Browse entries in the PDBbind-CN Database
HEADER 2LH8_COMPLEX COMPND 2LH8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 104 LEU GLY GLY TYR MET LEU GLY SER ALA MET SER ARG PRO SEQRES 2 A 104 MET MET HIS PHE GLY ASN ASP TRP GLU ASP ARG TYR TYR SEQRES 3 A 104 ARG GLU ASN MET ASN ARG TYR PRO ASN GLN VAL TYR TYR SEQRES 4 A 104 ARG PRO VAL ASP GLN TYR ASN ASN GLN ASN ASN PHE VAL SEQRES 5 A 104 HIS ASP CYS VAL ASN ILE THR ILE LYS GLN HIS THR VAL SEQRES 6 A 104 THR THR THR THR LYS GLY GLU ASN PHE THR GLU THR ASP SEQRES 7 A 104 ILE LYS ILE MET GLU ARG VAL VAL GLU GLN MET CYS THR SEQRES 8 A 104 THR GLN TYR GLN LYS GLU SER GLN ALA TYR TYR ASP GLY HET VIB A 105 38 ATOM 1 N LEU A 35 12.172 -12.670 -4.281 1.00 0.00 N ATOM 2 CA LEU A 35 11.436 -11.442 -4.675 1.00 0.00 C ATOM 3 C LEU A 35 11.843 -10.971 -6.068 1.00 0.00 C ATOM 4 O LEU A 35 10.963 -10.792 -6.891 1.00 0.00 O ATOM 5 CB LEU A 35 11.549 -10.290 -3.654 1.00 0.00 C ATOM 6 CG LEU A 35 11.225 -10.668 -2.195 1.00 0.00 C ATOM 7 CD1 LEU A 35 11.277 -9.428 -1.311 1.00 0.00 C ATOM 8 CD2 LEU A 35 9.850 -11.322 -2.044 1.00 0.00 C ATOM 9 HA LEU A 35 10.385 -11.729 -4.692 1.00 0.00 H ATOM 10 HB2 LEU A 35 12.571 -9.911 -3.685 1.00 0.00 H ATOM 11 HB3 LEU A 35 10.861 -9.501 -3.958 1.00 0.00 H ATOM 12 HG LEU A 35 11.977 -11.394 -1.887 1.00 0.00 H ATOM 13 HD21 LEU A 35 9.081 -10.631 -2.389 1.00 0.00 H ATOM 14 HD22 LEU A 35 9.815 -12.234 -2.641 1.00 0.00 H ATOM 15 HD23 LEU A 35 9.678 -11.566 -0.996 1.00 0.00 H ATOM 16 HD11 LEU A 35 12.275 -8.993 -1.356 1.00 0.00 H ATOM 17 HD12 LEU A 35 10.546 -8.701 -1.664 1.00 0.00 H ATOM 18 HD13 LEU A 35 11.047 -9.707 -0.283 1.00 0.00 H ATOM 19 HN3 LEU A 35 13.193 -12.475 -4.278 1.00 0.00 H ATOM 20 HN2 LEU A 35 11.965 -13.430 -4.960 1.00 0.00 H ATOM 21 HN1 LEU A 35 11.871 -12.963 -3.329 1.00 0.00 H ATOM 22 N GLY A 36 13.137 -10.753 -6.322 1.00 0.00 N ATOM 23 CA GLY A 36 13.671 -10.272 -7.607 1.00 0.00 C ATOM 24 C GLY A 36 14.474 -8.983 -7.426 1.00 0.00 C ATOM 25 O GLY A 36 15.651 -8.953 -7.745 1.00 0.00 O ATOM 26 HA3 GLY A 36 12.841 -10.082 -8.288 1.00 0.00 H ATOM 27 HA2 GLY A 36 14.319 -11.038 -8.032 1.00 0.00 H ATOM 28 H GLY A 36 13.816 -10.937 -5.556 1.00 0.00 H ATOM 29 N GLY A 37 13.928 -8.074 -6.615 1.00 0.00 N ATOM 30 CA GLY A 37 14.570 -6.826 -6.206 1.00 0.00 C ATOM 31 C GLY A 37 13.526 -5.869 -5.640 1.00 0.00 C ATOM 32 O GLY A 37 13.027 -5.029 -6.382 1.00 0.00 O ATOM 33 HA3 GLY A 37 15.052 -6.367 -7.069 1.00 0.00 H ATOM 34 HA2 GLY A 37 15.319 -7.037 -5.443 1.00 0.00 H ATOM 35 H GLY A 37 12.975 -8.268 -6.247 1.00 0.00 H ATOM 36 N TYR A 38 12.957 -6.238 -4.485 1.00 0.00 N ATOM 37 CA TYR A 38 11.930 -5.452 -3.794 1.00 0.00 C ATOM 38 C TYR A 38 12.201 -5.459 -2.281 1.00 0.00 C ATOM 39 O TYR A 38 12.706 -6.452 -1.756 1.00 0.00 O ATOM 40 CB TYR A 38 10.506 -5.971 -4.086 1.00 0.00 C ATOM 41 CG TYR A 38 10.074 -5.940 -5.545 1.00 0.00 C ATOM 42 CD1 TYR A 38 10.358 -7.030 -6.390 1.00 0.00 C ATOM 43 CD2 TYR A 38 9.376 -4.829 -6.058 1.00 0.00 C ATOM 44 CE1 TYR A 38 10.003 -6.981 -7.752 1.00 0.00 C ATOM 45 CE2 TYR A 38 9.005 -4.779 -7.417 1.00 0.00 C ATOM 46 CZ TYR A 38 9.333 -5.851 -8.272 1.00 0.00 C ATOM 47 OH TYR A 38 9.054 -5.799 -9.603 1.00 0.00 O ATOM 48 HA TYR A 38 11.983 -4.431 -4.171 1.00 0.00 H ATOM 49 HB3 TYR A 38 9.805 -5.361 -3.517 1.00 0.00 H ATOM 50 HB2 TYR A 38 10.450 -7.004 -3.742 1.00 0.00 H ATOM 51 HD2 TYR A 38 9.120 -4.000 -5.398 1.00 0.00 H ATOM 52 HE2 TYR A 38 8.466 -3.915 -7.805 1.00 0.00 H ATOM 53 HE1 TYR A 38 10.246 -7.818 -8.407 1.00 0.00 H ATOM 54 HD1 TYR A 38 10.854 -7.914 -5.989 1.00 0.00 H ATOM 55 HH TYR A 38 9.356 -6.637 -10.035 1.00 0.00 H ATOM 56 H TYR A 38 13.261 -7.134 -4.053 1.00 0.00 H ATOM 57 N MET A 39 11.751 -4.418 -1.585 1.00 0.00 N ATOM 58 CA MET A 39 12.095 -4.068 -0.209 1.00 0.00 C ATOM 59 C MET A 39 10.875 -3.456 0.481 1.00 0.00 C ATOM 60 O MET A 39 10.179 -2.634 -0.106 1.00 0.00 O ATOM 61 CB MET A 39 13.234 -3.038 -0.255 1.00 0.00 C ATOM 62 CG MET A 39 13.753 -2.688 1.140 1.00 0.00 C ATOM 63 SD MET A 39 15.242 -1.667 1.090 1.00 0.00 S ATOM 64 CE MET A 39 15.473 -1.382 2.863 1.00 0.00 C ATOM 65 HA MET A 39 12.406 -4.953 0.346 1.00 0.00 H ATOM 66 HB2 MET A 39 14.055 -3.448 -0.843 1.00 0.00 H ATOM 67 HB3 MET A 39 12.867 -2.129 -0.731 1.00 0.00 H ATOM 68 HG2 MET A 39 13.981 -3.613 1.670 1.00 0.00 H ATOM 69 HG3 MET A 39 12.975 -2.145 1.676 1.00 0.00 H ATOM 70 HE1 MET A 39 14.597 -0.874 3.265 1.00 0.00 H ATOM 71 HE2 MET A 39 15.604 -2.338 3.369 1.00 0.00 H ATOM 72 HE3 MET A 39 16.357 -0.763 3.018 1.00 0.00 H ATOM 73 H MET A 39 11.084 -3.787 -2.072 1.00 0.00 H ATOM 74 N LEU A 40 10.530 -3.959 1.664 1.00 0.00 N ATOM 75 CA LEU A 40 9.427 -3.440 2.469 1.00 0.00 C ATOM 76 C LEU A 40 9.801 -2.111 3.149 1.00 0.00 C ATOM 77 O LEU A 40 10.653 -2.094 4.030 1.00 0.00 O ATOM 78 CB LEU A 40 8.931 -4.524 3.449 1.00 0.00 C ATOM 79 CG LEU A 40 9.831 -4.925 4.641 1.00 0.00 C ATOM 80 CD1 LEU A 40 9.195 -6.127 5.343 1.00 0.00 C ATOM 81 CD2 LEU A 40 11.260 -5.329 4.263 1.00 0.00 C ATOM 82 HA LEU A 40 8.588 -3.199 1.817 1.00 0.00 H ATOM 83 HB2 LEU A 40 7.987 -4.171 3.865 1.00 0.00 H ATOM 84 HB3 LEU A 40 8.754 -5.427 2.864 1.00 0.00 H ATOM 85 HG LEU A 40 9.904 -4.037 5.269 1.00 0.00 H ATOM 86 HD21 LEU A 40 11.228 -6.187 3.591 1.00 0.00 H ATOM 87 HD22 LEU A 40 11.753 -4.494 3.765 1.00 0.00 H ATOM 88 HD23 LEU A 40 11.812 -5.593 5.165 1.00 0.00 H ATOM 89 HD11 LEU A 40 8.202 -5.854 5.700 1.00 0.00 H ATOM 90 HD12 LEU A 40 9.115 -6.956 4.640 1.00 0.00 H ATOM 91 HD13 LEU A 40 9.817 -6.424 6.187 1.00 0.00 H ATOM 92 H LEU A 40 11.074 -4.764 2.035 1.00 0.00 H ATOM 93 N GLY A 41 9.076 -1.036 2.836 1.00 0.00 N ATOM 94 CA GLY A 41 9.283 0.278 3.461 1.00 0.00 C ATOM 95 C GLY A 41 8.967 0.308 4.960 1.00 0.00 C ATOM 96 O GLY A 41 9.734 0.846 5.753 1.00 0.00 O ATOM 97 HA3 GLY A 41 8.641 1.002 2.960 1.00 0.00 H ATOM 98 HA2 GLY A 41 10.326 0.563 3.324 1.00 0.00 H ATOM 99 H GLY A 41 8.331 -1.132 2.117 1.00 0.00 H ATOM 100 N SER A 42 7.906 -0.424 5.338 1.00 0.00 N ATOM 101 CA SER A 42 7.354 -0.730 6.680 1.00 0.00 C ATOM 102 C SER A 42 5.833 -0.504 6.708 1.00 0.00 C ATOM 103 O SER A 42 5.194 -0.408 5.657 1.00 0.00 O ATOM 104 CB SER A 42 8.055 -0.017 7.852 1.00 0.00 C ATOM 105 OG SER A 42 9.347 -0.552 8.003 1.00 0.00 O ATOM 106 HA SER A 42 7.564 -1.787 6.843 1.00 0.00 H ATOM 107 HB2 SER A 42 7.485 -0.171 8.768 1.00 0.00 H ATOM 108 HB3 SER A 42 8.123 1.051 7.643 1.00 0.00 H ATOM 109 HG SER A 42 9.861 -0.411 7.169 1.00 0.00 H ATOM 110 H SER A 42 7.378 -0.852 4.550 1.00 0.00 H ATOM 111 N ALA A 43 5.212 -0.678 7.879 1.00 0.00 N ATOM 112 CA ALA A 43 3.788 -0.418 8.076 1.00 0.00 C ATOM 113 C ALA A 43 3.449 1.082 7.985 1.00 0.00 C ATOM 114 O ALA A 43 4.151 1.927 8.537 1.00 0.00 O ATOM 115 CB ALA A 43 3.368 -0.998 9.431 1.00 0.00 C ATOM 116 HA ALA A 43 3.230 -0.902 7.275 1.00 0.00 H ATOM 117 HB1 ALA A 43 3.554 -2.072 9.439 1.00 0.00 H ATOM 118 HB2 ALA A 43 3.946 -0.522 10.223 1.00 0.00 H ATOM 119 HB3 ALA A 43 2.306 -0.811 9.591 1.00 0.00 H ATOM 120 H ALA A 43 5.770 -1.015 8.689 1.00 0.00 H ATOM 121 N MET A 44 2.271 1.379 7.439 1.00 0.00 N ATOM 122 CA MET A 44 1.628 2.694 7.491 1.00 0.00 C ATOM 123 C MET A 44 1.417 3.197 8.931 1.00 0.00 C ATOM 124 O MET A 44 0.721 2.571 9.729 1.00 0.00 O ATOM 125 CB MET A 44 0.297 2.641 6.721 1.00 0.00 C ATOM 126 CG MET A 44 -0.626 1.480 7.127 1.00 0.00 C ATOM 127 SD MET A 44 -2.298 1.905 7.658 1.00 0.00 S ATOM 128 CE MET A 44 -2.344 1.238 9.340 1.00 0.00 C ATOM 129 HA MET A 44 2.296 3.413 7.017 1.00 0.00 H ATOM 130 HB2 MET A 44 -0.235 3.576 6.894 1.00 0.00 H ATOM 131 HB3 MET A 44 0.521 2.543 5.659 1.00 0.00 H ATOM 132 HG2 MET A 44 -0.145 0.950 7.949 1.00 0.00 H ATOM 133 HG3 MET A 44 -0.713 0.814 6.269 1.00 0.00 H ATOM 134 HE1 MET A 44 -2.167 0.163 9.308 1.00 0.00 H ATOM 135 HE2 MET A 44 -1.571 1.717 9.941 1.00 0.00 H ATOM 136 HE3 MET A 44 -3.322 1.434 9.780 1.00 0.00 H ATOM 137 H MET A 44 1.769 0.619 6.937 1.00 0.00 H ATOM 138 N SER A 45 1.847 4.432 9.205 1.00 0.00 N ATOM 139 CA SER A 45 1.650 5.124 10.490 1.00 0.00 C ATOM 140 C SER A 45 0.209 5.644 10.692 1.00 0.00 C ATOM 141 O SER A 45 -0.016 6.850 10.741 1.00 0.00 O ATOM 142 CB SER A 45 2.693 6.240 10.642 1.00 0.00 C ATOM 143 OG SER A 45 2.571 6.838 11.914 1.00 0.00 O ATOM 144 HA SER A 45 1.797 4.391 11.283 1.00 0.00 H ATOM 145 HB2 SER A 45 2.532 6.993 9.871 1.00 0.00 H ATOM 146 HB3 SER A 45 3.693 5.819 10.534 1.00 0.00 H ATOM 147 HG SER A 45 1.664 7.222 12.011 1.00 0.00 H ATOM 148 H SER A 45 2.358 4.942 8.456 1.00 0.00 H ATOM 149 N ARG A 46 -0.776 4.732 10.745 1.00 0.00 N ATOM 150 CA ARG A 46 -2.228 4.977 10.942 1.00 0.00 C ATOM 151 C ARG A 46 -2.760 6.262 10.244 1.00 0.00 C ATOM 152 O ARG A 46 -3.191 7.190 10.921 1.00 0.00 O ATOM 153 CB ARG A 46 -2.542 4.923 12.449 1.00 0.00 C ATOM 154 CG ARG A 46 -4.052 4.798 12.729 1.00 0.00 C ATOM 155 CD ARG A 46 -4.364 4.942 14.223 1.00 0.00 C ATOM 156 NE ARG A 46 -3.907 3.774 15.004 1.00 0.00 N ATOM 157 CZ ARG A 46 -3.765 3.718 16.317 1.00 0.00 C ATOM 158 NH1 ARG A 46 -3.978 4.752 17.082 1.00 0.00 N ATOM 159 NH2 ARG A 46 -3.410 2.604 16.893 1.00 0.00 N ATOM 160 HA ARG A 46 -2.776 4.182 10.437 1.00 0.00 H ATOM 161 HB2 ARG A 46 -2.033 4.062 12.883 1.00 0.00 H ATOM 162 HB3 ARG A 46 -2.173 5.836 12.917 1.00 0.00 H ATOM 163 HG2 ARG A 46 -4.579 5.579 12.181 1.00 0.00 H ATOM 164 HG3 ARG A 46 -4.395 3.821 12.388 1.00 0.00 H ATOM 165 HD2 ARG A 46 -5.442 5.048 14.348 1.00 0.00 H ATOM 166 HD3 ARG A 46 -3.866 5.834 14.602 1.00 0.00 H ATOM 167 HE ARG A 46 -3.675 2.913 14.469 1.00 0.00 H ATOM 168 HH12 ARG A 46 -3.856 4.671 18.112 1.00 0.00 H ATOM 169 HH11 ARG A 46 -4.270 5.658 16.663 1.00 0.00 H ATOM 170 HH22 ARG A 46 -3.300 2.565 17.926 1.00 0.00 H ATOM 171 HH21 ARG A 46 -3.237 1.754 16.319 1.00 0.00 H ATOM 172 H ARG A 46 -0.489 3.739 10.635 1.00 0.00 H ATOM 173 N PRO A 47 -2.848 6.267 8.898 1.00 0.00 N ATOM 174 CA PRO A 47 -3.085 7.427 8.029 1.00 0.00 C ATOM 175 C PRO A 47 -4.126 8.482 8.422 1.00 0.00 C ATOM 176 O PRO A 47 -3.960 9.624 8.016 1.00 0.00 O ATOM 177 CB PRO A 47 -3.460 6.820 6.673 1.00 0.00 C ATOM 178 CG PRO A 47 -2.580 5.584 6.626 1.00 0.00 C ATOM 179 CD PRO A 47 -2.587 5.105 8.071 1.00 0.00 C ATOM 180 HA PRO A 47 -2.173 8.023 8.073 1.00 0.00 H ATOM 181 HD3 PRO A 47 -3.368 4.359 8.215 1.00 0.00 H ATOM 182 HD2 PRO A 47 -1.620 4.671 8.327 1.00 0.00 H ATOM 183 HG3 PRO A 47 -1.570 5.834 6.300 1.00 0.00 H ATOM 184 HG2 PRO A 47 -2.999 4.829 5.960 1.00 0.00 H ATOM 185 HB2 PRO A 47 -4.517 6.556 6.636 1.00 0.00 H ATOM 186 HB3 PRO A 47 -3.228 7.503 5.855 1.00 0.00 H ATOM 187 N MET A 48 -5.282 8.077 8.964 1.00 0.00 N ATOM 188 CA MET A 48 -6.485 8.926 9.087 1.00 0.00 C ATOM 189 C MET A 48 -6.897 9.629 7.763 1.00 0.00 C ATOM 190 O MET A 48 -7.362 10.765 7.754 1.00 0.00 O ATOM 191 CB MET A 48 -6.319 9.843 10.311 1.00 0.00 C ATOM 192 CG MET A 48 -7.641 10.436 10.811 1.00 0.00 C ATOM 193 SD MET A 48 -7.509 11.192 12.453 1.00 0.00 S ATOM 194 CE MET A 48 -8.884 12.367 12.348 1.00 0.00 C ATOM 195 HA MET A 48 -7.356 8.298 9.272 1.00 0.00 H ATOM 196 HB2 MET A 48 -5.872 9.264 11.119 1.00 0.00 H ATOM 197 HB3 MET A 48 -5.652 10.662 10.041 1.00 0.00 H ATOM 198 HG2 MET A 48 -8.384 9.639 10.855 1.00 0.00 H ATOM 199 HG3 MET A 48 -7.969 11.198 10.104 1.00 0.00 H ATOM 200 HE1 MET A 48 -8.709 13.056 11.522 1.00 0.00 H ATOM 201 HE2 MET A 48 -9.813 11.823 12.178 1.00 0.00 H ATOM 202 HE3 MET A 48 -8.954 12.926 13.281 1.00 0.00 H ATOM 203 H MET A 48 -5.336 7.102 9.321 1.00 0.00 H ATOM 204 N MET A 49 -6.611 8.977 6.626 1.00 0.00 N ATOM 205 CA MET A 49 -6.844 9.491 5.266 1.00 0.00 C ATOM 206 C MET A 49 -8.286 9.255 4.811 1.00 0.00 C ATOM 207 O MET A 49 -9.175 9.248 5.642 1.00 0.00 O ATOM 208 CB MET A 49 -5.790 8.903 4.309 1.00 0.00 C ATOM 209 CG MET A 49 -4.475 9.660 4.490 1.00 0.00 C ATOM 210 SD MET A 49 -4.537 11.375 3.902 1.00 0.00 S ATOM 211 CE MET A 49 -3.112 12.023 4.814 1.00 0.00 C ATOM 212 HA MET A 49 -6.722 10.574 5.260 1.00 0.00 H ATOM 213 HB2 MET A 49 -5.639 7.848 4.536 1.00 0.00 H ATOM 214 HB3 MET A 49 -6.133 9.007 3.279 1.00 0.00 H ATOM 215 HG2 MET A 49 -3.696 9.134 3.938 1.00 0.00 H ATOM 216 HG3 MET A 49 -4.225 9.668 5.551 1.00 0.00 H ATOM 217 HE1 MET A 49 -3.282 11.903 5.884 1.00 0.00 H ATOM 218 HE2 MET A 49 -2.216 11.475 4.523 1.00 0.00 H ATOM 219 HE3 MET A 49 -2.984 13.080 4.582 1.00 0.00 H ATOM 220 H MET A 49 -6.190 8.030 6.712 1.00 0.00 H ATOM 221 N HIS A 50 -8.588 9.326 3.511 1.00 0.00 N ATOM 222 CA HIS A 50 -9.969 9.327 3.017 1.00 0.00 C ATOM 223 C HIS A 50 -10.070 8.828 1.580 1.00 0.00 C ATOM 224 O HIS A 50 -9.113 8.981 0.824 1.00 0.00 O ATOM 225 CB HIS A 50 -10.512 10.757 3.130 1.00 0.00 C ATOM 226 CG HIS A 50 -9.912 11.753 2.180 1.00 0.00 C ATOM 227 ND1 HIS A 50 -8.702 12.393 2.357 1.00 0.00 N ATOM 228 CD2 HIS A 50 -10.452 12.173 0.997 1.00 0.00 C ATOM 229 CE1 HIS A 50 -8.486 13.170 1.277 1.00 0.00 C ATOM 230 NE2 HIS A 50 -9.543 13.055 0.441 1.00 0.00 N ATOM 231 HA HIS A 50 -10.561 8.640 3.622 1.00 0.00 H ATOM 232 HB2 HIS A 50 -11.586 10.724 2.948 1.00 0.00 H ATOM 233 HB3 HIS A 50 -10.327 11.107 4.145 1.00 0.00 H ATOM 234 HD2 HIS A 50 -11.411 11.872 0.575 1.00 0.00 H ATOM 235 HE1 HIS A 50 -7.605 13.789 1.106 1.00 0.00 H ATOM 236 H HIS A 50 -7.812 9.383 2.821 1.00 0.00 H ATOM 237 N PHE A 51 -11.306 8.568 1.161 1.00 0.00 N ATOM 238 CA PHE A 51 -11.635 8.132 -0.200 1.00 0.00 C ATOM 239 C PHE A 51 -12.569 9.130 -0.902 1.00 0.00 C ATOM 240 O PHE A 51 -12.236 9.607 -1.981 1.00 0.00 O ATOM 241 CB PHE A 51 -12.254 6.723 -0.129 1.00 0.00 C ATOM 242 CG PHE A 51 -11.457 5.755 0.728 1.00 0.00 C ATOM 243 CD1 PHE A 51 -11.692 5.674 2.116 1.00 0.00 C ATOM 244 CD2 PHE A 51 -10.454 4.961 0.148 1.00 0.00 C ATOM 245 CE1 PHE A 51 -10.913 4.822 2.917 1.00 0.00 C ATOM 246 CE2 PHE A 51 -9.673 4.116 0.952 1.00 0.00 C ATOM 247 CZ PHE A 51 -9.902 4.042 2.333 1.00 0.00 C ATOM 248 HA PHE A 51 -10.725 8.095 -0.799 1.00 0.00 H ATOM 249 HB2 PHE A 51 -13.258 6.807 0.287 1.00 0.00 H ATOM 250 HB3 PHE A 51 -12.314 6.321 -1.140 1.00 0.00 H ATOM 251 HD2 PHE A 51 -10.282 5.001 -0.928 1.00 0.00 H ATOM 252 HE2 PHE A 51 -8.884 3.514 0.500 1.00 0.00 H ATOM 253 HZ PHE A 51 -9.296 3.380 2.952 1.00 0.00 H ATOM 254 HE1 PHE A 51 -11.093 4.767 3.991 1.00 0.00 H ATOM 255 HD1 PHE A 51 -12.481 6.274 2.569 1.00 0.00 H ATOM 256 H PHE A 51 -12.086 8.681 1.840 1.00 0.00 H ATOM 257 N GLY A 52 -13.527 9.688 -0.149 1.00 0.00 N ATOM 258 CA GLY A 52 -14.667 10.430 -0.712 1.00 0.00 C ATOM 259 C GLY A 52 -15.917 9.553 -0.885 1.00 0.00 C ATOM 260 O GLY A 52 -16.921 10.013 -1.412 1.00 0.00 O ATOM 261 HA3 GLY A 52 -14.380 10.825 -1.687 1.00 0.00 H ATOM 262 HA2 GLY A 52 -14.910 11.256 -0.044 1.00 0.00 H ATOM 263 H GLY A 52 -13.462 9.592 0.885 1.00 0.00 H ATOM 264 N ASN A 53 -15.854 8.319 -0.374 1.00 0.00 N ATOM 265 CA ASN A 53 -16.868 7.281 -0.469 1.00 0.00 C ATOM 266 C ASN A 53 -17.027 6.678 0.934 1.00 0.00 C ATOM 267 O ASN A 53 -16.115 6.010 1.422 1.00 0.00 O ATOM 268 CB ASN A 53 -16.401 6.214 -1.487 1.00 0.00 C ATOM 269 CG ASN A 53 -16.265 6.719 -2.916 1.00 0.00 C ATOM 270 OD1 ASN A 53 -15.494 7.611 -3.230 1.00 0.00 O ATOM 271 ND2 ASN A 53 -16.935 6.098 -3.856 1.00 0.00 N ATOM 272 HA ASN A 53 -17.825 7.675 -0.812 1.00 0.00 H ATOM 273 HB2 ASN A 53 -15.430 5.838 -1.165 1.00 0.00 H ATOM 274 HB3 ASN A 53 -17.124 5.399 -1.482 1.00 0.00 H ATOM 275 HD22 ASN A 53 -17.596 5.335 -3.606 1.00 0.00 H ATOM 276 HD21 ASN A 53 -16.805 6.368 -4.852 1.00 0.00 H ATOM 277 H ASN A 53 -14.987 8.076 0.147 1.00 0.00 H ATOM 278 N ASP A 54 -18.096 7.028 1.645 1.00 0.00 N ATOM 279 CA ASP A 54 -18.270 6.737 3.079 1.00 0.00 C ATOM 280 C ASP A 54 -18.296 5.229 3.391 1.00 0.00 C ATOM 281 O ASP A 54 -17.701 4.762 4.360 1.00 0.00 O ATOM 282 CB ASP A 54 -19.551 7.424 3.574 1.00 0.00 C ATOM 283 CG ASP A 54 -19.578 8.900 3.162 1.00 0.00 C ATOM 284 OD1 ASP A 54 -18.861 9.684 3.822 1.00 0.00 O ATOM 285 OD2 ASP A 54 -19.934 9.110 1.979 1.00 0.00 O ATOM 286 HA ASP A 54 -17.403 7.132 3.609 1.00 0.00 H ATOM 287 HB2 ASP A 54 -20.416 6.918 3.145 1.00 0.00 H ATOM 288 HB3 ASP A 54 -19.595 7.356 4.661 1.00 0.00 H ATOM 289 H ASP A 54 -18.858 7.540 1.157 1.00 0.00 H ATOM 290 N TRP A 55 -18.773 4.422 2.438 1.00 0.00 N ATOM 291 CA TRP A 55 -18.675 2.961 2.508 1.00 0.00 C ATOM 292 C TRP A 55 -17.220 2.446 2.535 1.00 0.00 C ATOM 293 O TRP A 55 -16.941 1.468 3.222 1.00 0.00 O ATOM 294 CB TRP A 55 -19.485 2.338 1.361 1.00 0.00 C ATOM 295 CG TRP A 55 -19.976 0.948 1.630 1.00 0.00 C ATOM 296 CD1 TRP A 55 -19.292 -0.193 1.385 1.00 0.00 C ATOM 297 CD2 TRP A 55 -21.239 0.532 2.240 1.00 0.00 C ATOM 298 NE1 TRP A 55 -20.042 -1.280 1.793 1.00 0.00 N ATOM 299 CE2 TRP A 55 -21.249 -0.892 2.335 1.00 0.00 C ATOM 300 CE3 TRP A 55 -22.373 1.214 2.738 1.00 0.00 C ATOM 301 CZ2 TRP A 55 -22.323 -1.603 2.893 1.00 0.00 C ATOM 302 CZ3 TRP A 55 -23.457 0.511 3.301 1.00 0.00 C ATOM 303 CH2 TRP A 55 -23.434 -0.893 3.379 1.00 0.00 C ATOM 304 HA TRP A 55 -19.102 2.646 3.460 1.00 0.00 H ATOM 305 HB2 TRP A 55 -20.350 2.974 1.170 1.00 0.00 H ATOM 306 HB3 TRP A 55 -18.853 2.310 0.473 1.00 0.00 H ATOM 307 HE1 TRP A 55 -19.734 -2.269 1.702 1.00 0.00 H ATOM 308 HD1 TRP A 55 -18.301 -0.247 0.935 1.00 0.00 H ATOM 309 HZ2 TRP A 55 -22.296 -2.691 2.949 1.00 0.00 H ATOM 310 HH2 TRP A 55 -24.276 -1.429 3.816 1.00 0.00 H ATOM 311 HZ3 TRP A 55 -24.320 1.060 3.679 1.00 0.00 H ATOM 312 HE3 TRP A 55 -22.409 2.302 2.686 1.00 0.00 H ATOM 313 H TRP A 55 -19.234 4.850 1.610 1.00 0.00 H ATOM 314 N GLU A 56 -16.270 3.163 1.919 1.00 0.00 N ATOM 315 CA GLU A 56 -14.832 2.833 1.932 1.00 0.00 C ATOM 316 C GLU A 56 -14.100 3.424 3.150 1.00 0.00 C ATOM 317 O GLU A 56 -13.252 2.746 3.732 1.00 0.00 O ATOM 318 CB GLU A 56 -14.139 3.325 0.644 1.00 0.00 C ATOM 319 CG GLU A 56 -14.733 2.731 -0.647 1.00 0.00 C ATOM 320 CD GLU A 56 -14.041 3.218 -1.938 1.00 0.00 C ATOM 321 OE1 GLU A 56 -12.851 3.611 -1.892 1.00 0.00 O ATOM 322 OE2 GLU A 56 -14.717 3.196 -2.995 1.00 0.00 O ATOM 323 HA GLU A 56 -14.773 1.746 1.993 1.00 0.00 H ATOM 324 HB2 GLU A 56 -14.230 4.410 0.597 1.00 0.00 H ATOM 325 HB3 GLU A 56 -13.085 3.052 0.695 1.00 0.00 H ATOM 326 HG2 GLU A 56 -14.644 1.646 -0.598 1.00 0.00 H ATOM 327 HG3 GLU A 56 -15.787 3.006 -0.698 1.00 0.00 H ATOM 328 H GLU A 56 -16.567 4.011 1.395 1.00 0.00 H ATOM 329 N ASP A 57 -14.525 4.597 3.643 1.00 0.00 N ATOM 330 CA ASP A 57 -14.139 5.123 4.965 1.00 0.00 C ATOM 331 C ASP A 57 -14.379 4.083 6.056 1.00 0.00 C ATOM 332 O ASP A 57 -13.451 3.645 6.752 1.00 0.00 O ATOM 333 CB ASP A 57 -14.919 6.422 5.266 1.00 0.00 C ATOM 334 CG ASP A 57 -15.590 6.476 6.667 1.00 0.00 C ATOM 335 OD1 ASP A 57 -14.876 6.343 7.688 1.00 0.00 O ATOM 336 OD2 ASP A 57 -16.834 6.508 6.727 1.00 0.00 O ATOM 337 HA ASP A 57 -13.073 5.351 4.950 1.00 0.00 H ATOM 338 HB2 ASP A 57 -14.225 7.259 5.191 1.00 0.00 H ATOM 339 HB3 ASP A 57 -15.699 6.530 4.513 1.00 0.00 H ATOM 340 H ASP A 57 -15.165 5.170 3.057 1.00 0.00 H ATOM 341 N ARG A 58 -15.626 3.608 6.101 1.00 0.00 N ATOM 342 CA ARG A 58 -16.054 2.648 7.093 1.00 0.00 C ATOM 343 C ARG A 58 -15.282 1.352 6.929 1.00 0.00 C ATOM 344 O ARG A 58 -14.714 0.882 7.913 1.00 0.00 O ATOM 345 CB ARG A 58 -17.561 2.431 6.971 1.00 0.00 C ATOM 346 CG ARG A 58 -18.009 1.559 8.144 1.00 0.00 C ATOM 347 CD ARG A 58 -19.422 1.027 7.957 1.00 0.00 C ATOM 348 NE ARG A 58 -19.717 0.101 9.058 1.00 0.00 N ATOM 349 CZ ARG A 58 -20.135 0.409 10.266 1.00 0.00 C ATOM 350 NH1 ARG A 58 -20.502 1.622 10.579 1.00 0.00 N ATOM 351 NH2 ARG A 58 -20.139 -0.483 11.205 1.00 0.00 N ATOM 352 HA ARG A 58 -15.846 3.028 8.093 1.00 0.00 H ATOM 353 HB2 ARG A 58 -18.077 3.390 7.005 1.00 0.00 H ATOM 354 HB3 ARG A 58 -17.788 1.930 6.030 1.00 0.00 H ATOM 355 HG2 ARG A 58 -17.325 0.715 8.236 1.00 0.00 H ATOM 356 HG3 ARG A 58 -17.975 2.154 9.057 1.00 0.00 H ATOM 357 HD2 ARG A 58 -19.495 0.502 7.004 1.00 0.00 H ATOM 358 HD3 ARG A 58 -20.132 1.854 7.971 1.00 0.00 H ATOM 359 HE ARG A 58 -19.580 -0.911 8.860 1.00 0.00 H ATOM 360 HH12 ARG A 58 -20.828 1.834 11.544 1.00 0.00 H ATOM 361 HH11 ARG A 58 -20.468 2.376 9.864 1.00 0.00 H ATOM 362 HH22 ARG A 58 -20.471 -0.233 12.158 1.00 0.00 H ATOM 363 HH21 ARG A 58 -19.810 -1.449 11.006 1.00 0.00 H ATOM 364 H ARG A 58 -16.315 3.941 5.396 1.00 0.00 H ATOM 365 N TYR A 59 -15.192 0.822 5.706 1.00 0.00 N ATOM 366 CA TYR A 59 -14.500 -0.444 5.481 1.00 0.00 C ATOM 367 C TYR A 59 -13.011 -0.390 5.817 1.00 0.00 C ATOM 368 O TYR A 59 -12.501 -1.369 6.362 1.00 0.00 O ATOM 369 CB TYR A 59 -14.745 -1.003 4.072 1.00 0.00 C ATOM 370 CG TYR A 59 -15.372 -2.380 4.120 1.00 0.00 C ATOM 371 CD1 TYR A 59 -16.597 -2.560 4.796 1.00 0.00 C ATOM 372 CD2 TYR A 59 -14.697 -3.490 3.578 1.00 0.00 C ATOM 373 CE1 TYR A 59 -17.130 -3.852 4.957 1.00 0.00 C ATOM 374 CE2 TYR A 59 -15.242 -4.779 3.716 1.00 0.00 C ATOM 375 CZ TYR A 59 -16.452 -4.964 4.416 1.00 0.00 C ATOM 376 OH TYR A 59 -16.936 -6.217 4.605 1.00 0.00 O ATOM 377 HA TYR A 59 -14.944 -1.144 6.188 1.00 0.00 H ATOM 378 HB3 TYR A 59 -13.793 -1.066 3.545 1.00 0.00 H ATOM 379 HB2 TYR A 59 -15.412 -0.329 3.535 1.00 0.00 H ATOM 380 HD2 TYR A 59 -13.753 -3.351 3.052 1.00 0.00 H ATOM 381 HE2 TYR A 59 -14.728 -5.636 3.281 1.00 0.00 H ATOM 382 HE1 TYR A 59 -18.065 -3.993 5.499 1.00 0.00 H ATOM 383 HD1 TYR A 59 -17.131 -1.697 5.194 1.00 0.00 H ATOM 384 HH TYR A 59 -17.786 -6.168 5.110 1.00 0.00 H ATOM 385 H TYR A 59 -15.622 1.320 4.900 1.00 0.00 H ATOM 386 N TYR A 60 -12.387 0.791 5.760 1.00 0.00 N ATOM 387 CA TYR A 60 -11.075 0.991 6.356 1.00 0.00 C ATOM 388 C TYR A 60 -11.096 0.792 7.880 1.00 0.00 C ATOM 389 O TYR A 60 -10.433 -0.116 8.393 1.00 0.00 O ATOM 390 CB TYR A 60 -10.493 2.351 5.938 1.00 0.00 C ATOM 391 CG TYR A 60 -8.986 2.509 6.062 1.00 0.00 C ATOM 392 CD1 TYR A 60 -8.187 1.595 6.775 1.00 0.00 C ATOM 393 CD2 TYR A 60 -8.372 3.619 5.464 1.00 0.00 C ATOM 394 CE1 TYR A 60 -6.820 1.828 6.978 1.00 0.00 C ATOM 395 CE2 TYR A 60 -7.001 3.860 5.643 1.00 0.00 C ATOM 396 CZ TYR A 60 -6.234 2.970 6.417 1.00 0.00 C ATOM 397 OH TYR A 60 -4.933 3.233 6.649 1.00 0.00 O ATOM 398 HA TYR A 60 -10.406 0.222 5.970 1.00 0.00 H ATOM 399 HB3 TYR A 60 -10.959 3.116 6.559 1.00 0.00 H ATOM 400 HB2 TYR A 60 -10.760 2.519 4.895 1.00 0.00 H ATOM 401 HD2 TYR A 60 -8.965 4.301 4.855 1.00 0.00 H ATOM 402 HE2 TYR A 60 -6.533 4.732 5.185 1.00 0.00 H ATOM 403 HE1 TYR A 60 -6.221 1.131 7.564 1.00 0.00 H ATOM 404 HD1 TYR A 60 -8.640 0.689 7.177 1.00 0.00 H ATOM 405 HH TYR A 60 -4.546 2.512 7.206 1.00 0.00 H ATOM 406 H TYR A 60 -12.851 1.587 5.277 1.00 0.00 H ATOM 407 N ARG A 61 -11.899 1.562 8.622 1.00 0.00 N ATOM 408 CA ARG A 61 -11.972 1.436 10.091 1.00 0.00 C ATOM 409 C ARG A 61 -12.491 0.073 10.582 1.00 0.00 C ATOM 410 O ARG A 61 -12.187 -0.300 11.711 1.00 0.00 O ATOM 411 CB ARG A 61 -12.772 2.617 10.658 1.00 0.00 C ATOM 412 CG ARG A 61 -12.729 2.654 12.195 1.00 0.00 C ATOM 413 CD ARG A 61 -13.141 4.014 12.766 1.00 0.00 C ATOM 414 NE ARG A 61 -14.521 4.379 12.393 1.00 0.00 N ATOM 415 CZ ARG A 61 -15.289 5.271 12.991 1.00 0.00 C ATOM 416 NH1 ARG A 61 -14.898 5.914 14.057 1.00 0.00 N ATOM 417 NH2 ARG A 61 -16.476 5.535 12.526 1.00 0.00 N ATOM 418 HA ARG A 61 -10.953 1.475 10.477 1.00 0.00 H ATOM 419 HB2 ARG A 61 -12.352 3.546 10.271 1.00 0.00 H ATOM 420 HB3 ARG A 61 -13.810 2.527 10.336 1.00 0.00 H ATOM 421 HG2 ARG A 61 -13.407 1.893 12.581 1.00 0.00 H ATOM 422 HG3 ARG A 61 -11.713 2.432 12.521 1.00 0.00 H ATOM 423 HD2 ARG A 61 -12.461 4.776 12.385 1.00 0.00 H ATOM 424 HD3 ARG A 61 -13.069 3.975 13.853 1.00 0.00 H ATOM 425 HE ARG A 61 -14.931 3.883 11.576 1.00 0.00 H ATOM 426 HH12 ARG A 61 -15.527 6.611 14.504 1.00 0.00 H ATOM 427 HH11 ARG A 61 -13.957 5.730 14.459 1.00 0.00 H ATOM 428 HH22 ARG A 61 -17.076 6.239 13.002 1.00 0.00 H ATOM 429 HH21 ARG A 61 -16.824 5.042 11.679 1.00 0.00 H ATOM 430 H ARG A 61 -12.492 2.273 8.148 1.00 0.00 H ATOM 431 N GLU A 62 -13.186 -0.679 9.733 1.00 0.00 N ATOM 432 CA GLU A 62 -13.832 -1.956 10.060 1.00 0.00 C ATOM 433 C GLU A 62 -13.007 -3.197 9.650 1.00 0.00 C ATOM 434 O GLU A 62 -13.111 -4.224 10.316 1.00 0.00 O ATOM 435 CB GLU A 62 -15.237 -1.917 9.427 1.00 0.00 C ATOM 436 CG GLU A 62 -16.208 -3.003 9.908 1.00 0.00 C ATOM 437 CD GLU A 62 -17.675 -2.590 9.682 1.00 0.00 C ATOM 438 OE1 GLU A 62 -17.990 -2.008 8.620 1.00 0.00 O ATOM 439 OE2 GLU A 62 -18.400 -2.462 10.696 1.00 0.00 O ATOM 440 HA GLU A 62 -13.907 -2.067 11.142 1.00 0.00 H ATOM 441 HB2 GLU A 62 -15.680 -0.947 9.651 1.00 0.00 H ATOM 442 HB3 GLU A 62 -15.123 -2.022 8.348 1.00 0.00 H ATOM 443 HG2 GLU A 62 -16.010 -3.924 9.359 1.00 0.00 H ATOM 444 HG3 GLU A 62 -16.048 -3.175 10.972 1.00 0.00 H ATOM 445 H GLU A 62 -13.279 -0.334 8.756 1.00 0.00 H ATOM 446 N ASN A 63 -12.022 -3.056 8.745 1.00 0.00 N ATOM 447 CA ASN A 63 -11.225 -4.188 8.229 1.00 0.00 C ATOM 448 C ASN A 63 -9.700 -3.968 8.267 1.00 0.00 C ATOM 449 O ASN A 63 -8.942 -4.906 8.011 1.00 0.00 O ATOM 450 CB ASN A 63 -11.691 -4.567 6.809 1.00 0.00 C ATOM 451 CG ASN A 63 -13.143 -4.998 6.775 1.00 0.00 C ATOM 452 OD1 ASN A 63 -13.479 -6.127 7.110 1.00 0.00 O ATOM 453 ND2 ASN A 63 -14.026 -4.041 6.612 1.00 0.00 N ATOM 454 HA ASN A 63 -11.410 -5.017 8.913 1.00 0.00 H ATOM 455 HB2 ASN A 63 -11.566 -3.703 6.157 1.00 0.00 H ATOM 456 HB3 ASN A 63 -11.073 -5.388 6.445 1.00 0.00 H ATOM 457 HD22 ASN A 63 -13.716 -3.090 6.327 1.00 0.00 H ATOM 458 HD21 ASN A 63 -15.036 -4.233 6.768 1.00 0.00 H ATOM 459 H ASN A 63 -11.811 -2.101 8.390 1.00 0.00 H ATOM 460 N MET A 64 -9.204 -2.813 8.728 1.00 0.00 N ATOM 461 CA MET A 64 -7.761 -2.539 8.897 1.00 0.00 C ATOM 462 C MET A 64 -6.973 -3.555 9.747 1.00 0.00 C ATOM 463 O MET A 64 -5.761 -3.681 9.591 1.00 0.00 O ATOM 464 CB MET A 64 -7.540 -1.122 9.441 1.00 0.00 C ATOM 465 CG MET A 64 -8.228 -0.830 10.782 1.00 0.00 C ATOM 466 SD MET A 64 -7.295 -1.349 12.250 1.00 0.00 S ATOM 467 CE MET A 64 -6.664 0.259 12.780 1.00 0.00 C ATOM 468 HA MET A 64 -7.354 -2.640 7.891 1.00 0.00 H ATOM 469 HB2 MET A 64 -6.468 -0.972 9.570 1.00 0.00 H ATOM 470 HB3 MET A 64 -7.919 -0.413 8.704 1.00 0.00 H ATOM 471 HG2 MET A 64 -9.187 -1.347 10.790 1.00 0.00 H ATOM 472 HG3 MET A 64 -8.396 0.245 10.850 1.00 0.00 H ATOM 473 HE1 MET A 64 -6.051 0.687 11.987 1.00 0.00 H ATOM 474 HE2 MET A 64 -7.501 0.924 12.993 1.00 0.00 H ATOM 475 HE3 MET A 64 -6.061 0.133 13.679 1.00 0.00 H ATOM 476 H MET A 64 -9.876 -2.061 8.983 1.00 0.00 H ATOM 477 N ASN A 65 -7.646 -4.331 10.596 1.00 0.00 N ATOM 478 CA ASN A 65 -7.058 -5.410 11.395 1.00 0.00 C ATOM 479 C ASN A 65 -6.625 -6.617 10.535 1.00 0.00 C ATOM 480 O ASN A 65 -5.777 -7.411 10.945 1.00 0.00 O ATOM 481 CB ASN A 65 -8.095 -5.864 12.442 1.00 0.00 C ATOM 482 CG ASN A 65 -8.825 -4.716 13.118 1.00 0.00 C ATOM 483 OD1 ASN A 65 -9.664 -4.064 12.529 1.00 0.00 O ATOM 484 ND2 ASN A 65 -8.509 -4.391 14.348 1.00 0.00 N ATOM 485 HA ASN A 65 -6.158 -5.024 11.875 1.00 0.00 H ATOM 486 HB2 ASN A 65 -8.832 -6.495 11.945 1.00 0.00 H ATOM 487 HB3 ASN A 65 -7.580 -6.443 13.208 1.00 0.00 H ATOM 488 HD22 ASN A 65 -7.792 -4.941 14.863 1.00 0.00 H ATOM 489 HD21 ASN A 65 -8.975 -3.583 14.808 1.00 0.00 H ATOM 490 H ASN A 65 -8.666 -4.158 10.700 1.00 0.00 H ATOM 491 N ARG A 66 -7.288 -6.787 9.385 1.00 0.00 N ATOM 492 CA ARG A 66 -7.101 -7.843 8.381 1.00 0.00 C ATOM 493 C ARG A 66 -6.263 -7.351 7.195 1.00 0.00 C ATOM 494 O ARG A 66 -5.483 -8.120 6.627 1.00 0.00 O ATOM 495 CB ARG A 66 -8.500 -8.241 7.868 1.00 0.00 C ATOM 496 CG ARG A 66 -9.376 -8.980 8.894 1.00 0.00 C ATOM 497 CD ARG A 66 -10.864 -8.817 8.544 1.00 0.00 C ATOM 498 NE ARG A 66 -11.672 -9.927 9.084 1.00 0.00 N ATOM 499 CZ ARG A 66 -12.804 -10.349 8.546 1.00 0.00 C ATOM 500 NH1 ARG A 66 -13.488 -9.641 7.692 1.00 0.00 N ATOM 501 NH2 ARG A 66 -13.312 -11.490 8.925 1.00 0.00 N ATOM 502 HA ARG A 66 -6.576 -8.683 8.835 1.00 0.00 H ATOM 503 HB2 ARG A 66 -9.022 -7.333 7.567 1.00 0.00 H ATOM 504 HB3 ARG A 66 -8.372 -8.889 7.001 1.00 0.00 H ATOM 505 HG2 ARG A 66 -9.119 -10.039 8.889 1.00 0.00 H ATOM 506 HG3 ARG A 66 -9.193 -8.568 9.886 1.00 0.00 H ATOM 507 HD2 ARG A 66 -10.973 -8.795 7.460 1.00 0.00 H ATOM 508 HD3 ARG A 66 -11.226 -7.878 8.964 1.00 0.00 H ATOM 509 HE ARG A 66 -11.330 -10.407 9.941 1.00 0.00 H ATOM 510 HH12 ARG A 66 -14.373 -10.017 7.296 1.00 0.00 H ATOM 511 HH11 ARG A 66 -13.148 -8.700 7.406 1.00 0.00 H ATOM 512 HH22 ARG A 66 -14.202 -11.828 8.506 1.00 0.00 H ATOM 513 HH21 ARG A 66 -12.827 -12.061 9.646 1.00 0.00 H ATOM 514 H ARG A 66 -8.027 -6.085 9.176 1.00 0.00 H ATOM 515 N TYR A 67 -6.445 -6.084 6.818 1.00 0.00 N ATOM 516 CA TYR A 67 -5.918 -5.512 5.578 1.00 0.00 C ATOM 517 C TYR A 67 -4.368 -5.431 5.523 1.00 0.00 C ATOM 518 O TYR A 67 -3.693 -5.196 6.533 1.00 0.00 O ATOM 519 CB TYR A 67 -6.618 -4.164 5.290 1.00 0.00 C ATOM 520 CG TYR A 67 -5.757 -2.910 5.248 1.00 0.00 C ATOM 521 CD1 TYR A 67 -5.125 -2.433 6.411 1.00 0.00 C ATOM 522 CD2 TYR A 67 -5.642 -2.180 4.051 1.00 0.00 C ATOM 523 CE1 TYR A 67 -4.401 -1.228 6.384 1.00 0.00 C ATOM 524 CE2 TYR A 67 -4.872 -1.005 4.002 1.00 0.00 C ATOM 525 CZ TYR A 67 -4.251 -0.528 5.170 1.00 0.00 C ATOM 526 OH TYR A 67 -3.491 0.591 5.118 1.00 0.00 O ATOM 527 HA TYR A 67 -6.158 -6.202 4.769 1.00 0.00 H ATOM 528 HB3 TYR A 67 -7.370 -4.016 6.065 1.00 0.00 H ATOM 529 HB2 TYR A 67 -7.109 -4.253 4.321 1.00 0.00 H ATOM 530 HD2 TYR A 67 -6.154 -2.528 3.154 1.00 0.00 H ATOM 531 HE2 TYR A 67 -4.757 -0.465 3.062 1.00 0.00 H ATOM 532 HE1 TYR A 67 -3.957 -0.836 7.299 1.00 0.00 H ATOM 533 HD1 TYR A 67 -5.197 -3.001 7.339 1.00 0.00 H ATOM 534 HH TYR A 67 -3.131 0.786 6.019 1.00 0.00 H ATOM 535 H TYR A 67 -6.996 -5.464 7.445 1.00 0.00 H ATOM 536 N PRO A 68 -3.758 -5.568 4.331 1.00 0.00 N ATOM 537 CA PRO A 68 -2.321 -5.398 4.119 1.00 0.00 C ATOM 538 C PRO A 68 -1.849 -3.936 4.237 1.00 0.00 C ATOM 539 O PRO A 68 -1.699 -3.219 3.255 1.00 0.00 O ATOM 540 CB PRO A 68 -2.049 -6.022 2.751 1.00 0.00 C ATOM 541 CG PRO A 68 -3.365 -5.891 2.004 1.00 0.00 C ATOM 542 CD PRO A 68 -4.385 -6.082 3.125 1.00 0.00 C ATOM 543 HA PRO A 68 -1.743 -5.890 4.901 1.00 0.00 H ATOM 544 HD3 PRO A 68 -5.297 -5.527 2.906 1.00 0.00 H ATOM 545 HD2 PRO A 68 -4.624 -7.139 3.243 1.00 0.00 H ATOM 546 HG3 PRO A 68 -3.466 -6.662 1.240 1.00 0.00 H ATOM 547 HG2 PRO A 68 -3.463 -4.909 1.542 1.00 0.00 H ATOM 548 HB2 PRO A 68 -1.256 -5.483 2.232 1.00 0.00 H ATOM 549 HB3 PRO A 68 -1.767 -7.070 2.854 1.00 0.00 H ATOM 550 N ASN A 69 -1.343 -3.600 5.424 1.00 0.00 N ATOM 551 CA ASN A 69 -0.997 -2.226 5.817 1.00 0.00 C ATOM 552 C ASN A 69 0.453 -1.754 5.523 1.00 0.00 C ATOM 553 O ASN A 69 0.987 -0.922 6.251 1.00 0.00 O ATOM 554 CB ASN A 69 -1.365 -2.106 7.311 1.00 0.00 C ATOM 555 CG ASN A 69 -0.302 -2.563 8.300 1.00 0.00 C ATOM 556 OD1 ASN A 69 -0.116 -1.980 9.349 1.00 0.00 O ATOM 557 ND2 ASN A 69 0.446 -3.607 8.015 1.00 0.00 N ATOM 558 HA ASN A 69 -1.565 -1.543 5.185 1.00 0.00 H ATOM 559 HB2 ASN A 69 -1.584 -1.058 7.517 1.00 0.00 H ATOM 560 HB3 ASN A 69 -2.260 -2.704 7.483 1.00 0.00 H ATOM 561 HD22 ASN A 69 0.303 -4.121 7.122 1.00 0.00 H ATOM 562 HD21 ASN A 69 1.180 -3.919 8.683 1.00 0.00 H ATOM 563 H ASN A 69 -1.183 -4.359 6.117 1.00 0.00 H ATOM 564 N GLN A 70 1.191 -2.438 4.649 1.00 0.00 N ATOM 565 CA GLN A 70 2.629 -2.193 4.431 1.00 0.00 C ATOM 566 C GLN A 70 2.981 -2.417 2.963 1.00 0.00 C ATOM 567 O GLN A 70 2.291 -3.185 2.291 1.00 0.00 O ATOM 568 CB GLN A 70 3.464 -3.090 5.366 1.00 0.00 C ATOM 569 CG GLN A 70 3.401 -4.584 5.015 1.00 0.00 C ATOM 570 CD GLN A 70 3.939 -5.516 6.097 1.00 0.00 C ATOM 571 OE1 GLN A 70 3.602 -6.687 6.100 1.00 0.00 O ATOM 572 NE2 GLN A 70 4.627 -5.053 7.119 1.00 0.00 N ATOM 573 HA GLN A 70 2.864 -1.156 4.671 1.00 0.00 H ATOM 574 HB2 GLN A 70 4.504 -2.768 5.312 1.00 0.00 H ATOM 575 HB3 GLN A 70 3.097 -2.961 6.384 1.00 0.00 H ATOM 576 HG2 GLN A 70 2.359 -4.846 4.828 1.00 0.00 H ATOM 577 HG3 GLN A 70 3.983 -4.745 4.108 1.00 0.00 H ATOM 578 HE22 GLN A 70 4.925 -4.057 7.137 1.00 0.00 H ATOM 579 HE21 GLN A 70 4.873 -5.683 7.909 1.00 0.00 H ATOM 580 H GLN A 70 0.728 -3.184 4.091 1.00 0.00 H ATOM 581 N VAL A 71 4.082 -1.837 2.482 1.00 0.00 N ATOM 582 CA VAL A 71 4.345 -1.713 1.035 1.00 0.00 C ATOM 583 C VAL A 71 5.752 -2.190 0.683 1.00 0.00 C ATOM 584 O VAL A 71 6.684 -1.942 1.442 1.00 0.00 O ATOM 585 CB VAL A 71 4.071 -0.273 0.543 1.00 0.00 C ATOM 586 CG1 VAL A 71 2.703 0.219 1.039 1.00 0.00 C ATOM 587 CG2 VAL A 71 5.111 0.767 0.977 1.00 0.00 C ATOM 588 HA VAL A 71 3.652 -2.368 0.507 1.00 0.00 H ATOM 589 HB VAL A 71 4.112 -0.352 -0.543 1.00 0.00 H ATOM 590 HG11 VAL A 71 1.922 -0.439 0.658 1.00 0.00 H ATOM 591 HG12 VAL A 71 2.688 0.210 2.129 1.00 0.00 H ATOM 592 HG13 VAL A 71 2.532 1.234 0.681 1.00 0.00 H ATOM 593 HG21 VAL A 71 5.148 0.809 2.066 1.00 0.00 H ATOM 594 HG22 VAL A 71 6.090 0.484 0.589 1.00 0.00 H ATOM 595 HG23 VAL A 71 4.832 1.744 0.584 1.00 0.00 H ATOM 596 H VAL A 71 4.781 -1.458 3.152 1.00 0.00 H ATOM 597 N TYR A 72 5.883 -2.936 -0.418 1.00 0.00 N ATOM 598 CA TYR A 72 7.157 -3.443 -0.943 1.00 0.00 C ATOM 599 C TYR A 72 7.463 -2.728 -2.262 1.00 0.00 C ATOM 600 O TYR A 72 6.653 -2.822 -3.174 1.00 0.00 O ATOM 601 CB TYR A 72 7.073 -4.960 -1.211 1.00 0.00 C ATOM 602 CG TYR A 72 7.267 -5.898 -0.034 1.00 0.00 C ATOM 603 CD1 TYR A 72 6.252 -6.038 0.930 1.00 0.00 C ATOM 604 CD2 TYR A 72 8.415 -6.714 0.035 1.00 0.00 C ATOM 605 CE1 TYR A 72 6.370 -6.993 1.958 1.00 0.00 C ATOM 606 CE2 TYR A 72 8.537 -7.674 1.058 1.00 0.00 C ATOM 607 CZ TYR A 72 7.513 -7.819 2.017 1.00 0.00 C ATOM 608 OH TYR A 72 7.634 -8.755 2.993 1.00 0.00 O ATOM 609 HA TYR A 72 7.940 -3.258 -0.208 1.00 0.00 H ATOM 610 HB3 TYR A 72 7.837 -5.203 -1.950 1.00 0.00 H ATOM 611 HB2 TYR A 72 6.087 -5.162 -1.629 1.00 0.00 H ATOM 612 HD2 TYR A 72 9.208 -6.602 -0.704 1.00 0.00 H ATOM 613 HE2 TYR A 72 9.424 -8.306 1.109 1.00 0.00 H ATOM 614 HE1 TYR A 72 5.582 -7.094 2.705 1.00 0.00 H ATOM 615 HD1 TYR A 72 5.368 -5.403 0.881 1.00 0.00 H ATOM 616 HH TYR A 72 6.836 -8.725 3.578 1.00 0.00 H ATOM 617 H TYR A 72 5.017 -3.175 -0.942 1.00 0.00 H ATOM 618 N TYR A 73 8.664 -2.187 -2.447 1.00 0.00 N ATOM 619 CA TYR A 73 9.084 -1.476 -3.663 1.00 0.00 C ATOM 620 C TYR A 73 10.464 -1.928 -4.136 1.00 0.00 C ATOM 621 O TYR A 73 11.282 -2.381 -3.343 1.00 0.00 O ATOM 622 CB TYR A 73 9.121 0.036 -3.406 1.00 0.00 C ATOM 623 CG TYR A 73 9.789 0.485 -2.121 1.00 0.00 C ATOM 624 CD1 TYR A 73 11.189 0.620 -2.050 1.00 0.00 C ATOM 625 CD2 TYR A 73 8.995 0.827 -1.010 1.00 0.00 C ATOM 626 CE1 TYR A 73 11.798 1.122 -0.887 1.00 0.00 C ATOM 627 CE2 TYR A 73 9.604 1.319 0.159 1.00 0.00 C ATOM 628 CZ TYR A 73 11.004 1.478 0.220 1.00 0.00 C ATOM 629 OH TYR A 73 11.566 2.010 1.331 1.00 0.00 O ATOM 630 HA TYR A 73 8.356 -1.709 -4.440 1.00 0.00 H ATOM 631 HB3 TYR A 73 8.092 0.395 -3.388 1.00 0.00 H ATOM 632 HB2 TYR A 73 9.652 0.501 -4.236 1.00 0.00 H ATOM 633 HD2 TYR A 73 7.912 0.711 -1.055 1.00 0.00 H ATOM 634 HE2 TYR A 73 8.991 1.579 1.022 1.00 0.00 H ATOM 635 HE1 TYR A 73 12.881 1.235 -0.842 1.00 0.00 H ATOM 636 HD1 TYR A 73 11.804 0.333 -2.903 1.00 0.00 H ATOM 637 HH TYR A 73 12.548 2.053 1.214 1.00 0.00 H ATOM 638 H TYR A 73 9.356 -2.273 -1.675 1.00 0.00 H ATOM 639 N ARG A 74 10.753 -1.786 -5.432 1.00 0.00 N ATOM 640 CA ARG A 74 12.144 -1.770 -5.919 1.00 0.00 C ATOM 641 C ARG A 74 12.806 -0.472 -5.428 1.00 0.00 C ATOM 642 O ARG A 74 12.066 0.491 -5.266 1.00 0.00 O ATOM 643 CB ARG A 74 12.088 -1.850 -7.452 1.00 0.00 C ATOM 644 CG ARG A 74 13.450 -2.136 -8.101 1.00 0.00 C ATOM 645 CD ARG A 74 13.301 -2.566 -9.563 1.00 0.00 C ATOM 646 NE ARG A 74 12.598 -3.861 -9.689 1.00 0.00 N ATOM 647 CZ ARG A 74 12.499 -4.580 -10.791 1.00 0.00 C ATOM 648 NH1 ARG A 74 13.156 -4.271 -11.875 1.00 0.00 N ATOM 649 NH2 ARG A 74 11.717 -5.622 -10.835 1.00 0.00 N ATOM 650 HA ARG A 74 12.733 -2.608 -5.546 1.00 0.00 H ATOM 651 HB2 ARG A 74 11.398 -2.647 -7.731 1.00 0.00 H ATOM 652 HB3 ARG A 74 11.716 -0.899 -7.834 1.00 0.00 H ATOM 653 HG2 ARG A 74 14.059 -1.233 -8.058 1.00 0.00 H ATOM 654 HG3 ARG A 74 13.945 -2.933 -7.547 1.00 0.00 H ATOM 655 HD2 ARG A 74 14.293 -2.659 -10.006 1.00 0.00 H ATOM 656 HD3 ARG A 74 12.735 -1.804 -10.099 1.00 0.00 H ATOM 657 HE ARG A 74 12.142 -4.238 -8.834 1.00 0.00 H ATOM 658 HH12 ARG A 74 13.057 -4.858 -12.728 1.00 0.00 H ATOM 659 HH11 ARG A 74 13.779 -3.438 -11.886 1.00 0.00 H ATOM 660 HH22 ARG A 74 11.646 -6.182 -11.708 1.00 0.00 H ATOM 661 HH21 ARG A 74 11.164 -5.893 -9.997 1.00 0.00 H ATOM 662 H ARG A 74 9.976 -1.684 -6.116 1.00 0.00 H ATOM 663 N PRO A 75 14.118 -0.393 -5.151 1.00 0.00 N ATOM 664 CA PRO A 75 14.734 0.900 -4.849 1.00 0.00 C ATOM 665 C PRO A 75 14.536 1.917 -5.993 1.00 0.00 C ATOM 666 O PRO A 75 14.227 1.555 -7.133 1.00 0.00 O ATOM 667 CB PRO A 75 16.200 0.602 -4.518 1.00 0.00 C ATOM 668 CG PRO A 75 16.455 -0.765 -5.156 1.00 0.00 C ATOM 669 CD PRO A 75 15.099 -1.460 -5.060 1.00 0.00 C ATOM 670 HA PRO A 75 14.259 1.388 -3.998 1.00 0.00 H ATOM 671 HD3 PRO A 75 14.972 -2.167 -5.880 1.00 0.00 H ATOM 672 HD2 PRO A 75 15.005 -1.986 -4.110 1.00 0.00 H ATOM 673 HG3 PRO A 75 17.216 -1.317 -4.605 1.00 0.00 H ATOM 674 HG2 PRO A 75 16.766 -0.659 -6.195 1.00 0.00 H ATOM 675 HB2 PRO A 75 16.856 1.359 -4.948 1.00 0.00 H ATOM 676 HB3 PRO A 75 16.353 0.561 -3.440 1.00 0.00 H ATOM 677 N VAL A 76 14.470 3.196 -5.611 1.00 0.00 N ATOM 678 CA VAL A 76 14.152 4.333 -6.502 1.00 0.00 C ATOM 679 C VAL A 76 15.271 4.688 -7.486 1.00 0.00 C ATOM 680 O VAL A 76 15.025 5.432 -8.428 1.00 0.00 O ATOM 681 CB VAL A 76 13.801 5.594 -5.689 1.00 0.00 C ATOM 682 CG1 VAL A 76 12.521 5.406 -4.867 1.00 0.00 C ATOM 683 CG2 VAL A 76 14.938 6.000 -4.748 1.00 0.00 C ATOM 684 HA VAL A 76 13.294 3.997 -7.085 1.00 0.00 H ATOM 685 HB VAL A 76 13.642 6.387 -6.420 1.00 0.00 H ATOM 686 HG11 VAL A 76 11.689 5.188 -5.537 1.00 0.00 H ATOM 687 HG12 VAL A 76 12.656 4.577 -4.172 1.00 0.00 H ATOM 688 HG13 VAL A 76 12.311 6.319 -4.310 1.00 0.00 H ATOM 689 HG21 VAL A 76 15.138 5.187 -4.050 1.00 0.00 H ATOM 690 HG22 VAL A 76 15.835 6.208 -5.332 1.00 0.00 H ATOM 691 HG23 VAL A 76 14.648 6.893 -4.194 1.00 0.00 H ATOM 692 H VAL A 76 14.657 3.408 -4.610 1.00 0.00 H ATOM 693 N ASP A 77 16.461 4.122 -7.291 1.00 0.00 N ATOM 694 CA ASP A 77 17.712 4.378 -8.015 1.00 0.00 C ATOM 695 C ASP A 77 17.620 4.207 -9.540 1.00 0.00 C ATOM 696 O ASP A 77 18.193 4.983 -10.298 1.00 0.00 O ATOM 697 CB ASP A 77 18.788 3.435 -7.436 1.00 0.00 C ATOM 698 CG ASP A 77 18.519 1.945 -7.726 1.00 0.00 C ATOM 699 OD1 ASP A 77 17.405 1.472 -7.398 1.00 0.00 O ATOM 700 OD2 ASP A 77 19.315 1.315 -8.454 1.00 0.00 O ATOM 701 HA ASP A 77 17.964 5.429 -7.870 1.00 0.00 H ATOM 702 HB2 ASP A 77 19.752 3.703 -7.869 1.00 0.00 H ATOM 703 HB3 ASP A 77 18.825 3.575 -6.356 1.00 0.00 H ATOM 704 H ASP A 77 16.510 3.412 -6.533 1.00 0.00 H ATOM 705 N GLN A 78 16.802 3.258 -10.000 1.00 0.00 N ATOM 706 CA GLN A 78 16.586 2.988 -11.430 1.00 0.00 C ATOM 707 C GLN A 78 15.477 3.871 -12.042 1.00 0.00 C ATOM 708 O GLN A 78 15.005 3.593 -13.147 1.00 0.00 O ATOM 709 CB GLN A 78 16.255 1.497 -11.647 1.00 0.00 C ATOM 710 CG GLN A 78 17.227 0.540 -10.947 1.00 0.00 C ATOM 711 CD GLN A 78 16.812 -0.923 -11.028 1.00 0.00 C ATOM 712 OE1 GLN A 78 16.410 -1.478 -12.043 1.00 0.00 O ATOM 713 NE2 GLN A 78 16.770 -1.598 -9.902 1.00 0.00 N ATOM 714 HA GLN A 78 17.514 3.237 -11.944 1.00 0.00 H ATOM 715 HB2 GLN A 78 15.252 1.308 -11.265 1.00 0.00 H ATOM 716 HB3 GLN A 78 16.280 1.291 -12.717 1.00 0.00 H ATOM 717 HG2 GLN A 78 18.208 0.646 -11.410 1.00 0.00 H ATOM 718 HG3 GLN A 78 17.291 0.822 -9.896 1.00 0.00 H ATOM 719 HE22 GLN A 78 17.103 -1.159 -9.020 1.00 0.00 H ATOM 720 HE21 GLN A 78 16.404 -2.571 -9.893 1.00 0.00 H ATOM 721 H GLN A 78 16.288 2.676 -9.308 1.00 0.00 H ATOM 722 N TYR A 79 14.916 4.805 -11.269 1.00 0.00 N ATOM 723 CA TYR A 79 13.649 5.477 -11.554 1.00 0.00 C ATOM 724 C TYR A 79 13.739 7.003 -11.412 1.00 0.00 C ATOM 725 O TYR A 79 14.769 7.585 -11.105 1.00 0.00 O ATOM 726 CB TYR A 79 12.536 4.885 -10.665 1.00 0.00 C ATOM 727 CG TYR A 79 11.997 3.558 -11.152 1.00 0.00 C ATOM 728 CD1 TYR A 79 12.580 2.354 -10.713 1.00 0.00 C ATOM 729 CD2 TYR A 79 10.895 3.532 -12.031 1.00 0.00 C ATOM 730 CE1 TYR A 79 12.066 1.122 -11.159 1.00 0.00 C ATOM 731 CE2 TYR A 79 10.375 2.301 -12.472 1.00 0.00 C ATOM 732 CZ TYR A 79 10.961 1.095 -12.038 1.00 0.00 C ATOM 733 OH TYR A 79 10.443 -0.086 -12.464 1.00 0.00 O ATOM 734 HA TYR A 79 13.402 5.295 -12.600 1.00 0.00 H ATOM 735 HB3 TYR A 79 11.712 5.597 -10.628 1.00 0.00 H ATOM 736 HB2 TYR A 79 12.938 4.744 -9.661 1.00 0.00 H ATOM 737 HD2 TYR A 79 10.446 4.466 -12.369 1.00 0.00 H ATOM 738 HE2 TYR A 79 9.520 2.280 -13.148 1.00 0.00 H ATOM 739 HE1 TYR A 79 12.521 0.189 -10.826 1.00 0.00 H ATOM 740 HD1 TYR A 79 13.428 2.376 -10.029 1.00 0.00 H ATOM 741 HH TYR A 79 10.962 -0.833 -12.073 1.00 0.00 H ATOM 742 H TYR A 79 15.418 5.074 -10.399 1.00 0.00 H ATOM 743 N ASN A 80 12.659 7.655 -11.839 1.00 0.00 N ATOM 744 CA ASN A 80 12.543 9.108 -11.993 1.00 0.00 C ATOM 745 C ASN A 80 11.085 9.604 -11.842 1.00 0.00 C ATOM 746 O ASN A 80 10.779 10.747 -12.163 1.00 0.00 O ATOM 747 CB ASN A 80 13.117 9.476 -13.379 1.00 0.00 C ATOM 748 CG ASN A 80 12.337 8.863 -14.535 1.00 0.00 C ATOM 749 OD1 ASN A 80 11.451 9.453 -15.123 1.00 0.00 O ATOM 750 ND2 ASN A 80 12.491 7.587 -14.801 1.00 0.00 N ATOM 751 HA ASN A 80 13.104 9.602 -11.200 1.00 0.00 H ATOM 752 HB2 ASN A 80 13.098 10.561 -13.485 1.00 0.00 H ATOM 753 HB3 ASN A 80 14.148 9.125 -13.432 1.00 0.00 H ATOM 754 HD22 ASN A 80 13.236 7.042 -14.322 1.00 0.00 H ATOM 755 HD21 ASN A 80 11.868 7.121 -15.491 1.00 0.00 H ATOM 756 H ASN A 80 11.826 7.083 -12.085 1.00 0.00 H ATOM 757 N ASN A 81 10.146 8.688 -11.576 1.00 0.00 N ATOM 758 CA ASN A 81 8.706 8.929 -11.640 1.00 0.00 C ATOM 759 C ASN A 81 7.952 7.927 -10.759 1.00 0.00 C ATOM 760 O ASN A 81 8.115 6.714 -10.909 1.00 0.00 O ATOM 761 CB ASN A 81 8.224 8.783 -13.097 1.00 0.00 C ATOM 762 CG ASN A 81 8.166 10.107 -13.831 1.00 0.00 C ATOM 763 OD1 ASN A 81 7.272 10.894 -13.578 1.00 0.00 O ATOM 764 ND2 ASN A 81 8.791 10.195 -14.979 1.00 0.00 N ATOM 765 HA ASN A 81 8.506 9.938 -11.279 1.00 0.00 H ATOM 766 HB2 ASN A 81 8.909 8.121 -13.626 1.00 0.00 H ATOM 767 HB3 ASN A 81 7.227 8.343 -13.092 1.00 0.00 H ATOM 768 HD22 ASN A 81 9.556 9.529 -15.207 1.00 0.00 H ATOM 769 HD21 ASN A 81 8.522 10.931 -15.663 1.00 0.00 H ATOM 770 H ASN A 81 10.464 7.736 -11.304 1.00 0.00 H ATOM 771 N GLN A 82 6.964 8.434 -10.020 1.00 0.00 N ATOM 772 CA GLN A 82 6.198 7.648 -9.053 1.00 0.00 C ATOM 773 C GLN A 82 5.199 6.661 -9.692 1.00 0.00 C ATOM 774 O GLN A 82 5.324 5.469 -9.459 1.00 0.00 O ATOM 775 CB GLN A 82 5.544 8.614 -8.047 1.00 0.00 C ATOM 776 CG GLN A 82 4.441 9.494 -8.661 1.00 0.00 C ATOM 777 CD GLN A 82 4.128 10.742 -7.851 1.00 0.00 C ATOM 778 OE1 GLN A 82 4.988 11.547 -7.551 1.00 0.00 O ATOM 779 NE2 GLN A 82 2.872 11.012 -7.582 1.00 0.00 N ATOM 780 HA GLN A 82 6.886 6.989 -8.523 1.00 0.00 H ATOM 781 HB2 GLN A 82 5.106 8.026 -7.240 1.00 0.00 H ATOM 782 HB3 GLN A 82 6.318 9.265 -7.642 1.00 0.00 H ATOM 783 HG2 GLN A 82 4.761 9.802 -9.656 1.00 0.00 H ATOM 784 HG3 GLN A 82 3.531 8.899 -8.741 1.00 0.00 H ATOM 785 HE22 GLN A 82 2.128 10.330 -7.834 1.00 0.00 H ATOM 786 HE21 GLN A 82 2.621 11.907 -7.117 1.00 0.00 H ATOM 787 H GLN A 82 6.726 9.440 -10.137 1.00 0.00 H ATOM 788 N ASN A 83 4.283 7.084 -10.576 1.00 0.00 N ATOM 789 CA ASN A 83 3.074 6.292 -10.900 1.00 0.00 C ATOM 790 C ASN A 83 3.362 4.860 -11.410 1.00 0.00 C ATOM 791 O ASN A 83 2.755 3.893 -10.953 1.00 0.00 O ATOM 792 CB ASN A 83 2.214 7.072 -11.918 1.00 0.00 C ATOM 793 CG ASN A 83 1.735 8.429 -11.418 1.00 0.00 C ATOM 794 OD1 ASN A 83 1.639 8.691 -10.235 1.00 0.00 O ATOM 795 ND2 ASN A 83 1.646 9.409 -12.284 1.00 0.00 N ATOM 796 HA ASN A 83 2.533 6.153 -9.964 1.00 0.00 H ATOM 797 HB2 ASN A 83 2.808 7.229 -12.819 1.00 0.00 H ATOM 798 HB3 ASN A 83 1.340 6.468 -12.161 1.00 0.00 H ATOM 799 HD22 ASN A 83 1.725 9.212 -13.302 1.00 0.00 H ATOM 800 HD21 ASN A 83 1.497 10.384 -11.953 1.00 0.00 H ATOM 801 H ASN A 83 4.427 7.999 -11.050 1.00 0.00 H ATOM 802 N ASN A 84 4.375 4.705 -12.268 1.00 0.00 N ATOM 803 CA ASN A 84 4.785 3.411 -12.828 1.00 0.00 C ATOM 804 C ASN A 84 5.455 2.494 -11.786 1.00 0.00 C ATOM 805 O ASN A 84 5.006 1.370 -11.568 1.00 0.00 O ATOM 806 CB ASN A 84 5.723 3.687 -14.016 1.00 0.00 C ATOM 807 CG ASN A 84 4.997 4.408 -15.136 1.00 0.00 C ATOM 808 OD1 ASN A 84 4.027 3.920 -15.682 1.00 0.00 O ATOM 809 ND2 ASN A 84 5.311 5.660 -15.383 1.00 0.00 N ATOM 810 HA ASN A 84 3.898 2.871 -13.159 1.00 0.00 H ATOM 811 HB2 ASN A 84 6.554 4.304 -13.676 1.00 0.00 H ATOM 812 HB3 ASN A 84 6.107 2.739 -14.394 1.00 0.00 H ATOM 813 HD22 ASN A 84 6.139 6.089 -14.922 1.00 0.00 H ATOM 814 HD21 ASN A 84 4.732 6.222 -16.039 1.00 0.00 H ATOM 815 H ASN A 84 4.905 5.552 -12.556 1.00 0.00 H ATOM 816 N PHE A 85 6.411 3.037 -11.028 1.00 0.00 N ATOM 817 CA PHE A 85 7.041 2.388 -9.874 1.00 0.00 C ATOM 818 C PHE A 85 6.010 1.970 -8.817 1.00 0.00 C ATOM 819 O PHE A 85 6.040 0.862 -8.282 1.00 0.00 O ATOM 820 CB PHE A 85 8.026 3.412 -9.293 1.00 0.00 C ATOM 821 CG PHE A 85 8.706 3.043 -7.993 1.00 0.00 C ATOM 822 CD1 PHE A 85 8.015 3.099 -6.762 1.00 0.00 C ATOM 823 CD2 PHE A 85 10.082 2.775 -8.005 1.00 0.00 C ATOM 824 CE1 PHE A 85 8.704 2.910 -5.552 1.00 0.00 C ATOM 825 CE2 PHE A 85 10.773 2.622 -6.799 1.00 0.00 C ATOM 826 CZ PHE A 85 10.093 2.708 -5.574 1.00 0.00 C ATOM 827 HA PHE A 85 7.544 1.471 -10.181 1.00 0.00 H ATOM 828 HB2 PHE A 85 8.805 3.580 -10.037 1.00 0.00 H ATOM 829 HB3 PHE A 85 7.478 4.340 -9.127 1.00 0.00 H ATOM 830 HD2 PHE A 85 10.612 2.686 -8.953 1.00 0.00 H ATOM 831 HE2 PHE A 85 11.847 2.435 -6.810 1.00 0.00 H ATOM 832 HZ PHE A 85 10.644 2.618 -4.638 1.00 0.00 H ATOM 833 HE1 PHE A 85 8.165 2.920 -4.605 1.00 0.00 H ATOM 834 HD1 PHE A 85 6.942 3.290 -6.751 1.00 0.00 H ATOM 835 H PHE A 85 6.734 3.994 -11.275 1.00 0.00 H ATOM 836 N VAL A 86 5.073 2.870 -8.530 1.00 0.00 N ATOM 837 CA VAL A 86 4.028 2.718 -7.521 1.00 0.00 C ATOM 838 C VAL A 86 3.032 1.636 -7.914 1.00 0.00 C ATOM 839 O VAL A 86 2.726 0.803 -7.064 1.00 0.00 O ATOM 840 CB VAL A 86 3.345 4.071 -7.272 1.00 0.00 C ATOM 841 CG1 VAL A 86 2.040 3.929 -6.489 1.00 0.00 C ATOM 842 CG2 VAL A 86 4.302 4.980 -6.488 1.00 0.00 C ATOM 843 HA VAL A 86 4.484 2.392 -6.586 1.00 0.00 H ATOM 844 HB VAL A 86 3.103 4.502 -8.244 1.00 0.00 H ATOM 845 HG11 VAL A 86 1.348 3.300 -7.049 1.00 0.00 H ATOM 846 HG12 VAL A 86 2.246 3.472 -5.521 1.00 0.00 H ATOM 847 HG13 VAL A 86 1.598 4.914 -6.340 1.00 0.00 H ATOM 848 HG21 VAL A 86 4.547 4.511 -5.535 1.00 0.00 H ATOM 849 HG22 VAL A 86 5.214 5.130 -7.066 1.00 0.00 H ATOM 850 HG23 VAL A 86 3.822 5.942 -6.309 1.00 0.00 H ATOM 851 H VAL A 86 5.086 3.758 -9.071 1.00 0.00 H ATOM 852 N HIS A 87 2.742 1.480 -9.212 1.00 0.00 N ATOM 853 CA HIS A 87 1.982 0.342 -9.736 1.00 0.00 C ATOM 854 C HIS A 87 2.655 -1.005 -9.444 1.00 0.00 C ATOM 855 O HIS A 87 2.006 -1.910 -8.923 1.00 0.00 O ATOM 856 CB HIS A 87 1.738 0.528 -11.238 1.00 0.00 C ATOM 857 CG HIS A 87 0.738 -0.464 -11.772 1.00 0.00 C ATOM 858 ND1 HIS A 87 0.987 -1.454 -12.704 1.00 0.00 N ATOM 859 CD2 HIS A 87 -0.573 -0.552 -11.395 1.00 0.00 C ATOM 860 CE1 HIS A 87 -0.172 -2.119 -12.913 1.00 0.00 C ATOM 861 NE2 HIS A 87 -1.129 -1.595 -12.112 1.00 0.00 N ATOM 862 HA HIS A 87 1.023 0.318 -9.218 1.00 0.00 H ATOM 863 HB2 HIS A 87 1.362 1.536 -11.412 1.00 0.00 H ATOM 864 HB3 HIS A 87 2.682 0.397 -11.767 1.00 0.00 H ATOM 865 HD2 HIS A 87 -1.083 0.080 -10.668 1.00 0.00 H ATOM 866 HE1 HIS A 87 -0.313 -2.943 -13.613 1.00 0.00 H ATOM 867 H HIS A 87 3.073 2.203 -9.882 1.00 0.00 H ATOM 868 N ASP A 88 3.965 -1.121 -9.657 1.00 0.00 N ATOM 869 CA ASP A 88 4.714 -2.325 -9.270 1.00 0.00 C ATOM 870 C ASP A 88 4.758 -2.522 -7.747 1.00 0.00 C ATOM 871 O ASP A 88 4.572 -3.641 -7.270 1.00 0.00 O ATOM 872 CB ASP A 88 6.137 -2.292 -9.850 1.00 0.00 C ATOM 873 CG ASP A 88 6.226 -2.852 -11.276 1.00 0.00 C ATOM 874 OD1 ASP A 88 5.159 -2.922 -11.935 1.00 0.00 O ATOM 875 OD2 ASP A 88 7.237 -3.565 -11.484 1.00 0.00 O ATOM 876 HA ASP A 88 4.181 -3.178 -9.690 1.00 0.00 H ATOM 877 HB2 ASP A 88 6.482 -1.258 -9.862 1.00 0.00 H ATOM 878 HB3 ASP A 88 6.787 -2.883 -9.205 1.00 0.00 H ATOM 879 H ASP A 88 4.473 -0.335 -10.111 1.00 0.00 H ATOM 880 N CYS A 89 4.874 -1.434 -6.981 1.00 0.00 N ATOM 881 CA CYS A 89 4.923 -1.451 -5.520 1.00 0.00 C ATOM 882 C CYS A 89 3.617 -1.947 -4.863 1.00 0.00 C ATOM 883 O CYS A 89 3.646 -2.830 -3.996 1.00 0.00 O ATOM 884 CB CYS A 89 5.284 -0.037 -5.048 1.00 0.00 C ATOM 885 SG CYS A 89 5.555 -0.042 -3.257 1.00 0.00 S ATOM 886 HA CYS A 89 5.680 -2.170 -5.207 1.00 0.00 H ATOM 887 HB2 CYS A 89 4.469 0.645 -5.290 1.00 0.00 H ATOM 888 HB3 CYS A 89 6.193 0.292 -5.551 1.00 0.00 H ATOM 889 HG CYS A 89 6.588 -0.905 -2.952 1.00 0.00 H ATOM 890 H CYS A 89 4.934 -0.511 -7.457 1.00 0.00 H ATOM 891 N VAL A 90 2.463 -1.427 -5.303 1.00 0.00 N ATOM 892 CA VAL A 90 1.144 -1.906 -4.856 1.00 0.00 C ATOM 893 C VAL A 90 0.906 -3.352 -5.289 1.00 0.00 C ATOM 894 O VAL A 90 0.629 -4.192 -4.430 1.00 0.00 O ATOM 895 CB VAL A 90 -0.002 -0.953 -5.277 1.00 0.00 C ATOM 896 CG1 VAL A 90 -0.217 -0.824 -6.785 1.00 0.00 C ATOM 897 CG2 VAL A 90 -1.357 -1.366 -4.702 1.00 0.00 C ATOM 898 HA VAL A 90 1.144 -1.899 -3.766 1.00 0.00 H ATOM 899 HB VAL A 90 0.340 0.000 -4.874 1.00 0.00 H ATOM 900 HG11 VAL A 90 0.692 -0.442 -7.249 1.00 0.00 H ATOM 901 HG12 VAL A 90 -0.456 -1.802 -7.202 1.00 0.00 H ATOM 902 HG13 VAL A 90 -1.040 -0.136 -6.976 1.00 0.00 H ATOM 903 HG21 VAL A 90 -1.609 -2.367 -5.053 1.00 0.00 H ATOM 904 HG22 VAL A 90 -1.304 -1.364 -3.613 1.00 0.00 H ATOM 905 HG23 VAL A 90 -2.120 -0.661 -5.031 1.00 0.00 H ATOM 906 H VAL A 90 2.501 -0.649 -5.992 1.00 0.00 H ATOM 907 N ASN A 91 1.314 -3.707 -6.514 1.00 0.00 N ATOM 908 CA ASN A 91 1.217 -5.072 -7.027 1.00 0.00 C ATOM 909 C ASN A 91 1.975 -6.091 -6.164 1.00 0.00 C ATOM 910 O ASN A 91 1.385 -7.103 -5.786 1.00 0.00 O ATOM 911 CB ASN A 91 1.720 -5.135 -8.481 1.00 0.00 C ATOM 912 CG ASN A 91 0.771 -4.546 -9.505 1.00 0.00 C ATOM 913 OD1 ASN A 91 -0.424 -4.435 -9.315 1.00 0.00 O ATOM 914 ND2 ASN A 91 1.227 -4.412 -10.728 1.00 0.00 N ATOM 915 HA ASN A 91 0.162 -5.345 -6.990 1.00 0.00 H ATOM 916 HB2 ASN A 91 2.663 -4.591 -8.538 1.00 0.00 H ATOM 917 HB3 ASN A 91 1.890 -6.181 -8.737 1.00 0.00 H ATOM 918 HD22 ASN A 91 2.246 -4.503 -10.916 1.00 0.00 H ATOM 919 HD21 ASN A 91 0.570 -4.215 -11.509 1.00 0.00 H ATOM 920 H ASN A 91 1.720 -2.975 -7.131 1.00 0.00 H ATOM 921 N ILE A 92 3.264 -5.880 -5.854 1.00 0.00 N ATOM 922 CA ILE A 92 4.034 -6.881 -5.093 1.00 0.00 C ATOM 923 C ILE A 92 3.552 -7.013 -3.640 1.00 0.00 C ATOM 924 O ILE A 92 3.425 -8.145 -3.159 1.00 0.00 O ATOM 925 CB ILE A 92 5.567 -6.673 -5.204 1.00 0.00 C ATOM 926 CG1 ILE A 92 6.394 -7.754 -4.466 1.00 0.00 C ATOM 927 CG2 ILE A 92 6.023 -5.303 -4.695 1.00 0.00 C ATOM 928 CD1 ILE A 92 6.129 -9.187 -4.943 1.00 0.00 C ATOM 929 HA ILE A 92 3.832 -7.842 -5.566 1.00 0.00 H ATOM 930 HB ILE A 92 5.757 -6.749 -6.275 1.00 0.00 H ATOM 931 HG12 ILE A 92 7.452 -7.535 -4.614 1.00 0.00 H ATOM 932 HG13 ILE A 92 6.158 -7.699 -3.403 1.00 0.00 H ATOM 933 HD11 ILE A 92 5.077 -9.431 -4.791 1.00 0.00 H ATOM 934 HD12 ILE A 92 6.372 -9.267 -6.002 1.00 0.00 H ATOM 935 HD13 ILE A 92 6.749 -9.879 -4.373 1.00 0.00 H ATOM 936 HG21 ILE A 92 5.539 -4.520 -5.279 1.00 0.00 H ATOM 937 HG22 ILE A 92 5.749 -5.197 -3.645 1.00 0.00 H ATOM 938 HG23 ILE A 92 7.105 -5.220 -4.800 1.00 0.00 H ATOM 939 H ILE A 92 3.726 -4.998 -6.155 1.00 0.00 H ATOM 940 N THR A 93 3.154 -5.916 -2.974 1.00 0.00 N ATOM 941 CA THR A 93 2.645 -6.026 -1.596 1.00 0.00 C ATOM 942 C THR A 93 1.268 -6.675 -1.546 1.00 0.00 C ATOM 943 O THR A 93 1.079 -7.614 -0.773 1.00 0.00 O ATOM 944 CB THR A 93 2.658 -4.699 -0.819 1.00 0.00 C ATOM 945 OG1 THR A 93 2.950 -5.015 0.520 1.00 0.00 O ATOM 946 CG2 THR A 93 1.354 -3.907 -0.778 1.00 0.00 C ATOM 947 HA THR A 93 3.351 -6.682 -1.086 1.00 0.00 H ATOM 948 HB THR A 93 3.381 -4.072 -1.341 1.00 0.00 H ATOM 949 HG1 THR A 93 2.968 -4.184 1.058 1.00 0.00 H ATOM 950 HG23 THR A 93 1.068 -3.628 -1.792 1.00 0.00 H ATOM 951 HG21 THR A 93 0.571 -4.522 -0.334 1.00 0.00 H ATOM 952 HG22 THR A 93 1.495 -3.008 -0.179 1.00 0.00 H ATOM 953 H THR A 93 3.206 -4.985 -3.434 1.00 0.00 H ATOM 954 N ILE A 94 0.351 -6.304 -2.451 1.00 0.00 N ATOM 955 CA ILE A 94 -0.972 -6.929 -2.538 1.00 0.00 C ATOM 956 C ILE A 94 -0.815 -8.406 -2.896 1.00 0.00 C ATOM 957 O ILE A 94 -1.270 -9.246 -2.124 1.00 0.00 O ATOM 958 CB ILE A 94 -1.908 -6.159 -3.505 1.00 0.00 C ATOM 959 CG1 ILE A 94 -2.270 -4.791 -2.871 1.00 0.00 C ATOM 960 CG2 ILE A 94 -3.182 -6.968 -3.820 1.00 0.00 C ATOM 961 CD1 ILE A 94 -3.330 -3.981 -3.631 1.00 0.00 C ATOM 962 HA ILE A 94 -1.461 -6.876 -1.565 1.00 0.00 H ATOM 963 HB ILE A 94 -1.388 -6.000 -4.450 1.00 0.00 H ATOM 964 HG12 ILE A 94 -2.643 -4.974 -1.863 1.00 0.00 H ATOM 965 HG13 ILE A 94 -1.361 -4.192 -2.818 1.00 0.00 H ATOM 966 HD11 ILE A 94 -2.972 -3.773 -4.639 1.00 0.00 H ATOM 967 HD12 ILE A 94 -4.255 -4.555 -3.684 1.00 0.00 H ATOM 968 HD13 ILE A 94 -3.512 -3.042 -3.108 1.00 0.00 H ATOM 969 HG21 ILE A 94 -2.905 -7.913 -4.286 1.00 0.00 H ATOM 970 HG22 ILE A 94 -3.725 -7.163 -2.895 1.00 0.00 H ATOM 971 HG23 ILE A 94 -3.814 -6.397 -4.500 1.00 0.00 H ATOM 972 H ILE A 94 0.588 -5.542 -3.118 1.00 0.00 H ATOM 973 N LYS A 95 0.018 -8.756 -3.885 1.00 0.00 N ATOM 974 CA LYS A 95 0.247 -10.151 -4.297 1.00 0.00 C ATOM 975 C LYS A 95 0.729 -11.048 -3.161 1.00 0.00 C ATOM 976 O LYS A 95 0.193 -12.136 -2.991 1.00 0.00 O ATOM 977 CB LYS A 95 1.248 -10.182 -5.461 1.00 0.00 C ATOM 978 CG LYS A 95 1.488 -11.582 -6.047 1.00 0.00 C ATOM 979 CD LYS A 95 0.194 -12.180 -6.627 1.00 0.00 C ATOM 980 CE LYS A 95 0.448 -13.316 -7.625 1.00 0.00 C ATOM 981 NZ LYS A 95 1.158 -12.833 -8.837 1.00 0.00 N ATOM 982 HA LYS A 95 -0.716 -10.553 -4.613 1.00 0.00 H ATOM 983 HB2 LYS A 95 0.869 -9.539 -6.255 1.00 0.00 H ATOM 984 HB3 LYS A 95 2.201 -9.793 -5.103 1.00 0.00 H ATOM 985 HG2 LYS A 95 2.232 -11.512 -6.840 1.00 0.00 H ATOM 986 HG3 LYS A 95 1.859 -12.237 -5.259 1.00 0.00 H ATOM 987 HD2 LYS A 95 -0.407 -12.569 -5.805 1.00 0.00 H ATOM 988 HD3 LYS A 95 -0.356 -11.388 -7.135 1.00 0.00 H ATOM 989 HE2 LYS A 95 -0.508 -13.745 -7.923 1.00 0.00 H ATOM 990 HE3 LYS A 95 1.054 -14.082 -7.142 1.00 0.00 H ATOM 991 HZ1 LYS A 95 0.583 -12.105 -9.307 1.00 0.00 H ATOM 992 HZ2 LYS A 95 2.075 -12.427 -8.561 1.00 0.00 H ATOM 993 HZ3 LYS A 95 1.312 -13.630 -9.488 1.00 0.00 H ATOM 994 H LYS A 95 0.530 -8.003 -4.388 1.00 0.00 H ATOM 995 N GLN A 96 1.777 -10.645 -2.443 1.00 0.00 N ATOM 996 CA GLN A 96 2.312 -11.455 -1.346 1.00 0.00 C ATOM 997 C GLN A 96 1.372 -11.441 -0.137 1.00 0.00 C ATOM 998 O GLN A 96 0.979 -12.492 0.360 1.00 0.00 O ATOM 999 CB GLN A 96 3.711 -10.944 -0.961 1.00 0.00 C ATOM 1000 CG GLN A 96 4.779 -11.320 -2.004 1.00 0.00 C ATOM 1001 CD GLN A 96 5.129 -12.809 -2.026 1.00 0.00 C ATOM 1002 OE1 GLN A 96 4.709 -13.608 -1.213 1.00 0.00 O ATOM 1003 NE2 GLN A 96 5.914 -13.261 -2.978 1.00 0.00 N ATOM 1004 HA GLN A 96 2.392 -12.489 -1.682 1.00 0.00 H ATOM 1005 HB2 GLN A 96 3.675 -9.858 -0.871 1.00 0.00 H ATOM 1006 HB3 GLN A 96 3.991 -11.378 -0.001 1.00 0.00 H ATOM 1007 HG2 GLN A 96 4.409 -11.040 -2.990 1.00 0.00 H ATOM 1008 HG3 GLN A 96 5.686 -10.757 -1.784 1.00 0.00 H ATOM 1009 HE22 GLN A 96 6.294 -12.608 -3.693 1.00 0.00 H ATOM 1010 HE21 GLN A 96 6.156 -14.272 -3.017 1.00 0.00 H ATOM 1011 H GLN A 96 2.226 -9.734 -2.667 1.00 0.00 H ATOM 1012 N HIS A 97 0.904 -10.261 0.278 1.00 0.00 N ATOM 1013 CA HIS A 97 0.178 -10.110 1.540 1.00 0.00 C ATOM 1014 C HIS A 97 -1.276 -10.599 1.463 1.00 0.00 C ATOM 1015 O HIS A 97 -1.769 -11.102 2.469 1.00 0.00 O ATOM 1016 CB HIS A 97 0.295 -8.650 2.002 1.00 0.00 C ATOM 1017 CG HIS A 97 0.273 -8.434 3.501 1.00 0.00 C ATOM 1018 ND1 HIS A 97 1.132 -7.595 4.188 1.00 0.00 N ATOM 1019 CD2 HIS A 97 -0.579 -8.986 4.422 1.00 0.00 C ATOM 1020 CE1 HIS A 97 0.817 -7.652 5.498 1.00 0.00 C ATOM 1021 NE2 HIS A 97 -0.226 -8.489 5.661 1.00 0.00 N ATOM 1022 HA HIS A 97 0.636 -10.757 2.288 1.00 0.00 H ATOM 1023 HB2 HIS A 97 1.234 -8.251 1.619 1.00 0.00 H ATOM 1024 HB3 HIS A 97 -0.537 -8.094 1.571 1.00 0.00 H ATOM 1025 HD2 HIS A 97 -1.387 -9.688 4.215 1.00 0.00 H ATOM 1026 HE1 HIS A 97 1.324 -7.109 6.296 1.00 0.00 H ATOM 1027 H HIS A 97 1.061 -9.421 -0.315 1.00 0.00 H ATOM 1028 N THR A 98 -1.940 -10.546 0.303 1.00 0.00 N ATOM 1029 CA THR A 98 -3.241 -11.223 0.105 1.00 0.00 C ATOM 1030 C THR A 98 -3.108 -12.734 0.271 1.00 0.00 C ATOM 1031 O THR A 98 -3.700 -13.263 1.201 1.00 0.00 O ATOM 1032 CB THR A 98 -3.916 -10.920 -1.240 1.00 0.00 C ATOM 1033 OG1 THR A 98 -3.035 -11.172 -2.306 1.00 0.00 O ATOM 1034 CG2 THR A 98 -4.399 -9.472 -1.309 1.00 0.00 C ATOM 1035 HA THR A 98 -3.886 -10.812 0.881 1.00 0.00 H ATOM 1036 HB THR A 98 -4.781 -11.578 -1.324 1.00 0.00 H ATOM 1037 HG1 THR A 98 -2.234 -10.598 -2.213 1.00 0.00 H ATOM 1038 HG23 THR A 98 -5.082 -9.278 -0.482 1.00 0.00 H ATOM 1039 HG21 THR A 98 -3.543 -8.801 -1.240 1.00 0.00 H ATOM 1040 HG22 THR A 98 -4.916 -9.307 -2.255 1.00 0.00 H ATOM 1041 H THR A 98 -1.528 -10.010 -0.487 1.00 0.00 H ATOM 1042 N VAL A 99 -2.094 -13.355 -0.344 1.00 0.00 N ATOM 1043 CA VAL A 99 -1.769 -14.778 -0.123 1.00 0.00 C ATOM 1044 C VAL A 99 -1.459 -15.078 1.354 1.00 0.00 C ATOM 1045 O VAL A 99 -2.092 -15.962 1.924 1.00 0.00 O ATOM 1046 CB VAL A 99 -0.624 -15.236 -1.051 1.00 0.00 C ATOM 1047 CG1 VAL A 99 -0.211 -16.691 -0.799 1.00 0.00 C ATOM 1048 CG2 VAL A 99 -1.031 -15.137 -2.529 1.00 0.00 C ATOM 1049 HA VAL A 99 -2.656 -15.357 -0.379 1.00 0.00 H ATOM 1050 HB VAL A 99 0.211 -14.571 -0.829 1.00 0.00 H ATOM 1051 HG11 VAL A 99 0.128 -16.798 0.231 1.00 0.00 H ATOM 1052 HG12 VAL A 99 -1.066 -17.345 -0.971 1.00 0.00 H ATOM 1053 HG13 VAL A 99 0.597 -16.961 -1.479 1.00 0.00 H ATOM 1054 HG21 VAL A 99 -1.899 -15.771 -2.709 1.00 0.00 H ATOM 1055 HG22 VAL A 99 -1.279 -14.103 -2.768 1.00 0.00 H ATOM 1056 HG23 VAL A 99 -0.202 -15.467 -3.156 1.00 0.00 H ATOM 1057 H VAL A 99 -1.508 -12.810 -1.008 1.00 0.00 H ATOM 1058 N THR A 100 -0.642 -14.252 2.024 1.00 0.00 N ATOM 1059 CA THR A 100 -0.334 -14.377 3.466 1.00 0.00 C ATOM 1060 C THR A 100 -1.565 -14.293 4.376 1.00 0.00 C ATOM 1061 O THR A 100 -1.557 -14.876 5.458 1.00 0.00 O ATOM 1062 CB THR A 100 0.643 -13.272 3.917 1.00 0.00 C ATOM 1063 OG1 THR A 100 1.800 -13.238 3.119 1.00 0.00 O ATOM 1064 CG2 THR A 100 1.148 -13.406 5.355 1.00 0.00 C ATOM 1065 HA THR A 100 0.104 -15.370 3.569 1.00 0.00 H ATOM 1066 HB THR A 100 0.041 -12.368 3.824 1.00 0.00 H ATOM 1067 HG1 THR A 100 1.546 -13.063 2.178 1.00 0.00 H ATOM 1068 HG23 THR A 100 0.297 -13.439 6.036 1.00 0.00 H ATOM 1069 HG21 THR A 100 1.728 -14.324 5.451 1.00 0.00 H ATOM 1070 HG22 THR A 100 1.777 -12.550 5.599 1.00 0.00 H ATOM 1071 H THR A 100 -0.197 -13.474 1.497 1.00 0.00 H ATOM 1072 N THR A 101 -2.531 -13.428 4.055 1.00 0.00 N ATOM 1073 CA THR A 101 -3.667 -13.147 4.948 1.00 0.00 C ATOM 1074 C THR A 101 -4.859 -14.061 4.658 1.00 0.00 C ATOM 1075 O THR A 101 -5.387 -14.662 5.591 1.00 0.00 O ATOM 1076 CB THR A 101 -4.018 -11.647 4.945 1.00 0.00 C ATOM 1077 OG1 THR A 101 -4.653 -11.290 6.147 1.00 0.00 O ATOM 1078 CG2 THR A 101 -4.868 -11.155 3.779 1.00 0.00 C ATOM 1079 HA THR A 101 -3.366 -13.384 5.969 1.00 0.00 H ATOM 1080 HB THR A 101 -3.052 -11.156 4.831 1.00 0.00 H ATOM 1081 HG1 THR A 101 -4.872 -10.325 6.129 1.00 0.00 H ATOM 1082 HG23 THR A 101 -4.386 -11.426 2.840 1.00 0.00 H ATOM 1083 HG21 THR A 101 -5.854 -11.617 3.829 1.00 0.00 H ATOM 1084 HG22 THR A 101 -4.970 -10.071 3.837 1.00 0.00 H ATOM 1085 H THR A 101 -2.479 -12.935 3.141 1.00 0.00 H ATOM 1086 N THR A 102 -5.084 -14.429 3.394 1.00 0.00 N ATOM 1087 CA THR A 102 -6.073 -15.444 2.998 1.00 0.00 C ATOM 1088 C THR A 102 -5.805 -16.793 3.668 1.00 0.00 C ATOM 1089 O THR A 102 -6.673 -17.315 4.361 1.00 0.00 O ATOM 1090 CB THR A 102 -6.093 -15.595 1.470 1.00 0.00 C ATOM 1091 OG1 THR A 102 -6.423 -14.364 0.869 1.00 0.00 O ATOM 1092 CG2 THR A 102 -7.107 -16.617 0.962 1.00 0.00 C ATOM 1093 HA THR A 102 -7.052 -15.103 3.336 1.00 0.00 H ATOM 1094 HB THR A 102 -5.093 -15.937 1.204 1.00 0.00 H ATOM 1095 HG1 THR A 102 -5.749 -13.684 1.121 1.00 0.00 H ATOM 1096 HG23 THR A 102 -6.891 -17.591 1.402 1.00 0.00 H ATOM 1097 HG21 THR A 102 -8.111 -16.303 1.246 1.00 0.00 H ATOM 1098 HG22 THR A 102 -7.040 -16.685 -0.124 1.00 0.00 H ATOM 1099 H THR A 102 -4.527 -13.971 2.645 1.00 0.00 H ATOM 1100 N THR A 103 -4.543 -17.238 3.716 1.00 0.00 N ATOM 1101 CA THR A 103 -4.163 -18.480 4.420 1.00 0.00 C ATOM 1102 C THR A 103 -4.106 -18.365 5.950 1.00 0.00 C ATOM 1103 O THR A 103 -4.052 -19.391 6.626 1.00 0.00 O ATOM 1104 CB THR A 103 -2.831 -19.035 3.904 1.00 0.00 C ATOM 1105 OG1 THR A 103 -1.797 -18.103 4.103 1.00 0.00 O ATOM 1106 CG2 THR A 103 -2.884 -19.353 2.408 1.00 0.00 C ATOM 1107 HA THR A 103 -4.974 -19.171 4.191 1.00 0.00 H ATOM 1108 HB THR A 103 -2.642 -19.951 4.464 1.00 0.00 H ATOM 1109 HG1 THR A 103 -2.008 -17.268 3.615 1.00 0.00 H ATOM 1110 HG23 THR A 103 -3.678 -20.075 2.219 1.00 0.00 H ATOM 1111 HG21 THR A 103 -3.083 -18.438 1.850 1.00 0.00 H ATOM 1112 HG22 THR A 103 -1.928 -19.771 2.093 1.00 0.00 H ATOM 1113 H THR A 103 -3.801 -16.687 3.239 1.00 0.00 H ATOM 1114 N LYS A 104 -4.248 -17.157 6.516 1.00 0.00 N ATOM 1115 CA LYS A 104 -4.536 -16.927 7.945 1.00 0.00 C ATOM 1116 C LYS A 104 -6.042 -16.984 8.267 1.00 0.00 C ATOM 1117 O LYS A 104 -6.390 -17.145 9.435 1.00 0.00 O ATOM 1118 CB LYS A 104 -3.881 -15.593 8.369 1.00 0.00 C ATOM 1119 CG LYS A 104 -4.234 -15.148 9.795 1.00 0.00 C ATOM 1120 CD LYS A 104 -3.435 -13.921 10.238 1.00 0.00 C ATOM 1121 CE LYS A 104 -4.094 -13.363 11.505 1.00 0.00 C ATOM 1122 NZ LYS A 104 -3.248 -12.341 12.165 1.00 0.00 N ATOM 1123 HA LYS A 104 -4.103 -17.737 8.531 1.00 0.00 H ATOM 1124 HB2 LYS A 104 -2.799 -15.706 8.303 1.00 0.00 H ATOM 1125 HB3 LYS A 104 -4.206 -14.816 7.677 1.00 0.00 H ATOM 1126 HG2 LYS A 104 -5.296 -14.907 9.834 1.00 0.00 H ATOM 1127 HG3 LYS A 104 -4.024 -15.969 10.480 1.00 0.00 H ATOM 1128 HD2 LYS A 104 -2.405 -14.206 10.451 1.00 0.00 H ATOM 1129 HD3 LYS A 104 -3.447 -13.167 9.451 1.00 0.00 H ATOM 1130 HE2 LYS A 104 -4.266 -14.182 12.203 1.00 0.00 H ATOM 1131 HE3 LYS A 104 -5.048 -12.910 11.236 1.00 0.00 H ATOM 1132 HZ1 LYS A 104 -2.337 -12.766 12.432 1.00 0.00 H ATOM 1133 HZ2 LYS A 104 -3.084 -11.552 11.508 1.00 0.00 H ATOM 1134 HZ3 LYS A 104 -3.731 -11.990 13.017 1.00 0.00 H ATOM 1135 H LYS A 104 -4.148 -16.322 5.904 1.00 0.00 H ATOM 1136 N GLY A 105 -6.921 -16.833 7.273 1.00 0.00 N ATOM 1137 CA GLY A 105 -8.381 -16.889 7.432 1.00 0.00 C ATOM 1138 C GLY A 105 -9.160 -15.762 6.745 1.00 0.00 C ATOM 1139 O GLY A 105 -10.328 -15.573 7.071 1.00 0.00 O ATOM 1140 HA3 GLY A 105 -8.605 -16.852 8.498 1.00 0.00 H ATOM 1141 HA2 GLY A 105 -8.728 -17.837 7.022 1.00 0.00 H ATOM 1142 H GLY A 105 -6.546 -16.664 6.318 1.00 0.00 H ATOM 1143 N GLU A 106 -8.493 -14.895 5.978 1.00 0.00 N ATOM 1144 CA GLU A 106 -9.140 -13.764 5.299 1.00 0.00 C ATOM 1145 C GLU A 106 -9.833 -14.138 3.978 1.00 0.00 C ATOM 1146 O GLU A 106 -9.471 -15.116 3.324 1.00 0.00 O ATOM 1147 CB GLU A 106 -8.107 -12.645 5.048 1.00 0.00 C ATOM 1148 CG GLU A 106 -8.313 -11.429 5.948 1.00 0.00 C ATOM 1149 CD GLU A 106 -9.720 -10.865 5.752 1.00 0.00 C ATOM 1150 OE1 GLU A 106 -10.047 -10.588 4.582 1.00 0.00 O ATOM 1151 OE2 GLU A 106 -10.536 -11.129 6.660 1.00 0.00 O ATOM 1152 HA GLU A 106 -9.928 -13.420 5.968 1.00 0.00 H ATOM 1153 HB2 GLU A 106 -7.110 -13.046 5.228 1.00 0.00 H ATOM 1154 HB3 GLU A 106 -8.186 -12.326 4.009 1.00 0.00 H ATOM 1155 HG2 GLU A 106 -8.184 -11.724 6.989 1.00 0.00 H ATOM 1156 HG3 GLU A 106 -7.579 -10.664 5.695 1.00 0.00 H ATOM 1157 H GLU A 106 -7.469 -15.027 5.856 1.00 0.00 H ATOM 1158 N ASN A 107 -10.661 -13.217 3.481 1.00 0.00 N ATOM 1159 CA ASN A 107 -11.171 -13.203 2.114 1.00 0.00 C ATOM 1160 C ASN A 107 -11.469 -11.748 1.719 1.00 0.00 C ATOM 1161 O ASN A 107 -12.581 -11.253 1.919 1.00 0.00 O ATOM 1162 CB ASN A 107 -12.402 -14.122 1.991 1.00 0.00 C ATOM 1163 CG ASN A 107 -12.947 -14.163 0.572 1.00 0.00 C ATOM 1164 OD1 ASN A 107 -12.643 -15.048 -0.208 1.00 0.00 O ATOM 1165 ND2 ASN A 107 -13.672 -13.152 0.158 1.00 0.00 N ATOM 1166 HA ASN A 107 -10.428 -13.597 1.421 1.00 0.00 H ATOM 1167 HB2 ASN A 107 -12.118 -15.132 2.288 1.00 0.00 H ATOM 1168 HB3 ASN A 107 -13.183 -13.755 2.657 1.00 0.00 H ATOM 1169 HD22 ASN A 107 -13.934 -12.394 0.820 1.00 0.00 H ATOM 1170 HD21 ASN A 107 -13.985 -13.108 -0.833 1.00 0.00 H ATOM 1171 H ASN A 107 -10.966 -12.452 4.116 1.00 0.00 H ATOM 1172 N PHE A 108 -10.477 -11.087 1.122 1.00 0.00 N ATOM 1173 CA PHE A 108 -10.634 -9.752 0.549 1.00 0.00 C ATOM 1174 C PHE A 108 -11.776 -9.703 -0.484 1.00 0.00 C ATOM 1175 O PHE A 108 -12.011 -10.655 -1.231 1.00 0.00 O ATOM 1176 CB PHE A 108 -9.292 -9.294 -0.055 1.00 0.00 C ATOM 1177 CG PHE A 108 -8.735 -10.195 -1.148 1.00 0.00 C ATOM 1178 CD1 PHE A 108 -9.096 -9.974 -2.491 1.00 0.00 C ATOM 1179 CD2 PHE A 108 -7.891 -11.277 -0.826 1.00 0.00 C ATOM 1180 CE1 PHE A 108 -8.629 -10.831 -3.503 1.00 0.00 C ATOM 1181 CE2 PHE A 108 -7.432 -12.140 -1.838 1.00 0.00 C ATOM 1182 CZ PHE A 108 -7.802 -11.919 -3.176 1.00 0.00 C ATOM 1183 HA PHE A 108 -10.915 -9.060 1.343 1.00 0.00 H ATOM 1184 HB2 PHE A 108 -9.433 -8.299 -0.477 1.00 0.00 H ATOM 1185 HB3 PHE A 108 -8.558 -9.245 0.750 1.00 0.00 H ATOM 1186 HD2 PHE A 108 -7.593 -11.445 0.209 1.00 0.00 H ATOM 1187 HE2 PHE A 108 -6.788 -12.982 -1.584 1.00 0.00 H ATOM 1188 HZ PHE A 108 -7.448 -12.590 -3.958 1.00 0.00 H ATOM 1189 HE1 PHE A 108 -8.908 -10.651 -4.541 1.00 0.00 H ATOM 1190 HD1 PHE A 108 -9.741 -9.134 -2.747 1.00 0.00 H ATOM 1191 H PHE A 108 -9.545 -11.544 1.061 1.00 0.00 H ATOM 1192 N THR A 109 -12.367 -8.523 -0.638 1.00 0.00 N ATOM 1193 CA THR A 109 -13.368 -8.197 -1.663 1.00 0.00 C ATOM 1194 C THR A 109 -12.888 -7.011 -2.499 1.00 0.00 C ATOM 1195 O THR A 109 -11.910 -6.365 -2.133 1.00 0.00 O ATOM 1196 CB THR A 109 -14.725 -7.874 -1.012 1.00 0.00 C ATOM 1197 OG1 THR A 109 -14.681 -6.650 -0.315 1.00 0.00 O ATOM 1198 CG2 THR A 109 -15.204 -8.947 -0.034 1.00 0.00 C ATOM 1199 HA THR A 109 -13.497 -9.063 -2.313 1.00 0.00 H ATOM 1200 HB THR A 109 -15.427 -7.824 -1.845 1.00 0.00 H ATOM 1201 HG1 THR A 109 -13.994 -6.701 0.396 1.00 0.00 H ATOM 1202 HG23 THR A 109 -15.249 -9.909 -0.545 1.00 0.00 H ATOM 1203 HG21 THR A 109 -14.508 -9.011 0.803 1.00 0.00 H ATOM 1204 HG22 THR A 109 -16.195 -8.684 0.335 1.00 0.00 H ATOM 1205 H THR A 109 -12.098 -7.766 0.023 1.00 0.00 H ATOM 1206 N GLU A 110 -13.619 -6.622 -3.548 1.00 0.00 N ATOM 1207 CA GLU A 110 -13.365 -5.355 -4.258 1.00 0.00 C ATOM 1208 C GLU A 110 -13.394 -4.130 -3.325 1.00 0.00 C ATOM 1209 O GLU A 110 -12.617 -3.198 -3.518 1.00 0.00 O ATOM 1210 CB GLU A 110 -14.389 -5.161 -5.387 1.00 0.00 C ATOM 1211 CG GLU A 110 -14.227 -6.173 -6.534 1.00 0.00 C ATOM 1212 CD GLU A 110 -12.869 -6.030 -7.235 1.00 0.00 C ATOM 1213 OE1 GLU A 110 -12.479 -4.898 -7.522 1.00 0.00 O ATOM 1214 OE2 GLU A 110 -12.193 -7.098 -7.375 1.00 0.00 O ATOM 1215 HA GLU A 110 -12.359 -5.428 -4.672 1.00 0.00 H ATOM 1216 HB2 GLU A 110 -15.390 -5.268 -4.969 1.00 0.00 H ATOM 1217 HB3 GLU A 110 -14.272 -4.156 -5.792 1.00 0.00 H ATOM 1218 HG2 GLU A 110 -14.311 -7.182 -6.129 1.00 0.00 H ATOM 1219 HG3 GLU A 110 -15.020 -6.009 -7.264 1.00 0.00 H ATOM 1220 H GLU A 110 -14.394 -7.234 -3.875 1.00 0.00 H ATOM 1221 N THR A 111 -14.181 -4.168 -2.243 1.00 0.00 N ATOM 1222 CA THR A 111 -14.179 -3.128 -1.204 1.00 0.00 C ATOM 1223 C THR A 111 -12.843 -3.090 -0.464 1.00 0.00 C ATOM 1224 O THR A 111 -12.195 -2.047 -0.437 1.00 0.00 O ATOM 1225 CB THR A 111 -15.308 -3.349 -0.183 1.00 0.00 C ATOM 1226 OG1 THR A 111 -16.520 -3.680 -0.824 1.00 0.00 O ATOM 1227 CG2 THR A 111 -15.589 -2.092 0.637 1.00 0.00 C ATOM 1228 HA THR A 111 -14.339 -2.177 -1.712 1.00 0.00 H ATOM 1229 HB THR A 111 -14.966 -4.160 0.460 1.00 0.00 H ATOM 1230 HG1 THR A 111 -17.226 -3.816 -0.143 1.00 0.00 H ATOM 1231 HG23 THR A 111 -14.681 -1.789 1.158 1.00 0.00 H ATOM 1232 HG21 THR A 111 -15.913 -1.291 -0.028 1.00 0.00 H ATOM 1233 HG22 THR A 111 -16.373 -2.302 1.364 1.00 0.00 H ATOM 1234 H THR A 111 -14.827 -4.975 -2.132 1.00 0.00 H ATOM 1235 N ASP A 112 -12.362 -4.239 0.025 1.00 0.00 N ATOM 1236 CA ASP A 112 -11.063 -4.364 0.701 1.00 0.00 C ATOM 1237 C ASP A 112 -9.899 -4.012 -0.228 1.00 0.00 C ATOM 1238 O ASP A 112 -9.048 -3.209 0.145 1.00 0.00 O ATOM 1239 CB ASP A 112 -10.864 -5.781 1.252 1.00 0.00 C ATOM 1240 CG ASP A 112 -12.005 -6.184 2.178 1.00 0.00 C ATOM 1241 OD1 ASP A 112 -12.065 -5.616 3.286 1.00 0.00 O ATOM 1242 OD2 ASP A 112 -12.959 -6.779 1.618 1.00 0.00 O ATOM 1243 HA ASP A 112 -11.071 -3.653 1.527 1.00 0.00 H ATOM 1244 HB2 ASP A 112 -10.819 -6.482 0.419 1.00 0.00 H ATOM 1245 HB3 ASP A 112 -9.927 -5.817 1.807 1.00 0.00 H ATOM 1246 H ASP A 112 -12.943 -5.095 -0.080 1.00 0.00 H ATOM 1247 N ILE A 113 -9.940 -4.470 -1.484 1.00 0.00 N ATOM 1248 CA ILE A 113 -8.986 -4.098 -2.534 1.00 0.00 C ATOM 1249 C ILE A 113 -8.956 -2.584 -2.723 1.00 0.00 C ATOM 1250 O ILE A 113 -7.871 -2.018 -2.697 1.00 0.00 O ATOM 1251 CB ILE A 113 -9.296 -4.814 -3.869 1.00 0.00 C ATOM 1252 CG1 ILE A 113 -9.044 -6.335 -3.758 1.00 0.00 C ATOM 1253 CG2 ILE A 113 -8.423 -4.248 -5.010 1.00 0.00 C ATOM 1254 CD1 ILE A 113 -9.802 -7.142 -4.823 1.00 0.00 C ATOM 1255 HA ILE A 113 -7.998 -4.425 -2.211 1.00 0.00 H ATOM 1256 HB ILE A 113 -10.349 -4.639 -4.091 1.00 0.00 H ATOM 1257 HG12 ILE A 113 -7.976 -6.521 -3.874 1.00 0.00 H ATOM 1258 HG13 ILE A 113 -9.365 -6.671 -2.772 1.00 0.00 H ATOM 1259 HD11 ILE A 113 -10.873 -6.972 -4.712 1.00 0.00 H ATOM 1260 HD12 ILE A 113 -9.483 -6.822 -5.815 1.00 0.00 H ATOM 1261 HD13 ILE A 113 -9.586 -8.203 -4.695 1.00 0.00 H ATOM 1262 HG21 ILE A 113 -8.625 -3.183 -5.126 1.00 0.00 H ATOM 1263 HG22 ILE A 113 -7.371 -4.395 -4.768 1.00 0.00 H ATOM 1264 HG23 ILE A 113 -8.659 -4.768 -5.939 1.00 0.00 H ATOM 1265 H ILE A 113 -10.700 -5.135 -1.733 1.00 0.00 H ATOM 1266 N LYS A 114 -10.104 -1.903 -2.767 1.00 0.00 N ATOM 1267 CA LYS A 114 -10.157 -0.440 -2.905 1.00 0.00 C ATOM 1268 C LYS A 114 -9.596 0.305 -1.693 1.00 0.00 C ATOM 1269 O LYS A 114 -8.790 1.213 -1.903 1.00 0.00 O ATOM 1270 CB LYS A 114 -11.591 -0.011 -3.243 1.00 0.00 C ATOM 1271 CG LYS A 114 -11.881 -0.339 -4.714 1.00 0.00 C ATOM 1272 CD LYS A 114 -13.383 -0.310 -5.018 1.00 0.00 C ATOM 1273 CE LYS A 114 -13.607 -0.493 -6.521 1.00 0.00 C ATOM 1274 NZ LYS A 114 -13.160 0.712 -7.259 1.00 0.00 N ATOM 1275 HA LYS A 114 -9.500 -0.158 -3.728 1.00 0.00 H ATOM 1276 HB2 LYS A 114 -12.293 -0.547 -2.604 1.00 0.00 H ATOM 1277 HB3 LYS A 114 -11.699 1.061 -3.080 1.00 0.00 H ATOM 1278 HG2 LYS A 114 -11.379 0.394 -5.345 1.00 0.00 H ATOM 1279 HG3 LYS A 114 -11.495 -1.334 -4.937 1.00 0.00 H ATOM 1280 HD2 LYS A 114 -13.879 -1.116 -4.476 1.00 0.00 H ATOM 1281 HD3 LYS A 114 -13.799 0.647 -4.703 1.00 0.00 H ATOM 1282 HE2 LYS A 114 -14.668 -0.657 -6.709 1.00 0.00 H ATOM 1283 HE3 LYS A 114 -13.040 -1.357 -6.867 1.00 0.00 H ATOM 1284 HZ1 LYS A 114 -13.702 1.538 -6.933 1.00 0.00 H ATOM 1285 HZ2 LYS A 114 -12.147 0.869 -7.083 1.00 0.00 H ATOM 1286 HZ3 LYS A 114 -13.319 0.572 -8.277 1.00 0.00 H ATOM 1287 H LYS A 114 -10.998 -2.430 -2.701 1.00 0.00 H ATOM 1288 N ILE A 115 -9.794 -0.185 -0.459 1.00 0.00 N ATOM 1289 CA ILE A 115 -9.084 0.379 0.711 1.00 0.00 C ATOM 1290 C ILE A 115 -7.571 0.145 0.589 1.00 0.00 C ATOM 1291 O ILE A 115 -6.774 1.046 0.853 1.00 0.00 O ATOM 1292 CB ILE A 115 -9.640 -0.033 2.114 1.00 0.00 C ATOM 1293 CG1 ILE A 115 -8.763 -1.060 2.880 1.00 0.00 C ATOM 1294 CG2 ILE A 115 -11.099 -0.507 2.060 1.00 0.00 C ATOM 1295 CD1 ILE A 115 -9.128 -1.340 4.338 1.00 0.00 C ATOM 1296 HA ILE A 115 -9.286 1.450 0.675 1.00 0.00 H ATOM 1297 HB ILE A 115 -9.600 0.893 2.688 1.00 0.00 H ATOM 1298 HG12 ILE A 115 -8.818 -2.006 2.340 1.00 0.00 H ATOM 1299 HG13 ILE A 115 -7.737 -0.693 2.863 1.00 0.00 H ATOM 1300 HD11 ILE A 115 -9.063 -0.415 4.912 1.00 0.00 H ATOM 1301 HD12 ILE A 115 -10.145 -1.729 4.388 1.00 0.00 H ATOM 1302 HD13 ILE A 115 -8.436 -2.074 4.750 1.00 0.00 H ATOM 1303 HG21 ILE A 115 -11.727 0.297 1.675 1.00 0.00 H ATOM 1304 HG22 ILE A 115 -11.174 -1.374 1.404 1.00 0.00 H ATOM 1305 HG23 ILE A 115 -11.429 -0.779 3.063 1.00 0.00 H ATOM 1306 H ILE A 115 -10.457 -0.974 -0.323 1.00 0.00 H ATOM 1307 N MET A 116 -7.177 -1.082 0.236 1.00 0.00 N ATOM 1308 CA MET A 116 -5.785 -1.515 0.152 1.00 0.00 C ATOM 1309 C MET A 116 -5.041 -0.699 -0.891 1.00 0.00 C ATOM 1310 O MET A 116 -4.123 0.027 -0.539 1.00 0.00 O ATOM 1311 CB MET A 116 -5.710 -3.000 -0.224 1.00 0.00 C ATOM 1312 CG MET A 116 -6.155 -3.928 0.904 1.00 0.00 C ATOM 1313 SD MET A 116 -6.551 -5.644 0.436 1.00 0.00 S ATOM 1314 CE MET A 116 -5.457 -5.934 -0.977 1.00 0.00 C ATOM 1315 HA MET A 116 -5.322 -1.365 1.128 1.00 0.00 H ATOM 1316 HB2 MET A 116 -6.352 -3.172 -1.088 1.00 0.00 H ATOM 1317 HB3 MET A 116 -4.679 -3.240 -0.485 1.00 0.00 H ATOM 1318 HG2 MET A 116 -7.046 -3.494 1.358 1.00 0.00 H ATOM 1319 HG3 MET A 116 -5.353 -3.962 1.641 1.00 0.00 H ATOM 1320 HE1 MET A 116 -5.687 -5.218 -1.766 1.00 0.00 H ATOM 1321 HE2 MET A 116 -4.420 -5.811 -0.664 1.00 0.00 H ATOM 1322 HE3 MET A 116 -5.607 -6.947 -1.349 1.00 0.00 H ATOM 1323 H MET A 116 -7.914 -1.778 0.005 1.00 0.00 H ATOM 1324 N GLU A 117 -5.521 -0.731 -2.128 1.00 0.00 N ATOM 1325 CA GLU A 117 -5.005 -0.019 -3.287 1.00 0.00 C ATOM 1326 C GLU A 117 -4.852 1.475 -3.014 1.00 0.00 C ATOM 1327 O GLU A 117 -3.726 1.952 -3.102 1.00 0.00 O ATOM 1328 CB GLU A 117 -5.919 -0.319 -4.485 1.00 0.00 C ATOM 1329 CG GLU A 117 -5.415 0.282 -5.800 1.00 0.00 C ATOM 1330 CD GLU A 117 -6.237 -0.252 -6.980 1.00 0.00 C ATOM 1331 OE1 GLU A 117 -7.372 0.241 -7.169 1.00 0.00 O ATOM 1332 OE2 GLU A 117 -5.747 -1.212 -7.625 1.00 0.00 O ATOM 1333 HA GLU A 117 -3.999 -0.367 -3.519 1.00 0.00 H ATOM 1334 HB2 GLU A 117 -5.990 -1.400 -4.604 1.00 0.00 H ATOM 1335 HB3 GLU A 117 -6.908 0.088 -4.276 1.00 0.00 H ATOM 1336 HG2 GLU A 117 -5.508 1.367 -5.759 1.00 0.00 H ATOM 1337 HG3 GLU A 117 -4.368 0.014 -5.940 1.00 0.00 H ATOM 1338 H GLU A 117 -6.356 -1.330 -2.286 1.00 0.00 H ATOM 1339 N ARG A 118 -5.837 2.132 -2.375 1.00 0.00 N ATOM 1340 CA ARG A 118 -5.716 3.554 -2.004 1.00 0.00 C ATOM 1341 C ARG A 118 -4.553 3.837 -1.059 1.00 0.00 C ATOM 1342 O ARG A 118 -3.828 4.815 -1.237 1.00 0.00 O ATOM 1343 CB ARG A 118 -7.016 4.068 -1.356 1.00 0.00 C ATOM 1344 CG ARG A 118 -7.312 5.501 -1.799 1.00 0.00 C ATOM 1345 CD ARG A 118 -7.991 5.435 -3.170 1.00 0.00 C ATOM 1346 NE ARG A 118 -7.760 6.653 -3.957 1.00 0.00 N ATOM 1347 CZ ARG A 118 -8.384 6.955 -5.078 1.00 0.00 C ATOM 1348 NH1 ARG A 118 -9.409 6.268 -5.501 1.00 0.00 N ATOM 1349 NH2 ARG A 118 -7.976 7.957 -5.801 1.00 0.00 N ATOM 1350 HA ARG A 118 -5.523 4.081 -2.938 1.00 0.00 H ATOM 1351 HB2 ARG A 118 -7.843 3.423 -1.653 1.00 0.00 H ATOM 1352 HB3 ARG A 118 -6.909 4.043 -0.272 1.00 0.00 H ATOM 1353 HG2 ARG A 118 -7.974 5.983 -1.080 1.00 0.00 H ATOM 1354 HG3 ARG A 118 -6.383 6.067 -1.872 1.00 0.00 H ATOM 1355 HD2 ARG A 118 -9.064 5.307 -3.026 1.00 0.00 H ATOM 1356 HD3 ARG A 118 -7.595 4.581 -3.719 1.00 0.00 H ATOM 1357 HE ARG A 118 -7.051 7.327 -3.604 1.00 0.00 H ATOM 1358 HH12 ARG A 118 -9.880 6.531 -6.390 1.00 0.00 H ATOM 1359 HH11 ARG A 118 -9.755 5.457 -4.949 1.00 0.00 H ATOM 1360 HH22 ARG A 118 -8.469 8.195 -6.685 1.00 0.00 H ATOM 1361 HH21 ARG A 118 -7.157 8.520 -5.494 1.00 0.00 H ATOM 1362 H ARG A 118 -6.711 1.621 -2.135 1.00 0.00 H ATOM 1363 N VAL A 119 -4.517 3.124 0.065 1.00 0.00 N ATOM 1364 CA VAL A 119 -3.613 3.462 1.172 1.00 0.00 C ATOM 1365 C VAL A 119 -2.211 2.942 0.895 1.00 0.00 C ATOM 1366 O VAL A 119 -1.234 3.623 1.200 1.00 0.00 O ATOM 1367 CB VAL A 119 -4.108 2.891 2.504 1.00 0.00 C ATOM 1368 CG1 VAL A 119 -3.223 3.413 3.642 1.00 0.00 C ATOM 1369 CG2 VAL A 119 -5.543 3.317 2.827 1.00 0.00 C ATOM 1370 HA VAL A 119 -3.594 4.549 1.248 1.00 0.00 H ATOM 1371 HB VAL A 119 -4.068 1.806 2.413 1.00 0.00 H ATOM 1372 HG11 VAL A 119 -2.193 3.101 3.472 1.00 0.00 H ATOM 1373 HG12 VAL A 119 -3.274 4.501 3.670 1.00 0.00 H ATOM 1374 HG13 VAL A 119 -3.575 3.007 4.590 1.00 0.00 H ATOM 1375 HG21 VAL A 119 -5.593 4.404 2.888 1.00 0.00 H ATOM 1376 HG22 VAL A 119 -6.211 2.965 2.041 1.00 0.00 H ATOM 1377 HG23 VAL A 119 -5.843 2.884 3.781 1.00 0.00 H ATOM 1378 H VAL A 119 -5.148 2.303 0.162 1.00 0.00 H ATOM 1379 N VAL A 120 -2.116 1.776 0.260 1.00 0.00 N ATOM 1380 CA VAL A 120 -0.877 1.247 -0.295 1.00 0.00 C ATOM 1381 C VAL A 120 -0.344 2.196 -1.365 1.00 0.00 C ATOM 1382 O VAL A 120 0.706 2.751 -1.108 1.00 0.00 O ATOM 1383 CB VAL A 120 -1.061 -0.194 -0.799 1.00 0.00 C ATOM 1384 CG1 VAL A 120 0.154 -0.706 -1.563 1.00 0.00 C ATOM 1385 CG2 VAL A 120 -1.302 -1.158 0.378 1.00 0.00 C ATOM 1386 HA VAL A 120 -0.124 1.189 0.491 1.00 0.00 H ATOM 1387 HB VAL A 120 -1.922 -0.166 -1.467 1.00 0.00 H ATOM 1388 HG11 VAL A 120 0.333 -0.068 -2.428 1.00 0.00 H ATOM 1389 HG12 VAL A 120 1.027 -0.688 -0.910 1.00 0.00 H ATOM 1390 HG13 VAL A 120 -0.031 -1.727 -1.895 1.00 0.00 H ATOM 1391 HG21 VAL A 120 -0.446 -1.127 1.052 1.00 0.00 H ATOM 1392 HG22 VAL A 120 -2.201 -0.855 0.916 1.00 0.00 H ATOM 1393 HG23 VAL A 120 -1.429 -2.171 -0.004 1.00 0.00 H ATOM 1394 H VAL A 120 -2.980 1.207 0.153 1.00 0.00 H ATOM 1395 N GLU A 121 -1.110 2.618 -2.378 1.00 0.00 N ATOM 1396 CA GLU A 121 -0.666 3.595 -3.396 1.00 0.00 C ATOM 1397 C GLU A 121 -0.184 4.930 -2.803 1.00 0.00 C ATOM 1398 O GLU A 121 0.915 5.394 -3.132 1.00 0.00 O ATOM 1399 CB GLU A 121 -1.793 3.841 -4.417 1.00 0.00 C ATOM 1400 CG GLU A 121 -1.435 4.911 -5.455 1.00 0.00 C ATOM 1401 CD GLU A 121 -2.463 4.972 -6.587 1.00 0.00 C ATOM 1402 OE1 GLU A 121 -2.236 4.256 -7.589 1.00 0.00 O ATOM 1403 OE2 GLU A 121 -3.370 5.833 -6.496 1.00 0.00 O ATOM 1404 HA GLU A 121 0.199 3.153 -3.891 1.00 0.00 H ATOM 1405 HB2 GLU A 121 -2.001 2.906 -4.938 1.00 0.00 H ATOM 1406 HB3 GLU A 121 -2.685 4.162 -3.880 1.00 0.00 H ATOM 1407 HG2 GLU A 121 -1.395 5.882 -4.962 1.00 0.00 H ATOM 1408 HG3 GLU A 121 -0.457 4.679 -5.878 1.00 0.00 H ATOM 1409 H GLU A 121 -2.074 2.236 -2.454 1.00 0.00 H ATOM 1410 N GLN A 122 -0.916 5.472 -1.823 1.00 0.00 N ATOM 1411 CA GLN A 122 -0.494 6.646 -1.056 1.00 0.00 C ATOM 1412 C GLN A 122 0.848 6.408 -0.348 1.00 0.00 C ATOM 1413 O GLN A 122 1.754 7.239 -0.444 1.00 0.00 O ATOM 1414 CB GLN A 122 -1.606 7.012 -0.056 1.00 0.00 C ATOM 1415 CG GLN A 122 -1.243 8.147 0.919 1.00 0.00 C ATOM 1416 CD GLN A 122 -0.924 9.464 0.217 1.00 0.00 C ATOM 1417 OE1 GLN A 122 -1.730 10.004 -0.517 1.00 0.00 O ATOM 1418 NE2 GLN A 122 0.217 10.071 0.459 1.00 0.00 N ATOM 1419 HA GLN A 122 -0.335 7.481 -1.738 1.00 0.00 H ATOM 1420 HB2 GLN A 122 -2.486 7.318 -0.622 1.00 0.00 H ATOM 1421 HB3 GLN A 122 -1.843 6.124 0.529 1.00 0.00 H ATOM 1422 HG2 GLN A 122 -2.085 8.308 1.592 1.00 0.00 H ATOM 1423 HG3 GLN A 122 -0.371 7.842 1.497 1.00 0.00 H ATOM 1424 HE22 GLN A 122 0.920 9.627 1.084 1.00 0.00 H ATOM 1425 HE21 GLN A 122 0.416 10.995 0.026 1.00 0.00 H ATOM 1426 H GLN A 122 -1.832 5.037 -1.594 1.00 0.00 H ATOM 1427 N MET A 123 1.000 5.279 0.348 1.00 0.00 N ATOM 1428 CA MET A 123 2.245 4.886 1.014 1.00 0.00 C ATOM 1429 C MET A 123 3.382 4.614 0.027 1.00 0.00 C ATOM 1430 O MET A 123 4.465 5.136 0.235 1.00 0.00 O ATOM 1431 CB MET A 123 2.009 3.652 1.895 1.00 0.00 C ATOM 1432 CG MET A 123 1.232 3.992 3.165 1.00 0.00 C ATOM 1433 SD MET A 123 2.221 4.816 4.446 1.00 0.00 S ATOM 1434 CE MET A 123 1.137 6.216 4.808 1.00 0.00 C ATOM 1435 HA MET A 123 2.552 5.728 1.634 1.00 0.00 H ATOM 1436 HB2 MET A 123 1.444 2.915 1.324 1.00 0.00 H ATOM 1437 HB3 MET A 123 2.974 3.230 2.176 1.00 0.00 H ATOM 1438 HG2 MET A 123 0.836 3.066 3.582 1.00 0.00 H ATOM 1439 HG3 MET A 123 0.406 4.650 2.895 1.00 0.00 H ATOM 1440 HE1 MET A 123 0.995 6.808 3.904 1.00 0.00 H ATOM 1441 HE2 MET A 123 0.173 5.847 5.157 1.00 0.00 H ATOM 1442 HE3 MET A 123 1.592 6.835 5.581 1.00 0.00 H ATOM 1443 H MET A 123 0.184 4.638 0.422 1.00 0.00 H ATOM 1444 N CYS A 124 3.134 3.959 -1.106 1.00 0.00 N ATOM 1445 CA CYS A 124 4.104 3.713 -2.171 1.00 0.00 C ATOM 1446 C CYS A 124 4.660 5.031 -2.730 1.00 0.00 C ATOM 1447 O CYS A 124 5.872 5.223 -2.761 1.00 0.00 O ATOM 1448 CB CYS A 124 3.415 2.928 -3.297 1.00 0.00 C ATOM 1449 SG CYS A 124 2.737 1.336 -2.753 1.00 0.00 S ATOM 1450 HA CYS A 124 4.937 3.141 -1.762 1.00 0.00 H ATOM 1451 HB2 CYS A 124 4.144 2.742 -4.086 1.00 0.00 H ATOM 1452 HB3 CYS A 124 2.600 3.534 -3.693 1.00 0.00 H ATOM 1453 HG CYS A 124 1.800 1.551 -1.763 1.00 0.00 H ATOM 1454 H CYS A 124 2.171 3.592 -1.244 1.00 0.00 H ATOM 1455 N THR A 125 3.775 5.985 -3.037 1.00 0.00 N ATOM 1456 CA THR A 125 4.135 7.334 -3.505 1.00 0.00 C ATOM 1457 C THR A 125 4.856 8.152 -2.424 1.00 0.00 C ATOM 1458 O THR A 125 5.848 8.817 -2.705 1.00 0.00 O ATOM 1459 CB THR A 125 2.871 8.077 -3.974 1.00 0.00 C ATOM 1460 OG1 THR A 125 2.243 7.356 -5.009 1.00 0.00 O ATOM 1461 CG2 THR A 125 3.172 9.459 -4.544 1.00 0.00 C ATOM 1462 HA THR A 125 4.828 7.219 -4.339 1.00 0.00 H ATOM 1463 HB THR A 125 2.241 8.174 -3.090 1.00 0.00 H ATOM 1464 HG1 THR A 125 1.989 6.458 -4.677 1.00 0.00 H ATOM 1465 HG23 THR A 125 3.662 10.066 -3.783 1.00 0.00 H ATOM 1466 HG21 THR A 125 3.828 9.359 -5.408 1.00 0.00 H ATOM 1467 HG22 THR A 125 2.240 9.936 -4.847 1.00 0.00 H ATOM 1468 H THR A 125 2.765 5.759 -2.939 1.00 0.00 H ATOM 1469 N THR A 126 4.461 8.007 -1.156 1.00 0.00 N ATOM 1470 CA THR A 126 5.115 8.687 -0.018 1.00 0.00 C ATOM 1471 C THR A 126 6.498 8.103 0.298 1.00 0.00 C ATOM 1472 O THR A 126 7.422 8.833 0.649 1.00 0.00 O ATOM 1473 CB THR A 126 4.233 8.592 1.237 1.00 0.00 C ATOM 1474 OG1 THR A 126 2.960 9.144 0.988 1.00 0.00 O ATOM 1475 CG2 THR A 126 4.810 9.331 2.442 1.00 0.00 C ATOM 1476 HA THR A 126 5.248 9.729 -0.310 1.00 0.00 H ATOM 1477 HB THR A 126 4.178 7.528 1.468 1.00 0.00 H ATOM 1478 HG1 THR A 126 2.525 8.648 0.250 1.00 0.00 H ATOM 1479 HG23 THR A 126 5.799 8.934 2.671 1.00 0.00 H ATOM 1480 HG21 THR A 126 4.888 10.394 2.212 1.00 0.00 H ATOM 1481 HG22 THR A 126 4.154 9.191 3.301 1.00 0.00 H ATOM 1482 H THR A 126 3.652 7.384 -0.959 1.00 0.00 H ATOM 1483 N GLN A 127 6.661 6.783 0.181 1.00 0.00 N ATOM 1484 CA GLN A 127 7.959 6.119 0.277 1.00 0.00 C ATOM 1485 C GLN A 127 8.853 6.517 -0.899 1.00 0.00 C ATOM 1486 O GLN A 127 9.933 7.024 -0.631 1.00 0.00 O ATOM 1487 CB GLN A 127 7.788 4.593 0.371 1.00 0.00 C ATOM 1488 CG GLN A 127 7.125 4.122 1.679 1.00 0.00 C ATOM 1489 CD GLN A 127 8.000 4.277 2.915 1.00 0.00 C ATOM 1490 OE1 GLN A 127 8.532 3.322 3.443 1.00 0.00 O ATOM 1491 NE2 GLN A 127 7.918 5.384 3.618 1.00 0.00 N ATOM 1492 HA GLN A 127 8.451 6.447 1.193 1.00 0.00 H ATOM 1493 HB2 GLN A 127 7.171 4.264 -0.465 1.00 0.00 H ATOM 1494 HB3 GLN A 127 8.773 4.131 0.299 1.00 0.00 H ATOM 1495 HG2 GLN A 127 6.215 4.703 1.829 1.00 0.00 H ATOM 1496 HG3 GLN A 127 6.868 3.068 1.572 1.00 0.00 H ATOM 1497 HE22 GLN A 127 7.471 6.229 3.208 1.00 0.00 H ATOM 1498 HE21 GLN A 127 8.300 5.416 4.585 1.00 0.00 H ATOM 1499 H GLN A 127 5.819 6.196 0.013 1.00 0.00 H ATOM 1500 N TYR A 128 8.307 6.623 -2.121 1.00 0.00 N ATOM 1501 CA TYR A 128 9.023 7.214 -3.258 1.00 0.00 C ATOM 1502 C TYR A 128 9.533 8.625 -2.950 1.00 0.00 C ATOM 1503 O TYR A 128 10.715 8.869 -3.129 1.00 0.00 O ATOM 1504 CB TYR A 128 8.172 7.227 -4.539 1.00 0.00 C ATOM 1505 CG TYR A 128 9.005 7.440 -5.793 1.00 0.00 C ATOM 1506 CD1 TYR A 128 9.454 8.724 -6.167 1.00 0.00 C ATOM 1507 CD2 TYR A 128 9.422 6.322 -6.533 1.00 0.00 C ATOM 1508 CE1 TYR A 128 10.349 8.870 -7.246 1.00 0.00 C ATOM 1509 CE2 TYR A 128 10.321 6.457 -7.603 1.00 0.00 C ATOM 1510 CZ TYR A 128 10.806 7.735 -7.945 1.00 0.00 C ATOM 1511 OH TYR A 128 11.747 7.864 -8.912 1.00 0.00 O ATOM 1512 HA TYR A 128 9.886 6.572 -3.432 1.00 0.00 H ATOM 1513 HB3 TYR A 128 7.441 8.032 -4.464 1.00 0.00 H ATOM 1514 HB2 TYR A 128 7.652 6.273 -4.623 1.00 0.00 H ATOM 1515 HD2 TYR A 128 9.042 5.334 -6.273 1.00 0.00 H ATOM 1516 HE2 TYR A 128 10.641 5.580 -8.165 1.00 0.00 H ATOM 1517 HE1 TYR A 128 10.688 9.863 -7.540 1.00 0.00 H ATOM 1518 HD1 TYR A 128 9.109 9.603 -5.622 1.00 0.00 H ATOM 1519 HH TYR A 128 11.973 8.821 -9.025 1.00 0.00 H ATOM 1520 H TYR A 128 7.339 6.273 -2.268 1.00 0.00 H ATOM 1521 N GLN A 129 8.724 9.502 -2.343 1.00 0.00 N ATOM 1522 CA GLN A 129 9.167 10.850 -1.965 1.00 0.00 C ATOM 1523 C GLN A 129 10.383 10.839 -1.021 1.00 0.00 C ATOM 1524 O GLN A 129 11.364 11.533 -1.283 1.00 0.00 O ATOM 1525 CB GLN A 129 7.990 11.616 -1.339 1.00 0.00 C ATOM 1526 CG GLN A 129 8.314 13.102 -1.116 1.00 0.00 C ATOM 1527 CD GLN A 129 7.179 13.873 -0.446 1.00 0.00 C ATOM 1528 OE1 GLN A 129 6.116 13.364 -0.129 1.00 0.00 O ATOM 1529 NE2 GLN A 129 7.379 15.140 -0.158 1.00 0.00 N ATOM 1530 HA GLN A 129 9.497 11.357 -2.872 1.00 0.00 H ATOM 1531 HB2 GLN A 129 7.129 11.540 -2.003 1.00 0.00 H ATOM 1532 HB3 GLN A 129 7.747 11.162 -0.378 1.00 0.00 H ATOM 1533 HG2 GLN A 129 9.200 13.172 -0.485 1.00 0.00 H ATOM 1534 HG3 GLN A 129 8.521 13.560 -2.083 1.00 0.00 H ATOM 1535 HE22 GLN A 129 8.276 15.597 -0.418 1.00 0.00 H ATOM 1536 HE21 GLN A 129 6.640 15.685 0.329 1.00 0.00 H ATOM 1537 H GLN A 129 7.746 9.218 -2.131 1.00 0.00 H ATOM 1538 N LYS A 130 10.340 10.039 0.053 1.00 0.00 N ATOM 1539 CA LYS A 130 11.432 9.946 1.036 1.00 0.00 C ATOM 1540 C LYS A 130 12.681 9.272 0.462 1.00 0.00 C ATOM 1541 O LYS A 130 13.777 9.803 0.605 1.00 0.00 O ATOM 1542 CB LYS A 130 10.921 9.206 2.282 1.00 0.00 C ATOM 1543 CG LYS A 130 11.994 9.151 3.379 1.00 0.00 C ATOM 1544 CD LYS A 130 11.483 8.427 4.625 1.00 0.00 C ATOM 1545 CE LYS A 130 12.641 8.327 5.623 1.00 0.00 C ATOM 1546 NZ LYS A 130 12.246 7.590 6.844 1.00 0.00 N ATOM 1547 HA LYS A 130 11.736 10.957 1.309 1.00 0.00 H ATOM 1548 HB2 LYS A 130 10.044 9.725 2.669 1.00 0.00 H ATOM 1549 HB3 LYS A 130 10.646 8.189 2.003 1.00 0.00 H ATOM 1550 HG2 LYS A 130 12.867 8.623 2.995 1.00 0.00 H ATOM 1551 HG3 LYS A 130 12.276 10.168 3.651 1.00 0.00 H ATOM 1552 HD2 LYS A 130 10.660 8.988 5.068 1.00 0.00 H ATOM 1553 HD3 LYS A 130 11.138 7.428 4.357 1.00 0.00 H ATOM 1554 HE2 LYS A 130 12.955 9.333 5.903 1.00 0.00 H ATOM 1555 HE3 LYS A 130 13.473 7.806 5.149 1.00 0.00 H ATOM 1556 HZ1 LYS A 130 11.456 8.084 7.306 1.00 0.00 H ATOM 1557 HZ2 LYS A 130 11.950 6.627 6.586 1.00 0.00 H ATOM 1558 HZ3 LYS A 130 13.055 7.543 7.496 1.00 0.00 H ATOM 1559 H LYS A 130 9.493 9.454 0.200 1.00 0.00 H ATOM 1560 N GLU A 131 12.509 8.138 -0.207 1.00 0.00 N ATOM 1561 CA GLU A 131 13.600 7.371 -0.814 1.00 0.00 C ATOM 1562 C GLU A 131 14.249 8.146 -1.973 1.00 0.00 C ATOM 1563 O GLU A 131 15.464 8.134 -2.102 1.00 0.00 O ATOM 1564 CB GLU A 131 13.061 6.022 -1.322 1.00 0.00 C ATOM 1565 CG GLU A 131 12.476 5.089 -0.248 1.00 0.00 C ATOM 1566 CD GLU A 131 13.527 4.491 0.695 1.00 0.00 C ATOM 1567 OE1 GLU A 131 13.722 5.128 1.756 1.00 0.00 O ATOM 1568 OE2 GLU A 131 13.727 3.257 0.582 1.00 0.00 O ATOM 1569 HA GLU A 131 14.363 7.200 -0.055 1.00 0.00 H ATOM 1570 HB2 GLU A 131 12.277 6.228 -2.050 1.00 0.00 H ATOM 1571 HB3 GLU A 131 13.881 5.497 -1.812 1.00 0.00 H ATOM 1572 HG2 GLU A 131 11.763 5.657 0.349 1.00 0.00 H ATOM 1573 HG3 GLU A 131 11.959 4.271 -0.749 1.00 0.00 H ATOM 1574 H GLU A 131 11.541 7.772 -0.306 1.00 0.00 H ATOM 1575 N SER A 132 13.471 8.899 -2.760 1.00 0.00 N ATOM 1576 CA SER A 132 13.950 9.765 -3.852 1.00 0.00 C ATOM 1577 C SER A 132 14.691 10.995 -3.333 1.00 0.00 C ATOM 1578 O SER A 132 15.660 11.421 -3.955 1.00 0.00 O ATOM 1579 CB SER A 132 12.760 10.202 -4.717 1.00 0.00 C ATOM 1580 OG SER A 132 13.128 10.943 -5.864 1.00 0.00 O ATOM 1581 HA SER A 132 14.657 9.187 -4.447 1.00 0.00 H ATOM 1582 HB2 SER A 132 12.100 10.818 -4.107 1.00 0.00 H ATOM 1583 HB3 SER A 132 12.225 9.310 -5.041 1.00 0.00 H ATOM 1584 HG SER A 132 12.314 11.190 -6.371 1.00 0.00 H ATOM 1585 H SER A 132 12.446 8.871 -2.587 1.00 0.00 H ATOM 1586 N GLN A 133 14.270 11.560 -2.195 1.00 0.00 N ATOM 1587 CA GLN A 133 15.053 12.579 -1.495 1.00 0.00 C ATOM 1588 C GLN A 133 16.387 12.001 -0.997 1.00 0.00 C ATOM 1589 O GLN A 133 17.423 12.575 -1.296 1.00 0.00 O ATOM 1590 CB GLN A 133 14.228 13.163 -0.337 1.00 0.00 C ATOM 1591 CG GLN A 133 14.881 14.411 0.275 1.00 0.00 C ATOM 1592 CD GLN A 133 14.319 14.702 1.660 1.00 0.00 C ATOM 1593 OE1 GLN A 133 13.169 15.074 1.840 1.00 0.00 O ATOM 1594 NE2 GLN A 133 15.070 14.429 2.705 1.00 0.00 N ATOM 1595 HA GLN A 133 15.290 13.384 -2.191 1.00 0.00 H ATOM 1596 HB2 GLN A 133 13.240 13.432 -0.711 1.00 0.00 H ATOM 1597 HB3 GLN A 133 14.127 12.404 0.439 1.00 0.00 H ATOM 1598 HG2 GLN A 133 15.956 14.248 0.354 1.00 0.00 H ATOM 1599 HG3 GLN A 133 14.691 15.266 -0.373 1.00 0.00 H ATOM 1600 HE22 GLN A 133 16.051 14.111 2.571 1.00 0.00 H ATOM 1601 HE21 GLN A 133 14.683 14.531 3.665 1.00 0.00 H ATOM 1602 H GLN A 133 13.356 11.265 -1.795 1.00 0.00 H ATOM 1603 N ALA A 134 16.386 10.816 -0.376 1.00 0.00 N ATOM 1604 CA ALA A 134 17.614 10.154 0.078 1.00 0.00 C ATOM 1605 C ALA A 134 18.556 9.754 -1.076 1.00 0.00 C ATOM 1606 O ALA A 134 19.741 10.044 -1.016 1.00 0.00 O ATOM 1607 CB ALA A 134 17.223 8.942 0.931 1.00 0.00 C ATOM 1608 HA ALA A 134 18.186 10.866 0.673 1.00 0.00 H ATOM 1609 HB1 ALA A 134 16.640 9.276 1.789 1.00 0.00 H ATOM 1610 HB2 ALA A 134 16.628 8.254 0.331 1.00 0.00 H ATOM 1611 HB3 ALA A 134 18.125 8.437 1.278 1.00 0.00 H ATOM 1612 H ALA A 134 15.475 10.343 -0.208 1.00 0.00 H ATOM 1613 N TYR A 135 18.016 9.285 -2.204 1.00 0.00 N ATOM 1614 CA TYR A 135 18.778 8.993 -3.425 1.00 0.00 C ATOM 1615 C TYR A 135 19.434 10.236 -4.060 1.00 0.00 C ATOM 1616 O TYR A 135 20.449 10.118 -4.742 1.00 0.00 O ATOM 1617 CB TYR A 135 17.838 8.290 -4.417 1.00 0.00 C ATOM 1618 CG TYR A 135 18.464 7.996 -5.766 1.00 0.00 C ATOM 1619 CD1 TYR A 135 19.488 7.035 -5.868 1.00 0.00 C ATOM 1620 CD2 TYR A 135 18.091 8.752 -6.895 1.00 0.00 C ATOM 1621 CE1 TYR A 135 20.162 6.848 -7.090 1.00 0.00 C ATOM 1622 CE2 TYR A 135 18.760 8.565 -8.120 1.00 0.00 C ATOM 1623 CZ TYR A 135 19.806 7.624 -8.214 1.00 0.00 C ATOM 1624 OH TYR A 135 20.479 7.477 -9.385 1.00 0.00 O ATOM 1625 HA TYR A 135 19.613 8.345 -3.158 1.00 0.00 H ATOM 1626 HB3 TYR A 135 16.969 8.928 -4.575 1.00 0.00 H ATOM 1627 HB2 TYR A 135 17.519 7.346 -3.975 1.00 0.00 H ATOM 1628 HD2 TYR A 135 17.285 9.482 -6.820 1.00 0.00 H ATOM 1629 HE2 TYR A 135 18.470 9.147 -8.995 1.00 0.00 H ATOM 1630 HE1 TYR A 135 20.957 6.106 -7.168 1.00 0.00 H ATOM 1631 HD1 TYR A 135 19.759 6.435 -5.000 1.00 0.00 H ATOM 1632 HH TYR A 135 21.175 6.781 -9.279 1.00 0.00 H ATOM 1633 H TYR A 135 16.990 9.116 -2.219 1.00 0.00 H ATOM 1634 N TYR A 136 18.861 11.424 -3.848 1.00 0.00 N ATOM 1635 CA TYR A 136 19.486 12.703 -4.197 1.00 0.00 C ATOM 1636 C TYR A 136 20.529 13.168 -3.154 1.00 0.00 C ATOM 1637 O TYR A 136 21.482 13.853 -3.519 1.00 0.00 O ATOM 1638 CB TYR A 136 18.358 13.734 -4.374 1.00 0.00 C ATOM 1639 CG TYR A 136 18.810 15.131 -4.748 1.00 0.00 C ATOM 1640 CD1 TYR A 136 19.186 16.038 -3.738 1.00 0.00 C ATOM 1641 CD2 TYR A 136 18.869 15.518 -6.101 1.00 0.00 C ATOM 1642 CE1 TYR A 136 19.638 17.327 -4.078 1.00 0.00 C ATOM 1643 CE2 TYR A 136 19.317 16.807 -6.447 1.00 0.00 C ATOM 1644 CZ TYR A 136 19.709 17.711 -5.433 1.00 0.00 C ATOM 1645 OH TYR A 136 20.159 18.949 -5.767 1.00 0.00 O ATOM 1646 HA TYR A 136 20.050 12.589 -5.123 1.00 0.00 H ATOM 1647 HB3 TYR A 136 17.809 13.798 -3.434 1.00 0.00 H ATOM 1648 HB2 TYR A 136 17.692 13.374 -5.158 1.00 0.00 H ATOM 1649 HD2 TYR A 136 18.567 14.819 -6.881 1.00 0.00 H ATOM 1650 HE2 TYR A 136 19.362 17.107 -7.494 1.00 0.00 H ATOM 1651 HE1 TYR A 136 19.932 18.027 -3.296 1.00 0.00 H ATOM 1652 HD1 TYR A 136 19.127 15.741 -2.691 1.00 0.00 H ATOM 1653 HH TYR A 136 20.389 19.449 -4.944 1.00 0.00 H ATOM 1654 H TYR A 136 17.918 11.442 -3.410 1.00 0.00 H ATOM 1655 N ASP A 137 20.314 12.856 -1.871 1.00 0.00 N ATOM 1656 CA ASP A 137 21.137 13.279 -0.723 1.00 0.00 C ATOM 1657 C ASP A 137 22.460 12.482 -0.594 1.00 0.00 C ATOM 1658 O ASP A 137 23.519 13.093 -0.427 1.00 0.00 O ATOM 1659 CB ASP A 137 20.265 13.141 0.547 1.00 0.00 C ATOM 1660 CG ASP A 137 20.646 14.068 1.710 1.00 0.00 C ATOM 1661 OD1 ASP A 137 20.593 15.295 1.457 1.00 0.00 O ATOM 1662 OD2 ASP A 137 20.406 13.624 2.859 1.00 0.00 O ATOM 1663 HA ASP A 137 21.449 14.313 -0.869 1.00 0.00 H ATOM 1664 HB2 ASP A 137 19.232 13.354 0.271 1.00 0.00 H ATOM 1665 HB3 ASP A 137 20.341 12.112 0.898 1.00 0.00 H ATOM 1666 H ASP A 137 19.488 12.259 -1.664 1.00 0.00 H ATOM 1667 N GLY A 138 22.420 11.154 -0.805 1.00 0.00 N ATOM 1668 CA GLY A 138 23.587 10.249 -0.880 1.00 0.00 C ATOM 1669 C GLY A 138 23.384 8.850 -0.289 1.00 0.00 C ATOM 1670 O GLY A 138 24.099 7.947 -0.780 1.00 0.00 O ATOM 1671 HA3 GLY A 138 24.412 10.721 -0.347 1.00 0.00 H ATOM 1672 HA2 GLY A 138 23.854 10.133 -1.930 1.00 0.00 H ATOM 1673 OXT GLY A 138 22.760 8.743 0.789 1.00 0.00 O ATOM 1674 H GLY A 138 21.481 10.724 -0.927 1.00 0.00 H TER 1675 GLY A 138 HETATM 1676 CM2 VIB A 1 -7.150 5.345 8.587 1.00 -0.00 C HETATM 1677 C2A VIB A 1 -8.388 6.112 8.154 1.00 0.08 C HETATM 1678 N3A VIB A 1 -9.162 6.666 9.113 1.00 -0.26 N HETATM 1679 C4A VIB A 1 -10.299 7.285 8.723 1.00 0.12 C HETATM 1680 N4A VIB A 1 -11.036 7.878 9.697 1.00 -0.32 N HETATM 1681 H VIB A 1 -11.909 8.350 9.460 1.00 0.18 H HETATM 1682 H VIB A 1 -10.717 7.851 10.665 1.00 0.18 H HETATM 1683 C5A VIB A 1 -10.718 7.310 7.390 1.00 -0.00 C HETATM 1684 C7A VIB A 1 -12.128 7.737 6.975 1.00 -0.07 C HETATM 1685 N3 VIB A 1 -12.497 9.155 6.734 1.00 0.42 N HETATM 1686 C2 VIB A 1 -11.657 10.250 6.774 1.00 -0.06 C HETATM 1687 S1 VIB A 1 -12.241 11.511 5.753 1.00 -0.18 S HETATM 1688 C5 VIB A 1 -13.633 10.606 5.355 1.00 -0.01 C HETATM 1689 C6 VIB A 1 -14.256 10.583 3.969 1.00 -0.02 C HETATM 1690 C7 VIB A 1 -15.671 11.183 3.971 1.00 0.05 C HETATM 1691 O1 VIB A 1 -15.568 12.601 4.109 1.00 -0.40 O HETATM 1692 H VIB A 1 -16.448 12.986 4.111 1.00 0.21 H HETATM 1693 H VIB A 1 -16.178 10.938 3.038 1.00 0.06 H HETATM 1694 H VIB A 1 -16.246 10.771 4.800 1.00 0.06 H HETATM 1695 H VIB A 1 -13.632 11.178 3.302 1.00 0.03 H HETATM 1696 H VIB A 1 -14.323 9.546 3.640 1.00 0.03 H HETATM 1697 C4 VIB A 1 -13.730 9.511 6.170 1.00 -0.09 C HETATM 1698 CM4 VIB A 1 -15.034 9.452 6.915 1.00 -0.08 C HETATM 1699 H VIB A 1 -15.136 10.341 7.538 1.00 0.02 H HETATM 1700 H VIB A 1 -15.857 9.410 6.202 1.00 0.02 H HETATM 1701 H VIB A 1 -15.052 8.562 7.544 1.00 0.02 H HETATM 1702 H VIB A 1 -13.882 8.584 5.617 1.00 0.01 H HETATM 1703 H VIB A 1 -14.448 11.301 5.558 1.00 0.04 H HETATM 1704 H VIB A 1 -11.613 10.620 7.798 1.00 0.01 H HETATM 1705 H VIB A 1 -10.669 9.947 6.427 1.00 0.01 H HETATM 1706 H VIB A 1 -12.252 7.275 5.995 1.00 0.02 H HETATM 1707 H VIB A 1 -12.737 7.462 7.836 1.00 0.02 H HETATM 1708 C6A VIB A 1 -9.867 6.692 6.472 1.00 0.00 C HETATM 1709 N1A VIB A 1 -8.682 6.156 6.837 1.00 -0.29 N HETATM 1710 H VIB A 1 -10.169 6.640 5.426 1.00 0.08 H HETATM 1711 H VIB A 1 -6.485 6.011 9.137 1.00 0.04 H HETATM 1712 H VIB A 1 -7.445 4.514 9.228 1.00 0.04 H HETATM 1713 H VIB A 1 -6.635 4.962 7.706 1.00 0.04 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 1676 1677 1711 1712 1713 CONECT 1677 1676 1678 1709 CONECT 1678 1677 1679 CONECT 1679 1678 1680 1683 CONECT 1680 1679 1681 1682 CONECT 1681 1680 CONECT 1682 1680 CONECT 1683 1679 1684 1708 CONECT 1684 1683 1685 1706 1707 CONECT 1685 1684 1686 1697 CONECT 1686 1685 1687 1704 1705 CONECT 1687 1686 1688 CONECT 1688 1687 1689 1697 1703 CONECT 1689 1688 1690 1695 1696 CONECT 1690 1689 1691 1693 1694 CONECT 1691 1690 1692 CONECT 1692 1691 CONECT 1693 1690 CONECT 1694 1690 CONECT 1695 1689 CONECT 1696 1689 CONECT 1697 1685 1688 1698 1702 CONECT 1698 1697 1699 1700 1701 CONECT 1699 1698 CONECT 1700 1698 CONECT 1701 1698 CONECT 1702 1697 CONECT 1703 1688 CONECT 1704 1686 CONECT 1705 1686 CONECT 1706 1684 CONECT 1707 1684 CONECT 1708 1683 1709 1710 CONECT 1709 1677 1708 CONECT 1710 1708 CONECT 1711 1676 CONECT 1712 1676 CONECT 1713 1676 MASTER 0 0 0 0 0 0 0 0 1712 1 42 8 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 2lh8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4h88
RCSB PDB
PDBbind
111aa, >4H88_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1sbr
RCSB PDB
PDBbind
VIB
3rlb
RCSB PDB
PDBbind
VIB
5edl
RCSB PDB
PDBbind
VIB
Entry Information
PDB ID
2lh8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Major prion protein
Ligand Name
VIB
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=65.36uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Febs J. Vol. 278: pp. 4002-4014
Ligand Properties
Formula
C
1
2
H
2
1
N
4
OS
Molecular Weight
269.386
Exact Mass
269.144
No. of atoms
39
No. of bonds
40
Polar Surface Area
101.77
LOGP Value
0.78 (
Computed with XLOGP3
)
1.75 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
OCC[C@@H]1SC[N@@H+]([C@H]1C)Cc1cnc(nc1N)C
InChI String
InChI=1S/C12H20N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,8,11,17H,3-4,6-7H2,1-2H3,(H2,13,14,15)/p+1/t8-,11-/m0/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):
P04273
Entrez Gene ID
NCBI Entrez Gene ID:
101829062
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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