Browse entries in the PDBbind-CN Database
HEADER 6C4U_COMPLEX COMPND 6C4U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 F 126 ASN ILE VAL PHE ARG VAL ILE SER THR THR GLY GLN ILE SEQRES 2 F 126 PRO ILE ARG ASP PHE SER ALA ASP ILE SER GLN VAL LEU SEQRES 3 F 126 LYS GLU LYS ARG SER ILE LYS LYS VAL TRP THR PHE GLY SEQRES 4 F 126 ARG ASN PRO ALA CYS ASP TYR HIS LEU GLY ASN ILE LEU SEQRES 5 F 126 PRO VAL SER ASN LYS HIS PHE GLN ILE LEU LEU GLY GLU SEQRES 6 F 126 ASP GLY ASN LEU LEU LEU ASN ASP ILE SER THR ASN GLY SEQRES 7 F 126 THR TRP LEU ASN GLY GLN LYS VAL GLU LYS ASN SER TYR SEQRES 8 F 126 GLN LEU LEU SER GLN GLY ASP GLU ILE THR VAL ARG THR SEQRES 9 F 126 ASP PRO THR GLY THR ILE LEU SER LEU VAL ILE PHE ILE SEQRES 10 F 126 ASN ASP LYS PHE LYS GLN SER LEU GLU HET LEU A 133 100 ATOM 1 N ASN F 31 53.925 -20.028 -2.290 1.00101.81 N ATOM 2 CA ASN F 31 53.678 -19.483 -3.649 1.00107.52 C ATOM 3 C ASN F 31 54.876 -18.620 -4.028 1.00132.54 C ATOM 4 O ASN F 31 55.403 -17.829 -3.242 1.00136.17 O ATOM 5 CB ASN F 31 52.475 -18.563 -3.702 1.00101.56 C ATOM 6 CG ASN F 31 51.820 -18.524 -5.098 1.00105.43 C ATOM 7 OD1 ASN F 31 51.652 -19.574 -5.732 1.00 97.26 O ATOM 8 ND2 ASN F 31 51.329 -17.323 -5.545 1.00 93.27 N ATOM 9 HD22 ASN F 31 51.487 -16.458 -4.990 1.00 0.00 H ATOM 10 HD21 ASN F 31 50.799 -17.278 -6.439 1.00 0.00 H ATOM 11 HN3 ASN F 31 54.033 -19.242 -1.617 1.00 0.00 H ATOM 12 HN2 ASN F 31 54.794 -20.599 -2.300 1.00 0.00 H ATOM 13 HN1 ASN F 31 53.121 -20.623 -2.005 1.00 0.00 H ATOM 14 N ILE F 32 55.279 -18.734 -5.296 1.00142.64 N ATOM 15 CA ILE F 32 56.377 -18.082 -5.865 1.00119.13 C ATOM 16 C ILE F 32 56.185 -16.645 -6.232 1.00101.82 C ATOM 17 O ILE F 32 55.257 -16.334 -6.946 1.00 92.72 O ATOM 18 CB ILE F 32 56.872 -18.939 -7.071 1.00131.07 C ATOM 19 CG1 ILE F 32 58.315 -18.671 -7.150 1.00134.16 C ATOM 20 CG2 ILE F 32 56.033 -19.034 -8.391 1.00139.50 C ATOM 21 CD1 ILE F 32 58.997 -19.417 -6.002 1.00127.81 C ATOM 22 H ILE F 32 54.728 -19.363 -5.914 1.00 0.00 H ATOM 23 N VAL F 33 57.089 -15.768 -5.825 1.00 86.58 N ATOM 24 CA VAL F 33 56.945 -14.340 -6.160 1.00 85.10 C ATOM 25 C VAL F 33 57.483 -14.057 -7.547 1.00 82.38 C ATOM 26 O VAL F 33 56.825 -13.356 -8.344 1.00 89.55 O ATOM 27 CB VAL F 33 57.680 -13.439 -5.154 1.00 88.36 C ATOM 28 CG1 VAL F 33 57.477 -11.965 -5.516 1.00 83.03 C ATOM 29 CG2 VAL F 33 57.215 -13.738 -3.728 1.00 95.20 C ATOM 30 H VAL F 33 57.905 -16.088 -5.266 1.00 0.00 H ATOM 31 N PHE F 34 58.692 -14.555 -7.799 1.00 78.81 N ATOM 32 CA PHE F 34 59.376 -14.364 -9.074 1.00 75.17 C ATOM 33 C PHE F 34 60.448 -15.424 -9.263 1.00 75.28 C ATOM 34 O PHE F 34 60.808 -16.150 -8.333 1.00 73.93 O ATOM 35 CB PHE F 34 59.987 -12.955 -9.194 1.00 73.14 C ATOM 36 CG PHE F 34 61.208 -12.727 -8.326 1.00 75.68 C ATOM 37 CD1 PHE F 34 61.084 -12.497 -6.958 1.00 79.69 C ATOM 38 CD2 PHE F 34 62.476 -12.710 -8.877 1.00 79.31 C ATOM 39 CE1 PHE F 34 62.212 -12.307 -6.161 1.00 83.94 C ATOM 40 CE2 PHE F 34 63.596 -12.514 -8.079 1.00 88.33 C ATOM 41 CZ PHE F 34 63.468 -12.329 -6.734 1.00 83.74 C ATOM 42 H PHE F 34 59.169 -15.104 -7.055 1.00 0.00 H ATOM 43 N ARG F 35 60.957 -15.477 -10.489 1.00 83.37 N ATOM 44 CA ARG F 35 61.890 -16.500 -10.915 1.00 80.71 C ATOM 45 C ARG F 35 63.005 -15.843 -11.716 1.00 73.91 C ATOM 46 O ARG F 35 62.770 -14.903 -12.475 1.00 65.56 O ATOM 47 CB ARG F 35 61.131 -17.509 -11.749 1.00 93.89 C ATOM 48 CG ARG F 35 61.989 -18.485 -12.525 1.00117.07 C ATOM 49 CD ARG F 35 61.091 -19.478 -13.292 1.00139.08 C ATOM 50 NE ARG F 35 60.480 -20.482 -12.424 1.00136.34 N ATOM 51 CZ ARG F 35 59.194 -20.893 -12.472 1.00135.16 C ATOM 52 NH1 ARG F 35 58.319 -20.330 -13.291 1.00143.26 N ATOM 53 NH2 ARG F 35 58.788 -21.816 -11.623 1.00136.50 N ATOM 54 HE ARG F 35 61.090 -20.920 -11.704 1.00 0.00 H ATOM 55 HH12 ARG F 35 57.334 -20.664 -13.310 1.00 0.00 H ATOM 56 HH11 ARG F 35 58.616 -19.554 -13.916 1.00 0.00 H ATOM 57 HH22 ARG F 35 57.802 -22.145 -11.645 1.00 0.00 H ATOM 58 HH21 ARG F 35 59.454 -22.215 -10.931 1.00 0.00 H ATOM 59 H ARG F 35 60.672 -14.750 -11.175 1.00 0.00 H ATOM 60 N VAL F 36 64.209 -16.376 -11.557 1.00 77.79 N ATOM 61 CA VAL F 36 65.414 -15.772 -12.123 1.00 78.97 C ATOM 62 C VAL F 36 66.133 -16.781 -12.979 1.00 80.45 C ATOM 63 O VAL F 36 66.535 -17.842 -12.523 1.00 75.45 O ATOM 64 CB VAL F 36 66.376 -15.280 -11.018 1.00 79.50 C ATOM 65 CG1 VAL F 36 67.674 -14.805 -11.571 1.00 81.26 C ATOM 66 CG2 VAL F 36 65.740 -14.156 -10.241 1.00 82.16 C ATOM 67 H VAL F 36 64.299 -17.256 -11.010 1.00 0.00 H ATOM 68 N ILE F 37 66.292 -16.421 -14.245 1.00 83.81 N ATOM 69 CA ILE F 37 66.808 -17.304 -15.281 1.00 81.47 C ATOM 70 C ILE F 37 68.062 -16.708 -15.847 1.00 82.20 C ATOM 71 O ILE F 37 68.098 -15.530 -16.218 1.00 78.35 O ATOM 72 CB ILE F 37 65.729 -17.356 -16.399 1.00 84.49 C ATOM 73 CG1 ILE F 37 64.391 -17.760 -15.802 1.00 79.66 C ATOM 74 CG2 ILE F 37 66.093 -18.305 -17.478 1.00 85.88 C ATOM 75 CD1 ILE F 37 63.261 -17.555 -16.751 1.00 81.50 C ATOM 76 H ILE F 37 66.033 -15.450 -14.514 1.00 0.00 H ATOM 77 N SER F 38 69.111 -17.541 -16.040 1.00 81.15 N ATOM 78 CA SER F 38 70.364 -17.123 -16.640 1.00 82.67 C ATOM 79 C SER F 38 70.315 -17.361 -18.149 1.00 87.09 C ATOM 80 O SER F 38 69.896 -18.439 -18.566 1.00 97.48 O ATOM 81 CB SER F 38 71.474 -17.931 -16.052 1.00 82.14 C ATOM 82 OG SER F 38 72.774 -17.521 -16.455 1.00 87.93 O ATOM 83 HG SER F 38 73.450 -18.102 -16.025 1.00 0.00 H ATOM 84 H SER F 38 69.014 -18.533 -15.743 1.00 0.00 H ATOM 85 N THR F 39 70.754 -16.375 -18.916 1.00 84.65 N ATOM 86 CA THR F 39 70.717 -16.404 -20.357 1.00 88.69 C ATOM 87 C THR F 39 71.815 -17.304 -20.916 1.00 97.68 C ATOM 88 O THR F 39 71.531 -18.214 -21.698 1.00104.31 O ATOM 89 CB THR F 39 70.920 -14.963 -20.924 1.00 86.16 C ATOM 90 OG1 THR F 39 72.229 -14.458 -20.549 1.00 82.25 O ATOM 91 CG2 THR F 39 69.766 -14.040 -20.426 1.00 85.32 C ATOM 92 HG1 THR F 39 72.346 -13.545 -20.914 1.00 0.00 H ATOM 93 H THR F 39 71.148 -15.531 -18.453 1.00 0.00 H ATOM 94 N THR F 40 73.061 -17.075 -20.476 1.00107.70 N ATOM 95 CA THR F 40 74.153 -18.030 -20.664 1.00109.20 C ATOM 96 C THR F 40 73.992 -19.419 -20.054 1.00104.84 C ATOM 97 O THR F 40 74.332 -20.437 -20.664 1.00115.61 O ATOM 98 CB THR F 40 75.501 -17.420 -20.245 1.00109.54 C ATOM 99 OG1 THR F 40 75.393 -16.643 -19.050 1.00121.19 O ATOM 100 CG2 THR F 40 76.011 -16.493 -21.362 1.00114.77 C ATOM 101 HG1 THR F 40 76.281 -16.271 -18.818 1.00 0.00 H ATOM 102 H THR F 40 73.259 -16.182 -19.981 1.00 0.00 H ATOM 103 N GLY F 41 73.385 -19.452 -18.867 1.00110.26 N ATOM 104 CA GLY F 41 72.828 -20.724 -18.370 1.00104.43 C ATOM 105 C GLY F 41 73.797 -21.474 -17.470 1.00111.47 C ATOM 106 O GLY F 41 73.576 -22.602 -17.102 1.00108.13 O ATOM 107 H GLY F 41 73.305 -18.587 -18.296 1.00 0.00 H ATOM 108 N GLN F 42 74.804 -20.745 -17.040 1.00120.30 N ATOM 109 CA GLN F 42 75.816 -21.137 -16.086 1.00121.85 C ATOM 110 C GLN F 42 75.239 -21.328 -14.655 1.00110.99 C ATOM 111 O GLN F 42 75.901 -21.841 -13.767 1.00127.31 O ATOM 112 CB GLN F 42 76.843 -19.984 -15.959 1.00136.71 C ATOM 113 CG GLN F 42 77.350 -19.294 -17.238 1.00150.02 C ATOM 114 CD GLN F 42 77.580 -17.784 -17.056 1.00150.54 C ATOM 115 OE1 GLN F 42 76.959 -17.157 -16.198 1.00147.89 O ATOM 116 NE2 GLN F 42 78.454 -17.207 -17.873 1.00137.69 N ATOM 117 HE22 GLN F 42 78.956 -17.777 -18.584 1.00 0.00 H ATOM 118 HE21 GLN F 42 78.636 -16.186 -17.802 1.00 0.00 H ATOM 119 H GLN F 42 74.880 -19.783 -17.428 1.00 0.00 H ATOM 120 N ILE F 43 74.089 -20.742 -14.404 1.00100.24 N ATOM 121 CA ILE F 43 73.506 -20.711 -13.061 1.00106.31 C ATOM 122 C ILE F 43 72.054 -21.100 -13.276 1.00 96.55 C ATOM 123 O ILE F 43 71.225 -20.188 -13.674 1.00119.50 O ATOM 124 CB ILE F 43 73.567 -19.322 -12.394 1.00115.01 C ATOM 125 CG1 ILE F 43 74.985 -18.764 -12.337 1.00107.88 C ATOM 126 CG2 ILE F 43 72.898 -19.412 -11.017 1.00109.98 C ATOM 127 CD1 ILE F 43 75.028 -17.299 -11.963 1.00 99.80 C ATOM 128 H ILE F 43 73.576 -20.285 -15.185 1.00 0.00 H ATOM 129 N PRO F 44 71.729 -22.381 -13.029 1.00 99.14 N ATOM 130 CA PRO F 44 70.297 -22.670 -13.183 1.00100.27 C ATOM 131 C PRO F 44 69.186 -21.807 -12.484 1.00 93.85 C ATOM 132 O PRO F 44 69.262 -21.168 -11.366 1.00115.14 O ATOM 133 CB PRO F 44 70.144 -24.102 -12.685 1.00100.20 C ATOM 134 CG PRO F 44 71.526 -24.466 -12.100 1.00105.86 C ATOM 135 CD PRO F 44 72.310 -23.197 -11.967 1.00100.14 C ATOM 136 N ILE F 45 68.100 -21.881 -13.169 1.00 89.26 N ATOM 137 CA ILE F 45 66.848 -21.279 -12.724 1.00 93.84 C ATOM 138 C ILE F 45 66.766 -21.306 -11.193 1.00103.48 C ATOM 139 O ILE F 45 67.104 -22.337 -10.556 1.00 99.58 O ATOM 140 CB ILE F 45 65.740 -22.062 -13.321 1.00 91.79 C ATOM 141 CG1 ILE F 45 65.629 -21.750 -14.825 1.00103.27 C ATOM 142 CG2 ILE F 45 64.344 -21.689 -12.718 1.00 94.11 C ATOM 143 CD1 ILE F 45 64.867 -22.799 -15.615 1.00119.57 C ATOM 144 H ILE F 45 68.115 -22.390 -14.076 1.00 0.00 H ATOM 145 N ARG F 46 66.353 -20.176 -10.623 1.00108.51 N ATOM 146 CA ARG F 46 66.045 -20.071 -9.200 1.00 94.73 C ATOM 147 C ARG F 46 64.729 -19.370 -8.944 1.00 93.00 C ATOM 148 O ARG F 46 64.442 -18.347 -9.556 1.00 85.31 O ATOM 149 CB ARG F 46 67.124 -19.336 -8.444 1.00 99.89 C ATOM 150 CG ARG F 46 68.309 -20.103 -7.966 1.00107.84 C ATOM 151 CD ARG F 46 68.013 -21.125 -6.862 1.00112.98 C ATOM 152 NE ARG F 46 69.168 -21.978 -6.698 1.00123.05 N ATOM 153 CZ ARG F 46 69.402 -23.138 -7.336 1.00125.64 C ATOM 154 NH1 ARG F 46 68.550 -23.628 -8.238 1.00121.88 N ATOM 155 NH2 ARG F 46 70.525 -23.804 -7.081 1.00133.88 N ATOM 156 HE ARG F 46 69.890 -21.663 -6.019 1.00 0.00 H ATOM 157 HH12 ARG F 46 68.759 -24.528 -8.715 1.00 0.00 H ATOM 158 HH11 ARG F 46 67.677 -23.110 -8.464 1.00 0.00 H ATOM 159 HH22 ARG F 46 70.719 -24.703 -7.567 1.00 0.00 H ATOM 160 HH21 ARG F 46 71.209 -23.426 -6.395 1.00 0.00 H ATOM 161 H ARG F 46 66.245 -19.330 -11.218 1.00 0.00 H ATOM 162 N ASP F 47 63.898 -20.037 -8.134 1.00101.24 N ATOM 163 CA ASP F 47 62.589 -19.548 -7.749 1.00106.09 C ATOM 164 C ASP F 47 62.672 -18.946 -6.371 1.00104.30 C ATOM 165 O ASP F 47 63.392 -19.475 -5.481 1.00 93.66 O ATOM 166 CB ASP F 47 61.672 -20.792 -7.714 1.00105.74 C ATOM 167 CG ASP F 47 61.193 -21.216 -9.078 1.00119.52 C ATOM 168 OD1 ASP F 47 61.406 -20.438 -10.065 1.00128.24 O ATOM 169 OD2 ASP F 47 60.579 -22.302 -9.149 1.00123.53 O ATOM 170 H ASP F 47 64.209 -20.957 -7.760 1.00 0.00 H ATOM 171 N PHE F 48 61.982 -17.825 -6.190 1.00100.97 N ATOM 172 CA PHE F 48 62.004 -17.067 -4.937 1.00 89.16 C ATOM 173 C PHE F 48 60.574 -16.892 -4.450 1.00 94.58 C ATOM 174 O PHE F 48 59.739 -16.267 -5.138 1.00 73.96 O ATOM 175 CB PHE F 48 62.628 -15.716 -5.180 1.00 87.33 C ATOM 176 CG PHE F 48 64.097 -15.776 -5.440 1.00 93.52 C ATOM 177 CD1 PHE F 48 64.975 -16.202 -4.445 1.00114.55 C ATOM 178 CD2 PHE F 48 64.616 -15.418 -6.667 1.00 90.84 C ATOM 179 CE1 PHE F 48 66.325 -16.266 -4.668 1.00119.23 C ATOM 180 CE2 PHE F 48 65.965 -15.502 -6.896 1.00 96.94 C ATOM 181 CZ PHE F 48 66.824 -15.913 -5.912 1.00108.81 C ATOM 182 H PHE F 48 61.399 -17.469 -6.975 1.00 0.00 H ATOM 183 N SER F 49 60.283 -17.457 -3.280 1.00115.38 N ATOM 184 CA SER F 49 58.904 -17.490 -2.752 1.00125.28 C ATOM 185 C SER F 49 58.805 -16.712 -1.458 1.00122.97 C ATOM 186 O SER F 49 59.825 -16.308 -0.859 1.00101.40 O ATOM 187 CB SER F 49 58.470 -18.934 -2.517 1.00132.53 C ATOM 188 OG SER F 49 59.455 -19.605 -1.782 1.00144.83 O ATOM 189 HG SER F 49 59.172 -20.541 -1.631 1.00 0.00 H ATOM 190 H SER F 49 61.048 -17.887 -2.722 1.00 0.00 H ATOM 191 N ALA F 50 57.565 -16.523 -1.019 1.00130.95 N ATOM 192 CA ALA F 50 57.277 -15.865 0.250 1.00136.78 C ATOM 193 C ALA F 50 55.912 -16.294 0.772 1.00142.38 C ATOM 194 O ALA F 50 54.940 -16.404 0.006 1.00145.60 O ATOM 195 CB ALA F 50 57.346 -14.366 0.068 1.00138.21 C ATOM 196 H ALA F 50 56.771 -16.857 -1.602 1.00 0.00 H ATOM 197 N ASP F 51 55.853 -16.517 2.083 1.00136.97 N ATOM 198 CA ASP F 51 54.618 -16.880 2.781 1.00136.06 C ATOM 199 C ASP F 51 53.692 -15.660 2.792 1.00127.24 C ATOM 200 O ASP F 51 54.076 -14.615 3.292 1.00126.49 O ATOM 201 CB ASP F 51 54.982 -17.309 4.215 1.00145.24 C ATOM 202 CG ASP F 51 53.804 -17.885 5.006 1.00153.60 C ATOM 203 OD1 ASP F 51 52.657 -17.928 4.504 1.00161.59 O ATOM 204 OD2 ASP F 51 54.043 -18.307 6.154 1.00154.00 O ATOM 205 H ASP F 51 56.727 -16.429 2.639 1.00 0.00 H ATOM 206 N ILE F 52 52.483 -15.788 2.247 1.00126.77 N ATOM 207 CA ILE F 52 51.558 -14.644 2.189 1.00136.40 C ATOM 208 C ILE F 52 51.020 -14.225 3.578 1.00146.87 C ATOM 209 O ILE F 52 50.754 -13.036 3.811 1.00139.86 O ATOM 210 CB ILE F 52 50.426 -14.873 1.171 1.00135.99 C ATOM 211 CG1 ILE F 52 51.025 -15.048 -0.232 1.00140.21 C ATOM 212 CG2 ILE F 52 49.462 -13.699 1.155 1.00135.05 C ATOM 213 CD1 ILE F 52 50.027 -15.485 -1.286 1.00140.17 C ATOM 214 H ILE F 52 52.189 -16.707 1.858 1.00 0.00 H ATOM 215 N SER F 53 50.880 -15.178 4.499 1.00148.86 N ATOM 216 CA SER F 53 50.567 -14.849 5.893 1.00149.08 C ATOM 217 C SER F 53 51.609 -13.881 6.438 1.00149.12 C ATOM 218 O SER F 53 51.296 -12.728 6.734 1.00158.56 O ATOM 219 CB SER F 53 50.525 -16.102 6.780 1.00151.49 C ATOM 220 OG SER F 53 49.415 -16.915 6.475 1.00159.60 O ATOM 221 HG SER F 53 49.419 -17.711 7.063 1.00 0.00 H ATOM 222 H SER F 53 50.995 -16.174 4.224 1.00 0.00 H ATOM 223 N GLN F 54 52.855 -14.347 6.501 1.00135.23 N ATOM 224 CA GLN F 54 53.968 -13.574 7.066 1.00121.37 C ATOM 225 C GLN F 54 54.188 -12.225 6.353 1.00123.93 C ATOM 226 O GLN F 54 54.704 -11.289 6.942 1.00123.79 O ATOM 227 CB GLN F 54 55.258 -14.411 7.050 1.00111.75 C ATOM 228 CG GLN F 54 56.358 -13.884 7.965 1.00116.59 C ATOM 229 CD GLN F 54 56.095 -14.210 9.423 1.00135.69 C ATOM 230 OE1 GLN F 54 56.236 -15.360 9.840 1.00165.56 O ATOM 231 NE2 GLN F 54 55.729 -13.198 10.217 1.00150.04 N ATOM 232 HE22 GLN F 54 55.621 -12.241 9.824 1.00 0.00 H ATOM 233 HE21 GLN F 54 55.552 -13.368 11.228 1.00 0.00 H ATOM 234 H GLN F 54 53.048 -15.301 6.134 1.00 0.00 H ATOM 235 N VAL F 55 53.793 -12.130 5.078 1.00122.91 N ATOM 236 CA VAL F 55 53.883 -10.873 4.308 1.00123.31 C ATOM 237 C VAL F 55 52.880 -9.838 4.774 1.00122.98 C ATOM 238 O VAL F 55 53.209 -8.668 4.853 1.00128.44 O ATOM 239 CB VAL F 55 53.753 -11.130 2.778 1.00127.34 C ATOM 240 CG1 VAL F 55 53.228 -9.925 1.989 1.00118.33 C ATOM 241 CG2 VAL F 55 55.098 -11.584 2.229 1.00132.92 C ATOM 242 H VAL F 55 53.407 -12.975 4.611 1.00 0.00 H ATOM 243 N LEU F 56 51.658 -10.258 5.072 1.00129.58 N ATOM 244 CA LEU F 56 50.632 -9.324 5.551 1.00137.14 C ATOM 245 C LEU F 56 50.884 -8.902 7.021 1.00134.53 C ATOM 246 O LEU F 56 50.685 -7.731 7.384 1.00102.63 O ATOM 247 CB LEU F 56 49.249 -9.924 5.331 1.00137.60 C ATOM 248 CG LEU F 56 48.964 -10.171 3.833 1.00129.25 C ATOM 249 CD1 LEU F 56 47.789 -11.104 3.604 1.00127.40 C ATOM 250 CD2 LEU F 56 48.742 -8.855 3.091 1.00125.35 C ATOM 251 H LEU F 56 51.423 -11.265 4.965 1.00 0.00 H ATOM 252 N LYS F 57 51.365 -9.848 7.834 1.00133.15 N ATOM 253 CA LYS F 57 51.839 -9.569 9.205 1.00142.09 C ATOM 254 C LYS F 57 52.955 -8.519 9.299 1.00142.83 C ATOM 255 O LYS F 57 53.115 -7.879 10.340 1.00165.74 O ATOM 256 CB LYS F 57 52.300 -10.871 9.923 1.00143.45 C ATOM 257 CG LYS F 57 51.332 -11.375 10.999 1.00146.36 C ATOM 258 CD LYS F 57 51.329 -12.903 11.176 1.00150.47 C ATOM 259 CE LYS F 57 49.946 -13.452 11.537 1.00152.47 C ATOM 260 NZ LYS F 57 49.605 -14.680 10.755 1.00155.08 N ATOM 261 HZ1 LYS F 57 49.609 -14.455 9.740 1.00 0.00 H ATOM 262 HZ2 LYS F 57 50.309 -15.420 10.950 1.00 0.00 H ATOM 263 HZ3 LYS F 57 48.661 -15.015 11.033 1.00 0.00 H ATOM 264 H LYS F 57 51.407 -10.827 7.485 1.00 0.00 H ATOM 265 N GLU F 58 53.739 -8.365 8.240 1.00136.18 N ATOM 266 CA GLU F 58 54.805 -7.377 8.222 1.00132.90 C ATOM 267 C GLU F 58 54.241 -5.962 8.191 1.00133.79 C ATOM 268 O GLU F 58 53.331 -5.664 7.403 1.00112.07 O ATOM 269 CB GLU F 58 55.741 -7.616 7.027 1.00124.03 C ATOM 270 CG GLU F 58 56.949 -6.705 6.966 1.00120.30 C ATOM 271 CD GLU F 58 57.743 -6.685 8.255 1.00123.35 C ATOM 272 OE1 GLU F 58 58.254 -7.757 8.657 1.00117.81 O ATOM 273 OE2 GLU F 58 57.861 -5.590 8.856 1.00131.41 O ATOM 274 H GLU F 58 53.588 -8.965 7.404 1.00 0.00 H ATOM 275 N LYS F 59 54.779 -5.105 9.073 1.00131.65 N ATOM 276 CA LYS F 59 54.356 -3.700 9.174 1.00124.91 C ATOM 277 C LYS F 59 55.004 -2.824 8.110 1.00111.64 C ATOM 278 O LYS F 59 54.350 -1.931 7.549 1.00108.76 O ATOM 279 CB LYS F 59 54.649 -3.149 10.578 1.00132.67 C ATOM 280 CG LYS F 59 53.557 -3.526 11.579 1.00133.97 C ATOM 281 CD LYS F 59 54.095 -3.976 12.916 1.00130.72 C ATOM 282 CE LYS F 59 52.923 -4.296 13.835 1.00126.28 C ATOM 283 NZ LYS F 59 53.340 -4.661 15.211 1.00127.25 N ATOM 284 HZ1 LYS F 59 53.950 -5.503 15.175 1.00 0.00 H ATOM 285 HZ2 LYS F 59 53.864 -3.869 15.635 1.00 0.00 H ATOM 286 HZ3 LYS F 59 52.497 -4.867 15.784 1.00 0.00 H ATOM 287 H LYS F 59 55.525 -5.448 9.711 1.00 0.00 H ATOM 288 N ARG F 60 56.266 -3.099 7.821 1.00103.59 N ATOM 289 CA ARG F 60 57.061 -2.260 6.929 1.00100.58 C ATOM 290 C ARG F 60 56.560 -2.284 5.482 1.00105.54 C ATOM 291 O ARG F 60 55.971 -3.263 5.051 1.00 98.34 O ATOM 292 CB ARG F 60 58.511 -2.734 6.972 1.00 94.91 C ATOM 293 CG ARG F 60 59.153 -2.602 8.316 1.00 98.00 C ATOM 294 CD ARG F 60 60.550 -3.232 8.293 1.00101.80 C ATOM 295 NE ARG F 60 60.512 -4.674 8.491 1.00102.10 N ATOM 296 CZ ARG F 60 61.498 -5.401 9.034 1.00103.53 C ATOM 297 NH1 ARG F 60 62.631 -4.843 9.455 1.00112.56 N ATOM 298 NH2 ARG F 60 61.324 -6.709 9.177 1.00100.35 N ATOM 299 HE ARG F 60 59.654 -5.178 8.188 1.00 0.00 H ATOM 300 HH12 ARG F 60 63.378 -5.434 9.872 1.00 0.00 H ATOM 301 HH11 ARG F 60 62.769 -3.816 9.367 1.00 0.00 H ATOM 302 HH22 ARG F 60 62.077 -7.291 9.596 1.00 0.00 H ATOM 303 HH21 ARG F 60 60.435 -7.152 8.870 1.00 0.00 H ATOM 304 H ARG F 60 56.706 -3.941 8.244 1.00 0.00 H ATOM 305 N SER F 61 56.791 -1.189 4.754 1.00105.42 N ATOM 306 CA SER F 61 56.446 -1.129 3.324 1.00 93.92 C ATOM 307 C SER F 61 57.277 -2.090 2.444 1.00 86.03 C ATOM 308 O SER F 61 56.854 -2.436 1.348 1.00 89.45 O ATOM 309 CB SER F 61 56.577 0.300 2.808 1.00 97.43 C ATOM 310 OG SER F 61 56.119 0.446 1.483 1.00116.92 O ATOM 311 HG SER F 61 56.647 -0.141 0.886 1.00 0.00 H ATOM 312 H SER F 61 57.225 -0.359 5.207 1.00 0.00 H ATOM 313 N ILE F 62 58.450 -2.480 2.929 1.00 81.15 N ATOM 314 CA ILE F 62 59.303 -3.460 2.270 1.00 76.37 C ATOM 315 C ILE F 62 59.091 -4.804 2.957 1.00 84.98 C ATOM 316 O ILE F 62 59.578 -5.042 4.068 1.00 89.68 O ATOM 317 CB ILE F 62 60.783 -3.030 2.321 1.00 75.44 C ATOM 318 CG1 ILE F 62 61.001 -1.748 1.530 1.00 79.89 C ATOM 319 CG2 ILE F 62 61.723 -4.124 1.845 1.00 67.40 C ATOM 320 CD1 ILE F 62 60.450 -1.759 0.135 1.00 83.54 C ATOM 321 H ILE F 62 58.776 -2.065 3.825 1.00 0.00 H ATOM 322 N LYS F 63 58.376 -5.688 2.259 1.00 85.80 N ATOM 323 CA LYS F 63 57.882 -6.952 2.804 1.00 83.68 C ATOM 324 C LYS F 63 58.931 -8.037 2.828 1.00 81.28 C ATOM 325 O LYS F 63 58.899 -8.888 3.703 1.00 79.51 O ATOM 326 CB LYS F 63 56.676 -7.445 2.011 1.00 92.31 C ATOM 327 CG LYS F 63 55.521 -6.443 1.905 1.00110.11 C ATOM 328 CD LYS F 63 54.974 -6.046 3.262 1.00131.54 C ATOM 329 CE LYS F 63 53.752 -5.156 3.154 1.00144.23 C ATOM 330 NZ LYS F 63 53.206 -4.796 4.505 1.00159.54 N ATOM 331 HZ1 LYS F 63 52.936 -5.664 5.011 1.00 0.00 H ATOM 332 HZ2 LYS F 63 53.934 -4.289 5.048 1.00 0.00 H ATOM 333 HZ3 LYS F 63 52.371 -4.187 4.389 1.00 0.00 H ATOM 334 H LYS F 63 58.157 -5.465 1.267 1.00 0.00 H ATOM 335 N LYS F 64 59.856 -8.027 1.876 1.00 94.97 N ATOM 336 CA LYS F 64 60.920 -9.034 1.837 1.00 93.08 C ATOM 337 C LYS F 64 62.095 -8.568 0.981 1.00 83.71 C ATOM 338 O LYS F 64 61.907 -7.778 0.036 1.00 81.98 O ATOM 339 CB LYS F 64 60.359 -10.367 1.299 1.00 92.08 C ATOM 340 CG LYS F 64 61.357 -11.507 1.359 1.00 95.44 C ATOM 341 CD LYS F 64 60.724 -12.882 1.543 1.00109.51 C ATOM 342 CE LYS F 64 61.823 -13.889 1.888 1.00113.56 C ATOM 343 NZ LYS F 64 61.308 -15.189 2.377 1.00121.23 N ATOM 344 HZ1 LYS F 64 60.746 -15.036 3.239 1.00 0.00 H ATOM 345 HZ2 LYS F 64 60.710 -15.621 1.644 1.00 0.00 H ATOM 346 HZ3 LYS F 64 62.107 -15.819 2.590 1.00 0.00 H ATOM 347 H LYS F 64 59.825 -7.290 1.143 1.00 0.00 H ATOM 348 N VAL F 65 63.300 -9.048 1.305 1.00 74.84 N ATOM 349 CA VAL F 65 64.496 -8.670 0.556 1.00 76.11 C ATOM 350 C VAL F 65 65.365 -9.865 0.193 1.00 79.78 C ATOM 351 O VAL F 65 65.732 -10.680 1.053 1.00 82.22 O ATOM 352 CB VAL F 65 65.362 -7.686 1.340 1.00 76.19 C ATOM 353 CG1 VAL F 65 66.599 -7.269 0.530 1.00 78.47 C ATOM 354 CG2 VAL F 65 64.531 -6.473 1.733 1.00 88.01 C ATOM 355 H VAL F 65 63.388 -9.704 2.107 1.00 0.00 H ATOM 356 N TRP F 66 65.733 -9.945 -1.083 1.00 82.12 N ATOM 357 CA TRP F 66 66.653 -10.961 -1.562 1.00 78.84 C ATOM 358 C TRP F 66 67.909 -10.275 -2.040 1.00 81.76 C ATOM 359 O TRP F 66 67.828 -9.249 -2.702 1.00 76.18 O ATOM 360 CB TRP F 66 66.029 -11.707 -2.722 1.00 71.32 C ATOM 361 CG TRP F 66 64.811 -12.464 -2.352 1.00 66.52 C ATOM 362 CD1 TRP F 66 64.750 -13.716 -1.799 1.00 66.54 C ATOM 363 CD2 TRP F 66 63.469 -12.021 -2.499 1.00 57.70 C ATOM 364 NE1 TRP F 66 63.460 -14.083 -1.631 1.00 69.03 N ATOM 365 CE2 TRP F 66 62.646 -13.054 -2.028 1.00 59.51 C ATOM 366 CE3 TRP F 66 62.883 -10.845 -2.932 1.00 58.53 C ATOM 367 CZ2 TRP F 66 61.251 -12.966 -2.042 1.00 60.45 C ATOM 368 CZ3 TRP F 66 61.484 -10.755 -2.930 1.00 61.62 C ATOM 369 CH2 TRP F 66 60.688 -11.830 -2.491 1.00 61.07 C ATOM 370 HE1 TRP F 66 63.137 -14.999 -1.260 1.00 0.00 H ATOM 371 H TRP F 66 65.348 -9.256 -1.761 1.00 0.00 H ATOM 372 N THR F 67 69.068 -10.843 -1.718 1.00 84.91 N ATOM 373 CA THR F 67 70.341 -10.274 -2.148 1.00 89.86 C ATOM 374 C THR F 67 71.060 -11.193 -3.115 1.00 84.19 C ATOM 375 O THR F 67 70.966 -12.408 -3.024 1.00 82.95 O ATOM 376 CB THR F 67 71.284 -10.006 -0.966 1.00 96.85 C ATOM 377 OG1 THR F 67 71.580 -11.242 -0.303 1.00 95.44 O ATOM 378 CG2 THR F 67 70.643 -9.065 0.021 1.00 94.86 C ATOM 379 HG1 THR F 67 72.016 -11.861 -0.941 1.00 0.00 H ATOM 380 H THR F 67 69.067 -11.712 -1.147 1.00 0.00 H ATOM 381 N PHE F 68 71.815 -10.570 -4.007 1.00 78.27 N ATOM 382 CA PHE F 68 72.482 -11.211 -5.109 1.00 78.34 C ATOM 383 C PHE F 68 73.933 -10.770 -5.004 1.00 82.44 C ATOM 384 O PHE F 68 74.203 -9.571 -4.969 1.00 85.70 O ATOM 385 CB PHE F 68 71.874 -10.702 -6.427 1.00 83.32 C ATOM 386 CG PHE F 68 70.489 -11.194 -6.689 1.00 77.97 C ATOM 387 CD1 PHE F 68 69.409 -10.683 -5.988 1.00 81.27 C ATOM 388 CD2 PHE F 68 70.250 -12.154 -7.673 1.00 79.19 C ATOM 389 CE1 PHE F 68 68.135 -11.160 -6.205 1.00 83.96 C ATOM 390 CE2 PHE F 68 68.965 -12.620 -7.894 1.00 86.81 C ATOM 391 CZ PHE F 68 67.916 -12.124 -7.158 1.00 85.50 C ATOM 392 H PHE F 68 71.935 -9.542 -3.903 1.00 0.00 H ATOM 393 N GLY F 69 74.868 -11.710 -4.954 1.00 84.65 N ATOM 394 CA GLY F 69 76.276 -11.323 -4.903 1.00 88.69 C ATOM 395 C GLY F 69 77.299 -12.438 -4.953 1.00 95.23 C ATOM 396 O GLY F 69 76.950 -13.627 -5.018 1.00 87.13 O ATOM 397 H GLY F 69 74.601 -12.715 -4.951 1.00 0.00 H ATOM 398 N ARG F 70 78.568 -12.030 -4.932 1.00105.48 N ATOM 399 CA ARG F 70 79.694 -12.962 -4.922 1.00109.67 C ATOM 400 C ARG F 70 79.742 -13.806 -3.642 1.00110.50 C ATOM 401 O ARG F 70 80.208 -14.945 -3.661 1.00128.57 O ATOM 402 CB ARG F 70 81.017 -12.201 -5.127 1.00110.43 C ATOM 403 CG ARG F 70 82.276 -12.998 -4.808 1.00119.99 C ATOM 404 CD ARG F 70 83.511 -12.432 -5.477 1.00128.49 C ATOM 405 NE ARG F 70 83.688 -10.993 -5.259 1.00132.84 N ATOM 406 CZ ARG F 70 84.271 -10.435 -4.198 1.00137.90 C ATOM 407 NH1 ARG F 70 84.755 -11.169 -3.190 1.00140.36 N ATOM 408 NH2 ARG F 70 84.365 -9.104 -4.132 1.00123.62 N ATOM 409 HE ARG F 70 83.328 -10.353 -5.995 1.00 0.00 H ATOM 410 HH12 ARG F 70 85.204 -10.703 -2.376 1.00 0.00 H ATOM 411 HH11 ARG F 70 84.682 -12.206 -3.220 1.00 0.00 H ATOM 412 HH22 ARG F 70 84.817 -8.655 -3.310 1.00 0.00 H ATOM 413 HH21 ARG F 70 83.986 -8.517 -4.902 1.00 0.00 H ATOM 414 H ARG F 70 78.764 -11.009 -4.922 1.00 0.00 H ATOM 415 N ASN F 71 79.273 -13.235 -2.534 1.00 97.76 N ATOM 416 CA ASN F 71 79.306 -13.909 -1.250 1.00 97.33 C ATOM 417 C ASN F 71 78.176 -14.928 -1.260 1.00 93.48 C ATOM 418 O ASN F 71 77.010 -14.545 -1.405 1.00114.13 O ATOM 419 CB ASN F 71 79.102 -12.894 -0.117 1.00116.00 C ATOM 420 CG ASN F 71 79.224 -13.511 1.277 1.00118.66 C ATOM 421 OD1 ASN F 71 78.853 -14.658 1.521 1.00110.32 O ATOM 422 ND2 ASN F 71 79.767 -12.735 2.196 1.00122.50 N ATOM 423 HD22 ASN F 71 80.068 -11.770 1.950 1.00 0.00 H ATOM 424 HD21 ASN F 71 79.894 -13.088 3.166 1.00 0.00 H ATOM 425 H ASN F 71 78.871 -12.277 -2.591 1.00 0.00 H ATOM 426 N PRO F 72 78.496 -16.212 -1.080 1.00 90.81 N ATOM 427 CA PRO F 72 77.456 -17.252 -1.086 1.00 97.75 C ATOM 428 C PRO F 72 76.457 -17.189 0.067 1.00102.96 C ATOM 429 O PRO F 72 75.491 -17.956 0.070 1.00102.30 O ATOM 430 CB PRO F 72 78.254 -18.548 -1.012 1.00 98.27 C ATOM 431 CG PRO F 72 79.509 -18.160 -0.313 1.00106.18 C ATOM 432 CD PRO F 72 79.827 -16.786 -0.832 1.00 98.33 C ATOM 433 N ALA F 73 76.700 -16.312 1.044 1.00107.81 N ATOM 434 CA ALA F 73 75.693 -15.963 2.047 1.00112.04 C ATOM 435 C ALA F 73 74.445 -15.361 1.438 1.00106.48 C ATOM 436 O ALA F 73 73.378 -15.446 2.052 1.00104.38 O ATOM 437 CB ALA F 73 76.268 -14.978 3.053 1.00128.77 C ATOM 438 H ALA F 73 77.636 -15.862 1.094 1.00 0.00 H ATOM 439 N CYS F 74 74.589 -14.736 0.259 1.00 96.34 N ATOM 440 CA CYS F 74 73.464 -14.143 -0.461 1.00 91.63 C ATOM 441 C CYS F 74 72.383 -15.151 -0.792 1.00 88.96 C ATOM 442 O CYS F 74 72.591 -16.361 -0.716 1.00 91.29 O ATOM 443 CB CYS F 74 73.944 -13.495 -1.761 1.00 91.62 C ATOM 444 SG CYS F 74 75.083 -12.094 -1.559 1.00 95.85 S ATOM 445 H CYS F 74 75.539 -14.671 -0.159 1.00 0.00 H ATOM 446 N ASP F 75 71.208 -14.646 -1.138 1.00 90.42 N ATOM 447 CA ASP F 75 70.118 -15.516 -1.552 1.00 97.57 C ATOM 448 C ASP F 75 70.412 -16.162 -2.916 1.00 90.83 C ATOM 449 O ASP F 75 70.066 -17.316 -3.135 1.00102.40 O ATOM 450 CB ASP F 75 68.805 -14.739 -1.585 1.00104.49 C ATOM 451 CG ASP F 75 68.375 -14.285 -0.205 1.00102.05 C ATOM 452 OD1 ASP F 75 67.763 -15.110 0.517 1.00103.91 O ATOM 453 OD2 ASP F 75 68.622 -13.115 0.140 1.00 96.97 O ATOM 454 H ASP F 75 71.063 -13.616 -1.113 1.00 0.00 H ATOM 455 N TYR F 76 71.043 -15.411 -3.817 1.00 85.86 N ATOM 456 CA TYR F 76 71.448 -15.900 -5.135 1.00 85.10 C ATOM 457 C TYR F 76 72.934 -15.686 -5.269 1.00 92.74 C ATOM 458 O TYR F 76 73.410 -14.552 -5.209 1.00 79.49 O ATOM 459 CB TYR F 76 70.747 -15.104 -6.232 1.00 87.58 C ATOM 460 CG TYR F 76 70.805 -15.708 -7.621 1.00 85.08 C ATOM 461 CD1 TYR F 76 69.946 -16.723 -7.992 1.00 92.16 C ATOM 462 CD2 TYR F 76 71.671 -15.205 -8.587 1.00 80.97 C ATOM 463 CE1 TYR F 76 69.989 -17.260 -9.297 1.00 93.66 C ATOM 464 CE2 TYR F 76 71.680 -15.685 -9.880 1.00 82.06 C ATOM 465 CZ TYR F 76 70.884 -16.750 -10.219 1.00 89.46 C ATOM 466 OH TYR F 76 70.857 -17.262 -11.492 1.00103.82 O ATOM 467 HH TYR F 76 70.223 -18.022 -11.528 1.00 0.00 H ATOM 468 H TYR F 76 71.259 -14.424 -3.570 1.00 0.00 H ATOM 469 N HIS F 77 73.678 -16.772 -5.445 1.00103.68 N ATOM 470 CA HIS F 77 75.118 -16.660 -5.604 1.00100.95 C ATOM 471 C HIS F 77 75.400 -16.344 -7.063 1.00100.34 C ATOM 472 O HIS F 77 75.122 -17.159 -7.939 1.00114.34 O ATOM 473 CB HIS F 77 75.797 -17.947 -5.168 1.00102.57 C ATOM 474 CG HIS F 77 77.283 -17.838 -5.106 1.00117.82 C ATOM 475 ND1 HIS F 77 78.125 -18.826 -5.567 1.00130.48 N ATOM 476 CD2 HIS F 77 78.083 -16.842 -4.651 1.00129.47 C ATOM 477 CE1 HIS F 77 79.379 -18.448 -5.379 1.00137.95 C ATOM 478 NE2 HIS F 77 79.378 -17.246 -4.832 1.00137.31 N ATOM 479 H HIS F 77 73.227 -17.709 -5.469 1.00 0.00 H ATOM 480 N LEU F 78 75.920 -15.152 -7.330 1.00 95.87 N ATOM 481 CA LEU F 78 76.347 -14.793 -8.684 1.00 94.65 C ATOM 482 C LEU F 78 77.656 -15.459 -9.107 1.00110.43 C ATOM 483 O LEU F 78 78.048 -15.340 -10.260 1.00117.93 O ATOM 484 CB LEU F 78 76.481 -13.276 -8.826 1.00 86.88 C ATOM 485 CG LEU F 78 75.202 -12.462 -8.638 1.00 90.12 C ATOM 486 CD1 LEU F 78 75.478 -10.974 -8.731 1.00 90.96 C ATOM 487 CD2 LEU F 78 74.187 -12.831 -9.707 1.00 91.12 C ATOM 488 H LEU F 78 76.026 -14.459 -6.562 1.00 0.00 H ATOM 489 N GLY F 79 78.338 -16.120 -8.173 1.00115.86 N ATOM 490 CA GLY F 79 79.565 -16.859 -8.457 1.00116.43 C ATOM 491 C GLY F 79 80.776 -16.099 -7.945 1.00122.42 C ATOM 492 O GLY F 79 80.693 -14.895 -7.699 1.00138.55 O ATOM 493 H GLY F 79 77.980 -16.109 -7.197 1.00 0.00 H ATOM 494 N ASN F 80 81.905 -16.788 -7.816 1.00128.51 N ATOM 495 CA ASN F 80 83.106 -16.215 -7.206 1.00128.30 C ATOM 496 C ASN F 80 83.919 -15.387 -8.199 1.00105.78 C ATOM 497 O ASN F 80 85.105 -15.590 -8.367 1.00101.84 O ATOM 498 CB ASN F 80 83.947 -17.330 -6.551 1.00148.19 C ATOM 499 CG ASN F 80 83.198 -18.048 -5.431 1.00160.58 C ATOM 500 OD1 ASN F 80 82.568 -17.417 -4.584 1.00164.26 O ATOM 501 ND2 ASN F 80 83.266 -19.367 -5.419 1.00160.83 N ATOM 502 HD22 ASN F 80 83.809 -19.866 -6.152 1.00 0.00 H ATOM 503 HD21 ASN F 80 82.777 -19.906 -4.676 1.00 0.00 H ATOM 504 H ASN F 80 81.936 -17.769 -8.161 1.00 0.00 H ATOM 505 N ILE F 81 83.250 -14.416 -8.812 1.00108.11 N ATOM 506 CA ILE F 81 83.794 -13.548 -9.854 1.00128.97 C ATOM 507 C ILE F 81 84.191 -12.235 -9.158 1.00138.73 C ATOM 508 O ILE F 81 83.319 -11.520 -8.666 1.00154.35 O ATOM 509 CB ILE F 81 82.736 -13.218 -10.937 1.00139.04 C ATOM 510 CG1 ILE F 81 82.044 -14.496 -11.457 1.00132.99 C ATOM 511 CG2 ILE F 81 83.343 -12.395 -12.069 1.00136.90 C ATOM 512 CD1 ILE F 81 80.701 -14.657 -10.889 1.00131.36 C ATOM 513 H ILE F 81 82.262 -14.262 -8.528 1.00 0.00 H ATOM 514 N LEU F 82 85.481 -11.894 -9.134 1.00142.89 N ATOM 515 CA LEU F 82 85.948 -10.856 -8.199 1.00135.53 C ATOM 516 C LEU F 82 85.355 -9.450 -8.393 1.00119.36 C ATOM 517 O LEU F 82 85.011 -8.796 -7.416 1.00125.09 O ATOM 518 CB LEU F 82 87.485 -10.835 -8.104 1.00143.25 C ATOM 519 CG LEU F 82 88.099 -12.011 -7.251 1.00147.46 C ATOM 520 CD1 LEU F 82 87.945 -11.877 -5.719 1.00132.30 C ATOM 521 CD2 LEU F 82 87.673 -13.425 -7.650 1.00151.61 C ATOM 522 H LEU F 82 86.155 -12.360 -9.774 1.00 0.00 H ATOM 523 N PRO F 83 85.191 -8.998 -9.637 1.00105.24 N ATOM 524 CA PRO F 83 84.556 -7.669 -9.846 1.00114.14 C ATOM 525 C PRO F 83 83.047 -7.600 -9.542 1.00118.20 C ATOM 526 O PRO F 83 82.442 -6.520 -9.624 1.00106.70 O ATOM 527 CB PRO F 83 84.811 -7.397 -11.336 1.00107.00 C ATOM 528 CG PRO F 83 85.931 -8.302 -11.708 1.00105.84 C ATOM 529 CD PRO F 83 85.724 -9.540 -10.895 1.00 99.36 C ATOM 530 N VAL F 84 82.437 -8.744 -9.251 1.00124.75 N ATOM 531 CA VAL F 84 81.105 -8.758 -8.680 1.00121.22 C ATOM 532 C VAL F 84 81.275 -8.514 -7.188 1.00115.24 C ATOM 533 O VAL F 84 82.028 -9.218 -6.512 1.00 99.48 O ATOM 534 CB VAL F 84 80.370 -10.088 -8.943 1.00132.56 C ATOM 535 CG1 VAL F 84 79.037 -10.133 -8.205 1.00133.99 C ATOM 536 CG2 VAL F 84 80.171 -10.271 -10.444 1.00140.92 C ATOM 537 H VAL F 84 82.923 -9.644 -9.436 1.00 0.00 H ATOM 538 N SER F 85 80.610 -7.474 -6.701 1.00108.44 N ATOM 539 CA SER F 85 80.554 -7.172 -5.272 1.00 92.35 C ATOM 540 C SER F 85 79.949 -8.318 -4.450 1.00 80.84 C ATOM 541 O SER F 85 79.104 -9.064 -4.945 1.00 99.13 O ATOM 542 CB SER F 85 79.793 -5.849 -5.053 1.00 83.62 C ATOM 543 OG SER F 85 80.311 -4.820 -5.889 1.00 81.80 O ATOM 544 HG SER F 85 81.268 -4.676 -5.679 1.00 0.00 H ATOM 545 H SER F 85 80.108 -6.848 -7.363 1.00 0.00 H ATOM 546 N ASN F 86 80.414 -8.456 -3.212 1.00 82.14 N ATOM 547 CA ASN F 86 79.952 -9.513 -2.299 1.00 95.16 C ATOM 548 C ASN F 86 78.458 -9.469 -2.101 1.00 94.65 C ATOM 549 O ASN F 86 77.801 -10.515 -2.081 1.00 85.26 O ATOM 550 CB ASN F 86 80.633 -9.393 -0.934 1.00107.51 C ATOM 551 CG ASN F 86 82.041 -9.904 -0.961 1.00111.13 C ATOM 552 OD1 ASN F 86 82.273 -11.107 -0.798 1.00 99.20 O ATOM 553 ND2 ASN F 86 82.993 -9.003 -1.199 1.00110.89 N ATOM 554 HD22 ASN F 86 82.741 -8.002 -1.329 1.00 0.00 H ATOM 555 HD21 ASN F 86 83.988 -9.300 -1.255 1.00 0.00 H ATOM 556 H ASN F 86 81.136 -7.788 -2.874 1.00 0.00 H ATOM 557 N LYS F 87 77.950 -8.256 -1.901 1.00 95.89 N ATOM 558 CA LYS F 87 76.526 -7.990 -1.981 1.00 95.56 C ATOM 559 C LYS F 87 76.402 -6.933 -3.062 1.00 94.49 C ATOM 560 O LYS F 87 76.781 -5.776 -2.868 1.00 90.13 O ATOM 561 CB LYS F 87 75.935 -7.541 -0.642 1.00100.53 C ATOM 562 CG LYS F 87 75.829 -8.655 0.389 1.00112.27 C ATOM 563 CD LYS F 87 74.663 -8.713 1.351 1.00119.73 C ATOM 564 CE LYS F 87 74.966 -9.846 2.353 1.00124.04 C ATOM 565 NZ LYS F 87 73.843 -10.698 2.888 1.00119.84 N ATOM 566 HZ1 LYS F 87 73.160 -10.094 3.388 1.00 0.00 H ATOM 567 HZ2 LYS F 87 73.368 -11.180 2.098 1.00 0.00 H ATOM 568 HZ3 LYS F 87 74.229 -11.405 3.545 1.00 0.00 H ATOM 569 H LYS F 87 78.596 -7.471 -1.680 1.00 0.00 H ATOM 570 N HIS F 88 75.891 -7.359 -4.214 1.00 89.94 N ATOM 571 CA HIS F 88 75.922 -6.576 -5.432 1.00 85.82 C ATOM 572 C HIS F 88 74.618 -5.842 -5.712 1.00 81.63 C ATOM 573 O HIS F 88 74.628 -4.671 -6.067 1.00 83.43 O ATOM 574 CB HIS F 88 76.283 -7.478 -6.608 1.00 89.64 C ATOM 575 CG HIS F 88 76.748 -6.721 -7.805 1.00 89.68 C ATOM 576 ND1 HIS F 88 78.071 -6.656 -8.175 1.00 83.51 N ATOM 577 CD2 HIS F 88 76.065 -5.962 -8.695 1.00 91.06 C ATOM 578 CE1 HIS F 88 78.182 -5.896 -9.253 1.00 88.19 C ATOM 579 NE2 HIS F 88 76.978 -5.458 -9.587 1.00 84.10 N ATOM 580 H HIS F 88 75.448 -8.300 -4.241 1.00 0.00 H ATOM 581 N PHE F 89 73.494 -6.532 -5.587 1.00 70.45 N ATOM 582 CA PHE F 89 72.198 -5.846 -5.677 1.00 70.43 C ATOM 583 C PHE F 89 71.162 -6.599 -4.870 1.00 67.20 C ATOM 584 O PHE F 89 71.388 -7.744 -4.492 1.00 64.15 O ATOM 585 CB PHE F 89 71.760 -5.615 -7.145 1.00 74.79 C ATOM 586 CG PHE F 89 71.499 -6.878 -7.932 1.00 79.37 C ATOM 587 CD1 PHE F 89 72.536 -7.496 -8.637 1.00 87.67 C ATOM 588 CD2 PHE F 89 70.225 -7.442 -8.002 1.00 74.53 C ATOM 589 CE1 PHE F 89 72.317 -8.669 -9.340 1.00 88.83 C ATOM 590 CE2 PHE F 89 70.000 -8.609 -8.727 1.00 73.30 C ATOM 591 CZ PHE F 89 71.039 -9.214 -9.388 1.00 74.95 C ATOM 592 H PHE F 89 73.529 -7.559 -5.425 1.00 0.00 H ATOM 593 N GLN F 90 70.056 -5.925 -4.572 1.00 61.04 N ATOM 594 CA GLN F 90 68.963 -6.535 -3.848 1.00 65.12 C ATOM 595 C GLN F 90 67.707 -6.357 -4.649 1.00 70.64 C ATOM 596 O GLN F 90 67.583 -5.403 -5.435 1.00 61.53 O ATOM 597 CB GLN F 90 68.748 -5.857 -2.483 1.00 74.94 C ATOM 598 CG GLN F 90 70.016 -5.545 -1.708 1.00 75.64 C ATOM 599 CD GLN F 90 69.778 -5.119 -0.302 1.00 73.59 C ATOM 600 OE1 GLN F 90 69.909 -5.923 0.602 1.00 74.26 O ATOM 601 NE2 GLN F 90 69.522 -3.835 -0.109 1.00 88.49 N ATOM 602 HE22 GLN F 90 69.421 -3.197 -0.924 1.00 0.00 H ATOM 603 HE21 GLN F 90 69.422 -3.464 0.858 1.00 0.00 H ATOM 604 H GLN F 90 69.974 -4.931 -4.868 1.00 0.00 H ATOM 605 N ILE F 91 66.768 -7.270 -4.439 1.00 76.54 N ATOM 606 CA ILE F 91 65.433 -7.149 -4.986 1.00 75.30 C ATOM 607 C ILE F 91 64.505 -7.075 -3.795 1.00 74.06 C ATOM 608 O ILE F 91 64.613 -7.869 -2.869 1.00 67.97 O ATOM 609 CB ILE F 91 65.103 -8.313 -5.947 1.00 80.34 C ATOM 610 CG1 ILE F 91 65.980 -8.175 -7.197 1.00 81.27 C ATOM 611 CG2 ILE F 91 63.623 -8.316 -6.315 1.00 79.43 C ATOM 612 CD1 ILE F 91 65.855 -9.286 -8.200 1.00 82.10 C ATOM 613 H ILE F 91 66.999 -8.103 -3.861 1.00 0.00 H ATOM 614 N LEU F 92 63.620 -6.093 -3.810 1.00 80.66 N ATOM 615 CA LEU F 92 62.742 -5.830 -2.684 1.00 78.28 C ATOM 616 C LEU F 92 61.309 -6.099 -3.082 1.00 78.02 C ATOM 617 O LEU F 92 60.865 -5.648 -4.133 1.00 81.84 O ATOM 618 CB LEU F 92 62.860 -4.374 -2.263 1.00 76.80 C ATOM 619 CG LEU F 92 64.070 -3.939 -1.467 1.00 72.55 C ATOM 620 CD1 LEU F 92 65.404 -4.278 -2.099 1.00 72.64 C ATOM 621 CD2 LEU F 92 63.900 -2.441 -1.224 1.00 74.63 C ATOM 622 H LEU F 92 63.551 -5.490 -4.655 1.00 0.00 H ATOM 623 N LEU F 93 60.585 -6.795 -2.223 1.00 79.16 N ATOM 624 CA LEU F 93 59.150 -6.969 -2.406 1.00 83.89 C ATOM 625 C LEU F 93 58.425 -5.830 -1.708 1.00 84.36 C ATOM 626 O LEU F 93 58.449 -5.745 -0.498 1.00 78.40 O ATOM 627 CB LEU F 93 58.674 -8.318 -1.857 1.00 77.15 C ATOM 628 CG LEU F 93 57.170 -8.589 -1.942 1.00 74.38 C ATOM 629 CD1 LEU F 93 56.595 -8.419 -3.331 1.00 71.06 C ATOM 630 CD2 LEU F 93 56.869 -10.009 -1.509 1.00 83.27 C ATOM 631 H LEU F 93 61.049 -7.228 -1.399 1.00 0.00 H ATOM 632 N GLY F 94 57.789 -4.965 -2.488 1.00 91.49 N ATOM 633 CA GLY F 94 56.975 -3.851 -1.995 1.00 97.55 C ATOM 634 C GLY F 94 55.629 -4.262 -1.422 1.00104.12 C ATOM 635 O GLY F 94 55.197 -5.403 -1.569 1.00116.81 O ATOM 636 H GLY F 94 57.874 -5.086 -3.517 1.00 0.00 H ATOM 637 N GLU F 95 54.977 -3.309 -0.754 1.00115.36 N ATOM 638 CA GLU F 95 53.623 -3.471 -0.219 1.00135.72 C ATOM 639 C GLU F 95 52.610 -3.754 -1.335 1.00130.10 C ATOM 640 O GLU F 95 51.737 -4.602 -1.198 1.00116.22 O ATOM 641 CB GLU F 95 53.227 -2.206 0.559 1.00142.27 C ATOM 642 CG GLU F 95 52.002 -2.345 1.470 1.00144.05 C ATOM 643 CD GLU F 95 51.940 -1.308 2.562 1.00149.25 C ATOM 644 OE1 GLU F 95 52.626 -0.270 2.455 1.00168.67 O ATOM 645 OE2 GLU F 95 51.184 -1.537 3.514 1.00150.55 O ATOM 646 H GLU F 95 55.458 -2.399 -0.604 1.00 0.00 H ATOM 647 N ASP F 96 52.773 -3.044 -2.446 1.00119.33 N ATOM 648 CA ASP F 96 51.931 -3.216 -3.640 1.00128.76 C ATOM 649 C ASP F 96 52.001 -4.600 -4.325 1.00120.03 C ATOM 650 O ASP F 96 51.188 -4.882 -5.212 1.00110.74 O ATOM 651 CB ASP F 96 52.190 -2.085 -4.680 1.00142.29 C ATOM 652 CG ASP F 96 53.674 -1.949 -5.095 1.00164.27 C ATOM 653 OD1 ASP F 96 54.549 -2.695 -4.576 1.00181.38 O ATOM 654 OD2 ASP F 96 53.980 -1.069 -5.938 1.00162.10 O ATOM 655 H ASP F 96 53.532 -2.333 -2.473 1.00 0.00 H ATOM 656 N GLY F 97 52.953 -5.450 -3.921 1.00118.49 N ATOM 657 CA GLY F 97 53.217 -6.729 -4.589 1.00107.65 C ATOM 658 C GLY F 97 54.256 -6.630 -5.712 1.00122.17 C ATOM 659 O GLY F 97 54.547 -7.630 -6.353 1.00131.65 O ATOM 660 H GLY F 97 53.532 -5.192 -3.096 1.00 0.00 H ATOM 661 N ASN F 98 54.828 -5.443 -5.946 1.00129.78 N ATOM 662 CA ASN F 98 55.827 -5.230 -7.003 1.00123.13 C ATOM 663 C ASN F 98 57.238 -5.331 -6.461 1.00105.10 C ATOM 664 O ASN F 98 57.483 -5.321 -5.267 1.00 93.85 O ATOM 665 CB ASN F 98 55.663 -3.849 -7.654 1.00131.26 C ATOM 666 CG ASN F 98 54.395 -3.727 -8.475 1.00132.99 C ATOM 667 OD1 ASN F 98 53.819 -4.716 -8.936 1.00127.12 O ATOM 668 ND2 ASN F 98 53.974 -2.491 -8.682 1.00146.58 N ATOM 669 HD22 ASN F 98 54.494 -1.689 -8.272 1.00 0.00 H ATOM 670 HD21 ASN F 98 53.123 -2.321 -9.255 1.00 0.00 H ATOM 671 H ASN F 98 54.553 -4.634 -5.353 1.00 0.00 H ATOM 672 N LEU F 99 58.186 -5.430 -7.383 1.00 90.95 N ATOM 673 CA LEU F 99 59.575 -5.692 -7.067 1.00 75.78 C ATOM 674 C LEU F 99 60.405 -4.471 -7.408 1.00 71.57 C ATOM 675 O LEU F 99 60.146 -3.793 -8.389 1.00 75.41 O ATOM 676 CB LEU F 99 60.062 -6.902 -7.833 1.00 76.66 C ATOM 677 CG LEU F 99 59.277 -8.194 -7.600 1.00 79.15 C ATOM 678 CD1 LEU F 99 59.699 -9.305 -8.523 1.00 85.63 C ATOM 679 CD2 LEU F 99 59.339 -8.606 -6.128 1.00 86.35 C ATOM 680 H LEU F 99 57.919 -5.314 -8.381 1.00 0.00 H ATOM 681 N LEU F 100 61.422 -4.216 -6.606 1.00 69.56 N ATOM 682 CA LEU F 100 62.326 -3.100 -6.797 1.00 71.87 C ATOM 683 C LEU F 100 63.759 -3.586 -6.803 1.00 72.73 C ATOM 684 O LEU F 100 64.095 -4.515 -6.071 1.00 70.27 O ATOM 685 CB LEU F 100 62.147 -2.098 -5.667 1.00 77.10 C ATOM 686 CG LEU F 100 60.790 -1.423 -5.617 1.00 83.18 C ATOM 687 CD1 LEU F 100 60.623 -0.809 -4.237 1.00 94.73 C ATOM 688 CD2 LEU F 100 60.655 -0.336 -6.671 1.00 86.33 C ATOM 689 H LEU F 100 61.582 -4.848 -5.796 1.00 0.00 H ATOM 690 N LEU F 101 64.594 -2.913 -7.589 1.00 69.89 N ATOM 691 CA LEU F 101 66.004 -3.254 -7.720 1.00 73.97 C ATOM 692 C LEU F 101 66.908 -2.171 -7.090 1.00 76.67 C ATOM 693 O LEU F 101 66.873 -1.005 -7.509 1.00 77.40 O ATOM 694 CB LEU F 101 66.331 -3.454 -9.203 1.00 74.22 C ATOM 695 CG LEU F 101 67.821 -3.513 -9.577 1.00 74.41 C ATOM 696 CD1 LEU F 101 68.474 -4.759 -9.031 1.00 75.50 C ATOM 697 CD2 LEU F 101 68.016 -3.466 -11.062 1.00 83.02 C ATOM 698 H LEU F 101 64.224 -2.108 -8.134 1.00 0.00 H ATOM 699 N ASN F 102 67.729 -2.580 -6.113 1.00 74.01 N ATOM 700 CA ASN F 102 68.640 -1.684 -5.385 1.00 77.79 C ATOM 701 C ASN F 102 70.074 -2.043 -5.793 1.00 77.01 C ATOM 702 O ASN F 102 70.579 -3.087 -5.370 1.00 69.30 O ATOM 703 CB ASN F 102 68.400 -1.845 -3.839 1.00 76.73 C ATOM 704 CG ASN F 102 69.087 -0.769 -2.971 1.00 82.71 C ATOM 705 OD1 ASN F 102 69.407 -1.000 -1.781 1.00 88.67 O ATOM 706 ND2 ASN F 102 69.277 0.423 -3.536 1.00 81.69 N ATOM 707 HD22 ASN F 102 68.999 0.579 -4.526 1.00 0.00 H ATOM 708 HD21 ASN F 102 69.703 1.197 -2.987 1.00 0.00 H ATOM 709 H ASN F 102 67.721 -3.588 -5.855 1.00 0.00 H ATOM 710 N ASP F 103 70.731 -1.229 -6.627 1.00 80.21 N ATOM 711 CA ASP F 103 72.189 -1.449 -6.848 1.00 90.09 C ATOM 712 C ASP F 103 72.960 -1.067 -5.587 1.00 85.97 C ATOM 713 O ASP F 103 72.728 0.006 -5.054 1.00 77.74 O ATOM 714 CB ASP F 103 72.757 -0.634 -8.030 1.00 95.28 C ATOM 715 CG ASP F 103 74.276 -0.835 -8.201 1.00 93.27 C ATOM 716 OD1 ASP F 103 74.728 -1.982 -8.011 1.00 90.98 O ATOM 717 OD2 ASP F 103 75.030 0.134 -8.495 1.00 88.27 O ATOM 718 H ASP F 103 70.233 -0.456 -7.113 1.00 0.00 H ATOM 719 N ILE F 104 73.867 -1.923 -5.124 1.00 87.91 N ATOM 720 CA ILE F 104 74.702 -1.619 -3.943 1.00 83.64 C ATOM 721 C ILE F 104 76.136 -2.085 -4.175 1.00 87.06 C ATOM 722 O ILE F 104 76.828 -2.578 -3.266 1.00 83.61 O ATOM 723 CB ILE F 104 74.118 -2.225 -2.648 1.00 82.69 C ATOM 724 CG1 ILE F 104 73.990 -3.743 -2.740 1.00 83.77 C ATOM 725 CG2 ILE F 104 72.742 -1.630 -2.375 1.00 89.83 C ATOM 726 CD1 ILE F 104 73.609 -4.420 -1.446 1.00 86.73 C ATOM 727 H ILE F 104 73.992 -2.835 -5.608 1.00 0.00 H ATOM 728 N SER F 105 76.589 -1.880 -5.407 1.00 90.58 N ATOM 729 CA SER F 105 77.809 -2.492 -5.902 1.00 89.74 C ATOM 730 C SER F 105 78.898 -1.480 -6.181 1.00 86.98 C ATOM 731 O SER F 105 78.615 -0.327 -6.532 1.00 85.91 O ATOM 732 CB SER F 105 77.516 -3.241 -7.199 1.00 96.50 C ATOM 733 OG SER F 105 77.120 -2.347 -8.233 1.00 85.88 O ATOM 734 HG SER F 105 76.301 -1.865 -7.955 1.00 0.00 H ATOM 735 H SER F 105 76.049 -1.257 -6.041 1.00 0.00 H ATOM 736 N THR F 106 80.134 -1.953 -6.074 1.00 87.58 N ATOM 737 CA THR F 106 81.302 -1.234 -6.553 1.00 96.89 C ATOM 738 C THR F 106 81.223 -0.969 -8.061 1.00 98.82 C ATOM 739 O THR F 106 81.350 0.175 -8.475 1.00 94.63 O ATOM 740 CB THR F 106 82.599 -2.032 -6.252 1.00102.85 C ATOM 741 OG1 THR F 106 82.774 -2.154 -4.836 1.00101.32 O ATOM 742 CG2 THR F 106 83.841 -1.356 -6.862 1.00104.17 C ATOM 743 HG1 THR F 106 81.998 -2.631 -4.449 1.00 0.00 H ATOM 744 H THR F 106 80.272 -2.881 -5.626 1.00 0.00 H ATOM 745 N ASN F 107 80.997 -2.009 -8.872 1.00102.89 N ATOM 746 CA ASN F 107 81.132 -1.876 -10.330 1.00104.25 C ATOM 747 C ASN F 107 79.847 -1.623 -11.134 1.00112.38 C ATOM 748 O ASN F 107 79.866 -1.658 -12.362 1.00108.77 O ATOM 749 CB ASN F 107 81.867 -3.105 -10.852 1.00105.85 C ATOM 750 CG ASN F 107 83.327 -3.112 -10.449 1.00111.44 C ATOM 751 OD1 ASN F 107 84.016 -2.099 -10.567 1.00114.57 O ATOM 752 ND2 ASN F 107 83.808 -4.251 -9.964 1.00117.18 N ATOM 753 HD22 ASN F 107 83.190 -5.083 -9.882 1.00 0.00 H ATOM 754 HD21 ASN F 107 84.803 -4.311 -9.667 1.00 0.00 H ATOM 755 H ASN F 107 80.722 -2.925 -8.465 1.00 0.00 H ATOM 756 N GLY F 108 78.733 -1.388 -10.445 1.00114.49 N ATOM 757 CA GLY F 108 77.477 -1.055 -11.115 1.00100.46 C ATOM 758 C GLY F 108 76.647 -2.234 -11.573 1.00 92.20 C ATOM 759 O GLY F 108 77.133 -3.375 -11.681 1.00 87.78 O ATOM 760 H GLY F 108 78.756 -1.442 -9.407 1.00 0.00 H ATOM 761 N THR F 109 75.385 -1.917 -11.857 1.00 79.01 N ATOM 762 CA THR F 109 74.366 -2.905 -12.199 1.00 73.13 C ATOM 763 C THR F 109 73.476 -2.297 -13.269 1.00 78.49 C ATOM 764 O THR F 109 73.028 -1.162 -13.122 1.00 81.18 O ATOM 765 CB THR F 109 73.533 -3.262 -10.950 1.00 72.01 C ATOM 766 OG1 THR F 109 74.365 -3.978 -10.034 1.00 77.40 O ATOM 767 CG2 THR F 109 72.308 -4.115 -11.286 1.00 68.89 C ATOM 768 HG1 THR F 109 75.134 -3.410 -9.775 1.00 0.00 H ATOM 769 H THR F 109 75.111 -0.914 -11.834 1.00 0.00 H ATOM 770 N TRP F 110 73.215 -3.066 -14.328 1.00 85.36 N ATOM 771 CA TRP F 110 72.457 -2.607 -15.494 1.00 79.33 C ATOM 772 C TRP F 110 71.090 -3.245 -15.536 1.00 73.26 C ATOM 773 O TRP F 110 70.964 -4.446 -15.327 1.00 77.29 O ATOM 774 CB TRP F 110 73.208 -2.973 -16.766 1.00 90.92 C ATOM 775 CG TRP F 110 74.265 -2.007 -17.084 1.00 97.00 C ATOM 776 CD1 TRP F 110 74.207 -1.029 -18.014 1.00 98.07 C ATOM 777 CD2 TRP F 110 75.544 -1.899 -16.457 1.00 94.48 C ATOM 778 NE1 TRP F 110 75.374 -0.317 -18.017 1.00103.65 N ATOM 779 CE2 TRP F 110 76.214 -0.831 -17.071 1.00 93.24 C ATOM 780 CE3 TRP F 110 76.188 -2.604 -15.440 1.00102.02 C ATOM 781 CZ2 TRP F 110 77.491 -0.440 -16.703 1.00 99.39 C ATOM 782 CZ3 TRP F 110 77.465 -2.216 -15.071 1.00107.60 C ATOM 783 CH2 TRP F 110 78.105 -1.139 -15.706 1.00110.10 C ATOM 784 HE1 TRP F 110 75.588 0.488 -18.640 1.00 0.00 H ATOM 785 H TRP F 110 73.569 -4.044 -14.325 1.00 0.00 H ATOM 786 N LEU F 111 70.073 -2.444 -15.818 1.00 69.13 N ATOM 787 CA LEU F 111 68.705 -2.932 -15.933 1.00 77.77 C ATOM 788 C LEU F 111 68.226 -2.631 -17.342 1.00 89.72 C ATOM 789 O LEU F 111 68.073 -1.457 -17.707 1.00110.55 O ATOM 790 CB LEU F 111 67.807 -2.252 -14.906 1.00 77.25 C ATOM 791 CG LEU F 111 66.309 -2.508 -15.029 1.00 77.32 C ATOM 792 CD1 LEU F 111 66.003 -3.989 -15.105 1.00 82.44 C ATOM 793 CD2 LEU F 111 65.580 -1.912 -13.835 1.00 88.71 C ATOM 794 H LEU F 111 70.258 -1.431 -15.962 1.00 0.00 H ATOM 795 N ASN F 112 67.996 -3.690 -18.125 1.00 94.07 N ATOM 796 CA ASN F 112 67.683 -3.576 -19.553 1.00 87.72 C ATOM 797 C ASN F 112 68.747 -2.712 -20.217 1.00 90.60 C ATOM 798 O ASN F 112 68.446 -1.736 -20.901 1.00 88.13 O ATOM 799 CB ASN F 112 66.272 -3.006 -19.785 1.00 81.64 C ATOM 800 CG ASN F 112 65.195 -3.839 -19.105 1.00 81.74 C ATOM 801 OD1 ASN F 112 65.233 -5.083 -19.117 1.00 75.48 O ATOM 802 ND2 ASN F 112 64.230 -3.160 -18.494 1.00 73.37 N ATOM 803 HD22 ASN F 112 64.237 -2.120 -18.508 1.00 0.00 H ATOM 804 HD21 ASN F 112 63.468 -3.668 -18.001 1.00 0.00 H ATOM 805 H ASN F 112 68.041 -4.639 -17.702 1.00 0.00 H ATOM 806 N GLY F 113 70.003 -3.057 -19.951 1.00 93.79 N ATOM 807 CA GLY F 113 71.134 -2.410 -20.590 1.00104.56 C ATOM 808 C GLY F 113 71.416 -0.953 -20.263 1.00116.51 C ATOM 809 O GLY F 113 72.295 -0.371 -20.883 1.00140.92 O ATOM 810 H GLY F 113 70.181 -3.816 -19.262 1.00 0.00 H ATOM 811 N GLN F 114 70.704 -0.366 -19.298 1.00121.80 N ATOM 812 CA GLN F 114 71.003 0.981 -18.787 1.00111.23 C ATOM 813 C GLN F 114 71.468 0.859 -17.344 1.00106.04 C ATOM 814 O GLN F 114 70.773 0.258 -16.535 1.00108.65 O ATOM 815 CB GLN F 114 69.763 1.861 -18.845 1.00106.31 C ATOM 816 CG GLN F 114 69.274 2.141 -20.251 1.00118.58 C ATOM 817 CD GLN F 114 67.764 2.423 -20.279 1.00133.34 C ATOM 818 OE1 GLN F 114 66.959 1.541 -19.965 1.00145.31 O ATOM 819 NE2 GLN F 114 67.378 3.649 -20.649 1.00130.99 N ATOM 820 HE22 GLN F 114 68.089 4.363 -20.906 1.00 0.00 H ATOM 821 HE21 GLN F 114 66.366 3.888 -20.680 1.00 0.00 H ATOM 822 H GLN F 114 69.901 -0.885 -18.889 1.00 0.00 H ATOM 823 N LYS F 115 72.637 1.417 -17.029 1.00102.99 N ATOM 824 CA LYS F 115 73.192 1.377 -15.669 1.00109.23 C ATOM 825 C LYS F 115 72.280 2.131 -14.708 1.00112.50 C ATOM 826 O LYS F 115 72.018 3.304 -14.916 1.00105.56 O ATOM 827 CB LYS F 115 74.582 2.014 -15.630 1.00107.84 C ATOM 828 CG LYS F 115 75.388 1.717 -14.373 1.00108.41 C ATOM 829 CD LYS F 115 76.599 2.635 -14.309 1.00114.09 C ATOM 830 CE LYS F 115 77.802 2.036 -13.584 1.00122.71 C ATOM 831 NZ LYS F 115 77.905 2.423 -12.147 1.00122.64 N ATOM 832 HZ1 LYS F 115 77.987 3.457 -12.073 1.00 0.00 H ATOM 833 HZ2 LYS F 115 77.054 2.104 -11.642 1.00 0.00 H ATOM 834 HZ3 LYS F 115 78.746 1.976 -11.728 1.00 0.00 H ATOM 835 H LYS F 115 73.177 1.900 -17.775 1.00 0.00 H ATOM 836 N VAL F 116 71.775 1.459 -13.672 1.00114.34 N ATOM 837 CA VAL F 116 70.914 2.128 -12.689 1.00106.32 C ATOM 838 C VAL F 116 71.777 2.937 -11.736 1.00103.06 C ATOM 839 O VAL F 116 72.966 2.649 -11.554 1.00 91.19 O ATOM 840 CB VAL F 116 70.015 1.157 -11.890 1.00107.74 C ATOM 841 CG1 VAL F 116 69.162 0.323 -12.829 1.00106.83 C ATOM 842 CG2 VAL F 116 70.821 0.260 -10.947 1.00115.13 C ATOM 843 H VAL F 116 71.994 0.449 -13.559 1.00 0.00 H ATOM 844 N GLU F 117 71.154 3.950 -11.134 1.00100.94 N ATOM 845 CA GLU F 117 71.820 4.821 -10.173 1.00101.47 C ATOM 846 C GLU F 117 72.049 4.027 -8.884 1.00 94.27 C ATOM 847 O GLU F 117 71.131 3.372 -8.381 1.00104.26 O ATOM 848 CB GLU F 117 70.964 6.054 -9.893 1.00114.44 C ATOM 849 CG GLU F 117 71.728 7.236 -9.304 1.00122.12 C ATOM 850 CD GLU F 117 70.831 8.239 -8.581 1.00127.55 C ATOM 851 OE1 GLU F 117 69.584 8.089 -8.548 1.00137.14 O ATOM 852 OE2 GLU F 117 71.374 9.218 -8.025 1.00129.43 O ATOM 853 H GLU F 117 70.154 4.126 -11.359 1.00 0.00 H ATOM 854 N LYS F 118 73.264 4.084 -8.356 1.00 94.29 N ATOM 855 CA LYS F 118 73.596 3.360 -7.128 1.00 93.89 C ATOM 856 C LYS F 118 72.754 3.829 -5.922 1.00 90.35 C ATOM 857 O LYS F 118 72.415 5.003 -5.809 1.00 92.68 O ATOM 858 CB LYS F 118 75.086 3.464 -6.807 1.00 91.52 C ATOM 859 CG LYS F 118 75.533 2.473 -5.753 1.00 91.60 C ATOM 860 CD LYS F 118 77.024 2.525 -5.522 1.00 94.24 C ATOM 861 CE LYS F 118 77.416 1.740 -4.286 1.00101.12 C ATOM 862 NZ LYS F 118 78.810 2.004 -3.860 1.00106.23 N ATOM 863 HZ1 LYS F 118 79.461 1.739 -4.626 1.00 0.00 H ATOM 864 HZ2 LYS F 118 78.920 3.015 -3.644 1.00 0.00 H ATOM 865 HZ3 LYS F 118 79.024 1.442 -3.012 1.00 0.00 H ATOM 866 H LYS F 118 73.996 4.655 -8.824 1.00 0.00 H ATOM 867 N ASN F 119 72.393 2.880 -5.067 1.00 82.28 N ATOM 868 CA ASN F 119 71.524 3.120 -3.915 1.00 83.52 C ATOM 869 C ASN F 119 70.167 3.754 -4.249 1.00 80.77 C ATOM 870 O ASN F 119 69.588 4.435 -3.422 1.00 84.85 O ATOM 871 CB ASN F 119 72.295 3.894 -2.841 1.00 78.44 C ATOM 872 CG ASN F 119 73.350 3.026 -2.178 1.00 83.36 C ATOM 873 OD1 ASN F 119 74.563 3.262 -2.300 1.00 87.59 O ATOM 874 ND2 ASN F 119 72.878 1.983 -1.473 1.00 80.91 N ATOM 875 HD22 ASN F 119 71.852 1.826 -1.400 1.00 0.00 H ATOM 876 HD21 ASN F 119 73.538 1.333 -1.001 1.00 0.00 H ATOM 877 H ASN F 119 72.747 1.915 -5.224 1.00 0.00 H ATOM 878 N SER F 120 69.664 3.487 -5.453 1.00 80.86 N ATOM 879 CA SER F 120 68.319 3.899 -5.873 1.00 80.89 C ATOM 880 C SER F 120 67.401 2.687 -5.851 1.00 82.48 C ATOM 881 O SER F 120 67.853 1.552 -5.663 1.00 80.35 O ATOM 882 CB SER F 120 68.353 4.458 -7.286 1.00 86.66 C ATOM 883 OG SER F 120 68.656 3.426 -8.213 1.00107.52 O ATOM 884 HG SER F 120 69.540 3.038 -7.996 1.00 0.00 H ATOM 885 H SER F 120 70.253 2.961 -6.129 1.00 0.00 H ATOM 886 N TYR F 121 66.112 2.925 -6.073 1.00 81.34 N ATOM 887 CA TYR F 121 65.114 1.862 -5.999 1.00 82.02 C ATOM 888 C TYR F 121 64.286 1.850 -7.288 1.00 87.89 C ATOM 889 O TYR F 121 63.309 2.578 -7.405 1.00 90.62 O ATOM 890 CB TYR F 121 64.269 2.012 -4.694 1.00 83.83 C ATOM 891 CG TYR F 121 65.151 1.883 -3.456 1.00 84.30 C ATOM 892 CD1 TYR F 121 65.459 0.633 -2.922 1.00 84.81 C ATOM 893 CD2 TYR F 121 65.755 2.990 -2.884 1.00 80.29 C ATOM 894 CE1 TYR F 121 66.279 0.492 -1.820 1.00 83.03 C ATOM 895 CE2 TYR F 121 66.617 2.866 -1.798 1.00 83.16 C ATOM 896 CZ TYR F 121 66.876 1.608 -1.255 1.00 91.38 C ATOM 897 OH TYR F 121 67.729 1.476 -0.168 1.00102.02 O ATOM 898 HH TYR F 121 67.796 0.521 0.083 1.00 0.00 H ATOM 899 H TYR F 121 65.807 3.892 -6.305 1.00 0.00 H ATOM 900 N GLN F 122 64.690 1.026 -8.258 1.00 90.65 N ATOM 901 CA GLN F 122 64.047 0.988 -9.594 1.00 86.08 C ATOM 902 C GLN F 122 62.995 -0.113 -9.704 1.00 84.55 C ATOM 903 O GLN F 122 63.245 -1.240 -9.270 1.00 89.41 O ATOM 904 CB GLN F 122 65.091 0.769 -10.691 1.00 86.81 C ATOM 905 CG GLN F 122 66.305 1.688 -10.629 1.00 88.55 C ATOM 906 CD GLN F 122 66.003 3.135 -10.919 1.00 90.84 C ATOM 907 OE1 GLN F 122 64.854 3.532 -11.090 1.00 95.77 O ATOM 908 NE2 GLN F 122 67.071 3.947 -10.998 1.00 88.73 N ATOM 909 HE22 GLN F 122 68.027 3.566 -10.845 1.00 0.00 H ATOM 910 HE21 GLN F 122 66.942 4.957 -11.212 1.00 0.00 H ATOM 911 H GLN F 122 65.487 0.385 -8.069 1.00 0.00 H ATOM 912 N LEU F 123 61.849 0.208 -10.308 1.00 88.31 N ATOM 913 CA LEU F 123 60.750 -0.756 -10.489 1.00 91.91 C ATOM 914 C LEU F 123 61.120 -1.840 -11.495 1.00 92.10 C ATOM 915 O LEU F 123 61.606 -1.525 -12.580 1.00 98.05 O ATOM 916 CB LEU F 123 59.496 -0.043 -11.014 1.00 85.75 C ATOM 917 CG LEU F 123 58.207 -0.885 -10.907 1.00 97.76 C ATOM 918 CD1 LEU F 123 57.624 -0.878 -9.475 1.00108.21 C ATOM 919 CD2 LEU F 123 57.175 -0.395 -11.901 1.00 97.99 C ATOM 920 H LEU F 123 61.727 1.177 -10.665 1.00 0.00 H ATOM 921 N LEU F 124 60.889 -3.096 -11.134 1.00 84.31 N ATOM 922 CA LEU F 124 61.104 -4.222 -12.035 1.00 84.29 C ATOM 923 C LEU F 124 59.805 -4.579 -12.727 1.00 86.72 C ATOM 924 O LEU F 124 58.790 -4.844 -12.084 1.00 89.28 O ATOM 925 CB LEU F 124 61.636 -5.450 -11.309 1.00 81.50 C ATOM 926 CG LEU F 124 63.055 -5.338 -10.786 1.00 80.15 C ATOM 927 CD1 LEU F 124 63.375 -6.551 -9.938 1.00 77.26 C ATOM 928 CD2 LEU F 124 64.035 -5.256 -11.928 1.00 88.50 C ATOM 929 H LEU F 124 60.541 -3.284 -10.172 1.00 0.00 H ATOM 930 N SER F 125 59.853 -4.527 -14.063 1.00101.52 N ATOM 931 CA SER F 125 58.780 -4.978 -14.927 1.00 97.58 C ATOM 932 C SER F 125 59.020 -6.446 -15.301 1.00 92.79 C ATOM 933 O SER F 125 60.142 -6.972 -15.194 1.00 96.76 O ATOM 934 CB SER F 125 58.706 -4.127 -16.198 1.00104.20 C ATOM 935 OG SER F 125 58.770 -2.736 -15.921 1.00109.64 O ATOM 936 HG SER F 125 58.719 -2.229 -16.770 1.00 0.00 H ATOM 937 H SER F 125 60.710 -4.140 -14.508 1.00 0.00 H ATOM 938 N GLN F 126 57.945 -7.086 -15.743 1.00 87.29 N ATOM 939 CA GLN F 126 58.007 -8.418 -16.323 1.00 81.37 C ATOM 940 C GLN F 126 59.087 -8.569 -17.394 1.00 75.75 C ATOM 941 O GLN F 126 59.272 -7.676 -18.221 1.00 68.40 O ATOM 942 CB GLN F 126 56.630 -8.821 -16.854 1.00 81.77 C ATOM 943 CG GLN F 126 56.588 -10.178 -17.495 1.00 86.83 C ATOM 944 CD GLN F 126 56.930 -11.303 -16.536 1.00 84.97 C ATOM 945 OE1 GLN F 126 56.080 -12.006 -16.048 1.00 77.35 O ATOM 946 NE2 GLN F 126 58.202 -11.399 -16.109 1.00 87.28 N ATOM 947 HE22 GLN F 126 58.938 -10.795 -16.527 1.00 0.00 H ATOM 948 HE21 GLN F 126 58.450 -12.078 -15.361 1.00 0.00 H ATOM 949 H GLN F 126 57.020 -6.616 -15.672 1.00 0.00 H ATOM 950 N GLY F 127 59.825 -9.678 -17.340 1.00 71.52 N ATOM 951 CA GLY F 127 60.846 -9.948 -18.331 1.00 75.50 C ATOM 952 C GLY F 127 62.058 -9.040 -18.334 1.00 72.94 C ATOM 953 O GLY F 127 62.801 -9.048 -19.307 1.00 79.87 O ATOM 954 H GLY F 127 59.665 -10.361 -16.573 1.00 0.00 H ATOM 955 N ASP F 128 62.289 -8.271 -17.272 1.00 80.42 N ATOM 956 CA ASP F 128 63.441 -7.351 -17.238 1.00 78.20 C ATOM 957 C ASP F 128 64.748 -8.113 -17.175 1.00 74.42 C ATOM 958 O ASP F 128 64.788 -9.235 -16.677 1.00 69.67 O ATOM 959 CB ASP F 128 63.354 -6.393 -16.038 1.00 83.01 C ATOM 960 CG ASP F 128 62.444 -5.197 -16.292 1.00 92.35 C ATOM 961 OD1 ASP F 128 61.828 -5.116 -17.376 1.00101.94 O ATOM 962 OD2 ASP F 128 62.339 -4.345 -15.395 1.00 90.86 O ATOM 963 H ASP F 128 61.648 -8.320 -16.455 1.00 0.00 H ATOM 964 N GLU F 129 65.807 -7.498 -17.696 1.00 77.10 N ATOM 965 CA GLU F 129 67.119 -8.139 -17.760 1.00 84.81 C ATOM 966 C GLU F 129 68.140 -7.384 -16.905 1.00 76.60 C ATOM 967 O GLU F 129 68.547 -6.258 -17.225 1.00 85.32 O ATOM 968 CB GLU F 129 67.594 -8.228 -19.216 1.00 98.66 C ATOM 969 CG GLU F 129 68.850 -9.055 -19.450 1.00106.57 C ATOM 970 CD GLU F 129 69.291 -9.065 -20.929 1.00115.21 C ATOM 971 OE1 GLU F 129 68.855 -8.203 -21.753 1.00118.89 O ATOM 972 OE2 GLU F 129 70.064 -9.944 -21.332 1.00113.02 O ATOM 973 H GLU F 129 65.698 -6.533 -18.068 1.00 0.00 H ATOM 974 N ILE F 130 68.571 -8.034 -15.835 1.00 72.89 N ATOM 975 CA ILE F 130 69.570 -7.498 -14.910 1.00 76.42 C ATOM 976 C ILE F 130 70.935 -8.016 -15.335 1.00 74.07 C ATOM 977 O ILE F 130 71.112 -9.213 -15.514 1.00 77.40 O ATOM 978 CB ILE F 130 69.233 -7.916 -13.456 1.00 76.73 C ATOM 979 CG1 ILE F 130 67.827 -7.407 -13.087 1.00 82.75 C ATOM 980 CG2 ILE F 130 70.199 -7.302 -12.471 1.00 75.79 C ATOM 981 CD1 ILE F 130 67.342 -7.800 -11.715 1.00 75.93 C ATOM 982 H ILE F 130 68.178 -8.977 -15.641 1.00 0.00 H ATOM 983 N THR F 131 71.899 -7.113 -15.482 1.00 76.16 N ATOM 984 CA THR F 131 73.212 -7.441 -16.061 1.00 86.39 C ATOM 985 C THR F 131 74.324 -6.882 -15.199 1.00 85.67 C ATOM 986 O THR F 131 74.224 -5.745 -14.754 1.00 80.07 O ATOM 987 CB THR F 131 73.371 -6.809 -17.468 1.00 89.27 C ATOM 988 OG1 THR F 131 72.106 -6.295 -17.948 1.00 95.91 O ATOM 989 CG2 THR F 131 73.915 -7.807 -18.420 1.00 84.39 C ATOM 990 HG1 THR F 131 71.774 -5.603 -17.323 1.00 0.00 H ATOM 991 H THR F 131 71.718 -6.136 -15.176 1.00 0.00 H ATOM 992 N VAL F 132 75.380 -7.662 -14.978 1.00 93.45 N ATOM 993 CA VAL F 132 76.549 -7.190 -14.206 1.00 98.63 C ATOM 994 C VAL F 132 77.820 -7.505 -14.986 1.00102.29 C ATOM 995 O VAL F 132 77.833 -8.386 -15.812 1.00101.34 O ATOM 996 CB VAL F 132 76.605 -7.815 -12.789 1.00 96.64 C ATOM 997 CG1 VAL F 132 75.325 -7.515 -12.036 1.00102.04 C ATOM 998 CG2 VAL F 132 76.837 -9.316 -12.831 1.00 94.49 C ATOM 999 H VAL F 132 75.383 -8.630 -15.359 1.00 0.00 H ATOM 1000 N ARG F 133 78.904 -6.809 -14.712 1.00115.13 N ATOM 1001 CA ARG F 133 80.171 -7.065 -15.428 1.00111.68 C ATOM 1002 C ARG F 133 81.027 -8.075 -14.681 1.00112.58 C ATOM 1003 O ARG F 133 80.994 -8.137 -13.431 1.00119.21 O ATOM 1004 CB ARG F 133 80.938 -5.783 -15.585 1.00116.09 C ATOM 1005 CG ARG F 133 80.231 -4.761 -16.468 1.00127.44 C ATOM 1006 CD ARG F 133 80.414 -3.313 -16.007 1.00144.44 C ATOM 1007 NE ARG F 133 81.801 -2.856 -16.097 1.00160.10 N ATOM 1008 CZ ARG F 133 82.361 -1.888 -15.374 1.00168.79 C ATOM 1009 NH1 ARG F 133 81.651 -1.192 -14.478 1.00188.24 N ATOM 1010 NH2 ARG F 133 83.651 -1.610 -15.539 1.00156.26 N ATOM 1011 HE ARG F 133 82.408 -3.333 -16.793 1.00 0.00 H ATOM 1012 HH12 ARG F 133 82.108 -0.440 -13.924 1.00 0.00 H ATOM 1013 HH11 ARG F 133 80.643 -1.403 -14.336 1.00 0.00 H ATOM 1014 HH22 ARG F 133 84.096 -0.856 -14.978 1.00 0.00 H ATOM 1015 HH21 ARG F 133 84.215 -2.147 -16.229 1.00 0.00 H ATOM 1016 H ARG F 133 78.868 -6.069 -13.982 1.00 0.00 H ATOM 1017 N THR F 134 81.741 -8.892 -15.452 1.00118.45 N ATOM 1018 CA THR F 134 82.553 -10.020 -14.952 1.00124.33 C ATOM 1019 C THR F 134 84.037 -9.836 -15.291 1.00132.15 C ATOM 1020 O THR F 134 84.914 -10.067 -14.447 1.00124.99 O ATOM 1021 CB THR F 134 82.051 -11.337 -15.566 1.00121.48 C ATOM 1022 OG1 THR F 134 81.508 -11.074 -16.864 1.00107.26 O ATOM 1023 CG2 THR F 134 80.936 -11.954 -14.699 1.00122.54 C ATOM 1024 HG1 THR F 134 82.211 -10.684 -17.442 1.00 0.00 H ATOM 1025 H THR F 134 81.726 -8.724 -16.478 1.00 0.00 H ATOM 1026 N ASP F 135 84.331 -9.462 -16.534 1.00152.18 N ATOM 1027 CA ASP F 135 85.702 -9.129 -16.958 1.00160.90 C ATOM 1028 C ASP F 135 85.850 -7.627 -17.211 1.00158.21 C ATOM 1029 O ASP F 135 84.870 -6.937 -17.544 1.00145.94 O ATOM 1030 CB ASP F 135 86.095 -9.824 -18.287 1.00176.17 C ATOM 1031 CG ASP F 135 86.078 -11.339 -18.208 1.00184.70 C ATOM 1032 OD1 ASP F 135 86.337 -11.914 -17.128 1.00195.08 O ATOM 1033 OD2 ASP F 135 85.818 -11.953 -19.268 1.00179.69 O ATOM 1034 H ASP F 135 83.563 -9.403 -17.233 1.00 0.00 H ATOM 1035 N PRO F 136 87.106 -7.124 -17.168 1.00156.30 N ATOM 1036 CA PRO F 136 87.397 -5.819 -17.801 1.00150.72 C ATOM 1037 C PRO F 136 87.226 -5.816 -19.347 1.00145.67 C ATOM 1038 O PRO F 136 86.958 -4.764 -19.922 1.00117.98 O ATOM 1039 CB PRO F 136 88.844 -5.535 -17.393 1.00143.35 C ATOM 1040 CG PRO F 136 89.434 -6.855 -17.041 1.00143.93 C ATOM 1041 CD PRO F 136 88.324 -7.789 -16.660 1.00140.31 C ATOM 1042 N THR F 137 87.377 -6.987 -19.983 1.00148.48 N ATOM 1043 CA THR F 137 87.088 -7.219 -21.417 1.00149.27 C ATOM 1044 C THR F 137 85.639 -6.905 -21.850 1.00155.08 C ATOM 1045 O THR F 137 85.378 -6.720 -23.041 1.00127.68 O ATOM 1046 CB THR F 137 87.395 -8.690 -21.841 1.00145.06 C ATOM 1047 OG1 THR F 137 86.427 -9.576 -21.278 1.00137.03 O ATOM 1048 CG2 THR F 137 88.816 -9.124 -21.450 1.00144.82 C ATOM 1049 HG1 THR F 137 86.632 -10.505 -21.553 1.00 0.00 H ATOM 1050 H THR F 137 87.724 -7.794 -19.426 1.00 0.00 H ATOM 1051 N GLY F 138 84.714 -6.861 -20.897 1.00163.21 N ATOM 1052 CA GLY F 138 83.338 -6.465 -21.170 1.00148.50 C ATOM 1053 C GLY F 138 82.483 -7.671 -21.473 1.00133.48 C ATOM 1054 O GLY F 138 81.508 -7.569 -22.216 1.00111.01 O ATOM 1055 H GLY F 138 84.980 -7.117 -19.925 1.00 0.00 H ATOM 1056 N THR F 139 82.852 -8.824 -20.917 1.00125.79 N ATOM 1057 CA THR F 139 81.907 -9.934 -20.796 1.00128.97 C ATOM 1058 C THR F 139 81.024 -9.641 -19.576 1.00124.57 C ATOM 1059 O THR F 139 81.315 -8.775 -18.740 1.00110.33 O ATOM 1060 CB THR F 139 82.574 -11.330 -20.694 1.00135.64 C ATOM 1061 OG1 THR F 139 83.185 -11.494 -19.417 1.00113.73 O ATOM 1062 CG2 THR F 139 83.612 -11.555 -21.806 1.00155.64 C ATOM 1063 HG1 THR F 139 82.497 -11.412 -18.710 1.00 0.00 H ATOM 1064 H THR F 139 83.824 -8.936 -20.565 1.00 0.00 H ATOM 1065 N ILE F 140 79.945 -10.389 -19.501 1.00114.17 N ATOM 1066 CA ILE F 140 78.777 -10.019 -18.694 1.00102.07 C ATOM 1067 C ILE F 140 78.155 -11.267 -18.078 1.00105.07 C ATOM 1068 O ILE F 140 78.286 -12.385 -18.595 1.00129.36 O ATOM 1069 CB ILE F 140 77.737 -9.187 -19.513 1.00 91.93 C ATOM 1070 CG1 ILE F 140 76.903 -10.027 -20.531 1.00 92.67 C ATOM 1071 CG2 ILE F 140 78.397 -7.926 -20.076 1.00 89.02 C ATOM 1072 CD1 ILE F 140 75.901 -9.233 -21.314 1.00 90.82 C ATOM 1073 H ILE F 140 79.919 -11.280 -20.036 1.00 0.00 H ATOM 1074 N LEU F 141 77.435 -11.070 -16.976 1.00100.71 N ATOM 1075 CA LEU F 141 76.499 -12.064 -16.451 1.00 98.33 C ATOM 1076 C LEU F 141 75.095 -11.429 -16.538 1.00 97.89 C ATOM 1077 O LEU F 141 74.923 -10.236 -16.272 1.00 88.89 O ATOM 1078 CB LEU F 141 76.896 -12.411 -15.039 1.00 96.56 C ATOM 1079 CG LEU F 141 75.955 -13.365 -14.249 1.00102.55 C ATOM 1080 CD1 LEU F 141 75.435 -14.592 -14.996 1.00105.09 C ATOM 1081 CD2 LEU F 141 76.640 -13.807 -12.963 1.00116.82 C ATOM 1082 H LEU F 141 77.543 -10.170 -16.466 1.00 0.00 H ATOM 1083 N SER F 142 74.129 -12.226 -16.992 1.00 95.46 N ATOM 1084 CA SER F 142 72.827 -11.670 -17.380 1.00 92.34 C ATOM 1085 C SER F 142 71.710 -12.541 -16.845 1.00 88.47 C ATOM 1086 O SER F 142 71.695 -13.761 -17.080 1.00 78.54 O ATOM 1087 CB SER F 142 72.727 -11.588 -18.887 1.00 97.64 C ATOM 1088 OG SER F 142 71.640 -10.783 -19.282 1.00 95.83 O ATOM 1089 HG SER F 142 71.599 -10.748 -20.271 1.00 0.00 H ATOM 1090 H SER F 142 74.298 -13.249 -17.072 1.00 0.00 H ATOM 1091 N LEU F 143 70.803 -11.917 -16.089 1.00 81.79 N ATOM 1092 CA LEU F 143 69.706 -12.609 -15.417 1.00 81.61 C ATOM 1093 C LEU F 143 68.394 -11.999 -15.888 1.00 77.43 C ATOM 1094 O LEU F 143 68.334 -10.804 -16.171 1.00 76.31 O ATOM 1095 CB LEU F 143 69.799 -12.438 -13.915 1.00 78.32 C ATOM 1096 CG LEU F 143 71.135 -12.688 -13.240 1.00 81.17 C ATOM 1097 CD1 LEU F 143 70.921 -12.533 -11.713 1.00 84.71 C ATOM 1098 CD2 LEU F 143 71.782 -14.003 -13.648 1.00 93.68 C ATOM 1099 H LEU F 143 70.882 -10.887 -15.973 1.00 0.00 H ATOM 1100 N VAL F 144 67.345 -12.812 -15.953 1.00 65.24 N ATOM 1101 CA VAL F 144 66.054 -12.332 -16.414 1.00 71.63 C ATOM 1102 C VAL F 144 64.988 -12.640 -15.381 1.00 73.00 C ATOM 1103 O VAL F 144 64.909 -13.772 -14.881 1.00 82.00 O ATOM 1104 CB VAL F 144 65.690 -12.949 -17.779 1.00 81.53 C ATOM 1105 CG1 VAL F 144 64.303 -12.518 -18.228 1.00 88.13 C ATOM 1106 CG2 VAL F 144 66.715 -12.508 -18.817 1.00 85.63 C ATOM 1107 H VAL F 144 67.450 -13.807 -15.669 1.00 0.00 H ATOM 1108 N ILE F 145 64.168 -11.628 -15.080 1.00 73.23 N ATOM 1109 CA ILE F 145 63.161 -11.750 -14.033 1.00 80.36 C ATOM 1110 C ILE F 145 61.862 -12.133 -14.679 1.00 83.82 C ATOM 1111 O ILE F 145 61.446 -11.491 -15.672 1.00 85.11 O ATOM 1112 CB ILE F 145 62.949 -10.413 -13.265 1.00 82.17 C ATOM 1113 CG1 ILE F 145 64.283 -9.825 -12.798 1.00 85.17 C ATOM 1114 CG2 ILE F 145 62.027 -10.600 -12.068 1.00 86.87 C ATOM 1115 CD1 ILE F 145 65.131 -10.779 -11.998 1.00 90.35 C ATOM 1116 H ILE F 145 64.250 -10.734 -15.604 1.00 0.00 H ATOM 1117 N PHE F 146 61.240 -13.176 -14.123 1.00 83.57 N ATOM 1118 CA PHE F 146 59.937 -13.613 -14.579 1.00 87.91 C ATOM 1119 C PHE F 146 59.068 -13.532 -13.338 1.00 90.17 C ATOM 1120 O PHE F 146 59.329 -14.198 -12.332 1.00 86.03 O ATOM 1121 CB PHE F 146 59.990 -14.980 -15.227 1.00 85.84 C ATOM 1122 CG PHE F 146 58.651 -15.569 -15.521 1.00 90.81 C ATOM 1123 CD1 PHE F 146 57.694 -14.944 -16.348 1.00 91.79 C ATOM 1124 CD2 PHE F 146 58.354 -16.783 -15.014 1.00 96.20 C ATOM 1125 CE1 PHE F 146 56.497 -15.537 -16.611 1.00 89.46 C ATOM 1126 CE2 PHE F 146 57.117 -17.423 -15.296 1.00 98.58 C ATOM 1127 CZ PHE F 146 56.198 -16.776 -16.087 1.00 93.34 C ATOM 1128 H PHE F 146 61.703 -13.687 -13.344 1.00 0.00 H ATOM 1129 N ILE F 147 58.077 -12.647 -13.373 1.00 88.60 N ATOM 1130 CA ILE F 147 57.318 -12.251 -12.230 1.00 91.16 C ATOM 1131 C ILE F 147 56.008 -13.036 -12.260 1.00 98.26 C ATOM 1132 O ILE F 147 55.247 -12.954 -13.214 1.00116.63 O ATOM 1133 CB ILE F 147 57.036 -10.756 -12.178 1.00 85.96 C ATOM 1134 CG1 ILE F 147 58.376 -9.990 -12.244 1.00 83.99 C ATOM 1135 CG2 ILE F 147 56.248 -10.388 -10.923 1.00 94.93 C ATOM 1136 CD1 ILE F 147 58.330 -8.414 -12.348 1.00 85.61 C ATOM 1137 H ILE F 147 57.840 -12.216 -14.289 1.00 0.00 H ATOM 1138 N ASN F 148 55.761 -13.807 -11.199 1.00 97.43 N ATOM 1139 CA ASN F 148 54.548 -14.592 -11.072 1.00104.60 C ATOM 1140 C ASN F 148 53.373 -13.664 -10.736 1.00113.86 C ATOM 1141 O ASN F 148 53.245 -13.196 -9.592 1.00149.03 O ATOM 1142 CB ASN F 148 54.710 -15.663 -9.995 1.00101.63 C ATOM 1143 CG ASN F 148 53.413 -16.422 -9.708 1.00112.78 C ATOM 1144 OD1 ASN F 148 52.419 -16.273 -10.421 1.00116.63 O ATOM 1145 ND2 ASN F 148 53.408 -17.228 -8.657 1.00130.30 N ATOM 1146 HD22 ASN F 148 54.265 -17.331 -8.076 1.00 0.00 H ATOM 1147 HD21 ASN F 148 52.547 -17.758 -8.412 1.00 0.00 H ATOM 1148 H ASN F 148 56.465 -13.846 -10.434 1.00 0.00 H ATOM 1149 N ASP F 149 52.520 -13.423 -11.738 1.00105.48 N ATOM 1150 CA ASP F 149 51.314 -12.623 -11.537 1.00115.85 C ATOM 1151 C ASP F 149 50.317 -13.222 -10.553 1.00120.14 C ATOM 1152 O ASP F 149 49.595 -12.485 -9.913 1.00123.84 O ATOM 1153 CB ASP F 149 50.622 -12.346 -12.868 1.00122.43 C ATOM 1154 CG ASP F 149 51.145 -11.088 -13.521 1.00137.05 C ATOM 1155 OD1 ASP F 149 50.813 -9.980 -13.025 1.00142.13 O ATOM 1156 OD2 ASP F 149 51.881 -11.215 -14.517 1.00154.78 O ATOM 1157 H ASP F 149 52.720 -13.814 -12.681 1.00 0.00 H ATOM 1158 N LYS F 150 50.288 -14.541 -10.431 1.00121.52 N ATOM 1159 CA LYS F 150 49.332 -15.229 -9.546 1.00138.59 C ATOM 1160 C LYS F 150 49.573 -14.870 -8.080 1.00132.46 C ATOM 1161 O LYS F 150 48.631 -14.844 -7.288 1.00156.83 O ATOM 1162 CB LYS F 150 49.348 -16.762 -9.740 1.00146.64 C ATOM 1163 CG LYS F 150 49.005 -17.204 -11.161 1.00150.73 C ATOM 1164 CD LYS F 150 49.877 -18.318 -11.754 1.00146.62 C ATOM 1165 CE LYS F 150 49.652 -18.420 -13.270 1.00136.67 C ATOM 1166 NZ LYS F 150 50.875 -18.649 -14.121 1.00130.57 N ATOM 1167 HZ1 LYS F 150 51.542 -17.863 -13.986 1.00 0.00 H ATOM 1168 HZ2 LYS F 150 51.328 -19.542 -13.841 1.00 0.00 H ATOM 1169 HZ3 LYS F 150 50.595 -18.700 -15.121 1.00 0.00 H ATOM 1170 H LYS F 150 50.964 -15.111 -10.979 1.00 0.00 H ATOM 1171 N PHE F 151 50.819 -14.578 -7.734 1.00121.81 N ATOM 1172 CA PHE F 151 51.162 -14.132 -6.377 1.00112.78 C ATOM 1173 C PHE F 151 50.659 -12.720 -6.081 1.00111.32 C ATOM 1174 O PHE F 151 50.105 -12.472 -5.010 1.00118.94 O ATOM 1175 CB PHE F 151 52.669 -14.167 -6.177 1.00105.92 C ATOM 1176 CG PHE F 151 53.110 -13.710 -4.825 1.00 96.03 C ATOM 1177 CD1 PHE F 151 53.165 -14.604 -3.774 1.00 98.98 C ATOM 1178 CD2 PHE F 151 53.495 -12.400 -4.612 1.00 86.02 C ATOM 1179 CE1 PHE F 151 53.594 -14.208 -2.516 1.00 98.10 C ATOM 1180 CE2 PHE F 151 53.911 -11.975 -3.359 1.00 82.63 C ATOM 1181 CZ PHE F 151 53.955 -12.881 -2.306 1.00 88.47 C ATOM 1182 H PHE F 151 51.575 -14.667 -8.443 1.00 0.00 H ATOM 1183 N LYS F 152 50.901 -11.803 -7.004 1.00107.73 N ATOM 1184 CA LYS F 152 50.432 -10.424 -6.886 1.00114.60 C ATOM 1185 C LYS F 152 48.922 -10.401 -6.680 1.00128.93 C ATOM 1186 O LYS F 152 48.423 -9.812 -5.726 1.00142.15 O ATOM 1187 CB LYS F 152 50.819 -9.601 -8.135 1.00108.65 C ATOM 1188 CG LYS F 152 50.406 -8.151 -8.078 1.00109.62 C ATOM 1189 CD LYS F 152 51.232 -7.238 -8.987 1.00119.28 C ATOM 1190 CE LYS F 152 50.888 -5.790 -8.682 1.00129.35 C ATOM 1191 NZ LYS F 152 51.161 -4.891 -9.862 1.00132.91 N ATOM 1192 HZ1 LYS F 152 52.170 -4.943 -10.110 1.00 0.00 H ATOM 1193 HZ2 LYS F 152 50.587 -5.201 -10.672 1.00 0.00 H ATOM 1194 HZ3 LYS F 152 50.914 -3.912 -9.615 1.00 0.00 H ATOM 1195 H LYS F 152 51.447 -12.075 -7.847 1.00 0.00 H ATOM 1196 N GLN F 153 48.208 -11.074 -7.574 1.00148.42 N ATOM 1197 CA GLN F 153 46.738 -11.134 -7.512 1.00146.11 C ATOM 1198 C GLN F 153 46.273 -11.845 -6.250 1.00142.93 C ATOM 1199 O GLN F 153 45.256 -11.457 -5.684 1.00165.08 O ATOM 1200 CB GLN F 153 46.143 -11.755 -8.792 1.00145.02 C ATOM 1201 CG GLN F 153 46.284 -10.866 -10.044 1.00143.83 C ATOM 1202 CD GLN F 153 46.327 -11.636 -11.363 1.00148.07 C ATOM 1203 OE1 GLN F 153 45.486 -12.496 -11.637 1.00150.45 O ATOM 1204 NE2 GLN F 153 47.302 -11.310 -12.194 1.00145.73 N ATOM 1205 HE22 GLN F 153 47.992 -10.579 -11.925 1.00 0.00 H ATOM 1206 HE21 GLN F 153 47.380 -11.784 -13.116 1.00 0.00 H ATOM 1207 H GLN F 153 48.701 -11.574 -8.341 1.00 0.00 H ATOM 1208 N SER F 154 47.019 -12.837 -5.789 1.00125.47 N ATOM 1209 CA SER F 154 46.767 -13.458 -4.469 1.00131.17 C ATOM 1210 C SER F 154 46.790 -12.454 -3.219 1.00149.73 C ATOM 1211 O SER F 154 47.550 -12.496 -2.211 1.00136.49 O ATOM 1212 CB SER F 154 47.660 -14.692 -4.277 1.00127.83 C ATOM 1213 OG SER F 154 47.518 -15.179 -2.952 1.00132.67 O ATOM 1214 HG SER F 154 47.788 -14.474 -2.312 1.00 0.00 H ATOM 1215 H SER F 154 47.805 -13.190 -6.371 1.00 0.00 H ATOM 1216 N LEU F 155 45.703 -11.671 -3.212 1.00165.00 N ATOM 1217 CA LEU F 155 45.288 -10.778 -2.130 1.00154.42 C ATOM 1218 C LEU F 155 44.245 -11.685 -1.389 1.00163.77 C ATOM 1219 O LEU F 155 43.195 -11.242 -0.964 1.00143.95 O ATOM 1220 CB LEU F 155 44.600 -9.518 -2.705 1.00133.18 C ATOM 1221 CG LEU F 155 45.237 -8.699 -3.810 1.00125.42 C ATOM 1222 CD1 LEU F 155 44.191 -7.815 -4.456 1.00112.46 C ATOM 1223 CD2 LEU F 155 46.388 -7.872 -3.272 1.00130.53 C ATOM 1224 H LEU F 155 45.096 -11.701 -4.056 1.00 0.00 H ATOM 1225 N GLU F 156 44.603 -12.972 -1.249 1.00165.08 N ATOM 1226 CA GLU F 156 43.700 -14.127 -1.042 1.00151.59 C ATOM 1227 C GLU F 156 42.184 -13.898 -1.215 1.00148.85 C ATOM 1228 O GLU F 156 41.466 -13.582 -0.266 1.00145.11 O ATOM 1229 CB GLU F 156 44.033 -14.780 0.303 1.00143.88 C ATOM 1230 CG GLU F 156 44.416 -13.778 1.391 1.00142.28 C ATOM 1231 CD GLU F 156 44.939 -14.430 2.652 1.00143.89 C ATOM 1232 OE1 GLU F 156 45.332 -15.624 2.619 1.00138.25 O ATOM 1233 OE2 GLU F 156 44.971 -13.723 3.681 1.00134.37 O ATOM 1234 H GLU F 156 45.621 -13.179 -1.290 1.00 0.00 H TER 1235 GLU F 156 HETATM 1236 O HOH 1 78.006 -4.061 -1.898 1.00 56.14 O HETATM 1237 O HOH 2 79.537 -8.666 -23.611 1.00 92.72 O HETATM 1238 O HOH 3 72.894 -11.280 -22.506 1.00 82.43 O HETATM 1239 O HOH 4 54.649 -22.330 -9.287 1.00 77.75 O HETATM 1240 O HOH 5 81.493 6.139 -15.821 1.00 81.68 O HETATM 1241 O HOH 6 90.723 0.000 0.000 1.00128.57 O HETATM 1242 N LEU A 7 86.620 -9.625 1.754 1.00 0.24 N HETATM 1243 CA LEU A 7 87.817 -9.884 0.899 1.00 0.07 C HETATM 1244 C LEU A 7 87.710 -9.087 -0.434 1.00 0.23 C HETATM 1245 O LEU A 7 87.512 -9.695 -1.482 1.00 -0.39 O HETATM 1246 N LEU A 7 87.850 -7.724 -0.386 1.00 -0.25 N HETATM 1247 CA LEU A 7 87.495 -6.653 -1.378 1.00 0.13 C HETATM 1248 C LEU A 7 87.445 -6.865 -2.917 1.00 0.20 C HETATM 1249 O LEU A 7 87.884 -7.875 -3.458 1.00 -0.39 O HETATM 1250 N LEU A 7 86.930 -5.836 -3.588 1.00 -0.26 N HETATM 1251 CA LEU A 7 86.408 -5.910 -4.954 1.00 0.16 C HETATM 1252 CB LEU A 7 84.900 -5.530 -4.847 1.00 0.13 C HETATM 1253 CG2 LEU A 7 84.187 -5.536 -6.202 1.00 -0.03 C HETATM 1254 H24 LEU A 7 83.131 -5.261 -6.062 1.00 0.03 H HETATM 1255 H25 LEU A 7 84.249 -6.541 -6.644 1.00 0.03 H HETATM 1256 H26 LEU A 7 84.669 -4.810 -6.873 1.00 0.03 H HETATM 1257 OG1 LEU A 7 84.119 -6.364 -3.933 1.00 -0.27 O HETATM 1258 P LEU A 7 83.062 -5.501 -2.999 1.00 0.20 P HETATM 1259 O1P LEU A 7 82.512 -4.318 -3.808 1.00 -0.55 O HETATM 1260 O2P LEU A 7 83.858 -5.013 -1.813 1.00 -0.55 O HETATM 1261 O3P LEU A 7 82.007 -6.422 -2.395 1.00 -0.55 O HETATM 1262 H23 LEU A 7 84.869 -4.502 -4.458 1.00 0.07 H HETATM 1263 C LEU A 7 87.173 -4.920 -5.838 1.00 0.21 C HETATM 1264 O LEU A 7 87.121 -3.718 -5.612 1.00 -0.39 O HETATM 1265 N LEU A 7 87.903 -5.404 -6.851 1.00 -0.25 N HETATM 1266 CA LEU A 7 88.569 -4.497 -7.819 1.00 0.13 C HETATM 1267 C LEU A 7 87.626 -3.665 -8.735 1.00 0.21 C HETATM 1268 O LEU A 7 86.711 -4.237 -9.303 1.00 -0.39 O HETATM 1269 N LEU A 7 87.840 -2.330 -8.870 1.00 -0.25 N HETATM 1270 CA LEU A 7 87.145 -1.406 -9.828 1.00 0.13 C HETATM 1271 C LEU A 7 87.224 -1.664 -11.358 1.00 0.20 C HETATM 1272 O LEU A 7 87.687 -2.727 -11.768 1.00 -0.39 O HETATM 1273 N LEU A 7 86.734 -0.703 -12.167 1.00 -0.27 N HETATM 1274 CA LEU A 7 86.846 -0.743 -13.638 1.00 0.09 C HETATM 1275 C LEU A 7 88.316 -0.771 -14.046 1.00 0.06 C HETATM 1276 O LEU A 7 88.678 -1.337 -15.075 1.00 -0.57 O HETATM 1277 OXT LEU A 7 89.176 -0.228 -13.356 1.00 -0.57 O HETATM 1278 CB LEU A 7 86.132 0.459 -14.316 1.00 -0.02 C HETATM 1279 CG LEU A 7 86.615 1.945 -14.307 1.00 -0.04 C HETATM 1280 CD1 LEU A 7 87.985 2.214 -14.955 1.00 -0.06 C HETATM 1281 H46 LEU A 7 88.217 3.287 -14.889 1.00 0.02 H HETATM 1282 H47 LEU A 7 87.957 1.909 -16.011 1.00 0.02 H HETATM 1283 H48 LEU A 7 88.760 1.638 -14.427 1.00 0.02 H HETATM 1284 CD2 LEU A 7 85.546 2.832 -14.963 1.00 -0.06 C HETATM 1285 H49 LEU A 7 84.570 2.635 -14.496 1.00 0.02 H HETATM 1286 H50 LEU A 7 85.491 2.605 -16.038 1.00 0.02 H HETATM 1287 H51 LEU A 7 85.812 3.890 -14.825 1.00 0.02 H HETATM 1288 H45 LEU A 7 86.702 2.243 -13.252 1.00 0.03 H HETATM 1289 H43 LEU A 7 85.125 0.482 -13.874 1.00 0.03 H HETATM 1290 H44 LEU A 7 86.059 0.187 -15.379 1.00 0.03 H HETATM 1291 H42 LEU A 7 86.367 -1.668 -13.992 1.00 0.07 H HETATM 1292 H41 LEU A 7 86.270 0.078 -11.748 1.00 0.19 H HETATM 1293 CB LEU A 7 87.772 -0.044 -9.495 1.00 -0.01 C HETATM 1294 CG LEU A 7 87.984 -0.122 -8.026 1.00 -0.03 C HETATM 1295 CD LEU A 7 88.372 -1.559 -7.727 1.00 0.04 C HETATM 1296 H39 LEU A 7 89.465 -1.662 -7.664 1.00 0.05 H HETATM 1297 H40 LEU A 7 87.917 -1.897 -6.784 1.00 0.05 H HETATM 1298 H37 LEU A 7 87.058 0.141 -7.493 1.00 0.03 H HETATM 1299 H38 LEU A 7 88.790 0.561 -7.721 1.00 0.03 H HETATM 1300 H35 LEU A 7 87.089 0.779 -9.752 1.00 0.03 H HETATM 1301 H36 LEU A 7 88.726 0.092 -10.025 1.00 0.03 H HETATM 1302 H34 LEU A 7 86.076 -1.399 -9.570 1.00 0.08 H HETATM 1303 CB LEU A 7 89.394 -5.459 -8.692 1.00 -0.01 C HETATM 1304 CG LEU A 7 89.538 -6.724 -7.903 1.00 -0.03 C HETATM 1305 CD LEU A 7 88.374 -6.801 -6.963 1.00 0.04 C HETATM 1306 H32 LEU A 7 87.584 -7.447 -7.373 1.00 0.05 H HETATM 1307 H33 LEU A 7 88.690 -7.186 -5.982 1.00 0.05 H HETATM 1308 H30 LEU A 7 90.480 -6.707 -7.335 1.00 0.03 H HETATM 1309 H31 LEU A 7 89.533 -7.591 -8.579 1.00 0.03 H HETATM 1310 H28 LEU A 7 90.383 -5.028 -8.904 1.00 0.03 H HETATM 1311 H29 LEU A 7 88.871 -5.658 -9.639 1.00 0.03 H HETATM 1312 H27 LEU A 7 89.225 -3.801 -7.276 1.00 0.08 H HETATM 1313 H22 LEU A 7 86.517 -6.927 -5.359 1.00 0.08 H HETATM 1314 H21 LEU A 7 86.898 -4.950 -3.126 1.00 0.19 H HETATM 1315 CB LEU A 7 88.508 -5.555 -1.047 1.00 -0.01 C HETATM 1316 CG LEU A 7 88.584 -5.627 0.440 1.00 -0.03 C HETATM 1317 CD LEU A 7 88.474 -7.095 0.804 1.00 0.04 C HETATM 1318 H19 LEU A 7 89.469 -7.524 0.995 1.00 0.05 H HETATM 1319 H20 LEU A 7 87.840 -7.229 1.693 1.00 0.05 H HETATM 1320 H17 LEU A 7 87.756 -5.060 0.891 1.00 0.03 H HETATM 1321 H18 LEU A 7 89.543 -5.219 0.792 1.00 0.03 H HETATM 1322 H15 LEU A 7 88.150 -4.570 -1.380 1.00 0.03 H HETATM 1323 H16 LEU A 7 89.486 -5.764 -1.506 1.00 0.03 H HETATM 1324 H14 LEU A 7 86.486 -6.309 -1.108 1.00 0.08 H HETATM 1325 CB LEU A 7 87.952 -11.401 0.655 1.00 0.01 C HETATM 1326 CG LEU A 7 87.698 -12.387 1.822 1.00 -0.04 C HETATM 1327 CD1 LEU A 7 87.979 -13.793 1.297 1.00 -0.06 C HETATM 1328 H8 LEU A 7 87.809 -14.525 2.100 1.00 0.02 H HETATM 1329 H9 LEU A 7 89.024 -13.856 0.959 1.00 0.02 H HETATM 1330 H10 LEU A 7 87.307 -14.011 0.454 1.00 0.02 H HETATM 1331 CD2 LEU A 7 88.492 -12.114 3.114 1.00 -0.06 C HETATM 1332 H11 LEU A 7 88.273 -11.097 3.471 1.00 0.02 H HETATM 1333 H12 LEU A 7 89.569 -12.206 2.909 1.00 0.02 H HETATM 1334 H13 LEU A 7 88.201 -12.844 3.884 1.00 0.02 H HETATM 1335 H7 LEU A 7 86.632 -12.320 2.085 1.00 0.03 H HETATM 1336 H5 LEU A 7 88.979 -11.578 0.304 1.00 0.03 H HETATM 1337 H6 LEU A 7 87.242 -11.661 -0.144 1.00 0.03 H HETATM 1338 H4 LEU A 7 88.714 -9.538 1.434 1.00 0.11 H HETATM 1339 H1 LEU A 7 86.701 -10.146 2.613 1.00 0.20 H HETATM 1340 H2 LEU A 7 85.788 -9.914 1.264 1.00 0.20 H HETATM 1341 H3 LEU A 7 86.563 -8.640 1.963 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1242 1243 1339 1340 1341 CONECT 1243 1242 1244 1325 1338 CONECT 1244 1243 1245 1246 CONECT 1245 1244 CONECT 1246 1244 1247 1317 CONECT 1247 1246 1248 1315 1324 CONECT 1248 1247 1249 1250 CONECT 1249 1248 CONECT 1250 1248 1251 1314 CONECT 1251 1250 1252 1263 1313 CONECT 1252 1251 1253 1257 1262 CONECT 1253 1252 1254 1255 1256 CONECT 1254 1253 CONECT 1255 1253 CONECT 1256 1253 CONECT 1257 1252 1258 CONECT 1258 1257 1259 1260 1261 CONECT 1259 1258 CONECT 1260 1258 CONECT 1261 1258 CONECT 1262 1252 CONECT 1263 1251 1264 1265 CONECT 1264 1263 CONECT 1265 1263 1266 1305 CONECT 1266 1265 1267 1303 1312 CONECT 1267 1266 1268 1269 CONECT 1268 1267 CONECT 1269 1267 1270 1295 CONECT 1270 1269 1271 1293 1302 CONECT 1271 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 1274 1292 CONECT 1274 1273 1275 1278 1291 CONECT 1275 1274 1276 1277 CONECT 1276 1275 CONECT 1277 1275 CONECT 1278 1274 1279 1289 1290 CONECT 1279 1278 1280 1284 1288 CONECT 1280 1279 1281 1282 1283 CONECT 1281 1280 CONECT 1282 1280 CONECT 1283 1280 CONECT 1284 1279 1285 1286 1287 CONECT 1285 1284 CONECT 1286 1284 CONECT 1287 1284 CONECT 1288 1279 CONECT 1289 1278 CONECT 1290 1278 CONECT 1291 1274 CONECT 1292 1273 CONECT 1293 1270 1294 1300 1301 CONECT 1294 1293 1295 1298 1299 CONECT 1295 1269 1294 1296 1297 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1294 CONECT 1299 1294 CONECT 1300 1293 CONECT 1301 1293 CONECT 1302 1270 CONECT 1303 1266 1304 1310 1311 CONECT 1304 1303 1305 1308 1309 CONECT 1305 1265 1304 1306 1307 CONECT 1306 1305 CONECT 1307 1305 CONECT 1308 1304 CONECT 1309 1304 CONECT 1310 1303 CONECT 1311 1303 CONECT 1312 1266 CONECT 1313 1251 CONECT 1314 1250 CONECT 1315 1247 1316 1322 1323 CONECT 1316 1315 1317 1320 1321 CONECT 1317 1246 1316 1318 1319 CONECT 1318 1317 CONECT 1319 1317 CONECT 1320 1316 CONECT 1321 1316 CONECT 1322 1315 CONECT 1323 1315 CONECT 1324 1247 CONECT 1325 1243 1326 1336 1337 CONECT 1326 1325 1327 1331 1335 CONECT 1327 1326 1328 1329 1330 CONECT 1328 1327 CONECT 1329 1327 CONECT 1330 1327 CONECT 1331 1326 1332 1333 1334 CONECT 1332 1331 CONECT 1333 1331 CONECT 1334 1331 CONECT 1335 1326 CONECT 1336 1325 CONECT 1337 1325 CONECT 1338 1243 CONECT 1339 1242 CONECT 1340 1242 CONECT 1341 1242 MASTER 0 0 0 0 0 0 0 0 1340 1 104 10 END
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9-mer
1oxq
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PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
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1prl
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RCSB PDB
PDBbind
9-mer
1rlq
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PDBbind
9-mer
1rst
RCSB PDB
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9-mer
1utc
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9-mer
1vwf
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PDBbind
9-mer
1vwl
RCSB PDB
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9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
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PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
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PDBbind
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2jup
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PDBbind
9-mer
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RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
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RCSB PDB
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2mpa
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
9-mer
2rm0
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PDBbind
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2v83
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PDBbind
9-mer
2v86
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2vpe
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PDBbind
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RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
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2x4r
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PDBbind
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2x4s
RCSB PDB
PDBbind
9-mer
2x4t
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2x4u
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2xhs
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PDBbind
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RCSB PDB
PDBbind
9-mer
3ah8
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PDBbind
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3bze
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PDBbind
9-mer
3bzf
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PDBbind
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3bzi
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PDBbind
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3cyy
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PDBbind
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3fbr
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3fn0
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PDBbind
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3ft2
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3ft3
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3ft4
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RCSB PDB
PDBbind
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3iet
RCSB PDB
PDBbind
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3k27
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PDBbind
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3lqi
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PDBbind
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3lqj
RCSB PDB
PDBbind
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3mxc
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PDBbind
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3mxy
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PDBbind
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3o4l
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3o6m
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PDBbind
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3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
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PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
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3r0h
RCSB PDB
PDBbind
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3r42
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PDBbind
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3rwc
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PDBbind
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3rwe
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PDBbind
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3rwf
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PDBbind
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3rwg
RCSB PDB
PDBbind
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3soq
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PDBbind
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3sou
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PDBbind
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3sov
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PDBbind
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3sow
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PDBbind
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3t5i
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3tjh
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3zhf
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4bt9
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PDBbind
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4btb
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4cdr
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4ezq
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PDBbind
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4ezt
RCSB PDB
PDBbind
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4fcm
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PDBbind
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4fmn
RCSB PDB
PDBbind
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4i80
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PDBbind
9-mer
4iho
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PDBbind
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4j3u
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PDBbind
9-mer
4mex
RCSB PDB
PDBbind
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PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
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4mzh
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PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
6c4u
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Forkhead-associated 1
Ligand Name
9-mer
EC.Number
E.C.2.7.12.1
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=798nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) N Biotechnol Vol. 45: pp. 36-44
Ligand Properties
Formula
C
3
1
H
5
5
N
6
O
1
1
P
Molecular Weight
718.776
Exact Mass
718.367
No. of atoms
104
No. of bonds
106
Polar Surface Area
267.58
LOGP Value
-1.70 (
Computed with XLOGP3
)
-0.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 18
No. of Nitrogen and Oxygen Atoms: 17
No. of Rings: 3
Canonical SMILES
CC(C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](OP(O)(O)O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)[NH3+])C
InChI String
InChI=1S/C31H55N6O11P/c1-17(2)15-20(32)28(40)35-12-6-10-23(35)27(39)34-25(19(5)48-49(45,46)47)30(42)37-14-8-11-24(37)29(41)36-13-7-9-22(36)26(38)33-21(31(43)44)16-18(3)4/h17-25,45-47,49H,6-16,32H2,1-5H3,(H,33,38)(H,34,39)(H,43,44)/p+1/t19-,20+,21+,22+,23+,24+,25+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P22216
P01106
Entrez Gene ID
NCBI Entrez Gene ID:
855950
4609
ASD
Information of known allosteric effects of PDB entries
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