Browse entries in the PDBbind-CN Database
HEADER 1N5Z_COMPLEX COMPND 1N5Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 71 GLU PRO ILE ASP PRO SER LYS LEU GLU PHE ALA ARG ALA SEQRES 2 A 71 LEU TYR ASP PHE VAL PRO GLU ASN PRO GLU MET GLU VAL SEQRES 3 A 71 ALA LEU LYS LYS GLY ASP LEU MET ALA ILE LEU SER LYS SEQRES 4 A 71 LYS ASP PRO LEU GLY ARG ASP SER ASP TRP TRP LYS VAL SEQRES 5 A 71 ARG THR LYS ASN GLY ASN ILE GLY TYR ILE PRO TYR ASN SEQRES 6 A 71 TYR ILE GLU ILE ILE LYS HET MET A 83 173 ATOM 1 N GLU A 7 -9.882 23.440 3.752 1.00 56.59 N ATOM 2 CA GLU A 7 -8.498 23.783 3.453 1.00 57.19 C ATOM 3 C GLU A 7 -7.687 22.540 3.103 1.00 55.81 C ATOM 4 O GLU A 7 -7.413 21.669 3.963 1.00 53.05 O ATOM 5 CB GLU A 7 -7.864 24.524 4.631 1.00 55.26 C ATOM 6 CG GLU A 7 -8.558 25.826 4.990 1.00 20.00 C ATOM 7 CD GLU A 7 -7.911 26.527 6.168 1.00 20.00 C ATOM 8 OE1 GLU A 7 -6.912 25.996 6.699 1.00 20.00 O ATOM 9 OE2 GLU A 7 -8.401 27.607 6.561 1.00 20.00 O ATOM 10 HA GLU A 7 -8.494 24.442 2.585 1.00 0.00 H ATOM 11 HB2 GLU A 7 -7.891 23.870 5.502 1.00 0.00 H ATOM 12 HB3 GLU A 7 -6.827 24.747 4.378 1.00 0.00 H ATOM 13 HG2 GLU A 7 -8.523 26.490 4.126 1.00 0.00 H ATOM 14 HG3 GLU A 7 -9.597 25.611 5.239 1.00 0.00 H ATOM 15 HN3 GLU A 7 -9.909 22.786 4.560 1.00 0.00 H ATOM 16 HN2 GLU A 7 -10.312 22.985 2.922 1.00 0.00 H ATOM 17 HN1 GLU A 7 -10.409 24.305 3.986 1.00 0.00 H ATOM 18 N PRO A 8 -7.228 22.433 1.829 1.00 58.73 N ATOM 19 CA PRO A 8 -6.408 21.299 1.320 1.00 58.74 C ATOM 20 C PRO A 8 -5.012 21.029 1.950 1.00 56.66 C ATOM 21 O PRO A 8 -4.440 21.833 2.724 1.00 55.74 O ATOM 22 CB PRO A 8 -6.207 21.650 -0.175 1.00 63.92 C ATOM 23 CG PRO A 8 -7.350 22.557 -0.496 1.00 66.10 C ATOM 24 CD PRO A 8 -7.571 23.388 0.761 1.00 63.09 C ATOM 25 HA PRO A 8 -6.944 20.382 1.566 1.00 0.00 H ATOM 26 HD3 PRO A 8 -6.914 24.257 0.781 1.00 0.00 H ATOM 27 HD2 PRO A 8 -8.607 23.716 0.841 1.00 0.00 H ATOM 28 HG3 PRO A 8 -8.242 21.978 -0.733 1.00 0.00 H ATOM 29 HG2 PRO A 8 -7.102 23.200 -1.340 1.00 0.00 H ATOM 30 HB2 PRO A 8 -5.255 22.158 -0.328 1.00 0.00 H ATOM 31 HB3 PRO A 8 -6.241 20.752 -0.791 1.00 0.00 H ATOM 32 N ILE A 9 -4.468 19.866 1.578 1.00 56.20 N ATOM 33 CA ILE A 9 -3.107 19.470 1.974 1.00 54.61 C ATOM 34 C ILE A 9 -2.588 18.211 1.254 1.00 55.88 C ATOM 35 O ILE A 9 -3.372 17.380 0.764 1.00 55.88 O ATOM 36 CB ILE A 9 -3.028 19.238 3.454 1.00 49.69 C ATOM 37 CG1 ILE A 9 -1.570 18.975 3.852 1.00 50.71 C ATOM 38 CG2 ILE A 9 -3.881 18.022 3.804 1.00 47.80 C ATOM 39 CD1 ILE A 9 -0.541 20.116 3.513 1.00 51.43 C ATOM 40 HA ILE A 9 -2.472 20.304 1.677 1.00 0.00 H ATOM 41 HB ILE A 9 -3.393 20.114 3.990 1.00 0.00 H ATOM 42 HG12 ILE A 9 -1.543 18.812 4.929 1.00 0.00 H ATOM 43 HG13 ILE A 9 -1.243 18.070 3.341 1.00 0.00 H ATOM 44 HD11 ILE A 9 -0.533 20.289 2.437 1.00 0.00 H ATOM 45 HD12 ILE A 9 -0.833 21.032 4.027 1.00 0.00 H ATOM 46 HD13 ILE A 9 0.454 19.815 3.841 1.00 0.00 H ATOM 47 HG21 ILE A 9 -4.915 18.209 3.512 1.00 0.00 H ATOM 48 HG22 ILE A 9 -3.504 17.149 3.271 1.00 0.00 H ATOM 49 HG23 ILE A 9 -3.832 17.842 4.878 1.00 0.00 H ATOM 50 H ILE A 9 -5.027 19.218 0.987 1.00 0.00 H ATOM 51 N ASP A 10 -1.261 18.081 1.187 1.00 56.67 N ATOM 52 CA ASP A 10 -0.658 16.897 0.569 1.00 58.58 C ATOM 53 C ASP A 10 -0.819 15.701 1.513 1.00 54.42 C ATOM 54 O ASP A 10 -0.263 15.659 2.625 1.00 51.58 O ATOM 55 CB ASP A 10 0.822 17.097 0.186 1.00 62.18 C ATOM 56 CG ASP A 10 1.685 17.399 1.387 1.00 60.79 C ATOM 57 OD1 ASP A 10 2.150 16.446 2.042 1.00 60.21 O ATOM 58 OD2 ASP A 10 1.922 18.556 1.784 1.00 62.07 O ATOM 59 HA ASP A 10 -1.184 16.711 -0.367 1.00 0.00 H ATOM 60 HB2 ASP A 10 1.188 16.187 -0.290 1.00 0.00 H ATOM 61 HB3 ASP A 10 0.894 17.927 -0.516 1.00 0.00 H ATOM 62 H ASP A 10 -0.650 18.827 1.577 1.00 0.00 H ATOM 63 N PRO A 11 -1.593 14.730 1.053 1.00 54.02 N ATOM 64 CA PRO A 11 -1.854 13.525 1.816 1.00 50.89 C ATOM 65 C PRO A 11 -0.565 12.935 2.354 1.00 50.84 C ATOM 66 O PRO A 11 -0.579 12.079 3.238 1.00 48.39 O ATOM 67 CB PRO A 11 -2.427 12.593 0.752 1.00 54.38 C ATOM 68 CG PRO A 11 -3.152 13.491 -0.133 1.00 56.59 C ATOM 69 CD PRO A 11 -2.261 14.701 -0.258 1.00 57.75 C ATOM 70 HA PRO A 11 -2.502 13.692 2.676 1.00 0.00 H ATOM 71 HD3 PRO A 11 -1.540 14.580 -1.067 1.00 0.00 H ATOM 72 HD2 PRO A 11 -2.844 15.607 -0.425 1.00 0.00 H ATOM 73 HG3 PRO A 11 -4.115 13.764 0.299 1.00 0.00 H ATOM 74 HG2 PRO A 11 -3.311 13.027 -1.107 1.00 0.00 H ATOM 75 HB2 PRO A 11 -1.630 12.077 0.216 1.00 0.00 H ATOM 76 HB3 PRO A 11 -3.098 11.859 1.198 1.00 0.00 H ATOM 77 N SER A 12 0.561 13.410 1.855 1.00 53.27 N ATOM 78 CA SER A 12 1.746 12.633 2.087 1.00 54.31 C ATOM 79 C SER A 12 2.476 13.018 3.337 1.00 51.86 C ATOM 80 O SER A 12 3.253 12.247 3.876 1.00 52.68 O ATOM 81 CB SER A 12 2.621 12.640 0.865 1.00 59.54 C ATOM 82 OG SER A 12 3.330 11.428 0.859 1.00 62.57 O ATOM 83 HA SER A 12 1.433 11.604 2.267 1.00 0.00 H ATOM 84 HB2 SER A 12 3.315 13.480 0.906 1.00 0.00 H ATOM 85 HB3 SER A 12 2.009 12.720 -0.033 1.00 0.00 H ATOM 86 HG SER A 12 3.878 11.363 1.681 1.00 0.00 H ATOM 87 H SER A 12 0.588 14.302 1.321 1.00 0.00 H ATOM 88 N LYS A 13 2.149 14.206 3.809 1.00 49.33 N ATOM 89 CA LYS A 13 2.615 14.765 5.066 1.00 46.61 C ATOM 90 C LYS A 13 1.532 14.673 6.132 1.00 40.60 C ATOM 91 O LYS A 13 1.497 15.373 7.142 1.00 36.97 O ATOM 92 CB LYS A 13 3.072 16.208 4.864 1.00 48.46 C ATOM 93 CG LYS A 13 4.226 16.355 3.884 1.00 20.00 C ATOM 94 CD LYS A 13 4.784 17.767 3.894 1.00 20.00 C ATOM 95 CE LYS A 13 5.932 17.912 2.907 1.00 20.00 C ATOM 96 NZ LYS A 13 6.494 19.290 2.908 1.00 20.00 N ATOM 97 HA LYS A 13 3.469 14.183 5.413 1.00 0.00 H ATOM 98 HB2 LYS A 13 2.228 16.787 4.490 1.00 0.00 H ATOM 99 HB3 LYS A 13 3.387 16.607 5.828 1.00 0.00 H ATOM 100 HG2 LYS A 13 5.018 15.658 4.160 1.00 0.00 H ATOM 101 HG3 LYS A 13 3.872 16.120 2.880 1.00 0.00 H ATOM 102 HD2 LYS A 13 3.992 18.465 3.623 1.00 0.00 H ATOM 103 HD3 LYS A 13 5.145 18.000 4.896 1.00 0.00 H ATOM 104 HE2 LYS A 13 5.568 17.680 1.906 1.00 0.00 H ATOM 105 HE3 LYS A 13 6.720 17.209 3.177 1.00 0.00 H ATOM 106 HZ1 LYS A 13 5.750 19.967 2.644 1.00 0.00 H ATOM 107 HZ2 LYS A 13 6.850 19.517 3.858 1.00 0.00 H ATOM 108 HZ3 LYS A 13 7.274 19.346 2.222 1.00 0.00 H ATOM 109 H LYS A 13 1.506 14.789 3.235 1.00 0.00 H ATOM 110 N LEU A 14 0.595 13.767 5.860 1.00 38.74 N ATOM 111 CA LEU A 14 -0.503 13.576 6.778 1.00 34.60 C ATOM 112 C LEU A 14 -0.054 13.020 8.136 1.00 32.55 C ATOM 113 O LEU A 14 0.768 12.120 8.177 1.00 35.31 O ATOM 114 CB LEU A 14 -1.459 12.615 6.143 1.00 34.86 C ATOM 115 CG LEU A 14 -2.728 12.277 6.911 1.00 34.39 C ATOM 116 CD1 LEU A 14 -3.621 13.477 7.024 1.00 34.28 C ATOM 117 CD2 LEU A 14 -3.485 11.143 6.187 1.00 40.28 C ATOM 118 HA LEU A 14 -0.963 14.545 6.972 1.00 0.00 H ATOM 119 HB2 LEU A 14 -1.760 13.038 5.185 1.00 0.00 H ATOM 120 HB3 LEU A 14 -0.921 11.682 5.974 1.00 0.00 H ATOM 121 HG LEU A 14 -2.447 11.956 7.914 1.00 0.00 H ATOM 122 HD21 LEU A 14 -3.746 11.468 5.180 1.00 0.00 H ATOM 123 HD22 LEU A 14 -2.848 10.260 6.132 1.00 0.00 H ATOM 124 HD23 LEU A 14 -4.393 10.904 6.740 1.00 0.00 H ATOM 125 HD11 LEU A 14 -3.094 14.273 7.550 1.00 0.00 H ATOM 126 HD12 LEU A 14 -3.895 13.819 6.026 1.00 0.00 H ATOM 127 HD13 LEU A 14 -4.521 13.208 7.577 1.00 0.00 H ATOM 128 H LEU A 14 0.654 13.200 4.990 1.00 0.00 H ATOM 129 N GLU A 15 -0.593 13.534 9.241 1.00 28.59 N ATOM 130 CA GLU A 15 -0.258 13.016 10.574 1.00 26.83 C ATOM 131 C GLU A 15 -1.342 12.080 11.104 1.00 24.39 C ATOM 132 O GLU A 15 -2.567 12.306 10.941 1.00 22.24 O ATOM 133 CB GLU A 15 -0.088 14.136 11.628 1.00 25.47 C ATOM 134 CG GLU A 15 1.130 15.062 11.545 1.00 29.23 C ATOM 135 CD GLU A 15 0.944 16.320 12.411 1.00 31.53 C ATOM 136 OE1 GLU A 15 -0.174 16.940 12.371 1.00 30.46 O ATOM 137 OE2 GLU A 15 1.898 16.692 13.133 1.00 32.21 O ATOM 138 HA GLU A 15 0.685 12.488 10.436 1.00 0.00 H ATOM 139 HB2 GLU A 15 -0.974 14.768 11.567 1.00 0.00 H ATOM 140 HB3 GLU A 15 -0.055 13.653 12.604 1.00 0.00 H ATOM 141 HG2 GLU A 15 2.011 14.521 11.891 1.00 0.00 H ATOM 142 HG3 GLU A 15 1.275 15.364 10.508 1.00 0.00 H ATOM 143 H GLU A 15 -1.267 14.321 9.158 1.00 0.00 H ATOM 144 N PHE A 16 -0.884 11.065 11.809 1.00 24.23 N ATOM 145 CA PHE A 16 -1.803 10.155 12.441 1.00 23.05 C ATOM 146 C PHE A 16 -1.758 10.306 13.953 1.00 21.91 C ATOM 147 O PHE A 16 -0.769 10.797 14.508 1.00 22.13 O ATOM 148 CB PHE A 16 -1.490 8.731 12.039 1.00 25.14 C ATOM 149 CG PHE A 16 -1.793 8.445 10.626 1.00 26.42 C ATOM 150 CD1 PHE A 16 -0.979 8.906 9.615 1.00 27.38 C ATOM 151 CD2 PHE A 16 -2.890 7.701 10.305 1.00 29.56 C ATOM 152 CE1 PHE A 16 -1.243 8.628 8.336 1.00 29.74 C ATOM 153 CE2 PHE A 16 -3.163 7.404 9.005 1.00 33.72 C ATOM 154 CZ PHE A 16 -2.334 7.884 8.012 1.00 33.86 C ATOM 155 HA PHE A 16 -2.812 10.397 12.107 1.00 0.00 H ATOM 156 HB2 PHE A 16 -0.429 8.548 12.210 1.00 0.00 H ATOM 157 HB3 PHE A 16 -2.078 8.058 12.663 1.00 0.00 H ATOM 158 HD2 PHE A 16 -3.552 7.342 11.094 1.00 0.00 H ATOM 159 HE2 PHE A 16 -4.029 6.792 8.751 1.00 0.00 H ATOM 160 HZ PHE A 16 -2.554 7.667 6.967 1.00 0.00 H ATOM 161 HE1 PHE A 16 -0.583 8.998 7.551 1.00 0.00 H ATOM 162 HD1 PHE A 16 -0.105 9.508 9.863 1.00 0.00 H ATOM 163 H PHE A 16 0.141 10.922 11.909 1.00 0.00 H ATOM 164 N ALA A 17 -2.826 9.875 14.617 1.00 20.50 N ATOM 165 CA ALA A 17 -2.844 9.974 16.070 1.00 21.33 C ATOM 166 C ALA A 17 -3.500 8.789 16.741 1.00 22.10 C ATOM 167 O ALA A 17 -4.151 7.990 16.107 1.00 22.75 O ATOM 168 CB ALA A 17 -3.479 11.290 16.557 1.00 18.26 C ATOM 169 HA ALA A 17 -1.796 9.971 16.369 1.00 0.00 H ATOM 170 HB1 ALA A 17 -2.909 12.133 16.167 1.00 0.00 H ATOM 171 HB2 ALA A 17 -4.507 11.349 16.201 1.00 0.00 H ATOM 172 HB3 ALA A 17 -3.469 11.316 17.647 1.00 0.00 H ATOM 173 H ALA A 17 -3.638 9.473 14.106 1.00 0.00 H ATOM 174 N ARG A 18 -3.324 8.708 18.047 1.00 22.72 N ATOM 175 CA ARG A 18 -3.835 7.605 18.811 1.00 24.06 C ATOM 176 C ARG A 18 -4.536 8.217 19.976 1.00 22.87 C ATOM 177 O ARG A 18 -4.065 9.226 20.537 1.00 22.86 O ATOM 178 CB ARG A 18 -2.685 6.784 19.320 1.00 27.00 C ATOM 179 CG ARG A 18 -3.016 5.484 20.024 1.00 30.17 C ATOM 180 CD ARG A 18 -1.772 4.560 20.185 1.00 34.67 C ATOM 181 NE ARG A 18 -2.108 3.445 21.055 1.00 42.66 N ATOM 182 CZ ARG A 18 -1.239 2.489 21.503 1.00 51.99 C ATOM 183 NH1 ARG A 18 0.059 2.511 21.176 1.00 55.19 N ATOM 184 NH2 ARG A 18 -1.662 1.496 22.302 1.00 52.13 N ATOM 185 HA ARG A 18 -4.492 6.968 18.218 1.00 0.00 H ATOM 186 HB2 ARG A 18 -2.052 6.542 18.466 1.00 0.00 H ATOM 187 HB3 ARG A 18 -2.126 7.403 20.021 1.00 0.00 H ATOM 188 HG2 ARG A 18 -3.412 5.713 21.013 1.00 0.00 H ATOM 189 HG3 ARG A 18 -3.772 4.955 19.444 1.00 0.00 H ATOM 190 HD2 ARG A 18 -0.951 5.128 20.622 1.00 0.00 H ATOM 191 HD3 ARG A 18 -1.471 4.182 19.208 1.00 0.00 H ATOM 192 HE ARG A 18 -3.098 3.367 21.364 1.00 0.00 H ATOM 193 HH12 ARG A 18 0.697 1.771 21.531 1.00 0.00 H ATOM 194 HH11 ARG A 18 0.429 3.268 20.567 1.00 0.00 H ATOM 195 HH22 ARG A 18 -0.991 0.775 22.636 1.00 0.00 H ATOM 196 HH21 ARG A 18 -2.661 1.448 22.587 1.00 0.00 H ATOM 197 H ARG A 18 -2.801 9.463 18.535 1.00 0.00 H ATOM 198 N ALA A 19 -5.681 7.631 20.322 1.00 22.25 N ATOM 199 CA ALA A 19 -6.433 8.090 21.478 1.00 20.86 C ATOM 200 C ALA A 19 -5.738 7.680 22.777 1.00 22.33 C ATOM 201 O ALA A 19 -5.475 6.504 22.984 1.00 23.58 O ATOM 202 CB ALA A 19 -7.757 7.476 21.457 1.00 21.74 C ATOM 203 HA ALA A 19 -6.503 9.177 21.435 1.00 0.00 H ATOM 204 HB1 ALA A 19 -8.275 7.764 20.542 1.00 0.00 H ATOM 205 HB2 ALA A 19 -7.654 6.391 21.492 1.00 0.00 H ATOM 206 HB3 ALA A 19 -8.327 7.816 22.322 1.00 0.00 H ATOM 207 H ALA A 19 -6.041 6.835 19.758 1.00 0.00 H ATOM 208 N LEU A 20 -5.483 8.649 23.656 1.00 20.94 N ATOM 209 CA LEU A 20 -4.893 8.332 24.949 1.00 22.80 C ATOM 210 C LEU A 20 -5.941 7.942 25.955 1.00 23.18 C ATOM 211 O LEU A 20 -5.641 7.220 26.894 1.00 26.08 O ATOM 212 CB LEU A 20 -4.121 9.502 25.509 1.00 23.10 C ATOM 213 CG LEU A 20 -2.870 9.980 24.795 1.00 22.77 C ATOM 214 CD1 LEU A 20 -2.337 11.154 25.545 1.00 22.18 C ATOM 215 CD2 LEU A 20 -1.818 8.819 24.749 1.00 23.10 C ATOM 216 HA LEU A 20 -4.218 7.494 24.775 1.00 0.00 H ATOM 217 HB2 LEU A 20 -4.808 10.347 25.546 1.00 0.00 H ATOM 218 HB3 LEU A 20 -3.825 9.231 26.522 1.00 0.00 H ATOM 219 HG LEU A 20 -3.092 10.272 23.769 1.00 0.00 H ATOM 220 HD21 LEU A 20 -1.564 8.520 25.766 1.00 0.00 H ATOM 221 HD22 LEU A 20 -2.240 7.969 24.213 1.00 0.00 H ATOM 222 HD23 LEU A 20 -0.920 9.164 24.236 1.00 0.00 H ATOM 223 HD11 LEU A 20 -3.088 11.944 25.563 1.00 0.00 H ATOM 224 HD12 LEU A 20 -2.099 10.854 26.566 1.00 0.00 H ATOM 225 HD13 LEU A 20 -1.436 11.519 25.053 1.00 0.00 H ATOM 226 H LEU A 20 -5.706 9.636 23.417 1.00 0.00 H ATOM 227 N TYR A 21 -7.161 8.431 25.754 1.00 20.63 N ATOM 228 CA TYR A 21 -8.289 8.133 26.623 1.00 21.51 C ATOM 229 C TYR A 21 -9.607 8.027 25.870 1.00 19.60 C ATOM 230 O TYR A 21 -9.678 8.402 24.746 1.00 17.24 O ATOM 231 CB TYR A 21 -8.443 9.220 27.663 1.00 21.29 C ATOM 232 CG TYR A 21 -7.150 9.733 28.137 1.00 25.48 C ATOM 233 CD1 TYR A 21 -6.530 10.791 27.480 1.00 25.97 C ATOM 234 CD2 TYR A 21 -6.520 9.174 29.246 1.00 30.20 C ATOM 235 CE1 TYR A 21 -5.298 11.277 27.915 1.00 29.58 C ATOM 236 CE2 TYR A 21 -5.284 9.654 29.681 1.00 32.87 C ATOM 237 CZ TYR A 21 -4.674 10.700 29.018 1.00 30.98 C ATOM 238 OH TYR A 21 -3.449 11.181 29.454 1.00 34.23 O ATOM 239 HA TYR A 21 -8.071 7.168 27.080 1.00 0.00 H ATOM 240 HB3 TYR A 21 -8.992 8.815 28.513 1.00 0.00 H ATOM 241 HB2 TYR A 21 -9.008 10.044 27.227 1.00 0.00 H ATOM 242 HD2 TYR A 21 -6.998 8.353 29.780 1.00 0.00 H ATOM 243 HE2 TYR A 21 -4.799 9.202 30.546 1.00 0.00 H ATOM 244 HE1 TYR A 21 -4.824 12.108 27.392 1.00 0.00 H ATOM 245 HD1 TYR A 21 -7.013 11.245 26.615 1.00 0.00 H ATOM 246 HH TYR A 21 -3.161 11.925 28.868 1.00 0.00 H ATOM 247 H TYR A 21 -7.316 9.056 24.937 1.00 0.00 H ATOM 248 N ASP A 22 -10.643 7.492 26.514 1.00 22.00 N ATOM 249 CA ASP A 22 -11.998 7.466 25.973 1.00 21.37 C ATOM 250 C ASP A 22 -12.484 8.903 25.876 1.00 19.85 C ATOM 251 O ASP A 22 -12.066 9.780 26.689 1.00 20.17 O ATOM 252 CB ASP A 22 -12.933 6.726 26.924 1.00 24.56 C ATOM 253 CG ASP A 22 -12.658 5.240 26.997 1.00 25.67 C ATOM 254 OD1 ASP A 22 -12.909 4.684 28.051 1.00 28.67 O ATOM 255 OD2 ASP A 22 -12.220 4.540 26.076 1.00 25.68 O ATOM 256 HA ASP A 22 -11.994 6.968 25.003 1.00 0.00 H ATOM 257 HB2 ASP A 22 -12.818 7.149 27.922 1.00 0.00 H ATOM 258 HB3 ASP A 22 -13.959 6.872 26.585 1.00 0.00 H ATOM 259 H ASP A 22 -10.478 7.071 27.451 1.00 0.00 H ATOM 260 N PHE A 23 -13.327 9.166 24.881 1.00 17.71 N ATOM 261 CA PHE A 23 -13.888 10.484 24.736 1.00 16.18 C ATOM 262 C PHE A 23 -15.320 10.369 24.326 1.00 17.28 C ATOM 263 O PHE A 23 -15.618 9.741 23.345 1.00 17.43 O ATOM 264 CB PHE A 23 -13.093 11.335 23.715 1.00 14.51 C ATOM 265 CG PHE A 23 -13.765 12.631 23.319 1.00 12.13 C ATOM 266 CD1 PHE A 23 -14.111 13.579 24.270 1.00 12.77 C ATOM 267 CD2 PHE A 23 -14.071 12.893 22.007 1.00 11.38 C ATOM 268 CE1 PHE A 23 -14.767 14.771 23.909 1.00 12.61 C ATOM 269 CE2 PHE A 23 -14.742 14.101 21.653 1.00 12.76 C ATOM 270 CZ PHE A 23 -15.080 15.023 22.604 1.00 11.92 C ATOM 271 HA PHE A 23 -13.824 10.995 25.697 1.00 0.00 H ATOM 272 HB2 PHE A 23 -12.124 11.574 24.152 1.00 0.00 H ATOM 273 HB3 PHE A 23 -12.947 10.738 22.815 1.00 0.00 H ATOM 274 HD2 PHE A 23 -13.800 12.175 21.233 1.00 0.00 H ATOM 275 HE2 PHE A 23 -14.989 14.292 20.609 1.00 0.00 H ATOM 276 HZ PHE A 23 -15.591 15.944 22.325 1.00 0.00 H ATOM 277 HE1 PHE A 23 -15.027 15.499 24.678 1.00 0.00 H ATOM 278 HD1 PHE A 23 -13.870 13.398 25.318 1.00 0.00 H ATOM 279 H PHE A 23 -13.582 8.417 24.206 1.00 0.00 H ATOM 280 N VAL A 24 -16.200 11.000 25.083 1.00 18.30 N ATOM 281 CA VAL A 24 -17.599 11.083 24.725 1.00 20.20 C ATOM 282 C VAL A 24 -18.022 12.476 24.187 1.00 19.48 C ATOM 283 O VAL A 24 -17.931 13.473 24.864 1.00 18.35 O ATOM 284 CB VAL A 24 -18.425 10.739 25.915 1.00 22.64 C ATOM 285 CG1 VAL A 24 -19.866 10.796 25.556 1.00 24.89 C ATOM 286 CG2 VAL A 24 -18.041 9.364 26.363 1.00 24.83 C ATOM 287 HA VAL A 24 -17.761 10.376 23.912 1.00 0.00 H ATOM 288 HB VAL A 24 -18.252 11.448 26.725 1.00 0.00 H ATOM 289 HG11 VAL A 24 -20.116 11.802 25.220 1.00 0.00 H ATOM 290 HG12 VAL A 24 -20.068 10.084 24.756 1.00 0.00 H ATOM 291 HG13 VAL A 24 -20.467 10.544 26.430 1.00 0.00 H ATOM 292 HG21 VAL A 24 -18.228 8.655 25.557 1.00 0.00 H ATOM 293 HG22 VAL A 24 -16.982 9.350 26.622 1.00 0.00 H ATOM 294 HG23 VAL A 24 -18.634 9.089 27.235 1.00 0.00 H ATOM 295 H VAL A 24 -15.877 11.451 25.963 1.00 0.00 H ATOM 296 N PRO A 25 -18.490 12.518 22.956 1.00 20.34 N ATOM 297 CA PRO A 25 -18.912 13.775 22.339 1.00 20.87 C ATOM 298 C PRO A 25 -20.017 14.401 23.119 1.00 24.54 C ATOM 299 O PRO A 25 -21.007 13.714 23.357 1.00 27.36 O ATOM 300 CB PRO A 25 -19.458 13.328 20.988 1.00 21.52 C ATOM 301 CG PRO A 25 -18.736 11.988 20.718 1.00 19.61 C ATOM 302 CD PRO A 25 -18.615 11.368 22.045 1.00 20.27 C ATOM 303 HA PRO A 25 -18.104 14.505 22.280 1.00 0.00 H ATOM 304 HD3 PRO A 25 -19.501 10.779 22.281 1.00 0.00 H ATOM 305 HD2 PRO A 25 -17.732 10.731 22.098 1.00 0.00 H ATOM 306 HG3 PRO A 25 -17.753 12.160 20.280 1.00 0.00 H ATOM 307 HG2 PRO A 25 -19.325 11.359 20.050 1.00 0.00 H ATOM 308 HB2 PRO A 25 -20.538 13.184 21.034 1.00 0.00 H ATOM 309 HB3 PRO A 25 -19.223 14.058 20.214 1.00 0.00 H ATOM 310 N GLU A 26 -19.844 15.661 23.499 1.00 25.18 N ATOM 311 CA GLU A 26 -20.856 16.389 24.214 1.00 30.09 C ATOM 312 C GLU A 26 -21.774 16.916 23.135 1.00 32.57 C ATOM 313 O GLU A 26 -22.987 17.127 23.367 1.00 37.33 O ATOM 314 CB GLU A 26 -20.267 17.563 25.006 1.00 30.09 C ATOM 315 CG GLU A 26 -19.051 17.226 25.907 1.00 32.71 C ATOM 316 CD GLU A 26 -19.365 17.169 27.437 1.00 39.89 C ATOM 317 OE1 GLU A 26 -19.957 18.167 27.985 1.00 42.10 O ATOM 318 OE2 GLU A 26 -19.021 16.122 28.101 1.00 38.52 O ATOM 319 HA GLU A 26 -21.360 15.753 24.942 1.00 0.00 H ATOM 320 HB2 GLU A 26 -19.954 18.325 24.292 1.00 0.00 H ATOM 321 HB3 GLU A 26 -21.054 17.966 25.643 1.00 0.00 H ATOM 322 HG2 GLU A 26 -18.663 16.254 25.604 1.00 0.00 H ATOM 323 HG3 GLU A 26 -18.288 17.987 25.745 1.00 0.00 H ATOM 324 H GLU A 26 -18.947 16.137 23.272 1.00 0.00 H ATOM 325 N ASN A 27 -21.196 17.128 21.958 1.00 30.29 N ATOM 326 CA ASN A 27 -21.927 17.622 20.818 1.00 31.68 C ATOM 327 C ASN A 27 -21.647 16.684 19.639 1.00 30.91 C ATOM 328 O ASN A 27 -20.614 16.766 18.962 1.00 27.63 O ATOM 329 CB ASN A 27 -21.422 19.019 20.523 1.00 31.46 C ATOM 330 CG ASN A 27 -22.210 19.727 19.378 1.00 34.54 C ATOM 331 OD1 ASN A 27 -22.571 19.107 18.358 1.00 35.56 O ATOM 332 ND2 ASN A 27 -22.467 21.039 19.559 1.00 33.19 N ATOM 333 HA ASN A 27 -23.001 17.656 21.000 1.00 0.00 H ATOM 334 HB2 ASN A 27 -21.512 19.619 21.429 1.00 0.00 H ATOM 335 HB3 ASN A 27 -20.373 18.955 20.234 1.00 0.00 H ATOM 336 HD22 ASN A 27 -22.147 21.517 20.426 1.00 0.00 H ATOM 337 HD21 ASN A 27 -22.985 21.573 18.832 1.00 0.00 H ATOM 338 H ASN A 27 -20.180 16.931 21.855 1.00 0.00 H ATOM 339 N PRO A 28 -22.544 15.748 19.428 1.00 33.57 N ATOM 340 CA PRO A 28 -22.394 14.744 18.359 1.00 33.86 C ATOM 341 C PRO A 28 -22.398 15.355 16.978 1.00 33.35 C ATOM 342 O PRO A 28 -21.813 14.776 16.076 1.00 32.16 O ATOM 343 CB PRO A 28 -23.618 13.820 18.534 1.00 38.34 C ATOM 344 CG PRO A 28 -24.051 14.073 19.956 1.00 40.34 C ATOM 345 CD PRO A 28 -23.767 15.552 20.213 1.00 38.13 C ATOM 346 HA PRO A 28 -21.439 14.225 18.440 1.00 0.00 H ATOM 347 HD3 PRO A 28 -24.579 16.184 19.852 1.00 0.00 H ATOM 348 HD2 PRO A 28 -23.598 15.749 21.272 1.00 0.00 H ATOM 349 HG3 PRO A 28 -23.480 13.450 20.645 1.00 0.00 H ATOM 350 HG2 PRO A 28 -25.114 13.863 20.074 1.00 0.00 H ATOM 351 HB2 PRO A 28 -24.409 14.084 17.833 1.00 0.00 H ATOM 352 HB3 PRO A 28 -23.341 12.775 18.391 1.00 0.00 H ATOM 353 N GLU A 29 -23.028 16.502 16.828 1.00 34.07 N ATOM 354 CA GLU A 29 -23.006 17.175 15.563 1.00 35.03 C ATOM 355 C GLU A 29 -21.603 17.688 15.175 1.00 30.00 C ATOM 356 O GLU A 29 -21.261 17.723 14.019 1.00 29.90 O ATOM 357 CB GLU A 29 -24.016 18.327 15.567 1.00 39.72 C ATOM 358 CG GLU A 29 -23.603 19.490 14.668 1.00 44.46 C ATOM 359 CD GLU A 29 -24.621 20.616 14.638 1.00 55.21 C ATOM 360 OE1 GLU A 29 -25.680 20.481 15.293 1.00 58.97 O ATOM 361 OE2 GLU A 29 -24.358 21.633 13.942 1.00 59.93 O ATOM 362 HA GLU A 29 -23.286 16.442 14.807 1.00 0.00 H ATOM 363 HB2 GLU A 29 -24.978 17.947 15.223 1.00 0.00 H ATOM 364 HB3 GLU A 29 -24.117 18.696 16.588 1.00 0.00 H ATOM 365 HG2 GLU A 29 -22.656 19.889 15.031 1.00 0.00 H ATOM 366 HG3 GLU A 29 -23.472 19.114 13.653 1.00 0.00 H ATOM 367 H GLU A 29 -23.542 16.920 17.629 1.00 0.00 H ATOM 368 N MET A 30 -20.784 18.085 16.135 1.00 26.21 N ATOM 369 CA MET A 30 -19.450 18.618 15.831 1.00 22.24 C ATOM 370 C MET A 30 -18.278 17.720 16.266 1.00 18.39 C ATOM 371 O MET A 30 -17.195 17.813 15.731 1.00 15.51 O ATOM 372 CB MET A 30 -19.270 19.994 16.494 1.00 21.97 C ATOM 373 CG MET A 30 -20.307 21.034 16.120 1.00 26.29 C ATOM 374 SD MET A 30 -20.115 21.659 14.433 1.00 30.35 S ATOM 375 CE MET A 30 -18.545 22.113 14.532 1.00 25.29 C ATOM 376 HA MET A 30 -19.415 18.679 14.743 1.00 0.00 H ATOM 377 HB2 MET A 30 -19.307 19.855 17.574 1.00 0.00 H ATOM 378 HB3 MET A 30 -18.290 20.379 16.212 1.00 0.00 H ATOM 379 HG2 MET A 30 -20.222 21.872 16.812 1.00 0.00 H ATOM 380 HG3 MET A 30 -21.296 20.586 16.213 1.00 0.00 H ATOM 381 HE1 MET A 30 -18.434 22.864 15.314 1.00 0.00 H ATOM 382 HE2 MET A 30 -17.931 21.244 14.771 1.00 0.00 H ATOM 383 HE3 MET A 30 -18.228 22.531 13.577 1.00 0.00 H ATOM 384 H MET A 30 -21.092 18.018 17.126 1.00 0.00 H ATOM 385 N GLU A 31 -18.495 16.875 17.263 1.00 18.40 N ATOM 386 CA GLU A 31 -17.413 16.069 17.799 1.00 17.12 C ATOM 387 C GLU A 31 -17.533 14.567 17.566 1.00 18.00 C ATOM 388 O GLU A 31 -18.622 14.014 17.418 1.00 21.80 O ATOM 389 CB GLU A 31 -17.326 16.342 19.280 1.00 17.50 C ATOM 390 CG GLU A 31 -17.689 17.785 19.644 1.00 19.97 C ATOM 391 CD GLU A 31 -17.827 18.021 21.127 1.00 20.38 C ATOM 392 OE1 GLU A 31 -18.009 17.017 21.857 1.00 20.39 O ATOM 393 OE2 GLU A 31 -17.758 19.207 21.556 1.00 21.05 O ATOM 394 HA GLU A 31 -16.513 16.362 17.259 1.00 0.00 H ATOM 395 HB2 GLU A 31 -18.010 15.670 19.798 1.00 0.00 H ATOM 396 HB3 GLU A 31 -16.306 16.146 19.610 1.00 0.00 H ATOM 397 HG2 GLU A 31 -16.909 18.443 19.262 1.00 0.00 H ATOM 398 HG3 GLU A 31 -18.637 18.032 19.166 1.00 0.00 H ATOM 399 H GLU A 31 -19.450 16.788 17.666 1.00 0.00 H ATOM 400 N VAL A 32 -16.420 13.874 17.481 1.00 16.62 N ATOM 401 CA VAL A 32 -16.523 12.422 17.327 1.00 17.44 C ATOM 402 C VAL A 32 -15.985 11.681 18.504 1.00 16.15 C ATOM 403 O VAL A 32 -15.063 12.109 19.168 1.00 14.20 O ATOM 404 CB VAL A 32 -15.767 11.905 16.144 1.00 17.52 C ATOM 405 CG1 VAL A 32 -16.480 12.330 14.905 1.00 21.07 C ATOM 406 CG2 VAL A 32 -14.343 12.402 16.185 1.00 15.13 C ATOM 407 HA VAL A 32 -17.593 12.251 17.208 1.00 0.00 H ATOM 408 HB VAL A 32 -15.722 10.816 16.159 1.00 0.00 H ATOM 409 HG11 VAL A 32 -17.490 11.920 14.910 1.00 0.00 H ATOM 410 HG12 VAL A 32 -16.528 13.418 14.870 1.00 0.00 H ATOM 411 HG13 VAL A 32 -15.941 11.961 14.032 1.00 0.00 H ATOM 412 HG21 VAL A 32 -14.339 13.492 16.166 1.00 0.00 H ATOM 413 HG22 VAL A 32 -13.863 12.052 17.099 1.00 0.00 H ATOM 414 HG23 VAL A 32 -13.801 12.020 15.320 1.00 0.00 H ATOM 415 H VAL A 32 -15.493 14.343 17.522 1.00 0.00 H ATOM 416 N ALA A 33 -16.569 10.526 18.725 1.00 17.83 N ATOM 417 CA ALA A 33 -16.183 9.621 19.802 1.00 17.54 C ATOM 418 C ALA A 33 -14.826 8.970 19.621 1.00 15.64 C ATOM 419 O ALA A 33 -14.445 8.682 18.515 1.00 15.56 O ATOM 420 CB ALA A 33 -17.262 8.528 19.948 1.00 19.95 C ATOM 421 HA ALA A 33 -16.102 10.231 20.702 1.00 0.00 H ATOM 422 HB1 ALA A 33 -18.219 8.993 20.183 1.00 0.00 H ATOM 423 HB2 ALA A 33 -17.345 7.974 19.013 1.00 0.00 H ATOM 424 HB3 ALA A 33 -16.981 7.847 20.751 1.00 0.00 H ATOM 425 H ALA A 33 -17.349 10.241 18.099 1.00 0.00 H ATOM 426 N LEU A 34 -14.165 8.680 20.736 1.00 15.35 N ATOM 427 CA LEU A 34 -12.923 7.932 20.769 1.00 16.18 C ATOM 428 C LEU A 34 -12.738 6.913 21.918 1.00 18.60 C ATOM 429 O LEU A 34 -13.041 7.187 23.099 1.00 20.31 O ATOM 430 CB LEU A 34 -11.782 8.912 20.916 1.00 14.03 C ATOM 431 CG LEU A 34 -11.533 9.938 19.850 1.00 12.95 C ATOM 432 CD1 LEU A 34 -10.436 10.692 20.442 1.00 13.32 C ATOM 433 CD2 LEU A 34 -11.102 9.349 18.563 1.00 12.14 C ATOM 434 HA LEU A 34 -12.944 7.359 19.842 1.00 0.00 H ATOM 435 HB2 LEU A 34 -11.953 9.457 21.844 1.00 0.00 H ATOM 436 HB3 LEU A 34 -10.870 8.322 21.005 1.00 0.00 H ATOM 437 HG LEU A 34 -12.425 10.511 19.599 1.00 0.00 H ATOM 438 HD21 LEU A 34 -10.175 8.795 18.711 1.00 0.00 H ATOM 439 HD22 LEU A 34 -11.875 8.674 18.197 1.00 0.00 H ATOM 440 HD23 LEU A 34 -10.939 10.145 17.837 1.00 0.00 H ATOM 441 HD11 LEU A 34 -10.761 11.119 21.391 1.00 0.00 H ATOM 442 HD12 LEU A 34 -9.590 10.026 20.613 1.00 0.00 H ATOM 443 HD13 LEU A 34 -10.140 11.492 19.764 1.00 0.00 H ATOM 444 H LEU A 34 -14.562 9.009 21.639 1.00 0.00 H ATOM 445 N LYS A 35 -12.148 5.767 21.630 1.00 19.52 N ATOM 446 CA LYS A 35 -11.853 4.846 22.743 1.00 21.62 C ATOM 447 C LYS A 35 -10.355 4.828 22.875 1.00 21.20 C ATOM 448 O LYS A 35 -9.645 4.886 21.871 1.00 20.39 O ATOM 449 CB LYS A 35 -12.405 3.433 22.495 1.00 24.99 C ATOM 450 CG LYS A 35 -13.898 3.378 22.258 1.00 26.17 C ATOM 451 CD LYS A 35 -14.641 3.735 23.528 1.00 26.85 C ATOM 452 CE LYS A 35 -16.147 3.556 23.421 1.00 29.10 C ATOM 453 NZ LYS A 35 -16.801 4.370 22.376 1.00 27.51 N ATOM 454 HA LYS A 35 -12.336 5.185 23.659 1.00 0.00 H ATOM 455 HB2 LYS A 35 -11.905 3.020 21.619 1.00 0.00 H ATOM 456 HB3 LYS A 35 -12.175 2.819 23.366 1.00 0.00 H ATOM 457 HG2 LYS A 35 -14.165 4.086 21.473 1.00 0.00 H ATOM 458 HG3 LYS A 35 -14.177 2.371 21.948 1.00 0.00 H ATOM 459 HD2 LYS A 35 -14.274 3.098 24.333 1.00 0.00 H ATOM 460 HD3 LYS A 35 -14.434 4.778 23.768 1.00 0.00 H ATOM 461 HE2 LYS A 35 -16.588 3.821 24.382 1.00 0.00 H ATOM 462 HE3 LYS A 35 -16.348 2.506 23.207 1.00 0.00 H ATOM 463 HZ1 LYS A 35 -16.634 5.378 22.568 1.00 0.00 H ATOM 464 HZ2 LYS A 35 -16.405 4.123 21.447 1.00 0.00 H ATOM 465 HZ3 LYS A 35 -17.824 4.180 22.380 1.00 0.00 H ATOM 466 H LYS A 35 -11.900 5.522 20.650 1.00 0.00 H ATOM 467 N LYS A 36 -9.849 4.788 24.108 1.00 22.69 N ATOM 468 CA LYS A 36 -8.402 4.733 24.224 1.00 24.07 C ATOM 469 C LYS A 36 -7.818 3.747 23.223 1.00 26.05 C ATOM 470 O LYS A 36 -8.365 2.644 23.003 1.00 27.84 O ATOM 471 CB LYS A 36 -8.002 4.373 25.654 1.00 27.71 C ATOM 472 CG LYS A 36 -8.471 5.379 26.694 1.00 20.00 C ATOM 473 CD LYS A 36 -7.859 5.095 28.053 1.00 20.00 C ATOM 474 CE LYS A 36 -8.335 6.098 29.093 1.00 20.00 C ATOM 475 NZ LYS A 36 -7.739 5.837 30.431 1.00 20.00 N ATOM 476 HA LYS A 36 -7.994 5.717 23.993 1.00 0.00 H ATOM 477 HB2 LYS A 36 -8.432 3.401 25.897 1.00 0.00 H ATOM 478 HB3 LYS A 36 -6.915 4.310 25.702 1.00 0.00 H ATOM 479 HG2 LYS A 36 -8.180 6.380 26.376 1.00 0.00 H ATOM 480 HG3 LYS A 36 -9.557 5.326 26.775 1.00 0.00 H ATOM 481 HD2 LYS A 36 -8.145 4.092 28.369 1.00 0.00 H ATOM 482 HD3 LYS A 36 -6.773 5.154 27.973 1.00 0.00 H ATOM 483 HE2 LYS A 36 -9.420 6.035 29.172 1.00 0.00 H ATOM 484 HE3 LYS A 36 -8.053 7.100 28.771 1.00 0.00 H ATOM 485 HZ1 LYS A 36 -8.009 4.884 30.750 1.00 0.00 H ATOM 486 HZ2 LYS A 36 -6.703 5.902 30.366 1.00 0.00 H ATOM 487 HZ3 LYS A 36 -8.090 6.543 31.109 1.00 0.00 H ATOM 488 H LYS A 36 -10.462 4.796 24.948 1.00 0.00 H ATOM 489 N GLY A 37 -6.750 4.153 22.599 1.00 25.48 N ATOM 490 CA GLY A 37 -6.117 3.262 21.660 1.00 27.93 C ATOM 491 C GLY A 37 -6.509 3.396 20.210 1.00 27.11 C ATOM 492 O GLY A 37 -5.780 2.941 19.334 1.00 28.08 O ATOM 493 HA3 GLY A 37 -6.347 2.242 21.969 1.00 0.00 H ATOM 494 HA2 GLY A 37 -5.041 3.426 21.726 1.00 0.00 H ATOM 495 H GLY A 37 -6.361 5.102 22.775 1.00 0.00 H ATOM 496 N ASP A 38 -7.661 3.995 19.939 1.00 26.19 N ATOM 497 CA ASP A 38 -8.096 4.147 18.554 1.00 26.09 C ATOM 498 C ASP A 38 -7.078 4.985 17.764 1.00 25.26 C ATOM 499 O ASP A 38 -6.395 5.887 18.343 1.00 24.38 O ATOM 500 CB ASP A 38 -9.429 4.877 18.499 1.00 24.56 C ATOM 501 CG ASP A 38 -10.562 4.063 19.049 1.00 27.85 C ATOM 502 OD1 ASP A 38 -10.461 2.807 19.086 1.00 27.96 O ATOM 503 OD2 ASP A 38 -11.590 4.635 19.483 1.00 28.92 O ATOM 504 HA ASP A 38 -8.187 3.150 18.122 1.00 0.00 H ATOM 505 HB2 ASP A 38 -9.347 5.796 19.079 1.00 0.00 H ATOM 506 HB3 ASP A 38 -9.649 5.123 17.460 1.00 0.00 H ATOM 507 H ASP A 38 -8.254 4.356 20.713 1.00 0.00 H ATOM 508 N LEU A 39 -7.014 4.705 16.458 1.00 25.22 N ATOM 509 CA LEU A 39 -6.166 5.405 15.518 1.00 24.07 C ATOM 510 C LEU A 39 -7.012 6.340 14.708 1.00 22.46 C ATOM 511 O LEU A 39 -8.168 6.048 14.460 1.00 24.15 O ATOM 512 CB LEU A 39 -5.559 4.408 14.572 1.00 26.96 C ATOM 513 CG LEU A 39 -4.474 3.616 15.271 1.00 30.10 C ATOM 514 CD1 LEU A 39 -3.827 2.667 14.265 1.00 34.53 C ATOM 515 CD2 LEU A 39 -3.446 4.578 15.874 1.00 28.77 C ATOM 516 HA LEU A 39 -5.391 5.949 16.058 1.00 0.00 H ATOM 517 HB2 LEU A 39 -6.334 3.726 14.222 1.00 0.00 H ATOM 518 HB3 LEU A 39 -5.128 4.935 13.721 1.00 0.00 H ATOM 519 HG LEU A 39 -4.897 3.024 16.083 1.00 0.00 H ATOM 520 HD21 LEU A 39 -3.003 5.179 15.080 1.00 0.00 H ATOM 521 HD22 LEU A 39 -3.940 5.231 16.593 1.00 0.00 H ATOM 522 HD23 LEU A 39 -2.666 4.006 16.377 1.00 0.00 H ATOM 523 HD11 LEU A 39 -4.583 1.988 13.870 1.00 0.00 H ATOM 524 HD12 LEU A 39 -3.394 3.245 13.449 1.00 0.00 H ATOM 525 HD13 LEU A 39 -3.044 2.093 14.761 1.00 0.00 H ATOM 526 H LEU A 39 -7.612 3.935 16.095 1.00 0.00 H ATOM 527 N MET A 40 -6.461 7.462 14.285 1.00 20.38 N ATOM 528 CA MET A 40 -7.219 8.381 13.483 1.00 19.56 C ATOM 529 C MET A 40 -6.239 9.232 12.685 1.00 20.15 C ATOM 530 O MET A 40 -5.054 9.364 13.063 1.00 21.15 O ATOM 531 CB MET A 40 -8.076 9.272 14.387 1.00 17.94 C ATOM 532 CG MET A 40 -7.288 10.395 15.083 1.00 17.64 C ATOM 533 SD MET A 40 -7.758 10.769 16.800 1.00 17.90 S ATOM 534 CE MET A 40 -6.954 9.400 17.623 1.00 18.74 C ATOM 535 HA MET A 40 -7.881 7.840 12.807 1.00 0.00 H ATOM 536 HB2 MET A 40 -8.858 9.727 13.779 1.00 0.00 H ATOM 537 HB3 MET A 40 -8.532 8.646 15.154 1.00 0.00 H ATOM 538 HG2 MET A 40 -7.419 11.305 14.497 1.00 0.00 H ATOM 539 HG3 MET A 40 -6.235 10.112 15.081 1.00 0.00 H ATOM 540 HE1 MET A 40 -7.356 8.461 17.242 1.00 0.00 H ATOM 541 HE2 MET A 40 -5.882 9.442 17.432 1.00 0.00 H ATOM 542 HE3 MET A 40 -7.136 9.465 18.696 1.00 0.00 H ATOM 543 H MET A 40 -5.475 7.681 14.533 1.00 0.00 H ATOM 544 N ALA A 41 -6.718 9.798 11.583 1.00 19.58 N ATOM 545 CA ALA A 41 -5.947 10.715 10.783 1.00 19.85 C ATOM 546 C ALA A 41 -6.320 12.166 11.135 1.00 18.11 C ATOM 547 O ALA A 41 -7.505 12.516 11.098 1.00 16.40 O ATOM 548 CB ALA A 41 -6.225 10.497 9.329 1.00 22.15 C ATOM 549 HA ALA A 41 -4.891 10.539 10.989 1.00 0.00 H ATOM 550 HB1 ALA A 41 -5.957 9.476 9.058 1.00 0.00 H ATOM 551 HB2 ALA A 41 -7.285 10.659 9.135 1.00 0.00 H ATOM 552 HB3 ALA A 41 -5.635 11.198 8.738 1.00 0.00 H ATOM 553 H ALA A 41 -7.688 9.570 11.286 1.00 0.00 H ATOM 554 N ILE A 42 -5.315 13.007 11.426 1.00 17.08 N ATOM 555 CA ILE A 42 -5.618 14.400 11.674 1.00 16.09 C ATOM 556 C ILE A 42 -5.874 15.117 10.365 1.00 17.96 C ATOM 557 O ILE A 42 -4.975 15.308 9.575 1.00 19.84 O ATOM 558 CB ILE A 42 -4.490 15.131 12.377 1.00 16.06 C ATOM 559 CG1 ILE A 42 -4.149 14.444 13.701 1.00 14.70 C ATOM 560 CG2 ILE A 42 -4.919 16.560 12.552 1.00 13.15 C ATOM 561 CD1 ILE A 42 -3.010 14.993 14.459 1.00 14.23 C ATOM 562 HA ILE A 42 -6.498 14.408 12.317 1.00 0.00 H ATOM 563 HB ILE A 42 -3.573 15.108 11.788 1.00 0.00 H ATOM 564 HG12 ILE A 42 -5.030 14.503 14.340 1.00 0.00 H ATOM 565 HG13 ILE A 42 -3.928 13.399 13.484 1.00 0.00 H ATOM 566 HD11 ILE A 42 -2.107 14.930 13.852 1.00 0.00 H ATOM 567 HD12 ILE A 42 -3.210 16.035 14.709 1.00 0.00 H ATOM 568 HD13 ILE A 42 -2.874 14.418 15.375 1.00 0.00 H ATOM 569 HG21 ILE A 42 -5.110 17.003 11.575 1.00 0.00 H ATOM 570 HG22 ILE A 42 -5.828 16.594 13.152 1.00 0.00 H ATOM 571 HG23 ILE A 42 -4.129 17.116 13.056 1.00 0.00 H ATOM 572 H ILE A 42 -4.335 12.663 11.472 1.00 0.00 H ATOM 573 N LEU A 43 -7.102 15.554 10.146 1.00 17.64 N ATOM 574 CA LEU A 43 -7.392 16.288 8.934 1.00 18.62 C ATOM 575 C LEU A 43 -7.048 17.749 9.029 1.00 17.51 C ATOM 576 O LEU A 43 -6.711 18.326 8.040 1.00 19.46 O ATOM 577 CB LEU A 43 -8.872 16.165 8.595 1.00 20.56 C ATOM 578 CG LEU A 43 -9.434 14.841 8.086 1.00 22.54 C ATOM 579 CD1 LEU A 43 -8.841 13.693 8.806 1.00 26.61 C ATOM 580 CD2 LEU A 43 -10.887 14.894 8.385 1.00 24.41 C ATOM 581 HA LEU A 43 -6.769 15.848 8.155 1.00 0.00 H ATOM 582 HB2 LEU A 43 -9.424 16.413 9.502 1.00 0.00 H ATOM 583 HB3 LEU A 43 -9.082 16.911 7.828 1.00 0.00 H ATOM 584 HG LEU A 43 -9.217 14.709 7.026 1.00 0.00 H ATOM 585 HD21 LEU A 43 -11.032 15.004 9.460 1.00 0.00 H ATOM 586 HD22 LEU A 43 -11.332 15.744 7.868 1.00 0.00 H ATOM 587 HD23 LEU A 43 -11.360 13.972 8.046 1.00 0.00 H ATOM 588 HD11 LEU A 43 -7.761 13.692 8.658 1.00 0.00 H ATOM 589 HD12 LEU A 43 -9.063 13.779 9.870 1.00 0.00 H ATOM 590 HD13 LEU A 43 -9.263 12.766 8.419 1.00 0.00 H ATOM 591 H LEU A 43 -7.854 15.371 10.840 1.00 0.00 H ATOM 592 N SER A 44 -7.155 18.363 10.206 1.00 15.41 N ATOM 593 CA SER A 44 -6.897 19.793 10.329 1.00 16.19 C ATOM 594 C SER A 44 -6.810 20.179 11.797 1.00 14.67 C ATOM 595 O SER A 44 -7.491 19.594 12.633 1.00 13.06 O ATOM 596 CB SER A 44 -8.012 20.575 9.654 1.00 17.58 C ATOM 597 OG SER A 44 -7.852 21.943 9.855 1.00 18.69 O ATOM 598 HA SER A 44 -5.950 20.029 9.844 1.00 0.00 H ATOM 599 HB2 SER A 44 -8.970 20.263 10.070 1.00 0.00 H ATOM 600 HB3 SER A 44 -7.997 20.367 8.584 1.00 0.00 H ATOM 601 HG SER A 44 -8.589 22.430 9.407 1.00 0.00 H ATOM 602 H SER A 44 -7.426 17.816 11.048 1.00 0.00 H ATOM 603 N LYS A 45 -5.961 21.144 12.131 1.00 16.13 N ATOM 604 CA LYS A 45 -5.876 21.588 13.516 1.00 15.83 C ATOM 605 C LYS A 45 -6.558 22.979 13.662 1.00 18.17 C ATOM 606 O LYS A 45 -6.490 23.616 14.703 1.00 18.63 O ATOM 607 CB LYS A 45 -4.432 21.608 14.015 1.00 15.80 C ATOM 608 CG LYS A 45 -3.712 20.355 13.862 1.00 15.15 C ATOM 609 CD LYS A 45 -2.267 20.523 14.273 1.00 17.01 C ATOM 610 CE LYS A 45 -1.549 19.188 14.140 1.00 17.19 C ATOM 611 NZ LYS A 45 -0.092 19.160 14.299 1.00 19.78 N ATOM 612 HA LYS A 45 -6.408 20.874 14.145 1.00 0.00 H ATOM 613 HB2 LYS A 45 -3.893 22.378 13.462 1.00 0.00 H ATOM 614 HB3 LYS A 45 -4.444 21.865 15.074 1.00 0.00 H ATOM 615 HG2 LYS A 45 -4.178 19.594 14.488 1.00 0.00 H ATOM 616 HG3 LYS A 45 -3.755 20.041 12.819 1.00 0.00 H ATOM 617 HD2 LYS A 45 -1.788 21.260 13.629 1.00 0.00 H ATOM 618 HD3 LYS A 45 -2.219 20.861 15.308 1.00 0.00 H ATOM 619 HE2 LYS A 45 -1.772 18.799 13.146 1.00 0.00 H ATOM 620 HE3 LYS A 45 -1.968 18.520 14.893 1.00 0.00 H ATOM 621 HZ1 LYS A 45 0.346 19.771 13.580 1.00 0.00 H ATOM 622 HZ2 LYS A 45 0.159 19.504 15.248 1.00 0.00 H ATOM 623 HZ3 LYS A 45 0.250 18.185 14.181 1.00 0.00 H ATOM 624 H LYS A 45 -5.358 21.582 11.405 1.00 0.00 H ATOM 625 N LYS A 46 -7.200 23.453 12.604 1.00 19.78 N ATOM 626 CA LYS A 46 -7.936 24.681 12.702 1.00 21.75 C ATOM 627 C LYS A 46 -9.370 24.375 13.109 1.00 20.47 C ATOM 628 O LYS A 46 -9.768 23.208 13.130 1.00 18.73 O ATOM 629 CB LYS A 46 -7.943 25.356 11.353 1.00 25.22 C ATOM 630 CG LYS A 46 -6.552 25.636 10.777 1.00 30.65 C ATOM 631 CD LYS A 46 -5.691 26.580 11.660 1.00 35.17 C ATOM 632 CE LYS A 46 -4.216 26.665 11.138 1.00 41.37 C ATOM 633 NZ LYS A 46 -3.304 27.777 11.726 1.00 45.70 N ATOM 634 HA LYS A 46 -7.473 25.331 13.444 1.00 0.00 H ATOM 635 HB2 LYS A 46 -8.479 24.714 10.653 1.00 0.00 H ATOM 636 HB3 LYS A 46 -8.469 26.306 11.450 1.00 0.00 H ATOM 637 HG2 LYS A 46 -6.025 24.688 10.671 1.00 0.00 H ATOM 638 HG3 LYS A 46 -6.671 26.095 9.796 1.00 0.00 H ATOM 639 HD2 LYS A 46 -6.130 27.577 11.646 1.00 0.00 H ATOM 640 HD3 LYS A 46 -5.684 26.202 12.682 1.00 0.00 H ATOM 641 HE2 LYS A 46 -4.260 26.817 10.060 1.00 0.00 H ATOM 642 HE3 LYS A 46 -3.740 25.708 11.350 1.00 0.00 H ATOM 643 HZ1 LYS A 46 -3.720 28.708 11.523 1.00 0.00 H ATOM 644 HZ2 LYS A 46 -3.223 27.649 12.755 1.00 0.00 H ATOM 645 HZ3 LYS A 46 -2.361 27.715 11.292 1.00 0.00 H ATOM 646 H LYS A 46 -7.170 22.935 11.703 1.00 0.00 H ATOM 647 N ASP A 47 -10.150 25.408 13.456 1.00 21.32 N ATOM 648 CA ASP A 47 -11.562 25.218 13.761 1.00 19.92 C ATOM 649 C ASP A 47 -12.353 25.391 12.490 1.00 21.48 C ATOM 650 O ASP A 47 -11.794 25.712 11.464 1.00 22.68 O ATOM 651 CB ASP A 47 -12.036 26.178 14.845 1.00 20.90 C ATOM 652 CG ASP A 47 -11.784 27.639 14.524 1.00 25.78 C ATOM 653 OD1 ASP A 47 -11.676 28.087 13.363 1.00 27.72 O ATOM 654 OD2 ASP A 47 -11.709 28.465 15.436 1.00 31.21 O ATOM 655 HA ASP A 47 -11.715 24.212 14.153 1.00 0.00 H ATOM 656 HB2 ASP A 47 -13.108 26.037 14.985 1.00 0.00 H ATOM 657 HB3 ASP A 47 -11.515 25.935 15.771 1.00 0.00 H ATOM 658 H ASP A 47 -9.740 26.362 13.509 1.00 0.00 H ATOM 659 N PRO A 48 -13.657 25.191 12.526 1.00 22.33 N ATOM 660 CA PRO A 48 -14.455 25.374 11.302 1.00 25.11 C ATOM 661 C PRO A 48 -14.338 26.780 10.767 1.00 28.94 C ATOM 662 O PRO A 48 -14.824 27.015 9.687 1.00 33.43 O ATOM 663 CB PRO A 48 -15.876 25.071 11.757 1.00 25.84 C ATOM 664 CG PRO A 48 -15.668 24.208 13.046 1.00 21.82 C ATOM 665 CD PRO A 48 -14.478 24.787 13.684 1.00 20.62 C ATOM 666 HA PRO A 48 -14.124 24.733 10.485 1.00 0.00 H ATOM 667 HD3 PRO A 48 -14.740 25.647 14.300 1.00 0.00 H ATOM 668 HD2 PRO A 48 -13.960 24.048 14.296 1.00 0.00 H ATOM 669 HG3 PRO A 48 -15.498 23.163 12.788 1.00 0.00 H ATOM 670 HG2 PRO A 48 -16.534 24.282 13.704 1.00 0.00 H ATOM 671 HB2 PRO A 48 -16.417 25.989 11.985 1.00 0.00 H ATOM 672 HB3 PRO A 48 -16.419 24.511 10.996 1.00 0.00 H ATOM 673 N LEU A 49 -13.677 27.698 11.461 1.00 29.27 N ATOM 674 CA LEU A 49 -13.491 29.062 10.930 1.00 33.19 C ATOM 675 C LEU A 49 -12.060 29.425 10.498 1.00 33.27 C ATOM 676 O LEU A 49 -11.736 30.573 10.249 1.00 36.12 O ATOM 677 CB LEU A 49 -13.976 30.059 11.959 1.00 34.67 C ATOM 678 CG LEU A 49 -15.477 29.977 12.093 1.00 36.49 C ATOM 679 CD1 LEU A 49 -15.879 31.033 13.048 1.00 42.88 C ATOM 680 CD2 LEU A 49 -16.093 30.255 10.738 1.00 40.00 C ATOM 681 HA LEU A 49 -14.076 29.098 10.011 1.00 0.00 H ATOM 682 HB2 LEU A 49 -13.515 29.837 12.922 1.00 0.00 H ATOM 683 HB3 LEU A 49 -13.696 31.065 11.647 1.00 0.00 H ATOM 684 HG LEU A 49 -15.802 28.997 12.441 1.00 0.00 H ATOM 685 HD21 LEU A 49 -15.801 31.251 10.405 1.00 0.00 H ATOM 686 HD22 LEU A 49 -15.741 29.513 10.021 1.00 0.00 H ATOM 687 HD23 LEU A 49 -17.179 30.200 10.816 1.00 0.00 H ATOM 688 HD11 LEU A 49 -15.394 30.857 14.008 1.00 0.00 H ATOM 689 HD12 LEU A 49 -15.577 32.006 12.660 1.00 0.00 H ATOM 690 HD13 LEU A 49 -16.961 31.012 13.177 1.00 0.00 H ATOM 691 H LEU A 49 -13.285 27.452 12.392 1.00 0.00 H ATOM 692 N GLY A 50 -11.205 28.421 10.450 1.00 30.97 N ATOM 693 CA GLY A 50 -9.807 28.572 10.096 1.00 31.77 C ATOM 694 C GLY A 50 -8.916 29.043 11.218 1.00 31.16 C ATOM 695 O GLY A 50 -7.752 29.271 10.990 1.00 32.66 O ATOM 696 HA3 GLY A 50 -9.739 29.295 9.283 1.00 0.00 H ATOM 697 HA2 GLY A 50 -9.438 27.606 9.753 1.00 0.00 H ATOM 698 H GLY A 50 -11.553 27.468 10.679 1.00 0.00 H ATOM 699 N ARG A 51 -9.477 29.220 12.412 1.00 30.43 N ATOM 700 CA ARG A 51 -8.748 29.706 13.585 1.00 30.66 C ATOM 701 C ARG A 51 -7.932 28.622 14.283 1.00 26.97 C ATOM 702 O ARG A 51 -8.251 27.455 14.218 1.00 22.95 O ATOM 703 CB ARG A 51 -9.732 30.308 14.586 1.00 31.04 C ATOM 704 CG ARG A 51 -10.491 31.458 14.059 1.00 37.97 C ATOM 705 CD ARG A 51 -11.578 31.928 14.982 1.00 44.88 C ATOM 706 NE ARG A 51 -12.503 30.851 15.338 1.00 44.86 N ATOM 707 CZ ARG A 51 -13.289 30.858 16.418 1.00 46.20 C ATOM 708 NH1 ARG A 51 -13.257 31.874 17.261 1.00 50.28 N ATOM 709 NH2 ARG A 51 -14.100 29.840 16.670 1.00 44.97 N ATOM 710 HA ARG A 51 -8.045 30.457 13.224 1.00 0.00 H ATOM 711 HB2 ARG A 51 -10.441 29.534 14.879 1.00 0.00 H ATOM 712 HB3 ARG A 51 -9.173 30.637 15.462 1.00 0.00 H ATOM 713 HG2 ARG A 51 -9.798 32.283 13.892 1.00 0.00 H ATOM 714 HG3 ARG A 51 -10.944 31.168 13.111 1.00 0.00 H ATOM 715 HD2 ARG A 51 -12.137 32.724 14.490 1.00 0.00 H ATOM 716 HD3 ARG A 51 -11.122 32.316 15.893 1.00 0.00 H ATOM 717 HE ARG A 51 -12.552 30.025 14.708 1.00 0.00 H ATOM 718 HH12 ARG A 51 -13.872 31.873 18.100 1.00 0.00 H ATOM 719 HH11 ARG A 51 -12.617 32.675 17.086 1.00 0.00 H ATOM 720 HH22 ARG A 51 -14.708 29.856 17.514 1.00 0.00 H ATOM 721 HH21 ARG A 51 -14.128 29.026 16.024 1.00 0.00 H ATOM 722 H ARG A 51 -10.488 29.001 12.517 1.00 0.00 H ATOM 723 N ASP A 52 -6.864 29.004 14.955 1.00 28.87 N ATOM 724 CA ASP A 52 -6.115 28.004 15.710 1.00 26.98 C ATOM 725 C ASP A 52 -7.109 27.403 16.659 1.00 24.30 C ATOM 726 O ASP A 52 -8.080 28.065 17.082 1.00 25.19 O ATOM 727 CB ASP A 52 -4.990 28.664 16.484 1.00 29.62 C ATOM 728 CG ASP A 52 -4.147 29.527 15.587 1.00 36.64 C ATOM 729 OD1 ASP A 52 -3.662 28.933 14.612 1.00 36.86 O ATOM 730 OD2 ASP A 52 -3.952 30.785 15.713 1.00 44.58 O ATOM 731 HA ASP A 52 -5.663 27.255 15.059 1.00 0.00 H ATOM 732 HB2 ASP A 52 -5.416 29.282 17.274 1.00 0.00 H ATOM 733 HB3 ASP A 52 -4.362 27.891 16.927 1.00 0.00 H ATOM 734 H ASP A 52 -6.561 29.999 14.947 1.00 0.00 H ATOM 735 N SER A 53 -6.878 26.154 17.035 1.00 20.57 N ATOM 736 CA SER A 53 -7.869 25.475 17.827 1.00 17.27 C ATOM 737 C SER A 53 -7.291 24.363 18.648 1.00 16.42 C ATOM 738 O SER A 53 -6.415 23.638 18.212 1.00 16.03 O ATOM 739 CB SER A 53 -8.877 24.888 16.889 1.00 15.94 C ATOM 740 OG SER A 53 -9.805 24.156 17.581 1.00 14.44 O ATOM 741 HA SER A 53 -8.307 26.199 18.514 1.00 0.00 H ATOM 742 HB2 SER A 53 -8.369 24.240 16.175 1.00 0.00 H ATOM 743 HB3 SER A 53 -9.381 25.693 16.353 1.00 0.00 H ATOM 744 HG SER A 53 -9.350 23.423 18.066 1.00 0.00 H ATOM 745 H SER A 53 -5.997 25.673 16.763 1.00 0.00 H ATOM 746 N ASP A 54 -7.789 24.216 19.861 1.00 16.69 N ATOM 747 CA ASP A 54 -7.351 23.116 20.668 1.00 15.33 C ATOM 748 C ASP A 54 -8.187 21.891 20.346 1.00 12.87 C ATOM 749 O ASP A 54 -8.062 20.859 21.024 1.00 11.76 O ATOM 750 CB ASP A 54 -7.478 23.502 22.137 1.00 17.25 C ATOM 751 CG ASP A 54 -6.491 24.535 22.532 1.00 20.05 C ATOM 752 OD1 ASP A 54 -5.350 24.431 22.061 1.00 23.94 O ATOM 753 OD2 ASP A 54 -6.743 25.489 23.282 1.00 24.58 O ATOM 754 HA ASP A 54 -6.308 22.879 20.459 1.00 0.00 H ATOM 755 HB2 ASP A 54 -8.482 23.889 22.313 1.00 0.00 H ATOM 756 HB3 ASP A 54 -7.321 22.614 22.749 1.00 0.00 H ATOM 757 H ASP A 54 -8.491 24.890 20.227 1.00 0.00 H ATOM 758 N TRP A 55 -9.076 22.048 19.365 1.00 11.56 N ATOM 759 CA TRP A 55 -9.941 20.971 18.921 1.00 11.54 C ATOM 760 C TRP A 55 -9.572 20.686 17.473 1.00 11.57 C ATOM 761 O TRP A 55 -9.542 21.607 16.702 1.00 13.03 O ATOM 762 CB TRP A 55 -11.422 21.329 19.041 1.00 11.92 C ATOM 763 CG TRP A 55 -11.906 21.291 20.445 1.00 12.10 C ATOM 764 CD1 TRP A 55 -11.738 22.233 21.383 1.00 13.57 C ATOM 765 CD2 TRP A 55 -12.611 20.240 21.068 1.00 10.76 C ATOM 766 NE1 TRP A 55 -12.300 21.839 22.569 1.00 13.07 N ATOM 767 CE2 TRP A 55 -12.848 20.615 22.389 1.00 11.94 C ATOM 768 CE3 TRP A 55 -13.075 18.994 20.635 1.00 11.34 C ATOM 769 CZ2 TRP A 55 -13.504 19.797 23.285 1.00 15.00 C ATOM 770 CZ3 TRP A 55 -13.722 18.194 21.503 1.00 11.16 C ATOM 771 CH2 TRP A 55 -13.942 18.590 22.820 1.00 12.42 C ATOM 772 HA TRP A 55 -9.796 20.094 19.552 1.00 0.00 H ATOM 773 HB2 TRP A 55 -11.572 22.334 18.647 1.00 0.00 H ATOM 774 HB3 TRP A 55 -12.002 20.619 18.452 1.00 0.00 H ATOM 775 HE1 TRP A 55 -12.305 22.386 23.454 1.00 0.00 H ATOM 776 HD1 TRP A 55 -11.225 23.182 21.225 1.00 0.00 H ATOM 777 HZ2 TRP A 55 -13.666 20.101 24.319 1.00 0.00 H ATOM 778 HH2 TRP A 55 -14.476 17.921 23.495 1.00 0.00 H ATOM 779 HZ3 TRP A 55 -14.080 17.220 21.170 1.00 0.00 H ATOM 780 HE3 TRP A 55 -12.914 18.674 19.605 1.00 0.00 H ATOM 781 H TRP A 55 -9.152 22.976 18.901 1.00 0.00 H ATOM 782 N TRP A 56 -9.252 19.441 17.131 1.00 9.57 N ATOM 783 CA TRP A 56 -8.834 19.138 15.808 1.00 10.63 C ATOM 784 C TRP A 56 -9.835 18.241 15.059 1.00 12.18 C ATOM 785 O TRP A 56 -10.518 17.390 15.665 1.00 12.10 O ATOM 786 CB TRP A 56 -7.510 18.439 15.878 1.00 10.73 C ATOM 787 CG TRP A 56 -6.465 19.263 16.491 1.00 12.97 C ATOM 788 CD1 TRP A 56 -6.554 20.584 16.799 1.00 14.78 C ATOM 789 CD2 TRP A 56 -5.146 18.859 16.831 1.00 11.93 C ATOM 790 NE1 TRP A 56 -5.374 21.028 17.319 1.00 13.19 N ATOM 791 CE2 TRP A 56 -4.484 19.991 17.345 1.00 13.31 C ATOM 792 CE3 TRP A 56 -4.449 17.642 16.772 1.00 12.83 C ATOM 793 CZ2 TRP A 56 -3.149 19.952 17.799 1.00 13.90 C ATOM 794 CZ3 TRP A 56 -3.106 17.596 17.207 1.00 13.74 C ATOM 795 CH2 TRP A 56 -2.483 18.743 17.735 1.00 15.38 C ATOM 796 HA TRP A 56 -8.765 20.076 15.257 1.00 0.00 H ATOM 797 HB2 TRP A 56 -7.627 17.529 16.467 1.00 0.00 H ATOM 798 HB3 TRP A 56 -7.200 18.178 14.866 1.00 0.00 H ATOM 799 HE1 TRP A 56 -5.183 21.998 17.643 1.00 0.00 H ATOM 800 HD1 TRP A 56 -7.441 21.200 16.652 1.00 0.00 H ATOM 801 HZ2 TRP A 56 -2.659 20.845 18.187 1.00 0.00 H ATOM 802 HH2 TRP A 56 -1.458 18.676 18.099 1.00 0.00 H ATOM 803 HZ3 TRP A 56 -2.546 16.664 17.133 1.00 0.00 H ATOM 804 HE3 TRP A 56 -4.938 16.744 16.395 1.00 0.00 H ATOM 805 H TRP A 56 -9.308 18.682 17.840 1.00 0.00 H ATOM 806 N LYS A 57 -9.912 18.429 13.741 1.00 13.59 N ATOM 807 CA LYS A 57 -10.764 17.637 12.891 1.00 14.83 C ATOM 808 C LYS A 57 -9.982 16.388 12.524 1.00 14.61 C ATOM 809 O LYS A 57 -8.830 16.469 12.034 1.00 13.43 O ATOM 810 CB LYS A 57 -11.177 18.412 11.629 1.00 16.67 C ATOM 811 CG LYS A 57 -12.524 17.936 11.125 1.00 20.13 C ATOM 812 CD LYS A 57 -13.283 18.874 10.177 1.00 23.63 C ATOM 813 CE LYS A 57 -12.643 18.838 8.833 1.00 28.88 C ATOM 814 NZ LYS A 57 -13.468 19.438 7.786 1.00 32.77 N ATOM 815 HA LYS A 57 -11.687 17.382 13.412 1.00 0.00 H ATOM 816 HB2 LYS A 57 -11.238 19.474 11.865 1.00 0.00 H ATOM 817 HB3 LYS A 57 -10.429 18.256 10.852 1.00 0.00 H ATOM 818 HG2 LYS A 57 -12.365 16.995 10.599 1.00 0.00 H ATOM 819 HG3 LYS A 57 -13.158 17.763 11.994 1.00 0.00 H ATOM 820 HD2 LYS A 57 -14.320 18.549 10.096 1.00 0.00 H ATOM 821 HD3 LYS A 57 -13.252 19.891 10.568 1.00 0.00 H ATOM 822 HE2 LYS A 57 -12.450 17.798 8.569 1.00 0.00 H ATOM 823 HE3 LYS A 57 -11.699 19.380 8.884 1.00 0.00 H ATOM 824 HZ1 LYS A 57 -14.369 18.924 7.719 1.00 0.00 H ATOM 825 HZ2 LYS A 57 -13.653 20.434 8.020 1.00 0.00 H ATOM 826 HZ3 LYS A 57 -12.967 19.381 6.876 1.00 0.00 H ATOM 827 H LYS A 57 -9.334 19.178 13.309 1.00 0.00 H ATOM 828 N VAL A 58 -10.609 15.236 12.776 1.00 14.93 N ATOM 829 CA VAL A 58 -9.977 13.950 12.458 1.00 16.58 C ATOM 830 C VAL A 58 -10.898 12.956 11.826 1.00 18.84 C ATOM 831 O VAL A 58 -12.099 13.146 11.862 1.00 21.20 O ATOM 832 CB VAL A 58 -9.441 13.275 13.687 1.00 15.39 C ATOM 833 CG1 VAL A 58 -8.545 14.272 14.447 1.00 11.49 C ATOM 834 CG2 VAL A 58 -10.586 12.721 14.498 1.00 12.27 C ATOM 835 HA VAL A 58 -9.188 14.223 11.757 1.00 0.00 H ATOM 836 HB VAL A 58 -8.814 12.419 13.438 1.00 0.00 H ATOM 837 HG11 VAL A 58 -7.721 14.581 13.804 1.00 0.00 H ATOM 838 HG12 VAL A 58 -9.133 15.145 14.730 1.00 0.00 H ATOM 839 HG13 VAL A 58 -8.149 13.793 15.343 1.00 0.00 H ATOM 840 HG21 VAL A 58 -11.250 13.535 14.790 1.00 0.00 H ATOM 841 HG22 VAL A 58 -11.138 11.998 13.898 1.00 0.00 H ATOM 842 HG23 VAL A 58 -10.195 12.231 15.390 1.00 0.00 H ATOM 843 H VAL A 58 -11.557 15.250 13.203 1.00 0.00 H ATOM 844 N ARG A 59 -10.334 11.900 11.260 1.00 20.73 N ATOM 845 CA ARG A 59 -11.106 10.840 10.607 1.00 22.85 C ATOM 846 C ARG A 59 -10.700 9.607 11.360 1.00 23.11 C ATOM 847 O ARG A 59 -9.521 9.323 11.478 1.00 23.21 O ATOM 848 CB ARG A 59 -10.731 10.695 9.131 1.00 25.14 C ATOM 849 CG ARG A 59 -11.937 10.378 8.230 1.00 29.11 C ATOM 850 CD ARG A 59 -11.718 9.324 7.215 1.00 31.13 C ATOM 851 NE ARG A 59 -12.819 9.325 6.276 1.00 40.30 N ATOM 852 CZ ARG A 59 -13.089 10.343 5.461 1.00 43.20 C ATOM 853 NH1 ARG A 59 -12.343 11.451 5.464 1.00 39.10 N ATOM 854 NH2 ARG A 59 -14.095 10.236 4.616 1.00 48.90 N ATOM 855 HA ARG A 59 -12.178 11.038 10.625 1.00 0.00 H ATOM 856 HB2 ARG A 59 -10.282 11.629 8.794 1.00 0.00 H ATOM 857 HB3 ARG A 59 -10.004 9.888 9.035 1.00 0.00 H ATOM 858 HG2 ARG A 59 -12.760 10.061 8.870 1.00 0.00 H ATOM 859 HG3 ARG A 59 -12.216 11.293 7.708 1.00 0.00 H ATOM 860 HD2 ARG A 59 -11.659 8.353 7.706 1.00 0.00 H ATOM 861 HD3 ARG A 59 -10.786 9.518 6.684 1.00 0.00 H ATOM 862 HE ARG A 59 -13.432 8.486 6.235 1.00 0.00 H ATOM 863 HH12 ARG A 59 -12.572 12.234 4.819 1.00 0.00 H ATOM 864 HH11 ARG A 59 -11.533 11.531 6.111 1.00 0.00 H ATOM 865 HH22 ARG A 59 -14.319 11.022 3.973 1.00 0.00 H ATOM 866 HH21 ARG A 59 -14.664 9.366 4.593 1.00 0.00 H ATOM 867 H ARG A 59 -9.297 11.820 11.280 1.00 0.00 H ATOM 868 N THR A 60 -11.650 8.884 11.929 1.00 24.01 N ATOM 869 CA THR A 60 -11.255 7.728 12.711 1.00 23.68 C ATOM 870 C THR A 60 -11.407 6.519 11.887 1.00 27.68 C ATOM 871 O THR A 60 -11.858 6.606 10.722 1.00 29.25 O ATOM 872 CB THR A 60 -12.127 7.586 13.909 1.00 22.88 C ATOM 873 OG1 THR A 60 -13.424 8.087 13.599 1.00 21.84 O ATOM 874 CG2 THR A 60 -11.635 8.502 14.959 1.00 19.57 C ATOM 875 HA THR A 60 -10.220 7.858 13.028 1.00 0.00 H ATOM 876 HB THR A 60 -12.135 6.540 14.215 1.00 0.00 H ATOM 877 HG1 THR A 60 -13.804 7.571 12.845 1.00 0.00 H ATOM 878 HG23 THR A 60 -10.635 8.197 15.266 1.00 0.00 H ATOM 879 HG21 THR A 60 -11.601 9.518 14.566 1.00 0.00 H ATOM 880 HG22 THR A 60 -12.307 8.464 15.816 1.00 0.00 H ATOM 881 H THR A 60 -12.653 9.137 11.819 1.00 0.00 H ATOM 882 N LYS A 61 -11.069 5.394 12.517 1.00 29.39 N ATOM 883 CA LYS A 61 -11.107 4.091 11.876 1.00 33.57 C ATOM 884 C LYS A 61 -12.503 3.786 11.353 1.00 35.84 C ATOM 885 O LYS A 61 -12.647 3.405 10.210 1.00 39.10 O ATOM 886 CB LYS A 61 -10.632 3.012 12.847 1.00 36.31 C ATOM 887 CG LYS A 61 -9.202 3.206 13.328 1.00 20.00 C ATOM 888 CD LYS A 61 -8.710 1.996 14.103 1.00 20.00 C ATOM 889 CE LYS A 61 -7.283 2.196 14.589 1.00 20.00 C ATOM 890 NZ LYS A 61 -6.784 1.016 15.346 1.00 20.00 N ATOM 891 HA LYS A 61 -10.431 4.103 11.021 1.00 0.00 H ATOM 892 HB2 LYS A 61 -11.291 3.017 13.715 1.00 0.00 H ATOM 893 HB3 LYS A 61 -10.699 2.046 12.347 1.00 0.00 H ATOM 894 HG2 LYS A 61 -8.555 3.362 12.465 1.00 0.00 H ATOM 895 HG3 LYS A 61 -9.161 4.083 13.974 1.00 0.00 H ATOM 896 HD2 LYS A 61 -9.360 1.837 14.964 1.00 0.00 H ATOM 897 HD3 LYS A 61 -8.746 1.120 13.455 1.00 0.00 H ATOM 898 HE2 LYS A 61 -7.251 3.071 15.238 1.00 0.00 H ATOM 899 HE3 LYS A 61 -6.637 2.361 13.727 1.00 0.00 H ATOM 900 HZ1 LYS A 61 -7.391 0.855 16.175 1.00 0.00 H ATOM 901 HZ2 LYS A 61 -6.805 0.177 14.731 1.00 0.00 H ATOM 902 HZ3 LYS A 61 -5.808 1.194 15.659 1.00 0.00 H ATOM 903 H LYS A 61 -10.765 5.452 13.510 1.00 0.00 H ATOM 904 N ASN A 62 -13.496 3.962 12.199 1.00 35.21 N ATOM 905 CA ASN A 62 -14.856 3.620 11.789 1.00 38.14 C ATOM 906 C ASN A 62 -15.300 4.517 10.653 1.00 37.48 C ATOM 907 O ASN A 62 -16.352 4.288 10.090 1.00 40.85 O ATOM 908 CB ASN A 62 -15.843 3.761 12.947 1.00 37.58 C ATOM 909 CG ASN A 62 -16.162 5.246 13.259 1.00 36.87 C ATOM 910 OD1 ASN A 62 -15.252 6.125 13.311 1.00 34.60 O ATOM 911 ND2 ASN A 62 -17.447 5.532 13.445 1.00 37.62 N ATOM 912 HA ASN A 62 -14.847 2.580 11.463 1.00 0.00 H ATOM 913 HB2 ASN A 62 -16.769 3.249 12.685 1.00 0.00 H ATOM 914 HB3 ASN A 62 -15.412 3.299 13.835 1.00 0.00 H ATOM 915 HD22 ASN A 62 -18.161 4.777 13.393 1.00 0.00 H ATOM 916 HD21 ASN A 62 -17.739 6.511 13.642 1.00 0.00 H ATOM 917 H ASN A 62 -13.314 4.341 13.150 1.00 0.00 H ATOM 918 N GLY A 63 -14.540 5.561 10.332 1.00 33.73 N ATOM 919 CA GLY A 63 -14.948 6.437 9.220 1.00 33.87 C ATOM 920 C GLY A 63 -15.686 7.753 9.545 1.00 31.30 C ATOM 921 O GLY A 63 -16.128 8.477 8.662 1.00 31.42 O ATOM 922 HA3 GLY A 63 -15.604 5.852 8.575 1.00 0.00 H ATOM 923 HA2 GLY A 63 -14.044 6.703 8.672 1.00 0.00 H ATOM 924 H GLY A 63 -13.666 5.757 10.861 1.00 0.00 H ATOM 925 N ASN A 64 -15.804 8.069 10.828 1.00 27.99 N ATOM 926 CA ASN A 64 -16.420 9.292 11.220 1.00 26.78 C ATOM 927 C ASN A 64 -15.450 10.458 11.127 1.00 23.82 C ATOM 928 O ASN A 64 -14.269 10.319 11.465 1.00 21.47 O ATOM 929 CB ASN A 64 -16.906 9.161 12.650 1.00 26.16 C ATOM 930 CG ASN A 64 -18.073 8.228 12.779 1.00 31.38 C ATOM 931 OD1 ASN A 64 -18.514 7.949 13.889 1.00 32.34 O ATOM 932 ND2 ASN A 64 -18.589 7.728 11.641 1.00 37.85 N ATOM 933 HA ASN A 64 -17.253 9.489 10.546 1.00 0.00 H ATOM 934 HB2 ASN A 64 -16.088 8.784 13.264 1.00 0.00 H ATOM 935 HB3 ASN A 64 -17.205 10.146 13.009 1.00 0.00 H ATOM 936 HD22 ASN A 64 -18.180 7.995 10.723 1.00 0.00 H ATOM 937 HD21 ASN A 64 -19.397 7.075 11.680 1.00 0.00 H ATOM 938 H ASN A 64 -15.443 7.418 11.554 1.00 0.00 H ATOM 939 N ILE A 65 -15.953 11.609 10.687 1.00 24.01 N ATOM 940 CA ILE A 65 -15.154 12.816 10.657 1.00 22.21 C ATOM 941 C ILE A 65 -15.651 13.758 11.716 1.00 19.49 C ATOM 942 O ILE A 65 -16.845 13.850 11.940 1.00 20.19 O ATOM 943 CB ILE A 65 -15.261 13.493 9.323 1.00 24.82 C ATOM 944 CG1 ILE A 65 -14.843 12.535 8.232 1.00 30.74 C ATOM 945 CG2 ILE A 65 -14.344 14.722 9.260 1.00 24.10 C ATOM 946 CD1 ILE A 65 -14.750 13.205 6.829 1.00 36.61 C ATOM 947 HA ILE A 65 -14.113 12.549 10.836 1.00 0.00 H ATOM 948 HB ILE A 65 -16.296 13.805 9.185 1.00 0.00 H ATOM 949 HG12 ILE A 65 -13.865 12.126 8.486 1.00 0.00 H ATOM 950 HG13 ILE A 65 -15.572 11.727 8.182 1.00 0.00 H ATOM 951 HD11 ILE A 65 -15.724 13.611 6.556 1.00 0.00 H ATOM 952 HD12 ILE A 65 -14.016 14.010 6.860 1.00 0.00 H ATOM 953 HD13 ILE A 65 -14.445 12.462 6.092 1.00 0.00 H ATOM 954 HG21 ILE A 65 -14.632 15.429 10.038 1.00 0.00 H ATOM 955 HG22 ILE A 65 -13.311 14.411 9.415 1.00 0.00 H ATOM 956 HG23 ILE A 65 -14.440 15.195 8.283 1.00 0.00 H ATOM 957 H ILE A 65 -16.939 11.642 10.358 1.00 0.00 H ATOM 958 N GLY A 66 -14.739 14.465 12.361 1.00 16.21 N ATOM 959 CA GLY A 66 -15.135 15.409 13.403 1.00 14.88 C ATOM 960 C GLY A 66 -14.006 15.880 14.318 1.00 13.11 C ATOM 961 O GLY A 66 -12.810 15.544 14.160 1.00 12.47 O ATOM 962 HA3 GLY A 66 -15.893 14.930 14.022 1.00 0.00 H ATOM 963 HA2 GLY A 66 -15.565 16.286 12.918 1.00 0.00 H ATOM 964 H GLY A 66 -13.733 14.348 12.125 1.00 0.00 H ATOM 965 N TYR A 67 -14.387 16.656 15.308 1.00 12.76 N ATOM 966 CA TYR A 67 -13.431 17.248 16.203 1.00 11.34 C ATOM 967 C TYR A 67 -13.207 16.464 17.512 1.00 10.72 C ATOM 968 O TYR A 67 -14.128 15.941 18.096 1.00 11.88 O ATOM 969 CB TYR A 67 -13.901 18.675 16.493 1.00 11.66 C ATOM 970 CG TYR A 67 -13.601 19.670 15.402 1.00 13.69 C ATOM 971 CD1 TYR A 67 -14.519 19.890 14.379 1.00 13.90 C ATOM 972 CD2 TYR A 67 -12.378 20.401 15.384 1.00 12.94 C ATOM 973 CE1 TYR A 67 -14.250 20.791 13.364 1.00 15.38 C ATOM 974 CE2 TYR A 67 -12.117 21.317 14.389 1.00 13.05 C ATOM 975 CZ TYR A 67 -13.068 21.501 13.380 1.00 15.26 C ATOM 976 OH TYR A 67 -12.857 22.367 12.347 1.00 17.93 O ATOM 977 HA TYR A 67 -12.457 17.234 15.714 1.00 0.00 H ATOM 978 HB3 TYR A 67 -13.413 19.015 17.406 1.00 0.00 H ATOM 979 HB2 TYR A 67 -14.980 18.653 16.646 1.00 0.00 H ATOM 980 HD2 TYR A 67 -11.639 20.233 16.168 1.00 0.00 H ATOM 981 HE2 TYR A 67 -11.188 21.887 14.388 1.00 0.00 H ATOM 982 HE1 TYR A 67 -14.968 20.939 12.557 1.00 0.00 H ATOM 983 HD1 TYR A 67 -15.463 19.345 14.378 1.00 0.00 H ATOM 984 HH TYR A 67 -13.641 22.355 11.742 1.00 0.00 H ATOM 985 H TYR A 67 -15.400 16.845 15.446 1.00 0.00 H ATOM 986 N ILE A 68 -11.983 16.399 17.984 1.00 10.22 N ATOM 987 CA ILE A 68 -11.710 15.796 19.277 1.00 11.51 C ATOM 988 C ILE A 68 -10.772 16.714 20.027 1.00 12.85 C ATOM 989 O ILE A 68 -10.100 17.559 19.389 1.00 14.03 O ATOM 990 CB ILE A 68 -11.003 14.458 19.090 1.00 11.32 C ATOM 991 CG1 ILE A 68 -9.829 14.565 18.097 1.00 9.88 C ATOM 992 CG2 ILE A 68 -11.979 13.469 18.569 1.00 13.67 C ATOM 993 CD1 ILE A 68 -8.676 15.331 18.560 1.00 7.67 C ATOM 994 HA ILE A 68 -12.645 15.645 19.816 1.00 0.00 H ATOM 995 HB ILE A 68 -10.605 14.148 20.056 1.00 0.00 H ATOM 996 HG12 ILE A 68 -9.490 13.555 17.868 1.00 0.00 H ATOM 997 HG13 ILE A 68 -10.201 15.036 17.187 1.00 0.00 H ATOM 998 HD11 ILE A 68 -8.985 16.353 18.780 1.00 0.00 H ATOM 999 HD12 ILE A 68 -8.273 14.870 19.462 1.00 0.00 H ATOM 1000 HD13 ILE A 68 -7.912 15.340 17.783 1.00 0.00 H ATOM 1001 HG21 ILE A 68 -12.797 13.358 19.281 1.00 0.00 H ATOM 1002 HG22 ILE A 68 -12.371 13.816 17.613 1.00 0.00 H ATOM 1003 HG23 ILE A 68 -11.483 12.508 18.432 1.00 0.00 H ATOM 1004 H ILE A 68 -11.197 16.785 17.423 1.00 0.00 H ATOM 1005 N PRO A 69 -10.677 16.554 21.348 1.00 13.69 N ATOM 1006 CA PRO A 69 -9.778 17.367 22.161 1.00 14.44 C ATOM 1007 C PRO A 69 -8.295 17.013 21.879 1.00 14.42 C ATOM 1008 O PRO A 69 -7.850 15.864 22.039 1.00 15.97 O ATOM 1009 CB PRO A 69 -10.148 16.968 23.591 1.00 15.54 C ATOM 1010 CG PRO A 69 -11.377 16.262 23.484 1.00 15.78 C ATOM 1011 CD PRO A 69 -11.405 15.591 22.179 1.00 15.33 C ATOM 1012 HA PRO A 69 -9.879 18.434 21.961 1.00 0.00 H ATOM 1013 HD3 PRO A 69 -10.896 14.628 22.214 1.00 0.00 H ATOM 1014 HD2 PRO A 69 -12.426 15.448 21.825 1.00 0.00 H ATOM 1015 HG3 PRO A 69 -12.212 16.959 23.559 1.00 0.00 H ATOM 1016 HG2 PRO A 69 -11.449 15.523 24.282 1.00 0.00 H ATOM 1017 HB2 PRO A 69 -9.377 16.328 24.020 1.00 0.00 H ATOM 1018 HB3 PRO A 69 -10.271 17.854 24.214 1.00 0.00 H ATOM 1019 N TYR A 70 -7.532 18.006 21.472 1.00 13.07 N ATOM 1020 CA TYR A 70 -6.170 17.763 21.143 1.00 13.03 C ATOM 1021 C TYR A 70 -5.366 17.010 22.238 1.00 13.75 C ATOM 1022 O TYR A 70 -4.509 16.131 21.949 1.00 12.89 O ATOM 1023 CB TYR A 70 -5.505 19.081 20.733 1.00 14.58 C ATOM 1024 CG TYR A 70 -4.837 19.784 21.825 1.00 13.73 C ATOM 1025 CD1 TYR A 70 -3.532 19.510 22.128 1.00 14.64 C ATOM 1026 CD2 TYR A 70 -5.503 20.762 22.545 1.00 17.35 C ATOM 1027 CE1 TYR A 70 -2.865 20.173 23.154 1.00 17.54 C ATOM 1028 CE2 TYR A 70 -4.842 21.470 23.557 1.00 19.39 C ATOM 1029 CZ TYR A 70 -3.524 21.141 23.838 1.00 20.02 C ATOM 1030 OH TYR A 70 -2.849 21.759 24.808 1.00 25.68 O ATOM 1031 HA TYR A 70 -6.162 17.073 20.299 1.00 0.00 H ATOM 1032 HB3 TYR A 70 -6.272 19.738 20.323 1.00 0.00 H ATOM 1033 HB2 TYR A 70 -4.765 18.865 19.963 1.00 0.00 H ATOM 1034 HD2 TYR A 70 -6.547 20.982 22.323 1.00 0.00 H ATOM 1035 HE2 TYR A 70 -5.351 22.260 24.110 1.00 0.00 H ATOM 1036 HE1 TYR A 70 -1.834 19.919 23.403 1.00 0.00 H ATOM 1037 HD1 TYR A 70 -3.001 18.753 21.551 1.00 0.00 H ATOM 1038 HH TYR A 70 -1.932 21.390 24.857 1.00 0.00 H ATOM 1039 H TYR A 70 -7.924 18.966 21.391 1.00 0.00 H ATOM 1040 N ASN A 71 -5.636 17.348 23.479 1.00 13.54 N ATOM 1041 CA ASN A 71 -4.909 16.703 24.538 1.00 15.45 C ATOM 1042 C ASN A 71 -5.383 15.291 24.857 1.00 15.25 C ATOM 1043 O ASN A 71 -4.844 14.667 25.770 1.00 17.57 O ATOM 1044 CB ASN A 71 -4.893 17.559 25.797 1.00 16.85 C ATOM 1045 CG ASN A 71 -6.272 17.876 26.276 1.00 17.22 C ATOM 1046 OD1 ASN A 71 -7.225 17.834 25.501 1.00 17.35 O ATOM 1047 ND2 ASN A 71 -6.403 18.191 27.547 1.00 18.76 N ATOM 1048 HA ASN A 71 -3.892 16.597 24.160 1.00 0.00 H ATOM 1049 HB2 ASN A 71 -4.363 17.020 26.582 1.00 0.00 H ATOM 1050 HB3 ASN A 71 -4.372 18.492 25.582 1.00 0.00 H ATOM 1051 HD22 ASN A 71 -5.568 18.214 28.166 1.00 0.00 H ATOM 1052 HD21 ASN A 71 -7.342 18.417 27.933 1.00 0.00 H ATOM 1053 H ASN A 71 -6.359 18.065 23.690 1.00 0.00 H ATOM 1054 N TYR A 72 -6.370 14.770 24.127 1.00 13.29 N ATOM 1055 CA TYR A 72 -6.795 13.391 24.382 1.00 14.09 C ATOM 1056 C TYR A 72 -6.072 12.415 23.460 1.00 14.76 C ATOM 1057 O TYR A 72 -6.275 11.176 23.522 1.00 15.99 O ATOM 1058 CB TYR A 72 -8.295 13.230 24.251 1.00 12.48 C ATOM 1059 CG TYR A 72 -9.049 13.534 25.519 1.00 13.75 C ATOM 1060 CD1 TYR A 72 -8.894 14.755 26.164 1.00 13.08 C ATOM 1061 CD2 TYR A 72 -9.949 12.607 26.057 1.00 13.60 C ATOM 1062 CE1 TYR A 72 -9.569 15.007 27.318 1.00 16.07 C ATOM 1063 CE2 TYR A 72 -10.648 12.880 27.188 1.00 15.13 C ATOM 1064 CZ TYR A 72 -10.449 14.068 27.830 1.00 15.66 C ATOM 1065 OH TYR A 72 -11.133 14.375 28.988 1.00 19.02 O ATOM 1066 HA TYR A 72 -6.525 13.159 25.412 1.00 0.00 H ATOM 1067 HB3 TYR A 72 -8.507 12.201 23.962 1.00 0.00 H ATOM 1068 HB2 TYR A 72 -8.647 13.905 23.471 1.00 0.00 H ATOM 1069 HD2 TYR A 72 -10.091 11.648 25.559 1.00 0.00 H ATOM 1070 HE2 TYR A 72 -11.362 12.156 27.580 1.00 0.00 H ATOM 1071 HE1 TYR A 72 -9.417 15.951 27.841 1.00 0.00 H ATOM 1072 HD1 TYR A 72 -8.231 15.512 25.745 1.00 0.00 H ATOM 1073 HH TYR A 72 -10.858 15.272 29.304 1.00 0.00 H ATOM 1074 H TYR A 72 -6.832 15.335 23.386 1.00 0.00 H ATOM 1075 N ILE A 73 -5.237 12.967 22.587 1.00 14.05 N ATOM 1076 CA ILE A 73 -4.529 12.125 21.660 1.00 14.65 C ATOM 1077 C ILE A 73 -3.035 12.363 21.661 1.00 16.20 C ATOM 1078 O ILE A 73 -2.538 13.282 22.250 1.00 15.27 O ATOM 1079 CB ILE A 73 -5.009 12.387 20.309 1.00 13.39 C ATOM 1080 CG1 ILE A 73 -4.749 13.865 19.983 1.00 13.32 C ATOM 1081 CG2 ILE A 73 -6.448 12.105 20.252 1.00 12.17 C ATOM 1082 CD1 ILE A 73 -4.664 14.166 18.520 1.00 10.48 C ATOM 1083 HA ILE A 73 -4.714 11.098 21.974 1.00 0.00 H ATOM 1084 HB ILE A 73 -4.493 11.755 19.586 1.00 0.00 H ATOM 1085 HG12 ILE A 73 -5.560 14.456 20.407 1.00 0.00 H ATOM 1086 HG13 ILE A 73 -3.807 14.157 20.447 1.00 0.00 H ATOM 1087 HD11 ILE A 73 -3.848 13.593 18.079 1.00 0.00 H ATOM 1088 HD12 ILE A 73 -5.603 13.893 18.039 1.00 0.00 H ATOM 1089 HD13 ILE A 73 -4.479 15.231 18.380 1.00 0.00 H ATOM 1090 HG21 ILE A 73 -6.623 11.060 20.509 1.00 0.00 H ATOM 1091 HG22 ILE A 73 -6.971 12.747 20.960 1.00 0.00 H ATOM 1092 HG23 ILE A 73 -6.815 12.299 19.244 1.00 0.00 H ATOM 1093 H ILE A 73 -5.096 13.997 22.574 1.00 0.00 H ATOM 1094 N GLU A 74 -2.339 11.483 20.980 1.00 17.83 N ATOM 1095 CA GLU A 74 -0.918 11.547 20.843 1.00 20.67 C ATOM 1096 C GLU A 74 -0.640 11.368 19.352 1.00 20.70 C ATOM 1097 O GLU A 74 -1.181 10.446 18.743 1.00 20.90 O ATOM 1098 CB GLU A 74 -0.379 10.379 21.605 1.00 23.81 C ATOM 1099 CG GLU A 74 1.098 10.119 21.480 1.00 30.66 C ATOM 1100 CD GLU A 74 1.470 8.807 22.158 1.00 37.82 C ATOM 1101 OE1 GLU A 74 0.928 7.739 21.751 1.00 36.92 O ATOM 1102 OE2 GLU A 74 2.281 8.849 23.120 1.00 41.31 O ATOM 1103 HA GLU A 74 -0.474 12.474 21.207 1.00 0.00 H ATOM 1104 HB2 GLU A 74 -0.599 10.542 22.660 1.00 0.00 H ATOM 1105 HB3 GLU A 74 -0.903 9.488 21.259 1.00 0.00 H ATOM 1106 HG2 GLU A 74 1.365 10.065 20.424 1.00 0.00 H ATOM 1107 HG3 GLU A 74 1.647 10.934 21.951 1.00 0.00 H ATOM 1108 H GLU A 74 -2.846 10.701 20.518 1.00 0.00 H ATOM 1109 N ILE A 75 0.141 12.268 18.747 1.00 21.02 N ATOM 1110 CA ILE A 75 0.494 12.195 17.321 1.00 21.17 C ATOM 1111 C ILE A 75 1.521 11.107 17.093 1.00 24.49 C ATOM 1112 O ILE A 75 2.466 11.016 17.842 1.00 25.88 O ATOM 1113 CB ILE A 75 1.059 13.525 16.860 1.00 21.09 C ATOM 1114 CG1 ILE A 75 -0.058 14.559 16.882 1.00 19.58 C ATOM 1115 CG2 ILE A 75 1.707 13.396 15.497 1.00 22.44 C ATOM 1116 CD1 ILE A 75 0.458 16.042 16.687 1.00 21.88 C ATOM 1117 HA ILE A 75 -0.405 11.965 16.750 1.00 0.00 H ATOM 1118 HB ILE A 75 1.848 13.854 17.536 1.00 0.00 H ATOM 1119 HG12 ILE A 75 -0.759 14.328 16.080 1.00 0.00 H ATOM 1120 HG13 ILE A 75 -0.571 14.494 17.842 1.00 0.00 H ATOM 1121 HD11 ILE A 75 1.153 16.292 17.488 1.00 0.00 H ATOM 1122 HD12 ILE A 75 0.965 16.126 15.726 1.00 0.00 H ATOM 1123 HD13 ILE A 75 -0.390 16.727 16.713 1.00 0.00 H ATOM 1124 HG21 ILE A 75 2.518 12.670 15.549 1.00 0.00 H ATOM 1125 HG22 ILE A 75 0.964 13.061 14.773 1.00 0.00 H ATOM 1126 HG23 ILE A 75 2.103 14.364 15.191 1.00 0.00 H ATOM 1127 H ILE A 75 0.517 13.057 19.311 1.00 0.00 H ATOM 1128 N ILE A 76 1.336 10.267 16.088 1.00 25.85 N ATOM 1129 CA ILE A 76 2.345 9.258 15.851 1.00 31.70 C ATOM 1130 C ILE A 76 3.347 9.870 14.903 1.00 35.58 C ATOM 1131 O ILE A 76 2.926 10.520 13.941 1.00 34.89 O ATOM 1132 CB ILE A 76 1.720 8.024 15.214 1.00 32.11 C ATOM 1133 CG1 ILE A 76 0.561 7.523 16.069 1.00 30.03 C ATOM 1134 CG2 ILE A 76 2.746 6.956 15.037 1.00 33.52 C ATOM 1135 CD1 ILE A 76 -0.187 6.434 15.421 1.00 30.87 C ATOM 1136 HA ILE A 76 2.815 8.948 16.785 1.00 0.00 H ATOM 1137 HB ILE A 76 1.333 8.292 14.231 1.00 0.00 H ATOM 1138 HG12 ILE A 76 0.957 7.160 17.017 1.00 0.00 H ATOM 1139 HG13 ILE A 76 -0.121 8.353 16.256 1.00 0.00 H ATOM 1140 HD11 ILE A 76 -0.596 6.789 14.475 1.00 0.00 H ATOM 1141 HD12 ILE A 76 0.483 5.594 15.237 1.00 0.00 H ATOM 1142 HD13 ILE A 76 -1.000 6.116 16.073 1.00 0.00 H ATOM 1143 HG21 ILE A 76 3.544 7.324 14.392 1.00 0.00 H ATOM 1144 HG22 ILE A 76 3.158 6.685 16.009 1.00 0.00 H ATOM 1145 HG23 ILE A 76 2.283 6.081 14.581 1.00 0.00 H ATOM 1146 H ILE A 76 0.490 10.330 15.486 1.00 0.00 H ATOM 1147 N LYS A 77 4.642 9.713 15.164 1.00 40.80 N ATOM 1148 CA LYS A 77 5.644 10.273 14.242 1.00 46.57 C ATOM 1149 C LYS A 77 6.712 9.247 13.885 1.00 52.36 C ATOM 1150 O LYS A 77 6.785 8.209 14.573 1.00 53.74 O ATOM 1151 CB LYS A 77 6.319 11.522 14.815 1.00 48.00 C ATOM 1152 CG LYS A 77 7.105 11.217 16.096 1.00 53.67 C ATOM 1153 CD LYS A 77 7.641 12.494 16.763 1.00 59.28 C ATOM 1154 CE LYS A 77 8.441 12.163 18.049 1.00 64.59 C ATOM 1155 NZ LYS A 77 9.421 13.233 18.473 1.00 69.93 N ATOM 1156 HA LYS A 77 5.101 10.553 13.340 1.00 0.00 H ATOM 1157 HB2 LYS A 77 7.004 11.925 14.069 1.00 0.00 H ATOM 1158 HB3 LYS A 77 5.553 12.264 15.041 1.00 0.00 H ATOM 1159 HG2 LYS A 77 6.448 10.703 16.798 1.00 0.00 H ATOM 1160 HG3 LYS A 77 7.946 10.570 15.847 1.00 0.00 H ATOM 1161 HD2 LYS A 77 8.294 13.014 16.062 1.00 0.00 H ATOM 1162 HD3 LYS A 77 6.801 13.139 17.023 1.00 0.00 H ATOM 1163 HE2 LYS A 77 8.997 11.241 17.876 1.00 0.00 H ATOM 1164 HE3 LYS A 77 7.731 12.011 18.862 1.00 0.00 H ATOM 1165 HZ1 LYS A 77 10.117 13.384 17.715 1.00 0.00 H ATOM 1166 HZ2 LYS A 77 8.908 14.119 18.656 1.00 0.00 H ATOM 1167 HZ3 LYS A 77 9.911 12.929 19.339 1.00 0.00 H ATOM 1168 H LYS A 77 4.945 9.197 16.015 1.00 0.00 H TER 1169 LYS A 77 HETATM 1170 O HOH 1 -4.346 24.832 15.875 1.00 49.28 O HETATM 1171 O HOH 2 1.048 21.313 12.604 1.00 43.25 O HETATM 1172 O HOH 3 -14.527 5.982 29.763 1.00 40.48 O HETATM 1173 O HOH 4 -18.803 9.807 16.595 1.00 32.94 O HETATM 1174 O HOH 5 -21.653 9.990 22.347 1.00 34.29 O HETATM 1175 O HOH 6 -19.567 7.679 23.543 1.00 27.86 O HETATM 1176 O HOH 7 -23.392 21.148 23.945 1.00 53.34 O HETATM 1177 O HOH 8 -2.260 15.218 9.429 1.00 32.98 O HETATM 1178 O HOH 9 -5.627 18.954 32.331 1.00 47.77 O HETATM 1179 O HOH 10 -23.250 23.498 23.197 1.00 36.16 O HETATM 1180 O HOH 11 -22.107 23.522 27.409 1.00 43.77 O HETATM 1181 N MET A 12 -9.060 11.541 36.513 1.00 0.24 N HETATM 1182 CA MET A 12 -7.998 10.802 35.748 1.00 0.07 C HETATM 1183 CB MET A 12 -8.148 9.283 35.905 1.00 0.02 C HETATM 1184 CG MET A 12 -7.554 8.742 37.206 1.00 0.00 C HETATM 1185 SD MET A 12 -7.259 6.926 37.242 1.00 -0.16 S HETATM 1186 CE MET A 12 -8.819 6.331 38.265 1.00 -0.02 C HETATM 1187 H9 MET A 12 -8.789 5.237 38.377 1.00 0.03 H HETATM 1188 H10 MET A 12 -9.738 6.620 37.734 1.00 0.03 H HETATM 1189 H11 MET A 12 -8.807 6.801 39.259 1.00 0.03 H HETATM 1190 H7 MET A 12 -8.246 8.990 38.024 1.00 0.04 H HETATM 1191 H8 MET A 12 -6.591 9.246 37.375 1.00 0.04 H HETATM 1192 H5 MET A 12 -7.640 8.794 35.061 1.00 0.04 H HETATM 1193 H6 MET A 12 -9.219 9.035 35.882 1.00 0.04 H HETATM 1194 C MET A 12 -8.056 11.205 34.279 1.00 0.23 C HETATM 1195 O MET A 12 -7.049 11.087 33.533 1.00 -0.39 O HETATM 1196 N MET A 12 -9.231 11.663 33.862 1.00 -0.25 N HETATM 1197 CA MET A 12 -9.422 12.208 32.515 1.00 0.13 C HETATM 1198 C MET A 12 -9.054 13.682 32.432 1.00 0.21 C HETATM 1199 O MET A 12 -9.567 14.488 33.180 1.00 -0.39 O HETATM 1200 N MET A 12 -8.194 14.029 31.498 1.00 -0.25 N HETATM 1201 CA MET A 12 -7.760 15.414 31.313 1.00 0.13 C HETATM 1202 C MET A 12 -8.930 16.395 31.187 1.00 0.20 C HETATM 1203 O MET A 12 -10.029 16.035 30.764 1.00 -0.39 O HETATM 1204 N MET A 12 -8.713 17.646 31.534 1.00 -0.26 N HETATM 1205 CA MET A 12 -9.765 18.639 31.401 1.00 0.16 C HETATM 1206 CB MET A 12 -9.338 19.940 32.032 1.00 0.09 C HETATM 1207 CG2 MET A 12 -10.481 20.969 31.990 1.00 -0.03 C HETATM 1208 H30 MET A 12 -10.146 21.908 32.455 1.00 0.03 H HETATM 1209 H31 MET A 12 -11.348 20.576 32.540 1.00 0.03 H HETATM 1210 H32 MET A 12 -10.765 21.159 30.945 1.00 0.03 H HETATM 1211 OG1 MET A 12 -9.071 19.732 33.439 1.00 -0.39 O HETATM 1212 H29 MET A 12 -8.368 19.101 33.537 1.00 0.21 H HETATM 1213 H28 MET A 12 -8.447 20.328 31.517 1.00 0.06 H HETATM 1214 C MET A 12 -9.951 18.915 29.971 1.00 0.21 C HETATM 1215 O MET A 12 -9.014 18.967 29.221 1.00 -0.39 O HETATM 1216 N MET A 12 -11.177 19.099 29.562 1.00 -0.26 N HETATM 1217 CA MET A 12 -11.441 19.374 28.160 1.00 0.13 C HETATM 1218 CB MET A 12 -12.905 19.071 27.856 1.00 -0.01 C HETATM 1219 CG MET A 12 -13.275 17.606 27.946 1.00 -0.04 C HETATM 1220 CD1 MET A 12 -14.769 17.363 27.912 1.00 -0.06 C HETATM 1221 H38 MET A 12 -14.966 16.283 27.981 1.00 0.02 H HETATM 1222 H39 MET A 12 -15.182 17.752 26.970 1.00 0.02 H HETATM 1223 H40 MET A 12 -15.244 17.877 28.761 1.00 0.02 H HETATM 1224 CD2 MET A 12 -12.593 16.893 26.821 1.00 -0.06 C HETATM 1225 H41 MET A 12 -11.511 17.085 26.868 1.00 0.02 H HETATM 1226 H42 MET A 12 -12.989 17.258 25.862 1.00 0.02 H HETATM 1227 H43 MET A 12 -12.778 15.812 26.907 1.00 0.02 H HETATM 1228 H37 MET A 12 -12.893 17.211 28.899 1.00 0.03 H HETATM 1229 H35 MET A 12 -13.123 19.418 26.835 1.00 0.03 H HETATM 1230 H36 MET A 12 -13.527 19.627 28.573 1.00 0.03 H HETATM 1231 C MET A 12 -11.140 20.837 27.843 1.00 0.21 C HETATM 1232 O MET A 12 -11.439 21.726 28.595 1.00 -0.39 O HETATM 1233 N MET A 12 -10.548 21.077 26.703 1.00 -0.25 N HETATM 1234 CA MET A 12 -10.279 22.451 26.240 1.00 0.13 C HETATM 1235 C MET A 12 -11.581 23.134 25.897 1.00 0.20 C HETATM 1236 O MET A 12 -12.481 22.463 25.454 1.00 -0.39 O HETATM 1237 N MET A 12 -11.652 24.445 26.079 1.00 -0.26 N HETATM 1238 CA MET A 12 -12.851 25.247 25.799 1.00 0.14 C HETATM 1239 CB MET A 12 -12.551 26.723 26.079 1.00 0.04 C HETATM 1240 CG MET A 12 -13.466 27.689 25.384 1.00 0.06 C HETATM 1241 ND1 MET A 12 -14.728 27.993 25.853 1.00 -0.26 N HETATM 1242 CE1 MET A 12 -15.290 28.882 25.054 1.00 0.09 C HETATM 1243 NE2 MET A 12 -14.435 29.184 24.094 1.00 -0.34 N HETATM 1244 CD2 MET A 12 -13.285 28.450 24.277 1.00 -0.03 C HETATM 1245 H56 MET A 12 -12.396 28.476 23.649 1.00 0.03 H HETATM 1246 H57 MET A 12 -16.291 29.296 25.168 1.00 0.11 H HETATM 1247 H55 MET A 12 -15.164 27.590 26.695 1.00 0.24 H HETATM 1248 H53 MET A 12 -11.521 26.931 25.754 1.00 0.05 H HETATM 1249 H54 MET A 12 -12.634 26.891 27.163 1.00 0.05 H HETATM 1250 C MET A 12 -13.245 25.106 24.361 1.00 0.21 C HETATM 1251 O MET A 12 -12.417 25.253 23.480 1.00 -0.39 O HETATM 1252 N MET A 12 -14.502 24.819 24.107 1.00 -0.26 N HETATM 1253 CA MET A 12 -14.911 24.728 22.723 1.00 0.13 C HETATM 1254 CB MET A 12 -15.498 23.350 22.446 1.00 -0.01 C HETATM 1255 CG MET A 12 -16.787 23.078 23.157 1.00 -0.02 C HETATM 1256 CD MET A 12 -16.983 21.581 23.395 1.00 0.06 C HETATM 1257 NE MET A 12 -16.830 21.187 24.797 1.00 -0.27 N HETATM 1258 CZ MET A 12 -17.093 19.960 25.256 1.00 0.29 C HETATM 1259 NH2 MET A 12 -16.948 19.679 26.550 1.00 -0.28 N HETATM 1260 H69 MET A 12 -16.649 20.414 27.206 1.00 0.26 H HETATM 1261 H70 MET A 12 -17.135 18.726 26.894 1.00 0.26 H HETATM 1262 NH1 MET A 12 -17.478 19.011 24.414 1.00 -0.28 N HETATM 1263 H67 MET A 12 -17.682 18.064 24.764 1.00 0.26 H HETATM 1264 H68 MET A 12 -17.573 19.221 23.410 1.00 0.26 H HETATM 1265 H66 MET A 12 -16.501 21.896 25.468 1.00 0.26 H HETATM 1266 H64 MET A 12 -16.240 21.033 22.797 1.00 0.07 H HETATM 1267 H65 MET A 12 -17.995 21.306 23.065 1.00 0.07 H HETATM 1268 H62 MET A 12 -17.620 23.456 22.546 1.00 0.03 H HETATM 1269 H63 MET A 12 -16.778 23.597 24.127 1.00 0.03 H HETATM 1270 H60 MET A 12 -14.764 22.593 22.760 1.00 0.03 H HETATM 1271 H61 MET A 12 -15.676 23.262 21.364 1.00 0.03 H HETATM 1272 C MET A 12 -15.888 25.865 22.393 1.00 0.20 C HETATM 1273 O MET A 12 -16.631 26.307 23.266 1.00 -0.39 O HETATM 1274 N MET A 12 -15.871 26.344 21.147 1.00 -0.26 N HETATM 1275 CA MET A 12 -16.704 27.463 20.727 1.00 0.14 C HETATM 1276 CB MET A 12 -16.025 28.287 19.634 1.00 0.04 C HETATM 1277 CG MET A 12 -14.914 29.137 20.156 1.00 0.04 C HETATM 1278 OD1 MET A 12 -15.199 30.169 20.824 1.00 -0.57 O HETATM 1279 OD2 MET A 12 -13.718 28.829 19.943 1.00 -0.57 O HETATM 1280 H73 MET A 12 -16.777 28.940 19.167 1.00 0.05 H HETATM 1281 H74 MET A 12 -15.617 27.600 18.878 1.00 0.05 H HETATM 1282 C MET A 12 -18.036 27.076 20.176 1.00 0.21 C HETATM 1283 O MET A 12 -18.581 27.827 19.403 1.00 -0.39 O HETATM 1284 N MET A 12 -18.579 25.936 20.539 1.00 -0.26 N HETATM 1285 CA MET A 12 -19.887 25.593 20.027 1.00 0.15 C HETATM 1286 CB MET A 12 -19.780 24.679 18.818 1.00 0.01 C HETATM 1287 CG MET A 12 -18.893 23.514 19.083 1.00 -0.04 C HETATM 1288 CD1 MET A 12 -19.137 22.456 19.920 1.00 0.02 C HETATM 1289 NE1 MET A 12 -18.066 21.601 19.934 1.00 -0.29 N HETATM 1290 CE2 MET A 12 -17.097 22.112 19.118 1.00 0.06 C HETATM 1291 CD2 MET A 12 -17.588 23.315 18.572 1.00 -0.02 C HETATM 1292 CE3 MET A 12 -16.774 24.037 17.708 1.00 -0.07 C HETATM 1293 CZ3 MET A 12 -15.549 23.554 17.395 1.00 -0.08 C HETATM 1294 CH2 MET A 12 -15.083 22.340 17.936 1.00 -0.08 C HETATM 1295 CZ2 MET A 12 -15.841 21.609 18.806 1.00 -0.04 C HETATM 1296 H82 MET A 12 -15.479 20.680 19.233 1.00 0.05 H HETATM 1297 H84 MET A 12 -14.101 21.978 17.656 1.00 0.05 H HETATM 1298 H83 MET A 12 -14.915 24.112 16.715 1.00 0.05 H HETATM 1299 H81 MET A 12 -17.116 24.977 17.289 1.00 0.05 H HETATM 1300 H80 MET A 12 -18.003 20.723 20.469 1.00 0.22 H HETATM 1301 H79 MET A 12 -20.052 22.315 20.493 1.00 0.08 H HETATM 1302 H77 MET A 12 -19.372 25.253 17.973 1.00 0.04 H HETATM 1303 H78 MET A 12 -20.784 24.311 18.560 1.00 0.04 H HETATM 1304 C MET A 12 -20.654 24.914 21.130 1.00 0.26 C HETATM 1305 O MET A 12 -20.020 24.592 22.130 1.00 -0.37 O HETATM 1306 O1 MET A 12 -21.958 24.674 21.026 1.00 -0.29 O HETATM 1307 H85 MET A 12 -22.418 25.120 21.727 1.00 0.25 H HETATM 1308 H76 MET A 12 -20.412 26.513 19.730 1.00 0.08 H HETATM 1309 H75 MET A 12 -18.096 25.317 21.158 1.00 0.19 H HETATM 1310 H72 MET A 12 -16.865 28.100 21.609 1.00 0.08 H HETATM 1311 H71 MET A 12 -15.263 25.919 20.476 1.00 0.19 H HETATM 1312 H59 MET A 12 -14.021 24.851 22.088 1.00 0.08 H HETATM 1313 H58 MET A 12 -15.156 24.668 24.848 1.00 0.19 H HETATM 1314 H52 MET A 12 -13.676 24.907 26.442 1.00 0.08 H HETATM 1315 H51 MET A 12 -10.842 24.916 26.427 1.00 0.19 H HETATM 1316 CB MET A 12 -9.527 22.226 24.932 1.00 -0.01 C HETATM 1317 CG MET A 12 -9.088 20.776 25.000 1.00 -0.03 C HETATM 1318 CD MET A 12 -10.121 20.034 25.752 1.00 0.04 C HETATM 1319 H49 MET A 12 -10.947 19.713 25.101 1.00 0.05 H HETATM 1320 H50 MET A 12 -9.700 19.159 26.268 1.00 0.05 H HETATM 1321 H47 MET A 12 -8.994 20.364 23.984 1.00 0.03 H HETATM 1322 H48 MET A 12 -8.120 20.701 25.517 1.00 0.03 H HETATM 1323 H45 MET A 12 -8.656 22.894 24.863 1.00 0.03 H HETATM 1324 H46 MET A 12 -10.188 22.393 24.069 1.00 0.03 H HETATM 1325 H44 MET A 12 -9.699 23.033 26.971 1.00 0.08 H HETATM 1326 H34 MET A 12 -10.800 18.732 27.538 1.00 0.08 H HETATM 1327 H33 MET A 12 -11.934 19.051 30.213 1.00 0.19 H HETATM 1328 H27 MET A 12 -10.696 18.273 31.858 1.00 0.08 H HETATM 1329 H26 MET A 12 -7.819 17.915 31.891 1.00 0.19 H HETATM 1330 CB MET A 12 -7.011 15.351 29.984 1.00 -0.01 C HETATM 1331 CG MET A 12 -6.523 13.910 29.893 1.00 -0.03 C HETATM 1332 CD MET A 12 -7.612 13.108 30.511 1.00 0.04 C HETATM 1333 H24 MET A 12 -8.359 12.813 29.759 1.00 0.05 H HETATM 1334 H25 MET A 12 -7.210 12.209 31.001 1.00 0.05 H HETATM 1335 H22 MET A 12 -6.371 13.617 28.844 1.00 0.03 H HETATM 1336 H23 MET A 12 -5.582 13.782 30.449 1.00 0.03 H HETATM 1337 H20 MET A 12 -6.162 16.050 29.982 1.00 0.03 H HETATM 1338 H21 MET A 12 -7.684 15.588 29.146 1.00 0.03 H HETATM 1339 H19 MET A 12 -7.101 15.731 32.135 1.00 0.08 H HETATM 1340 CB MET A 12 -10.921 12.053 32.306 1.00 -0.01 C HETATM 1341 CG MET A 12 -11.474 12.303 33.675 1.00 -0.03 C HETATM 1342 CD MET A 12 -10.485 11.654 34.637 1.00 0.04 C HETATM 1343 H17 MET A 12 -10.385 12.242 35.561 1.00 0.05 H HETATM 1344 H18 MET A 12 -10.790 10.627 34.887 1.00 0.05 H HETATM 1345 H15 MET A 12 -11.547 13.383 33.869 1.00 0.03 H HETATM 1346 H16 MET A 12 -12.468 11.844 33.778 1.00 0.03 H HETATM 1347 H13 MET A 12 -11.170 11.040 31.957 1.00 0.03 H HETATM 1348 H14 MET A 12 -11.299 12.793 31.585 1.00 0.03 H HETATM 1349 H12 MET A 12 -8.846 11.638 31.772 1.00 0.08 H HETATM 1350 H4 MET A 12 -7.016 11.092 36.150 1.00 0.11 H HETATM 1351 H1 MET A 12 -9.021 11.274 37.484 1.00 0.20 H HETATM 1352 H2 MET A 12 -9.966 11.311 36.137 1.00 0.20 H HETATM 1353 H3 MET A 12 -8.904 12.534 36.431 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1181 1182 1351 1352 1353 CONECT 1182 1181 1183 1194 1350 CONECT 1183 1182 1184 1192 1193 CONECT 1184 1183 1185 1190 1191 CONECT 1185 1184 1186 CONECT 1186 1185 1187 1188 1189 CONECT 1187 1186 CONECT 1188 1186 CONECT 1189 1186 CONECT 1190 1184 CONECT 1191 1184 CONECT 1192 1183 CONECT 1193 1183 CONECT 1194 1182 1195 1196 CONECT 1195 1194 CONECT 1196 1194 1197 1342 CONECT 1197 1196 1198 1340 1349 CONECT 1198 1197 1199 1200 CONECT 1199 1198 CONECT 1200 1198 1201 1332 CONECT 1201 1200 1202 1330 1339 CONECT 1202 1201 1203 1204 CONECT 1203 1202 CONECT 1204 1202 1205 1329 CONECT 1205 1204 1206 1214 1328 CONECT 1206 1205 1207 1211 1213 CONECT 1207 1206 1208 1209 1210 CONECT 1208 1207 CONECT 1209 1207 CONECT 1210 1207 CONECT 1211 1206 1212 CONECT 1212 1211 CONECT 1213 1206 CONECT 1214 1205 1215 1216 CONECT 1215 1214 CONECT 1216 1214 1217 1327 CONECT 1217 1216 1218 1231 1326 CONECT 1218 1217 1219 1229 1230 CONECT 1219 1218 1220 1224 1228 CONECT 1220 1219 1221 1222 1223 CONECT 1221 1220 CONECT 1222 1220 CONECT 1223 1220 CONECT 1224 1219 1225 1226 1227 CONECT 1225 1224 CONECT 1226 1224 CONECT 1227 1224 CONECT 1228 1219 CONECT 1229 1218 CONECT 1230 1218 CONECT 1231 1217 1232 1233 CONECT 1232 1231 CONECT 1233 1231 1234 1318 CONECT 1234 1233 1235 1316 1325 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 1238 1315 CONECT 1238 1237 1239 1250 1314 CONECT 1239 1238 1240 1248 1249 CONECT 1240 1239 1241 1244 CONECT 1241 1240 1242 1247 CONECT 1242 1241 1243 1246 CONECT 1243 1242 1244 CONECT 1244 1240 1243 1245 CONECT 1245 1244 CONECT 1246 1242 CONECT 1247 1241 CONECT 1248 1239 CONECT 1249 1239 CONECT 1250 1238 1251 1252 CONECT 1251 1250 CONECT 1252 1250 1253 1313 CONECT 1253 1252 1254 1272 1312 CONECT 1254 1253 1255 1270 1271 CONECT 1255 1254 1256 1268 1269 CONECT 1256 1255 1257 1266 1267 CONECT 1257 1256 1258 1265 CONECT 1258 1257 1259 1262 CONECT 1259 1258 1260 1261 CONECT 1260 1259 CONECT 1261 1259 CONECT 1262 1258 1263 1264 CONECT 1263 1262 CONECT 1264 1262 CONECT 1265 1257 CONECT 1266 1256 CONECT 1267 1256 CONECT 1268 1255 CONECT 1269 1255 CONECT 1270 1254 CONECT 1271 1254 CONECT 1272 1253 1273 1274 CONECT 1273 1272 CONECT 1274 1272 1275 1311 CONECT 1275 1274 1276 1282 1310 CONECT 1276 1275 1277 1280 1281 CONECT 1277 1276 1278 1279 CONECT 1278 1277 CONECT 1279 1277 CONECT 1280 1276 CONECT 1281 1276 CONECT 1282 1275 1283 1284 CONECT 1283 1282 CONECT 1284 1282 1285 1309 CONECT 1285 1284 1286 1304 1308 CONECT 1286 1285 1287 1302 1303 CONECT 1287 1286 1288 1291 CONECT 1288 1287 1289 1301 CONECT 1289 1288 1290 1300 CONECT 1290 1289 1291 1295 CONECT 1291 1287 1290 1292 CONECT 1292 1291 1293 1299 CONECT 1293 1292 1294 1298 CONECT 1294 1293 1295 1297 CONECT 1295 1290 1294 1296 CONECT 1296 1295 CONECT 1297 1294 CONECT 1298 1293 CONECT 1299 1292 CONECT 1300 1289 CONECT 1301 1288 CONECT 1302 1286 CONECT 1303 1286 CONECT 1304 1285 1305 1306 CONECT 1305 1304 CONECT 1306 1304 1307 CONECT 1307 1306 CONECT 1308 1285 CONECT 1309 1284 CONECT 1310 1275 CONECT 1311 1274 CONECT 1312 1253 CONECT 1313 1252 CONECT 1314 1238 CONECT 1315 1237 CONECT 1316 1234 1317 1323 1324 CONECT 1317 1316 1318 1321 1322 CONECT 1318 1233 1317 1319 1320 CONECT 1319 1318 CONECT 1320 1318 CONECT 1321 1317 CONECT 1322 1317 CONECT 1323 1316 CONECT 1324 1316 CONECT 1325 1234 CONECT 1326 1217 CONECT 1327 1216 CONECT 1328 1205 CONECT 1329 1204 CONECT 1330 1201 1331 1337 1338 CONECT 1331 1330 1332 1335 1336 CONECT 1332 1200 1331 1333 1334 CONECT 1333 1332 CONECT 1334 1332 CONECT 1335 1331 CONECT 1336 1331 CONECT 1337 1330 CONECT 1338 1330 CONECT 1339 1201 CONECT 1340 1197 1341 1347 1348 CONECT 1341 1340 1342 1345 1346 CONECT 1342 1196 1341 1343 1344 CONECT 1343 1342 CONECT 1344 1342 CONECT 1345 1341 CONECT 1346 1341 CONECT 1347 1340 CONECT 1348 1340 CONECT 1349 1197 CONECT 1350 1182 CONECT 1351 1181 CONECT 1352 1181 CONECT 1353 1181 MASTER 0 0 0 0 0 0 0 0 1352 1 177 6 END
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Entry Information
PDB ID
1n5z
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peroxisomal membrane protein PAS20 (SH3 domain)
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=44uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
(2002) MOL.CELL Vol. 10: pp. 1007-1017
Ligand Properties
Formula
C
5
7
H
8
6
N
1
6
O
1
4
S
Molecular Weight
1251.460
Exact Mass
1250.620
No. of atoms
174
No. of bonds
179
Polar Surface Area
493.78
LOGP Value
-0.06 (
Computed with XLOGP3
)
-1.40 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 42
No. of Nitrogen and Oxygen Atoms: 30
No. of Rings: 6
Canonical SMILES
CSCC[C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)CC(=O)O)CCC[NH+]=C(N)N)Cc1[nH]cnc1)CC(C)C)[C@H](O)C)[NH3+]
InChI String
InChI=1S/C57H84N16O14S/c1-30(2)23-40(68-52(82)46(31(3)74)70-51(81)43-15-9-20-72(43)55(85)44-16-10-21-73(44)53(83)35(58)17-22-88-4)54(84)71-19-8-14-42(71)50(80)67-38(25-33-28-61-29-64-33)48(78)65-37(13-7-18-62-57(59)60)47(77)66-39(26-45(75)76)49(79)69-41(56(86)87)24-32-27-63-36-12-6-5-11-34(32)36/h5-6,11-12,27-31,35,37-44,46,63,74H,7-10,13-26,58H2,1-4H3,(H,61,64)(H,65,78)(H,66,77)(H,67,80)(H,68,82)(H,69,79)(H,70,81)(H,75,76)(H,86,87)(H4,59,60,62)/p+2/t31-,35+,37+,38+,39+,40+,41+,42+,43+,44+,46+/m1/s1
Links to External Databases
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UniProtKB AC
UniProt accession number (AC):
P53112
P80667
Entrez Gene ID
NCBI Entrez Gene ID:
852724
850888
ASD
Information of known allosteric effects of PDB entries
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