Browse entries in the PDBbind-CN Database
HEADER 2RNX_COMPLEX COMPND 2RNX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 118 GLY SER HIS MET SER LYS GLU PRO ARG ASP PRO ASP GLN SEQRES 2 A 118 LEU TYR SER THR LEU LYS SER ILE LEU GLN GLN VAL LYS SEQRES 3 A 118 SER HIS GLN SER ALA TRP PRO PHE MET GLU PRO VAL LYS SEQRES 4 A 118 ARG THR GLU ALA PRO GLY TYR TYR GLU VAL ILE ARG PHE SEQRES 5 A 118 PRO MET ASP LEU LYS THR MET SER GLU ARG LEU LYS ASN SEQRES 6 A 118 ARG TYR TYR VAL SER LYS LYS LEU PHE MET ALA ASP LEU SEQRES 7 A 118 GLN ARG VAL PHE THR ASN CYS LYS GLU TYR ASN PRO PRO SEQRES 8 A 118 GLU SER GLU TYR TYR LYS CYS ALA ASN ILE LEU GLU LYS SEQRES 9 A 118 PHE PHE PHE SER LYS ILE LYS GLU ALA GLY LEU ILE ASP SEQRES 10 A 118 LYS HET SER A 119 215 ATOM 1 N GLY A 715 -31.538 3.887 8.681 1.00 0.00 N ATOM 2 CA GLY A 715 -32.219 5.128 8.218 1.00 0.00 C ATOM 3 C GLY A 715 -31.361 5.940 7.269 1.00 0.00 C ATOM 4 O GLY A 715 -31.601 7.133 7.072 1.00 0.00 O ATOM 5 HA3 GLY A 715 -32.457 5.742 9.087 1.00 0.00 H ATOM 6 HA2 GLY A 715 -33.141 4.851 7.707 1.00 0.00 H ATOM 7 HN3 GLY A 715 -30.660 4.140 9.178 1.00 0.00 H ATOM 8 HN2 GLY A 715 -31.313 3.289 7.860 1.00 0.00 H ATOM 9 HN1 GLY A 715 -32.167 3.368 9.327 1.00 0.00 H ATOM 10 N SER A 716 -30.358 5.296 6.681 1.00 0.00 N ATOM 11 CA SER A 716 -29.459 5.965 5.748 1.00 0.00 C ATOM 12 C SER A 716 -29.268 5.132 4.485 1.00 0.00 C ATOM 13 O SER A 716 -29.466 3.917 4.496 1.00 0.00 O ATOM 14 CB SER A 716 -28.105 6.226 6.411 1.00 0.00 C ATOM 15 OG SER A 716 -27.494 5.014 6.818 1.00 0.00 O ATOM 16 HA SER A 716 -29.908 6.918 5.468 1.00 0.00 H ATOM 17 HB2 SER A 716 -28.252 6.861 7.284 1.00 0.00 H ATOM 18 HB3 SER A 716 -27.452 6.733 5.700 1.00 0.00 H ATOM 19 HG SER A 716 -26.622 5.212 7.243 1.00 0.00 H ATOM 20 H SER A 716 -30.210 4.288 6.892 1.00 0.00 H ATOM 21 N HIS A 717 -28.882 5.794 3.397 1.00 0.00 N ATOM 22 CA HIS A 717 -28.665 5.116 2.124 1.00 0.00 C ATOM 23 C HIS A 717 -27.931 6.020 1.138 1.00 0.00 C ATOM 24 O HIS A 717 -28.147 5.939 -0.072 1.00 0.00 O ATOM 25 CB HIS A 717 -30.002 4.667 1.528 1.00 0.00 C ATOM 26 CG HIS A 717 -30.981 5.785 1.340 1.00 0.00 C ATOM 27 ND1 HIS A 717 -31.010 6.580 0.213 1.00 0.00 N ATOM 28 CD2 HIS A 717 -31.973 6.237 2.144 1.00 0.00 C ATOM 29 CE1 HIS A 717 -31.976 7.473 0.332 1.00 0.00 C ATOM 30 NE2 HIS A 717 -32.576 7.286 1.493 1.00 0.00 N ATOM 31 HA HIS A 717 -28.044 4.240 2.311 1.00 0.00 H ATOM 32 HB2 HIS A 717 -29.811 4.209 0.557 1.00 0.00 H ATOM 33 HB3 HIS A 717 -30.446 3.928 2.195 1.00 0.00 H ATOM 34 HD2 HIS A 717 -32.242 5.842 3.124 1.00 0.00 H ATOM 35 HE1 HIS A 717 -32.234 8.235 -0.404 1.00 0.00 H ATOM 36 H HIS A 717 -28.731 6.821 3.456 1.00 0.00 H ATOM 37 N MET A 718 -27.061 6.880 1.661 1.00 0.00 N ATOM 38 CA MET A 718 -26.298 7.799 0.824 1.00 0.00 C ATOM 39 C MET A 718 -24.836 7.369 0.728 1.00 0.00 C ATOM 40 O MET A 718 -24.094 7.849 -0.130 1.00 0.00 O ATOM 41 CB MET A 718 -26.385 9.221 1.381 1.00 0.00 C ATOM 42 CG MET A 718 -25.848 9.356 2.797 1.00 0.00 C ATOM 43 SD MET A 718 -25.846 11.062 3.382 1.00 0.00 S ATOM 44 CE MET A 718 -24.723 11.822 2.210 1.00 0.00 C ATOM 45 HA MET A 718 -26.730 7.779 -0.177 1.00 0.00 H ATOM 46 HB2 MET A 718 -25.812 9.881 0.731 1.00 0.00 H ATOM 47 HB3 MET A 718 -27.431 9.529 1.378 1.00 0.00 H ATOM 48 HG2 MET A 718 -24.826 8.978 2.820 1.00 0.00 H ATOM 49 HG3 MET A 718 -26.470 8.759 3.464 1.00 0.00 H ATOM 50 HE1 MET A 718 -23.749 11.337 2.276 1.00 0.00 H ATOM 51 HE2 MET A 718 -25.120 11.707 1.201 1.00 0.00 H ATOM 52 HE3 MET A 718 -24.619 12.882 2.443 1.00 0.00 H ATOM 53 H MET A 718 -26.922 6.897 2.691 1.00 0.00 H ATOM 54 N SER A 719 -24.432 6.461 1.611 1.00 0.00 N ATOM 55 CA SER A 719 -23.057 5.969 1.626 1.00 0.00 C ATOM 56 C SER A 719 -22.774 5.104 0.402 1.00 0.00 C ATOM 57 O SER A 719 -23.663 4.422 -0.107 1.00 0.00 O ATOM 58 CB SER A 719 -22.796 5.167 2.902 1.00 0.00 C ATOM 59 OG SER A 719 -23.632 4.024 2.966 1.00 0.00 O ATOM 60 HA SER A 719 -22.389 6.830 1.601 1.00 0.00 H ATOM 61 HB2 SER A 719 -22.992 5.800 3.767 1.00 0.00 H ATOM 62 HB3 SER A 719 -21.754 4.848 2.915 1.00 0.00 H ATOM 63 HG SER A 719 -23.455 3.443 2.184 1.00 0.00 H ATOM 64 H SER A 719 -25.111 6.092 2.307 1.00 0.00 H ATOM 65 N LYS A 720 -21.529 5.139 -0.066 1.00 0.00 N ATOM 66 CA LYS A 720 -21.128 4.356 -1.230 1.00 0.00 C ATOM 67 C LYS A 720 -20.184 3.225 -0.833 1.00 0.00 C ATOM 68 O LYS A 720 -19.689 2.490 -1.688 1.00 0.00 O ATOM 69 CB LYS A 720 -20.470 5.249 -2.267 1.00 0.00 C ATOM 70 CG LYS A 720 -21.079 5.122 -3.654 1.00 0.00 C ATOM 71 CD LYS A 720 -20.276 5.887 -4.692 1.00 0.00 C ATOM 72 CE LYS A 720 -19.203 5.015 -5.325 1.00 0.00 C ATOM 73 NZ LYS A 720 -18.339 4.362 -4.303 1.00 0.00 N ATOM 74 HA LYS A 720 -22.025 3.913 -1.663 1.00 0.00 H ATOM 75 HB2 LYS A 720 -20.567 6.285 -1.941 1.00 0.00 H ATOM 76 HB3 LYS A 720 -19.414 4.986 -2.329 1.00 0.00 H ATOM 77 HG2 LYS A 720 -21.106 4.069 -3.933 1.00 0.00 H ATOM 78 HG3 LYS A 720 -22.095 5.517 -3.632 1.00 0.00 H ATOM 79 HD2 LYS A 720 -20.951 6.240 -5.472 1.00 0.00 H ATOM 80 HD3 LYS A 720 -19.800 6.742 -4.212 1.00 0.00 H ATOM 81 HE2 LYS A 720 -18.579 5.636 -5.969 1.00 0.00 H ATOM 82 HE3 LYS A 720 -19.685 4.242 -5.924 1.00 0.00 H ATOM 83 HZ1 LYS A 720 -17.869 5.092 -3.731 1.00 0.00 H ATOM 84 HZ2 LYS A 720 -18.925 3.762 -3.688 1.00 0.00 H ATOM 85 HZ3 LYS A 720 -17.622 3.778 -4.779 1.00 0.00 H ATOM 86 H LYS A 720 -20.825 5.739 0.409 1.00 0.00 H ATOM 87 N GLU A 721 -19.938 3.100 0.469 1.00 0.00 N ATOM 88 CA GLU A 721 -19.060 2.056 0.995 1.00 0.00 C ATOM 89 C GLU A 721 -19.460 0.687 0.447 1.00 0.00 C ATOM 90 O GLU A 721 -20.573 0.213 0.677 1.00 0.00 O ATOM 91 CB GLU A 721 -19.125 2.047 2.525 1.00 0.00 C ATOM 92 CG GLU A 721 -18.291 0.952 3.167 1.00 0.00 C ATOM 93 CD GLU A 721 -18.404 0.945 4.679 1.00 0.00 C ATOM 94 OE1 GLU A 721 -19.379 0.362 5.199 1.00 0.00 O ATOM 95 OE2 GLU A 721 -17.518 1.521 5.344 1.00 0.00 O ATOM 96 HA GLU A 721 -18.039 2.268 0.678 1.00 0.00 H ATOM 97 HB2 GLU A 721 -18.768 3.010 2.890 1.00 0.00 H ATOM 98 HB3 GLU A 721 -20.164 1.909 2.824 1.00 0.00 H ATOM 99 HG2 GLU A 721 -18.628 -0.012 2.787 1.00 0.00 H ATOM 100 HG3 GLU A 721 -17.246 1.103 2.895 1.00 0.00 H ATOM 101 H GLU A 721 -20.384 3.765 1.132 1.00 0.00 H ATOM 102 N PRO A 722 -18.543 0.042 -0.290 1.00 0.00 N ATOM 103 CA PRO A 722 -18.785 -1.265 -0.886 1.00 0.00 C ATOM 104 C PRO A 722 -18.987 -2.351 0.168 1.00 0.00 C ATOM 105 O PRO A 722 -20.036 -2.989 0.208 1.00 0.00 O ATOM 106 CB PRO A 722 -17.554 -1.520 -1.748 1.00 0.00 C ATOM 107 CG PRO A 722 -16.539 -0.536 -1.336 1.00 0.00 C ATOM 108 CD PRO A 722 -17.205 0.552 -0.589 1.00 0.00 C ATOM 109 HA PRO A 722 -19.705 -1.285 -1.470 1.00 0.00 H ATOM 110 HD3 PRO A 722 -16.664 0.772 0.331 1.00 0.00 H ATOM 111 HD2 PRO A 722 -17.266 1.454 -1.198 1.00 0.00 H ATOM 112 HG3 PRO A 722 -16.046 -0.127 -2.218 1.00 0.00 H ATOM 113 HG2 PRO A 722 -15.798 -1.019 -0.698 1.00 0.00 H ATOM 114 HB2 PRO A 722 -17.184 -2.532 -1.586 1.00 0.00 H ATOM 115 HB3 PRO A 722 -17.799 -1.389 -2.802 1.00 0.00 H ATOM 116 N ARG A 723 -17.984 -2.543 1.025 1.00 0.00 N ATOM 117 CA ARG A 723 -18.051 -3.533 2.108 1.00 0.00 C ATOM 118 C ARG A 723 -18.019 -4.973 1.595 1.00 0.00 C ATOM 119 O ARG A 723 -17.119 -5.734 1.947 1.00 0.00 O ATOM 120 CB ARG A 723 -19.299 -3.316 2.959 1.00 0.00 C ATOM 121 CG ARG A 723 -19.206 -3.992 4.311 1.00 0.00 C ATOM 122 CD ARG A 723 -18.260 -3.247 5.239 1.00 0.00 C ATOM 123 NE ARG A 723 -18.178 -3.877 6.555 1.00 0.00 N ATOM 124 CZ ARG A 723 -18.541 -3.277 7.685 1.00 0.00 C ATOM 125 NH1 ARG A 723 -19.016 -2.038 7.662 1.00 0.00 N ATOM 126 NH2 ARG A 723 -18.431 -3.917 8.841 1.00 0.00 N ATOM 127 HA ARG A 723 -17.160 -3.384 2.719 1.00 0.00 H ATOM 128 HB2 ARG A 723 -19.436 -2.246 3.112 1.00 0.00 H ATOM 129 HB3 ARG A 723 -20.160 -3.718 2.426 1.00 0.00 H ATOM 130 HG2 ARG A 723 -20.198 -4.020 4.763 1.00 0.00 H ATOM 131 HG3 ARG A 723 -18.841 -5.010 4.175 1.00 0.00 H ATOM 132 HD2 ARG A 723 -18.617 -2.224 5.359 1.00 0.00 H ATOM 133 HD3 ARG A 723 -17.266 -3.233 4.792 1.00 0.00 H ATOM 134 HE ARG A 723 -17.815 -4.850 6.611 1.00 0.00 H ATOM 135 HH12 ARG A 723 -19.299 -1.573 8.548 1.00 0.00 H ATOM 136 HH11 ARG A 723 -19.106 -1.532 6.758 1.00 0.00 H ATOM 137 HH22 ARG A 723 -18.715 -3.447 9.724 1.00 0.00 H ATOM 138 HH21 ARG A 723 -18.061 -4.889 8.864 1.00 0.00 H ATOM 139 H ARG A 723 -17.122 -1.970 0.923 1.00 0.00 H ATOM 140 N ASP A 724 -19.015 -5.357 0.798 1.00 0.00 N ATOM 141 CA ASP A 724 -19.073 -6.711 0.256 1.00 0.00 C ATOM 142 C ASP A 724 -17.736 -7.087 -0.380 1.00 0.00 C ATOM 143 O ASP A 724 -16.962 -6.214 -0.766 1.00 0.00 O ATOM 144 CB ASP A 724 -20.198 -6.834 -0.771 1.00 0.00 C ATOM 145 CG ASP A 724 -21.543 -6.415 -0.210 1.00 0.00 C ATOM 146 OD1 ASP A 724 -21.731 -5.208 0.047 1.00 0.00 O ATOM 147 OD2 ASP A 724 -22.408 -7.298 -0.023 1.00 0.00 O ATOM 148 HA ASP A 724 -19.278 -7.399 1.077 1.00 0.00 H ATOM 149 HB2 ASP A 724 -19.962 -6.200 -1.626 1.00 0.00 H ATOM 150 HB3 ASP A 724 -20.263 -7.872 -1.097 1.00 0.00 H ATOM 151 H ASP A 724 -19.766 -4.679 0.557 1.00 0.00 H ATOM 152 N PRO A 725 -17.452 -8.394 -0.507 1.00 0.00 N ATOM 153 CA PRO A 725 -16.199 -8.875 -1.066 1.00 0.00 C ATOM 154 C PRO A 725 -16.169 -8.791 -2.585 1.00 0.00 C ATOM 155 O PRO A 725 -15.102 -8.807 -3.194 1.00 0.00 O ATOM 156 CB PRO A 725 -16.111 -10.333 -0.592 1.00 0.00 C ATOM 157 CG PRO A 725 -17.369 -10.611 0.167 1.00 0.00 C ATOM 158 CD PRO A 725 -18.332 -9.501 -0.147 1.00 0.00 C ATOM 159 HA PRO A 725 -15.355 -8.269 -0.738 1.00 0.00 H ATOM 160 HD3 PRO A 725 -18.983 -9.771 -0.979 1.00 0.00 H ATOM 161 HD2 PRO A 725 -18.940 -9.252 0.723 1.00 0.00 H ATOM 162 HG3 PRO A 725 -17.162 -10.635 1.237 1.00 0.00 H ATOM 163 HG2 PRO A 725 -17.788 -11.568 -0.142 1.00 0.00 H ATOM 164 HB2 PRO A 725 -16.032 -11.003 -1.448 1.00 0.00 H ATOM 165 HB3 PRO A 725 -15.244 -10.467 0.054 1.00 0.00 H ATOM 166 N ASP A 726 -17.347 -8.705 -3.191 1.00 0.00 N ATOM 167 CA ASP A 726 -17.460 -8.606 -4.641 1.00 0.00 C ATOM 168 C ASP A 726 -17.503 -7.148 -5.064 1.00 0.00 C ATOM 169 O ASP A 726 -16.781 -6.747 -5.976 1.00 0.00 O ATOM 170 CB ASP A 726 -18.707 -9.339 -5.138 1.00 0.00 C ATOM 171 CG ASP A 726 -18.886 -9.225 -6.639 1.00 0.00 C ATOM 172 OD1 ASP A 726 -19.509 -8.240 -7.091 1.00 0.00 O ATOM 173 OD2 ASP A 726 -18.403 -10.120 -7.364 1.00 0.00 O ATOM 174 HA ASP A 726 -16.585 -9.078 -5.088 1.00 0.00 H ATOM 175 HB2 ASP A 726 -18.622 -10.393 -4.875 1.00 0.00 H ATOM 176 HB3 ASP A 726 -19.582 -8.913 -4.648 1.00 0.00 H ATOM 177 H ASP A 726 -18.213 -8.708 -2.615 1.00 0.00 H ATOM 178 N GLN A 727 -18.355 -6.351 -4.413 1.00 0.00 N ATOM 179 CA GLN A 727 -18.420 -4.938 -4.745 1.00 0.00 C ATOM 180 C GLN A 727 -17.036 -4.356 -4.596 1.00 0.00 C ATOM 181 O GLN A 727 -16.574 -3.617 -5.452 1.00 0.00 O ATOM 182 CB GLN A 727 -19.414 -4.176 -3.886 1.00 0.00 C ATOM 183 CG GLN A 727 -20.764 -4.837 -3.814 1.00 0.00 C ATOM 184 CD GLN A 727 -21.718 -4.135 -2.868 1.00 0.00 C ATOM 185 OE1 GLN A 727 -21.298 -3.499 -1.905 1.00 0.00 O ATOM 186 NE2 GLN A 727 -23.013 -4.250 -3.140 1.00 0.00 N ATOM 187 HA GLN A 727 -18.774 -4.840 -5.771 1.00 0.00 H ATOM 188 HB2 GLN A 727 -19.012 -4.098 -2.876 1.00 0.00 H ATOM 189 HB3 GLN A 727 -19.539 -3.177 -4.304 1.00 0.00 H ATOM 190 HG2 GLN A 727 -21.203 -4.840 -4.812 1.00 0.00 H ATOM 191 HG3 GLN A 727 -20.630 -5.864 -3.474 1.00 0.00 H ATOM 192 HE22 GLN A 727 -23.324 -4.799 -3.967 1.00 0.00 H ATOM 193 HE21 GLN A 727 -23.716 -3.791 -2.526 1.00 0.00 H ATOM 194 H GLN A 727 -18.970 -6.741 -3.671 1.00 0.00 H ATOM 195 N LEU A 728 -16.366 -4.743 -3.513 1.00 0.00 N ATOM 196 CA LEU A 728 -15.013 -4.290 -3.244 1.00 0.00 C ATOM 197 C LEU A 728 -14.070 -4.873 -4.264 1.00 0.00 C ATOM 198 O LEU A 728 -13.382 -4.149 -4.960 1.00 0.00 O ATOM 199 CB LEU A 728 -14.568 -4.715 -1.853 1.00 0.00 C ATOM 200 CG LEU A 728 -14.933 -3.752 -0.743 1.00 0.00 C ATOM 201 CD1 LEU A 728 -14.839 -4.426 0.613 1.00 0.00 C ATOM 202 CD2 LEU A 728 -13.994 -2.578 -0.818 1.00 0.00 C ATOM 203 HA LEU A 728 -14.998 -3.202 -3.302 1.00 0.00 H ATOM 204 HB2 LEU A 728 -15.027 -5.678 -1.630 1.00 0.00 H ATOM 205 HB3 LEU A 728 -13.484 -4.825 -1.863 1.00 0.00 H ATOM 206 HG LEU A 728 -15.963 -3.418 -0.866 1.00 0.00 H ATOM 207 HD21 LEU A 728 -12.969 -2.926 -0.693 1.00 0.00 H ATOM 208 HD22 LEU A 728 -14.099 -2.092 -1.788 1.00 0.00 H ATOM 209 HD23 LEU A 728 -14.237 -1.869 -0.027 1.00 0.00 H ATOM 210 HD11 LEU A 728 -15.524 -5.273 0.645 1.00 0.00 H ATOM 211 HD12 LEU A 728 -13.819 -4.776 0.774 1.00 0.00 H ATOM 212 HD13 LEU A 728 -15.106 -3.712 1.392 1.00 0.00 H ATOM 213 H LEU A 728 -16.825 -5.389 -2.840 1.00 0.00 H ATOM 214 N TYR A 729 -14.067 -6.189 -4.377 1.00 0.00 N ATOM 215 CA TYR A 729 -13.196 -6.851 -5.324 1.00 0.00 C ATOM 216 C TYR A 729 -13.046 -6.023 -6.573 1.00 0.00 C ATOM 217 O TYR A 729 -11.959 -5.543 -6.865 1.00 0.00 O ATOM 218 CB TYR A 729 -13.787 -8.210 -5.688 1.00 0.00 C ATOM 219 CG TYR A 729 -13.502 -8.664 -7.095 1.00 0.00 C ATOM 220 CD1 TYR A 729 -12.214 -8.886 -7.465 1.00 0.00 C ATOM 221 CD2 TYR A 729 -14.504 -8.881 -8.030 1.00 0.00 C ATOM 222 CE1 TYR A 729 -11.874 -9.314 -8.723 1.00 0.00 C ATOM 223 CE2 TYR A 729 -14.194 -9.311 -9.311 1.00 0.00 C ATOM 224 CZ TYR A 729 -12.870 -9.527 -9.653 1.00 0.00 C ATOM 225 OH TYR A 729 -12.549 -9.956 -10.921 1.00 0.00 O ATOM 226 HA TYR A 729 -12.214 -6.980 -4.868 1.00 0.00 H ATOM 227 HB3 TYR A 729 -14.868 -8.155 -5.561 1.00 0.00 H ATOM 228 HB2 TYR A 729 -13.379 -8.953 -5.002 1.00 0.00 H ATOM 229 HD2 TYR A 729 -15.545 -8.712 -7.755 1.00 0.00 H ATOM 230 HE2 TYR A 729 -14.985 -9.477 -10.042 1.00 0.00 H ATOM 231 HE1 TYR A 729 -10.830 -9.484 -8.985 1.00 0.00 H ATOM 232 HD1 TYR A 729 -11.422 -8.718 -6.736 1.00 0.00 H ATOM 233 HH TYR A 729 -11.567 -10.059 -10.995 1.00 0.00 H ATOM 234 H TYR A 729 -14.699 -6.757 -3.777 1.00 0.00 H ATOM 235 N SER A 730 -14.129 -5.792 -7.279 1.00 0.00 N ATOM 236 CA SER A 730 -14.011 -5.028 -8.489 1.00 0.00 C ATOM 237 C SER A 730 -14.058 -3.526 -8.262 1.00 0.00 C ATOM 238 O SER A 730 -13.658 -2.759 -9.139 1.00 0.00 O ATOM 239 CB SER A 730 -14.927 -5.512 -9.582 1.00 0.00 C ATOM 240 OG SER A 730 -15.459 -4.436 -10.336 1.00 0.00 O ATOM 241 HA SER A 730 -13.004 -5.216 -8.861 1.00 0.00 H ATOM 242 HB2 SER A 730 -15.749 -6.069 -9.133 1.00 0.00 H ATOM 243 HB3 SER A 730 -14.366 -6.167 -10.248 1.00 0.00 H ATOM 244 HG SER A 730 -14.718 -3.928 -10.752 1.00 0.00 H ATOM 245 H SER A 730 -15.053 -6.155 -6.968 1.00 0.00 H ATOM 246 N THR A 731 -14.546 -3.088 -7.102 1.00 0.00 N ATOM 247 CA THR A 731 -14.533 -1.661 -6.818 1.00 0.00 C ATOM 248 C THR A 731 -13.090 -1.295 -6.800 1.00 0.00 C ATOM 249 O THR A 731 -12.595 -0.514 -7.609 1.00 0.00 O ATOM 250 CB THR A 731 -15.150 -1.313 -5.445 1.00 0.00 C ATOM 251 OG1 THR A 731 -16.566 -1.137 -5.576 1.00 0.00 O ATOM 252 CG2 THR A 731 -14.536 -0.047 -4.856 1.00 0.00 C ATOM 253 HA THR A 731 -15.123 -1.125 -7.561 1.00 0.00 H ATOM 254 HB THR A 731 -14.938 -2.141 -4.769 1.00 0.00 H ATOM 255 HG1 THR A 731 -16.972 -1.975 -5.914 1.00 0.00 H ATOM 256 HG23 THR A 731 -13.459 -0.180 -4.756 1.00 0.00 H ATOM 257 HG21 THR A 731 -14.740 0.795 -5.517 1.00 0.00 H ATOM 258 HG22 THR A 731 -14.972 0.145 -3.876 1.00 0.00 H ATOM 259 H THR A 731 -14.932 -3.759 -6.407 1.00 0.00 H ATOM 260 N LEU A 732 -12.441 -1.948 -5.873 1.00 0.00 N ATOM 261 CA LEU A 732 -11.036 -1.848 -5.665 1.00 0.00 C ATOM 262 C LEU A 732 -10.302 -2.213 -6.944 1.00 0.00 C ATOM 263 O LEU A 732 -9.239 -1.679 -7.231 1.00 0.00 O ATOM 264 CB LEU A 732 -10.644 -2.811 -4.570 1.00 0.00 C ATOM 265 CG LEU A 732 -11.547 -2.888 -3.347 1.00 0.00 C ATOM 266 CD1 LEU A 732 -11.400 -4.240 -2.714 1.00 0.00 C ATOM 267 CD2 LEU A 732 -11.193 -1.818 -2.352 1.00 0.00 C ATOM 268 HA LEU A 732 -10.774 -0.828 -5.382 1.00 0.00 H ATOM 269 HB2 LEU A 732 -10.604 -3.807 -5.010 1.00 0.00 H ATOM 270 HB3 LEU A 732 -9.650 -2.527 -4.225 1.00 0.00 H ATOM 271 HG LEU A 732 -12.580 -2.733 -3.659 1.00 0.00 H ATOM 272 HD21 LEU A 732 -10.159 -1.947 -2.034 1.00 0.00 H ATOM 273 HD22 LEU A 732 -11.312 -0.839 -2.816 1.00 0.00 H ATOM 274 HD23 LEU A 732 -11.853 -1.895 -1.488 1.00 0.00 H ATOM 275 HD11 LEU A 732 -11.687 -5.009 -3.432 1.00 0.00 H ATOM 276 HD12 LEU A 732 -10.362 -4.389 -2.415 1.00 0.00 H ATOM 277 HD13 LEU A 732 -12.045 -4.301 -1.837 1.00 0.00 H ATOM 278 H LEU A 732 -12.983 -2.579 -5.249 1.00 0.00 H ATOM 279 N LYS A 733 -10.876 -3.141 -7.712 1.00 0.00 N ATOM 280 CA LYS A 733 -10.266 -3.559 -8.969 1.00 0.00 C ATOM 281 C LYS A 733 -10.046 -2.335 -9.823 1.00 0.00 C ATOM 282 O LYS A 733 -9.132 -2.282 -10.630 1.00 0.00 O ATOM 283 CB LYS A 733 -11.151 -4.575 -9.696 1.00 0.00 C ATOM 284 CG LYS A 733 -10.580 -5.105 -10.997 1.00 0.00 C ATOM 285 CD LYS A 733 -10.958 -6.560 -11.219 1.00 0.00 C ATOM 286 CE LYS A 733 -12.393 -6.717 -11.674 1.00 0.00 C ATOM 287 NZ LYS A 733 -12.855 -5.567 -12.502 1.00 0.00 N ATOM 288 HA LYS A 733 -9.312 -4.046 -8.768 1.00 0.00 H ATOM 289 HB2 LYS A 733 -11.314 -5.421 -9.028 1.00 0.00 H ATOM 290 HB3 LYS A 733 -12.106 -4.097 -9.915 1.00 0.00 H ATOM 291 HG2 LYS A 733 -10.967 -4.508 -11.823 1.00 0.00 H ATOM 292 HG3 LYS A 733 -9.494 -5.021 -10.967 1.00 0.00 H ATOM 293 HD2 LYS A 733 -10.301 -6.981 -11.980 1.00 0.00 H ATOM 294 HD3 LYS A 733 -10.825 -7.104 -10.284 1.00 0.00 H ATOM 295 HE2 LYS A 733 -13.033 -6.795 -10.795 1.00 0.00 H ATOM 296 HE3 LYS A 733 -12.476 -7.630 -12.264 1.00 0.00 H ATOM 297 HZ1 LYS A 733 -12.788 -4.691 -11.945 1.00 0.00 H ATOM 298 HZ2 LYS A 733 -12.256 -5.488 -13.348 1.00 0.00 H ATOM 299 HZ3 LYS A 733 -13.843 -5.722 -12.788 1.00 0.00 H ATOM 300 H LYS A 733 -11.772 -3.573 -7.409 1.00 0.00 H ATOM 301 N SER A 734 -10.880 -1.333 -9.586 1.00 0.00 N ATOM 302 CA SER A 734 -10.801 -0.079 -10.317 1.00 0.00 C ATOM 303 C SER A 734 -9.826 0.848 -9.621 1.00 0.00 C ATOM 304 O SER A 734 -8.941 1.406 -10.266 1.00 0.00 O ATOM 305 CB SER A 734 -12.177 0.578 -10.431 1.00 0.00 C ATOM 306 OG SER A 734 -12.121 1.745 -11.233 1.00 0.00 O ATOM 307 HA SER A 734 -10.447 -0.283 -11.328 1.00 0.00 H ATOM 308 HB2 SER A 734 -12.527 0.847 -9.434 1.00 0.00 H ATOM 309 HB3 SER A 734 -12.874 -0.130 -10.880 1.00 0.00 H ATOM 310 HG SER A 734 -13.023 2.149 -11.290 1.00 0.00 H ATOM 311 H SER A 734 -11.612 -1.447 -8.856 1.00 0.00 H ATOM 312 N ILE A 735 -9.991 1.033 -8.302 1.00 0.00 N ATOM 313 CA ILE A 735 -9.060 1.866 -7.572 1.00 0.00 C ATOM 314 C ILE A 735 -7.671 1.381 -7.909 1.00 0.00 C ATOM 315 O ILE A 735 -6.912 2.083 -8.548 1.00 0.00 O ATOM 316 CB ILE A 735 -9.290 1.845 -6.047 1.00 0.00 C ATOM 317 CG1 ILE A 735 -10.674 2.396 -5.764 1.00 0.00 C ATOM 318 CG2 ILE A 735 -8.243 2.708 -5.337 1.00 0.00 C ATOM 319 CD1 ILE A 735 -11.750 1.368 -5.783 1.00 0.00 C ATOM 320 HA ILE A 735 -9.206 2.904 -7.870 1.00 0.00 H ATOM 321 HB ILE A 735 -9.203 0.823 -5.679 1.00 0.00 H ATOM 322 HG12 ILE A 735 -10.663 2.863 -4.779 1.00 0.00 H ATOM 323 HG13 ILE A 735 -10.905 3.148 -6.518 1.00 0.00 H ATOM 324 HD11 ILE A 735 -11.785 0.898 -6.766 1.00 0.00 H ATOM 325 HD12 ILE A 735 -11.542 0.613 -5.025 1.00 0.00 H ATOM 326 HD13 ILE A 735 -12.708 1.843 -5.572 1.00 0.00 H ATOM 327 HG21 ILE A 735 -7.248 2.319 -5.552 1.00 0.00 H ATOM 328 HG22 ILE A 735 -8.318 3.735 -5.694 1.00 0.00 H ATOM 329 HG23 ILE A 735 -8.421 2.681 -4.262 1.00 0.00 H ATOM 330 H ILE A 735 -10.785 0.579 -7.807 1.00 0.00 H ATOM 331 N LEU A 736 -7.385 0.139 -7.539 1.00 0.00 N ATOM 332 CA LEU A 736 -6.105 -0.482 -7.842 1.00 0.00 C ATOM 333 C LEU A 736 -5.696 -0.162 -9.265 1.00 0.00 C ATOM 334 O LEU A 736 -4.649 0.419 -9.511 1.00 0.00 O ATOM 335 CB LEU A 736 -6.207 -1.997 -7.688 1.00 0.00 C ATOM 336 CG LEU A 736 -5.169 -2.614 -6.781 1.00 0.00 C ATOM 337 CD1 LEU A 736 -5.423 -4.082 -6.712 1.00 0.00 C ATOM 338 CD2 LEU A 736 -3.771 -2.292 -7.241 1.00 0.00 C ATOM 339 HA LEU A 736 -5.360 -0.092 -7.148 1.00 0.00 H ATOM 340 HB2 LEU A 736 -7.192 -2.231 -7.285 1.00 0.00 H ATOM 341 HB3 LEU A 736 -6.104 -2.446 -8.676 1.00 0.00 H ATOM 342 HG LEU A 736 -5.251 -2.192 -5.779 1.00 0.00 H ATOM 343 HD21 LEU A 736 -3.623 -2.680 -8.249 1.00 0.00 H ATOM 344 HD22 LEU A 736 -3.630 -1.211 -7.242 1.00 0.00 H ATOM 345 HD23 LEU A 736 -3.052 -2.753 -6.564 1.00 0.00 H ATOM 346 HD11 LEU A 736 -6.422 -4.258 -6.313 1.00 0.00 H ATOM 347 HD12 LEU A 736 -5.349 -4.510 -7.712 1.00 0.00 H ATOM 348 HD13 LEU A 736 -4.683 -4.547 -6.061 1.00 0.00 H ATOM 349 H LEU A 736 -8.099 -0.408 -7.016 1.00 0.00 H ATOM 350 N GLN A 737 -6.549 -0.567 -10.190 1.00 0.00 N ATOM 351 CA GLN A 737 -6.330 -0.332 -11.614 1.00 0.00 C ATOM 352 C GLN A 737 -5.901 1.108 -11.878 1.00 0.00 C ATOM 353 O GLN A 737 -5.122 1.383 -12.789 1.00 0.00 O ATOM 354 CB GLN A 737 -7.619 -0.642 -12.383 1.00 0.00 C ATOM 355 CG GLN A 737 -7.673 -2.040 -12.966 1.00 0.00 C ATOM 356 CD GLN A 737 -8.815 -2.226 -13.943 1.00 0.00 C ATOM 357 OE1 GLN A 737 -9.860 -1.585 -13.826 1.00 0.00 O ATOM 358 NE2 GLN A 737 -8.623 -3.111 -14.915 1.00 0.00 N ATOM 359 HA GLN A 737 -5.528 -0.988 -11.954 1.00 0.00 H ATOM 360 HB2 GLN A 737 -8.461 -0.523 -11.701 1.00 0.00 H ATOM 361 HB3 GLN A 737 -7.710 0.073 -13.200 1.00 0.00 H ATOM 362 HG2 GLN A 737 -6.735 -2.237 -13.485 1.00 0.00 H ATOM 363 HG3 GLN A 737 -7.793 -2.753 -12.150 1.00 0.00 H ATOM 364 HE22 GLN A 737 -7.724 -3.630 -14.975 1.00 0.00 H ATOM 365 HE21 GLN A 737 -9.372 -3.285 -15.615 1.00 0.00 H ATOM 366 H GLN A 737 -7.408 -1.072 -9.892 1.00 0.00 H ATOM 367 N GLN A 738 -6.403 2.011 -11.055 1.00 0.00 N ATOM 368 CA GLN A 738 -6.114 3.434 -11.179 1.00 0.00 C ATOM 369 C GLN A 738 -4.810 3.818 -10.476 1.00 0.00 C ATOM 370 O GLN A 738 -3.900 4.364 -11.099 1.00 0.00 O ATOM 371 CB GLN A 738 -7.284 4.232 -10.606 1.00 0.00 C ATOM 372 CG GLN A 738 -8.524 4.161 -11.478 1.00 0.00 C ATOM 373 CD GLN A 738 -9.777 4.643 -10.773 1.00 0.00 C ATOM 374 OE1 GLN A 738 -10.664 5.228 -11.393 1.00 0.00 O ATOM 375 NE2 GLN A 738 -9.861 4.387 -9.474 1.00 0.00 N ATOM 376 HA GLN A 738 -5.985 3.668 -12.236 1.00 0.00 H ATOM 377 HB2 GLN A 738 -7.527 3.836 -9.620 1.00 0.00 H ATOM 378 HB3 GLN A 738 -6.982 5.275 -10.512 1.00 0.00 H ATOM 379 HG2 GLN A 738 -8.363 4.779 -12.361 1.00 0.00 H ATOM 380 HG3 GLN A 738 -8.674 3.126 -11.784 1.00 0.00 H ATOM 381 HE22 GLN A 738 -9.086 3.889 -8.991 1.00 0.00 H ATOM 382 HE21 GLN A 738 -10.702 4.684 -8.939 1.00 0.00 H ATOM 383 H GLN A 738 -7.030 1.694 -10.288 1.00 0.00 H ATOM 384 N VAL A 739 -4.734 3.536 -9.178 1.00 0.00 N ATOM 385 CA VAL A 739 -3.564 3.835 -8.383 1.00 0.00 C ATOM 386 C VAL A 739 -2.348 3.204 -9.025 1.00 0.00 C ATOM 387 O VAL A 739 -1.237 3.691 -8.890 1.00 0.00 O ATOM 388 CB VAL A 739 -3.710 3.277 -6.942 1.00 0.00 C ATOM 389 CG1 VAL A 739 -5.146 2.975 -6.580 1.00 0.00 C ATOM 390 CG2 VAL A 739 -2.839 2.059 -6.766 1.00 0.00 C ATOM 391 HA VAL A 739 -3.454 4.918 -8.333 1.00 0.00 H ATOM 392 HB VAL A 739 -3.376 4.055 -6.255 1.00 0.00 H ATOM 393 HG11 VAL A 739 -5.736 3.889 -6.648 1.00 0.00 H ATOM 394 HG12 VAL A 739 -5.545 2.231 -7.270 1.00 0.00 H ATOM 395 HG13 VAL A 739 -5.189 2.588 -5.562 1.00 0.00 H ATOM 396 HG21 VAL A 739 -3.141 1.292 -7.479 1.00 0.00 H ATOM 397 HG22 VAL A 739 -1.798 2.330 -6.941 1.00 0.00 H ATOM 398 HG23 VAL A 739 -2.951 1.678 -5.751 1.00 0.00 H ATOM 399 H VAL A 739 -5.548 3.083 -8.717 1.00 0.00 H ATOM 400 N LYS A 740 -2.594 2.099 -9.706 1.00 0.00 N ATOM 401 CA LYS A 740 -1.555 1.349 -10.378 1.00 0.00 C ATOM 402 C LYS A 740 -1.264 1.968 -11.726 1.00 0.00 C ATOM 403 O LYS A 740 -0.116 2.018 -12.163 1.00 0.00 O ATOM 404 CB LYS A 740 -1.998 -0.100 -10.525 1.00 0.00 C ATOM 405 CG LYS A 740 -1.143 -0.927 -11.468 1.00 0.00 C ATOM 406 CD LYS A 740 -2.010 -1.792 -12.367 1.00 0.00 C ATOM 407 CE LYS A 740 -1.887 -3.264 -12.010 1.00 0.00 C ATOM 408 NZ LYS A 740 -0.487 -3.750 -12.147 1.00 0.00 N ATOM 409 HA LYS A 740 -0.638 1.376 -9.790 1.00 0.00 H ATOM 410 HB2 LYS A 740 -1.969 -0.567 -9.540 1.00 0.00 H ATOM 411 HB3 LYS A 740 -3.022 -0.107 -10.899 1.00 0.00 H ATOM 412 HG2 LYS A 740 -0.543 -0.258 -12.086 1.00 0.00 H ATOM 413 HG3 LYS A 740 -0.484 -1.568 -10.883 1.00 0.00 H ATOM 414 HD2 LYS A 740 -3.050 -1.486 -12.257 1.00 0.00 H ATOM 415 HD3 LYS A 740 -1.699 -1.651 -13.402 1.00 0.00 H ATOM 416 HE2 LYS A 740 -2.529 -3.843 -12.674 1.00 0.00 H ATOM 417 HE3 LYS A 740 -2.211 -3.406 -10.979 1.00 0.00 H ATOM 418 HZ1 LYS A 740 -0.172 -3.624 -13.130 1.00 0.00 H ATOM 419 HZ2 LYS A 740 0.131 -3.206 -11.512 1.00 0.00 H ATOM 420 HZ3 LYS A 740 -0.445 -4.758 -11.895 1.00 0.00 H ATOM 421 H LYS A 740 -3.574 1.754 -9.761 1.00 0.00 H ATOM 422 N SER A 741 -2.311 2.428 -12.393 1.00 0.00 N ATOM 423 CA SER A 741 -2.141 3.080 -13.674 1.00 0.00 C ATOM 424 C SER A 741 -1.556 4.463 -13.444 1.00 0.00 C ATOM 425 O SER A 741 -1.244 5.194 -14.385 1.00 0.00 O ATOM 426 CB SER A 741 -3.472 3.189 -14.408 1.00 0.00 C ATOM 427 OG SER A 741 -3.290 3.652 -15.735 1.00 0.00 O ATOM 428 HA SER A 741 -1.466 2.488 -14.292 1.00 0.00 H ATOM 429 HB2 SER A 741 -4.117 3.886 -13.873 1.00 0.00 H ATOM 430 HB3 SER A 741 -3.944 2.207 -14.436 1.00 0.00 H ATOM 431 HG SER A 741 -2.865 4.546 -15.716 1.00 0.00 H ATOM 432 H SER A 741 -3.265 2.320 -11.993 1.00 0.00 H ATOM 433 N HIS A 742 -1.416 4.802 -12.166 1.00 0.00 N ATOM 434 CA HIS A 742 -0.882 6.088 -11.755 1.00 0.00 C ATOM 435 C HIS A 742 0.580 6.243 -12.171 1.00 0.00 C ATOM 436 O HIS A 742 1.371 5.305 -12.101 1.00 0.00 O ATOM 437 CB HIS A 742 -1.024 6.252 -10.231 1.00 0.00 C ATOM 438 CG HIS A 742 -0.632 7.608 -9.728 1.00 0.00 C ATOM 439 ND1 HIS A 742 0.306 8.407 -10.341 1.00 0.00 N ATOM 440 CD2 HIS A 742 -1.065 8.308 -8.663 1.00 0.00 C ATOM 441 CE1 HIS A 742 0.435 9.532 -9.680 1.00 0.00 C ATOM 442 NE2 HIS A 742 -0.389 9.504 -8.651 1.00 0.00 N ATOM 443 HA HIS A 742 -1.454 6.869 -12.256 1.00 0.00 H ATOM 444 HB2 HIS A 742 -2.065 6.073 -9.962 1.00 0.00 H ATOM 445 HB3 HIS A 742 -0.392 5.509 -9.745 1.00 0.00 H ATOM 446 HD2 HIS A 742 -1.815 7.985 -7.941 1.00 0.00 H ATOM 447 HE1 HIS A 742 1.108 10.350 -9.937 1.00 0.00 H ATOM 448 H HIS A 742 -1.700 4.121 -11.433 1.00 0.00 H ATOM 449 N GLN A 743 0.909 7.445 -12.625 1.00 0.00 N ATOM 450 CA GLN A 743 2.252 7.810 -13.039 1.00 0.00 C ATOM 451 C GLN A 743 3.277 7.605 -11.910 1.00 0.00 C ATOM 452 O GLN A 743 4.485 7.593 -12.150 1.00 0.00 O ATOM 453 CB GLN A 743 2.216 9.271 -13.476 1.00 0.00 C ATOM 454 CG GLN A 743 3.564 9.936 -13.471 1.00 0.00 C ATOM 455 CD GLN A 743 3.506 11.394 -13.883 1.00 0.00 C ATOM 456 OE1 GLN A 743 2.648 11.795 -14.668 1.00 0.00 O ATOM 457 NE2 GLN A 743 4.422 12.196 -13.352 1.00 0.00 N ATOM 458 HA GLN A 743 2.569 7.167 -13.860 1.00 0.00 H ATOM 459 HB2 GLN A 743 1.812 9.318 -14.487 1.00 0.00 H ATOM 460 HB3 GLN A 743 1.560 9.817 -12.798 1.00 0.00 H ATOM 461 HG2 GLN A 743 3.978 9.875 -12.465 1.00 0.00 H ATOM 462 HG3 GLN A 743 4.217 9.405 -14.164 1.00 0.00 H ATOM 463 HE22 GLN A 743 5.129 11.813 -12.692 1.00 0.00 H ATOM 464 HE21 GLN A 743 4.432 13.207 -13.596 1.00 0.00 H ATOM 465 H GLN A 743 0.163 8.167 -12.688 1.00 0.00 H ATOM 466 N SER A 744 2.785 7.432 -10.687 1.00 0.00 N ATOM 467 CA SER A 744 3.642 7.236 -9.515 1.00 0.00 C ATOM 468 C SER A 744 3.560 5.811 -9.028 1.00 0.00 C ATOM 469 O SER A 744 4.011 5.476 -7.934 1.00 0.00 O ATOM 470 CB SER A 744 3.203 8.175 -8.390 1.00 0.00 C ATOM 471 OG SER A 744 3.809 9.449 -8.518 1.00 0.00 O ATOM 472 HA SER A 744 4.671 7.455 -9.802 1.00 0.00 H ATOM 473 HB2 SER A 744 3.489 7.740 -7.432 1.00 0.00 H ATOM 474 HB3 SER A 744 2.120 8.291 -8.426 1.00 0.00 H ATOM 475 HG SER A 744 4.793 9.350 -8.481 1.00 0.00 H ATOM 476 H SER A 744 1.753 7.436 -10.557 1.00 0.00 H ATOM 477 N ALA A 745 2.968 4.982 -9.846 1.00 0.00 N ATOM 478 CA ALA A 745 2.766 3.599 -9.502 1.00 0.00 C ATOM 479 C ALA A 745 3.744 2.643 -10.160 1.00 0.00 C ATOM 480 O ALA A 745 3.636 1.446 -9.952 1.00 0.00 O ATOM 481 CB ALA A 745 1.350 3.234 -9.884 1.00 0.00 C ATOM 482 HA ALA A 745 2.942 3.496 -8.431 1.00 0.00 H ATOM 483 HB1 ALA A 745 0.652 3.868 -9.336 1.00 0.00 H ATOM 484 HB2 ALA A 745 1.214 3.383 -10.955 1.00 0.00 H ATOM 485 HB3 ALA A 745 1.166 2.189 -9.635 1.00 0.00 H ATOM 486 H ALA A 745 2.635 5.330 -10.768 1.00 0.00 H ATOM 487 N TRP A 746 4.695 3.130 -10.939 1.00 0.00 N ATOM 488 CA TRP A 746 5.607 2.210 -11.607 1.00 0.00 C ATOM 489 C TRP A 746 6.519 1.435 -10.640 1.00 0.00 C ATOM 490 O TRP A 746 6.831 0.275 -10.915 1.00 0.00 O ATOM 491 CB TRP A 746 6.404 2.893 -12.714 1.00 0.00 C ATOM 492 CG TRP A 746 7.063 4.174 -12.327 1.00 0.00 C ATOM 493 CD1 TRP A 746 6.530 5.428 -12.407 1.00 0.00 C ATOM 494 CD2 TRP A 746 8.386 4.328 -11.815 1.00 0.00 C ATOM 495 NE1 TRP A 746 7.458 6.360 -12.000 1.00 0.00 N ATOM 496 CE2 TRP A 746 8.605 5.706 -11.626 1.00 0.00 C ATOM 497 CE3 TRP A 746 9.407 3.429 -11.500 1.00 0.00 C ATOM 498 CZ2 TRP A 746 9.815 6.201 -11.139 1.00 0.00 C ATOM 499 CZ3 TRP A 746 10.596 3.927 -11.012 1.00 0.00 C ATOM 500 CH2 TRP A 746 10.785 5.301 -10.840 1.00 0.00 C ATOM 501 HA TRP A 746 4.970 1.461 -12.077 1.00 0.00 H ATOM 502 HB2 TRP A 746 7.179 2.202 -13.047 1.00 0.00 H ATOM 503 HB3 TRP A 746 5.724 3.100 -13.540 1.00 0.00 H ATOM 504 HE1 TRP A 746 7.314 7.390 -11.979 1.00 0.00 H ATOM 505 HD1 TRP A 746 5.519 5.658 -12.743 1.00 0.00 H ATOM 506 HZ2 TRP A 746 9.975 7.271 -11.004 1.00 0.00 H ATOM 507 HH2 TRP A 746 11.739 5.660 -10.454 1.00 0.00 H ATOM 508 HZ3 TRP A 746 11.401 3.238 -10.756 1.00 0.00 H ATOM 509 HE3 TRP A 746 9.267 2.357 -11.637 1.00 0.00 H ATOM 510 H TRP A 746 4.791 4.157 -11.073 1.00 0.00 H ATOM 511 N PRO A 747 6.975 2.018 -9.504 1.00 0.00 N ATOM 512 CA PRO A 747 7.804 1.273 -8.564 1.00 0.00 C ATOM 513 C PRO A 747 6.978 0.234 -7.841 1.00 0.00 C ATOM 514 O PRO A 747 7.509 -0.645 -7.160 1.00 0.00 O ATOM 515 CB PRO A 747 8.301 2.311 -7.559 1.00 0.00 C ATOM 516 CG PRO A 747 7.736 3.625 -7.964 1.00 0.00 C ATOM 517 CD PRO A 747 6.721 3.392 -9.044 1.00 0.00 C ATOM 518 HA PRO A 747 8.618 0.755 -9.071 1.00 0.00 H ATOM 519 HD3 PRO A 747 5.710 3.485 -8.648 1.00 0.00 H ATOM 520 HD2 PRO A 747 6.857 4.102 -9.860 1.00 0.00 H ATOM 521 HG3 PRO A 747 8.532 4.268 -8.339 1.00 0.00 H ATOM 522 HG2 PRO A 747 7.259 4.101 -7.107 1.00 0.00 H ATOM 523 HB2 PRO A 747 7.962 2.052 -6.556 1.00 0.00 H ATOM 524 HB3 PRO A 747 9.390 2.353 -7.573 1.00 0.00 H ATOM 525 N PHE A 748 5.666 0.347 -8.000 1.00 0.00 N ATOM 526 CA PHE A 748 4.739 -0.550 -7.339 1.00 0.00 C ATOM 527 C PHE A 748 3.934 -1.358 -8.357 1.00 0.00 C ATOM 528 O PHE A 748 3.340 -2.373 -8.017 1.00 0.00 O ATOM 529 CB PHE A 748 3.797 0.250 -6.430 1.00 0.00 C ATOM 530 CG PHE A 748 4.412 1.472 -5.821 1.00 0.00 C ATOM 531 CD1 PHE A 748 5.714 1.463 -5.411 1.00 0.00 C ATOM 532 CD2 PHE A 748 3.688 2.637 -5.682 1.00 0.00 C ATOM 533 CE1 PHE A 748 6.299 2.581 -4.871 1.00 0.00 C ATOM 534 CE2 PHE A 748 4.275 3.768 -5.140 1.00 0.00 C ATOM 535 CZ PHE A 748 5.576 3.734 -4.738 1.00 0.00 C ATOM 536 HA PHE A 748 5.313 -1.251 -6.733 1.00 0.00 H ATOM 537 HB2 PHE A 748 2.935 0.560 -7.021 1.00 0.00 H ATOM 538 HB3 PHE A 748 3.466 -0.403 -5.623 1.00 0.00 H ATOM 539 HD2 PHE A 748 2.646 2.668 -6.001 1.00 0.00 H ATOM 540 HE2 PHE A 748 3.696 4.685 -5.035 1.00 0.00 H ATOM 541 HZ PHE A 748 6.040 4.624 -4.311 1.00 0.00 H ATOM 542 HE1 PHE A 748 7.340 2.550 -4.548 1.00 0.00 H ATOM 543 HD1 PHE A 748 6.301 0.550 -5.514 1.00 0.00 H ATOM 544 H PHE A 748 5.293 1.098 -8.615 1.00 0.00 H ATOM 545 N MET A 749 3.934 -0.907 -9.615 1.00 0.00 N ATOM 546 CA MET A 749 3.163 -1.565 -10.674 1.00 0.00 C ATOM 547 C MET A 749 3.349 -3.065 -10.618 1.00 0.00 C ATOM 548 O MET A 749 2.434 -3.840 -10.894 1.00 0.00 O ATOM 549 CB MET A 749 3.556 -1.022 -12.037 1.00 0.00 C ATOM 550 CG MET A 749 2.644 0.098 -12.441 1.00 0.00 C ATOM 551 SD MET A 749 3.278 1.132 -13.757 1.00 0.00 S ATOM 552 CE MET A 749 2.531 2.650 -13.205 1.00 0.00 C ATOM 553 HA MET A 749 2.107 -1.349 -10.513 1.00 0.00 H ATOM 554 HB2 MET A 749 4.581 -0.653 -11.994 1.00 0.00 H ATOM 555 HB3 MET A 749 3.490 -1.822 -12.774 1.00 0.00 H ATOM 556 HG2 MET A 749 2.469 0.727 -11.568 1.00 0.00 H ATOM 557 HG3 MET A 749 1.699 -0.334 -12.772 1.00 0.00 H ATOM 558 HE1 MET A 749 1.448 2.533 -13.182 1.00 0.00 H ATOM 559 HE2 MET A 749 2.893 2.889 -12.205 1.00 0.00 H ATOM 560 HE3 MET A 749 2.796 3.454 -13.891 1.00 0.00 H ATOM 561 H MET A 749 4.497 -0.065 -9.849 1.00 0.00 H ATOM 562 N GLU A 750 4.555 -3.447 -10.261 1.00 0.00 N ATOM 563 CA GLU A 750 4.927 -4.830 -10.112 1.00 0.00 C ATOM 564 C GLU A 750 6.033 -4.931 -9.086 1.00 0.00 C ATOM 565 O GLU A 750 6.812 -3.995 -8.908 1.00 0.00 O ATOM 566 CB GLU A 750 5.334 -5.432 -11.445 1.00 0.00 C ATOM 567 CG GLU A 750 6.647 -6.177 -11.405 1.00 0.00 C ATOM 568 CD GLU A 750 6.888 -7.017 -12.643 1.00 0.00 C ATOM 569 OE1 GLU A 750 7.481 -6.495 -13.610 1.00 0.00 O ATOM 570 OE2 GLU A 750 6.485 -8.200 -12.645 1.00 0.00 O ATOM 571 HA GLU A 750 4.070 -5.405 -9.762 1.00 0.00 H ATOM 572 HB2 GLU A 750 4.555 -6.126 -11.761 1.00 0.00 H ATOM 573 HB3 GLU A 750 5.418 -4.626 -12.174 1.00 0.00 H ATOM 574 HG2 GLU A 750 7.456 -5.452 -11.314 1.00 0.00 H ATOM 575 HG3 GLU A 750 6.649 -6.833 -10.534 1.00 0.00 H ATOM 576 H GLU A 750 5.273 -2.717 -10.078 1.00 0.00 H ATOM 577 N PRO A 751 6.122 -6.067 -8.394 1.00 0.00 N ATOM 578 CA PRO A 751 7.123 -6.261 -7.360 1.00 0.00 C ATOM 579 C PRO A 751 8.518 -6.157 -7.911 1.00 0.00 C ATOM 580 O PRO A 751 8.790 -6.545 -9.047 1.00 0.00 O ATOM 581 CB PRO A 751 6.838 -7.650 -6.822 1.00 0.00 C ATOM 582 CG PRO A 751 5.444 -7.916 -7.237 1.00 0.00 C ATOM 583 CD PRO A 751 5.301 -7.264 -8.577 1.00 0.00 C ATOM 584 HA PRO A 751 7.069 -5.497 -6.585 1.00 0.00 H ATOM 585 HD3 PRO A 751 5.689 -7.898 -9.374 1.00 0.00 H ATOM 586 HD2 PRO A 751 4.263 -7.009 -8.790 1.00 0.00 H ATOM 587 HG3 PRO A 751 4.743 -7.482 -6.524 1.00 0.00 H ATOM 588 HG2 PRO A 751 5.266 -8.989 -7.313 1.00 0.00 H ATOM 589 HB2 PRO A 751 7.518 -8.382 -7.258 1.00 0.00 H ATOM 590 HB3 PRO A 751 6.930 -7.672 -5.736 1.00 0.00 H ATOM 591 N VAL A 752 9.396 -5.629 -7.092 1.00 0.00 N ATOM 592 CA VAL A 752 10.772 -5.436 -7.490 1.00 0.00 C ATOM 593 C VAL A 752 11.466 -6.783 -7.633 1.00 0.00 C ATOM 594 O VAL A 752 10.874 -7.826 -7.355 1.00 0.00 O ATOM 595 CB VAL A 752 11.515 -4.485 -6.517 1.00 0.00 C ATOM 596 CG1 VAL A 752 10.538 -3.780 -5.612 1.00 0.00 C ATOM 597 CG2 VAL A 752 12.588 -5.181 -5.694 1.00 0.00 C ATOM 598 HA VAL A 752 10.792 -4.948 -8.464 1.00 0.00 H ATOM 599 HB VAL A 752 12.027 -3.753 -7.141 1.00 0.00 H ATOM 600 HG11 VAL A 752 9.843 -3.196 -6.215 1.00 0.00 H ATOM 601 HG12 VAL A 752 9.985 -4.518 -5.031 1.00 0.00 H ATOM 602 HG13 VAL A 752 11.082 -3.118 -4.938 1.00 0.00 H ATOM 603 HG21 VAL A 752 12.131 -5.970 -5.097 1.00 0.00 H ATOM 604 HG22 VAL A 752 13.333 -5.614 -6.362 1.00 0.00 H ATOM 605 HG23 VAL A 752 13.067 -4.456 -5.036 1.00 0.00 H ATOM 606 H VAL A 752 9.096 -5.344 -6.138 1.00 0.00 H ATOM 607 N LYS A 753 12.714 -6.761 -8.060 1.00 0.00 N ATOM 608 CA LYS A 753 13.461 -7.998 -8.286 1.00 0.00 C ATOM 609 C LYS A 753 13.863 -8.662 -6.982 1.00 0.00 C ATOM 610 O LYS A 753 14.648 -9.612 -6.984 1.00 0.00 O ATOM 611 CB LYS A 753 14.721 -7.708 -9.092 1.00 0.00 C ATOM 612 CG LYS A 753 14.466 -6.880 -10.334 1.00 0.00 C ATOM 613 CD LYS A 753 14.120 -7.747 -11.530 1.00 0.00 C ATOM 614 CE LYS A 753 14.180 -6.944 -12.815 1.00 0.00 C ATOM 615 NZ LYS A 753 14.034 -7.806 -14.020 1.00 0.00 N ATOM 616 HA LYS A 753 12.804 -8.674 -8.834 1.00 0.00 H ATOM 617 HB2 LYS A 753 15.422 -7.168 -8.455 1.00 0.00 H ATOM 618 HB3 LYS A 753 15.164 -8.657 -9.394 1.00 0.00 H ATOM 619 HG2 LYS A 753 13.637 -6.199 -10.140 1.00 0.00 H ATOM 620 HG3 LYS A 753 15.362 -6.303 -10.564 1.00 0.00 H ATOM 621 HD2 LYS A 753 14.830 -8.572 -11.591 1.00 0.00 H ATOM 622 HD3 LYS A 753 13.113 -8.145 -11.404 1.00 0.00 H ATOM 623 HE2 LYS A 753 15.140 -6.430 -12.864 1.00 0.00 H ATOM 624 HE3 LYS A 753 13.375 -6.209 -12.809 1.00 0.00 H ATOM 625 HZ1 LYS A 753 14.802 -8.507 -14.039 1.00 0.00 H ATOM 626 HZ2 LYS A 753 13.117 -8.296 -13.985 1.00 0.00 H ATOM 627 HZ3 LYS A 753 14.081 -7.216 -14.875 1.00 0.00 H ATOM 628 H LYS A 753 13.176 -5.846 -8.239 1.00 0.00 H ATOM 629 N ARG A 754 13.328 -8.160 -5.875 1.00 0.00 N ATOM 630 CA ARG A 754 13.675 -8.663 -4.551 1.00 0.00 C ATOM 631 C ARG A 754 15.109 -8.280 -4.233 1.00 0.00 C ATOM 632 O ARG A 754 15.518 -8.250 -3.072 1.00 0.00 O ATOM 633 CB ARG A 754 13.506 -10.179 -4.456 1.00 0.00 C ATOM 634 CG ARG A 754 13.641 -10.717 -3.040 1.00 0.00 C ATOM 635 CD ARG A 754 13.439 -12.223 -2.996 1.00 0.00 C ATOM 636 NE ARG A 754 13.660 -12.767 -1.659 1.00 0.00 N ATOM 637 CZ ARG A 754 13.846 -14.061 -1.410 1.00 0.00 C ATOM 638 NH1 ARG A 754 13.841 -14.938 -2.404 1.00 0.00 N ATOM 639 NH2 ARG A 754 14.037 -14.477 -0.166 1.00 0.00 N ATOM 640 HA ARG A 754 12.996 -8.214 -3.826 1.00 0.00 H ATOM 641 HB2 ARG A 754 12.517 -10.440 -4.832 1.00 0.00 H ATOM 642 HB3 ARG A 754 14.266 -10.651 -5.079 1.00 0.00 H ATOM 643 HG2 ARG A 754 14.637 -10.482 -2.665 1.00 0.00 H ATOM 644 HG3 ARG A 754 12.893 -10.240 -2.407 1.00 0.00 H ATOM 645 HD2 ARG A 754 14.139 -12.692 -3.687 1.00 0.00 H ATOM 646 HD3 ARG A 754 12.419 -12.450 -3.304 1.00 0.00 H ATOM 647 HE ARG A 754 13.673 -12.106 -0.856 1.00 0.00 H ATOM 648 HH12 ARG A 754 13.987 -15.949 -2.207 1.00 0.00 H ATOM 649 HH11 ARG A 754 13.691 -14.615 -3.381 1.00 0.00 H ATOM 650 HH22 ARG A 754 14.182 -15.488 0.028 1.00 0.00 H ATOM 651 HH21 ARG A 754 14.042 -13.792 0.616 1.00 0.00 H ATOM 652 H ARG A 754 12.640 -7.384 -5.955 1.00 0.00 H ATOM 653 N THR A 755 15.868 -7.984 -5.286 1.00 0.00 N ATOM 654 CA THR A 755 17.249 -7.593 -5.147 1.00 0.00 C ATOM 655 C THR A 755 17.524 -6.336 -5.960 1.00 0.00 C ATOM 656 O THR A 755 18.624 -5.784 -5.925 1.00 0.00 O ATOM 657 CB THR A 755 18.205 -8.714 -5.557 1.00 0.00 C ATOM 658 OG1 THR A 755 18.261 -8.827 -6.984 1.00 0.00 O ATOM 659 CG2 THR A 755 17.749 -10.030 -4.951 1.00 0.00 C ATOM 660 HA THR A 755 17.427 -7.384 -4.092 1.00 0.00 H ATOM 661 HB THR A 755 19.202 -8.475 -5.187 1.00 0.00 H ATOM 662 HG1 THR A 755 18.883 -9.556 -7.232 1.00 0.00 H ATOM 663 HG23 THR A 755 17.709 -9.935 -3.866 1.00 0.00 H ATOM 664 HG21 THR A 755 16.759 -10.280 -5.331 1.00 0.00 H ATOM 665 HG22 THR A 755 18.453 -10.817 -5.222 1.00 0.00 H ATOM 666 H THR A 755 15.452 -8.036 -6.238 1.00 0.00 H ATOM 667 N GLU A 756 16.504 -5.900 -6.699 1.00 0.00 N ATOM 668 CA GLU A 756 16.558 -4.684 -7.451 1.00 0.00 C ATOM 669 C GLU A 756 16.764 -3.659 -6.416 1.00 0.00 C ATOM 670 O GLU A 756 17.504 -2.682 -6.527 1.00 0.00 O ATOM 671 CB GLU A 756 15.192 -4.498 -8.021 1.00 0.00 C ATOM 672 CG GLU A 756 15.081 -3.435 -9.024 1.00 0.00 C ATOM 673 CD GLU A 756 15.725 -3.788 -10.351 1.00 0.00 C ATOM 674 OE1 GLU A 756 16.968 -3.715 -10.446 1.00 0.00 O ATOM 675 OE2 GLU A 756 14.986 -4.136 -11.295 1.00 0.00 O ATOM 676 HA GLU A 756 17.313 -4.658 -8.237 1.00 0.00 H ATOM 677 HB2 GLU A 756 14.888 -5.436 -8.486 1.00 0.00 H ATOM 678 HB3 GLU A 756 14.512 -4.263 -7.202 1.00 0.00 H ATOM 679 HG2 GLU A 756 14.024 -3.231 -9.196 1.00 0.00 H ATOM 680 HG3 GLU A 756 15.564 -2.539 -8.633 1.00 0.00 H ATOM 681 H GLU A 756 15.633 -6.467 -6.730 1.00 0.00 H ATOM 682 N ALA A 757 16.036 -3.987 -5.387 1.00 0.00 N ATOM 683 CA ALA A 757 15.969 -3.287 -4.182 1.00 0.00 C ATOM 684 C ALA A 757 16.856 -3.991 -3.181 1.00 0.00 C ATOM 685 O ALA A 757 16.538 -5.056 -2.660 1.00 0.00 O ATOM 686 CB ALA A 757 14.546 -3.283 -3.784 1.00 0.00 C ATOM 687 HA ALA A 757 16.319 -2.257 -4.255 1.00 0.00 H ATOM 688 HB1 ALA A 757 13.955 -2.791 -4.557 1.00 0.00 H ATOM 689 HB2 ALA A 757 14.202 -4.310 -3.661 1.00 0.00 H ATOM 690 HB3 ALA A 757 14.435 -2.745 -2.842 1.00 0.00 H ATOM 691 H ALA A 757 15.454 -4.845 -5.471 1.00 0.00 H ATOM 692 N PRO A 758 18.001 -3.397 -2.953 1.00 0.00 N ATOM 693 CA PRO A 758 19.020 -3.931 -2.061 1.00 0.00 C ATOM 694 C PRO A 758 18.573 -3.955 -0.608 1.00 0.00 C ATOM 695 O PRO A 758 18.429 -2.915 0.034 1.00 0.00 O ATOM 696 CB PRO A 758 20.200 -2.985 -2.284 1.00 0.00 C ATOM 697 CG PRO A 758 19.594 -1.721 -2.802 1.00 0.00 C ATOM 698 CD PRO A 758 18.364 -2.116 -3.548 1.00 0.00 C ATOM 699 HA PRO A 758 19.259 -4.973 -2.273 1.00 0.00 H ATOM 700 HD3 PRO A 758 17.570 -1.382 -3.408 1.00 0.00 H ATOM 701 HD2 PRO A 758 18.572 -2.225 -4.612 1.00 0.00 H ATOM 702 HG3 PRO A 758 20.292 -1.214 -3.468 1.00 0.00 H ATOM 703 HG2 PRO A 758 19.337 -1.060 -1.975 1.00 0.00 H ATOM 704 HB2 PRO A 758 20.726 -2.802 -1.347 1.00 0.00 H ATOM 705 HB3 PRO A 758 20.894 -3.404 -3.013 1.00 0.00 H ATOM 706 N GLY A 759 18.374 -5.163 -0.093 1.00 0.00 N ATOM 707 CA GLY A 759 17.912 -5.320 1.268 1.00 0.00 C ATOM 708 C GLY A 759 16.418 -5.117 1.345 1.00 0.00 C ATOM 709 O GLY A 759 15.845 -5.051 2.424 1.00 0.00 O ATOM 710 HA3 GLY A 759 18.407 -4.585 1.903 1.00 0.00 H ATOM 711 HA2 GLY A 759 18.157 -6.323 1.617 1.00 0.00 H ATOM 712 H GLY A 759 18.553 -6.006 -0.676 1.00 0.00 H ATOM 713 N TYR A 760 15.799 -5.028 0.170 1.00 0.00 N ATOM 714 CA TYR A 760 14.363 -4.820 0.030 1.00 0.00 C ATOM 715 C TYR A 760 13.529 -5.641 1.002 1.00 0.00 C ATOM 716 O TYR A 760 12.733 -5.105 1.753 1.00 0.00 O ATOM 717 CB TYR A 760 14.018 -5.192 -1.401 1.00 0.00 C ATOM 718 CG TYR A 760 12.582 -5.045 -1.816 1.00 0.00 C ATOM 719 CD1 TYR A 760 11.822 -4.002 -1.365 1.00 0.00 C ATOM 720 CD2 TYR A 760 12.004 -5.941 -2.694 1.00 0.00 C ATOM 721 CE1 TYR A 760 10.524 -3.842 -1.765 1.00 0.00 C ATOM 722 CE2 TYR A 760 10.694 -5.793 -3.103 1.00 0.00 C ATOM 723 CZ TYR A 760 9.958 -4.738 -2.634 1.00 0.00 C ATOM 724 OH TYR A 760 8.653 -4.576 -3.037 1.00 0.00 O ATOM 725 HA TYR A 760 14.128 -3.781 0.262 1.00 0.00 H ATOM 726 HB3 TYR A 760 14.298 -6.235 -1.546 1.00 0.00 H ATOM 727 HB2 TYR A 760 14.617 -4.562 -2.058 1.00 0.00 H ATOM 728 HD2 TYR A 760 12.592 -6.778 -3.070 1.00 0.00 H ATOM 729 HE2 TYR A 760 10.249 -6.510 -3.793 1.00 0.00 H ATOM 730 HE1 TYR A 760 9.939 -3.001 -1.392 1.00 0.00 H ATOM 731 HD1 TYR A 760 12.260 -3.283 -0.672 1.00 0.00 H ATOM 732 HH TYR A 760 8.273 -3.770 -2.606 1.00 0.00 H ATOM 733 H TYR A 760 16.371 -5.111 -0.695 1.00 0.00 H ATOM 734 N TYR A 761 13.692 -6.938 0.962 1.00 0.00 N ATOM 735 CA TYR A 761 12.924 -7.821 1.832 1.00 0.00 C ATOM 736 C TYR A 761 13.332 -7.718 3.295 1.00 0.00 C ATOM 737 O TYR A 761 12.597 -8.150 4.184 1.00 0.00 O ATOM 738 CB TYR A 761 12.995 -9.250 1.317 1.00 0.00 C ATOM 739 CG TYR A 761 11.933 -9.498 0.279 1.00 0.00 C ATOM 740 CD1 TYR A 761 11.683 -8.530 -0.673 1.00 0.00 C ATOM 741 CD2 TYR A 761 11.150 -10.644 0.279 1.00 0.00 C ATOM 742 CE1 TYR A 761 10.689 -8.682 -1.610 1.00 0.00 C ATOM 743 CE2 TYR A 761 10.152 -10.817 -0.666 1.00 0.00 C ATOM 744 CZ TYR A 761 9.925 -9.831 -1.608 1.00 0.00 C ATOM 745 OH TYR A 761 8.927 -9.991 -2.543 1.00 0.00 O ATOM 746 HA TYR A 761 11.885 -7.492 1.800 1.00 0.00 H ATOM 747 HB3 TYR A 761 12.849 -9.938 2.150 1.00 0.00 H ATOM 748 HB2 TYR A 761 13.976 -9.422 0.873 1.00 0.00 H ATOM 749 HD2 TYR A 761 11.322 -11.415 1.030 1.00 0.00 H ATOM 750 HE2 TYR A 761 9.549 -11.725 -0.667 1.00 0.00 H ATOM 751 HE1 TYR A 761 10.506 -7.901 -2.348 1.00 0.00 H ATOM 752 HD1 TYR A 761 12.288 -7.624 -0.682 1.00 0.00 H ATOM 753 HH TYR A 761 8.901 -9.198 -3.135 1.00 0.00 H ATOM 754 H TYR A 761 14.381 -7.347 0.299 1.00 0.00 H ATOM 755 N GLU A 762 14.495 -7.147 3.541 1.00 0.00 N ATOM 756 CA GLU A 762 14.988 -6.970 4.902 1.00 0.00 C ATOM 757 C GLU A 762 14.389 -5.693 5.495 1.00 0.00 C ATOM 758 O GLU A 762 13.847 -5.681 6.600 1.00 0.00 O ATOM 759 CB GLU A 762 16.520 -6.896 4.885 1.00 0.00 C ATOM 760 CG GLU A 762 17.085 -5.607 5.458 1.00 0.00 C ATOM 761 CD GLU A 762 18.545 -5.727 5.848 1.00 0.00 C ATOM 762 OE1 GLU A 762 18.822 -6.202 6.970 1.00 0.00 O ATOM 763 OE2 GLU A 762 19.412 -5.349 5.033 1.00 0.00 O ATOM 764 HA GLU A 762 14.689 -7.816 5.521 1.00 0.00 H ATOM 765 HB2 GLU A 762 16.910 -7.730 5.468 1.00 0.00 H ATOM 766 HB3 GLU A 762 16.856 -6.988 3.852 1.00 0.00 H ATOM 767 HG2 GLU A 762 16.988 -4.821 4.709 1.00 0.00 H ATOM 768 HG3 GLU A 762 16.509 -5.337 6.343 1.00 0.00 H ATOM 769 H GLU A 762 15.075 -6.815 2.744 1.00 0.00 H ATOM 770 N VAL A 763 14.509 -4.630 4.718 1.00 0.00 N ATOM 771 CA VAL A 763 14.007 -3.311 5.058 1.00 0.00 C ATOM 772 C VAL A 763 12.501 -3.302 5.024 1.00 0.00 C ATOM 773 O VAL A 763 11.838 -2.666 5.844 1.00 0.00 O ATOM 774 CB VAL A 763 14.514 -2.290 4.024 1.00 0.00 C ATOM 775 CG1 VAL A 763 14.124 -2.710 2.645 1.00 0.00 C ATOM 776 CG2 VAL A 763 13.920 -0.941 4.215 1.00 0.00 C ATOM 777 HA VAL A 763 14.356 -3.053 6.058 1.00 0.00 H ATOM 778 HB VAL A 763 15.595 -2.250 4.158 1.00 0.00 H ATOM 779 HG11 VAL A 763 14.560 -3.685 2.426 1.00 0.00 H ATOM 780 HG12 VAL A 763 13.038 -2.774 2.579 1.00 0.00 H ATOM 781 HG13 VAL A 763 14.490 -1.977 1.926 1.00 0.00 H ATOM 782 HG21 VAL A 763 12.836 -1.006 4.119 1.00 0.00 H ATOM 783 HG22 VAL A 763 14.177 -0.570 5.207 1.00 0.00 H ATOM 784 HG23 VAL A 763 14.313 -0.262 3.458 1.00 0.00 H ATOM 785 H VAL A 763 14.994 -4.746 3.805 1.00 0.00 H ATOM 786 N ILE A 764 11.979 -4.022 4.058 1.00 0.00 N ATOM 787 CA ILE A 764 10.563 -4.103 3.857 1.00 0.00 C ATOM 788 C ILE A 764 9.983 -5.380 4.411 1.00 0.00 C ATOM 789 O ILE A 764 9.894 -6.387 3.712 1.00 0.00 O ATOM 790 CB ILE A 764 10.215 -4.045 2.394 1.00 0.00 C ATOM 791 CG1 ILE A 764 10.924 -2.890 1.713 1.00 0.00 C ATOM 792 CG2 ILE A 764 8.739 -3.885 2.263 1.00 0.00 C ATOM 793 CD1 ILE A 764 10.237 -1.554 1.844 1.00 0.00 C ATOM 794 HA ILE A 764 10.139 -3.249 4.385 1.00 0.00 H ATOM 795 HB ILE A 764 10.539 -4.967 1.911 1.00 0.00 H ATOM 796 HG12 ILE A 764 11.920 -2.802 2.146 1.00 0.00 H ATOM 797 HG13 ILE A 764 11.010 -3.124 0.652 1.00 0.00 H ATOM 798 HD11 ILE A 764 9.242 -1.614 1.403 1.00 0.00 H ATOM 799 HD12 ILE A 764 10.153 -1.292 2.899 1.00 0.00 H ATOM 800 HD13 ILE A 764 10.821 -0.794 1.324 1.00 0.00 H ATOM 801 HG21 ILE A 764 8.240 -4.734 2.731 1.00 0.00 H ATOM 802 HG22 ILE A 764 8.430 -2.963 2.756 1.00 0.00 H ATOM 803 HG23 ILE A 764 8.472 -3.841 1.207 1.00 0.00 H ATOM 804 H ILE A 764 12.611 -4.548 3.421 1.00 0.00 H ATOM 805 N ARG A 765 9.629 -5.347 5.673 1.00 0.00 N ATOM 806 CA ARG A 765 9.009 -6.494 6.306 1.00 0.00 C ATOM 807 C ARG A 765 7.871 -7.037 5.437 1.00 0.00 C ATOM 808 O ARG A 765 7.665 -8.249 5.359 1.00 0.00 O ATOM 809 CB ARG A 765 8.472 -6.097 7.667 1.00 0.00 C ATOM 810 CG ARG A 765 8.682 -7.138 8.748 1.00 0.00 C ATOM 811 CD ARG A 765 8.109 -8.485 8.356 1.00 0.00 C ATOM 812 NE ARG A 765 9.116 -9.360 7.762 1.00 0.00 N ATOM 813 CZ ARG A 765 8.932 -10.660 7.556 1.00 0.00 C ATOM 814 NH1 ARG A 765 7.784 -11.234 7.896 1.00 0.00 N ATOM 815 NH2 ARG A 765 9.896 -11.390 7.011 1.00 0.00 N ATOM 816 HA ARG A 765 9.759 -7.276 6.425 1.00 0.00 H ATOM 817 HB2 ARG A 765 8.970 -5.178 7.976 1.00 0.00 H ATOM 818 HB3 ARG A 765 7.402 -5.914 7.572 1.00 0.00 H ATOM 819 HG2 ARG A 765 9.751 -7.249 8.928 1.00 0.00 H ATOM 820 HG3 ARG A 765 8.194 -6.800 9.662 1.00 0.00 H ATOM 821 HD2 ARG A 765 7.308 -8.329 7.633 1.00 0.00 H ATOM 822 HD3 ARG A 765 7.705 -8.968 9.246 1.00 0.00 H ATOM 823 HE ARG A 765 10.027 -8.943 7.485 1.00 0.00 H ATOM 824 HH12 ARG A 765 7.643 -12.252 7.733 1.00 0.00 H ATOM 825 HH11 ARG A 765 7.026 -10.666 8.325 1.00 0.00 H ATOM 826 HH22 ARG A 765 9.750 -12.407 6.850 1.00 0.00 H ATOM 827 HH21 ARG A 765 10.797 -10.945 6.744 1.00 0.00 H ATOM 828 H ARG A 765 9.796 -4.484 6.229 1.00 0.00 H ATOM 829 N PHE A 766 7.134 -6.133 4.780 1.00 0.00 N ATOM 830 CA PHE A 766 6.007 -6.542 3.928 1.00 0.00 C ATOM 831 C PHE A 766 5.971 -5.805 2.575 1.00 0.00 C ATOM 832 O PHE A 766 5.199 -4.862 2.404 1.00 0.00 O ATOM 833 CB PHE A 766 4.675 -6.309 4.650 1.00 0.00 C ATOM 834 CG PHE A 766 4.800 -5.973 6.107 1.00 0.00 C ATOM 835 CD1 PHE A 766 5.185 -6.936 7.015 1.00 0.00 C ATOM 836 CD2 PHE A 766 4.511 -4.699 6.569 1.00 0.00 C ATOM 837 CE1 PHE A 766 5.285 -6.643 8.359 1.00 0.00 C ATOM 838 CE2 PHE A 766 4.612 -4.394 7.911 1.00 0.00 C ATOM 839 CZ PHE A 766 4.999 -5.368 8.809 1.00 0.00 C ATOM 840 HA PHE A 766 6.154 -7.603 3.727 1.00 0.00 H ATOM 841 HB2 PHE A 766 4.160 -5.486 4.155 1.00 0.00 H ATOM 842 HB3 PHE A 766 4.077 -7.216 4.561 1.00 0.00 H ATOM 843 HD2 PHE A 766 4.200 -3.928 5.864 1.00 0.00 H ATOM 844 HE2 PHE A 766 4.387 -3.387 8.261 1.00 0.00 H ATOM 845 HZ PHE A 766 5.079 -5.132 9.870 1.00 0.00 H ATOM 846 HE1 PHE A 766 5.589 -7.416 9.065 1.00 0.00 H ATOM 847 HD1 PHE A 766 5.414 -7.943 6.666 1.00 0.00 H ATOM 848 H PHE A 766 7.363 -5.123 4.874 1.00 0.00 H ATOM 849 N PRO A 767 6.807 -6.216 1.597 1.00 0.00 N ATOM 850 CA PRO A 767 6.834 -5.597 0.267 1.00 0.00 C ATOM 851 C PRO A 767 5.624 -5.940 -0.598 1.00 0.00 C ATOM 852 O PRO A 767 5.565 -7.004 -1.213 1.00 0.00 O ATOM 853 CB PRO A 767 8.129 -6.120 -0.367 1.00 0.00 C ATOM 854 CG PRO A 767 8.857 -6.814 0.711 1.00 0.00 C ATOM 855 CD PRO A 767 7.842 -7.236 1.732 1.00 0.00 C ATOM 856 HA PRO A 767 6.797 -4.511 0.348 1.00 0.00 H ATOM 857 HD3 PRO A 767 7.448 -8.228 1.509 1.00 0.00 H ATOM 858 HD2 PRO A 767 8.269 -7.233 2.735 1.00 0.00 H ATOM 859 HG3 PRO A 767 9.585 -6.141 1.164 1.00 0.00 H ATOM 860 HG2 PRO A 767 9.371 -7.688 0.312 1.00 0.00 H ATOM 861 HB2 PRO A 767 7.902 -6.812 -1.178 1.00 0.00 H ATOM 862 HB3 PRO A 767 8.723 -5.292 -0.754 1.00 0.00 H ATOM 863 N MET A 768 4.661 -5.020 -0.633 1.00 0.00 N ATOM 864 CA MET A 768 3.456 -5.187 -1.437 1.00 0.00 C ATOM 865 C MET A 768 3.486 -4.234 -2.613 1.00 0.00 C ATOM 866 O MET A 768 4.060 -3.150 -2.538 1.00 0.00 O ATOM 867 CB MET A 768 2.200 -4.982 -0.589 1.00 0.00 C ATOM 868 CG MET A 768 0.951 -4.589 -1.379 1.00 0.00 C ATOM 869 SD MET A 768 0.212 -5.934 -2.311 1.00 0.00 S ATOM 870 CE MET A 768 0.113 -7.121 -1.003 1.00 0.00 C ATOM 871 HA MET A 768 3.427 -6.207 -1.819 1.00 0.00 H ATOM 872 HB2 MET A 768 1.990 -5.913 -0.063 1.00 0.00 H ATOM 873 HB3 MET A 768 2.405 -4.194 0.136 1.00 0.00 H ATOM 874 HG2 MET A 768 1.224 -3.798 -2.078 1.00 0.00 H ATOM 875 HG3 MET A 768 0.208 -4.211 -0.677 1.00 0.00 H ATOM 876 HE1 MET A 768 1.114 -7.324 -0.622 1.00 0.00 H ATOM 877 HE2 MET A 768 -0.509 -6.724 -0.201 1.00 0.00 H ATOM 878 HE3 MET A 768 -0.326 -8.043 -1.383 1.00 0.00 H ATOM 879 H MET A 768 4.772 -4.154 -0.068 1.00 0.00 H ATOM 880 N ASP A 769 2.879 -4.657 -3.704 1.00 0.00 N ATOM 881 CA ASP A 769 2.845 -3.864 -4.911 1.00 0.00 C ATOM 882 C ASP A 769 1.433 -3.784 -5.466 1.00 0.00 C ATOM 883 O ASP A 769 0.506 -4.343 -4.891 1.00 0.00 O ATOM 884 CB ASP A 769 3.790 -4.481 -5.940 1.00 0.00 C ATOM 885 CG ASP A 769 5.243 -4.167 -5.649 1.00 0.00 C ATOM 886 OD1 ASP A 769 5.807 -4.778 -4.717 1.00 0.00 O ATOM 887 OD2 ASP A 769 5.820 -3.312 -6.351 1.00 0.00 O ATOM 888 HA ASP A 769 3.169 -2.849 -4.681 1.00 0.00 H ATOM 889 HB2 ASP A 769 3.657 -5.563 -5.934 1.00 0.00 H ATOM 890 HB3 ASP A 769 3.538 -4.091 -6.926 1.00 0.00 H ATOM 891 H ASP A 769 2.412 -5.586 -3.696 1.00 0.00 H ATOM 892 N LEU A 770 1.270 -3.052 -6.559 1.00 0.00 N ATOM 893 CA LEU A 770 -0.029 -2.920 -7.204 1.00 0.00 C ATOM 894 C LEU A 770 -0.387 -4.188 -7.945 1.00 0.00 C ATOM 895 O LEU A 770 -1.559 -4.484 -8.138 1.00 0.00 O ATOM 896 CB LEU A 770 -0.046 -1.720 -8.134 1.00 0.00 C ATOM 897 CG LEU A 770 0.677 -0.533 -7.577 1.00 0.00 C ATOM 898 CD1 LEU A 770 1.304 0.224 -8.694 1.00 0.00 C ATOM 899 CD2 LEU A 770 -0.265 0.355 -6.821 1.00 0.00 C ATOM 900 HA LEU A 770 -0.782 -2.757 -6.433 1.00 0.00 H ATOM 901 HB2 LEU A 770 0.426 -2.004 -9.075 1.00 0.00 H ATOM 902 HB3 LEU A 770 -1.083 -1.439 -8.319 1.00 0.00 H ATOM 903 HG LEU A 770 1.447 -0.877 -6.887 1.00 0.00 H ATOM 904 HD21 LEU A 770 -1.051 0.703 -7.491 1.00 0.00 H ATOM 905 HD22 LEU A 770 -0.709 -0.205 -5.998 1.00 0.00 H ATOM 906 HD23 LEU A 770 0.283 1.211 -6.426 1.00 0.00 H ATOM 907 HD11 LEU A 770 2.008 -0.422 -9.219 1.00 0.00 H ATOM 908 HD12 LEU A 770 0.530 0.557 -9.385 1.00 0.00 H ATOM 909 HD13 LEU A 770 1.832 1.089 -8.293 1.00 0.00 H ATOM 910 H LEU A 770 2.090 -2.560 -6.966 1.00 0.00 H ATOM 911 N LYS A 771 0.623 -4.915 -8.414 1.00 0.00 N ATOM 912 CA LYS A 771 0.362 -6.187 -9.060 1.00 0.00 C ATOM 913 C LYS A 771 0.040 -7.197 -7.986 1.00 0.00 C ATOM 914 O LYS A 771 -0.833 -8.039 -8.156 1.00 0.00 O ATOM 915 CB LYS A 771 1.534 -6.687 -9.882 1.00 0.00 C ATOM 916 CG LYS A 771 1.085 -7.604 -10.998 1.00 0.00 C ATOM 917 CD LYS A 771 0.909 -6.830 -12.286 1.00 0.00 C ATOM 918 CE LYS A 771 0.097 -7.615 -13.295 1.00 0.00 C ATOM 919 NZ LYS A 771 -0.168 -6.830 -14.533 1.00 0.00 N ATOM 920 HA LYS A 771 -0.469 -6.050 -9.751 1.00 0.00 H ATOM 921 HB2 LYS A 771 2.053 -5.832 -10.315 1.00 0.00 H ATOM 922 HB3 LYS A 771 2.216 -7.232 -9.230 1.00 0.00 H ATOM 923 HG2 LYS A 771 1.835 -8.381 -11.147 1.00 0.00 H ATOM 924 HG3 LYS A 771 0.136 -8.064 -10.724 1.00 0.00 H ATOM 925 HD2 LYS A 771 0.396 -5.893 -12.070 1.00 0.00 H ATOM 926 HD3 LYS A 771 1.891 -6.617 -12.709 1.00 0.00 H ATOM 927 HE2 LYS A 771 -0.856 -7.890 -12.842 1.00 0.00 H ATOM 928 HE3 LYS A 771 0.646 -8.518 -13.562 1.00 0.00 H ATOM 929 HZ1 LYS A 771 -0.698 -5.969 -14.289 1.00 0.00 H ATOM 930 HZ2 LYS A 771 0.736 -6.569 -14.976 1.00 0.00 H ATOM 931 HZ3 LYS A 771 -0.726 -7.406 -15.195 1.00 0.00 H ATOM 932 H LYS A 771 1.600 -4.571 -8.318 1.00 0.00 H ATOM 933 N THR A 772 0.794 -7.131 -6.892 1.00 0.00 N ATOM 934 CA THR A 772 0.536 -7.996 -5.752 1.00 0.00 C ATOM 935 C THR A 772 -0.849 -7.651 -5.227 1.00 0.00 C ATOM 936 O THR A 772 -1.636 -8.524 -4.868 1.00 0.00 O ATOM 937 CB THR A 772 1.577 -7.831 -4.635 1.00 0.00 C ATOM 938 OG1 THR A 772 2.892 -8.087 -5.145 1.00 0.00 O ATOM 939 CG2 THR A 772 1.272 -8.789 -3.496 1.00 0.00 C ATOM 940 HA THR A 772 0.598 -9.035 -6.075 1.00 0.00 H ATOM 941 HB THR A 772 1.534 -6.807 -4.263 1.00 0.00 H ATOM 942 HG1 THR A 772 3.554 -7.978 -4.417 1.00 0.00 H ATOM 943 HG23 THR A 772 0.271 -8.589 -3.113 1.00 0.00 H ATOM 944 HG21 THR A 772 1.324 -9.815 -3.862 1.00 0.00 H ATOM 945 HG22 THR A 772 2.002 -8.648 -2.699 1.00 0.00 H ATOM 946 H THR A 772 1.580 -6.451 -6.851 1.00 0.00 H ATOM 947 N MET A 773 -1.121 -6.347 -5.171 1.00 0.00 N ATOM 948 CA MET A 773 -2.434 -5.846 -4.788 1.00 0.00 C ATOM 949 C MET A 773 -3.444 -6.497 -5.724 1.00 0.00 C ATOM 950 O MET A 773 -4.294 -7.273 -5.307 1.00 0.00 O ATOM 951 CB MET A 773 -2.485 -4.324 -4.939 1.00 0.00 C ATOM 952 CG MET A 773 -2.160 -3.570 -3.667 1.00 0.00 C ATOM 953 SD MET A 773 -3.337 -3.902 -2.366 1.00 0.00 S ATOM 954 CE MET A 773 -4.791 -3.150 -3.065 1.00 0.00 C ATOM 955 HA MET A 773 -2.653 -6.084 -3.747 1.00 0.00 H ATOM 956 HB2 MET A 773 -1.767 -4.031 -5.705 1.00 0.00 H ATOM 957 HB3 MET A 773 -3.489 -4.044 -5.257 1.00 0.00 H ATOM 958 HG2 MET A 773 -2.165 -2.501 -3.881 1.00 0.00 H ATOM 959 HG3 MET A 773 -1.168 -3.866 -3.327 1.00 0.00 H ATOM 960 HE1 MET A 773 -4.604 -2.089 -3.234 1.00 0.00 H ATOM 961 HE2 MET A 773 -5.029 -3.634 -4.012 1.00 0.00 H ATOM 962 HE3 MET A 773 -5.627 -3.268 -2.375 1.00 0.00 H ATOM 963 H MET A 773 -0.372 -5.666 -5.408 1.00 0.00 H ATOM 964 N SER A 774 -3.293 -6.204 -7.010 1.00 0.00 N ATOM 965 CA SER A 774 -4.160 -6.753 -8.046 1.00 0.00 C ATOM 966 C SER A 774 -4.164 -8.267 -8.017 1.00 0.00 C ATOM 967 O SER A 774 -5.109 -8.896 -8.466 1.00 0.00 O ATOM 968 CB SER A 774 -3.720 -6.266 -9.407 1.00 0.00 C ATOM 969 OG SER A 774 -2.586 -6.976 -9.871 1.00 0.00 O ATOM 970 HA SER A 774 -5.175 -6.407 -7.849 1.00 0.00 H ATOM 971 HB2 SER A 774 -3.472 -5.207 -9.341 1.00 0.00 H ATOM 972 HB3 SER A 774 -4.538 -6.403 -10.114 1.00 0.00 H ATOM 973 HG SER A 774 -1.837 -6.851 -9.236 1.00 0.00 H ATOM 974 H SER A 774 -2.527 -5.558 -7.289 1.00 0.00 H ATOM 975 N GLU A 775 -3.089 -8.844 -7.512 1.00 0.00 N ATOM 976 CA GLU A 775 -2.988 -10.286 -7.395 1.00 0.00 C ATOM 977 C GLU A 775 -4.108 -10.755 -6.500 1.00 0.00 C ATOM 978 O GLU A 775 -4.933 -11.599 -6.871 1.00 0.00 O ATOM 979 CB GLU A 775 -1.632 -10.656 -6.802 1.00 0.00 C ATOM 980 CG GLU A 775 -0.789 -11.526 -7.704 1.00 0.00 C ATOM 981 CD GLU A 775 0.269 -12.303 -6.947 1.00 0.00 C ATOM 982 OE1 GLU A 775 -0.033 -13.422 -6.482 1.00 0.00 O ATOM 983 OE2 GLU A 775 1.403 -11.793 -6.819 1.00 0.00 O ATOM 984 HA GLU A 775 -3.071 -10.764 -8.371 1.00 0.00 H ATOM 985 HB2 GLU A 775 -1.083 -9.737 -6.600 1.00 0.00 H ATOM 986 HB3 GLU A 775 -1.800 -11.191 -5.867 1.00 0.00 H ATOM 987 HG2 GLU A 775 -1.442 -12.233 -8.216 1.00 0.00 H ATOM 988 HG3 GLU A 775 -0.296 -10.891 -8.440 1.00 0.00 H ATOM 989 H GLU A 775 -2.297 -8.251 -7.191 1.00 0.00 H ATOM 990 N ARG A 776 -4.152 -10.140 -5.333 1.00 0.00 N ATOM 991 CA ARG A 776 -5.167 -10.417 -4.350 1.00 0.00 C ATOM 992 C ARG A 776 -6.521 -10.115 -4.952 1.00 0.00 C ATOM 993 O ARG A 776 -7.443 -10.925 -4.922 1.00 0.00 O ATOM 994 CB ARG A 776 -4.904 -9.556 -3.141 1.00 0.00 C ATOM 995 CG ARG A 776 -3.752 -10.082 -2.307 1.00 0.00 C ATOM 996 CD ARG A 776 -2.736 -9.005 -1.968 1.00 0.00 C ATOM 997 NE ARG A 776 -1.548 -9.570 -1.336 1.00 0.00 N ATOM 998 CZ ARG A 776 -1.440 -9.800 -0.030 1.00 0.00 C ATOM 999 NH1 ARG A 776 -2.450 -9.519 0.783 1.00 0.00 N ATOM 1000 NH2 ARG A 776 -0.320 -10.310 0.465 1.00 0.00 N ATOM 1001 HA ARG A 776 -5.150 -11.464 -4.047 1.00 0.00 H ATOM 1002 HB2 ARG A 776 -4.665 -8.546 -3.474 1.00 0.00 H ATOM 1003 HB3 ARG A 776 -5.802 -9.531 -2.524 1.00 0.00 H ATOM 1004 HG2 ARG A 776 -4.151 -10.491 -1.379 1.00 0.00 H ATOM 1005 HG3 ARG A 776 -3.250 -10.873 -2.864 1.00 0.00 H ATOM 1006 HD2 ARG A 776 -3.193 -8.288 -1.286 1.00 0.00 H ATOM 1007 HD3 ARG A 776 -2.441 -8.495 -2.885 1.00 0.00 H ATOM 1008 HE ARG A 776 -0.737 -9.807 -1.943 1.00 0.00 H ATOM 1009 HH12 ARG A 776 -2.362 -9.700 1.803 1.00 0.00 H ATOM 1010 HH11 ARG A 776 -3.330 -9.118 0.400 1.00 0.00 H ATOM 1011 HH22 ARG A 776 -0.237 -10.489 1.486 1.00 0.00 H ATOM 1012 HH21 ARG A 776 0.475 -10.531 -0.168 1.00 0.00 H ATOM 1013 H ARG A 776 -3.426 -9.428 -5.115 1.00 0.00 H ATOM 1014 N LEU A 777 -6.588 -8.934 -5.522 1.00 0.00 N ATOM 1015 CA LEU A 777 -7.771 -8.428 -6.191 1.00 0.00 C ATOM 1016 C LEU A 777 -8.326 -9.460 -7.119 1.00 0.00 C ATOM 1017 O LEU A 777 -9.509 -9.783 -7.085 1.00 0.00 O ATOM 1018 CB LEU A 777 -7.366 -7.185 -6.974 1.00 0.00 C ATOM 1019 CG LEU A 777 -8.472 -6.291 -7.515 1.00 0.00 C ATOM 1020 CD1 LEU A 777 -9.744 -7.028 -7.813 1.00 0.00 C ATOM 1021 CD2 LEU A 777 -8.740 -5.189 -6.526 1.00 0.00 C ATOM 1022 HA LEU A 777 -8.542 -8.185 -5.460 1.00 0.00 H ATOM 1023 HB2 LEU A 777 -6.747 -6.574 -6.316 1.00 0.00 H ATOM 1024 HB3 LEU A 777 -6.771 -7.517 -7.825 1.00 0.00 H ATOM 1025 HG LEU A 777 -8.123 -5.887 -8.465 1.00 0.00 H ATOM 1026 HD21 LEU A 777 -9.050 -5.623 -5.575 1.00 0.00 H ATOM 1027 HD22 LEU A 777 -7.832 -4.604 -6.381 1.00 0.00 H ATOM 1028 HD23 LEU A 777 -9.532 -4.545 -6.908 1.00 0.00 H ATOM 1029 HD11 LEU A 777 -9.550 -7.797 -8.560 1.00 0.00 H ATOM 1030 HD12 LEU A 777 -10.116 -7.492 -6.900 1.00 0.00 H ATOM 1031 HD13 LEU A 777 -10.487 -6.328 -8.195 1.00 0.00 H ATOM 1032 H LEU A 777 -5.744 -8.327 -5.492 1.00 0.00 H ATOM 1033 N LYS A 778 -7.457 -9.979 -7.939 1.00 0.00 N ATOM 1034 CA LYS A 778 -7.847 -10.954 -8.901 1.00 0.00 C ATOM 1035 C LYS A 778 -8.614 -12.079 -8.233 1.00 0.00 C ATOM 1036 O LYS A 778 -9.700 -12.459 -8.668 1.00 0.00 O ATOM 1037 CB LYS A 778 -6.638 -11.535 -9.578 1.00 0.00 C ATOM 1038 CG LYS A 778 -6.518 -11.118 -11.014 1.00 0.00 C ATOM 1039 CD LYS A 778 -5.712 -9.837 -11.158 1.00 0.00 C ATOM 1040 CE LYS A 778 -4.212 -10.098 -11.054 1.00 0.00 C ATOM 1041 NZ LYS A 778 -3.685 -10.789 -12.264 1.00 0.00 N ATOM 1042 HA LYS A 778 -8.482 -10.462 -9.638 1.00 0.00 H ATOM 1043 HB2 LYS A 778 -5.747 -11.205 -9.044 1.00 0.00 H ATOM 1044 HB3 LYS A 778 -6.704 -12.622 -9.535 1.00 0.00 H ATOM 1045 HG2 LYS A 778 -6.024 -11.912 -11.573 1.00 0.00 H ATOM 1046 HG3 LYS A 778 -7.516 -10.956 -11.420 1.00 0.00 H ATOM 1047 HD2 LYS A 778 -5.927 -9.392 -12.129 1.00 0.00 H ATOM 1048 HD3 LYS A 778 -6.006 -9.144 -10.369 1.00 0.00 H ATOM 1049 HE2 LYS A 778 -4.022 -10.722 -10.180 1.00 0.00 H ATOM 1050 HE3 LYS A 778 -3.695 -9.145 -10.938 1.00 0.00 H ATOM 1051 HZ1 LYS A 778 -4.169 -11.703 -12.378 1.00 0.00 H ATOM 1052 HZ2 LYS A 778 -3.857 -10.197 -13.102 1.00 0.00 H ATOM 1053 HZ3 LYS A 778 -2.663 -10.948 -12.154 1.00 0.00 H ATOM 1054 H LYS A 778 -6.463 -9.677 -7.890 1.00 0.00 H ATOM 1055 N ASN A 779 -8.020 -12.610 -7.166 1.00 0.00 N ATOM 1056 CA ASN A 779 -8.615 -13.698 -6.417 1.00 0.00 C ATOM 1057 C ASN A 779 -9.808 -13.224 -5.601 1.00 0.00 C ATOM 1058 O ASN A 779 -10.432 -14.011 -4.890 1.00 0.00 O ATOM 1059 CB ASN A 779 -7.598 -14.270 -5.446 1.00 0.00 C ATOM 1060 CG ASN A 779 -6.163 -14.057 -5.856 1.00 0.00 C ATOM 1061 OD1 ASN A 779 -5.678 -14.648 -6.820 1.00 0.00 O ATOM 1062 ND2 ASN A 779 -5.467 -13.208 -5.099 1.00 0.00 N ATOM 1063 HA ASN A 779 -8.939 -14.448 -7.138 1.00 0.00 H ATOM 1064 HB2 ASN A 779 -7.750 -13.799 -4.475 1.00 0.00 H ATOM 1065 HB3 ASN A 779 -7.773 -15.342 -5.359 1.00 0.00 H ATOM 1066 HD22 ASN A 779 -5.924 -12.734 -4.294 1.00 0.00 H ATOM 1067 HD21 ASN A 779 -4.467 -13.020 -5.313 1.00 0.00 H ATOM 1068 H ASN A 779 -7.100 -12.232 -6.861 1.00 0.00 H ATOM 1069 N ARG A 780 -10.098 -11.932 -5.694 1.00 0.00 N ATOM 1070 CA ARG A 780 -11.190 -11.322 -4.944 1.00 0.00 C ATOM 1071 C ARG A 780 -10.806 -11.287 -3.478 1.00 0.00 C ATOM 1072 O ARG A 780 -11.654 -11.147 -2.597 1.00 0.00 O ATOM 1073 CB ARG A 780 -12.498 -12.097 -5.090 1.00 0.00 C ATOM 1074 CG ARG A 780 -13.166 -11.960 -6.435 1.00 0.00 C ATOM 1075 CD ARG A 780 -12.424 -12.737 -7.499 1.00 0.00 C ATOM 1076 NE ARG A 780 -13.213 -13.847 -8.026 1.00 0.00 N ATOM 1077 CZ ARG A 780 -12.702 -15.032 -8.344 1.00 0.00 C ATOM 1078 NH1 ARG A 780 -11.406 -15.265 -8.184 1.00 0.00 N ATOM 1079 NH2 ARG A 780 -13.489 -15.988 -8.819 1.00 0.00 N ATOM 1080 HA ARG A 780 -11.352 -10.320 -5.341 1.00 0.00 H ATOM 1081 HB2 ARG A 780 -12.288 -13.153 -4.921 1.00 0.00 H ATOM 1082 HB3 ARG A 780 -13.191 -11.740 -4.329 1.00 0.00 H ATOM 1083 HG2 ARG A 780 -14.186 -12.338 -6.365 1.00 0.00 H ATOM 1084 HG3 ARG A 780 -13.189 -10.907 -6.715 1.00 0.00 H ATOM 1085 HD2 ARG A 780 -11.505 -13.134 -7.067 1.00 0.00 H ATOM 1086 HD3 ARG A 780 -12.177 -12.062 -8.318 1.00 0.00 H ATOM 1087 HE ARG A 780 -14.234 -13.702 -8.160 1.00 0.00 H ATOM 1088 HH12 ARG A 780 -11.010 -16.194 -8.434 1.00 0.00 H ATOM 1089 HH11 ARG A 780 -10.786 -14.519 -7.809 1.00 0.00 H ATOM 1090 HH22 ARG A 780 -13.089 -16.915 -9.068 1.00 0.00 H ATOM 1091 HH21 ARG A 780 -14.506 -15.811 -8.943 1.00 0.00 H ATOM 1092 H ARG A 780 -9.526 -11.334 -6.324 1.00 0.00 H ATOM 1093 N TYR A 781 -9.508 -11.423 -3.237 1.00 0.00 N ATOM 1094 CA TYR A 781 -8.966 -11.451 -1.896 1.00 0.00 C ATOM 1095 C TYR A 781 -9.468 -10.277 -1.073 1.00 0.00 C ATOM 1096 O TYR A 781 -9.741 -10.431 0.112 1.00 0.00 O ATOM 1097 CB TYR A 781 -7.440 -11.453 -1.984 1.00 0.00 C ATOM 1098 CG TYR A 781 -6.709 -11.120 -0.711 1.00 0.00 C ATOM 1099 CD1 TYR A 781 -6.536 -9.806 -0.352 1.00 0.00 C ATOM 1100 CD2 TYR A 781 -6.160 -12.105 0.097 1.00 0.00 C ATOM 1101 CE1 TYR A 781 -5.836 -9.454 0.771 1.00 0.00 C ATOM 1102 CE2 TYR A 781 -5.460 -11.772 1.240 1.00 0.00 C ATOM 1103 CZ TYR A 781 -5.296 -10.443 1.573 1.00 0.00 C ATOM 1104 OH TYR A 781 -4.584 -10.104 2.699 1.00 0.00 O ATOM 1105 HA TYR A 781 -9.302 -12.356 -1.389 1.00 0.00 H ATOM 1106 HB3 TYR A 781 -7.147 -10.723 -2.739 1.00 0.00 H ATOM 1107 HB2 TYR A 781 -7.124 -12.447 -2.301 1.00 0.00 H ATOM 1108 HD2 TYR A 781 -6.283 -13.154 -0.173 1.00 0.00 H ATOM 1109 HE2 TYR A 781 -5.040 -12.553 1.874 1.00 0.00 H ATOM 1110 HE1 TYR A 781 -5.705 -8.403 1.031 1.00 0.00 H ATOM 1111 HD1 TYR A 781 -6.967 -9.023 -0.977 1.00 0.00 H ATOM 1112 HH TYR A 781 -4.563 -9.118 2.790 1.00 0.00 H ATOM 1113 H TYR A 781 -8.856 -11.513 -4.042 1.00 0.00 H ATOM 1114 N TYR A 782 -9.600 -9.109 -1.706 1.00 0.00 N ATOM 1115 CA TYR A 782 -10.059 -7.921 -1.004 1.00 0.00 C ATOM 1116 C TYR A 782 -11.507 -8.030 -0.603 1.00 0.00 C ATOM 1117 O TYR A 782 -12.392 -7.430 -1.213 1.00 0.00 O ATOM 1118 CB TYR A 782 -9.821 -6.673 -1.843 1.00 0.00 C ATOM 1119 CG TYR A 782 -8.401 -6.554 -2.206 1.00 0.00 C ATOM 1120 CD1 TYR A 782 -7.504 -6.160 -1.271 1.00 0.00 C ATOM 1121 CD2 TYR A 782 -7.947 -6.889 -3.451 1.00 0.00 C ATOM 1122 CE1 TYR A 782 -6.184 -6.096 -1.545 1.00 0.00 C ATOM 1123 CE2 TYR A 782 -6.612 -6.807 -3.743 1.00 0.00 C ATOM 1124 CZ TYR A 782 -5.738 -6.413 -2.776 1.00 0.00 C ATOM 1125 OH TYR A 782 -4.411 -6.353 -3.035 1.00 0.00 O ATOM 1126 HA TYR A 782 -9.475 -7.838 -0.088 1.00 0.00 H ATOM 1127 HB3 TYR A 782 -10.119 -5.795 -1.271 1.00 0.00 H ATOM 1128 HB2 TYR A 782 -10.419 -6.733 -2.752 1.00 0.00 H ATOM 1129 HD2 TYR A 782 -8.650 -7.223 -4.214 1.00 0.00 H ATOM 1130 HE2 TYR A 782 -6.252 -7.055 -4.741 1.00 0.00 H ATOM 1131 HE1 TYR A 782 -5.480 -5.788 -0.772 1.00 0.00 H ATOM 1132 HD1 TYR A 782 -7.856 -5.889 -0.276 1.00 0.00 H ATOM 1133 HH TYR A 782 -4.086 -7.251 -3.296 1.00 0.00 H ATOM 1134 H TYR A 782 -9.371 -9.048 -2.719 1.00 0.00 H ATOM 1135 N VAL A 783 -11.734 -8.810 0.435 1.00 0.00 N ATOM 1136 CA VAL A 783 -13.054 -8.982 0.972 1.00 0.00 C ATOM 1137 C VAL A 783 -13.325 -7.834 1.908 1.00 0.00 C ATOM 1138 O VAL A 783 -14.297 -7.819 2.664 1.00 0.00 O ATOM 1139 CB VAL A 783 -13.186 -10.307 1.719 1.00 0.00 C ATOM 1140 CG1 VAL A 783 -13.052 -11.447 0.745 1.00 0.00 C ATOM 1141 CG2 VAL A 783 -12.144 -10.391 2.804 1.00 0.00 C ATOM 1142 HA VAL A 783 -13.777 -8.998 0.156 1.00 0.00 H ATOM 1143 HB VAL A 783 -14.167 -10.369 2.190 1.00 0.00 H ATOM 1144 HG11 VAL A 783 -13.837 -11.374 -0.008 1.00 0.00 H ATOM 1145 HG12 VAL A 783 -12.076 -11.397 0.261 1.00 0.00 H ATOM 1146 HG13 VAL A 783 -13.146 -12.392 1.279 1.00 0.00 H ATOM 1147 HG21 VAL A 783 -11.151 -10.326 2.358 1.00 0.00 H ATOM 1148 HG22 VAL A 783 -12.283 -9.568 3.504 1.00 0.00 H ATOM 1149 HG23 VAL A 783 -12.246 -11.339 3.331 1.00 0.00 H ATOM 1150 H VAL A 783 -10.937 -9.313 0.876 1.00 0.00 H ATOM 1151 N SER A 784 -12.424 -6.870 1.826 1.00 0.00 N ATOM 1152 CA SER A 784 -12.465 -5.695 2.652 1.00 0.00 C ATOM 1153 C SER A 784 -11.532 -4.636 2.078 1.00 0.00 C ATOM 1154 O SER A 784 -10.359 -4.919 1.836 1.00 0.00 O ATOM 1155 CB SER A 784 -12.026 -6.085 4.047 1.00 0.00 C ATOM 1156 OG SER A 784 -13.137 -6.383 4.876 1.00 0.00 O ATOM 1157 HA SER A 784 -13.474 -5.283 2.684 1.00 0.00 H ATOM 1158 HB2 SER A 784 -11.467 -5.259 4.487 1.00 0.00 H ATOM 1159 HB3 SER A 784 -11.384 -6.964 3.984 1.00 0.00 H ATOM 1160 HG SER A 784 -13.647 -7.136 4.485 1.00 0.00 H ATOM 1161 H SER A 784 -11.653 -6.966 1.135 1.00 0.00 H ATOM 1162 N LYS A 785 -12.042 -3.423 1.837 1.00 0.00 N ATOM 1163 CA LYS A 785 -11.193 -2.361 1.297 1.00 0.00 C ATOM 1164 C LYS A 785 -9.971 -2.190 2.153 1.00 0.00 C ATOM 1165 O LYS A 785 -9.048 -1.527 1.742 1.00 0.00 O ATOM 1166 CB LYS A 785 -11.897 -1.011 1.223 1.00 0.00 C ATOM 1167 CG LYS A 785 -12.711 -0.678 2.450 1.00 0.00 C ATOM 1168 CD LYS A 785 -14.138 -1.093 2.222 1.00 0.00 C ATOM 1169 CE LYS A 785 -15.061 0.092 2.159 1.00 0.00 C ATOM 1170 NZ LYS A 785 -15.033 0.890 3.416 1.00 0.00 N ATOM 1171 HA LYS A 785 -10.933 -2.672 0.285 1.00 0.00 H ATOM 1172 HB2 LYS A 785 -11.142 -0.236 1.091 1.00 0.00 H ATOM 1173 HB3 LYS A 785 -12.563 -1.018 0.360 1.00 0.00 H ATOM 1174 HG2 LYS A 785 -12.309 -1.212 3.311 1.00 0.00 H ATOM 1175 HG3 LYS A 785 -12.668 0.395 2.637 1.00 0.00 H ATOM 1176 HD2 LYS A 785 -14.201 -1.640 1.281 1.00 0.00 H ATOM 1177 HD3 LYS A 785 -14.452 -1.742 3.040 1.00 0.00 H ATOM 1178 HE2 LYS A 785 -16.078 -0.262 1.990 1.00 0.00 H ATOM 1179 HE3 LYS A 785 -14.757 0.731 1.330 1.00 0.00 H ATOM 1180 HZ1 LYS A 785 -15.328 0.290 4.213 1.00 0.00 H ATOM 1181 HZ2 LYS A 785 -14.067 1.239 3.582 1.00 0.00 H ATOM 1182 HZ3 LYS A 785 -15.684 1.696 3.328 1.00 0.00 H ATOM 1183 H LYS A 785 -13.046 -3.234 2.034 1.00 0.00 H ATOM 1184 N LYS A 786 -9.984 -2.759 3.357 1.00 0.00 N ATOM 1185 CA LYS A 786 -8.837 -2.642 4.242 1.00 0.00 C ATOM 1186 C LYS A 786 -7.704 -3.515 3.747 1.00 0.00 C ATOM 1187 O LYS A 786 -6.542 -3.161 3.869 1.00 0.00 O ATOM 1188 CB LYS A 786 -9.194 -3.003 5.687 1.00 0.00 C ATOM 1189 CG LYS A 786 -10.095 -1.992 6.377 1.00 0.00 C ATOM 1190 CD LYS A 786 -11.547 -2.156 5.962 1.00 0.00 C ATOM 1191 CE LYS A 786 -12.466 -1.295 6.811 1.00 0.00 C ATOM 1192 NZ LYS A 786 -12.096 0.145 6.746 1.00 0.00 N ATOM 1193 HA LYS A 786 -8.518 -1.600 4.233 1.00 0.00 H ATOM 1194 HB2 LYS A 786 -9.702 -3.967 5.683 1.00 0.00 H ATOM 1195 HB3 LYS A 786 -8.269 -3.083 6.258 1.00 0.00 H ATOM 1196 HG2 LYS A 786 -10.018 -2.129 7.456 1.00 0.00 H ATOM 1197 HG3 LYS A 786 -9.764 -0.987 6.115 1.00 0.00 H ATOM 1198 HD2 LYS A 786 -11.653 -1.865 4.917 1.00 0.00 H ATOM 1199 HD3 LYS A 786 -11.833 -3.201 6.077 1.00 0.00 H ATOM 1200 HE2 LYS A 786 -12.404 -1.628 7.847 1.00 0.00 H ATOM 1201 HE3 LYS A 786 -13.489 -1.413 6.453 1.00 0.00 H ATOM 1202 HZ1 LYS A 786 -11.123 0.268 7.092 1.00 0.00 H ATOM 1203 HZ2 LYS A 786 -12.159 0.474 5.761 1.00 0.00 H ATOM 1204 HZ3 LYS A 786 -12.748 0.696 7.339 1.00 0.00 H ATOM 1205 H LYS A 786 -10.822 -3.292 3.667 1.00 0.00 H ATOM 1206 N LEU A 787 -8.039 -4.680 3.232 1.00 0.00 N ATOM 1207 CA LEU A 787 -7.039 -5.549 2.652 1.00 0.00 C ATOM 1208 C LEU A 787 -6.379 -4.781 1.567 1.00 0.00 C ATOM 1209 O LEU A 787 -5.163 -4.764 1.383 1.00 0.00 O ATOM 1210 CB LEU A 787 -7.722 -6.745 2.024 1.00 0.00 C ATOM 1211 CG LEU A 787 -8.094 -7.818 2.989 1.00 0.00 C ATOM 1212 CD1 LEU A 787 -8.857 -8.905 2.275 1.00 0.00 C ATOM 1213 CD2 LEU A 787 -6.840 -8.314 3.669 1.00 0.00 C ATOM 1214 HA LEU A 787 -6.329 -5.883 3.409 1.00 0.00 H ATOM 1215 HB2 LEU A 787 -8.631 -6.399 1.531 1.00 0.00 H ATOM 1216 HB3 LEU A 787 -7.048 -7.172 1.282 1.00 0.00 H ATOM 1217 HG LEU A 787 -8.758 -7.437 3.765 1.00 0.00 H ATOM 1218 HD21 LEU A 787 -6.155 -8.710 2.920 1.00 0.00 H ATOM 1219 HD22 LEU A 787 -6.364 -7.488 4.198 1.00 0.00 H ATOM 1220 HD23 LEU A 787 -7.099 -9.100 4.378 1.00 0.00 H ATOM 1221 HD11 LEU A 787 -9.762 -8.484 1.837 1.00 0.00 H ATOM 1222 HD12 LEU A 787 -8.233 -9.328 1.488 1.00 0.00 H ATOM 1223 HD13 LEU A 787 -9.126 -9.686 2.986 1.00 0.00 H ATOM 1224 H LEU A 787 -9.035 -4.979 3.243 1.00 0.00 H ATOM 1225 N PHE A 788 -7.264 -4.143 0.866 1.00 0.00 N ATOM 1226 CA PHE A 788 -6.961 -3.323 -0.245 1.00 0.00 C ATOM 1227 C PHE A 788 -6.270 -2.052 0.160 1.00 0.00 C ATOM 1228 O PHE A 788 -5.361 -1.574 -0.514 1.00 0.00 O ATOM 1229 CB PHE A 788 -8.247 -3.033 -0.926 1.00 0.00 C ATOM 1230 CG PHE A 788 -7.951 -2.600 -2.271 1.00 0.00 C ATOM 1231 CD1 PHE A 788 -7.647 -1.319 -2.420 1.00 0.00 C ATOM 1232 CD2 PHE A 788 -7.916 -3.443 -3.348 1.00 0.00 C ATOM 1233 CE1 PHE A 788 -7.314 -0.809 -3.613 1.00 0.00 C ATOM 1234 CE2 PHE A 788 -7.580 -2.946 -4.580 1.00 0.00 C ATOM 1235 CZ PHE A 788 -7.280 -1.620 -4.710 1.00 0.00 C ATOM 1236 HA PHE A 788 -6.268 -3.838 -0.911 1.00 0.00 H ATOM 1237 HB2 PHE A 788 -8.863 -3.932 -0.953 1.00 0.00 H ATOM 1238 HB3 PHE A 788 -8.779 -2.246 -0.392 1.00 0.00 H ATOM 1239 HD2 PHE A 788 -8.153 -4.500 -3.227 1.00 0.00 H ATOM 1240 HE2 PHE A 788 -7.552 -3.603 -5.449 1.00 0.00 H ATOM 1241 HZ PHE A 788 -7.015 -1.212 -5.685 1.00 0.00 H ATOM 1242 HE1 PHE A 788 -7.071 0.249 -3.707 1.00 0.00 H ATOM 1243 HD1 PHE A 788 -7.668 -0.663 -1.549 1.00 0.00 H ATOM 1244 H PHE A 788 -8.263 -4.241 1.139 1.00 0.00 H ATOM 1245 N MET A 789 -6.698 -1.520 1.267 1.00 0.00 N ATOM 1246 CA MET A 789 -6.139 -0.309 1.766 1.00 0.00 C ATOM 1247 C MET A 789 -4.754 -0.611 2.269 1.00 0.00 C ATOM 1248 O MET A 789 -3.777 -0.168 1.710 1.00 0.00 O ATOM 1249 CB MET A 789 -7.011 0.243 2.865 1.00 0.00 C ATOM 1250 CG MET A 789 -8.201 1.018 2.333 1.00 0.00 C ATOM 1251 SD MET A 789 -8.433 2.551 3.213 1.00 0.00 S ATOM 1252 CE MET A 789 -7.791 3.663 1.985 1.00 0.00 C ATOM 1253 HA MET A 789 -6.084 0.445 0.981 1.00 0.00 H ATOM 1254 HB2 MET A 789 -7.377 -0.586 3.470 1.00 0.00 H ATOM 1255 HB3 MET A 789 -6.411 0.908 3.486 1.00 0.00 H ATOM 1256 HG2 MET A 789 -9.098 0.408 2.442 1.00 0.00 H ATOM 1257 HG3 MET A 789 -8.038 1.237 1.278 1.00 0.00 H ATOM 1258 HE1 MET A 789 -6.751 3.412 1.777 1.00 0.00 H ATOM 1259 HE2 MET A 789 -8.378 3.571 1.071 1.00 0.00 H ATOM 1260 HE3 MET A 789 -7.852 4.686 2.356 1.00 0.00 H ATOM 1261 H MET A 789 -7.461 -1.987 1.797 1.00 0.00 H ATOM 1262 N ALA A 790 -4.708 -1.446 3.288 1.00 0.00 N ATOM 1263 CA ALA A 790 -3.467 -1.874 3.914 1.00 0.00 C ATOM 1264 C ALA A 790 -2.390 -2.263 2.917 1.00 0.00 C ATOM 1265 O ALA A 790 -1.272 -1.778 3.000 1.00 0.00 O ATOM 1266 CB ALA A 790 -3.741 -3.079 4.791 1.00 0.00 C ATOM 1267 HA ALA A 790 -3.101 -1.021 4.486 1.00 0.00 H ATOM 1268 HB1 ALA A 790 -4.465 -2.810 5.560 1.00 0.00 H ATOM 1269 HB2 ALA A 790 -4.141 -3.888 4.180 1.00 0.00 H ATOM 1270 HB3 ALA A 790 -2.813 -3.403 5.262 1.00 0.00 H ATOM 1271 H ALA A 790 -5.604 -1.817 3.663 1.00 0.00 H ATOM 1272 N ASP A 791 -2.731 -3.155 1.990 1.00 0.00 N ATOM 1273 CA ASP A 791 -1.768 -3.647 1.012 1.00 0.00 C ATOM 1274 C ASP A 791 -1.351 -2.559 0.025 1.00 0.00 C ATOM 1275 O ASP A 791 -0.167 -2.331 -0.181 1.00 0.00 O ATOM 1276 CB ASP A 791 -2.314 -4.872 0.291 1.00 0.00 C ATOM 1277 CG ASP A 791 -2.389 -6.088 1.196 1.00 0.00 C ATOM 1278 OD1 ASP A 791 -1.387 -6.380 1.880 1.00 0.00 O ATOM 1279 OD2 ASP A 791 -3.449 -6.746 1.221 1.00 0.00 O ATOM 1280 HA ASP A 791 -0.869 -3.943 1.553 1.00 0.00 H ATOM 1281 HB2 ASP A 791 -3.315 -4.646 -0.076 1.00 0.00 H ATOM 1282 HB3 ASP A 791 -1.663 -5.102 -0.552 1.00 0.00 H ATOM 1283 H ASP A 791 -3.708 -3.510 1.963 1.00 0.00 H ATOM 1284 N LEU A 792 -2.291 -1.891 -0.617 1.00 0.00 N ATOM 1285 CA LEU A 792 -1.894 -0.818 -1.513 1.00 0.00 C ATOM 1286 C LEU A 792 -1.112 0.179 -0.696 1.00 0.00 C ATOM 1287 O LEU A 792 -0.131 0.768 -1.152 1.00 0.00 O ATOM 1288 CB LEU A 792 -3.100 -0.118 -2.139 1.00 0.00 C ATOM 1289 CG LEU A 792 -3.154 -0.127 -3.640 1.00 0.00 C ATOM 1290 CD1 LEU A 792 -4.254 0.794 -4.103 1.00 0.00 C ATOM 1291 CD2 LEU A 792 -1.818 0.282 -4.203 1.00 0.00 C ATOM 1292 HA LEU A 792 -1.302 -1.233 -2.329 1.00 0.00 H ATOM 1293 HB2 LEU A 792 -4.001 -0.608 -1.769 1.00 0.00 H ATOM 1294 HB3 LEU A 792 -3.092 0.921 -1.811 1.00 0.00 H ATOM 1295 HG LEU A 792 -3.373 -1.132 -4.000 1.00 0.00 H ATOM 1296 HD21 LEU A 792 -1.571 1.286 -3.857 1.00 0.00 H ATOM 1297 HD22 LEU A 792 -1.053 -0.418 -3.866 1.00 0.00 H ATOM 1298 HD23 LEU A 792 -1.866 0.273 -5.292 1.00 0.00 H ATOM 1299 HD11 LEU A 792 -5.207 0.451 -3.700 1.00 0.00 H ATOM 1300 HD12 LEU A 792 -4.052 1.805 -3.750 1.00 0.00 H ATOM 1301 HD13 LEU A 792 -4.296 0.789 -5.192 1.00 0.00 H ATOM 1302 H LEU A 792 -3.295 -2.128 -0.484 1.00 0.00 H ATOM 1303 N GLN A 793 -1.551 0.318 0.541 1.00 0.00 N ATOM 1304 CA GLN A 793 -0.924 1.214 1.482 1.00 0.00 C ATOM 1305 C GLN A 793 0.392 0.607 1.899 1.00 0.00 C ATOM 1306 O GLN A 793 1.291 1.277 2.397 1.00 0.00 O ATOM 1307 CB GLN A 793 -1.830 1.443 2.685 1.00 0.00 C ATOM 1308 CG GLN A 793 -2.995 2.362 2.373 1.00 0.00 C ATOM 1309 CD GLN A 793 -3.982 2.484 3.522 1.00 0.00 C ATOM 1310 OE1 GLN A 793 -3.608 2.345 4.687 1.00 0.00 O ATOM 1311 NE2 GLN A 793 -5.253 2.756 3.211 1.00 0.00 N ATOM 1312 HA GLN A 793 -0.750 2.186 1.021 1.00 0.00 H ATOM 1313 HB2 GLN A 793 -2.223 0.481 3.014 1.00 0.00 H ATOM 1314 HB3 GLN A 793 -1.240 1.887 3.487 1.00 0.00 H ATOM 1315 HG2 GLN A 793 -2.604 3.353 2.145 1.00 0.00 H ATOM 1316 HG3 GLN A 793 -3.522 1.971 1.503 1.00 0.00 H ATOM 1317 HE22 GLN A 793 -5.532 2.867 2.215 1.00 0.00 H ATOM 1318 HE21 GLN A 793 -5.963 2.857 3.965 1.00 0.00 H ATOM 1319 H GLN A 793 -2.376 -0.236 0.847 1.00 0.00 H ATOM 1320 N ARG A 794 0.461 -0.693 1.679 1.00 0.00 N ATOM 1321 CA ARG A 794 1.632 -1.485 1.975 1.00 0.00 C ATOM 1322 C ARG A 794 2.699 -1.224 0.916 1.00 0.00 C ATOM 1323 O ARG A 794 3.889 -1.377 1.174 1.00 0.00 O ATOM 1324 CB ARG A 794 1.251 -2.964 2.020 1.00 0.00 C ATOM 1325 CG ARG A 794 2.304 -3.815 2.672 1.00 0.00 C ATOM 1326 CD ARG A 794 2.389 -3.543 4.160 1.00 0.00 C ATOM 1327 NE ARG A 794 1.108 -3.117 4.725 1.00 0.00 N ATOM 1328 CZ ARG A 794 0.593 -3.618 5.844 1.00 0.00 C ATOM 1329 NH1 ARG A 794 1.236 -4.571 6.507 1.00 0.00 N ATOM 1330 NH2 ARG A 794 -0.568 -3.168 6.299 1.00 0.00 N ATOM 1331 HA ARG A 794 2.036 -1.207 2.948 1.00 0.00 H ATOM 1332 HB2 ARG A 794 0.322 -3.068 2.580 1.00 0.00 H ATOM 1333 HB3 ARG A 794 1.100 -3.317 1.000 1.00 0.00 H ATOM 1334 HG2 ARG A 794 2.058 -4.865 2.516 1.00 0.00 H ATOM 1335 HG3 ARG A 794 3.270 -3.597 2.215 1.00 0.00 H ATOM 1336 HD2 ARG A 794 3.125 -2.758 4.331 1.00 0.00 H ATOM 1337 HD3 ARG A 794 2.708 -4.455 4.665 1.00 0.00 H ATOM 1338 HE ARG A 794 0.570 -2.381 4.223 1.00 0.00 H ATOM 1339 HH12 ARG A 794 0.830 -4.960 7.382 1.00 0.00 H ATOM 1340 HH11 ARG A 794 2.146 -4.928 6.152 1.00 0.00 H ATOM 1341 HH22 ARG A 794 -0.971 -3.560 7.174 1.00 0.00 H ATOM 1342 HH21 ARG A 794 -1.076 -2.423 5.781 1.00 0.00 H ATOM 1343 H ARG A 794 -0.369 -1.170 1.273 1.00 0.00 H ATOM 1344 N VAL A 795 2.259 -0.813 -0.284 1.00 0.00 N ATOM 1345 CA VAL A 795 3.187 -0.506 -1.373 1.00 0.00 C ATOM 1346 C VAL A 795 3.729 0.907 -1.200 1.00 0.00 C ATOM 1347 O VAL A 795 4.917 1.159 -1.397 1.00 0.00 O ATOM 1348 CB VAL A 795 2.542 -0.664 -2.776 1.00 0.00 C ATOM 1349 CG1 VAL A 795 1.325 -1.548 -2.702 1.00 0.00 C ATOM 1350 CG2 VAL A 795 2.199 0.671 -3.406 1.00 0.00 C ATOM 1351 HA VAL A 795 4.001 -1.229 -1.319 1.00 0.00 H ATOM 1352 HB VAL A 795 3.283 -1.138 -3.420 1.00 0.00 H ATOM 1353 HG11 VAL A 795 1.614 -2.532 -2.332 1.00 0.00 H ATOM 1354 HG12 VAL A 795 0.595 -1.104 -2.025 1.00 0.00 H ATOM 1355 HG13 VAL A 795 0.888 -1.646 -3.696 1.00 0.00 H ATOM 1356 HG21 VAL A 795 1.493 1.202 -2.767 1.00 0.00 H ATOM 1357 HG22 VAL A 795 3.107 1.263 -3.517 1.00 0.00 H ATOM 1358 HG23 VAL A 795 1.751 0.505 -4.386 1.00 0.00 H ATOM 1359 H VAL A 795 1.236 -0.711 -0.443 1.00 0.00 H ATOM 1360 N PHE A 796 2.840 1.828 -0.834 1.00 0.00 N ATOM 1361 CA PHE A 796 3.235 3.218 -0.602 1.00 0.00 C ATOM 1362 C PHE A 796 4.115 3.294 0.631 1.00 0.00 C ATOM 1363 O PHE A 796 5.183 3.897 0.608 1.00 0.00 O ATOM 1364 CB PHE A 796 2.032 4.122 -0.367 1.00 0.00 C ATOM 1365 CG PHE A 796 0.807 3.756 -1.140 1.00 0.00 C ATOM 1366 CD1 PHE A 796 0.859 3.470 -2.487 1.00 0.00 C ATOM 1367 CD2 PHE A 796 -0.401 3.685 -0.506 1.00 0.00 C ATOM 1368 CE1 PHE A 796 -0.273 3.117 -3.177 1.00 0.00 C ATOM 1369 CE2 PHE A 796 -1.531 3.332 -1.195 1.00 0.00 C ATOM 1370 CZ PHE A 796 -1.461 3.047 -2.535 1.00 0.00 C ATOM 1371 HA PHE A 796 3.764 3.555 -1.493 1.00 0.00 H ATOM 1372 HB2 PHE A 796 1.785 4.088 0.694 1.00 0.00 H ATOM 1373 HB3 PHE A 796 2.314 5.139 -0.641 1.00 0.00 H ATOM 1374 HD2 PHE A 796 -0.466 3.911 0.558 1.00 0.00 H ATOM 1375 HE2 PHE A 796 -2.489 3.277 -0.677 1.00 0.00 H ATOM 1376 HZ PHE A 796 -2.361 2.765 -3.081 1.00 0.00 H ATOM 1377 HE1 PHE A 796 -0.215 2.893 -4.242 1.00 0.00 H ATOM 1378 HD1 PHE A 796 1.813 3.525 -3.012 1.00 0.00 H ATOM 1379 H PHE A 796 1.844 1.554 -0.710 1.00 0.00 H ATOM 1380 N THR A 797 3.637 2.680 1.716 1.00 0.00 N ATOM 1381 CA THR A 797 4.359 2.679 2.981 1.00 0.00 C ATOM 1382 C THR A 797 5.709 1.993 2.839 1.00 0.00 C ATOM 1383 O THR A 797 6.692 2.451 3.407 1.00 0.00 O ATOM 1384 CB THR A 797 3.552 2.001 4.111 1.00 0.00 C ATOM 1385 OG1 THR A 797 4.030 2.447 5.384 1.00 0.00 O ATOM 1386 CG2 THR A 797 3.654 0.482 4.040 1.00 0.00 C ATOM 1387 HA THR A 797 4.512 3.724 3.252 1.00 0.00 H ATOM 1388 HB THR A 797 2.506 2.280 3.984 1.00 0.00 H ATOM 1389 HG1 THR A 797 4.987 2.210 5.477 1.00 0.00 H ATOM 1390 HG23 THR A 797 3.290 0.140 3.071 1.00 0.00 H ATOM 1391 HG21 THR A 797 4.695 0.183 4.166 1.00 0.00 H ATOM 1392 HG22 THR A 797 3.050 0.041 4.833 1.00 0.00 H ATOM 1393 H THR A 797 2.723 2.188 1.656 1.00 0.00 H ATOM 1394 N ASN A 798 5.752 0.881 2.103 1.00 0.00 N ATOM 1395 CA ASN A 798 7.005 0.178 1.889 1.00 0.00 C ATOM 1396 C ASN A 798 7.883 1.038 1.013 1.00 0.00 C ATOM 1397 O ASN A 798 9.110 0.977 1.080 1.00 0.00 O ATOM 1398 CB ASN A 798 6.774 -1.208 1.271 1.00 0.00 C ATOM 1399 CG ASN A 798 6.487 -1.202 -0.222 1.00 0.00 C ATOM 1400 OD1 ASN A 798 6.947 -0.340 -0.968 1.00 0.00 O ATOM 1401 ND2 ASN A 798 5.733 -2.196 -0.671 1.00 0.00 N ATOM 1402 HA ASN A 798 7.499 0.005 2.845 1.00 0.00 H ATOM 1403 HB2 ASN A 798 7.667 -1.809 1.442 1.00 0.00 H ATOM 1404 HB3 ASN A 798 5.926 -1.668 1.778 1.00 0.00 H ATOM 1405 HD22 ASN A 798 5.362 -2.907 -0.009 1.00 0.00 H ATOM 1406 HD21 ASN A 798 5.513 -2.265 -1.685 1.00 0.00 H ATOM 1407 H ASN A 798 4.877 0.513 1.677 1.00 0.00 H ATOM 1408 N CYS A 799 7.237 1.870 0.200 1.00 0.00 N ATOM 1409 CA CYS A 799 7.966 2.758 -0.661 1.00 0.00 C ATOM 1410 C CYS A 799 8.459 3.941 0.151 1.00 0.00 C ATOM 1411 O CYS A 799 9.495 4.529 -0.122 1.00 0.00 O ATOM 1412 CB CYS A 799 7.133 3.211 -1.835 1.00 0.00 C ATOM 1413 SG CYS A 799 7.993 4.416 -2.860 1.00 0.00 S ATOM 1414 HA CYS A 799 8.820 2.222 -1.076 1.00 0.00 H ATOM 1415 HB2 CYS A 799 6.214 3.662 -1.460 1.00 0.00 H ATOM 1416 HB3 CYS A 799 6.887 2.343 -2.446 1.00 0.00 H ATOM 1417 HG CYS A 799 7.180 4.787 -3.911 1.00 0.00 H ATOM 1418 H CYS A 799 6.197 1.877 0.188 1.00 0.00 H ATOM 1419 N LYS A 800 7.675 4.269 1.154 1.00 0.00 N ATOM 1420 CA LYS A 800 7.958 5.348 2.079 1.00 0.00 C ATOM 1421 C LYS A 800 8.894 4.862 3.183 1.00 0.00 C ATOM 1422 O LYS A 800 9.554 5.643 3.865 1.00 0.00 O ATOM 1423 CB LYS A 800 6.645 5.771 2.688 1.00 0.00 C ATOM 1424 CG LYS A 800 5.805 6.679 1.835 1.00 0.00 C ATOM 1425 CD LYS A 800 4.339 6.476 2.158 1.00 0.00 C ATOM 1426 CE LYS A 800 3.482 7.435 1.389 1.00 0.00 C ATOM 1427 NZ LYS A 800 2.050 7.358 1.788 1.00 0.00 N ATOM 1428 HA LYS A 800 8.438 6.178 1.561 1.00 0.00 H ATOM 1429 HB2 LYS A 800 6.065 4.872 2.896 1.00 0.00 H ATOM 1430 HB3 LYS A 800 6.858 6.289 3.623 1.00 0.00 H ATOM 1431 HG2 LYS A 800 6.079 7.716 2.031 1.00 0.00 H ATOM 1432 HG3 LYS A 800 5.979 6.451 0.783 1.00 0.00 H ATOM 1433 HD2 LYS A 800 4.054 5.456 1.899 1.00 0.00 H ATOM 1434 HD3 LYS A 800 4.183 6.635 3.225 1.00 0.00 H ATOM 1435 HE2 LYS A 800 3.563 7.204 0.327 1.00 0.00 H ATOM 1436 HE3 LYS A 800 3.842 8.448 1.568 1.00 0.00 H ATOM 1437 HZ1 LYS A 800 1.694 6.396 1.614 1.00 0.00 H ATOM 1438 HZ2 LYS A 800 1.960 7.585 2.799 1.00 0.00 H ATOM 1439 HZ3 LYS A 800 1.498 8.039 1.229 1.00 0.00 H ATOM 1440 H LYS A 800 6.801 3.722 1.292 1.00 0.00 H ATOM 1441 N GLU A 801 8.914 3.546 3.349 1.00 0.00 N ATOM 1442 CA GLU A 801 9.702 2.886 4.385 1.00 0.00 C ATOM 1443 C GLU A 801 11.171 2.833 4.051 1.00 0.00 C ATOM 1444 O GLU A 801 12.021 3.392 4.743 1.00 0.00 O ATOM 1445 CB GLU A 801 9.243 1.433 4.487 1.00 0.00 C ATOM 1446 CG GLU A 801 8.697 1.027 5.844 1.00 0.00 C ATOM 1447 CD GLU A 801 7.663 2.001 6.376 1.00 0.00 C ATOM 1448 OE1 GLU A 801 8.060 2.993 7.024 1.00 0.00 O ATOM 1449 OE2 GLU A 801 6.458 1.771 6.146 1.00 0.00 O ATOM 1450 HA GLU A 801 9.560 3.454 5.304 1.00 0.00 H ATOM 1451 HB2 GLU A 801 8.461 1.272 3.745 1.00 0.00 H ATOM 1452 HB3 GLU A 801 10.095 0.792 4.259 1.00 0.00 H ATOM 1453 HG2 GLU A 801 8.236 0.043 5.754 1.00 0.00 H ATOM 1454 HG3 GLU A 801 9.524 0.976 6.552 1.00 0.00 H ATOM 1455 H GLU A 801 8.341 2.957 2.711 1.00 0.00 H ATOM 1456 N TYR A 802 11.429 2.159 2.958 1.00 0.00 N ATOM 1457 CA TYR A 802 12.761 1.908 2.475 1.00 0.00 C ATOM 1458 C TYR A 802 13.326 3.069 1.690 1.00 0.00 C ATOM 1459 O TYR A 802 14.384 3.610 2.008 1.00 0.00 O ATOM 1460 CB TYR A 802 12.669 0.685 1.581 1.00 0.00 C ATOM 1461 CG TYR A 802 13.952 0.253 0.939 1.00 0.00 C ATOM 1462 CD1 TYR A 802 15.197 0.738 1.328 1.00 0.00 C ATOM 1463 CD2 TYR A 802 13.888 -0.631 -0.098 1.00 0.00 C ATOM 1464 CE1 TYR A 802 16.343 0.326 0.683 1.00 0.00 C ATOM 1465 CE2 TYR A 802 15.013 -1.044 -0.755 1.00 0.00 C ATOM 1466 CZ TYR A 802 16.245 -0.565 -0.362 1.00 0.00 C ATOM 1467 OH TYR A 802 17.377 -0.966 -1.021 1.00 0.00 O ATOM 1468 HA TYR A 802 13.432 1.758 3.321 1.00 0.00 H ATOM 1469 HB3 TYR A 802 11.954 0.902 0.788 1.00 0.00 H ATOM 1470 HB2 TYR A 802 12.300 -0.144 2.184 1.00 0.00 H ATOM 1471 HD2 TYR A 802 12.917 -1.017 -0.410 1.00 0.00 H ATOM 1472 HE2 TYR A 802 14.937 -1.747 -1.584 1.00 0.00 H ATOM 1473 HE1 TYR A 802 17.317 0.702 0.997 1.00 0.00 H ATOM 1474 HD1 TYR A 802 15.266 1.450 2.150 1.00 0.00 H ATOM 1475 HH TYR A 802 17.468 -1.949 -0.950 1.00 0.00 H ATOM 1476 H TYR A 802 10.628 1.785 2.410 1.00 0.00 H ATOM 1477 N ASN A 803 12.608 3.427 0.660 1.00 0.00 N ATOM 1478 CA ASN A 803 13.021 4.499 -0.225 1.00 0.00 C ATOM 1479 C ASN A 803 13.137 5.812 0.517 1.00 0.00 C ATOM 1480 O ASN A 803 12.632 5.957 1.629 1.00 0.00 O ATOM 1481 CB ASN A 803 12.015 4.649 -1.364 1.00 0.00 C ATOM 1482 CG ASN A 803 11.597 3.315 -1.955 1.00 0.00 C ATOM 1483 OD1 ASN A 803 12.003 2.253 -1.484 1.00 0.00 O ATOM 1484 ND2 ASN A 803 10.766 3.363 -2.983 1.00 0.00 N ATOM 1485 HA ASN A 803 14.001 4.242 -0.626 1.00 0.00 H ATOM 1486 HB2 ASN A 803 11.128 5.155 -0.982 1.00 0.00 H ATOM 1487 HB3 ASN A 803 12.466 5.253 -2.151 1.00 0.00 H ATOM 1488 HD22 ASN A 803 10.447 4.282 -3.351 1.00 0.00 H ATOM 1489 HD21 ASN A 803 10.432 2.482 -3.423 1.00 0.00 H ATOM 1490 H ASN A 803 11.715 2.929 0.469 1.00 0.00 H ATOM 1491 N PRO A 804 13.909 6.745 -0.056 1.00 0.00 N ATOM 1492 CA PRO A 804 14.056 8.103 0.454 1.00 0.00 C ATOM 1493 C PRO A 804 13.130 9.060 -0.303 1.00 0.00 C ATOM 1494 O PRO A 804 12.977 8.925 -1.516 1.00 0.00 O ATOM 1495 CB PRO A 804 15.506 8.402 0.107 1.00 0.00 C ATOM 1496 CG PRO A 804 15.698 7.723 -1.210 1.00 0.00 C ATOM 1497 CD PRO A 804 14.812 6.506 -1.197 1.00 0.00 C ATOM 1498 HA PRO A 804 13.811 8.211 1.511 1.00 0.00 H ATOM 1499 HD3 PRO A 804 14.250 6.424 -2.127 1.00 0.00 H ATOM 1500 HD2 PRO A 804 15.398 5.599 -1.046 1.00 0.00 H ATOM 1501 HG3 PRO A 804 16.740 7.429 -1.334 1.00 0.00 H ATOM 1502 HG2 PRO A 804 15.411 8.390 -2.023 1.00 0.00 H ATOM 1503 HB2 PRO A 804 15.672 9.476 0.020 1.00 0.00 H ATOM 1504 HB3 PRO A 804 16.179 7.991 0.859 1.00 0.00 H ATOM 1505 N PRO A 805 12.481 10.031 0.379 1.00 0.00 N ATOM 1506 CA PRO A 805 11.584 10.989 -0.284 1.00 0.00 C ATOM 1507 C PRO A 805 12.278 11.761 -1.409 1.00 0.00 C ATOM 1508 O PRO A 805 11.699 12.676 -1.994 1.00 0.00 O ATOM 1509 CB PRO A 805 11.170 11.939 0.841 1.00 0.00 C ATOM 1510 CG PRO A 805 11.366 11.156 2.091 1.00 0.00 C ATOM 1511 CD PRO A 805 12.546 10.264 1.831 1.00 0.00 C ATOM 1512 HA PRO A 805 10.743 10.487 -0.763 1.00 0.00 H ATOM 1513 HD3 PRO A 805 13.478 10.758 2.106 1.00 0.00 H ATOM 1514 HD2 PRO A 805 12.457 9.327 2.381 1.00 0.00 H ATOM 1515 HG3 PRO A 805 10.480 10.560 2.310 1.00 0.00 H ATOM 1516 HG2 PRO A 805 11.570 11.822 2.929 1.00 0.00 H ATOM 1517 HB2 PRO A 805 11.799 12.830 0.843 1.00 0.00 H ATOM 1518 HB3 PRO A 805 10.126 12.233 0.731 1.00 0.00 H ATOM 1519 N GLU A 806 13.526 11.386 -1.704 1.00 0.00 N ATOM 1520 CA GLU A 806 14.301 12.014 -2.749 1.00 0.00 C ATOM 1521 C GLU A 806 14.205 11.180 -4.021 1.00 0.00 C ATOM 1522 O GLU A 806 14.167 11.714 -5.130 1.00 0.00 O ATOM 1523 CB GLU A 806 15.744 12.134 -2.282 1.00 0.00 C ATOM 1524 CG GLU A 806 16.700 11.486 -3.232 1.00 0.00 C ATOM 1525 CD GLU A 806 18.154 11.773 -2.910 1.00 0.00 C ATOM 1526 OE1 GLU A 806 18.717 11.076 -2.041 1.00 0.00 O ATOM 1527 OE2 GLU A 806 18.728 12.694 -3.528 1.00 0.00 O ATOM 1528 HA GLU A 806 13.916 13.011 -2.965 1.00 0.00 H ATOM 1529 HB2 GLU A 806 15.998 13.190 -2.193 1.00 0.00 H ATOM 1530 HB3 GLU A 806 15.839 11.656 -1.307 1.00 0.00 H ATOM 1531 HG2 GLU A 806 16.544 10.408 -3.198 1.00 0.00 H ATOM 1532 HG3 GLU A 806 16.490 11.851 -4.237 1.00 0.00 H ATOM 1533 H GLU A 806 13.957 10.611 -1.160 1.00 0.00 H ATOM 1534 N SER A 807 14.165 9.861 -3.844 1.00 0.00 N ATOM 1535 CA SER A 807 14.061 8.941 -4.967 1.00 0.00 C ATOM 1536 C SER A 807 12.776 9.195 -5.737 1.00 0.00 C ATOM 1537 O SER A 807 11.932 9.982 -5.310 1.00 0.00 O ATOM 1538 CB SER A 807 14.100 7.490 -4.484 1.00 0.00 C ATOM 1539 OG SER A 807 15.407 7.123 -4.080 1.00 0.00 O ATOM 1540 HA SER A 807 14.912 9.111 -5.627 1.00 0.00 H ATOM 1541 HB2 SER A 807 13.781 6.836 -5.295 1.00 0.00 H ATOM 1542 HB3 SER A 807 13.421 7.377 -3.639 1.00 0.00 H ATOM 1543 HG SER A 807 15.404 6.182 -3.773 1.00 0.00 H ATOM 1544 H SER A 807 14.209 9.478 -2.878 1.00 0.00 H ATOM 1545 N GLU A 808 12.630 8.526 -6.867 1.00 0.00 N ATOM 1546 CA GLU A 808 11.442 8.690 -7.688 1.00 0.00 C ATOM 1547 C GLU A 808 10.247 8.039 -7.038 1.00 0.00 C ATOM 1548 O GLU A 808 9.153 8.601 -6.997 1.00 0.00 O ATOM 1549 CB GLU A 808 11.601 8.014 -9.048 1.00 0.00 C ATOM 1550 CG GLU A 808 13.020 7.692 -9.459 1.00 0.00 C ATOM 1551 CD GLU A 808 13.977 8.857 -9.274 1.00 0.00 C ATOM 1552 OE1 GLU A 808 13.909 9.813 -10.074 1.00 0.00 O ATOM 1553 OE2 GLU A 808 14.794 8.814 -8.331 1.00 0.00 O ATOM 1554 HA GLU A 808 11.301 9.765 -7.803 1.00 0.00 H ATOM 1555 HB2 GLU A 808 11.039 7.081 -9.026 1.00 0.00 H ATOM 1556 HB3 GLU A 808 11.175 8.675 -9.803 1.00 0.00 H ATOM 1557 HG2 GLU A 808 13.373 6.854 -8.858 1.00 0.00 H ATOM 1558 HG3 GLU A 808 13.020 7.407 -10.511 1.00 0.00 H ATOM 1559 H GLU A 808 13.377 7.871 -7.174 1.00 0.00 H ATOM 1560 N TYR A 809 10.478 6.847 -6.519 1.00 0.00 N ATOM 1561 CA TYR A 809 9.404 6.050 -5.955 1.00 0.00 C ATOM 1562 C TYR A 809 8.800 6.621 -4.676 1.00 0.00 C ATOM 1563 O TYR A 809 7.586 6.784 -4.596 1.00 0.00 O ATOM 1564 CB TYR A 809 9.861 4.639 -5.702 1.00 0.00 C ATOM 1565 CG TYR A 809 11.061 4.218 -6.501 1.00 0.00 C ATOM 1566 CD1 TYR A 809 11.302 4.615 -7.801 1.00 0.00 C ATOM 1567 CD2 TYR A 809 11.964 3.425 -5.904 1.00 0.00 C ATOM 1568 CE1 TYR A 809 12.443 4.199 -8.460 1.00 0.00 C ATOM 1569 CE2 TYR A 809 13.088 3.002 -6.522 1.00 0.00 C ATOM 1570 CZ TYR A 809 13.335 3.390 -7.816 1.00 0.00 C ATOM 1571 OH TYR A 809 14.461 2.970 -8.473 1.00 0.00 O ATOM 1572 HA TYR A 809 8.616 6.067 -6.707 1.00 0.00 H ATOM 1573 HB3 TYR A 809 9.038 3.966 -5.944 1.00 0.00 H ATOM 1574 HB2 TYR A 809 10.107 4.545 -4.644 1.00 0.00 H ATOM 1575 HD2 TYR A 809 11.783 3.109 -4.877 1.00 0.00 H ATOM 1576 HE2 TYR A 809 13.794 2.358 -5.998 1.00 0.00 H ATOM 1577 HE1 TYR A 809 12.630 4.514 -9.487 1.00 0.00 H ATOM 1578 HD1 TYR A 809 10.587 5.261 -8.311 1.00 0.00 H ATOM 1579 HH TYR A 809 14.463 1.981 -8.523 1.00 0.00 H ATOM 1580 H TYR A 809 11.448 6.472 -6.514 1.00 0.00 H ATOM 1581 N TYR A 810 9.627 6.887 -3.665 1.00 0.00 N ATOM 1582 CA TYR A 810 9.110 7.404 -2.393 1.00 0.00 C ATOM 1583 C TYR A 810 8.019 8.446 -2.609 1.00 0.00 C ATOM 1584 O TYR A 810 6.895 8.279 -2.143 1.00 0.00 O ATOM 1585 CB TYR A 810 10.224 8.008 -1.540 1.00 0.00 C ATOM 1586 CG TYR A 810 9.843 8.158 -0.082 1.00 0.00 C ATOM 1587 CD1 TYR A 810 8.648 8.730 0.283 1.00 0.00 C ATOM 1588 CD2 TYR A 810 10.676 7.717 0.919 1.00 0.00 C ATOM 1589 CE1 TYR A 810 8.291 8.859 1.608 1.00 0.00 C ATOM 1590 CE2 TYR A 810 10.338 7.840 2.250 1.00 0.00 C ATOM 1591 CZ TYR A 810 9.140 8.413 2.591 1.00 0.00 C ATOM 1592 OH TYR A 810 8.787 8.540 3.915 1.00 0.00 O ATOM 1593 HA TYR A 810 8.681 6.552 -1.865 1.00 0.00 H ATOM 1594 HB3 TYR A 810 10.470 8.993 -1.937 1.00 0.00 H ATOM 1595 HB2 TYR A 810 11.100 7.362 -1.605 1.00 0.00 H ATOM 1596 HD2 TYR A 810 11.628 7.258 0.653 1.00 0.00 H ATOM 1597 HE2 TYR A 810 11.018 7.485 3.025 1.00 0.00 H ATOM 1598 HE1 TYR A 810 7.337 9.314 1.875 1.00 0.00 H ATOM 1599 HD1 TYR A 810 7.969 9.089 -0.491 1.00 0.00 H ATOM 1600 HH TYR A 810 8.750 7.643 4.333 1.00 0.00 H ATOM 1601 H TYR A 810 10.648 6.727 -3.779 1.00 0.00 H ATOM 1602 N LYS A 811 8.345 9.527 -3.289 1.00 0.00 N ATOM 1603 CA LYS A 811 7.355 10.564 -3.546 1.00 0.00 C ATOM 1604 C LYS A 811 6.190 9.967 -4.300 1.00 0.00 C ATOM 1605 O LYS A 811 5.039 10.297 -4.043 1.00 0.00 O ATOM 1606 CB LYS A 811 7.949 11.698 -4.361 1.00 0.00 C ATOM 1607 CG LYS A 811 9.442 11.572 -4.574 1.00 0.00 C ATOM 1608 CD LYS A 811 9.912 12.460 -5.706 1.00 0.00 C ATOM 1609 CE LYS A 811 9.629 13.910 -5.388 1.00 0.00 C ATOM 1610 NZ LYS A 811 9.215 14.679 -6.594 1.00 0.00 N ATOM 1611 HA LYS A 811 7.021 10.965 -2.589 1.00 0.00 H ATOM 1612 HB2 LYS A 811 7.462 11.715 -5.336 1.00 0.00 H ATOM 1613 HB3 LYS A 811 7.752 12.636 -3.842 1.00 0.00 H ATOM 1614 HG2 LYS A 811 9.957 11.861 -3.658 1.00 0.00 H ATOM 1615 HG3 LYS A 811 9.681 10.536 -4.812 1.00 0.00 H ATOM 1616 HD2 LYS A 811 10.984 12.325 -5.847 1.00 0.00 H ATOM 1617 HD3 LYS A 811 9.389 12.184 -6.621 1.00 0.00 H ATOM 1618 HE2 LYS A 811 10.531 14.362 -4.976 1.00 0.00 H ATOM 1619 HE3 LYS A 811 8.829 13.958 -4.649 1.00 0.00 H ATOM 1620 HZ1 LYS A 811 9.975 14.645 -7.303 1.00 0.00 H ATOM 1621 HZ2 LYS A 811 8.350 14.260 -6.991 1.00 0.00 H ATOM 1622 HZ3 LYS A 811 9.032 15.667 -6.327 1.00 0.00 H ATOM 1623 H LYS A 811 9.316 9.640 -3.644 1.00 0.00 H ATOM 1624 N CYS A 812 6.507 9.094 -5.241 1.00 0.00 N ATOM 1625 CA CYS A 812 5.492 8.419 -6.027 1.00 0.00 C ATOM 1626 C CYS A 812 4.572 7.629 -5.110 1.00 0.00 C ATOM 1627 O CYS A 812 3.443 7.320 -5.464 1.00 0.00 O ATOM 1628 CB CYS A 812 6.150 7.487 -7.040 1.00 0.00 C ATOM 1629 SG CYS A 812 6.664 8.296 -8.573 1.00 0.00 S ATOM 1630 HA CYS A 812 4.904 9.163 -6.565 1.00 0.00 H ATOM 1631 HB2 CYS A 812 5.440 6.699 -7.291 1.00 0.00 H ATOM 1632 HB3 CYS A 812 7.031 7.045 -6.575 1.00 0.00 H ATOM 1633 HG CYS A 812 5.561 8.850 -9.191 1.00 0.00 H ATOM 1634 H CYS A 812 7.510 8.886 -5.422 1.00 0.00 H ATOM 1635 N ALA A 813 5.069 7.309 -3.926 1.00 0.00 N ATOM 1636 CA ALA A 813 4.291 6.569 -2.947 1.00 0.00 C ATOM 1637 C ALA A 813 3.287 7.498 -2.292 1.00 0.00 C ATOM 1638 O ALA A 813 2.105 7.203 -2.231 1.00 0.00 O ATOM 1639 CB ALA A 813 5.212 5.948 -1.914 1.00 0.00 C ATOM 1640 HA ALA A 813 3.748 5.764 -3.443 1.00 0.00 H ATOM 1641 HB1 ALA A 813 5.906 5.269 -2.409 1.00 0.00 H ATOM 1642 HB2 ALA A 813 5.771 6.735 -1.408 1.00 0.00 H ATOM 1643 HB3 ALA A 813 4.619 5.396 -1.185 1.00 0.00 H ATOM 1644 H ALA A 813 6.041 7.594 -3.690 1.00 0.00 H ATOM 1645 N ASN A 814 3.790 8.623 -1.811 1.00 0.00 N ATOM 1646 CA ASN A 814 2.981 9.649 -1.184 1.00 0.00 C ATOM 1647 C ASN A 814 1.946 10.163 -2.172 1.00 0.00 C ATOM 1648 O ASN A 814 0.765 10.331 -1.862 1.00 0.00 O ATOM 1649 CB ASN A 814 3.899 10.794 -0.793 1.00 0.00 C ATOM 1650 CG ASN A 814 3.282 11.727 0.232 1.00 0.00 C ATOM 1651 OD1 ASN A 814 2.064 11.896 0.281 1.00 0.00 O ATOM 1652 ND2 ASN A 814 4.124 12.340 1.055 1.00 0.00 N ATOM 1653 HA ASN A 814 2.471 9.243 -0.311 1.00 0.00 H ATOM 1654 HB2 ASN A 814 4.816 10.377 -0.376 1.00 0.00 H ATOM 1655 HB3 ASN A 814 4.137 11.369 -1.688 1.00 0.00 H ATOM 1656 HD22 ASN A 814 5.146 12.167 0.977 1.00 0.00 H ATOM 1657 HD21 ASN A 814 3.761 12.994 1.778 1.00 0.00 H ATOM 1658 H ASN A 814 4.816 8.779 -1.886 1.00 0.00 H ATOM 1659 N ILE A 815 2.440 10.385 -3.373 1.00 0.00 N ATOM 1660 CA ILE A 815 1.658 10.894 -4.481 1.00 0.00 C ATOM 1661 C ILE A 815 0.556 9.928 -4.841 1.00 0.00 C ATOM 1662 O ILE A 815 -0.621 10.280 -4.850 1.00 0.00 O ATOM 1663 CB ILE A 815 2.563 11.139 -5.682 1.00 0.00 C ATOM 1664 CG1 ILE A 815 3.314 12.439 -5.468 1.00 0.00 C ATOM 1665 CG2 ILE A 815 1.774 11.159 -6.974 1.00 0.00 C ATOM 1666 CD1 ILE A 815 4.619 12.485 -6.191 1.00 0.00 C ATOM 1667 HA ILE A 815 1.200 11.837 -4.184 1.00 0.00 H ATOM 1668 HB ILE A 815 3.278 10.321 -5.770 1.00 0.00 H ATOM 1669 HG12 ILE A 815 2.692 13.262 -5.821 1.00 0.00 H ATOM 1670 HG13 ILE A 815 3.503 12.560 -4.401 1.00 0.00 H ATOM 1671 HD11 ILE A 815 5.256 11.673 -5.841 1.00 0.00 H ATOM 1672 HD12 ILE A 815 4.444 12.376 -7.261 1.00 0.00 H ATOM 1673 HD13 ILE A 815 5.107 13.440 -5.997 1.00 0.00 H ATOM 1674 HG21 ILE A 815 1.273 10.200 -7.107 1.00 0.00 H ATOM 1675 HG22 ILE A 815 1.031 11.955 -6.932 1.00 0.00 H ATOM 1676 HG23 ILE A 815 2.452 11.336 -7.809 1.00 0.00 H ATOM 1677 H ILE A 815 3.447 10.184 -3.535 1.00 0.00 H ATOM 1678 N LEU A 816 0.954 8.713 -5.166 1.00 0.00 N ATOM 1679 CA LEU A 816 0.005 7.674 -5.485 1.00 0.00 C ATOM 1680 C LEU A 816 -0.972 7.558 -4.338 1.00 0.00 C ATOM 1681 O LEU A 816 -2.169 7.700 -4.508 1.00 0.00 O ATOM 1682 CB LEU A 816 0.733 6.355 -5.680 1.00 0.00 C ATOM 1683 CG LEU A 816 0.072 5.374 -6.616 1.00 0.00 C ATOM 1684 CD1 LEU A 816 0.868 4.109 -6.659 1.00 0.00 C ATOM 1685 CD2 LEU A 816 -1.330 5.124 -6.178 1.00 0.00 C ATOM 1686 HA LEU A 816 -0.525 7.917 -6.406 1.00 0.00 H ATOM 1687 HB2 LEU A 816 1.726 6.575 -6.072 1.00 0.00 H ATOM 1688 HB3 LEU A 816 0.827 5.877 -4.705 1.00 0.00 H ATOM 1689 HG LEU A 816 0.038 5.788 -7.624 1.00 0.00 H ATOM 1690 HD21 LEU A 816 -1.326 4.713 -5.168 1.00 0.00 H ATOM 1691 HD22 LEU A 816 -1.885 6.062 -6.188 1.00 0.00 H ATOM 1692 HD23 LEU A 816 -1.801 4.415 -6.859 1.00 0.00 H ATOM 1693 HD11 LEU A 816 1.875 4.327 -7.014 1.00 0.00 H ATOM 1694 HD12 LEU A 816 0.919 3.679 -5.659 1.00 0.00 H ATOM 1695 HD13 LEU A 816 0.388 3.402 -7.336 1.00 0.00 H ATOM 1696 H LEU A 816 1.972 8.500 -5.193 1.00 0.00 H ATOM 1697 N GLU A 817 -0.423 7.329 -3.164 1.00 0.00 N ATOM 1698 CA GLU A 817 -1.204 7.205 -1.947 1.00 0.00 C ATOM 1699 C GLU A 817 -2.267 8.311 -1.868 1.00 0.00 C ATOM 1700 O GLU A 817 -3.317 8.147 -1.265 1.00 0.00 O ATOM 1701 CB GLU A 817 -0.258 7.295 -0.752 1.00 0.00 C ATOM 1702 CG GLU A 817 -0.884 6.874 0.567 1.00 0.00 C ATOM 1703 CD GLU A 817 -1.313 8.058 1.413 1.00 0.00 C ATOM 1704 OE1 GLU A 817 -2.414 8.595 1.169 1.00 0.00 O ATOM 1705 OE2 GLU A 817 -0.548 8.447 2.320 1.00 0.00 O ATOM 1706 HA GLU A 817 -1.721 6.245 -1.942 1.00 0.00 H ATOM 1707 HB2 GLU A 817 0.600 6.651 -0.945 1.00 0.00 H ATOM 1708 HB3 GLU A 817 0.078 8.328 -0.658 1.00 0.00 H ATOM 1709 HG2 GLU A 817 -1.759 6.259 0.358 1.00 0.00 H ATOM 1710 HG3 GLU A 817 -0.156 6.289 1.129 1.00 0.00 H ATOM 1711 H GLU A 817 0.611 7.233 -3.106 1.00 0.00 H ATOM 1712 N LYS A 818 -1.966 9.446 -2.474 1.00 0.00 N ATOM 1713 CA LYS A 818 -2.856 10.576 -2.517 1.00 0.00 C ATOM 1714 C LYS A 818 -3.925 10.391 -3.606 1.00 0.00 C ATOM 1715 O LYS A 818 -5.123 10.486 -3.328 1.00 0.00 O ATOM 1716 CB LYS A 818 -1.963 11.758 -2.731 1.00 0.00 C ATOM 1717 CG LYS A 818 -2.415 12.675 -3.796 1.00 0.00 C ATOM 1718 CD LYS A 818 -1.235 13.400 -4.413 1.00 0.00 C ATOM 1719 CE LYS A 818 -1.287 13.331 -5.924 1.00 0.00 C ATOM 1720 NZ LYS A 818 -2.516 13.970 -6.470 1.00 0.00 N ATOM 1721 HA LYS A 818 -3.435 10.705 -1.602 1.00 0.00 H ATOM 1722 HB2 LYS A 818 -1.908 12.319 -1.798 1.00 0.00 H ATOM 1723 HB3 LYS A 818 -0.970 11.393 -2.993 1.00 0.00 H ATOM 1724 HG2 LYS A 818 -2.928 12.102 -4.569 1.00 0.00 H ATOM 1725 HG3 LYS A 818 -3.103 13.406 -3.371 1.00 0.00 H ATOM 1726 HD2 LYS A 818 -1.256 14.445 -4.102 1.00 0.00 H ATOM 1727 HD3 LYS A 818 -0.311 12.938 -4.066 1.00 0.00 H ATOM 1728 HE2 LYS A 818 -1.269 12.285 -6.230 1.00 0.00 H ATOM 1729 HE3 LYS A 818 -0.414 13.842 -6.330 1.00 0.00 H ATOM 1730 HZ1 LYS A 818 -3.355 13.484 -6.093 1.00 0.00 H ATOM 1731 HZ2 LYS A 818 -2.539 14.971 -6.189 1.00 0.00 H ATOM 1732 HZ3 LYS A 818 -2.510 13.900 -7.508 1.00 0.00 H ATOM 1733 H LYS A 818 -1.041 9.527 -2.943 1.00 0.00 H ATOM 1734 N PHE A 819 -3.491 10.128 -4.841 1.00 0.00 N ATOM 1735 CA PHE A 819 -4.419 9.877 -5.944 1.00 0.00 C ATOM 1736 C PHE A 819 -5.299 8.713 -5.534 1.00 0.00 C ATOM 1737 O PHE A 819 -6.528 8.796 -5.533 1.00 0.00 O ATOM 1738 CB PHE A 819 -3.612 9.551 -7.210 1.00 0.00 C ATOM 1739 CG PHE A 819 -4.336 8.792 -8.305 1.00 0.00 C ATOM 1740 CD1 PHE A 819 -4.788 7.492 -8.107 1.00 0.00 C ATOM 1741 CD2 PHE A 819 -4.515 9.364 -9.554 1.00 0.00 C ATOM 1742 CE1 PHE A 819 -5.395 6.787 -9.108 1.00 0.00 C ATOM 1743 CE2 PHE A 819 -5.136 8.660 -10.571 1.00 0.00 C ATOM 1744 CZ PHE A 819 -5.574 7.368 -10.348 1.00 0.00 C ATOM 1745 HA PHE A 819 -5.041 10.746 -6.159 1.00 0.00 H ATOM 1746 HB2 PHE A 819 -3.268 10.494 -7.634 1.00 0.00 H ATOM 1747 HB3 PHE A 819 -2.751 8.954 -6.908 1.00 0.00 H ATOM 1748 HD2 PHE A 819 -4.163 10.379 -9.738 1.00 0.00 H ATOM 1749 HE2 PHE A 819 -5.280 9.124 -11.547 1.00 0.00 H ATOM 1750 HZ PHE A 819 -6.059 6.809 -11.148 1.00 0.00 H ATOM 1751 HE1 PHE A 819 -5.737 5.768 -8.928 1.00 0.00 H ATOM 1752 HD1 PHE A 819 -4.655 7.025 -7.131 1.00 0.00 H ATOM 1753 H PHE A 819 -2.468 10.101 -5.024 1.00 0.00 H ATOM 1754 N PHE A 820 -4.626 7.616 -5.219 1.00 0.00 N ATOM 1755 CA PHE A 820 -5.261 6.417 -4.731 1.00 0.00 C ATOM 1756 C PHE A 820 -6.281 6.802 -3.691 1.00 0.00 C ATOM 1757 O PHE A 820 -7.415 6.359 -3.767 1.00 0.00 O ATOM 1758 CB PHE A 820 -4.182 5.476 -4.207 1.00 0.00 C ATOM 1759 CG PHE A 820 -4.438 4.809 -2.906 1.00 0.00 C ATOM 1760 CD1 PHE A 820 -4.037 5.338 -1.706 1.00 0.00 C ATOM 1761 CD2 PHE A 820 -5.012 3.598 -2.918 1.00 0.00 C ATOM 1762 CE1 PHE A 820 -4.242 4.635 -0.532 1.00 0.00 C ATOM 1763 CE2 PHE A 820 -5.207 2.887 -1.787 1.00 0.00 C ATOM 1764 CZ PHE A 820 -4.831 3.394 -0.581 1.00 0.00 C ATOM 1765 HA PHE A 820 -5.795 5.885 -5.519 1.00 0.00 H ATOM 1766 HB2 PHE A 820 -4.037 4.695 -4.953 1.00 0.00 H ATOM 1767 HB3 PHE A 820 -3.264 6.054 -4.104 1.00 0.00 H ATOM 1768 HD2 PHE A 820 -5.331 3.174 -3.870 1.00 0.00 H ATOM 1769 HE2 PHE A 820 -5.668 1.901 -1.840 1.00 0.00 H ATOM 1770 HZ PHE A 820 -4.995 2.824 0.333 1.00 0.00 H ATOM 1771 HE1 PHE A 820 -3.939 5.062 0.424 1.00 0.00 H ATOM 1772 HD1 PHE A 820 -3.555 6.315 -1.677 1.00 0.00 H ATOM 1773 H PHE A 820 -3.592 7.620 -5.329 1.00 0.00 H ATOM 1774 N PHE A 821 -5.898 7.688 -2.767 1.00 0.00 N ATOM 1775 CA PHE A 821 -6.825 8.133 -1.737 1.00 0.00 C ATOM 1776 C PHE A 821 -8.100 8.694 -2.333 1.00 0.00 C ATOM 1777 O PHE A 821 -9.181 8.479 -1.796 1.00 0.00 O ATOM 1778 CB PHE A 821 -6.172 9.115 -0.779 1.00 0.00 C ATOM 1779 CG PHE A 821 -5.997 8.483 0.562 1.00 0.00 C ATOM 1780 CD1 PHE A 821 -5.239 7.351 0.645 1.00 0.00 C ATOM 1781 CD2 PHE A 821 -6.642 8.946 1.696 1.00 0.00 C ATOM 1782 CE1 PHE A 821 -5.096 6.663 1.824 1.00 0.00 C ATOM 1783 CE2 PHE A 821 -6.497 8.278 2.902 1.00 0.00 C ATOM 1784 CZ PHE A 821 -5.723 7.128 2.965 1.00 0.00 C ATOM 1785 HA PHE A 821 -7.103 7.254 -1.155 1.00 0.00 H ATOM 1786 HB2 PHE A 821 -5.198 9.407 -1.170 1.00 0.00 H ATOM 1787 HB3 PHE A 821 -6.803 9.999 -0.682 1.00 0.00 H ATOM 1788 HD2 PHE A 821 -7.266 9.838 1.640 1.00 0.00 H ATOM 1789 HE2 PHE A 821 -6.990 8.655 3.798 1.00 0.00 H ATOM 1790 HZ PHE A 821 -5.610 6.594 3.909 1.00 0.00 H ATOM 1791 HE1 PHE A 821 -4.492 5.756 1.860 1.00 0.00 H ATOM 1792 HD1 PHE A 821 -4.734 6.984 -0.248 1.00 0.00 H ATOM 1793 H PHE A 821 -4.928 8.063 -2.784 1.00 0.00 H ATOM 1794 N SER A 822 -7.983 9.397 -3.444 1.00 0.00 N ATOM 1795 CA SER A 822 -9.156 9.950 -4.101 1.00 0.00 C ATOM 1796 C SER A 822 -9.981 8.835 -4.745 1.00 0.00 C ATOM 1797 O SER A 822 -11.185 8.973 -4.925 1.00 0.00 O ATOM 1798 CB SER A 822 -8.744 10.978 -5.156 1.00 0.00 C ATOM 1799 OG SER A 822 -9.877 11.505 -5.826 1.00 0.00 O ATOM 1800 HA SER A 822 -9.768 10.449 -3.350 1.00 0.00 H ATOM 1801 HB2 SER A 822 -8.091 10.498 -5.885 1.00 0.00 H ATOM 1802 HB3 SER A 822 -8.207 11.792 -4.669 1.00 0.00 H ATOM 1803 HG SER A 822 -10.366 10.770 -6.274 1.00 0.00 H ATOM 1804 H SER A 822 -7.041 9.557 -3.854 1.00 0.00 H ATOM 1805 N LYS A 823 -9.315 7.727 -5.069 1.00 0.00 N ATOM 1806 CA LYS A 823 -9.957 6.571 -5.711 1.00 0.00 C ATOM 1807 C LYS A 823 -10.683 5.679 -4.720 1.00 0.00 C ATOM 1808 O LYS A 823 -11.756 5.151 -5.007 1.00 0.00 O ATOM 1809 CB LYS A 823 -8.895 5.748 -6.437 1.00 0.00 C ATOM 1810 CG LYS A 823 -8.151 6.504 -7.509 1.00 0.00 C ATOM 1811 CD LYS A 823 -9.102 7.189 -8.462 1.00 0.00 C ATOM 1812 CE LYS A 823 -8.489 8.419 -9.088 1.00 0.00 C ATOM 1813 NZ LYS A 823 -9.514 9.291 -9.726 1.00 0.00 N ATOM 1814 HA LYS A 823 -10.700 6.957 -6.409 1.00 0.00 H ATOM 1815 HB2 LYS A 823 -8.171 5.398 -5.701 1.00 0.00 H ATOM 1816 HB3 LYS A 823 -9.384 4.891 -6.900 1.00 0.00 H ATOM 1817 HG2 LYS A 823 -7.517 7.256 -7.038 1.00 0.00 H ATOM 1818 HG3 LYS A 823 -7.529 5.806 -8.069 1.00 0.00 H ATOM 1819 HD2 LYS A 823 -9.373 6.489 -9.253 1.00 0.00 H ATOM 1820 HD3 LYS A 823 -9.998 7.482 -7.915 1.00 0.00 H ATOM 1821 HE2 LYS A 823 -7.771 8.107 -9.846 1.00 0.00 H ATOM 1822 HE3 LYS A 823 -7.974 8.989 -8.314 1.00 0.00 H ATOM 1823 HZ1 LYS A 823 -10.006 8.758 -10.471 1.00 0.00 H ATOM 1824 HZ2 LYS A 823 -10.200 9.599 -9.008 1.00 0.00 H ATOM 1825 HZ3 LYS A 823 -9.049 10.123 -10.143 1.00 0.00 H ATOM 1826 H LYS A 823 -8.298 7.678 -4.859 1.00 0.00 H ATOM 1827 N ILE A 824 -10.092 5.511 -3.563 1.00 0.00 N ATOM 1828 CA ILE A 824 -10.674 4.687 -2.524 1.00 0.00 C ATOM 1829 C ILE A 824 -11.838 5.446 -1.940 1.00 0.00 C ATOM 1830 O ILE A 824 -12.941 4.935 -1.803 1.00 0.00 O ATOM 1831 CB ILE A 824 -9.664 4.408 -1.428 1.00 0.00 C ATOM 1832 CG1 ILE A 824 -8.614 5.456 -1.453 1.00 0.00 C ATOM 1833 CG2 ILE A 824 -9.039 3.055 -1.605 1.00 0.00 C ATOM 1834 CD1 ILE A 824 -7.438 5.158 -0.600 1.00 0.00 C ATOM 1835 HA ILE A 824 -10.991 3.733 -2.946 1.00 0.00 H ATOM 1836 HB ILE A 824 -10.177 4.421 -0.467 1.00 0.00 H ATOM 1837 HG12 ILE A 824 -8.271 5.572 -2.481 1.00 0.00 H ATOM 1838 HG13 ILE A 824 -9.056 6.392 -1.111 1.00 0.00 H ATOM 1839 HD11 ILE A 824 -7.760 5.051 0.436 1.00 0.00 H ATOM 1840 HD12 ILE A 824 -6.973 4.231 -0.935 1.00 0.00 H ATOM 1841 HD13 ILE A 824 -6.719 5.974 -0.676 1.00 0.00 H ATOM 1842 HG21 ILE A 824 -9.815 2.290 -1.569 1.00 0.00 H ATOM 1843 HG22 ILE A 824 -8.531 3.014 -2.568 1.00 0.00 H ATOM 1844 HG23 ILE A 824 -8.319 2.881 -0.805 1.00 0.00 H ATOM 1845 H ILE A 824 -9.182 5.981 -3.386 1.00 0.00 H ATOM 1846 N LYS A 825 -11.562 6.706 -1.647 1.00 0.00 N ATOM 1847 CA LYS A 825 -12.549 7.602 -1.089 1.00 0.00 C ATOM 1848 C LYS A 825 -13.781 7.577 -1.963 1.00 0.00 C ATOM 1849 O LYS A 825 -14.908 7.396 -1.503 1.00 0.00 O ATOM 1850 CB LYS A 825 -12.028 9.027 -1.058 1.00 0.00 C ATOM 1851 CG LYS A 825 -11.908 9.583 0.341 1.00 0.00 C ATOM 1852 CD LYS A 825 -11.361 10.987 0.337 1.00 0.00 C ATOM 1853 CE LYS A 825 -9.879 10.979 0.032 1.00 0.00 C ATOM 1854 NZ LYS A 825 -9.476 12.133 -0.819 1.00 0.00 N ATOM 1855 HA LYS A 825 -12.776 7.277 -0.074 1.00 0.00 H ATOM 1856 HB2 LYS A 825 -11.043 9.047 -1.525 1.00 0.00 H ATOM 1857 HB3 LYS A 825 -12.711 9.659 -1.625 1.00 0.00 H ATOM 1858 HG2 LYS A 825 -12.894 9.589 0.805 1.00 0.00 H ATOM 1859 HG3 LYS A 825 -11.240 8.945 0.919 1.00 0.00 H ATOM 1860 HD2 LYS A 825 -11.880 11.572 -0.422 1.00 0.00 H ATOM 1861 HD3 LYS A 825 -11.523 11.438 1.316 1.00 0.00 H ATOM 1862 HE2 LYS A 825 -9.632 10.054 -0.489 1.00 0.00 H ATOM 1863 HE3 LYS A 825 -9.326 11.024 0.970 1.00 0.00 H ATOM 1864 HZ1 LYS A 825 -9.993 12.095 -1.721 1.00 0.00 H ATOM 1865 HZ2 LYS A 825 -9.701 13.021 -0.326 1.00 0.00 H ATOM 1866 HZ3 LYS A 825 -8.453 12.087 -1.002 1.00 0.00 H ATOM 1867 H LYS A 825 -10.602 7.064 -1.824 1.00 0.00 H ATOM 1868 N GLU A 826 -13.516 7.770 -3.247 1.00 0.00 N ATOM 1869 CA GLU A 826 -14.542 7.787 -4.269 1.00 0.00 C ATOM 1870 C GLU A 826 -15.312 6.486 -4.262 1.00 0.00 C ATOM 1871 O GLU A 826 -16.526 6.463 -4.465 1.00 0.00 O ATOM 1872 CB GLU A 826 -13.893 8.008 -5.646 1.00 0.00 C ATOM 1873 CG GLU A 826 -13.769 6.749 -6.490 1.00 0.00 C ATOM 1874 CD GLU A 826 -15.051 6.396 -7.220 1.00 0.00 C ATOM 1875 OE1 GLU A 826 -15.443 7.153 -8.133 1.00 0.00 O ATOM 1876 OE2 GLU A 826 -15.662 5.361 -6.879 1.00 0.00 O ATOM 1877 HA GLU A 826 -15.236 8.602 -4.062 1.00 0.00 H ATOM 1878 HB2 GLU A 826 -14.497 8.730 -6.196 1.00 0.00 H ATOM 1879 HB3 GLU A 826 -12.894 8.415 -5.491 1.00 0.00 H ATOM 1880 HG2 GLU A 826 -12.980 6.901 -7.227 1.00 0.00 H ATOM 1881 HG3 GLU A 826 -13.500 5.918 -5.838 1.00 0.00 H ATOM 1882 H GLU A 826 -12.527 7.916 -3.534 1.00 0.00 H ATOM 1883 N ALA A 827 -14.592 5.404 -4.028 1.00 0.00 N ATOM 1884 CA ALA A 827 -15.195 4.090 -4.037 1.00 0.00 C ATOM 1885 C ALA A 827 -15.689 3.636 -2.664 1.00 0.00 C ATOM 1886 O ALA A 827 -15.899 2.445 -2.450 1.00 0.00 O ATOM 1887 CB ALA A 827 -14.206 3.099 -4.600 1.00 0.00 C ATOM 1888 HA ALA A 827 -16.083 4.143 -4.667 1.00 0.00 H ATOM 1889 HB1 ALA A 827 -13.941 3.389 -5.617 1.00 0.00 H ATOM 1890 HB2 ALA A 827 -13.310 3.089 -3.979 1.00 0.00 H ATOM 1891 HB3 ALA A 827 -14.654 2.106 -4.610 1.00 0.00 H ATOM 1892 H ALA A 827 -13.575 5.499 -3.834 1.00 0.00 H ATOM 1893 N GLY A 828 -15.894 4.573 -1.744 1.00 0.00 N ATOM 1894 CA GLY A 828 -16.373 4.208 -0.418 1.00 0.00 C ATOM 1895 C GLY A 828 -15.403 3.315 0.326 1.00 0.00 C ATOM 1896 O GLY A 828 -15.780 2.637 1.278 1.00 0.00 O ATOM 1897 HA3 GLY A 828 -17.322 3.683 -0.522 1.00 0.00 H ATOM 1898 HA2 GLY A 828 -16.525 5.119 0.162 1.00 0.00 H ATOM 1899 H GLY A 828 -15.712 5.571 -1.972 1.00 0.00 H ATOM 1900 N LEU A 829 -14.151 3.342 -0.101 1.00 0.00 N ATOM 1901 CA LEU A 829 -13.098 2.517 0.476 1.00 0.00 C ATOM 1902 C LEU A 829 -12.671 3.031 1.839 1.00 0.00 C ATOM 1903 O LEU A 829 -13.291 2.694 2.844 1.00 0.00 O ATOM 1904 CB LEU A 829 -11.942 2.489 -0.512 1.00 0.00 C ATOM 1905 CG LEU A 829 -12.332 1.920 -1.884 1.00 0.00 C ATOM 1906 CD1 LEU A 829 -11.190 1.229 -2.556 1.00 0.00 C ATOM 1907 CD2 LEU A 829 -13.507 0.957 -1.786 1.00 0.00 C ATOM 1908 HA LEU A 829 -13.462 1.504 0.645 1.00 0.00 H ATOM 1909 HB2 LEU A 829 -11.579 3.507 -0.650 1.00 0.00 H ATOM 1910 HB3 LEU A 829 -11.145 1.873 -0.095 1.00 0.00 H ATOM 1911 HG LEU A 829 -12.624 2.780 -2.487 1.00 0.00 H ATOM 1912 HD21 LEU A 829 -13.240 0.125 -1.134 1.00 0.00 H ATOM 1913 HD22 LEU A 829 -14.370 1.480 -1.375 1.00 0.00 H ATOM 1914 HD23 LEU A 829 -13.749 0.579 -2.779 1.00 0.00 H ATOM 1915 HD11 LEU A 829 -10.374 1.937 -2.703 1.00 0.00 H ATOM 1916 HD12 LEU A 829 -10.849 0.403 -1.932 1.00 0.00 H ATOM 1917 HD13 LEU A 829 -11.517 0.845 -3.522 1.00 0.00 H ATOM 1918 H LEU A 829 -13.907 3.981 -0.884 1.00 0.00 H ATOM 1919 N ILE A 830 -11.604 3.825 1.866 1.00 0.00 N ATOM 1920 CA ILE A 830 -11.102 4.419 3.093 1.00 0.00 C ATOM 1921 C ILE A 830 -12.149 4.474 4.190 1.00 0.00 C ATOM 1922 O ILE A 830 -13.243 5.007 3.996 1.00 0.00 O ATOM 1923 CB ILE A 830 -10.619 5.828 2.813 1.00 0.00 C ATOM 1924 CG1 ILE A 830 -10.570 6.016 1.321 1.00 0.00 C ATOM 1925 CG2 ILE A 830 -9.242 6.041 3.390 1.00 0.00 C ATOM 1926 CD1 ILE A 830 -9.742 7.177 0.893 1.00 0.00 C ATOM 1927 HA ILE A 830 -10.287 3.785 3.442 1.00 0.00 H ATOM 1928 HB ILE A 830 -11.298 6.546 3.272 1.00 0.00 H ATOM 1929 HG12 ILE A 830 -10.155 5.113 0.873 1.00 0.00 H ATOM 1930 HG13 ILE A 830 -11.587 6.166 0.959 1.00 0.00 H ATOM 1931 HD11 ILE A 830 -10.150 8.091 1.324 1.00 0.00 H ATOM 1932 HD12 ILE A 830 -8.717 7.038 1.238 1.00 0.00 H ATOM 1933 HD13 ILE A 830 -9.754 7.249 -0.195 1.00 0.00 H ATOM 1934 HG21 ILE A 830 -9.273 5.885 4.468 1.00 0.00 H ATOM 1935 HG22 ILE A 830 -8.547 5.332 2.939 1.00 0.00 H ATOM 1936 HG23 ILE A 830 -8.914 7.059 3.178 1.00 0.00 H ATOM 1937 H ILE A 830 -11.110 4.028 0.974 1.00 0.00 H ATOM 1938 N ASP A 831 -11.803 3.935 5.342 1.00 0.00 N ATOM 1939 CA ASP A 831 -12.721 3.914 6.472 1.00 0.00 C ATOM 1940 C ASP A 831 -11.981 3.637 7.778 1.00 0.00 C ATOM 1941 O ASP A 831 -12.353 4.149 8.834 1.00 0.00 O ATOM 1942 CB ASP A 831 -13.808 2.858 6.253 1.00 0.00 C ATOM 1943 CG ASP A 831 -14.769 2.766 7.422 1.00 0.00 C ATOM 1944 OD1 ASP A 831 -15.765 3.520 7.433 1.00 0.00 O ATOM 1945 OD2 ASP A 831 -14.526 1.940 8.327 1.00 0.00 O ATOM 1946 HA ASP A 831 -13.186 4.897 6.545 1.00 0.00 H ATOM 1947 HB2 ASP A 831 -14.371 3.116 5.356 1.00 0.00 H ATOM 1948 HB3 ASP A 831 -13.331 1.888 6.115 1.00 0.00 H ATOM 1949 H ASP A 831 -10.856 3.517 5.446 1.00 0.00 H ATOM 1950 N LYS A 832 -10.935 2.815 7.695 1.00 0.00 N ATOM 1951 CA LYS A 832 -10.131 2.458 8.860 1.00 0.00 C ATOM 1952 C LYS A 832 -9.774 3.692 9.690 1.00 0.00 C ATOM 1953 O LYS A 832 -8.855 4.435 9.287 1.00 0.00 O ATOM 1954 CB LYS A 832 -8.860 1.732 8.412 1.00 0.00 C ATOM 1955 CG LYS A 832 -8.098 2.456 7.310 1.00 0.00 C ATOM 1956 CD LYS A 832 -7.012 1.581 6.703 1.00 0.00 C ATOM 1957 CE LYS A 832 -5.919 1.261 7.710 1.00 0.00 C ATOM 1958 NZ LYS A 832 -5.268 2.493 8.235 1.00 0.00 N ATOM 1959 HA LYS A 832 -10.722 1.794 9.491 1.00 0.00 H ATOM 1960 OXT LYS A 832 -10.419 3.900 10.739 1.00 0.00 O ATOM 1961 HB2 LYS A 832 -8.201 1.627 9.274 1.00 0.00 H ATOM 1962 HB3 LYS A 832 -9.139 0.744 8.046 1.00 0.00 H ATOM 1963 HG2 LYS A 832 -8.799 2.743 6.526 1.00 0.00 H ATOM 1964 HG3 LYS A 832 -7.637 3.351 7.729 1.00 0.00 H ATOM 1965 HD2 LYS A 832 -7.460 0.649 6.359 1.00 0.00 H ATOM 1966 HD3 LYS A 832 -6.569 2.104 5.855 1.00 0.00 H ATOM 1967 HE2 LYS A 832 -5.164 0.642 7.226 1.00 0.00 H ATOM 1968 HE3 LYS A 832 -6.357 0.712 8.543 1.00 0.00 H ATOM 1969 HZ1 LYS A 832 -4.841 3.021 7.447 1.00 0.00 H ATOM 1970 HZ2 LYS A 832 -5.981 3.087 8.705 1.00 0.00 H ATOM 1971 HZ3 LYS A 832 -4.529 2.229 8.918 1.00 0.00 H ATOM 1972 H LYS A 832 -10.683 2.414 6.769 1.00 0.00 H TER 1973 LYS A 832 HETATM 1974 N SER A 1 10.295 6.462 -19.956 1.00 0.24 N HETATM 1975 CA SER A 1 9.927 7.079 -18.656 1.00 0.09 C HETATM 1976 C SER A 1 9.549 6.011 -17.635 1.00 0.23 C HETATM 1977 O SER A 1 8.843 6.288 -16.665 1.00 -0.39 O HETATM 1978 N SER A 1 10.026 4.791 -17.859 1.00 -0.26 N HETATM 1979 CA SER A 1 9.739 3.679 -16.961 1.00 0.16 C HETATM 1980 C SER A 1 11.020 3.140 -16.332 1.00 0.21 C HETATM 1981 O SER A 1 11.830 2.501 -17.003 1.00 -0.39 O HETATM 1982 N SER A 1 11.196 3.404 -15.041 1.00 -0.27 N HETATM 1983 CA SER A 1 12.380 2.938 -14.342 1.00 0.12 C HETATM 1984 C SER A 1 12.458 1.425 -14.279 1.00 0.20 C HETATM 1985 O SER A 1 11.436 0.750 -14.148 1.00 -0.39 O HETATM 1986 N SER A 1 13.672 0.893 -14.374 1.00 -0.27 N HETATM 1987 CA SER A 1 13.859 -0.545 -14.326 1.00 0.12 C HETATM 1988 C SER A 1 14.465 -1.008 -13.016 1.00 0.20 C HETATM 1989 O SER A 1 14.090 -2.054 -12.489 1.00 -0.39 O HETATM 1990 N SER A 1 15.401 -0.224 -12.491 1.00 -0.26 N HETATM 1991 CA SER A 1 16.063 -0.559 -11.234 1.00 0.13 C HETATM 1992 C SER A 1 15.240 -0.100 -10.040 1.00 0.20 C HETATM 1993 O SER A 1 14.144 0.438 -10.199 1.00 -0.39 O HETATM 1994 N SER A 1 15.776 -0.313 -8.841 1.00 -0.26 N HETATM 1995 CA SER A 1 15.096 0.107 -7.627 1.00 0.13 C HETATM 1996 CB SER A 1 14.751 -1.090 -6.726 1.00 -0.01 C HETATM 1997 CG SER A 1 13.986 -0.690 -5.494 1.00 -0.05 C HETATM 1998 CD SER A 1 12.675 -1.393 -5.446 1.00 -0.03 C HETATM 1999 CE SER A 1 11.914 -1.065 -4.176 1.00 0.03 C HETATM 2000 NZ SER A 1 10.470 -1.110 -4.376 1.00 -0.29 N HETATM 2001 CH SER A 1 9.757 -0.082 -4.817 1.00 0.17 C HETATM 2002 OH SER A 1 10.189 0.695 -5.669 1.00 -0.40 O HETATM 2003 CH3 SER A 1 8.362 0.150 -4.234 1.00 0.03 C HETATM 2004 H30 SER A 1 8.139 -0.632 -3.493 1.00 0.05 H HETATM 2005 H31 SER A 1 7.616 0.113 -5.042 1.00 0.05 H HETATM 2006 H32 SER A 1 8.327 1.136 -3.748 1.00 0.05 H HETATM 2007 H33 SER A 1 9.991 -1.963 -4.169 1.00 0.18 H HETATM 2008 H34 SER A 1 12.188 -1.795 -3.400 1.00 0.05 H HETATM 2009 H35 SER A 1 12.195 -0.054 -3.845 1.00 0.05 H HETATM 2010 H36 SER A 1 12.072 -1.085 -6.313 1.00 0.03 H HETATM 2011 H37 SER A 1 12.850 -2.478 -5.488 1.00 0.03 H HETATM 2012 H38 SER A 1 14.572 -0.955 -4.602 1.00 0.03 H HETATM 2013 H39 SER A 1 13.814 0.396 -5.511 1.00 0.03 H HETATM 2014 H40 SER A 1 14.141 -1.800 -7.303 1.00 0.03 H HETATM 2015 H41 SER A 1 15.687 -1.578 -6.416 1.00 0.03 H HETATM 2016 C SER A 1 15.930 1.141 -6.875 1.00 0.20 C HETATM 2017 O SER A 1 16.057 1.080 -5.653 1.00 -0.39 O HETATM 2018 N SER A 1 16.489 2.095 -7.638 1.00 -0.26 N HETATM 2019 CA SER A 1 17.311 3.175 -7.090 1.00 0.13 C HETATM 2020 C SER A 1 17.794 2.825 -5.687 1.00 0.21 C HETATM 2021 O SER A 1 17.417 3.471 -4.716 1.00 -0.39 O HETATM 2022 N SER A 1 18.642 1.780 -5.581 1.00 -0.25 N HETATM 2023 CA SER A 1 19.170 1.290 -4.317 1.00 0.13 C HETATM 2024 C SER A 1 19.224 2.359 -3.229 1.00 0.20 C HETATM 2025 O SER A 1 20.081 3.244 -3.254 1.00 -0.39 O HETATM 2026 N SER A 1 18.302 2.266 -2.279 1.00 -0.26 N HETATM 2027 CA SER A 1 18.228 3.227 -1.186 1.00 0.14 C HETATM 2028 C SER A 1 19.013 2.734 0.027 1.00 0.21 C HETATM 2029 O SER A 1 19.526 1.616 0.032 1.00 -0.39 O HETATM 2030 N SER A 1 19.099 3.578 1.052 1.00 -0.26 N HETATM 2031 CA SER A 1 19.823 3.229 2.270 1.00 0.13 C HETATM 2032 C SER A 1 19.020 3.616 3.510 1.00 0.20 C HETATM 2033 O SER A 1 19.255 4.664 4.113 1.00 -0.39 O HETATM 2034 N SER A 1 18.073 2.762 3.886 1.00 -0.26 N HETATM 2035 CA SER A 1 17.237 3.013 5.055 1.00 0.14 C HETATM 2036 C SER A 1 17.603 2.072 6.199 1.00 0.21 C HETATM 2037 O SER A 1 17.517 2.441 7.370 1.00 -0.39 O HETATM 2038 N SER A 1 18.015 0.858 5.852 1.00 -0.26 N HETATM 2039 CA SER A 1 18.394 -0.134 6.852 1.00 0.13 C HETATM 2040 C SER A 1 19.601 -0.942 6.382 1.00 0.20 C HETATM 2041 O SER A 1 19.473 -2.106 6.001 1.00 -0.39 O HETATM 2042 N SER A 1 20.772 -0.313 6.411 1.00 -0.27 N HETATM 2043 CA SER A 1 22.006 -0.968 5.990 1.00 0.10 C HETATM 2044 C SER A 1 22.384 -2.089 6.952 1.00 0.06 C HETATM 2045 O SER A 1 22.003 -3.249 6.687 1.00 -0.57 O HETATM 2046 OXT SER A 1 23.058 -1.799 7.963 1.00 -0.57 O HETATM 2047 CB SER A 1 23.144 0.051 5.902 1.00 0.03 C HETATM 2048 SG SER A 1 22.827 1.415 4.759 1.00 -0.17 S HETATM 2049 H110 SER A 1 23.618 2.040 4.756 1.00 0.10 H HETATM 2050 H108 SER A 1 24.052 -0.473 5.570 1.00 0.04 H HETATM 2051 H109 SER A 1 23.309 0.472 6.905 1.00 0.04 H HETATM 2052 H107 SER A 1 21.846 -1.403 4.992 1.00 0.07 H HETATM 2053 H106 SER A 1 20.808 0.634 6.730 1.00 0.19 H HETATM 2054 CB SER A 1 17.214 -1.064 7.147 1.00 -0.01 C HETATM 2055 CG SER A 1 17.453 -2.000 8.321 1.00 -0.04 C HETATM 2056 CD SER A 1 16.223 -2.843 8.619 1.00 -0.01 C HETATM 2057 CE SER A 1 16.464 -3.787 9.786 1.00 -0.04 C HETATM 2058 NZ SER A 1 16.848 -3.056 11.024 1.00 0.22 N HETATM 2059 H103 SER A 1 16.998 -3.716 11.771 1.00 0.20 H HETATM 2060 H104 SER A 1 16.110 -2.420 11.281 1.00 0.20 H HETATM 2061 H105 SER A 1 17.696 -2.537 10.858 1.00 0.20 H HETATM 2062 H101 SER A 1 17.273 -4.483 9.519 1.00 0.08 H HETATM 2063 H102 SER A 1 15.542 -4.354 9.980 1.00 0.08 H HETATM 2064 H99 SER A 1 15.970 -3.435 7.727 1.00 0.03 H HETATM 2065 H100 SER A 1 15.384 -2.176 8.866 1.00 0.03 H HETATM 2066 H97 SER A 1 17.701 -1.402 9.210 1.00 0.03 H HETATM 2067 H98 SER A 1 18.294 -2.667 8.081 1.00 0.03 H HETATM 2068 H95 SER A 1 17.019 -1.673 6.252 1.00 0.03 H HETATM 2069 H96 SER A 1 16.332 -0.446 7.370 1.00 0.03 H HETATM 2070 H94 SER A 1 18.666 0.392 7.779 1.00 0.08 H HETATM 2071 H93 SER A 1 18.067 0.618 4.883 1.00 0.19 H HETATM 2072 CB SER A 1 15.756 2.854 4.694 1.00 0.02 C HETATM 2073 CG SER A 1 14.826 2.904 5.887 1.00 -0.05 C HETATM 2074 CD1 SER A 1 14.774 4.017 6.717 1.00 -0.07 C HETATM 2075 CE1 SER A 1 13.921 4.053 7.806 1.00 -0.04 C HETATM 2076 CZ SER A 1 13.109 2.969 8.072 1.00 0.08 C HETATM 2077 CE2 SER A 1 13.147 1.856 7.260 1.00 -0.04 C HETATM 2078 CD2 SER A 1 14.002 1.831 6.180 1.00 -0.07 C HETATM 2079 H89 SER A 1 14.030 0.952 5.546 1.00 0.05 H HETATM 2080 H91 SER A 1 12.508 1.006 7.470 1.00 0.05 H HETATM 2081 OH SER A 1 12.258 2.999 9.153 1.00 -0.34 O HETATM 2082 H92 SER A 1 12.352 3.829 9.606 1.00 0.25 H HETATM 2083 H90 SER A 1 13.891 4.927 8.446 1.00 0.05 H HETATM 2084 H88 SER A 1 15.411 4.869 6.508 1.00 0.05 H HETATM 2085 H86 SER A 1 15.624 1.884 4.192 1.00 0.05 H HETATM 2086 H87 SER A 1 15.479 3.665 4.004 1.00 0.05 H HETATM 2087 H85 SER A 1 17.407 4.048 5.388 1.00 0.08 H HETATM 2088 H84 SER A 1 17.930 1.927 3.354 1.00 0.19 H HETATM 2089 CB SER A 1 21.187 3.925 2.295 1.00 -0.01 C HETATM 2090 CG SER A 1 22.074 3.580 1.110 1.00 -0.02 C HETATM 2091 CD SER A 1 22.536 2.132 1.157 1.00 0.06 C HETATM 2092 NE SER A 1 23.381 1.791 0.016 1.00 -0.27 N HETATM 2093 CZ SER A 1 24.378 0.911 0.071 1.00 0.29 C HETATM 2094 NH1 SER A 1 24.660 0.292 1.210 1.00 -0.28 N HETATM 2095 H80 SER A 1 25.432 -0.388 1.249 1.00 0.26 H HETATM 2096 H81 SER A 1 24.107 0.492 2.055 1.00 0.26 H HETATM 2097 NH2 SER A 1 25.096 0.652 -1.013 1.00 -0.28 N HETATM 2098 H82 SER A 1 24.881 1.130 -1.900 1.00 0.26 H HETATM 2099 H83 SER A 1 25.869 -0.027 -0.969 1.00 0.26 H HETATM 2100 H79 SER A 1 23.195 2.258 -0.883 1.00 0.26 H HETATM 2101 H77 SER A 1 21.652 1.477 1.153 1.00 0.07 H HETATM 2102 H78 SER A 1 23.108 1.971 2.083 1.00 0.07 H HETATM 2103 H75 SER A 1 22.957 4.236 1.122 1.00 0.03 H HETATM 2104 H76 SER A 1 21.508 3.744 0.181 1.00 0.03 H HETATM 2105 H73 SER A 1 21.710 3.630 3.217 1.00 0.03 H HETATM 2106 H74 SER A 1 21.021 5.012 2.299 1.00 0.03 H HETATM 2107 H72 SER A 1 19.982 2.141 2.281 1.00 0.08 H HETATM 2108 H71 SER A 1 18.657 4.473 0.986 1.00 0.19 H HETATM 2109 CB SER A 1 16.767 3.469 -0.801 1.00 0.01 C HETATM 2110 CG SER A 1 15.799 3.168 -1.906 1.00 -0.00 C HETATM 2111 ND1 SER A 1 15.191 1.943 -2.054 1.00 -0.33 N HETATM 2112 CE1 SER A 1 14.405 1.967 -3.115 1.00 0.09 C HETATM 2113 NE2 SER A 1 14.476 3.166 -3.658 1.00 -0.28 N HETATM 2114 CD2 SER A 1 15.340 3.936 -2.923 1.00 0.03 C HETATM 2115 H68 SER A 1 15.608 4.973 -3.120 1.00 0.07 H HETATM 2116 H70 SER A 1 13.966 3.474 -4.498 1.00 0.24 H HETATM 2117 H69 SER A 1 13.801 1.137 -3.479 1.00 0.12 H HETATM 2118 H66 SER A 1 16.652 4.525 -0.516 1.00 0.04 H HETATM 2119 H67 SER A 1 16.523 2.829 0.059 1.00 0.04 H HETATM 2120 H65 SER A 1 18.667 4.177 -1.524 1.00 0.08 H HETATM 2121 H64 SER A 1 17.641 1.517 -2.314 1.00 0.19 H HETATM 2122 CB SER A 1 20.571 0.857 -4.726 1.00 -0.01 C HETATM 2123 CG SER A 1 20.392 0.294 -6.099 1.00 -0.03 C HETATM 2124 CD SER A 1 19.197 1.000 -6.705 1.00 0.04 C HETATM 2125 H62 SER A 1 19.508 1.663 -7.526 1.00 0.05 H HETATM 2126 H63 SER A 1 18.461 0.273 -7.079 1.00 0.05 H HETATM 2127 H60 SER A 1 20.205 -0.789 -6.044 1.00 0.03 H HETATM 2128 H61 SER A 1 21.291 0.480 -6.706 1.00 0.03 H HETATM 2129 H58 SER A 1 20.960 0.092 -4.038 1.00 0.03 H HETATM 2130 H59 SER A 1 21.256 1.717 -4.743 1.00 0.03 H HETATM 2131 H57 SER A 1 18.579 0.438 -3.951 1.00 0.08 H HETATM 2132 CB SER A 1 16.528 4.504 -7.096 1.00 -0.01 C HETATM 2133 CG SER A 1 17.327 5.685 -6.565 1.00 -0.04 C HETATM 2134 CD SER A 1 16.657 7.007 -6.897 1.00 -0.01 C HETATM 2135 CE SER A 1 17.418 8.182 -6.304 1.00 -0.04 C HETATM 2136 NZ SER A 1 18.791 8.299 -6.871 1.00 0.22 N HETATM 2137 H54 SER A 1 19.261 9.087 -6.454 1.00 0.20 H HETATM 2138 H55 SER A 1 18.732 8.432 -7.868 1.00 0.20 H HETATM 2139 H56 SER A 1 19.309 7.457 -6.675 1.00 0.20 H HETATM 2140 H52 SER A 1 17.494 8.043 -5.215 1.00 0.08 H HETATM 2141 H53 SER A 1 16.865 9.108 -6.518 1.00 0.08 H HETATM 2142 H50 SER A 1 15.635 7.002 -6.491 1.00 0.03 H HETATM 2143 H51 SER A 1 16.616 7.123 -7.990 1.00 0.03 H HETATM 2144 H48 SER A 1 18.330 5.670 -7.017 1.00 0.03 H HETATM 2145 H49 SER A 1 17.415 5.594 -5.472 1.00 0.03 H HETATM 2146 H46 SER A 1 15.631 4.382 -6.471 1.00 0.03 H HETATM 2147 H47 SER A 1 16.227 4.725 -8.130 1.00 0.03 H HETATM 2148 H45 SER A 1 18.194 3.296 -7.734 1.00 0.08 H HETATM 2149 H44 SER A 1 16.337 2.066 -8.626 1.00 0.19 H HETATM 2150 H42 SER A 1 14.150 0.586 -7.921 1.00 0.08 H HETATM 2151 H43 SER A 1 16.663 -0.770 -8.774 1.00 0.19 H HETATM 2152 CB SER A 1 17.455 0.094 -11.142 1.00 -0.01 C HETATM 2153 CG1 SER A 1 18.276 -0.219 -12.384 1.00 -0.06 C HETATM 2154 H24 SER A 1 19.265 0.255 -12.299 1.00 0.02 H HETATM 2155 H25 SER A 1 17.758 0.169 -13.273 1.00 0.02 H HETATM 2156 H26 SER A 1 18.399 -1.308 -12.478 1.00 0.02 H HETATM 2157 CG2 SER A 1 17.325 1.602 -10.939 1.00 -0.06 C HETATM 2158 H27 SER A 1 16.728 1.800 -10.036 1.00 0.02 H HETATM 2159 H28 SER A 1 16.828 2.048 -11.813 1.00 0.02 H HETATM 2160 H29 SER A 1 18.326 2.044 -10.822 1.00 0.02 H HETATM 2161 H23 SER A 1 17.977 -0.327 -10.270 1.00 0.03 H HETATM 2162 H22 SER A 1 16.180 -1.652 -11.187 1.00 0.08 H HETATM 2163 H21 SER A 1 15.658 0.616 -12.969 1.00 0.19 H HETATM 2164 H19 SER A 1 14.527 -0.842 -15.148 1.00 0.08 H HETATM 2165 H20 SER A 1 12.881 -1.032 -14.454 1.00 0.08 H HETATM 2166 H18 SER A 1 14.466 1.491 -14.480 1.00 0.19 H HETATM 2167 H16 SER A 1 12.363 3.333 -13.316 1.00 0.08 H HETATM 2168 H17 SER A 1 13.271 3.316 -14.866 1.00 0.08 H HETATM 2169 H15 SER A 1 10.505 3.930 -14.546 1.00 0.19 H HETATM 2170 CB SER A 1 9.018 2.533 -17.695 1.00 0.09 C HETATM 2171 OG1 SER A 1 7.848 3.032 -18.353 1.00 -0.39 O HETATM 2172 H11 SER A 1 7.410 2.319 -18.802 1.00 0.21 H HETATM 2173 CG2 SER A 1 8.625 1.428 -16.725 1.00 -0.03 C HETATM 2174 H12 SER A 1 8.113 0.624 -17.273 1.00 0.03 H HETATM 2175 H13 SER A 1 7.950 1.836 -15.958 1.00 0.03 H HETATM 2176 H14 SER A 1 9.528 1.026 -16.242 1.00 0.03 H HETATM 2177 H10 SER A 1 9.700 2.114 -18.450 1.00 0.06 H HETATM 2178 H9 SER A 1 9.082 4.047 -16.159 1.00 0.08 H HETATM 2179 H8 SER A 1 10.597 4.632 -18.665 1.00 0.19 H HETATM 2180 CB SER A 1 8.762 8.051 -18.845 1.00 0.10 C HETATM 2181 OG SER A 1 9.101 9.083 -19.756 1.00 -0.39 O HETATM 2182 H7 SER A 1 8.362 9.672 -19.855 1.00 0.21 H HETATM 2183 H5 SER A 1 8.507 8.499 -17.873 1.00 0.06 H HETATM 2184 H6 SER A 1 7.893 7.500 -19.234 1.00 0.06 H HETATM 2185 H4 SER A 1 10.795 7.637 -18.275 1.00 0.11 H HETATM 2186 H1 SER A 1 10.540 7.185 -20.614 1.00 0.20 H HETATM 2187 H2 SER A 1 9.512 5.936 -20.312 1.00 0.20 H HETATM 2188 H3 SER A 1 11.082 5.846 -19.825 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1974 1975 2186 2187 2188 CONECT 1975 1974 1976 2180 2185 CONECT 1976 1975 1977 1978 CONECT 1977 1976 CONECT 1978 1976 1979 2179 CONECT 1979 1978 1980 2170 2178 CONECT 1980 1979 1981 1982 CONECT 1981 1980 CONECT 1982 1980 1983 2169 CONECT 1983 1982 1984 2167 2168 CONECT 1984 1983 1985 1986 CONECT 1985 1984 CONECT 1986 1984 1987 2166 CONECT 1987 1986 1988 2164 2165 CONECT 1988 1987 1989 1990 CONECT 1989 1988 CONECT 1990 1988 1991 2163 CONECT 1991 1990 1992 2152 2162 CONECT 1992 1991 1993 1994 CONECT 1993 1992 CONECT 1994 1992 1995 2151 CONECT 1995 1994 1996 2016 2150 CONECT 1996 1995 1997 2014 2015 CONECT 1997 1996 1998 2012 2013 CONECT 1998 1997 1999 2010 2011 CONECT 1999 1998 2000 2008 2009 CONECT 2000 1999 2001 2007 CONECT 2001 2000 2002 2003 CONECT 2002 2001 CONECT 2003 2001 2004 2005 2006 CONECT 2004 2003 CONECT 2005 2003 CONECT 2006 2003 CONECT 2007 2000 CONECT 2008 1999 CONECT 2009 1999 CONECT 2010 1998 CONECT 2011 1998 CONECT 2012 1997 CONECT 2013 1997 CONECT 2014 1996 CONECT 2015 1996 CONECT 2016 1995 2017 2018 CONECT 2017 2016 CONECT 2018 2016 2019 2149 CONECT 2019 2018 2020 2132 2148 CONECT 2020 2019 2021 2022 CONECT 2021 2020 CONECT 2022 2020 2023 2124 CONECT 2023 2022 2024 2122 2131 CONECT 2024 2023 2025 2026 CONECT 2025 2024 CONECT 2026 2024 2027 2121 CONECT 2027 2026 2028 2109 2120 CONECT 2028 2027 2029 2030 CONECT 2029 2028 CONECT 2030 2028 2031 2108 CONECT 2031 2030 2032 2089 2107 CONECT 2032 2031 2033 2034 CONECT 2033 2032 CONECT 2034 2032 2035 2088 CONECT 2035 2034 2036 2072 2087 CONECT 2036 2035 2037 2038 CONECT 2037 2036 CONECT 2038 2036 2039 2071 CONECT 2039 2038 2040 2054 2070 CONECT 2040 2039 2041 2042 CONECT 2041 2040 CONECT 2042 2040 2043 2053 CONECT 2043 2042 2044 2047 2052 CONECT 2044 2043 2045 2046 CONECT 2045 2044 CONECT 2046 2044 CONECT 2047 2043 2048 2050 2051 CONECT 2048 2047 2049 CONECT 2049 2048 CONECT 2050 2047 CONECT 2051 2047 CONECT 2052 2043 CONECT 2053 2042 CONECT 2054 2039 2055 2068 2069 CONECT 2055 2054 2056 2066 2067 CONECT 2056 2055 2057 2064 2065 CONECT 2057 2056 2058 2062 2063 CONECT 2058 2057 2059 2060 2061 CONECT 2059 2058 CONECT 2060 2058 CONECT 2061 2058 CONECT 2062 2057 CONECT 2063 2057 CONECT 2064 2056 CONECT 2065 2056 CONECT 2066 2055 CONECT 2067 2055 CONECT 2068 2054 CONECT 2069 2054 CONECT 2070 2039 CONECT 2071 2038 CONECT 2072 2035 2073 2085 2086 CONECT 2073 2072 2074 2078 CONECT 2074 2073 2075 2084 CONECT 2075 2074 2076 2083 CONECT 2076 2075 2077 2081 CONECT 2077 2076 2078 2080 CONECT 2078 2073 2077 2079 CONECT 2079 2078 CONECT 2080 2077 CONECT 2081 2076 2082 CONECT 2082 2081 CONECT 2083 2075 CONECT 2084 2074 CONECT 2085 2072 CONECT 2086 2072 CONECT 2087 2035 CONECT 2088 2034 CONECT 2089 2031 2090 2105 2106 CONECT 2090 2089 2091 2103 2104 CONECT 2091 2090 2092 2101 2102 CONECT 2092 2091 2093 2100 CONECT 2093 2092 2094 2097 CONECT 2094 2093 2095 2096 CONECT 2095 2094 CONECT 2096 2094 CONECT 2097 2093 2098 2099 CONECT 2098 2097 CONECT 2099 2097 CONECT 2100 2092 CONECT 2101 2091 CONECT 2102 2091 CONECT 2103 2090 CONECT 2104 2090 CONECT 2105 2089 CONECT 2106 2089 CONECT 2107 2031 CONECT 2108 2030 CONECT 2109 2027 2110 2118 2119 CONECT 2110 2109 2111 2114 CONECT 2111 2110 2112 CONECT 2112 2111 2113 2117 CONECT 2113 2112 2114 2116 CONECT 2114 2110 2113 2115 CONECT 2115 2114 CONECT 2116 2113 CONECT 2117 2112 CONECT 2118 2109 CONECT 2119 2109 CONECT 2120 2027 CONECT 2121 2026 CONECT 2122 2023 2123 2129 2130 CONECT 2123 2122 2124 2127 2128 CONECT 2124 2022 2123 2125 2126 CONECT 2125 2124 CONECT 2126 2124 CONECT 2127 2123 CONECT 2128 2123 CONECT 2129 2122 CONECT 2130 2122 CONECT 2131 2023 CONECT 2132 2019 2133 2146 2147 CONECT 2133 2132 2134 2144 2145 CONECT 2134 2133 2135 2142 2143 CONECT 2135 2134 2136 2140 2141 CONECT 2136 2135 2137 2138 2139 CONECT 2137 2136 CONECT 2138 2136 CONECT 2139 2136 CONECT 2140 2135 CONECT 2141 2135 CONECT 2142 2134 CONECT 2143 2134 CONECT 2144 2133 CONECT 2145 2133 CONECT 2146 2132 CONECT 2147 2132 CONECT 2148 2019 CONECT 2149 2018 CONECT 2150 1995 CONECT 2151 1994 CONECT 2152 1991 2153 2157 2161 CONECT 2153 2152 2154 2155 2156 CONECT 2154 2153 CONECT 2155 2153 CONECT 2156 2153 CONECT 2157 2152 2158 2159 2160 CONECT 2158 2157 CONECT 2159 2157 CONECT 2160 2157 CONECT 2161 2152 CONECT 2162 1991 CONECT 2163 1990 CONECT 2164 1987 CONECT 2165 1987 CONECT 2166 1986 CONECT 2167 1983 CONECT 2168 1983 CONECT 2169 1982 CONECT 2170 1979 2171 2173 2177 CONECT 2171 2170 2172 CONECT 2172 2171 CONECT 2173 2170 2174 2175 2176 CONECT 2174 2173 CONECT 2175 2173 CONECT 2176 2173 CONECT 2177 2170 CONECT 2178 1979 CONECT 2179 1978 CONECT 2180 1975 2181 2183 2184 CONECT 2181 2180 2182 CONECT 2182 2181 CONECT 2183 2180 CONECT 2184 2180 CONECT 2185 1975 CONECT 2186 1974 CONECT 2187 1974 CONECT 2188 1974 MASTER 0 0 0 0 0 0 0 0 2187 1 219 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
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Related entries of code: 2rnx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2b2v
RCSB PDB
PDBbind
16aa, >2B2V_3|Chain... at 93%
2b2w
RCSB PDB
PDBbind
20aa, >2B2W_3|Chain... at 95%
2co0
RCSB PDB
PDBbind
15aa, >2CO0_2|Chains... at 100%
2f6j
RCSB PDB
PDBbind
15aa, >2F6J_2|Chain... at 100%
2fsa
RCSB PDB
PDBbind
15aa, >2FSA_2|Chain... at 100%
2fuu
RCSB PDB
PDBbind
15aa, >2FUU_2|Chain... at 100%
2h2g
RCSB PDB
PDBbind
11aa, >2H2G_2|Chain... at 100%
2h9m
RCSB PDB
PDBbind
11aa, >2H9M_2|Chains... at 100%
2h9n
RCSB PDB
PDBbind
11aa, >2H9N_2|Chains... at 100%
2h9p
RCSB PDB
PDBbind
11aa, >2H9P_2|Chain... at 100%
2l3r
RCSB PDB
PDBbind
11aa, >2L3R_2|Chain... at 100%
2lbm
RCSB PDB
PDBbind
15aa, >2LBM_2|Chain... at 100%
2o9k
RCSB PDB
PDBbind
11aa, >2O9K_2|Chains... at 100%
2r0y
RCSB PDB
PDBbind
13aa, >2R0Y_2|Chain... at 100%
2rnw
RCSB PDB
PDBbind
15aa, >2RNW_2|Chain... at 100%
2uxn
RCSB PDB
PDBbind
21aa, >2UXN_3|Chain... at 95%
2v1d
RCSB PDB
PDBbind
21aa, >2V1D_3|Chain... at 95%
2ybp
RCSB PDB
PDBbind
12aa, >2YBP_2|Chains... at 91%
2ybs
RCSB PDB
PDBbind
12aa, >2YBS_2|Chains... at 91%
3ask
RCSB PDB
PDBbind
13aa, >3ASK_2|Chains... at 100%
3asl
RCSB PDB
PDBbind
11aa, >3ASL_2|Chain... at 100%
3b95
RCSB PDB
PDBbind
15aa, >3B95_2|Chain... at 100%
3ij0
RCSB PDB
PDBbind
11aa, >3IJ0_2|Chain... at 100%
3kv4
RCSB PDB
PDBbind
24aa, >3KV4_2|Chain... at 95%
3me9
RCSB PDB
PDBbind
11aa, >3ME9_2|Chains... at 100%
3mea
RCSB PDB
PDBbind
11aa, >3MEA_2|Chain... at 100%
3met
RCSB PDB
PDBbind
11aa, >3MET_2|Chains... at 100%
3meu
RCSB PDB
PDBbind
14aa, >3MEU_2|Chains... at 92%
3ql9
RCSB PDB
PDBbind
15aa, >3QL9_2|Chain... at 100%
3qlc
RCSB PDB
PDBbind
15aa, >3QLC_2|Chains... at 100%
3ued
RCSB PDB
PDBbind
12aa, >3UED_2|Chains... at 100%
3uef
RCSB PDB
PDBbind
12aa, >3UEF_2|Chains... at 100%
3uig
RCSB PDB
PDBbind
15aa, >3UIG_2|Chains... at 100%
4a7j
RCSB PDB
PDBbind
16aa, >4A7J_2|Chain... at 100%
4ft2
RCSB PDB
PDBbind
15aa, >4FT2_2|Chain... at 100%
4ft4
RCSB PDB
PDBbind
32aa, >4FT4_2|Chains... at 93%
4gy5
RCSB PDB
PDBbind
17aa, >4GY5_2|Chains... at 100%
4qq4
RCSB PDB
PDBbind
16aa, >4QQ4_2|Chains... at 93%
4tmp
RCSB PDB
PDBbind
11aa, >4TMP_2|Chains... at 100%
4u7t
RCSB PDB
PDBbind
12aa, >4U7T_3|Chains... at 100%
4w5a
RCSB PDB
PDBbind
15aa, >4W5A_2|Chains... at 100%
4yhp
RCSB PDB
PDBbind
16aa, >4YHP_1|Chains... at 100%
4yhz
RCSB PDB
PDBbind
12aa, >4YHZ_3|Chain... at 100%
5fb0
RCSB PDB
PDBbind
15aa, >5FB0_2|Chains... at 100%
5fb1
RCSB PDB
PDBbind
15aa, >5FB1_2|Chain... at 100%
5ix1
RCSB PDB
PDBbind
15aa, >5IX1_2|Chains... at 100%
5svx
RCSB PDB
PDBbind
11aa, >5SVX_2|Chain... at 100%
5svy
RCSB PDB
PDBbind
11aa, >5SVY_2|Chain... at 100%
5x60
RCSB PDB
PDBbind
20aa, >5X60_3|Chain... at 90%
5znp
RCSB PDB
PDBbind
15aa, >5ZNP_2|Chains... at 100%
6bhi
RCSB PDB
PDBbind
16aa, >6BHI_2|Chain... at 100%
6mil
RCSB PDB
PDBbind
19aa, >6MIL_2|Chains... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1g6g
RCSB PDB
PDBbind
13-mer
1gag
RCSB PDB
PDBbind
13-mer
1haa
RCSB PDB
PDBbind
13-mer
1hc9
RCSB PDB
PDBbind
13-mer
1i8h
RCSB PDB
PDBbind
13-mer
1j4p
RCSB PDB
PDBbind
13-mer
1j4q
RCSB PDB
PDBbind
13-mer
1juq
RCSB PDB
PDBbind
13-mer
1jwm
RCSB PDB
PDBbind
13-mer
1jws
RCSB PDB
PDBbind
13-mer
1jwu
RCSB PDB
PDBbind
13-mer
1k3n
RCSB PDB
PDBbind
13-mer
1k3q
RCSB PDB
PDBbind
13-mer
1oeb
RCSB PDB
PDBbind
13-mer
1opi
RCSB PDB
PDBbind
13-mer
1osv
RCSB PDB
PDBbind
13-mer
1ow6
RCSB PDB
PDBbind
13-mer
1ow7
RCSB PDB
PDBbind
13-mer
1ow8
RCSB PDB
PDBbind
13-mer
1p4u
RCSB PDB
PDBbind
13-mer
1r5v
RCSB PDB
PDBbind
13-mer
1r5w
RCSB PDB
PDBbind
13-mer
1rgj
RCSB PDB
PDBbind
13-mer
1sjh
RCSB PDB
PDBbind
13-mer
1sm3
RCSB PDB
PDBbind
13-mer
1thr
RCSB PDB
PDBbind
13-mer
1u9l
RCSB PDB
PDBbind
13-mer
1uef
RCSB PDB
PDBbind
13-mer
1yvh
RCSB PDB
PDBbind
13-mer
1ywh
RCSB PDB
PDBbind
13-mer
1zhk
RCSB PDB
PDBbind
13-mer
1zhl
RCSB PDB
PDBbind
13-mer
2a25
RCSB PDB
PDBbind
13-mer
2c9t
RCSB PDB
PDBbind
13-mer
2dwx
RCSB PDB
PDBbind
13-mer
2fts
RCSB PDB
PDBbind
13-mer
2las
RCSB PDB
PDBbind
13-mer
2lct
RCSB PDB
PDBbind
13-mer
2lsp
RCSB PDB
PDBbind
13-mer
2lto
RCSB PDB
PDBbind
13-mer
2lyw
RCSB PDB
PDBbind
13-mer
2mc1
RCSB PDB
PDBbind
13-mer
2mkr
RCSB PDB
PDBbind
13-mer
2ndf
RCSB PDB
PDBbind
13-mer
2ndg
RCSB PDB
PDBbind
13-mer
2qki
RCSB PDB
PDBbind
13-mer
2r0y
RCSB PDB
PDBbind
13-mer
2v87
RCSB PDB
PDBbind
13-mer
2vr3
RCSB PDB
PDBbind
13-mer
3ask
RCSB PDB
PDBbind
13-mer
3bum
RCSB PDB
PDBbind
13-mer
3bun
RCSB PDB
PDBbind
13-mer
3buo
RCSB PDB
PDBbind
13-mer
3buw
RCSB PDB
PDBbind
13-mer
3bux
RCSB PDB
PDBbind
13-mer
3c3o
RCSB PDB
PDBbind
13-mer
3c3r
RCSB PDB
PDBbind
13-mer
3coj
RCSB PDB
PDBbind
13-mer
3e1r
RCSB PDB
PDBbind
13-mer
3eg6
RCSB PDB
PDBbind
13-mer
3emh
RCSB PDB
PDBbind
13-mer
3g2s
RCSB PDB
PDBbind
13-mer
3g2t
RCSB PDB
PDBbind
13-mer
3g2u
RCSB PDB
PDBbind
13-mer
3g2v
RCSB PDB
PDBbind
13-mer
3ml4
RCSB PDB
PDBbind
13-mer
3n5u
RCSB PDB
PDBbind
13-mer
3nfk
RCSB PDB
PDBbind
13-mer
3nti
RCSB PDB
PDBbind
13-mer
3o1d
RCSB PDB
PDBbind
13-mer
3o1e
RCSB PDB
PDBbind
13-mer
3q5u
RCSB PDB
PDBbind
13-mer
3rqf
RCSB PDB
PDBbind
13-mer
3rqg
RCSB PDB
PDBbind
13-mer
3rz9
RCSB PDB
PDBbind
13-mer
3s7f
RCSB PDB
PDBbind
13-mer
3tdz
RCSB PDB
PDBbind
13-mer
3ui2
RCSB PDB
PDBbind
13-mer
4abi
RCSB PDB
PDBbind
13-mer
4abj
RCSB PDB
PDBbind
13-mer
4b9w
RCSB PDB
PDBbind
13-mer
4bea
RCSB PDB
PDBbind
13-mer
4bv2
RCSB PDB
PDBbind
13-mer
4f14
RCSB PDB
PDBbind
13-mer
4f20
RCSB PDB
PDBbind
13-mer
4h3q
RCSB PDB
PDBbind
13-mer
4ib5
RCSB PDB
PDBbind
13-mer
4jmg
RCSB PDB
PDBbind
13-mer
4jmh
RCSB PDB
PDBbind
13-mer
4l1u
RCSB PDB
PDBbind
13-mer
4m7c
RCSB PDB
PDBbind
13-mer
4mz5
RCSB PDB
PDBbind
13-mer
4mz6
RCSB PDB
PDBbind
13-mer
4n7h
RCSB PDB
PDBbind
13-mer
4po7
RCSB PDB
PDBbind
13-mer
4qh8
RCSB PDB
PDBbind
13-mer
4rme
RCSB PDB
PDBbind
13-mer
4um9
RCSB PDB
PDBbind
13-mer
4umn
RCSB PDB
PDBbind
13-mer
4w4z
RCSB PDB
PDBbind
13-mer
4wj7
RCSB PDB
PDBbind
13-mer
4x3e
RCSB PDB
PDBbind
13-mer
4yjl
RCSB PDB
PDBbind
13-mer
4z0d
RCSB PDB
PDBbind
13-mer
4z0e
RCSB PDB
PDBbind
13-mer
4z0f
RCSB PDB
PDBbind
13-mer
5cil
RCSB PDB
PDBbind
13-mer
5dd0
RCSB PDB
PDBbind
13-mer
5dhf
RCSB PDB
PDBbind
13-mer
5dx3
RCSB PDB
PDBbind
13-mer
5dxb
RCSB PDB
PDBbind
13-mer
5dxe
RCSB PDB
PDBbind
13-mer
5dxg
RCSB PDB
PDBbind
13-mer
5e0m
RCSB PDB
PDBbind
13-mer
5eay
RCSB PDB
PDBbind
13-mer
5eyz
RCSB PDB
PDBbind
13-mer
5fyq
RCSB PDB
PDBbind
13-mer
5gg4
RCSB PDB
PDBbind
13-mer
5h1e
RCSB PDB
PDBbind
13-mer
5h7g
RCSB PDB
PDBbind
13-mer
5hyr
RCSB PDB
PDBbind
13-mer
5hyx
RCSB PDB
PDBbind
13-mer
5jr2
RCSB PDB
PDBbind
13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
2rnx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone acetyltransferase PCAF
Ligand Name
13-mer
EC.Number
E.C.2.3.1.48
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=402uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Structure Vol. 16: pp. 643-652
Ligand Properties
Formula
C
6
5
H
1
1
1
N
2
1
O
1
8
S
Molecular Weight
1506.770
Exact Mass
1505.810
No. of atoms
216
No. of bonds
218
Polar Surface Area
683.91
LOGP Value
-4.98 (
Computed with XLOGP3
)
-5.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 65
No. of Nitrogen and Oxygen Atoms: 39
No. of Rings: 3
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=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)N[C@H](C(=O)O)CS)CCCC[NH3+])Cc1ccc(cc1)O)CCC[NH+]=C(N)N)Cc1c[nH]cn1)CCCC[NH3+])CCCCNC(=O)C)C(C)C)[C@H](O)C)[NH3+]
InChI String
InChI=1S/C65H107N21O18S/c1-35(2)52(84-51(92)31-74-50(91)30-75-61(100)53(36(3)88)85-54(93)41(68)32-87)62(101)79-43(14-7-10-24-72-37(4)89)55(94)80-45(15-6-9-23-67)63(102)86-26-12-17-49(86)60(99)82-47(28-39-29-71-34-76-39)59(98)78-44(16-11-25-73-65(69)70)56(95)81-46(27-38-18-20-40(90)21-19-38)58(97)77-42(13-5-8-22-66)57(96)83-48(33-105)64(103)104/h18-21,29,34-36,41-49,52-53,87-88,90,105H,5-17,22-28,30-33,66-68H2,1-4H3,(H,71,76)(H,72,89)(H,74,91)(H,75,100)(H,77,97)(H,78,98)(H,79,101)(H,80,94)(H,81,95)(H,82,99)(H,83,96)(H,84,92)(H,85,93)(H,103,104)(H4,69,70,73)/p+4/t36-,41+,42+,43+,44+,45+,46+,47+,48+,49+,52+,53+/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):
Q92831
P61830
Entrez Gene ID
NCBI Entrez Gene ID:
8850
852295
855700
ASD
Information of known allosteric effects of PDB entries
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