.154 -0.222 1.00 0.00 N ATOM 418 CA CYS 81 54.703 -1.162 -1.393 1.00 0.00 C ATOM 419 C CYS 81 55.694 -2.327 -1.292 1.00 0.00 C ATOM 420 O CYS 81 56.063 -2.925 -2.289 1.00 0.00 O ATOM 421 CB CYS 81 55.444 0.174 -1.324 1.00 0.00 C ATOM 422 SG CYS 81 54.267 1.530 -1.555 1.00 0.00 S ATOM 423 H CYS 81 53.789 -0.410 0.417 1.00 0.00 H ATOM 424 HA CYS 81 54.147 -1.224 -2.314 1.00 0.00 H ATOM 425 1HB CYS 81 55.922 0.272 -0.361 1.00 0.00 H ATOM 426 2HB CYS 81 56.192 0.211 -2.103 1.00 0.00 H ATOM 427 HG CYS 81 54.227 1.732 -2.492 1.00 0.00 H ATOM 428 N LEU 82 56.132 -2.649 -0.101 1.00 0.00 N ATOM 429 CA LEU 82 57.108 -3.767 0.062 1.00 0.00 C ATOM 430 C LEU 82 56.394 -5.117 -0.001 1.00 0.00 C ATOM 431 O LEU 82 56.781 -5.989 -0.753 1.00 0.00 O ATOM 432 CB LEU 82 57.736 -3.552 1.439 1.00 0.00 C ATOM 433 CG LEU 82 58.571 -2.270 1.429 1.00 0.00 C ATOM 434 CD1 LEU 82 59.113 -2.009 2.833 1.00 0.00 C ATOM 435 CD2 LEU 82 59.744 -2.423 0.456 1.00 0.00 C ATOM 436 H LEU 82 55.825 -2.151 0.685 1.00 0.00 H ATOM 437 HA LEU 82 57.870 -3.712 -0.699 1.00 0.00 H ATOM 438 1HB LEU 82 56.955 -3.468 2.181 1.00 0.00 H ATOM 439 2HB LEU 82 58.370 -4.390 1.680 1.00 0.00 H ATOM 440 HG LEU 82 57.951 -1.441 1.122 1.00 0.00 H ATOM 441 1HD1 LEU 82 59.652 -2.879 3.176 1.00 0.00 H ATOM 442 2HD1 LEU 82 59.779 -1.157 2.812 1.00 0.00 H ATOM 443 3HD1 LEU 82 58.291 -1.808 3.503 1.00 0.00 H ATOM 444 1HD2 LEU 82 60.251 -3.357 0.647 1.00 0.00 H ATOM 445 2HD2 LEU 82 59.374 -2.414 -0.559 1.00 0.00 H ATOM 446 3HD2 LEU 82 60.434 -1.604 0.593 1.00 0.00 H ATOM 447 N MET 83 55.349 -5.298 0.774 1.00 0.00 N ATOM 448 CA MET 83 54.600 -6.601 0.753 1.00 0.00 C ATOM 449 C MET 83 54.238 -6.991 -0.689 1.00 0.00 C ATOM 450 O MET 83 54.091 -8.153 -1.006 1.00 0.00 O ATOM 451 CB MET 83 53.333 -6.349 1.577 1.00 0.00 C ATOM 452 CG MET 83 52.490 -7.627 1.639 1.00 0.00 C ATOM 453 SD MET 83 51.596 -7.690 3.212 1.00 0.00 S ATOM 454 CE MET 83 49.972 -7.219 2.570 1.00 0.00 C ATOM 455 H MET 83 55.054 -4.575 1.367 1.00 0.00 H ATOM 456 HA MET 83 55.189 -7.378 1.214 1.00 0.00 H ATOM 457 1HB MET 83 53.612 -6.054 2.578 1.00 0.00 H ATOM 458 2HB MET 83 52.756 -5.561 1.118 1.00 0.00 H ATOM 459 1HG MET 83 51.782 -7.628 0.823 1.00 0.00 H ATOM 460 2HG MET 83 53.136 -8.488 1.556 1.00 0.00 H ATOM 461 1HE MET 83 49.800 -7.711 1.626 1.00 0.00 H ATOM 462 2HE MET 83 49.207 -7.518 3.274 1.00 0.00 H ATOM 463 3HE MET 83 49.939 -6.148 2.427 1.00 0.00 H ATOM 464 N LYS 84 54.110 -6.019 -1.555 1.00 0.00 N ATOM 465 CA LYS 84 53.773 -6.305 -2.987 1.00 0.00 C ATOM 466 C LYS 84 55.000 -6.857 -3.707 1.00 0.00 C ATOM 467 O LYS 84 55.065 -8.024 -4.041 1.00 0.00 O ATOM 468 CB LYS 84 53.413 -4.950 -3.570 1.00 0.00 C ATOM 469 CG LYS 84 52.053 -4.498 -3.036 1.00 0.00 C ATOM 470 CD LYS 84 50.949 -4.965 -3.987 1.00 0.00 C ATOM 471 CE LYS 84 49.662 -4.189 -3.696 1.00 0.00 C ATOM 472 NZ LYS 84 48.583 -4.974 -4.359 1.00 0.00 N ATOM 473 H LYS 84 54.245 -5.092 -1.264 1.00 0.00 H ATOM 474 HA LYS 84 52.939 -6.987 -3.062 1.00 0.00 H ATOM 475 1HB LYS 84 54.176 -4.242 -3.280 1.00 0.00 H ATOM 476 2HB LYS 84 53.378 -5.021 -4.645 1.00 0.00 H ATOM 477 1HG LYS 84 51.891 -4.926 -2.057 1.00 0.00 H ATOM 478 2HG LYS 84 52.033 -3.421 -2.966 1.00 0.00 H ATOM 479 1HD LYS 84 51.255 -4.787 -5.008 1.00 0.00 H ATOM 480 2HD LYS 84 50.771 -6.020 -3.843 1.00 0.00 H ATOM 481 1HE LYS 84 49.490 -4.134 -2.630 1.00 0.00 H ATOM 482 2HE LYS 84 49.714 -3.199 -4.122 1.00 0.00 H ATOM 483 1HZ LYS 84 48.818 -5.108 -5.363 1.00 0.00 H ATOM 484 2HZ LYS 84 48.494 -5.901 -3.895 1.00 0.00 H ATOM 485 3HZ LYS 84 47.683 -4.459 -4.282 1.00 0.00 H ATOM 486 N ALA 85 55.996 -6.026 -3.928 1.00 0.00 N ATOM 487 CA ALA 85 57.242 -6.512 -4.601 1.00 0.00 C ATOM 488 C ALA 85 57.807 -7.702 -3.814 1.00 0.00 C ATOM 489 O ALA 85 58.520 -8.533 -4.346 1.00 0.00 O ATOM 490 CB ALA 85 58.215 -5.330 -4.560 1.00 0.00 C ATOM 491 H ALA 85 55.930 -5.092 -3.631 1.00 0.00 H ATOM 492 HA ALA 85 57.038 -6.793 -5.622 1.00 0.00 H ATOM 493 1HB ALA 85 57.867 -4.602 -3.842 1.00 0.00 H ATOM 494 2HB ALA 85 59.196 -5.679 -4.272 1.00 0.00 H ATOM 495 3HB ALA 85 58.268 -4.874 -5.537 1.00 0.00 H ATOM 496 N LEU 86 57.466 -7.790 -2.549 1.00 0.00 N ATOM 497 CA LEU 86 57.956 -8.927 -1.716 1.00 0.00 C ATOM 498 C LEU 86 57.251 -10.220 -2.139 1.00 0.00 C ATOM 499 O LEU 86 57.879 -11.250 -2.301 1.00 0.00 O ATOM 500 CB LEU 86 57.591 -8.548 -0.277 1.00 0.00 C ATOM 501 CG LEU 86 58.006 -9.664 0.683 1.00 0.00 C ATOM 502 CD1 LEU 86 58.299 -9.066 2.060 1.00 0.00 C ATOM 503 CD2 LEU 86 56.867 -10.681 0.796 1.00 0.00 C ATOM 504 H LEU 86 56.873 -7.106 -2.150 1.00 0.00 H ATOM 505 HA LEU 86 59.026 -9.031 -1.812 1.00 0.00 H ATOM 506 1HB LEU 86 58.102 -7.636 -0.007 1.00 0.00 H ATOM 507 2HB LEU 86 56.524 -8.396 -0.207 1.00 0.00 H ATOM 508 HG LEU 86 58.892 -10.152 0.306 1.00 0.00 H ATOM 509 1HD1 LEU 86 57.776 -8.126 2.165 1.00 0.00 H ATOM 510 2HD1 LEU 86 57.967 -9.748 2.827 1.00 0.00 H ATOM 511 3HD1 LEU 86 59.361 -8.899 2.161 1.00 0.00 H ATOM 512 1HD2 LEU 86 55.929 -10.199 0.560 1.00 0.00 H ATOM 513 2HD2 LEU 86 57.039 -11.492 0.104 1.00 0.00 H ATOM 514 3HD2 LEU 86 56.829 -11.069 1.803 1.00 0.00 H ATOM 515 N LYS 87 55.952 -10.174 -2.323 1.00 0.00 N ATOM 516 CA LYS 87 55.213 -11.404 -2.739 1.00 0.00 C ATOM 517 C LYS 87 55.423 -11.660 -4.236 1.00 0.00 C ATOM 518 O LYS 87 55.395 -12.788 -4.691 1.00 0.00 O ATOM 519 CB LYS 87 53.732 -11.136 -2.408 1.00 0.00 C ATOM 520 CG LYS 87 53.156 -10.012 -3.281 1.00 0.00 C ATOM 521 CD LYS 87 51.628 -10.059 -3.224 1.00 0.00 C ATOM 522 CE LYS 87 51.119 -11.208 -4.097 1.00 0.00 C ATOM 523 NZ LYS 87 49.769 -11.532 -3.557 1.00 0.00 N ATOM 524 H LYS 87 55.467 -9.333 -2.189 1.00 0.00 H ATOM 525 HA LYS 87 55.566 -12.252 -2.170 1.00 0.00 H ATOM 526 1HB LYS 87 53.163 -12.034 -2.578 1.00 0.00 H ATOM 527 2HB LYS 87 53.648 -10.854 -1.370 1.00 0.00 H ATOM 528 1HG LYS 87 53.496 -9.060 -2.913 1.00 0.00 H ATOM 529 2HG LYS 87 53.476 -10.139 -4.302 1.00 0.00 H ATOM 530 1HD LYS 87 51.311 -10.215 -2.202 1.00 0.00 H ATOM 531 2HD LYS 87 51.224 -9.127 -3.588 1.00 0.00 H ATOM 532 1HE LYS 87 51.049 -10.892 -5.129 1.00 0.00 H ATOM 533 2HE LYS 87 51.768 -12.065 -4.008 1.00 0.00 H ATOM 534 1HZ LYS 87 49.829 -11.666 -2.529 1.00 0.00 H ATOM 535 2HZ LYS 87 49.116 -10.750 -3.765 1.00 0.00 H ATOM 536 3HZ LYS 87 49.418 -12.405 -4.002 1.00 0.00 H ATOM 537 N VAL 88 55.642 -10.618 -4.999 1.00 0.00 N ATOM 538 CA VAL 88 55.866 -10.791 -6.467 1.00 0.00 C ATOM 539 C VAL 88 57.128 -11.627 -6.694 1.00 0.00 C ATOM 540 O VAL 88 57.229 -12.369 -7.653 1.00 0.00 O ATOM 541 CB VAL 88 56.044 -9.373 -7.024 1.00 0.00 C ATOM 542 CG1 VAL 88 56.291 -9.437 -8.534 1.00 0.00 C ATOM 543 CG2 VAL 88 54.778 -8.553 -6.753 1.00 0.00 C ATOM 544 H VAL 88 55.664 -9.722 -4.601 1.00 0.00 H ATOM 545 HA VAL 88 55.011 -11.264 -6.925 1.00 0.00 H ATOM 546 HB VAL 88 56.889 -8.902 -6.542 1.00 0.00 H ATOM 547 1HG1 VAL 88 55.589 -10.122 -8.985 1.00 0.00 H ATOM 548 2HG1 VAL 88 56.161 -8.454 -8.962 1.00 0.00 H ATOM 549 3HG1 VAL 88 57.298 -9.779 -8.719 1.00 0.00 H ATOM 550 1HG2 VAL 88 54.252 -8.969 -5.907 1.00 0.00 H ATOM 551 2HG2 VAL 88 55.050 -7.530 -6.540 1.00 0.00 H ATOM 552 3HG2 VAL 88 54.137 -8.581 -7.622 1.00 0.00 H ATOM 553 N ARG 89 58.084 -11.516 -5.807 1.00 0.00 N ATOM 554 CA ARG 89 59.340 -12.307 -5.948 1.00 0.00 C ATOM 555 C ARG 89 59.267 -13.577 -5.090 1.00 0.00 C ATOM 556 O ARG 89 60.029 -14.506 -5.282 1.00 0.00 O ATOM 557 CB ARG 89 60.447 -11.381 -5.440 1.00 0.00 C ATOM 558 CG ARG 89 60.862 -10.418 -6.555 1.00 0.00 C ATOM 559 CD ARG 89 62.089 -10.974 -7.284 1.00 0.00 C ATOM 560 NE ARG 89 61.837 -10.704 -8.735 1.00 0.00 N ATOM 561 CZ ARG 89 62.820 -10.706 -9.615 1.00 0.00 C ATOM 562 NH1 ARG 89 64.061 -10.946 -9.260 1.00 0.00 N ATOM 563 NH2 ARG 89 62.551 -10.464 -10.869 1.00 0.00 N ATOM 564 H ARG 89 57.971 -10.916 -5.037 1.00 0.00 H ATOM 565 HA ARG 89 59.515 -12.558 -6.982 1.00 0.00 H ATOM 566 1HB ARG 89 60.083 -10.817 -4.593 1.00 0.00 H ATOM 567 2HB ARG 89 61.300 -11.971 -5.140 1.00 0.00 H ATOM 568 1HG ARG 89 60.047 -10.304 -7.256 1.00 0.00 H ATOM 569 2HG ARG 89 61.105 -9.457 -6.128 1.00 0.00 H ATOM 570 1HD ARG 89 62.982 -10.463 -6.953 1.00 0.00 H ATOM 571 2HD ARG 89 62.177 -12.036 -7.117 1.00 0.00 H ATOM 572 HE ARG 89 60.923 -10.522 -9.039 1.00 0.00 H ATOM 573 1HH1 ARG 89 64.289 -11.134 -8.306 1.00 0.00 H ATOM 574 2HH1 ARG 89 64.785 -10.941 -9.950 1.00 0.00 H ATOM 575 1HH2 ARG 89 61.610 -10.280 -11.152 1.00 0.00 H ATOM 576 2HH2 ARG 89 63.287 -10.463 -11.546 1.00 0.00 H ATOM 577 N GLY 90 58.360 -13.621 -4.141 1.00 0.00 N ATOM 578 CA GLY 90 58.240 -14.823 -3.266 1.00 0.00 C ATOM 579 C GLY 90 59.164 -14.662 -2.058 1.00 0.00 C ATOM 580 O GLY 90 59.633 -15.632 -1.494 1.00 0.00 O ATOM 581 H GLY 90 57.761 -12.861 -3.998 1.00 0.00 H ATOM 582 1HA GLY 90 57.218 -14.923 -2.931 1.00 0.00 H ATOM 583 2HA GLY 90 58.528 -15.703 -3.820 1.00 0.00 H ATOM 584 N LEU 91 59.435 -13.441 -1.663 1.00 0.00 N ATOM 585 CA LEU 91 60.338 -13.212 -0.496 1.00 0.00 C ATOM 586 C LEU 91 59.535 -13.163 0.812 1.00 0.00 C ATOM 587 O LEU 91 58.470 -13.742 0.917 1.00 0.00 O ATOM 588 CB LEU 91 60.998 -11.861 -0.769 1.00 0.00 C ATOM 589 CG LEU 91 61.768 -11.890 -2.085 1.00 0.00 C ATOM 590 CD1 LEU 91 62.402 -10.521 -2.286 1.00 0.00 C ATOM 591 CD2 LEU 91 62.869 -12.956 -2.026 1.00 0.00 C ATOM 592 H LEU 91 59.052 -12.672 -2.140 1.00 0.00 H ATOM 593 HA LEU 91 61.088 -13.983 -0.446 1.00 0.00 H ATOM 594 1HB LEU 91 60.238 -11.096 -0.820 1.00 0.00 H ATOM 595 2HB LEU 91 61.684 -11.627 0.029 1.00 0.00 H ATOM 596 HG LEU 91 61.091 -12.103 -2.900 1.00 0.00 H ATOM 597 1HD1 LEU 91 62.620 -10.087 -1.317 1.00 0.00 H ATOM 598 2HD1 LEU 91 63.316 -10.624 -2.851 1.00 0.00 H ATOM 599 3HD1 LEU 91 61.714 -9.883 -2.819 1.00 0.00 H ATOM 600 1HD2 LEU 91 63.149 -13.127 -0.997 1.00 0.00 H ATOM 601 2HD2 LEU 91 62.502 -13.876 -2.456 1.00 0.00 H ATOM 602 3HD2 LEU 91 63.730 -12.616 -2.582 1.00 0.00 H ATOM 603 N GLN 92 60.043 -12.474 1.808 1.00 0.00 N ATOM 604 CA GLN 92 59.318 -12.382 3.112 1.00 0.00 C ATOM 605 C GLN 92 59.827 -11.174 3.918 1.00 0.00 C ATOM 606 O GLN 92 60.965 -10.775 3.766 1.00 0.00 O ATOM 607 CB GLN 92 59.630 -13.694 3.842 1.00 0.00 C ATOM 608 CG GLN 92 61.144 -13.853 4.015 1.00 0.00 C ATOM 609 CD GLN 92 61.430 -15.018 4.964 1.00 0.00 C ATOM 610 OE1 GLN 92 60.686 -15.257 5.894 1.00 0.00 O ATOM 611 NE2 GLN 92 62.486 -15.760 4.767 1.00 0.00 N ATOM 612 H GLN 92 60.904 -12.014 1.696 1.00 0.00 H ATOM 613 HA GLN 92 58.256 -12.299 2.944 1.00 0.00 H ATOM 614 1HB GLN 92 59.157 -13.685 4.813 1.00 0.00 H ATOM 615 2HB GLN 92 59.248 -14.524 3.266 1.00 0.00 H ATOM 616 1HG GLN 92 61.597 -14.050 3.054 1.00 0.00 H ATOM 617 2HG GLN 92 61.557 -12.945 4.428 1.00 0.00 H ATOM 618 1HE2 GLN 92 62.678 -16.509 5.369 1.00 0.00 H ATOM 619 2HE2 GLN 92 63.087 -15.568 4.017 1.00 0.00 H ATOM 620 N PRO 93 58.971 -10.622 4.752 1.00 0.00 N ATOM 621 CA PRO 93 59.370 -9.449 5.568 1.00 0.00 C ATOM 622 C PRO 93 60.262 -9.884 6.735 1.00 0.00 C ATOM 623 O PRO 93 61.153 -9.165 7.147 1.00 0.00 O ATOM 624 CB PRO 93 58.043 -8.898 6.082 1.00 0.00 C ATOM 625 CG PRO 93 57.103 -10.062 6.074 1.00 0.00 C ATOM 626 CD PRO 93 57.576 -11.021 5.011 1.00 0.00 C ATOM 627 HA PRO 93 59.867 -8.711 4.960 1.00 0.00 H ATOM 628 1HB PRO 93 58.162 -8.516 7.087 1.00 0.00 H ATOM 629 2HB PRO 93 57.678 -8.125 5.425 1.00 0.00 H ATOM 630 1HG PRO 93 57.112 -10.548 7.040 1.00 0.00 H ATOM 631 2HG PRO 93 56.104 -9.727 5.841 1.00 0.00 H ATOM 632 1HD PRO 93 57.532 -12.038 5.375 1.00 0.00 H ATOM 633 2HD PRO 93 56.986 -10.913 4.114 1.00 0.00 H ATOM 634 N GLU 94 60.022 -11.053 7.271 1.00 0.00 N ATOM 635 CA GLU 94 60.847 -11.543 8.420 1.00 0.00 C ATOM 636 C GLU 94 62.327 -11.629 8.028 1.00 0.00 C ATOM 637 O GLU 94 63.200 -11.588 8.875 1.00 0.00 O ATOM 638 CB GLU 94 60.301 -12.936 8.743 1.00 0.00 C ATOM 639 CG GLU 94 58.950 -12.805 9.448 1.00 0.00 C ATOM 640 CD GLU 94 58.269 -14.173 9.505 1.00 0.00 C ATOM 641 OE1 GLU 94 58.864 -15.088 10.052 1.00 0.00 O ATOM 642 OE2 GLU 94 57.164 -14.284 9.000 1.00 0.00 O ATOM 643 H GLU 94 59.293 -11.607 6.920 1.00 0.00 H ATOM 644 HA GLU 94 60.723 -10.895 9.273 1.00 0.00 H ATOM 645 1HB GLU 94 60.177 -13.495 7.826 1.00 0.00 H ATOM 646 2HB GLU 94 60.994 -13.453 9.389 1.00 0.00 H ATOM 647 1HG GLU 94 59.104 -12.436 10.452 1.00 0.00 H ATOM 648 2HG GLU 94 58.324 -12.115 8.903 1.00 0.00 H ATOM 649 N CYS 95 62.615 -11.754 6.756 1.00 0.00 N ATOM 650 CA CYS 95 64.039 -11.851 6.313 1.00 0.00 C ATOM 651 C CYS 95 64.486 -10.554 5.632 1.00 0.00 C ATOM 652 O CYS 95 65.660 -10.236 5.603 1.00 0.00 O ATOM 653 CB CYS 95 64.065 -13.013 5.320 1.00 0.00 C ATOM 654 SG CYS 95 65.777 -13.532 5.043 1.00 0.00 S ATOM 655 H CYS 95 61.895 -11.791 6.092 1.00 0.00 H ATOM 656 HA CYS 95 64.678 -12.073 7.152 1.00 0.00 H ATOM 657 1HB CYS 95 63.499 -13.841 5.721 1.00 0.00 H ATOM 658 2HB CYS 95 63.629 -12.698 4.384 1.00 0.00 H ATOM 659 HG CYS 95 66.260 -13.412 5.864 1.00 0.00 H ATOM 660 N CYS 96 63.562 -9.807 5.080 1.00 0.00 N ATOM 661 CA CYS 96 63.933 -8.534 4.395 1.00 0.00 C ATOM 662 C CYS 96 63.728 -7.342 5.334 1.00 0.00 C ATOM 663 O CYS 96 62.797 -7.309 6.117 1.00 0.00 O ATOM 664 CB CYS 96 62.989 -8.443 3.197 1.00 0.00 C ATOM 665 SG CYS 96 63.519 -9.611 1.921 1.00 0.00 S ATOM 666 H CYS 96 62.624 -10.086 5.113 1.00 0.00 H ATOM 667 HA CYS 96 64.955 -8.574 4.055 1.00 0.00 H ATOM 668 1HB CYS 96 61.984 -8.683 3.511 1.00 0.00 H ATOM 669 2HB CYS 96 63.011 -7.441 2.799 1.00 0.00 H ATOM 670 HG CYS 96 63.808 -10.416 2.357 1.00 0.00 H ATOM 671 N ALA 97 64.593 -6.363 5.256 1.00 0.00 N ATOM 672 CA ALA 97 64.461 -5.163 6.135 1.00 0.00 C ATOM 673 C ALA 97 64.375 -3.895 5.284 1.00 0.00 C ATOM 674 O ALA 97 64.805 -3.875 4.146 1.00 0.00 O ATOM 675 CB ALA 97 65.734 -5.148 6.978 1.00 0.00 C ATOM 676 H ALA 97 65.332 -6.417 4.614 1.00 0.00 H ATOM 677 HA ALA 97 63.596 -5.252 6.772 1.00 0.00 H ATOM 678 1HB ALA 97 66.507 -5.706 6.472 1.00 0.00 H ATOM 679 2HB ALA 97 66.059 -4.127 7.117 1.00 0.00 H ATOM 680 3HB ALA 97 65.535 -5.597 7.940 1.00 0.00 H ATOM 681 N VAL 98 63.823 -2.839 5.826 1.00 0.00 N ATOM 682 CA VAL 98 63.707 -1.573 5.050 1.00 0.00 C ATOM 683 C VAL 98 64.819 -0.597 5.454 1.00 0.00 C ATOM 684 O VAL 98 65.292 -0.610 6.575 1.00 0.00 O ATOM 685 CB VAL 98 62.321 -1.016 5.399 1.00 0.00 C ATOM 686 CG1 VAL 98 61.248 -2.030 4.997 1.00 0.00 C ATOM 687 CG2 VAL 98 62.220 -0.738 6.905 1.00 0.00 C ATOM 688 H VAL 98 63.483 -2.878 6.741 1.00 0.00 H ATOM 689 HA VAL 98 63.761 -1.780 3.994 1.00 0.00 H ATOM 690 HB VAL 98 62.161 -0.103 4.853 1.00 0.00 H ATOM 691 1HG1 VAL 98 61.466 -2.411 4.011 1.00 0.00 H ATOM 692 2HG1 VAL 98 61.242 -2.846 5.705 1.00 0.00 H ATOM 693 3HG1 VAL 98 60.281 -1.549 4.995 1.00 0.00 H ATOM 694 1HG2 VAL 98 63.208 -0.690 7.333 1.00 0.00 H ATOM 695 2HG2 VAL 98 61.717 0.204 7.061 1.00 0.00 H ATOM 696 3HG2 VAL 98 61.660 -1.528 7.384 1.00 0.00 H ATOM 697 N PHE 99 65.240 0.242 4.544 1.00 0.00 N ATOM 698 CA PHE 99 66.322 1.220 4.863 1.00 0.00 C ATOM 699 C PHE 99 66.154 2.483 4.019 1.00 0.00 C ATOM 700 O PHE 99 65.902 2.413 2.832 1.00 0.00 O ATOM 701 CB PHE 99 67.623 0.505 4.498 1.00 0.00 C ATOM 702 CG PHE 99 67.908 -0.574 5.514 1.00 0.00 C ATOM 703 CD1 PHE 99 68.342 -0.228 6.798 1.00 0.00 C ATOM 704 CD2 PHE 99 67.739 -1.921 5.171 1.00 0.00 C ATOM 705 CE1 PHE 99 68.607 -1.229 7.741 1.00 0.00 C ATOM 706 CE2 PHE 99 68.004 -2.922 6.113 1.00 0.00 C ATOM 707 CZ PHE 99 68.438 -2.576 7.398 1.00 0.00 C ATOM 708 H PHE 99 64.845 0.228 3.647 1.00 0.00 H ATOM 709 HA PHE 99 66.315 1.462 5.914 1.00 0.00 H ATOM 710 1HB PHE 99 67.526 0.061 3.518 1.00 0.00 H ATOM 711 2HB PHE 99 68.435 1.216 4.492 1.00 0.00 H ATOM 712 HD1 PHE 99 68.472 0.811 7.062 1.00 0.00 H ATOM 713 HD2 PHE 99 67.403 -2.187 4.179 1.00 0.00 H ATOM 714 HE1 PHE 99 68.942 -0.962 8.732 1.00 0.00 H ATOM 715 HE2 PHE 99 67.874 -3.960 5.848 1.00 0.00 H ATOM 716 HZ PHE 99 68.643 -3.348 8.125 1.00 0.00 H ATOM 717 N ARG 100 66.297 3.637 4.620 1.00 0.00 N ATOM 718 CA ARG 100 66.152 4.905 3.847 1.00 0.00 C ATOM 719 C ARG 100 67.516 5.322 3.278 1.00 0.00 C ATOM 720 O ARG 100 68.549 5.007 3.838 1.00 0.00 O ATOM 721 CB ARG 100 65.611 5.933 4.856 1.00 0.00 C ATOM 722 CG ARG 100 66.655 6.231 5.941 1.00 0.00 C ATOM 723 CD ARG 100 66.184 7.415 6.790 1.00 0.00 C ATOM 724 NE ARG 100 66.540 8.631 5.995 1.00 0.00 N ATOM 725 CZ ARG 100 65.964 9.795 6.224 1.00 0.00 C ATOM 726 NH1 ARG 100 65.055 9.941 7.161 1.00 0.00 N ATOM 727 NH2 ARG 100 66.306 10.827 5.503 1.00 0.00 N ATOM 728 H ARG 100 66.504 3.667 5.576 1.00 0.00 H ATOM 729 HA ARG 100 65.442 4.770 3.046 1.00 0.00 H ATOM 730 1HB ARG 100 65.360 6.846 4.338 1.00 0.00 H ATOM 731 2HB ARG 100 64.723 5.537 5.323 1.00 0.00 H ATOM 732 1HG ARG 100 66.779 5.363 6.571 1.00 0.00 H ATOM 733 2HG ARG 100 67.598 6.478 5.478 1.00 0.00 H ATOM 734 1HD ARG 100 65.115 7.362 6.944 1.00 0.00 H ATOM 735 2HD ARG 100 66.701 7.428 7.737 1.00 0.00 H ATOM 736 HE ARG 100 67.216 8.563 5.288 1.00 0.00 H ATOM 737 1HH1 ARG 100 64.779 9.165 7.725 1.00 0.00 H ATOM 738 2HH1 ARG 100 64.636 10.837 7.310 1.00 0.00 H ATOM 739 1HH2 ARG 100 66.998 10.730 4.787 1.00 0.00 H ATOM 740 2HH2 ARG 100 65.877 11.716 5.666 1.00 0.00 H ATOM 741 N LEU 101 67.529 6.017 2.165 1.00 0.00 N ATOM 742 CA LEU 101 68.831 6.445 1.550 1.00 0.00 C ATOM 743 C LEU 101 69.720 7.154 2.581 1.00 0.00 C ATOM 744 O LEU 101 69.243 7.886 3.428 1.00 0.00 O ATOM 745 CB LEU 101 68.447 7.415 0.432 1.00 0.00 C ATOM 746 CG LEU 101 69.692 7.781 -0.375 1.00 0.00 C ATOM 747 CD1 LEU 101 70.195 6.546 -1.126 1.00 0.00 C ATOM 748 CD2 LEU 101 69.342 8.881 -1.380 1.00 0.00 C ATOM 749 H LEU 101 66.683 6.251 1.727 1.00 0.00 H ATOM 750 HA LEU 101 69.345 5.591 1.134 1.00 0.00 H ATOM 751 1HB LEU 101 67.722 6.947 -0.217 1.00 0.00 H ATOM 752 2HB LEU 101 68.022 8.310 0.860 1.00 0.00 H ATOM 753 HG LEU 101 70.464 8.134 0.294 1.00 0.00 H ATOM 754 1HD1 LEU 101 69.370 5.871 -1.300 1.00 0.00 H ATOM 755 2HD1 LEU 101 70.619 6.848 -2.072 1.00 0.00 H ATOM 756 3HD1 LEU 101 70.949 6.048 -0.535 1.00 0.00 H ATOM 757 1HD2 LEU 101 68.296 8.811 -1.639 1.00 0.00 H ATOM 758 2HD2 LEU 101 69.540 9.847 -0.939 1.00 0.00 H ATOM 759 3HD2 LEU 101 69.942 8.761 -2.270 1.00 0.00 H ATOM 760 N LEU 102 71.011 6.938 2.512 1.00 0.00 N ATOM 761 CA LEU 102 71.946 7.591 3.484 1.00 0.00 C ATOM 762 C LEU 102 71.782 9.115 3.455 1.00 0.00 C ATOM 763 O LEU 102 72.254 9.781 2.553 1.00 0.00 O ATOM 764 CB LEU 102 73.350 7.206 3.011 1.00 0.00 C ATOM 765 CG LEU 102 73.655 5.769 3.432 1.00 0.00 C ATOM 766 CD1 LEU 102 73.290 4.814 2.295 1.00 0.00 C ATOM 767 CD2 LEU 102 75.147 5.637 3.747 1.00 0.00 C ATOM 768 H LEU 102 71.365 6.340 1.820 1.00 0.00 H ATOM 769 HA LEU 102 71.778 7.213 4.479 1.00 0.00 H ATOM 770 1HB LEU 102 73.401 7.285 1.935 1.00 0.00 H ATOM 771 2HB LEU 102 74.074 7.872 3.456 1.00 0.00 H ATOM 772 HG LEU 102 73.076 5.522 4.310 1.00 0.00 H ATOM 773 1HD1 LEU 102 73.484 5.293 1.346 1.00 0.00 H ATOM 774 2HD1 LEU 102 73.884 3.916 2.374 1.00 0.00 H ATOM 775 3HD1 LEU 102 72.242 4.560 2.361 1.00 0.00 H ATOM 776 1HD2 LEU 102 75.717 6.217 3.037 1.00 0.00 H ATOM 777 2HD2 LEU 102 75.337 6.002 4.746 1.00 0.00 H ATOM 778 3HD2 LEU 102 75.438 4.599 3.682 1.00 0.00 H ATOM 779 N GLN 103 71.119 9.666 4.440 1.00 0.00 N ATOM 780 CA GLN 103 70.924 11.147 4.481 1.00 0.00 C ATOM 781 C GLN 103 72.240 11.840 4.853 1.00 0.00 C ATOM 782 O GLN 103 72.372 12.414 5.916 1.00 0.00 O ATOM 783 CB GLN 103 69.857 11.387 5.557 1.00 0.00 C ATOM 784 CG GLN 103 70.324 10.818 6.905 1.00 0.00 C ATOM 785 CD GLN 103 70.001 11.811 8.025 1.00 0.00 C ATOM 786 OE1 GLN 103 70.613 12.856 8.121 1.00 0.00 O ATOM 787 NE2 GLN 103 69.059 11.525 8.882 1.00 0.00 N ATOM 788 H GLN 103 70.752 9.105 5.154 1.00 0.00 H ATOM 789 HA GLN 103 70.570 11.504 3.527 1.00 0.00 H ATOM 790 1HB GLN 103 69.683 12.447 5.653 1.00 0.00 H ATOM 791 2HB GLN 103 68.939 10.900 5.264 1.00 0.00 H ATOM 792 1HG GLN 103 69.816 9.884 7.095 1.00 0.00 H ATOM 793 2HG GLN 103 71.390 10.647 6.876 1.00 0.00 H ATOM 794 1HE2 GLN 103 68.845 12.154 9.602 1.00 0.00 H ATOM 795 2HE2 GLN 103 68.566 10.682 8.804 1.00 0.00 H ATOM 796 N GLU 104 73.218 11.785 3.979 1.00 0.00 N ATOM 797 CA GLU 104 74.543 12.433 4.262 1.00 0.00 C ATOM 798 C GLU 104 75.115 11.926 5.593 1.00 0.00 C ATOM 799 O GLU 104 75.275 12.677 6.538 1.00 0.00 O ATOM 800 CB GLU 104 74.259 13.938 4.332 1.00 0.00 C ATOM 801 CG GLU 104 75.569 14.712 4.172 1.00 0.00 C ATOM 802 CD GLU 104 75.476 16.037 4.931 1.00 0.00 C ATOM 803 OE1 GLU 104 75.673 16.022 6.134 1.00 0.00 O ATOM 804 OE2 GLU 104 75.208 17.043 4.295 1.00 0.00 O ATOM 805 H GLU 104 73.083 11.313 3.130 1.00 0.00 H ATOM 806 HA GLU 104 75.234 12.229 3.460 1.00 0.00 H ATOM 807 1HB GLU 104 73.579 14.213 3.539 1.00 0.00 H ATOM 808 2HB GLU 104 73.816 14.178 5.286 1.00 0.00 H ATOM 809 1HG GLU 104 76.385 14.125 4.569 1.00 0.00 H ATOM 810 2HG GLU 104 75.745 14.911 3.125 1.00 0.00 H ATOM 811 N HIS 105 75.423 10.656 5.667 1.00 0.00 N ATOM 812 CA HIS 105 75.985 10.087 6.929 1.00 0.00 C ATOM 813 C HIS 105 77.390 9.530 6.677 1.00 0.00 C ATOM 814 O HIS 105 78.063 9.923 5.743 1.00 0.00 O ATOM 815 CB HIS 105 75.021 8.963 7.317 1.00 0.00 C ATOM 816 CG HIS 105 74.872 8.920 8.814 1.00 0.00 C ATOM 817 ND1 HIS 105 73.786 8.319 9.431 1.00 0.00 N ATOM 818 CD2 HIS 105 75.662 9.398 9.829 1.00 0.00 C ATOM 819 CE1 HIS 105 73.951 8.450 10.760 1.00 0.00 C ATOM 820 NE2 HIS 105 75.079 9.100 11.057 1.00 0.00 N ATOM 821 H HIS 105 75.284 10.075 4.891 1.00 0.00 H ATOM 822 HA HIS 105 76.009 10.837 7.703 1.00 0.00 H ATOM 823 1HB HIS 105 74.057 9.145 6.865 1.00 0.00 H ATOM 824 2HB HIS 105 75.409 8.019 6.968 1.00 0.00 H ATOM 825 HD1 HIS 105 73.034 7.879 8.981 1.00 0.00 H ATOM 826 HD2 HIS 105 76.595 9.925 9.696 1.00 0.00 H ATOM 827 HE1 HIS 105 73.256 8.074 11.497 1.00 0.00 H ATOM 828 N LYS 106 77.835 8.618 7.506 1.00 0.00 N ATOM 829 CA LYS 106 79.199 8.032 7.320 1.00 0.00 C ATOM 830 C LYS 106 79.269 7.265 5.995 1.00 0.00 C ATOM 831 O LYS 106 79.836 7.736 5.027 1.00 0.00 O ATOM 832 CB LYS 106 79.397 7.082 8.506 1.00 0.00 C ATOM 833 CG LYS 106 80.139 7.812 9.627 1.00 0.00 C ATOM 834 CD LYS 106 80.849 6.791 10.519 1.00 0.00 C ATOM 835 CE LYS 106 82.281 6.585 10.020 1.00 0.00 C ATOM 836 NZ LYS 106 82.866 5.571 10.940 1.00 0.00 N ATOM 837 H LYS 106 77.271 8.321 8.251 1.00 0.00 H ATOM 838 HA LYS 106 79.947 8.809 7.343 1.00 0.00 H ATOM 839 1HB LYS 106 78.433 6.752 8.866 1.00 0.00 H ATOM 840 2HB LYS 106 79.976 6.228 8.190 1.00 0.00 H ATOM 841 1HG LYS 106 80.867 8.485 9.198 1.00 0.00 H ATOM 842 2HG LYS 106 79.433 8.375 10.220 1.00 0.00 H ATOM 843 1HD LYS 106 80.870 7.155 11.536 1.00 0.00 H ATOM 844 2HD LYS 106 80.319 5.851 10.483 1.00 0.00 H ATOM 845 1HE LYS 106 82.274 6.216 9.003 1.00 0.00 H ATOM 846 2HE LYS 106 82.838 7.507 10.083 1.00 0.00 H ATOM 847 1HZ LYS 106 82.769 5.896 11.922 1.00 0.00 H ATOM 848 2HZ LYS 106 82.364 4.668 10.825 1.00 0.00 H ATOM 849 3HZ LYS 106 83.874 5.440 10.715 1.00 0.00 H ATOM 850 N GLY 107 78.696 6.087 5.946 1.00 0.00 N ATOM 851 CA GLY 107 78.726 5.286 4.686 1.00 0.00 C ATOM 852 C GLY 107 77.845 4.045 4.842 1.00 0.00 C ATOM 853 O GLY 107 78.141 2.994 4.307 1.00 0.00 O ATOM 854 H GLY 107 78.247 5.731 6.740 1.00 0.00 H ATOM 855 1HA GLY 107 78.358 5.890 3.869 1.00 0.00 H ATOM 856 2HA GLY 107 79.740 4.979 4.479 1.00 0.00 H ATOM 857 N LYS 108 76.763 4.161 5.571 1.00 0.00 N ATOM 858 CA LYS 108 75.855 2.991 5.766 1.00 0.00 C ATOM 859 C LYS 108 74.392 3.426 5.626 1.00 0.00 C ATOM 860 O LYS 108 74.010 4.493 6.068 1.00 0.00 O ATOM 861 CB LYS 108 76.142 2.492 7.187 1.00 0.00 C ATOM 862 CG LYS 108 75.874 3.610 8.202 1.00 0.00 C ATOM 863 CD LYS 108 76.049 3.064 9.621 1.00 0.00 C ATOM 864 CE LYS 108 75.272 3.941 10.605 1.00 0.00 C ATOM 865 NZ LYS 108 73.949 3.273 10.753 1.00 0.00 N ATOM 866 H LYS 108 76.548 5.019 5.990 1.00 0.00 H ATOM 867 HA LYS 108 76.085 2.216 5.052 1.00 0.00 H ATOM 868 1HB LYS 108 75.504 1.648 7.406 1.00 0.00 H ATOM 869 2HB LYS 108 77.175 2.188 7.257 1.00 0.00 H ATOM 870 1HG LYS 108 76.571 4.419 8.037 1.00 0.00 H ATOM 871 2HG LYS 108 74.865 3.973 8.080 1.00 0.00 H ATOM 872 1HD LYS 108 75.675 2.052 9.665 1.00 0.00 H ATOM 873 2HD LYS 108 77.096 3.073 9.883 1.00 0.00 H ATOM 874 1HE LYS 108 75.784 3.982 11.556 1.00 0.00 H ATOM 875 2HE LYS 108 75.142 4.934 10.203 1.00 0.00 H ATOM 876 1HZ LYS 108 73.483 3.216 9.825 1.00 0.00 H ATOM 877 2HZ LYS 108 74.084 2.314 11.130 1.00 0.00 H ATOM 878 3HZ LYS 108 73.354 3.823 11.407 1.00 0.00 H ATOM 879 N LYS 109 73.573 2.605 5.016 1.00 0.00 N ATOM 880 CA LYS 109 72.128 2.963 4.843 1.00 0.00 C ATOM 881 C LYS 109 71.477 3.223 6.207 1.00 0.00 C ATOM 882 O LYS 109 71.866 2.650 7.207 1.00 0.00 O ATOM 883 CB LYS 109 71.483 1.749 4.161 1.00 0.00 C ATOM 884 CG LYS 109 71.682 0.490 5.021 1.00 0.00 C ATOM 885 CD LYS 109 72.677 -0.455 4.339 1.00 0.00 C ATOM 886 CE LYS 109 73.518 -1.168 5.402 1.00 0.00 C ATOM 887 NZ LYS 109 73.630 -2.574 4.923 1.00 0.00 N ATOM 888 H LYS 109 73.909 1.751 4.671 1.00 0.00 H ATOM 889 HA LYS 109 72.030 3.832 4.211 1.00 0.00 H ATOM 890 1HB LYS 109 70.426 1.931 4.035 1.00 0.00 H ATOM 891 2HB LYS 109 71.938 1.600 3.193 1.00 0.00 H ATOM 892 1HG LYS 109 72.062 0.771 5.993 1.00 0.00 H ATOM 893 2HG LYS 109 70.736 -0.016 5.139 1.00 0.00 H ATOM 894 1HD LYS 109 72.136 -1.187 3.757 1.00 0.00 H ATOM 895 2HD LYS 109 73.327 0.113 3.691 1.00 0.00 H ATOM 896 1HE LYS 109 74.496 -0.713 5.473 1.00 0.00 H ATOM 897 2HE LYS 109 73.019 -1.142 6.358 1.00 0.00 H ATOM 898 1HZ LYS 109 72.684 -2.941 4.699 1.00 0.00 H ATOM 899 2HZ LYS 109 74.222 -2.604 4.070 1.00 0.00 H ATOM 900 3HZ LYS 109 74.063 -3.159 5.667 1.00 0.00 H ATOM 901 N ALA 110 70.493 4.085 6.250 1.00 0.00 N ATOM 902 CA ALA 110 69.815 4.388 7.545 1.00 0.00 C ATOM 903 C ALA 110 68.639 3.431 7.762 1.00 0.00 C ATOM 904 O ALA 110 68.003 2.993 6.822 1.00 0.00 O ATOM 905 CB ALA 110 69.321 5.830 7.409 1.00 0.00 C ATOM 906 H ALA 110 70.201 4.533 5.429 1.00 0.00 H ATOM 907 HA ALA 110 70.516 4.315 8.361 1.00 0.00 H ATOM 908 1HB ALA 110 69.343 6.122 6.369 1.00 0.00 H ATOM 909 2HB ALA 110 68.310 5.902 7.782 1.00 0.00 H ATOM 910 3HB ALA 110 69.963 6.485 7.979 1.00 0.00 H ATOM 911 N ARG 111 68.350 3.105 8.996 1.00 0.00 N ATOM 912 CA ARG 111 67.216 2.173 9.286 1.00 0.00 C ATOM 913 C ARG 111 65.878 2.865 9.018 1.00 0.00 C ATOM 914 O ARG 111 65.807 4.074 8.899 1.00 0.00 O ATOM 915 CB ARG 111 67.349 1.825 10.774 1.00 0.00 C ATOM 916 CG ARG 111 67.186 0.314 10.973 1.00 0.00 C ATOM 917 CD ARG 111 68.564 -0.338 11.120 1.00 0.00 C ATOM 918 NE ARG 111 68.806 -0.411 12.595 1.00 0.00 N ATOM 919 CZ ARG 111 69.702 -1.233 13.106 1.00 0.00 C ATOM 920 NH1 ARG 111 70.424 -2.023 12.345 1.00 0.00 N ATOM 921 NH2 ARG 111 69.876 -1.262 14.399 1.00 0.00 N ATOM 922 H ARG 111 68.881 3.473 9.734 1.00 0.00 H ATOM 923 HA ARG 111 67.303 1.279 8.688 1.00 0.00 H ATOM 924 1HB ARG 111 68.321 2.134 11.129 1.00 0.00 H ATOM 925 2HB ARG 111 66.582 2.342 11.334 1.00 0.00 H ATOM 926 1HG ARG 111 66.604 0.130 11.864 1.00 0.00 H ATOM 927 2HG ARG 111 66.680 -0.111 10.119 1.00 0.00 H ATOM 928 1HD ARG 111 68.557 -1.330 10.689 1.00 0.00 H ATOM 929 2HD ARG 111 69.321 0.271 10.652 1.00 0.00 H ATOM 930 HE ARG 111 68.288 0.165 13.196 1.00 0.00 H ATOM 931 1HH1 ARG 111 70.308 -2.016 11.353 1.00 0.00 H ATOM 932 2HH1 ARG 111 71.096 -2.636 12.762 1.00 0.00 H ATOM 933 1HH2 ARG 111 69.333 -0.665 14.990 1.00 0.00 H ATOM 934 2HH2 ARG 111 70.552 -1.881 14.799 1.00 0.00 H ATOM 935 N LEU 112 64.818 2.104 8.930 1.00 0.00 N ATOM 936 CA LEU 112 63.475 2.706 8.679 1.00 0.00 C ATOM 937 C LEU 112 62.385 1.844 9.321 1.00 0.00 C ATOM 938 O LEU 112 62.461 0.629 9.317 1.00 0.00 O ATOM 939 CB LEU 112 63.316 2.724 7.151 1.00 0.00 C ATOM 940 CG LEU 112 62.876 4.117 6.682 1.00 0.00 C ATOM 941 CD1 LEU 112 62.697 4.106 5.164 1.00 0.00 C ATOM 942 CD2 LEU 112 61.544 4.495 7.341 1.00 0.00 C ATOM 943 H LEU 112 64.905 1.134 9.036 1.00 0.00 H ATOM 944 HA LEU 112 63.436 3.711 9.067 1.00 0.00 H ATOM 945 1HB LEU 112 64.260 2.474 6.690 1.00 0.00 H ATOM 946 2HB LEU 112 62.572 1.998 6.856 1.00 0.00 H ATOM 947 HG LEU 112 63.632 4.841 6.950 1.00 0.00 H ATOM 948 1HD1 LEU 112 63.411 3.426 4.723 1.00 0.00 H ATOM 949 2HD1 LEU 112 61.696 3.782 4.923 1.00 0.00 H ATOM 950 3HD1 LEU 112 62.858 5.100 4.775 1.00 0.00 H ATOM 951 1HD2 LEU 112 60.861 3.661 7.276 1.00 0.00 H ATOM 952 2HD2 LEU 112 61.714 4.740 8.379 1.00 0.00 H ATOM 953 3HD2 LEU 112 61.121 5.349 6.834 1.00 0.00 H ATOM 954 N ASP 113 61.370 2.465 9.865 1.00 0.00 N ATOM 955 CA ASP 113 60.266 1.687 10.503 1.00 0.00 C ATOM 956 C ASP 113 59.462 0.944 9.430 1.00 0.00 C ATOM 957 O ASP 113 59.586 1.219 8.251 1.00 0.00 O ATOM 958 CB ASP 113 59.392 2.727 11.216 1.00 0.00 C ATOM 959 CG ASP 113 58.880 3.764 10.210 1.00 0.00 C ATOM 960 OD1 ASP 113 59.673 4.587 9.783 1.00 0.00 O ATOM 961 OD2 ASP 113 57.706 3.714 9.884 1.00 0.00 O ATOM 962 H ASP 113 61.331 3.444 9.849 1.00 0.00 H ATOM 963 HA ASP 113 60.666 0.989 11.221 1.00 0.00 H ATOM 964 1HB ASP 113 58.553 2.232 11.678 1.00 0.00 H ATOM 965 2HB ASP 113 59.977 3.226 11.975 1.00 0.00 H ATOM 966 N TRP 114 58.642 0.008 9.832 1.00 0.00 N ATOM 967 CA TRP 114 57.827 -0.758 8.841 1.00 0.00 C ATOM 968 C TRP 114 56.429 -0.142 8.720 1.00 0.00 C ATOM 969 O TRP 114 55.454 -0.841 8.513 1.00 0.00 O ATOM 970 CB TRP 114 57.739 -2.181 9.412 1.00 0.00 C ATOM 971 CG TRP 114 58.571 -3.116 8.590 1.00 0.00 C ATOM 972 CD1 TRP 114 59.665 -3.776 9.035 1.00 0.00 C ATOM 973 CD2 TRP 114 58.394 -3.507 7.198 1.00 0.00 C ATOM 974 NE1 TRP 114 60.171 -4.547 8.004 1.00 0.00 N ATOM 975 CE2 TRP 114 59.422 -4.415 6.851 1.00 0.00 C ATOM 976 CE3 TRP 114 57.451 -3.166 6.210 1.00 0.00 C ATOM 977 CZ2 TRP 114 59.512 -4.966 5.573 1.00 0.00 C ATOM 978 CZ3 TRP 114 57.539 -3.719 4.922 1.00 0.00 C ATOM 979 CH2 TRP 114 58.568 -4.617 4.604 1.00 0.00 C ATOM 980 H TRP 114 58.562 -0.193 10.788 1.00 0.00 H ATOM 981 HA TRP 114 58.316 -0.771 7.880 1.00 0.00 H ATOM 982 1HB TRP 114 58.101 -2.183 10.430 1.00 0.00 H ATOM 983 2HB TRP 114 56.711 -2.512 9.398 1.00 0.00 H ATOM 984 HD1 TRP 114 60.076 -3.711 10.031 1.00 0.00 H ATOM 985 HE1 TRP 114 60.962 -5.123 8.064 1.00 0.00 H ATOM 986 HE3 TRP 114 56.654 -2.474 6.444 1.00 0.00 H ATOM 987 HZ2 TRP 114 60.307 -5.658 5.333 1.00 0.00 H ATOM 988 HZ3 TRP 114 56.811 -3.450 4.172 1.00 0.00 H ATOM 989 HH2 TRP 114 58.630 -5.038 3.612 1.00 0.00 H ATOM 990 N ASN 115 56.324 1.158 8.852 1.00 0.00 N ATOM 991 CA ASN 115 54.986 1.813 8.748 1.00 0.00 C ATOM 992 C ASN 115 55.125 3.293 8.371 1.00 0.00 C ATOM 993 O ASN 115 54.237 4.084 8.631 1.00 0.00 O ATOM 994 CB ASN 115 54.372 1.674 10.141 1.00 0.00 C ATOM 995 CG ASN 115 53.507 0.413 10.195 1.00 0.00 C ATOM 996 OD1 ASN 115 53.934 -0.610 10.692 1.00 0.00 O ATOM 997 ND2 ASN 115 52.299 0.443 9.701 1.00 0.00 N ATOM 998 H ASN 115 57.122 1.699 9.022 1.00 0.00 H ATOM 999 HA ASN 115 54.372 1.299 8.026 1.00 0.00 H ATOM 1000 1HB ASN 115 55.161 1.602 10.876 1.00 0.00 H ATOM 1001 2HB ASN 115 53.759 2.537 10.353 1.00 0.00 H ATOM 1002 1HD2 ASN 115 51.738 -0.359 9.731 1.00 0.00 H ATOM 1003 2HD2 ASN 115 51.955 1.268 9.301 1.00 0.00 H ATOM 1004 N THR 116 56.220 3.673 7.756 1.00 0.00 N ATOM 1005 CA THR 116 56.391 5.105 7.362 1.00 0.00 C ATOM 1006 C THR 116 55.535 5.406 6.126 1.00 0.00 C ATOM 1007 O THR 116 55.131 4.508 5.412 1.00 0.00 O ATOM 1008 CB THR 116 57.889 5.285 7.069 1.00 0.00 C ATOM 1009 OG1 THR 116 58.144 6.647 6.758 1.00 0.00 O ATOM 1010 CG2 THR 116 58.318 4.408 5.889 1.00 0.00 C ATOM 1011 H THR 116 56.920 3.020 7.550 1.00 0.00 H ATOM 1012 HA THR 116 56.099 5.749 8.178 1.00 0.00 H ATOM 1013 HB THR 116 58.459 5.006 7.942 1.00 0.00 H ATOM 1014 HG1 THR 116 57.789 7.186 7.469 1.00 0.00 H ATOM 1015 1HG2 THR 116 57.623 4.537 5.073 1.00 0.00 H ATOM 1016 2HG2 THR 116 59.309 4.699 5.567 1.00 0.00 H ATOM 1017 3HG2 THR 116 58.328 3.373 6.194 1.00 0.00 H ATOM 1018 N ASP 117 55.248 6.658 5.880 1.00 0.00 N ATOM 1019 CA ASP 117 54.405 7.019 4.700 1.00 0.00 C ATOM 1020 C ASP 117 55.274 7.247 3.461 1.00 0.00 C ATOM 1021 O ASP 117 56.066 8.170 3.409 1.00 0.00 O ATOM 1022 CB ASP 117 53.698 8.313 5.103 1.00 0.00 C ATOM 1023 CG ASP 117 52.353 7.980 5.751 1.00 0.00 C ATOM 1024 OD1 ASP 117 51.538 7.358 5.091 1.00 0.00 O ATOM 1025 OD2 ASP 117 52.161 8.354 6.896 1.00 0.00 O ATOM 1026 H ASP 117 55.579 7.361 6.477 1.00 0.00 H ATOM 1027 HA ASP 117 53.676 6.248 4.510 1.00 0.00 H ATOM 1028 1HB ASP 117 54.314 8.855 5.806 1.00 0.00 H ATOM 1029 2HB ASP 117 53.532 8.921 4.226 1.00 0.00 H ATOM 1030 N ALA 118 55.120 6.419 2.458 1.00 0.00 N ATOM 1031 CA ALA 118 55.923 6.590 1.209 1.00 0.00 C ATOM 1032 C ALA 118 55.412 7.803 0.427 1.00 0.00 C ATOM 1033 O ALA 118 56.151 8.437 -0.303 1.00 0.00 O ATOM 1034 CB ALA 118 55.709 5.305 0.408 1.00 0.00 C ATOM 1035 H ALA 118 54.467 5.690 2.524 1.00 0.00 H ATOM 1036 HA ALA 118 56.969 6.708 1.447 1.00 0.00 H ATOM 1037 1HB ALA 118 55.892 4.450 1.041 1.00 0.00 H ATOM 1038 2HB ALA 118 54.693 5.273 0.043 1.00 0.00 H ATOM 1039 3HB ALA 118 56.393 5.287 -0.429 1.00 0.00 H ATOM 1040 N ALA 119 54.153 8.135 0.585 1.00 0.00 N ATOM 1041 CA ALA 119 53.587 9.317 -0.137 1.00 0.00 C ATOM 1042 C ALA 119 54.220 10.619 0.376 1.00 0.00 C ATOM 1043 O ALA 119 54.078 11.664 -0.232 1.00 0.00 O ATOM 1044 CB ALA 119 52.091 9.290 0.159 1.00 0.00 C ATOM 1045 H ALA 119 53.583 7.611 1.185 1.00 0.00 H ATOM 1046 HA ALA 119 53.751 9.217 -1.199 1.00 0.00 H ATOM 1047 1HB ALA 119 51.713 8.291 -0.008 1.00 0.00 H ATOM 1048 2HB ALA 119 51.921 9.574 1.186 1.00 0.00 H ATOM 1049 3HB ALA 119 51.585 9.983 -0.497 1.00 0.00 H ATOM 1050 N SER 120 54.930 10.564 1.478 1.00 0.00 N ATOM 1051 CA SER 120 55.594 11.788 2.011 1.00 0.00 C ATOM 1052 C SER 120 57.108 11.689 1.777 1.00 0.00 C ATOM 1053 O SER 120 57.808 12.684 1.762 1.00 0.00 O ATOM 1054 CB SER 120 55.273 11.803 3.505 1.00 0.00 C ATOM 1055 OG SER 120 55.088 13.146 3.932 1.00 0.00 O ATOM 1056 H SER 120 55.041 9.716 1.950 1.00 0.00 H ATOM 1057 HA SER 120 55.196 12.670 1.533 1.00 0.00 H ATOM 1058 1HB SER 120 54.370 11.245 3.687 1.00 0.00 H ATOM 1059 2HB SER 120 56.090 11.350 4.051 1.00 0.00 H ATOM 1060 HG SER 120 54.526 13.135 4.710 1.00 0.00 H ATOM 1061 N LEU 121 57.611 10.492 1.580 1.00 0.00 N ATOM 1062 CA LEU 121 59.069 10.310 1.329 1.00 0.00 C ATOM 1063 C LEU 121 59.370 10.407 -0.174 1.00 0.00 C ATOM 1064 O LEU 121 60.517 10.473 -0.571 1.00 0.00 O ATOM 1065 CB LEU 121 59.371 8.903 1.834 1.00 0.00 C ATOM 1066 CG LEU 121 60.863 8.777 2.141 1.00 0.00 C ATOM 1067 CD1 LEU 121 61.219 9.682 3.323 1.00 0.00 C ATOM 1068 CD2 LEU 121 61.188 7.325 2.496 1.00 0.00 C ATOM 1069 H LEU 121 57.027 9.709 1.588 1.00 0.00 H ATOM 1070 HA LEU 121 59.645 11.034 1.882 1.00 0.00 H ATOM 1071 1HB LEU 121 58.799 8.713 2.730 1.00 0.00 H ATOM 1072 2HB LEU 121 59.098 8.187 1.074 1.00 0.00 H ATOM 1073 HG LEU 121 61.436 9.075 1.275 1.00 0.00 H ATOM 1074 1HD1 LEU 121 60.344 9.830 3.938 1.00 0.00 H ATOM 1075 2HD1 LEU 121 61.998 9.219 3.910 1.00 0.00 H ATOM 1076 3HD1 LEU 121 61.565 10.636 2.954 1.00 0.00 H ATOM 1077 1HD2 LEU 121 60.308 6.848 2.903 1.00 0.00 H ATOM 1078 2HD2 LEU 121 61.504 6.799 1.608 1.00 0.00 H ATOM 1079 3HD2 LEU 121 61.981 7.302 3.229 1.00 0.00 H ATOM 1080 N ILE 122 58.345 10.412 -1.012 1.00 0.00 N ATOM 1081 CA ILE 122 58.543 10.509 -2.509 1.00 0.00 C ATOM 1082 C ILE 122 59.610 11.574 -2.834 1.00 0.00 C ATOM 1083 O ILE 122 59.783 12.535 -2.109 1.00 0.00 O ATOM 1084 CB ILE 122 57.133 10.825 -3.143 1.00 0.00 C ATOM 1085 CG1 ILE 122 57.273 11.572 -4.500 1.00 0.00 C ATOM 1086 CG2 ILE 122 56.212 11.635 -2.197 1.00 0.00 C ATOM 1087 CD1 ILE 122 57.547 13.069 -4.282 1.00 0.00 C ATOM 1088 H ILE 122 57.444 10.348 -0.656 1.00 0.00 H ATOM 1089 HA ILE 122 58.886 9.550 -2.882 1.00 0.00 H ATOM 1090 HB ILE 122 56.646 9.878 -3.334 1.00 0.00 H ATOM 1091 1HG1 ILE 122 58.091 11.143 -5.058 1.00 0.00 H ATOM 1092 2HG1 ILE 122 56.360 11.456 -5.064 1.00 0.00 H ATOM 1093 1HG2 ILE 122 56.803 12.112 -1.430 1.00 0.00 H ATOM 1094 2HG2 ILE 122 55.682 12.387 -2.763 1.00 0.00 H ATOM 1095 3HG2 ILE 122 55.501 10.964 -1.738 1.00 0.00 H ATOM 1096 1HD1 ILE 122 57.795 13.234 -3.241 1.00 0.00 H ATOM 1097 2HD1 ILE 122 58.372 13.380 -4.904 1.00 0.00 H ATOM 1098 3HD1 ILE 122 56.665 13.638 -4.537 1.00 0.00 H ATOM 1099 N GLY 123 60.342 11.372 -3.896 1.00 0.00 N ATOM 1100 CA GLY 123 61.427 12.327 -4.257 1.00 0.00 C ATOM 1101 C GLY 123 62.759 11.692 -3.856 1.00 0.00 C ATOM 1102 O GLY 123 63.766 11.856 -4.518 1.00 0.00 O ATOM 1103 H GLY 123 60.197 10.571 -4.442 1.00 0.00 H ATOM 1104 1HA GLY 123 61.412 12.511 -5.322 1.00 0.00 H ATOM 1105 2HA GLY 123 61.294 13.254 -3.722 1.00 0.00 H ATOM 1106 N GLU 124 62.754 10.946 -2.778 1.00 0.00 N ATOM 1107 CA GLU 124 63.994 10.263 -2.316 1.00 0.00 C ATOM 1108 C GLU 124 63.954 8.796 -2.753 1.00 0.00 C ATOM 1109 O GLU 124 63.142 8.411 -3.579 1.00 0.00 O ATOM 1110 CB GLU 124 63.963 10.374 -0.791 1.00 0.00 C ATOM 1111 CG GLU 124 64.791 11.582 -0.349 1.00 0.00 C ATOM 1112 CD GLU 124 64.655 11.770 1.163 1.00 0.00 C ATOM 1113 OE1 GLU 124 65.266 11.005 1.891 1.00 0.00 O ATOM 1114 OE2 GLU 124 63.944 12.675 1.566 1.00 0.00 O ATOM 1115 H GLU 124 61.921 10.824 -2.278 1.00 0.00 H ATOM 1116 HA GLU 124 64.869 10.755 -2.709 1.00 0.00 H ATOM 1117 1HB GLU 124 62.941 10.495 -0.460 1.00 0.00 H ATOM 1118 2HB GLU 124 64.378 9.477 -0.356 1.00 0.00 H ATOM 1119 1HG GLU 124 65.829 11.419 -0.602 1.00 0.00 H ATOM 1120 2HG GLU 124 64.433 12.467 -0.853 1.00 0.00 H ATOM 1121 N GLU 125 64.818 7.972 -2.212 1.00 0.00 N ATOM 1122 CA GLU 125 64.816 6.531 -2.615 1.00 0.00 C ATOM 1123 C GLU 125 64.960 5.623 -1.391 1.00 0.00 C ATOM 1124 O GLU 125 65.884 5.754 -0.611 1.00 0.00 O ATOM 1125 CB GLU 125 66.022 6.348 -3.553 1.00 0.00 C ATOM 1126 CG GLU 125 66.048 7.443 -4.628 1.00 0.00 C ATOM 1127 CD GLU 125 67.058 7.070 -5.716 1.00 0.00 C ATOM 1128 OE1 GLU 125 68.059 6.455 -5.384 1.00 0.00 O ATOM 1129 OE2 GLU 125 66.815 7.406 -6.863 1.00 0.00 O ATOM 1130 H GLU 125 65.463 8.299 -1.551 1.00 0.00 H ATOM 1131 HA GLU 125 63.907 6.296 -3.142 1.00 0.00 H ATOM 1132 1HB GLU 125 66.934 6.392 -2.977 1.00 0.00 H ATOM 1133 2HB GLU 125 65.950 5.383 -4.035 1.00 0.00 H ATOM 1134 1HG GLU 125 65.067 7.541 -5.064 1.00 0.00 H ATOM 1135 2HG GLU 125 66.338 8.381 -4.179 1.00 0.00 H ATOM 1136 N LEU 126 64.056 4.692 -1.235 1.00 0.00 N ATOM 1137 CA LEU 126 64.130 3.748 -0.083 1.00 0.00 C ATOM 1138 C LEU 126 64.839 2.468 -0.532 1.00 0.00 C ATOM 1139 O LEU 126 64.827 2.131 -1.700 1.00 0.00 O ATOM 1140 CB LEU 126 62.671 3.463 0.289 1.00 0.00 C ATOM 1141 CG LEU 126 62.608 2.462 1.456 1.00 0.00 C ATOM 1142 CD1 LEU 126 61.688 3.002 2.552 1.00 0.00 C ATOM 1143 CD2 LEU 126 62.064 1.119 0.958 1.00 0.00 C ATOM 1144 H LEU 126 63.331 4.604 -1.889 1.00 0.00 H ATOM 1145 HA LEU 126 64.647 4.200 0.749 1.00 0.00 H ATOM 1146 1HB LEU 126 62.192 4.388 0.577 1.00 0.00 H ATOM 1147 2HB LEU 126 62.160 3.050 -0.568 1.00 0.00 H ATOM 1148 HG LEU 126 63.597 2.318 1.865 1.00 0.00 H ATOM 1149 1HD1 LEU 126 61.919 4.041 2.737 1.00 0.00 H ATOM 1150 2HD1 LEU 126 60.659 2.913 2.235 1.00 0.00 H ATOM 1151 3HD1 LEU 126 61.836 2.434 3.458 1.00 0.00 H ATOM 1152 1HD2 LEU 126 61.197 1.290 0.338 1.00 0.00 H ATOM 1153 2HD2 LEU 126 62.825 0.614 0.382 1.00 0.00 H ATOM 1154 3HD2 LEU 126 61.788 0.506 1.803 1.00 0.00 H ATOM 1155 N GLN 127 65.462 1.761 0.376 1.00 0.00 N ATOM 1156 CA GLN 127 66.174 0.509 -0.016 1.00 0.00 C ATOM 1157 C GLN 127 65.790 -0.641 0.918 1.00 0.00 C ATOM 1158 O GLN 127 65.381 -0.430 2.044 1.00 0.00 O ATOM 1159 CB GLN 127 67.663 0.840 0.119 1.00 0.00 C ATOM 1160 CG GLN 127 68.492 -0.405 -0.206 1.00 0.00 C ATOM 1161 CD GLN 127 69.790 0.007 -0.903 1.00 0.00 C ATOM 1162 OE1 GLN 127 70.551 0.796 -0.379 1.00 0.00 O ATOM 1163 NE2 GLN 127 70.078 -0.499 -2.071 1.00 0.00 N ATOM 1164 H GLN 127 65.465 2.053 1.312 1.00 0.00 H ATOM 1165 HA GLN 127 65.947 0.253 -1.038 1.00 0.00 H ATOM 1166 1HB GLN 127 67.918 1.634 -0.568 1.00 0.00 H ATOM 1167 2HB GLN 127 67.872 1.155 1.130 1.00 0.00 H ATOM 1168 1HG GLN 127 68.719 -0.929 0.710 1.00 0.00 H ATOM 1169 2HG GLN 127 67.921 -1.052 -0.857 1.00 0.00 H ATOM 1170 1HE2 GLN 127 70.907 -0.241 -2.525 1.00 0.00 H ATOM 1171 2HE2 GLN 127 69.464 -1.135 -2.494 1.00 0.00 H ATOM 1172 N VAL 128 65.919 -1.857 0.447 1.00 0.00 N ATOM 1173 CA VAL 128 65.561 -3.032 1.296 1.00 0.00 C ATOM 1174 C VAL 128 66.518 -4.193 1.021 1.00 0.00 C ATOM 1175 O VAL 128 66.918 -4.424 -0.104 1.00 0.00 O ATOM 1176 CB VAL 128 64.136 -3.400 0.883 1.00 0.00 C ATOM 1177 CG1 VAL 128 63.632 -4.546 1.758 1.00 0.00 C ATOM 1178 CG2 VAL 128 63.227 -2.182 1.064 1.00 0.00 C ATOM 1179 H VAL 128 66.244 -1.996 -0.468 1.00 0.00 H ATOM 1180 HA VAL 128 65.585 -2.763 2.340 1.00 0.00 H ATOM 1181 HB VAL 128 64.127 -3.707 -0.153 1.00 0.00 H ATOM 1182 1HG1 VAL 128 64.473 -5.130 2.103 1.00 0.00 H ATOM 1183 2HG1 VAL 128 63.101 -4.144 2.608 1.00 0.00 H ATOM 1184 3HG1 VAL 128 62.969 -5.175 1.182 1.00 0.00 H ATOM 1185 1HG2 VAL 128 63.349 -1.790 2.062 1.00 0.00 H ATOM 1186 2HG2 VAL 128 63.503 -1.423 0.344 1.00 0.00 H ATOM 1187 3HG2 VAL 128 62.199 -2.471 0.910 1.00 0.00 H ATOM 1188 N ASP 129 66.886 -4.924 2.043 1.00 0.00 N ATOM 1189 CA ASP 129 67.817 -6.075 1.851 1.00 0.00 C ATOM 1190 C ASP 129 67.540 -7.158 2.896 1.00 0.00 C ATOM 1191 O ASP 129 66.579 -7.082 3.639 1.00 0.00 O ATOM 1192 CB ASP 129 69.217 -5.489 2.041 1.00 0.00 C ATOM 1193 CG ASP 129 70.187 -6.158 1.066 1.00 0.00 C ATOM 1194 OD1 ASP 129 70.080 -5.894 -0.120 1.00 0.00 O ATOM 1195 OD2 ASP 129 71.021 -6.923 1.522 1.00 0.00 O ATOM 1196 H ASP 129 66.548 -4.714 2.938 1.00 0.00 H ATOM 1197 HA ASP 129 67.717 -6.478 0.856 1.00 0.00 H ATOM 1198 1HB ASP 129 69.190 -4.426 1.852 1.00 0.00 H ATOM 1199 2HB ASP 129 69.547 -5.668 3.054 1.00 0.00 H ATOM 1200 N PHE 130 68.376 -8.163 2.957 1.00 0.00 N ATOM 1201 CA PHE 130 68.169 -9.257 3.951 1.00 0.00 C ATOM 1202 C PHE 130 68.827 -8.892 5.285 1.00 0.00 C ATOM 1203 O PHE 130 70.038 -8.851 5.398 1.00 0.00 O ATOM 1204 CB PHE 130 68.844 -10.484 3.337 1.00 0.00 C ATOM 1205 CG PHE 130 67.937 -11.088 2.292 1.00 0.00 C ATOM 1206 CD1 PHE 130 66.628 -11.455 2.627 1.00 0.00 C ATOM 1207 CD2 PHE 130 68.405 -11.281 0.986 1.00 0.00 C ATOM 1208 CE1 PHE 130 65.788 -12.015 1.658 1.00 0.00 C ATOM 1209 CE2 PHE 130 67.565 -11.841 0.017 1.00 0.00 C ATOM 1210 CZ PHE 130 66.256 -12.208 0.353 1.00 0.00 C ATOM 1211 H PHE 130 69.141 -8.198 2.346 1.00 0.00 H ATOM 1212 HA PHE 130 67.117 -9.447 4.089 1.00 0.00 H ATOM 1213 1HB PHE 130 69.777 -10.189 2.879 1.00 0.00 H ATOM 1214 2HB PHE 130 69.037 -11.213 4.110 1.00 0.00 H ATOM 1215 HD1 PHE 130 66.267 -11.305 3.634 1.00 0.00 H ATOM 1216 HD2 PHE 130 69.415 -10.998 0.727 1.00 0.00 H ATOM 1217 HE1 PHE 130 64.778 -12.297 1.917 1.00 0.00 H ATOM 1218 HE2 PHE 130 67.926 -11.990 -0.990 1.00 0.00 H ATOM 1219 HZ PHE 130 65.607 -12.640 -0.395 1.00 0.00 H ATOM 1220 N LEU 131 68.034 -8.628 6.292 1.00 0.00 N ATOM 1221 CA LEU 131 68.606 -8.263 7.625 1.00 0.00 C ATOM 1222 C LEU 131 69.418 -9.432 8.193 1.00 0.00 C ATOM 1223 O LEU 131 70.001 -9.264 9.251 1.00 0.00 O ATOM 1224 CB LEU 131 67.396 -7.955 8.519 1.00 0.00 C ATOM 1225 CG LEU 131 66.482 -9.184 8.610 1.00 0.00 C ATOM 1226 CD1 LEU 131 66.812 -9.973 9.878 1.00 0.00 C ATOM 1227 CD2 LEU 131 65.021 -8.730 8.660 1.00 0.00 C ATOM 1228 OXT LEU 131 69.442 -10.474 7.558 1.00 0.00 O ATOM 1229 H LEU 131 67.062 -8.669 6.170 1.00 0.00 H ATOM 1230 HA LEU 131 69.227 -7.386 7.536 1.00 0.00 H ATOM 1231 1HB LEU 131 67.741 -7.689 9.507 1.00 0.00 H ATOM 1232 2HB LEU 131 66.843 -7.129 8.098 1.00 0.00 H ATOM 1233 HG LEU 131 66.636 -9.813 7.746 1.00 0.00 H ATOM 1234 1HD1 LEU 131 67.047 -9.288 10.678 1.00 0.00 H ATOM 1235 2HD1 LEU 131 65.960 -10.576 10.158 1.00 0.00 H ATOM 1236 3HD1 LEU 131 67.661 -10.615 9.692 1.00 0.00 H ATOM 1237 1HD2 LEU 131 64.824 -8.057 7.839 1.00 0.00 H ATOM 1238 2HD2 LEU 131 64.374 -9.592 8.583 1.00 0.00 H ATOM 1239 3HD2 LEU 131 64.833 -8.222 9.595 1.00 0.00 H TER 1240 LEU 131 MASTER 65 0 0 2 5 0 0 6 1239 1 0 9 END