Browse entries in the PDBbind-CN Database
HEADER 4JVE_COMPLEX COMPND 4JVE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 68 GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO SEQRES 2 A 68 LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA SEQRES 3 A 68 GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR SEQRES 4 A 68 LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU SEQRES 5 A 68 LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU SEQRES 6 A 68 GLY ASP LEU SEQRES 1 A 24 GLY VAL PRO SER PHE SER VAL LYS GLU HIS ARG LYS ILE SEQRES 2 A 24 TYR THR MET ILE TYR ARG ASN LEU VAL VAL VAL HET UNN A 133 61 ATOM 1 N GLN A 18 2.589 -2.814 60.664 1.00 50.67 N ATOM 2 CA GLN A 18 3.506 -1.855 61.363 1.00 49.96 C ATOM 3 C GLN A 18 4.622 -1.237 60.507 1.00 49.67 C ATOM 4 O GLN A 18 5.519 -0.539 61.020 1.00 48.76 O ATOM 5 CB GLN A 18 4.123 -2.527 62.595 1.00 50.17 C ATOM 6 CG GLN A 18 4.246 -4.038 62.527 1.00 51.76 C ATOM 7 CD GLN A 18 4.466 -4.642 63.898 1.00 52.55 C ATOM 8 OE1 GLN A 18 5.524 -4.456 64.497 1.00 53.43 O ATOM 9 NE2 GLN A 18 3.463 -5.371 64.405 1.00 52.13 N ATOM 10 HA GLN A 18 2.864 -1.017 61.635 1.00 0.00 H ATOM 11 HB2 GLN A 18 5.122 -2.115 62.736 1.00 0.00 H ATOM 12 HB3 GLN A 18 3.504 -2.279 63.457 1.00 0.00 H ATOM 13 HG2 GLN A 18 3.330 -4.449 62.102 1.00 0.00 H ATOM 14 HG3 GLN A 18 5.090 -4.296 61.887 1.00 0.00 H ATOM 15 HE22 GLN A 18 2.587 -5.500 63.860 1.00 0.00 H ATOM 16 HE21 GLN A 18 3.561 -5.808 65.344 1.00 0.00 H ATOM 17 HN3 GLN A 18 3.142 -3.613 60.293 1.00 0.00 H ATOM 18 HN2 GLN A 18 2.112 -2.326 59.879 1.00 0.00 H ATOM 19 HN1 GLN A 18 1.879 -3.166 61.337 1.00 0.00 H ATOM 20 N ILE A 19 4.590 -1.495 59.206 1.00 48.80 N ATOM 21 CA ILE A 19 5.590 -0.912 58.315 1.00 48.13 C ATOM 22 C ILE A 19 4.918 0.098 57.412 1.00 47.96 C ATOM 23 O ILE A 19 3.988 -0.257 56.693 1.00 49.91 O ATOM 24 CB ILE A 19 6.275 -1.977 57.459 1.00 47.21 C ATOM 25 CG1 ILE A 19 7.346 -2.655 58.301 1.00 45.97 C ATOM 26 CG2 ILE A 19 6.868 -1.356 56.175 1.00 45.91 C ATOM 27 CD1 ILE A 19 7.933 -3.797 57.623 1.00 45.41 C ATOM 28 HA ILE A 19 6.353 -0.432 58.928 1.00 0.00 H ATOM 29 HB ILE A 19 5.546 -2.721 57.138 1.00 0.00 H ATOM 30 HG12 ILE A 19 8.133 -1.932 58.518 1.00 0.00 H ATOM 31 HG13 ILE A 19 6.897 -2.993 59.235 1.00 0.00 H ATOM 32 HD11 ILE A 19 7.155 -4.530 57.408 1.00 0.00 H ATOM 33 HD12 ILE A 19 8.391 -3.468 56.690 1.00 0.00 H ATOM 34 HD13 ILE A 19 8.691 -4.248 58.263 1.00 0.00 H ATOM 35 HG21 ILE A 19 6.069 -0.898 55.592 1.00 0.00 H ATOM 36 HG22 ILE A 19 7.603 -0.598 56.446 1.00 0.00 H ATOM 37 HG23 ILE A 19 7.349 -2.136 55.585 1.00 0.00 H ATOM 38 H ILE A 19 3.850 -2.115 58.819 1.00 0.00 H ATOM 39 N PRO A 20 5.409 1.359 57.399 1.00 48.63 N ATOM 40 CA PRO A 20 4.807 2.407 56.559 1.00 48.11 C ATOM 41 C PRO A 20 4.482 1.950 55.137 1.00 47.15 C ATOM 42 O PRO A 20 5.172 1.089 54.579 1.00 45.74 O ATOM 43 CB PRO A 20 5.869 3.516 56.551 1.00 48.60 C ATOM 44 CG PRO A 20 6.657 3.282 57.798 1.00 48.06 C ATOM 45 CD PRO A 20 6.760 1.769 57.830 1.00 47.57 C ATOM 46 HA PRO A 20 3.841 2.721 56.956 1.00 0.00 H ATOM 47 HD3 PRO A 20 7.522 1.409 57.139 1.00 0.00 H ATOM 48 HD2 PRO A 20 6.982 1.408 58.834 1.00 0.00 H ATOM 49 HG3 PRO A 20 6.133 3.662 58.675 1.00 0.00 H ATOM 50 HG2 PRO A 20 7.642 3.745 57.737 1.00 0.00 H ATOM 51 HB2 PRO A 20 6.506 3.435 55.670 1.00 0.00 H ATOM 52 HB3 PRO A 20 5.400 4.500 56.569 1.00 0.00 H ATOM 53 N ALA A 21 3.445 2.548 54.547 1.00 46.91 N ATOM 54 CA ALA A 21 3.046 2.200 53.188 1.00 46.72 C ATOM 55 C ALA A 21 4.109 2.716 52.227 1.00 46.83 C ATOM 56 O ALA A 21 4.399 2.091 51.199 1.00 47.08 O ATOM 57 CB ALA A 21 1.686 2.820 52.851 1.00 46.93 C ATOM 58 HA ALA A 21 2.954 1.118 53.099 1.00 0.00 H ATOM 59 HB1 ALA A 21 0.935 2.446 53.547 1.00 0.00 H ATOM 60 HB2 ALA A 21 1.752 3.905 52.934 1.00 0.00 H ATOM 61 HB3 ALA A 21 1.407 2.548 51.833 1.00 0.00 H ATOM 62 H ALA A 21 2.912 3.275 55.065 1.00 0.00 H ATOM 63 N SER A 22 4.682 3.872 52.549 1.00 46.07 N ATOM 64 CA SER A 22 5.717 4.439 51.688 1.00 46.13 C ATOM 65 C SER A 22 6.856 3.423 51.548 1.00 44.69 C ATOM 66 O SER A 22 7.462 3.279 50.484 1.00 44.70 O ATOM 67 CB SER A 22 6.268 5.726 52.301 1.00 46.42 C ATOM 68 OG SER A 22 5.288 6.346 53.112 1.00 46.77 O ATOM 69 HA SER A 22 5.288 4.666 50.712 1.00 0.00 H ATOM 70 HB2 SER A 22 6.558 6.409 51.502 1.00 0.00 H ATOM 71 HB3 SER A 22 7.141 5.489 52.910 1.00 0.00 H ATOM 72 HG SER A 22 5.660 7.177 53.501 1.00 0.00 H ATOM 73 H SER A 22 4.393 4.372 53.414 1.00 0.00 H ATOM 74 N GLU A 23 7.120 2.713 52.636 1.00 42.88 N ATOM 75 CA GLU A 23 8.177 1.721 52.671 1.00 42.55 C ATOM 76 C GLU A 23 7.758 0.374 52.090 1.00 41.20 C ATOM 77 O GLU A 23 8.599 -0.438 51.734 1.00 42.10 O ATOM 78 CB GLU A 23 8.659 1.546 54.107 1.00 42.74 C ATOM 79 CG GLU A 23 9.680 0.445 54.249 1.00 44.69 C ATOM 80 CD GLU A 23 10.481 0.559 55.509 1.00 45.49 C ATOM 81 OE1 GLU A 23 10.109 1.388 56.353 1.00 46.16 O ATOM 82 OE2 GLU A 23 11.479 -0.182 55.665 1.00 48.16 O ATOM 83 HA GLU A 23 8.985 2.090 52.040 1.00 0.00 H ATOM 84 HB2 GLU A 23 9.106 2.482 54.441 1.00 0.00 H ATOM 85 HB3 GLU A 23 7.801 1.310 54.737 1.00 0.00 H ATOM 86 HG2 GLU A 23 9.162 -0.514 54.251 1.00 0.00 H ATOM 87 HG3 GLU A 23 10.360 0.488 53.398 1.00 0.00 H ATOM 88 H GLU A 23 6.551 2.873 53.492 1.00 0.00 H ATOM 89 N GLN A 24 6.459 0.126 52.011 1.00 39.98 N ATOM 90 CA GLN A 24 5.987 -1.128 51.458 1.00 37.92 C ATOM 91 C GLN A 24 5.963 -0.968 49.946 1.00 36.79 C ATOM 92 O GLN A 24 5.941 -1.949 49.203 1.00 37.05 O ATOM 93 CB GLN A 24 4.585 -1.447 51.978 1.00 38.43 C ATOM 94 CG GLN A 24 4.500 -1.725 53.471 1.00 39.14 C ATOM 95 CD GLN A 24 3.111 -2.177 53.890 1.00 41.19 C ATOM 96 OE1 GLN A 24 2.159 -2.098 53.112 1.00 41.95 O ATOM 97 NE2 GLN A 24 2.988 -2.647 55.124 1.00 41.27 N ATOM 98 HA GLN A 24 6.641 -1.949 51.752 1.00 0.00 H ATOM 99 HB2 GLN A 24 3.940 -0.597 51.755 1.00 0.00 H ATOM 100 HB3 GLN A 24 4.220 -2.327 51.449 1.00 0.00 H ATOM 101 HG2 GLN A 24 5.216 -2.507 53.725 1.00 0.00 H ATOM 102 HG3 GLN A 24 4.752 -0.814 54.013 1.00 0.00 H ATOM 103 HE22 GLN A 24 3.819 -2.696 55.747 1.00 0.00 H ATOM 104 HE21 GLN A 24 2.060 -2.967 55.469 1.00 0.00 H ATOM 105 H GLN A 24 5.775 0.834 52.347 1.00 0.00 H ATOM 106 N GLU A 25 6.003 0.284 49.500 1.00 35.98 N ATOM 107 CA GLU A 25 5.984 0.621 48.075 1.00 34.95 C ATOM 108 C GLU A 25 7.369 0.577 47.444 1.00 33.07 C ATOM 109 O GLU A 25 7.500 0.282 46.266 1.00 33.49 O ATOM 110 CB GLU A 25 5.394 2.027 47.886 1.00 37.43 C ATOM 111 CG GLU A 25 5.182 2.464 46.430 1.00 40.39 C ATOM 112 CD GLU A 25 6.475 2.661 45.637 1.00 43.60 C ATOM 113 OE1 GLU A 25 6.784 1.792 44.791 1.00 42.75 O ATOM 114 OE2 GLU A 25 7.173 3.685 45.852 1.00 44.41 O ATOM 115 HA GLU A 25 5.369 -0.129 47.577 1.00 0.00 H ATOM 116 HB2 GLU A 25 4.428 2.057 48.390 1.00 0.00 H ATOM 117 HB3 GLU A 25 6.070 2.741 48.356 1.00 0.00 H ATOM 118 HG2 GLU A 25 4.586 1.702 45.928 1.00 0.00 H ATOM 119 HG3 GLU A 25 4.636 3.407 46.433 1.00 0.00 H ATOM 120 H GLU A 25 6.050 1.058 50.193 1.00 0.00 H ATOM 121 N THR A 26 8.396 0.883 48.228 1.00 31.09 N ATOM 122 CA THR A 26 9.772 0.894 47.731 1.00 30.31 C ATOM 123 C THR A 26 10.067 -0.209 46.724 1.00 29.49 C ATOM 124 O THR A 26 9.941 -1.397 47.035 1.00 29.66 O ATOM 125 CB THR A 26 10.789 0.750 48.876 1.00 29.51 C ATOM 126 OG1 THR A 26 10.568 1.779 49.843 1.00 30.38 O ATOM 127 CG2 THR A 26 12.217 0.855 48.337 1.00 32.53 C ATOM 128 HA THR A 26 9.872 1.860 47.236 1.00 0.00 H ATOM 129 HB THR A 26 10.659 -0.227 49.341 1.00 0.00 H ATOM 130 HG1 THR A 26 11.223 1.685 50.579 1.00 0.00 H ATOM 131 HG23 THR A 26 12.384 0.070 47.600 1.00 0.00 H ATOM 132 HG21 THR A 26 12.357 1.830 47.870 1.00 0.00 H ATOM 133 HG22 THR A 26 12.924 0.740 49.159 1.00 0.00 H ATOM 134 H THR A 26 8.217 1.122 49.224 1.00 0.00 H ATOM 135 N LEU A 27 10.460 0.192 45.517 1.00 26.29 N ATOM 136 CA LEU A 27 10.778 -0.760 44.459 1.00 25.61 C ATOM 137 C LEU A 27 12.211 -1.257 44.683 1.00 24.20 C ATOM 138 O LEU A 27 13.139 -0.465 44.851 1.00 22.76 O ATOM 139 CB LEU A 27 10.659 -0.095 43.091 1.00 26.58 C ATOM 140 CG LEU A 27 10.617 -1.015 41.866 1.00 28.98 C ATOM 141 CD1 LEU A 27 9.351 -1.868 41.900 1.00 29.51 C ATOM 142 CD2 LEU A 27 10.645 -0.172 40.580 1.00 28.49 C ATOM 143 HA LEU A 27 10.079 -1.596 44.486 1.00 0.00 H ATOM 144 HB2 LEU A 27 9.742 0.494 43.091 1.00 0.00 H ATOM 145 HB3 LEU A 27 11.515 0.569 42.973 1.00 0.00 H ATOM 146 HG LEU A 27 11.488 -1.670 41.882 1.00 0.00 H ATOM 147 HD21 LEU A 27 9.780 0.491 40.563 1.00 0.00 H ATOM 148 HD22 LEU A 27 11.560 0.420 40.555 1.00 0.00 H ATOM 149 HD23 LEU A 27 10.615 -0.832 39.713 1.00 0.00 H ATOM 150 HD11 LEU A 27 9.347 -2.474 42.806 1.00 0.00 H ATOM 151 HD12 LEU A 27 8.476 -1.218 41.892 1.00 0.00 H ATOM 152 HD13 LEU A 27 9.329 -2.519 41.026 1.00 0.00 H ATOM 153 H LEU A 27 10.542 1.211 45.324 1.00 0.00 H ATOM 154 N VAL A 28 12.381 -2.574 44.662 1.00 21.06 N ATOM 155 CA VAL A 28 13.666 -3.196 44.934 1.00 18.96 C ATOM 156 C VAL A 28 14.041 -4.276 43.924 1.00 19.08 C ATOM 157 O VAL A 28 13.187 -4.758 43.184 1.00 19.40 O ATOM 158 CB VAL A 28 13.630 -3.836 46.335 1.00 15.86 C ATOM 159 CG1 VAL A 28 13.228 -2.802 47.368 1.00 16.10 C ATOM 160 CG2 VAL A 28 12.627 -4.990 46.350 1.00 14.83 C ATOM 161 HA VAL A 28 14.416 -2.408 44.866 1.00 0.00 H ATOM 162 HB VAL A 28 14.623 -4.215 46.576 1.00 0.00 H ATOM 163 HG11 VAL A 28 13.951 -1.986 47.364 1.00 0.00 H ATOM 164 HG12 VAL A 28 12.239 -2.413 47.125 1.00 0.00 H ATOM 165 HG13 VAL A 28 13.206 -3.265 48.354 1.00 0.00 H ATOM 166 HG21 VAL A 28 11.636 -4.612 46.100 1.00 0.00 H ATOM 167 HG22 VAL A 28 12.927 -5.740 45.618 1.00 0.00 H ATOM 168 HG23 VAL A 28 12.606 -5.439 47.343 1.00 0.00 H ATOM 169 H VAL A 28 11.566 -3.182 44.443 1.00 0.00 H ATOM 170 N ARG A 29 15.323 -4.648 43.923 1.00 18.19 N ATOM 171 CA ARG A 29 15.867 -5.681 43.046 1.00 18.34 C ATOM 172 C ARG A 29 16.531 -6.769 43.912 1.00 18.62 C ATOM 173 O ARG A 29 17.556 -6.539 44.545 1.00 18.94 O ATOM 174 CB ARG A 29 16.904 -5.084 42.074 1.00 19.13 C ATOM 175 CG ARG A 29 17.336 -6.056 40.973 1.00 21.04 C ATOM 176 CD ARG A 29 18.439 -5.513 40.048 1.00 25.77 C ATOM 177 NE ARG A 29 17.939 -4.965 38.780 1.00 25.65 N ATOM 178 CZ ARG A 29 17.558 -3.705 38.610 1.00 25.63 C ATOM 179 NH1 ARG A 29 17.615 -2.851 39.624 1.00 27.23 N ATOM 180 NH2 ARG A 29 17.135 -3.296 37.422 1.00 26.85 N ATOM 181 HA ARG A 29 15.057 -6.111 42.457 1.00 0.00 H ATOM 182 HB2 ARG A 29 16.470 -4.201 41.605 1.00 0.00 H ATOM 183 HB3 ARG A 29 17.786 -4.794 42.645 1.00 0.00 H ATOM 184 HG2 ARG A 29 17.704 -6.967 41.446 1.00 0.00 H ATOM 185 HG3 ARG A 29 16.464 -6.292 40.363 1.00 0.00 H ATOM 186 HD2 ARG A 29 19.129 -6.326 39.822 1.00 0.00 H ATOM 187 HD3 ARG A 29 18.972 -4.723 40.577 1.00 0.00 H ATOM 188 HE ARG A 29 17.880 -5.606 37.963 1.00 0.00 H ATOM 189 HH12 ARG A 29 17.316 -1.864 39.490 1.00 0.00 H ATOM 190 HH11 ARG A 29 17.958 -3.169 40.553 1.00 0.00 H ATOM 191 HH22 ARG A 29 16.836 -2.309 37.288 1.00 0.00 H ATOM 192 HH21 ARG A 29 17.102 -3.962 36.624 1.00 0.00 H ATOM 193 H ARG A 29 15.971 -4.175 44.585 1.00 0.00 H ATOM 194 N PRO A 30 15.946 -7.971 43.945 1.00 18.43 N ATOM 195 CA PRO A 30 16.473 -9.091 44.733 1.00 18.58 C ATOM 196 C PRO A 30 17.791 -9.702 44.263 1.00 18.61 C ATOM 197 O PRO A 30 18.010 -9.893 43.071 1.00 20.25 O ATOM 198 CB PRO A 30 15.342 -10.120 44.673 1.00 17.24 C ATOM 199 CG PRO A 30 14.127 -9.292 44.473 1.00 16.88 C ATOM 200 CD PRO A 30 14.589 -8.276 43.466 1.00 17.84 C ATOM 201 HA PRO A 30 16.738 -8.742 45.731 1.00 0.00 H ATOM 202 HD3 PRO A 30 14.608 -8.695 42.460 1.00 0.00 H ATOM 203 HD2 PRO A 30 13.955 -7.389 43.477 1.00 0.00 H ATOM 204 HG3 PRO A 30 13.818 -8.814 45.403 1.00 0.00 H ATOM 205 HG2 PRO A 30 13.303 -9.889 44.082 1.00 0.00 H ATOM 206 HB2 PRO A 30 15.486 -10.808 43.840 1.00 0.00 H ATOM 207 HB3 PRO A 30 15.280 -10.685 45.603 1.00 0.00 H ATOM 208 N LYS A 31 18.657 -10.020 45.215 1.00 17.36 N ATOM 209 CA LYS A 31 19.923 -10.653 44.903 1.00 17.29 C ATOM 210 C LYS A 31 19.605 -12.091 44.491 1.00 17.63 C ATOM 211 O LYS A 31 18.513 -12.589 44.750 1.00 16.63 O ATOM 212 CB LYS A 31 20.848 -10.603 46.121 1.00 16.66 C ATOM 213 CG LYS A 31 21.238 -9.167 46.476 1.00 20.06 C ATOM 214 CD LYS A 31 22.158 -9.074 47.671 1.00 20.87 C ATOM 215 CE LYS A 31 22.389 -7.618 48.033 1.00 25.31 C ATOM 216 NZ LYS A 31 23.425 -7.450 49.099 1.00 24.32 N ATOM 217 HA LYS A 31 20.443 -10.140 44.094 1.00 0.00 H ATOM 218 HB2 LYS A 31 20.336 -11.051 46.973 1.00 0.00 H ATOM 219 HB3 LYS A 31 21.752 -11.171 45.902 1.00 0.00 H ATOM 220 HG2 LYS A 31 21.741 -8.723 45.617 1.00 0.00 H ATOM 221 HG3 LYS A 31 20.330 -8.606 46.694 1.00 0.00 H ATOM 222 HD2 LYS A 31 21.705 -9.590 48.518 1.00 0.00 H ATOM 223 HD3 LYS A 31 23.112 -9.543 47.430 1.00 0.00 H ATOM 224 HE2 LYS A 31 21.450 -7.192 48.387 1.00 0.00 H ATOM 225 HE3 LYS A 31 22.715 -7.083 47.141 1.00 0.00 H ATOM 226 HZ1 LYS A 31 23.120 -7.950 49.959 1.00 0.00 H ATOM 227 HZ2 LYS A 31 24.328 -7.845 48.768 1.00 0.00 H ATOM 228 HZ3 LYS A 31 23.544 -6.438 49.309 1.00 0.00 H ATOM 229 H LYS A 31 18.423 -9.811 46.207 1.00 0.00 H ATOM 230 N PRO A 32 20.555 -12.772 43.840 1.00 17.53 N ATOM 231 CA PRO A 32 20.399 -14.152 43.369 1.00 19.96 C ATOM 232 C PRO A 32 19.686 -15.156 44.291 1.00 20.47 C ATOM 233 O PRO A 32 18.782 -15.851 43.851 1.00 19.13 O ATOM 234 CB PRO A 32 21.833 -14.565 43.056 1.00 21.68 C ATOM 235 CG PRO A 32 22.443 -13.270 42.581 1.00 19.98 C ATOM 236 CD PRO A 32 21.931 -12.298 43.612 1.00 18.72 C ATOM 237 HA PRO A 32 19.710 -14.173 42.524 1.00 0.00 H ATOM 238 HD3 PRO A 32 22.521 -12.346 44.527 1.00 0.00 H ATOM 239 HD2 PRO A 32 21.938 -11.277 43.230 1.00 0.00 H ATOM 240 HG3 PRO A 32 22.096 -13.009 41.581 1.00 0.00 H ATOM 241 HG2 PRO A 32 23.532 -13.318 42.585 1.00 0.00 H ATOM 242 HB2 PRO A 32 22.340 -14.938 43.946 1.00 0.00 H ATOM 243 HB3 PRO A 32 21.864 -15.326 42.276 1.00 0.00 H ATOM 244 N LEU A 33 20.087 -15.240 45.554 1.00 19.65 N ATOM 245 CA LEU A 33 19.459 -16.191 46.471 1.00 20.50 C ATOM 246 C LEU A 33 17.969 -15.920 46.677 1.00 18.63 C ATOM 247 O LEU A 33 17.154 -16.828 46.593 1.00 16.90 O ATOM 248 CB LEU A 33 20.199 -16.199 47.812 1.00 20.89 C ATOM 249 CG LEU A 33 21.483 -17.047 47.817 1.00 24.16 C ATOM 250 CD1 LEU A 33 22.483 -16.486 48.794 1.00 27.72 C ATOM 251 CD2 LEU A 33 21.157 -18.497 48.168 1.00 27.61 C ATOM 252 HA LEU A 33 19.534 -17.177 46.011 1.00 0.00 H ATOM 253 HB2 LEU A 33 20.466 -15.172 48.062 1.00 0.00 H ATOM 254 HB3 LEU A 33 19.525 -16.593 48.573 1.00 0.00 H ATOM 255 HG LEU A 33 21.921 -17.017 46.819 1.00 0.00 H ATOM 256 HD21 LEU A 33 20.699 -18.536 49.156 1.00 0.00 H ATOM 257 HD22 LEU A 33 20.465 -18.901 47.429 1.00 0.00 H ATOM 258 HD23 LEU A 33 22.075 -19.085 48.168 1.00 0.00 H ATOM 259 HD11 LEU A 33 22.734 -15.464 48.509 1.00 0.00 H ATOM 260 HD12 LEU A 33 22.052 -16.489 49.795 1.00 0.00 H ATOM 261 HD13 LEU A 33 23.384 -17.100 48.783 1.00 0.00 H ATOM 262 H LEU A 33 20.854 -14.625 45.894 1.00 0.00 H ATOM 263 N LEU A 34 17.617 -14.666 46.923 1.00 17.38 N ATOM 264 CA LEU A 34 16.226 -14.307 47.123 1.00 14.80 C ATOM 265 C LEU A 34 15.426 -14.473 45.831 1.00 17.38 C ATOM 266 O LEU A 34 14.345 -15.058 45.833 1.00 15.91 O ATOM 267 CB LEU A 34 16.120 -12.869 47.638 1.00 12.39 C ATOM 268 CG LEU A 34 14.714 -12.269 47.748 1.00 11.14 C ATOM 269 CD1 LEU A 34 13.765 -13.254 48.406 1.00 9.98 C ATOM 270 CD2 LEU A 34 14.777 -10.977 48.537 1.00 8.41 C ATOM 271 HA LEU A 34 15.803 -14.980 47.869 1.00 0.00 H ATOM 272 HB2 LEU A 34 16.568 -12.842 48.631 1.00 0.00 H ATOM 273 HB3 LEU A 34 16.696 -12.235 46.964 1.00 0.00 H ATOM 274 HG LEU A 34 14.336 -12.056 46.748 1.00 0.00 H ATOM 275 HD21 LEU A 34 15.165 -11.181 49.535 1.00 0.00 H ATOM 276 HD22 LEU A 34 15.434 -10.273 48.027 1.00 0.00 H ATOM 277 HD23 LEU A 34 13.777 -10.551 48.615 1.00 0.00 H ATOM 278 HD11 LEU A 34 13.716 -14.164 47.808 1.00 0.00 H ATOM 279 HD12 LEU A 34 14.127 -13.493 49.406 1.00 0.00 H ATOM 280 HD13 LEU A 34 12.772 -12.809 48.475 1.00 0.00 H ATOM 281 H LEU A 34 18.349 -13.929 46.973 1.00 0.00 H ATOM 282 N LEU A 35 15.967 -13.969 44.729 1.00 18.01 N ATOM 283 CA LEU A 35 15.286 -14.064 43.446 1.00 22.36 C ATOM 284 C LEU A 35 14.919 -15.506 43.131 1.00 22.39 C ATOM 285 O LEU A 35 13.826 -15.775 42.633 1.00 21.97 O ATOM 286 CB LEU A 35 16.170 -13.542 42.313 1.00 23.79 C ATOM 287 CG LEU A 35 15.504 -12.622 41.286 1.00 26.62 C ATOM 288 CD1 LEU A 35 16.394 -12.499 40.045 1.00 26.25 C ATOM 289 CD2 LEU A 35 14.137 -13.162 40.906 1.00 26.05 C ATOM 290 HA LEU A 35 14.384 -13.457 43.521 1.00 0.00 H ATOM 291 HB2 LEU A 35 16.994 -12.990 42.765 1.00 0.00 H ATOM 292 HB3 LEU A 35 16.563 -14.406 41.777 1.00 0.00 H ATOM 293 HG LEU A 35 15.374 -11.633 41.726 1.00 0.00 H ATOM 294 HD21 LEU A 35 14.248 -14.157 40.475 1.00 0.00 H ATOM 295 HD22 LEU A 35 13.510 -13.218 41.796 1.00 0.00 H ATOM 296 HD23 LEU A 35 13.676 -12.498 40.175 1.00 0.00 H ATOM 297 HD11 LEU A 35 17.359 -12.081 40.332 1.00 0.00 H ATOM 298 HD12 LEU A 35 16.540 -13.485 39.605 1.00 0.00 H ATOM 299 HD13 LEU A 35 15.914 -11.843 39.319 1.00 0.00 H ATOM 300 H LEU A 35 16.893 -13.498 44.783 1.00 0.00 H ATOM 301 N LYS A 36 15.839 -16.423 43.422 1.00 23.14 N ATOM 302 CA LYS A 36 15.623 -17.840 43.149 1.00 24.14 C ATOM 303 C LYS A 36 14.485 -18.427 43.972 1.00 23.85 C ATOM 304 O LYS A 36 13.740 -19.278 43.501 1.00 24.67 O ATOM 305 CB LYS A 36 16.916 -18.631 43.388 1.00 25.78 C ATOM 306 CG LYS A 36 16.753 -20.134 43.186 1.00 29.37 C ATOM 307 CD LYS A 36 18.073 -20.814 42.844 1.00 32.48 C ATOM 308 CE LYS A 36 19.145 -20.523 43.886 1.00 33.58 C ATOM 309 NZ LYS A 36 20.463 -21.084 43.454 1.00 37.74 N ATOM 310 HA LYS A 36 15.335 -17.923 42.101 1.00 0.00 H ATOM 311 HB2 LYS A 36 17.676 -18.269 42.695 1.00 0.00 H ATOM 312 HB3 LYS A 36 17.246 -18.453 44.412 1.00 0.00 H ATOM 313 HG2 LYS A 36 16.360 -20.571 44.104 1.00 0.00 H ATOM 314 HG3 LYS A 36 16.048 -20.305 42.372 1.00 0.00 H ATOM 315 HD2 LYS A 36 17.913 -21.891 42.793 1.00 0.00 H ATOM 316 HD3 LYS A 36 18.416 -20.453 41.874 1.00 0.00 H ATOM 317 HE2 LYS A 36 18.856 -20.976 44.834 1.00 0.00 H ATOM 318 HE3 LYS A 36 19.238 -19.444 44.013 1.00 0.00 H ATOM 319 HZ1 LYS A 36 20.378 -22.114 43.335 1.00 0.00 H ATOM 320 HZ2 LYS A 36 20.743 -20.651 42.551 1.00 0.00 H ATOM 321 HZ3 LYS A 36 21.181 -20.876 44.177 1.00 0.00 H ATOM 322 H LYS A 36 16.735 -16.122 43.855 1.00 0.00 H ATOM 323 N LEU A 37 14.357 -17.979 45.211 1.00 21.77 N ATOM 324 CA LEU A 37 13.287 -18.466 46.062 1.00 21.68 C ATOM 325 C LEU A 37 11.977 -17.969 45.449 1.00 20.54 C ATOM 326 O LEU A 37 11.048 -18.741 45.232 1.00 19.20 O ATOM 327 CB LEU A 37 13.451 -17.927 47.488 1.00 20.75 C ATOM 328 CG LEU A 37 12.347 -18.181 48.521 1.00 20.62 C ATOM 329 CD1 LEU A 37 12.897 -17.943 49.931 1.00 19.54 C ATOM 330 CD2 LEU A 37 11.167 -17.271 48.239 1.00 22.43 C ATOM 331 HA LEU A 37 13.300 -19.554 46.123 1.00 0.00 H ATOM 332 HB2 LEU A 37 14.367 -18.362 47.888 1.00 0.00 H ATOM 333 HB3 LEU A 37 13.568 -16.846 47.408 1.00 0.00 H ATOM 334 HG LEU A 37 12.009 -19.215 48.453 1.00 0.00 H ATOM 335 HD21 LEU A 37 11.489 -16.231 48.300 1.00 0.00 H ATOM 336 HD22 LEU A 37 10.783 -17.476 47.240 1.00 0.00 H ATOM 337 HD23 LEU A 37 10.384 -17.454 48.975 1.00 0.00 H ATOM 338 HD11 LEU A 37 13.729 -18.623 50.115 1.00 0.00 H ATOM 339 HD12 LEU A 37 13.243 -16.913 50.016 1.00 0.00 H ATOM 340 HD13 LEU A 37 12.109 -18.125 50.662 1.00 0.00 H ATOM 341 H LEU A 37 15.028 -17.273 45.577 1.00 0.00 H ATOM 342 N LEU A 38 11.922 -16.678 45.143 1.00 19.81 N ATOM 343 CA LEU A 38 10.721 -16.088 44.557 1.00 20.97 C ATOM 344 C LEU A 38 10.293 -16.788 43.276 1.00 21.13 C ATOM 345 O LEU A 38 9.127 -17.137 43.097 1.00 21.98 O ATOM 346 CB LEU A 38 10.945 -14.598 44.277 1.00 19.83 C ATOM 347 CG LEU A 38 10.522 -13.584 45.344 1.00 22.19 C ATOM 348 CD1 LEU A 38 11.031 -13.995 46.698 1.00 20.87 C ATOM 349 CD2 LEU A 38 11.045 -12.210 44.964 1.00 23.95 C ATOM 350 HA LEU A 38 9.919 -16.214 45.285 1.00 0.00 H ATOM 351 HB2 LEU A 38 12.012 -14.459 44.105 1.00 0.00 H ATOM 352 HB3 LEU A 38 10.397 -14.355 43.366 1.00 0.00 H ATOM 353 HG LEU A 38 9.434 -13.549 45.397 1.00 0.00 H ATOM 354 HD21 LEU A 38 12.133 -12.242 44.900 1.00 0.00 H ATOM 355 HD22 LEU A 38 10.631 -11.919 43.998 1.00 0.00 H ATOM 356 HD23 LEU A 38 10.745 -11.486 45.722 1.00 0.00 H ATOM 357 HD11 LEU A 38 10.622 -14.972 46.957 1.00 0.00 H ATOM 358 HD12 LEU A 38 12.119 -14.050 46.674 1.00 0.00 H ATOM 359 HD13 LEU A 38 10.719 -13.261 47.440 1.00 0.00 H ATOM 360 H LEU A 38 12.750 -16.075 45.324 1.00 0.00 H ATOM 361 N LYS A 39 11.236 -17.005 42.374 1.00 20.81 N ATOM 362 CA LYS A 39 10.867 -17.646 41.135 1.00 23.50 C ATOM 363 C LYS A 39 10.355 -19.051 41.401 1.00 24.26 C ATOM 364 O LYS A 39 9.395 -19.487 40.763 1.00 23.48 O ATOM 365 CB LYS A 39 12.042 -17.624 40.164 1.00 24.67 C ATOM 366 CG LYS A 39 12.368 -16.185 39.758 1.00 28.56 C ATOM 367 CD LYS A 39 13.432 -16.096 38.683 1.00 32.24 C ATOM 368 CE LYS A 39 13.306 -14.777 37.917 1.00 32.95 C ATOM 369 NZ LYS A 39 14.361 -14.631 36.889 1.00 36.25 N ATOM 370 HA LYS A 39 10.052 -17.095 40.666 1.00 0.00 H ATOM 371 HB2 LYS A 39 12.914 -18.069 40.644 1.00 0.00 H ATOM 372 HB3 LYS A 39 11.785 -18.199 39.275 1.00 0.00 H ATOM 373 HG2 LYS A 39 11.458 -15.715 39.385 1.00 0.00 H ATOM 374 HG3 LYS A 39 12.719 -15.647 40.639 1.00 0.00 H ATOM 375 HD2 LYS A 39 14.417 -16.150 39.147 1.00 0.00 H ATOM 376 HD3 LYS A 39 13.312 -16.928 37.989 1.00 0.00 H ATOM 377 HE2 LYS A 39 13.385 -13.950 38.623 1.00 0.00 H ATOM 378 HE3 LYS A 39 12.332 -14.744 37.429 1.00 0.00 H ATOM 379 HZ1 LYS A 39 15.295 -14.654 37.347 1.00 0.00 H ATOM 380 HZ2 LYS A 39 14.289 -15.412 36.206 1.00 0.00 H ATOM 381 HZ3 LYS A 39 14.238 -13.724 36.394 1.00 0.00 H ATOM 382 H LYS A 39 12.220 -16.720 42.554 1.00 0.00 H ATOM 383 N SER A 40 10.963 -19.747 42.359 1.00 24.24 N ATOM 384 CA SER A 40 10.518 -21.096 42.686 1.00 23.40 C ATOM 385 C SER A 40 9.024 -21.057 42.976 1.00 23.79 C ATOM 386 O SER A 40 8.347 -22.055 42.805 1.00 23.97 O ATOM 387 CB SER A 40 11.244 -21.642 43.915 1.00 24.94 C ATOM 388 OG SER A 40 10.710 -21.094 45.112 1.00 23.96 O ATOM 389 HA SER A 40 10.739 -21.748 41.841 1.00 0.00 H ATOM 390 HB2 SER A 40 12.301 -21.386 43.847 1.00 0.00 H ATOM 391 HB3 SER A 40 11.135 -22.726 43.940 1.00 0.00 H ATOM 392 HG SER A 40 10.811 -20.109 45.096 1.00 0.00 H ATOM 393 H SER A 40 11.760 -19.326 42.877 1.00 0.00 H ATOM 394 N VAL A 41 8.503 -19.908 43.403 1.00 24.87 N ATOM 395 CA VAL A 41 7.070 -19.812 43.687 1.00 24.54 C ATOM 396 C VAL A 41 6.227 -19.094 42.641 1.00 25.20 C ATOM 397 O VAL A 41 5.084 -18.744 42.901 1.00 24.99 O ATOM 398 CB VAL A 41 6.784 -19.146 45.050 1.00 24.08 C ATOM 399 CG1 VAL A 41 7.230 -20.054 46.183 1.00 24.26 C ATOM 400 CG2 VAL A 41 7.454 -17.803 45.121 1.00 20.96 C ATOM 401 HA VAL A 41 6.769 -20.860 43.684 1.00 0.00 H ATOM 402 HB VAL A 41 5.710 -18.989 45.154 1.00 0.00 H ATOM 403 HG11 VAL A 41 6.687 -20.997 46.126 1.00 0.00 H ATOM 404 HG12 VAL A 41 8.300 -20.243 46.096 1.00 0.00 H ATOM 405 HG13 VAL A 41 7.022 -19.571 47.138 1.00 0.00 H ATOM 406 HG21 VAL A 41 8.530 -17.929 45.003 1.00 0.00 H ATOM 407 HG22 VAL A 41 7.072 -17.165 44.324 1.00 0.00 H ATOM 408 HG23 VAL A 41 7.244 -17.344 46.087 1.00 0.00 H ATOM 409 H VAL A 41 9.115 -19.078 43.535 1.00 0.00 H ATOM 410 N GLY A 42 6.781 -18.873 41.458 1.00 27.48 N ATOM 411 CA GLY A 42 6.008 -18.217 40.417 1.00 29.25 C ATOM 412 C GLY A 42 6.460 -16.842 39.951 1.00 31.21 C ATOM 413 O GLY A 42 6.217 -16.480 38.802 1.00 32.79 O ATOM 414 HA3 GLY A 42 4.988 -18.115 40.786 1.00 0.00 H ATOM 415 HA2 GLY A 42 6.014 -18.873 39.546 1.00 0.00 H ATOM 416 H GLY A 42 7.762 -19.167 41.276 1.00 0.00 H ATOM 417 N ALA A 43 7.103 -16.073 40.825 1.00 30.61 N ATOM 418 CA ALA A 43 7.565 -14.730 40.473 1.00 31.74 C ATOM 419 C ALA A 43 8.263 -14.721 39.114 1.00 31.84 C ATOM 420 O ALA A 43 9.000 -15.636 38.782 1.00 33.03 O ATOM 421 CB ALA A 43 8.501 -14.196 41.549 1.00 29.32 C ATOM 422 HA ALA A 43 6.692 -14.081 40.406 1.00 0.00 H ATOM 423 HB1 ALA A 43 7.972 -14.153 42.501 1.00 0.00 H ATOM 424 HB2 ALA A 43 9.363 -14.857 41.640 1.00 0.00 H ATOM 425 HB3 ALA A 43 8.837 -13.196 41.273 1.00 0.00 H ATOM 426 H ALA A 43 7.282 -16.435 41.783 1.00 0.00 H ATOM 427 N GLN A 44 8.048 -13.665 38.347 1.00 34.24 N ATOM 428 CA GLN A 44 8.622 -13.573 37.015 1.00 37.12 C ATOM 429 C GLN A 44 9.527 -12.355 36.760 1.00 36.67 C ATOM 430 O GLN A 44 10.382 -12.385 35.879 1.00 38.24 O ATOM 431 CB GLN A 44 7.471 -13.605 36.000 1.00 38.93 C ATOM 432 CG GLN A 44 6.603 -14.872 36.137 1.00 44.17 C ATOM 433 CD GLN A 44 5.416 -14.907 35.192 1.00 46.82 C ATOM 434 OE1 GLN A 44 4.432 -14.191 35.385 1.00 50.28 O ATOM 435 NE2 GLN A 44 5.506 -15.742 34.155 1.00 47.65 N ATOM 436 HA GLN A 44 9.293 -14.425 36.907 1.00 0.00 H ATOM 437 HB2 GLN A 44 6.841 -12.730 36.157 1.00 0.00 H ATOM 438 HB3 GLN A 44 7.890 -13.574 34.994 1.00 0.00 H ATOM 439 HG2 GLN A 44 7.229 -15.741 35.935 1.00 0.00 H ATOM 440 HG3 GLN A 44 6.230 -14.924 37.160 1.00 0.00 H ATOM 441 HE22 GLN A 44 6.356 -16.328 34.032 1.00 0.00 H ATOM 442 HE21 GLN A 44 4.726 -15.807 33.470 1.00 0.00 H ATOM 443 H GLN A 44 7.458 -12.887 38.704 1.00 0.00 H ATOM 444 N LYS A 45 9.361 -11.298 37.546 1.00 35.18 N ATOM 445 CA LYS A 45 10.139 -10.078 37.351 1.00 33.98 C ATOM 446 C LYS A 45 11.537 -10.046 37.959 1.00 32.04 C ATOM 447 O LYS A 45 11.945 -10.963 38.656 1.00 31.19 O ATOM 448 CB LYS A 45 9.332 -8.896 37.881 1.00 36.10 C ATOM 449 CG LYS A 45 7.897 -8.854 37.356 1.00 38.01 C ATOM 450 CD LYS A 45 7.094 -7.684 37.939 1.00 41.65 C ATOM 451 CE LYS A 45 6.932 -7.790 39.445 1.00 42.11 C ATOM 452 NZ LYS A 45 6.263 -6.575 40.002 1.00 43.00 N ATOM 453 HA LYS A 45 10.316 -10.029 36.277 1.00 0.00 H ATOM 454 HB2 LYS A 45 9.300 -8.959 38.969 1.00 0.00 H ATOM 455 HB3 LYS A 45 9.835 -7.975 37.587 1.00 0.00 H ATOM 456 HG2 LYS A 45 7.924 -8.754 36.271 1.00 0.00 H ATOM 457 HG3 LYS A 45 7.400 -9.787 37.621 1.00 0.00 H ATOM 458 HD2 LYS A 45 7.611 -6.753 37.706 1.00 0.00 H ATOM 459 HD3 LYS A 45 6.106 -7.674 37.480 1.00 0.00 H ATOM 460 HE2 LYS A 45 7.916 -7.896 39.902 1.00 0.00 H ATOM 461 HE3 LYS A 45 6.328 -8.667 39.677 1.00 0.00 H ATOM 462 HZ1 LYS A 45 6.838 -5.735 39.787 1.00 0.00 H ATOM 463 HZ2 LYS A 45 5.322 -6.471 39.572 1.00 0.00 H ATOM 464 HZ3 LYS A 45 6.166 -6.676 41.033 1.00 0.00 H ATOM 465 H LYS A 45 8.663 -11.340 38.316 1.00 0.00 H ATOM 466 N ASP A 46 12.268 -8.977 37.666 1.00 30.67 N ATOM 467 CA ASP A 46 13.620 -8.784 38.182 1.00 29.78 C ATOM 468 C ASP A 46 13.531 -7.774 39.304 1.00 27.18 C ATOM 469 O ASP A 46 14.396 -7.711 40.167 1.00 26.70 O ATOM 470 CB ASP A 46 14.550 -8.248 37.092 1.00 32.77 C ATOM 471 CG ASP A 46 15.374 -9.337 36.442 1.00 37.25 C ATOM 472 OD1 ASP A 46 15.019 -10.523 36.636 1.00 39.32 O ATOM 473 OD2 ASP A 46 16.362 -9.013 35.726 1.00 40.29 O ATOM 474 HA ASP A 46 14.024 -9.735 38.530 1.00 0.00 H ATOM 475 HB2 ASP A 46 13.946 -7.762 36.325 1.00 0.00 H ATOM 476 HB3 ASP A 46 15.226 -7.518 37.537 1.00 0.00 H ATOM 477 H ASP A 46 11.862 -8.249 37.045 1.00 0.00 H ATOM 478 N THR A 47 12.462 -6.989 39.294 1.00 25.18 N ATOM 479 CA THR A 47 12.263 -5.974 40.311 1.00 23.65 C ATOM 480 C THR A 47 10.845 -6.054 40.875 1.00 22.92 C ATOM 481 O THR A 47 9.910 -6.466 40.186 1.00 19.94 O ATOM 482 CB THR A 47 12.529 -4.579 39.738 1.00 25.75 C ATOM 483 OG1 THR A 47 11.354 -4.090 39.085 1.00 30.12 O ATOM 484 CG2 THR A 47 13.657 -4.648 38.706 1.00 27.10 C ATOM 485 HA THR A 47 12.970 -6.156 41.120 1.00 0.00 H ATOM 486 HB THR A 47 12.808 -3.915 40.556 1.00 0.00 H ATOM 487 HG1 THR A 47 10.612 -4.040 39.738 1.00 0.00 H ATOM 488 HG23 THR A 47 14.563 -5.019 39.185 1.00 0.00 H ATOM 489 HG21 THR A 47 13.369 -5.322 37.899 1.00 0.00 H ATOM 490 HG22 THR A 47 13.840 -3.652 38.302 1.00 0.00 H ATOM 491 H THR A 47 11.753 -7.103 38.542 1.00 0.00 H ATOM 492 N TYR A 48 10.700 -5.659 42.136 1.00 21.07 N ATOM 493 CA TYR A 48 9.419 -5.734 42.824 1.00 20.51 C ATOM 494 C TYR A 48 9.322 -4.689 43.918 1.00 20.24 C ATOM 495 O TYR A 48 10.295 -4.007 44.224 1.00 21.44 O ATOM 496 CB TYR A 48 9.267 -7.099 43.502 1.00 19.53 C ATOM 497 CG TYR A 48 9.510 -8.308 42.628 1.00 20.16 C ATOM 498 CD1 TYR A 48 10.799 -8.729 42.313 1.00 20.43 C ATOM 499 CD2 TYR A 48 8.445 -9.040 42.127 1.00 21.81 C ATOM 500 CE1 TYR A 48 11.012 -9.854 41.510 1.00 21.23 C ATOM 501 CE2 TYR A 48 8.643 -10.158 41.334 1.00 21.54 C ATOM 502 CZ TYR A 48 9.925 -10.563 41.031 1.00 20.41 C ATOM 503 OH TYR A 48 10.110 -11.686 40.264 1.00 22.26 O ATOM 504 HA TYR A 48 8.644 -5.571 42.075 1.00 0.00 H ATOM 505 HB3 TYR A 48 8.250 -7.167 43.889 1.00 0.00 H ATOM 506 HB2 TYR A 48 9.974 -7.140 44.331 1.00 0.00 H ATOM 507 HD2 TYR A 48 7.427 -8.728 42.363 1.00 0.00 H ATOM 508 HE2 TYR A 48 7.788 -10.715 40.951 1.00 0.00 H ATOM 509 HE1 TYR A 48 12.026 -10.169 41.264 1.00 0.00 H ATOM 510 HD1 TYR A 48 11.655 -8.174 42.698 1.00 0.00 H ATOM 511 HH TYR A 48 11.079 -11.842 40.137 1.00 0.00 H ATOM 512 H TYR A 48 11.526 -5.285 42.646 1.00 0.00 H ATOM 513 N THR A 49 8.143 -4.588 44.524 1.00 17.90 N ATOM 514 CA THR A 49 7.945 -3.681 45.645 1.00 17.24 C ATOM 515 C THR A 49 8.275 -4.551 46.860 1.00 15.12 C ATOM 516 O THR A 49 8.235 -5.774 46.773 1.00 16.59 O ATOM 517 CB THR A 49 6.467 -3.212 45.762 1.00 19.08 C ATOM 518 OG1 THR A 49 5.635 -4.321 46.129 1.00 19.07 O ATOM 519 CG2 THR A 49 5.973 -2.633 44.434 1.00 16.90 C ATOM 520 HA THR A 49 8.551 -2.780 45.545 1.00 0.00 H ATOM 521 HB THR A 49 6.414 -2.437 46.526 1.00 0.00 H ATOM 522 HG1 THR A 49 5.702 -5.026 45.437 1.00 0.00 H ATOM 523 HG23 THR A 49 6.602 -1.789 44.150 1.00 0.00 H ATOM 524 HG21 THR A 49 6.024 -3.401 43.663 1.00 0.00 H ATOM 525 HG22 THR A 49 4.942 -2.297 44.547 1.00 0.00 H ATOM 526 H THR A 49 7.347 -5.168 44.191 1.00 0.00 H ATOM 527 N MET A 50 8.622 -3.938 47.983 1.00 16.53 N ATOM 528 CA MET A 50 8.908 -4.713 49.181 1.00 16.79 C ATOM 529 C MET A 50 7.704 -5.609 49.483 1.00 18.80 C ATOM 530 O MET A 50 7.855 -6.771 49.867 1.00 19.19 O ATOM 531 CB MET A 50 9.164 -3.791 50.367 1.00 19.67 C ATOM 532 CG MET A 50 10.577 -3.240 50.444 1.00 19.75 C ATOM 533 SD MET A 50 11.798 -4.564 50.588 1.00 23.52 S ATOM 534 CE MET A 50 11.779 -4.847 52.351 1.00 22.88 C ATOM 535 HA MET A 50 9.800 -5.317 49.014 1.00 0.00 H ATOM 536 HB2 MET A 50 8.474 -2.950 50.300 1.00 0.00 H ATOM 537 HB3 MET A 50 8.966 -4.350 51.282 1.00 0.00 H ATOM 538 HG2 MET A 50 10.656 -2.589 51.314 1.00 0.00 H ATOM 539 HG3 MET A 50 10.783 -2.665 49.541 1.00 0.00 H ATOM 540 HE1 MET A 50 12.065 -3.931 52.868 1.00 0.00 H ATOM 541 HE2 MET A 50 10.776 -5.142 52.660 1.00 0.00 H ATOM 542 HE3 MET A 50 12.485 -5.640 52.598 1.00 0.00 H ATOM 543 H MET A 50 8.690 -2.901 48.008 1.00 0.00 H ATOM 544 N LYS A 51 6.513 -5.050 49.286 1.00 17.56 N ATOM 545 CA LYS A 51 5.249 -5.738 49.513 1.00 19.48 C ATOM 546 C LYS A 51 5.148 -7.029 48.700 1.00 17.88 C ATOM 547 O LYS A 51 4.686 -8.059 49.198 1.00 16.76 O ATOM 548 CB LYS A 51 4.086 -4.812 49.139 1.00 22.67 C ATOM 549 CG LYS A 51 2.884 -4.947 50.048 1.00 27.90 C ATOM 550 CD LYS A 51 1.765 -3.966 49.687 1.00 31.70 C ATOM 551 CE LYS A 51 0.710 -3.893 50.789 1.00 34.24 C ATOM 552 NZ LYS A 51 0.363 -5.275 51.273 1.00 38.28 N ATOM 553 HA LYS A 51 5.200 -6.001 50.570 1.00 0.00 H ATOM 554 HB2 LYS A 51 4.438 -3.781 49.184 1.00 0.00 H ATOM 555 HB3 LYS A 51 3.775 -5.044 48.120 1.00 0.00 H ATOM 556 HG2 LYS A 51 2.498 -5.963 49.969 1.00 0.00 H ATOM 557 HG3 LYS A 51 3.198 -4.758 51.074 1.00 0.00 H ATOM 558 HD2 LYS A 51 2.195 -2.975 49.541 1.00 0.00 H ATOM 559 HD3 LYS A 51 1.290 -4.294 48.762 1.00 0.00 H ATOM 560 HE2 LYS A 51 -0.187 -3.413 50.397 1.00 0.00 H ATOM 561 HE3 LYS A 51 1.099 -3.307 51.622 1.00 0.00 H ATOM 562 HZ1 LYS A 51 -0.011 -5.835 50.480 1.00 0.00 H ATOM 563 HZ2 LYS A 51 1.217 -5.734 51.650 1.00 0.00 H ATOM 564 HZ3 LYS A 51 -0.355 -5.208 52.022 1.00 0.00 H ATOM 565 H LYS A 51 6.482 -4.066 48.951 1.00 0.00 H ATOM 566 N GLU A 52 5.578 -6.965 47.446 1.00 15.21 N ATOM 567 CA GLU A 52 5.528 -8.119 46.560 1.00 15.37 C ATOM 568 C GLU A 52 6.531 -9.195 46.977 1.00 14.10 C ATOM 569 O GLU A 52 6.227 -10.383 46.925 1.00 13.60 O ATOM 570 CB GLU A 52 5.814 -7.675 45.129 1.00 18.54 C ATOM 571 CG GLU A 52 4.872 -6.586 44.673 1.00 27.38 C ATOM 572 CD GLU A 52 5.232 -6.005 43.323 1.00 30.61 C ATOM 573 OE1 GLU A 52 6.326 -5.426 43.189 1.00 32.68 O ATOM 574 OE2 GLU A 52 4.407 -6.126 42.393 1.00 35.39 O ATOM 575 HA GLU A 52 4.529 -8.551 46.625 1.00 0.00 H ATOM 576 HB2 GLU A 52 6.836 -7.301 45.074 1.00 0.00 H ATOM 577 HB3 GLU A 52 5.706 -8.534 44.466 1.00 0.00 H ATOM 578 HG2 GLU A 52 3.866 -7.002 44.613 1.00 0.00 H ATOM 579 HG3 GLU A 52 4.889 -5.783 45.410 1.00 0.00 H ATOM 580 H GLU A 52 5.961 -6.067 47.087 1.00 0.00 H ATOM 581 N VAL A 53 7.726 -8.759 47.362 1.00 11.53 N ATOM 582 CA VAL A 53 8.787 -9.656 47.800 1.00 13.05 C ATOM 583 C VAL A 53 8.301 -10.479 48.995 1.00 12.29 C ATOM 584 O VAL A 53 8.372 -11.705 48.973 1.00 10.80 O ATOM 585 CB VAL A 53 10.074 -8.853 48.197 1.00 12.52 C ATOM 586 CG1 VAL A 53 11.045 -9.745 48.936 1.00 12.03 C ATOM 587 CG2 VAL A 53 10.750 -8.273 46.936 1.00 13.84 C ATOM 588 HA VAL A 53 9.041 -10.320 46.974 1.00 0.00 H ATOM 589 HB VAL A 53 9.781 -8.033 48.853 1.00 0.00 H ATOM 590 HG11 VAL A 53 10.570 -10.126 49.840 1.00 0.00 H ATOM 591 HG12 VAL A 53 11.330 -10.579 48.295 1.00 0.00 H ATOM 592 HG13 VAL A 53 11.932 -9.171 49.204 1.00 0.00 H ATOM 593 HG21 VAL A 53 11.029 -9.088 46.267 1.00 0.00 H ATOM 594 HG22 VAL A 53 10.055 -7.605 46.427 1.00 0.00 H ATOM 595 HG23 VAL A 53 11.642 -7.718 47.226 1.00 0.00 H ATOM 596 H VAL A 53 7.911 -7.736 47.350 1.00 0.00 H ATOM 597 N LEU A 54 7.802 -9.797 50.026 1.00 13.15 N ATOM 598 CA LEU A 54 7.309 -10.482 51.217 1.00 15.98 C ATOM 599 C LEU A 54 6.132 -11.386 50.867 1.00 14.47 C ATOM 600 O LEU A 54 6.007 -12.491 51.397 1.00 14.36 O ATOM 601 CB LEU A 54 6.909 -9.469 52.292 1.00 16.04 C ATOM 602 CG LEU A 54 8.078 -8.854 53.083 1.00 16.54 C ATOM 603 CD1 LEU A 54 8.745 -9.920 53.935 1.00 15.14 C ATOM 604 CD2 LEU A 54 9.089 -8.240 52.136 1.00 15.27 C ATOM 605 HA LEU A 54 8.112 -11.104 51.613 1.00 0.00 H ATOM 606 HB2 LEU A 54 6.367 -8.658 51.806 1.00 0.00 H ATOM 607 HB3 LEU A 54 6.250 -9.971 53.000 1.00 0.00 H ATOM 608 HG LEU A 54 7.688 -8.071 53.733 1.00 0.00 H ATOM 609 HD21 LEU A 54 9.476 -9.011 51.470 1.00 0.00 H ATOM 610 HD22 LEU A 54 8.607 -7.459 51.548 1.00 0.00 H ATOM 611 HD23 LEU A 54 9.909 -7.810 52.711 1.00 0.00 H ATOM 612 HD11 LEU A 54 8.017 -10.334 54.633 1.00 0.00 H ATOM 613 HD12 LEU A 54 9.124 -10.713 53.291 1.00 0.00 H ATOM 614 HD13 LEU A 54 9.571 -9.475 54.491 1.00 0.00 H ATOM 615 H LEU A 54 7.763 -8.759 49.981 1.00 0.00 H ATOM 616 N PHE A 55 5.281 -10.925 49.956 1.00 14.45 N ATOM 617 CA PHE A 55 4.142 -11.730 49.542 1.00 14.54 C ATOM 618 C PHE A 55 4.589 -13.085 49.005 1.00 13.79 C ATOM 619 O PHE A 55 3.999 -14.106 49.332 1.00 12.92 O ATOM 620 CB PHE A 55 3.334 -11.056 48.440 1.00 15.83 C ATOM 621 CG PHE A 55 2.207 -11.913 47.928 1.00 17.95 C ATOM 622 CD1 PHE A 55 0.960 -11.885 48.540 1.00 16.73 C ATOM 623 CD2 PHE A 55 2.416 -12.812 46.889 1.00 17.96 C ATOM 624 CE1 PHE A 55 -0.068 -12.730 48.116 1.00 18.99 C ATOM 625 CE2 PHE A 55 1.388 -13.662 46.458 1.00 20.60 C ATOM 626 CZ PHE A 55 0.146 -13.620 47.085 1.00 18.00 C ATOM 627 HA PHE A 55 3.527 -11.850 50.434 1.00 0.00 H ATOM 628 HB2 PHE A 55 2.915 -10.130 48.833 1.00 0.00 H ATOM 629 HB3 PHE A 55 4.002 -10.828 47.609 1.00 0.00 H ATOM 630 HD2 PHE A 55 3.391 -12.857 46.403 1.00 0.00 H ATOM 631 HE2 PHE A 55 1.561 -14.354 45.634 1.00 0.00 H ATOM 632 HZ PHE A 55 -0.653 -14.287 46.763 1.00 0.00 H ATOM 633 HE1 PHE A 55 -1.043 -12.686 48.602 1.00 0.00 H ATOM 634 HD1 PHE A 55 0.781 -11.193 49.363 1.00 0.00 H ATOM 635 H PHE A 55 5.430 -9.985 49.537 1.00 0.00 H ATOM 636 N TYR A 56 5.614 -13.083 48.157 1.00 11.66 N ATOM 637 CA TYR A 56 6.107 -14.329 47.582 1.00 13.62 C ATOM 638 C TYR A 56 6.848 -15.143 48.636 1.00 13.57 C ATOM 639 O TYR A 56 6.852 -16.370 48.583 1.00 11.64 O ATOM 640 CB TYR A 56 7.035 -14.062 46.391 1.00 13.72 C ATOM 641 CG TYR A 56 6.341 -13.631 45.107 1.00 16.29 C ATOM 642 CD1 TYR A 56 5.710 -14.564 44.272 1.00 17.42 C ATOM 643 CD2 TYR A 56 6.345 -12.293 44.710 1.00 18.05 C ATOM 644 CE1 TYR A 56 5.108 -14.172 43.075 1.00 16.16 C ATOM 645 CE2 TYR A 56 5.749 -11.893 43.521 1.00 16.02 C ATOM 646 CZ TYR A 56 5.135 -12.833 42.708 1.00 17.09 C ATOM 647 OH TYR A 56 4.577 -12.423 41.521 1.00 17.57 O ATOM 648 HA TYR A 56 5.245 -14.895 47.228 1.00 0.00 H ATOM 649 HB3 TYR A 56 7.588 -14.978 46.183 1.00 0.00 H ATOM 650 HB2 TYR A 56 7.732 -13.275 46.677 1.00 0.00 H ATOM 651 HD2 TYR A 56 6.825 -11.548 45.345 1.00 0.00 H ATOM 652 HE2 TYR A 56 5.764 -10.843 43.228 1.00 0.00 H ATOM 653 HE1 TYR A 56 4.622 -14.909 42.435 1.00 0.00 H ATOM 654 HD1 TYR A 56 5.689 -15.614 44.563 1.00 0.00 H ATOM 655 HH TYR A 56 5.278 -12.019 40.950 1.00 0.00 H ATOM 656 H TYR A 56 6.069 -12.183 47.901 1.00 0.00 H ATOM 657 N LEU A 57 7.470 -14.453 49.588 1.00 12.97 N ATOM 658 CA LEU A 57 8.196 -15.124 50.653 1.00 14.29 C ATOM 659 C LEU A 57 7.199 -15.950 51.457 1.00 14.85 C ATOM 660 O LEU A 57 7.437 -17.115 51.754 1.00 11.93 O ATOM 661 CB LEU A 57 8.883 -14.100 51.565 1.00 15.71 C ATOM 662 CG LEU A 57 9.848 -14.696 52.583 1.00 16.48 C ATOM 663 CD1 LEU A 57 10.982 -15.380 51.841 1.00 17.70 C ATOM 664 CD2 LEU A 57 10.394 -13.602 53.502 1.00 18.60 C ATOM 665 HA LEU A 57 8.967 -15.766 50.228 1.00 0.00 H ATOM 666 HB2 LEU A 57 9.440 -13.405 50.936 1.00 0.00 H ATOM 667 HB3 LEU A 57 8.110 -13.557 52.108 1.00 0.00 H ATOM 668 HG LEU A 57 9.324 -15.425 53.201 1.00 0.00 H ATOM 669 HD21 LEU A 57 10.921 -12.857 52.905 1.00 0.00 H ATOM 670 HD22 LEU A 57 9.567 -13.127 54.030 1.00 0.00 H ATOM 671 HD23 LEU A 57 11.081 -14.044 54.223 1.00 0.00 H ATOM 672 HD11 LEU A 57 10.577 -16.170 51.209 1.00 0.00 H ATOM 673 HD12 LEU A 57 11.502 -14.649 51.222 1.00 0.00 H ATOM 674 HD13 LEU A 57 11.678 -15.810 52.561 1.00 0.00 H ATOM 675 H LEU A 57 7.436 -13.414 49.570 1.00 0.00 H ATOM 676 N GLY A 58 6.069 -15.335 51.785 1.00 14.58 N ATOM 677 CA GLY A 58 5.044 -16.032 52.536 1.00 17.14 C ATOM 678 C GLY A 58 4.484 -17.206 51.758 1.00 17.49 C ATOM 679 O GLY A 58 4.210 -18.259 52.338 1.00 20.50 O ATOM 680 HA3 GLY A 58 4.235 -15.337 52.760 1.00 0.00 H ATOM 681 HA2 GLY A 58 5.475 -16.398 53.468 1.00 0.00 H ATOM 682 H GLY A 58 5.918 -14.346 51.501 1.00 0.00 H ATOM 683 N GLN A 59 4.315 -17.041 50.448 1.00 16.96 N ATOM 684 CA GLN A 59 3.779 -18.118 49.616 1.00 18.00 C ATOM 685 C GLN A 59 4.679 -19.353 49.680 1.00 18.73 C ATOM 686 O GLN A 59 4.201 -20.482 49.698 1.00 18.28 O ATOM 687 CB GLN A 59 3.631 -17.650 48.170 1.00 17.61 C ATOM 688 CG GLN A 59 3.186 -18.725 47.177 1.00 19.65 C ATOM 689 CD GLN A 59 1.742 -19.183 47.367 1.00 20.90 C ATOM 690 OE1 GLN A 59 0.937 -18.508 48.009 1.00 19.59 O ATOM 691 NE2 GLN A 59 1.409 -20.328 46.785 1.00 22.41 N ATOM 692 HA GLN A 59 2.796 -18.388 50.001 1.00 0.00 H ATOM 693 HB2 GLN A 59 2.895 -16.847 48.150 1.00 0.00 H ATOM 694 HB3 GLN A 59 4.596 -17.265 47.840 1.00 0.00 H ATOM 695 HG2 GLN A 59 3.290 -18.325 46.168 1.00 0.00 H ATOM 696 HG3 GLN A 59 3.839 -19.590 47.292 1.00 0.00 H ATOM 697 HE22 GLN A 59 2.121 -20.867 46.252 1.00 0.00 H ATOM 698 HE21 GLN A 59 0.436 -20.687 46.862 1.00 0.00 H ATOM 699 H GLN A 59 4.568 -16.133 50.009 1.00 0.00 H ATOM 700 N TYR A 60 5.985 -19.126 49.712 1.00 18.74 N ATOM 701 CA TYR A 60 6.954 -20.210 49.806 1.00 18.55 C ATOM 702 C TYR A 60 6.734 -20.904 51.143 1.00 16.94 C ATOM 703 O TYR A 60 6.594 -22.113 51.215 1.00 15.70 O ATOM 704 CB TYR A 60 8.376 -19.645 49.767 1.00 18.35 C ATOM 705 CG TYR A 60 9.455 -20.692 49.891 1.00 19.85 C ATOM 706 CD1 TYR A 60 9.691 -21.601 48.859 1.00 19.02 C ATOM 707 CD2 TYR A 60 10.246 -20.782 51.040 1.00 20.80 C ATOM 708 CE1 TYR A 60 10.683 -22.572 48.959 1.00 18.62 C ATOM 709 CE2 TYR A 60 11.247 -21.754 51.149 1.00 20.28 C ATOM 710 CZ TYR A 60 11.456 -22.645 50.102 1.00 20.41 C ATOM 711 OH TYR A 60 12.430 -23.618 50.194 1.00 23.78 O ATOM 712 HA TYR A 60 6.828 -20.903 48.974 1.00 0.00 H ATOM 713 HB3 TYR A 60 8.487 -18.938 50.589 1.00 0.00 H ATOM 714 HB2 TYR A 60 8.512 -19.123 48.820 1.00 0.00 H ATOM 715 HD2 TYR A 60 10.081 -20.086 51.862 1.00 0.00 H ATOM 716 HE2 TYR A 60 11.859 -21.812 52.049 1.00 0.00 H ATOM 717 HE1 TYR A 60 10.849 -23.271 48.140 1.00 0.00 H ATOM 718 HD1 TYR A 60 9.085 -21.549 47.954 1.00 0.00 H ATOM 719 HH TYR A 60 12.437 -24.156 49.363 1.00 0.00 H ATOM 720 H TYR A 60 6.328 -18.145 49.669 1.00 0.00 H ATOM 721 N ILE A 61 6.710 -20.093 52.194 1.00 18.02 N ATOM 722 CA ILE A 61 6.512 -20.541 53.562 1.00 19.22 C ATOM 723 C ILE A 61 5.256 -21.405 53.719 1.00 20.73 C ATOM 724 O ILE A 61 5.291 -22.461 54.343 1.00 18.66 O ATOM 725 CB ILE A 61 6.400 -19.324 54.505 1.00 20.43 C ATOM 726 CG1 ILE A 61 7.717 -18.541 54.490 1.00 22.73 C ATOM 727 CG2 ILE A 61 6.031 -19.783 55.913 1.00 21.53 C ATOM 728 CD1 ILE A 61 7.643 -17.187 55.155 1.00 22.28 C ATOM 729 HA ILE A 61 7.377 -21.151 53.823 1.00 0.00 H ATOM 730 HB ILE A 61 5.608 -18.660 54.159 1.00 0.00 H ATOM 731 HG12 ILE A 61 8.473 -19.134 55.005 1.00 0.00 H ATOM 732 HG13 ILE A 61 8.016 -18.396 53.452 1.00 0.00 H ATOM 733 HD11 ILE A 61 6.901 -16.573 54.645 1.00 0.00 H ATOM 734 HD12 ILE A 61 7.357 -17.312 56.200 1.00 0.00 H ATOM 735 HD13 ILE A 61 8.618 -16.702 55.099 1.00 0.00 H ATOM 736 HG21 ILE A 61 5.074 -20.304 55.885 1.00 0.00 H ATOM 737 HG22 ILE A 61 6.802 -20.457 56.288 1.00 0.00 H ATOM 738 HG23 ILE A 61 5.955 -18.915 56.568 1.00 0.00 H ATOM 739 H ILE A 61 6.841 -19.075 52.028 1.00 0.00 H ATOM 740 N MET A 62 4.148 -20.941 53.161 1.00 21.71 N ATOM 741 CA MET A 62 2.903 -21.680 53.251 1.00 23.75 C ATOM 742 C MET A 62 2.966 -22.957 52.443 1.00 24.64 C ATOM 743 O MET A 62 2.545 -24.016 52.909 1.00 24.53 O ATOM 744 CB MET A 62 1.727 -20.829 52.770 1.00 25.45 C ATOM 745 CG MET A 62 1.413 -19.693 53.696 1.00 28.25 C ATOM 746 SD MET A 62 1.362 -20.306 55.381 1.00 34.79 S ATOM 747 CE MET A 62 0.419 -19.151 56.125 1.00 35.01 C ATOM 748 HA MET A 62 2.752 -21.935 54.300 1.00 0.00 H ATOM 749 HB2 MET A 62 1.970 -20.421 51.789 1.00 0.00 H ATOM 750 HB3 MET A 62 0.846 -21.466 52.689 1.00 0.00 H ATOM 751 HG2 MET A 62 0.446 -19.265 53.434 1.00 0.00 H ATOM 752 HG3 MET A 62 2.184 -18.927 53.609 1.00 0.00 H ATOM 753 HE1 MET A 62 0.900 -18.177 56.034 1.00 0.00 H ATOM 754 HE2 MET A 62 -0.560 -19.120 55.647 1.00 0.00 H ATOM 755 HE3 MET A 62 0.302 -19.403 57.179 1.00 0.00 H ATOM 756 H MET A 62 4.171 -20.035 52.651 1.00 0.00 H ATOM 757 N THR A 63 3.514 -22.878 51.240 1.00 25.89 N ATOM 758 CA THR A 63 3.568 -24.071 50.418 1.00 28.46 C ATOM 759 C THR A 63 4.521 -25.119 50.979 1.00 29.25 C ATOM 760 O THR A 63 4.342 -26.310 50.738 1.00 28.91 O ATOM 761 CB THR A 63 3.945 -23.748 48.952 1.00 30.02 C ATOM 762 OG1 THR A 63 5.255 -23.170 48.896 1.00 32.43 O ATOM 763 CG2 THR A 63 2.931 -22.783 48.343 1.00 28.87 C ATOM 764 HA THR A 63 2.561 -24.487 50.432 1.00 0.00 H ATOM 765 HB THR A 63 3.938 -24.676 48.380 1.00 0.00 H ATOM 766 HG1 THR A 63 5.269 -22.335 49.427 1.00 0.00 H ATOM 767 HG23 THR A 63 1.937 -23.227 48.388 1.00 0.00 H ATOM 768 HG21 THR A 63 2.939 -21.848 48.904 1.00 0.00 H ATOM 769 HG22 THR A 63 3.196 -22.587 47.304 1.00 0.00 H ATOM 770 H THR A 63 3.899 -21.977 50.891 1.00 0.00 H ATOM 771 N LYS A 64 5.527 -24.687 51.732 1.00 28.92 N ATOM 772 CA LYS A 64 6.467 -25.638 52.310 1.00 29.38 C ATOM 773 C LYS A 64 6.144 -25.867 53.779 1.00 28.80 C ATOM 774 O LYS A 64 6.851 -26.587 54.482 1.00 29.77 O ATOM 775 CB LYS A 64 7.906 -25.145 52.147 1.00 30.17 C ATOM 776 CG LYS A 64 8.355 -25.018 50.694 1.00 32.99 C ATOM 777 CD LYS A 64 8.222 -26.340 49.951 1.00 37.21 C ATOM 778 CE LYS A 64 8.833 -26.262 48.553 1.00 36.74 C ATOM 779 NZ LYS A 64 8.771 -27.578 47.853 1.00 39.08 N ATOM 780 HA LYS A 64 6.372 -26.585 51.779 1.00 0.00 H ATOM 781 HB2 LYS A 64 7.989 -24.166 52.619 1.00 0.00 H ATOM 782 HB3 LYS A 64 8.569 -25.848 52.651 1.00 0.00 H ATOM 783 HG2 LYS A 64 7.739 -24.269 50.197 1.00 0.00 H ATOM 784 HG3 LYS A 64 9.398 -24.702 50.672 1.00 0.00 H ATOM 785 HD2 LYS A 64 8.733 -27.118 50.518 1.00 0.00 H ATOM 786 HD3 LYS A 64 7.165 -26.592 49.862 1.00 0.00 H ATOM 787 HE2 LYS A 64 9.875 -25.955 48.639 1.00 0.00 H ATOM 788 HE3 LYS A 64 8.285 -25.523 47.968 1.00 0.00 H ATOM 789 HZ1 LYS A 64 9.297 -28.287 48.403 1.00 0.00 H ATOM 790 HZ2 LYS A 64 7.778 -27.875 47.762 1.00 0.00 H ATOM 791 HZ3 LYS A 64 9.195 -27.487 46.908 1.00 0.00 H ATOM 792 H LYS A 64 5.643 -23.669 51.909 1.00 0.00 H ATOM 793 N ARG A 65 5.056 -25.260 54.237 1.00 27.65 N ATOM 794 CA ARG A 65 4.648 -25.412 55.618 1.00 27.20 C ATOM 795 C ARG A 65 5.811 -25.117 56.571 1.00 26.05 C ATOM 796 O ARG A 65 5.992 -25.828 57.557 1.00 25.75 O ATOM 797 CB ARG A 65 4.150 -26.839 55.846 1.00 27.61 C ATOM 798 CG ARG A 65 2.864 -27.186 55.103 1.00 34.39 C ATOM 799 CD ARG A 65 2.641 -28.697 55.048 1.00 37.26 C ATOM 800 NE ARG A 65 1.313 -29.043 54.549 1.00 40.82 N ATOM 801 CZ ARG A 65 0.982 -30.234 54.053 1.00 44.24 C ATOM 802 NH1 ARG A 65 1.891 -31.205 53.978 1.00 46.23 N ATOM 803 NH2 ARG A 65 -0.265 -30.466 53.651 1.00 44.93 N ATOM 804 HA ARG A 65 3.848 -24.700 55.822 1.00 0.00 H ATOM 805 HB2 ARG A 65 4.929 -27.528 55.519 1.00 0.00 H ATOM 806 HB3 ARG A 65 3.973 -26.972 56.913 1.00 0.00 H ATOM 807 HG2 ARG A 65 2.022 -26.721 55.616 1.00 0.00 H ATOM 808 HG3 ARG A 65 2.927 -26.799 54.086 1.00 0.00 H ATOM 809 HD2 ARG A 65 2.756 -29.105 56.052 1.00 0.00 H ATOM 810 HD3 ARG A 65 3.389 -29.138 54.390 1.00 0.00 H ATOM 811 HE ARG A 65 0.576 -28.310 54.583 1.00 0.00 H ATOM 812 HH12 ARG A 65 1.629 -32.134 53.590 1.00 0.00 H ATOM 813 HH11 ARG A 65 2.863 -31.034 54.307 1.00 0.00 H ATOM 814 HH22 ARG A 65 -0.522 -31.396 53.264 1.00 0.00 H ATOM 815 HH21 ARG A 65 -0.983 -29.717 53.724 1.00 0.00 H ATOM 816 H ARG A 65 4.490 -24.668 53.596 1.00 0.00 H ATOM 817 N LEU A 66 6.607 -24.091 56.278 1.00 22.72 N ATOM 818 CA LEU A 66 7.730 -23.742 57.155 1.00 22.64 C ATOM 819 C LEU A 66 7.208 -22.899 58.315 1.00 21.82 C ATOM 820 O LEU A 66 7.452 -21.689 58.396 1.00 22.70 O ATOM 821 CB LEU A 66 8.804 -22.959 56.393 1.00 19.96 C ATOM 822 CG LEU A 66 9.409 -23.609 55.143 1.00 18.41 C ATOM 823 CD1 LEU A 66 10.521 -22.726 54.609 1.00 17.65 C ATOM 824 CD2 LEU A 66 9.938 -25.002 55.479 1.00 17.83 C ATOM 825 HA LEU A 66 8.182 -24.661 57.528 1.00 0.00 H ATOM 826 HB2 LEU A 66 8.360 -22.012 56.085 1.00 0.00 H ATOM 827 HB3 LEU A 66 9.621 -22.767 57.088 1.00 0.00 H ATOM 828 HG LEU A 66 8.641 -23.714 54.377 1.00 0.00 H ATOM 829 HD21 LEU A 66 10.706 -24.922 56.248 1.00 0.00 H ATOM 830 HD22 LEU A 66 9.119 -25.622 55.844 1.00 0.00 H ATOM 831 HD23 LEU A 66 10.365 -25.453 54.583 1.00 0.00 H ATOM 832 HD11 LEU A 66 10.115 -21.748 54.353 1.00 0.00 H ATOM 833 HD12 LEU A 66 11.291 -22.613 55.372 1.00 0.00 H ATOM 834 HD13 LEU A 66 10.953 -23.186 53.720 1.00 0.00 H ATOM 835 H LEU A 66 6.431 -23.532 55.419 1.00 0.00 H ATOM 836 N TYR A 67 6.484 -23.546 59.219 1.00 21.86 N ATOM 837 CA TYR A 67 5.909 -22.843 60.356 1.00 22.11 C ATOM 838 C TYR A 67 5.556 -23.748 61.543 1.00 23.12 C ATOM 839 O TYR A 67 5.478 -24.973 61.403 1.00 19.22 O ATOM 840 CB TYR A 67 4.672 -22.067 59.890 1.00 22.96 C ATOM 841 CG TYR A 67 3.670 -22.871 59.078 1.00 25.35 C ATOM 842 CD1 TYR A 67 3.004 -23.972 59.632 1.00 24.98 C ATOM 843 CD2 TYR A 67 3.361 -22.507 57.764 1.00 24.85 C ATOM 844 CE1 TYR A 67 2.055 -24.684 58.894 1.00 25.54 C ATOM 845 CE2 TYR A 67 2.415 -23.211 57.020 1.00 25.27 C ATOM 846 CZ TYR A 67 1.767 -24.297 57.590 1.00 26.65 C ATOM 847 OH TYR A 67 0.838 -24.991 56.859 1.00 26.35 O ATOM 848 HA TYR A 67 6.677 -22.165 60.729 1.00 0.00 H ATOM 849 HB3 TYR A 67 5.009 -21.231 59.277 1.00 0.00 H ATOM 850 HB2 TYR A 67 4.161 -21.685 60.774 1.00 0.00 H ATOM 851 HD2 TYR A 67 3.870 -21.656 57.312 1.00 0.00 H ATOM 852 HE2 TYR A 67 2.186 -22.910 55.998 1.00 0.00 H ATOM 853 HE1 TYR A 67 1.543 -25.538 59.338 1.00 0.00 H ATOM 854 HD1 TYR A 67 3.229 -24.278 60.654 1.00 0.00 H ATOM 855 HH TYR A 67 0.473 -25.730 57.408 1.00 0.00 H ATOM 856 H TYR A 67 6.325 -24.568 59.114 1.00 0.00 H ATOM 857 N ASP A 68 5.363 -23.133 62.709 1.00 22.08 N ATOM 858 CA ASP A 68 5.007 -23.873 63.919 1.00 28.27 C ATOM 859 C ASP A 68 3.525 -24.243 63.868 1.00 29.10 C ATOM 860 O ASP A 68 2.792 -23.726 63.035 1.00 28.71 O ATOM 861 CB ASP A 68 5.330 -23.055 65.179 1.00 28.15 C ATOM 862 CG ASP A 68 4.504 -21.789 65.298 1.00 31.14 C ATOM 863 OD1 ASP A 68 3.906 -21.340 64.302 1.00 32.23 O ATOM 864 OD2 ASP A 68 4.465 -21.226 66.405 1.00 32.99 O ATOM 865 HA ASP A 68 5.599 -24.787 63.966 1.00 0.00 H ATOM 866 HB2 ASP A 68 5.140 -23.677 66.054 1.00 0.00 H ATOM 867 HB3 ASP A 68 6.384 -22.780 65.153 1.00 0.00 H ATOM 868 H ASP A 68 5.468 -22.100 62.760 1.00 0.00 H ATOM 869 N GLU A 69 3.083 -25.134 64.756 1.00 33.77 N ATOM 870 CA GLU A 69 1.688 -25.595 64.741 1.00 35.01 C ATOM 871 C GLU A 69 0.649 -24.513 64.543 1.00 35.78 C ATOM 872 O GLU A 69 -0.171 -24.613 63.628 1.00 37.94 O ATOM 873 CB GLU A 69 1.337 -26.380 66.010 1.00 37.58 C ATOM 874 CG GLU A 69 2.235 -27.585 66.254 1.00 40.43 C ATOM 875 CD GLU A 69 3.566 -27.177 66.815 1.00 42.40 C ATOM 876 OE1 GLU A 69 3.571 -26.667 67.959 1.00 44.14 O ATOM 877 OE2 GLU A 69 4.592 -27.354 66.117 1.00 42.59 O ATOM 878 HA GLU A 69 1.646 -26.238 63.862 1.00 0.00 H ATOM 879 HB2 GLU A 69 1.422 -25.709 66.865 1.00 0.00 H ATOM 880 HB3 GLU A 69 0.308 -26.729 65.925 1.00 0.00 H ATOM 881 HG2 GLU A 69 1.744 -28.256 66.959 1.00 0.00 H ATOM 882 HG3 GLU A 69 2.393 -28.106 65.310 1.00 0.00 H ATOM 883 H GLU A 69 3.737 -25.509 65.472 1.00 0.00 H ATOM 884 N LYS A 70 0.665 -23.486 65.392 1.00 35.33 N ATOM 885 CA LYS A 70 -0.319 -22.407 65.281 1.00 34.97 C ATOM 886 C LYS A 70 0.056 -21.295 64.300 1.00 33.44 C ATOM 887 O LYS A 70 -0.468 -20.181 64.395 1.00 32.66 O ATOM 888 CB LYS A 70 -0.620 -21.758 66.650 1.00 36.54 C ATOM 889 CG LYS A 70 -1.812 -22.355 67.415 1.00 37.81 C ATOM 890 CD LYS A 70 -2.200 -21.553 68.680 1.00 39.80 C ATOM 891 CE LYS A 70 -3.317 -20.533 68.445 1.00 40.68 C ATOM 892 NZ LYS A 70 -3.636 -19.777 69.707 1.00 44.24 N ATOM 893 HA LYS A 70 -1.203 -22.909 64.888 1.00 0.00 H ATOM 894 HB2 LYS A 70 0.267 -21.863 67.274 1.00 0.00 H ATOM 895 HB3 LYS A 70 -0.823 -20.700 66.484 1.00 0.00 H ATOM 896 HG2 LYS A 70 -2.672 -22.382 66.746 1.00 0.00 H ATOM 897 HG3 LYS A 70 -1.555 -23.371 67.716 1.00 0.00 H ATOM 898 HD2 LYS A 70 -2.531 -22.256 69.445 1.00 0.00 H ATOM 899 HD3 LYS A 70 -1.317 -21.021 69.034 1.00 0.00 H ATOM 900 HE2 LYS A 70 -4.212 -21.056 68.107 1.00 0.00 H ATOM 901 HE3 LYS A 70 -2.999 -19.827 67.678 1.00 0.00 H ATOM 902 HZ1 LYS A 70 -3.945 -20.445 70.441 1.00 0.00 H ATOM 903 HZ2 LYS A 70 -2.787 -19.272 70.031 1.00 0.00 H ATOM 904 HZ3 LYS A 70 -4.396 -19.093 69.517 1.00 0.00 H ATOM 905 H LYS A 70 1.385 -23.450 66.142 1.00 0.00 H ATOM 906 N GLN A 71 0.958 -21.590 63.367 1.00 32.07 N ATOM 907 CA GLN A 71 1.358 -20.620 62.351 1.00 31.73 C ATOM 908 C GLN A 71 1.723 -19.273 62.958 1.00 31.42 C ATOM 909 O GLN A 71 1.473 -18.232 62.362 1.00 30.80 O ATOM 910 CB GLN A 71 0.224 -20.422 61.333 1.00 30.49 C ATOM 911 CG GLN A 71 -0.269 -21.709 60.675 1.00 34.59 C ATOM 912 CD GLN A 71 -1.085 -21.475 59.396 1.00 36.53 C ATOM 913 OE1 GLN A 71 -1.326 -22.409 58.614 1.00 38.02 O ATOM 914 NE2 GLN A 71 -1.506 -20.234 59.180 1.00 36.44 N ATOM 915 HA GLN A 71 2.243 -21.021 61.856 1.00 0.00 H ATOM 916 HB2 GLN A 71 -0.618 -19.958 61.847 1.00 0.00 H ATOM 917 HB3 GLN A 71 0.582 -19.754 60.549 1.00 0.00 H ATOM 918 HG2 GLN A 71 0.597 -22.321 60.424 1.00 0.00 H ATOM 919 HG3 GLN A 71 -0.895 -22.243 61.390 1.00 0.00 H ATOM 920 HE22 GLN A 71 -1.281 -19.482 59.862 1.00 0.00 H ATOM 921 HE21 GLN A 71 -2.061 -20.014 58.328 1.00 0.00 H ATOM 922 H GLN A 71 1.389 -22.536 63.361 1.00 0.00 H ATOM 923 N GLN A 72 2.340 -19.309 64.135 1.00 32.68 N ATOM 924 CA GLN A 72 2.756 -18.104 64.838 1.00 32.77 C ATOM 925 C GLN A 72 4.241 -17.815 64.649 1.00 32.62 C ATOM 926 O GLN A 72 4.703 -16.683 64.873 1.00 32.27 O ATOM 927 CB GLN A 72 2.459 -18.255 66.328 1.00 36.41 C ATOM 928 CG GLN A 72 0.977 -18.268 66.695 1.00 37.98 C ATOM 929 CD GLN A 72 0.733 -18.457 68.195 1.00 40.59 C ATOM 930 OE1 GLN A 72 -0.337 -18.099 68.705 1.00 41.32 O ATOM 931 NE2 GLN A 72 1.709 -19.045 68.900 1.00 40.34 N ATOM 932 HA GLN A 72 2.196 -17.268 64.419 1.00 0.00 H ATOM 933 HB2 GLN A 72 2.899 -19.193 66.667 1.00 0.00 H ATOM 934 HB3 GLN A 72 2.930 -17.423 66.852 1.00 0.00 H ATOM 935 HG2 GLN A 72 0.535 -17.320 66.388 1.00 0.00 H ATOM 936 HG3 GLN A 72 0.493 -19.084 66.159 1.00 0.00 H ATOM 937 HE22 GLN A 72 2.592 -19.329 68.429 1.00 0.00 H ATOM 938 HE21 GLN A 72 1.584 -19.217 69.918 1.00 0.00 H ATOM 939 H GLN A 72 2.533 -20.234 64.570 1.00 0.00 H ATOM 940 N HIS A 73 4.983 -18.841 64.241 1.00 30.42 N ATOM 941 CA HIS A 73 6.413 -18.697 64.022 1.00 27.90 C ATOM 942 C HIS A 73 6.901 -19.414 62.769 1.00 24.69 C ATOM 943 O HIS A 73 6.467 -20.516 62.447 1.00 25.26 O ATOM 944 CB HIS A 73 7.205 -19.229 65.214 1.00 30.86 C ATOM 945 CG HIS A 73 6.964 -18.476 66.483 1.00 33.30 C ATOM 946 ND1 HIS A 73 6.001 -18.845 67.386 1.00 34.55 N ATOM 947 CD2 HIS A 73 7.527 -17.337 66.957 1.00 34.42 C ATOM 948 CE1 HIS A 73 5.971 -17.959 68.374 1.00 34.92 C ATOM 949 NE2 HIS A 73 6.883 -17.039 68.133 1.00 35.16 N ATOM 950 HA HIS A 73 6.582 -17.628 63.895 1.00 0.00 H ATOM 951 HB2 HIS A 73 6.927 -20.271 65.374 1.00 0.00 H ATOM 952 HB3 HIS A 73 8.267 -19.170 64.975 1.00 0.00 H ATOM 953 HD2 HIS A 73 8.334 -16.768 66.495 1.00 0.00 H ATOM 954 HE1 HIS A 73 5.306 -17.988 69.237 1.00 0.00 H ATOM 955 H HIS A 73 4.532 -19.763 64.076 1.00 0.00 H ATOM 956 N ILE A 74 7.814 -18.774 62.064 1.00 22.40 N ATOM 957 CA ILE A 74 8.364 -19.356 60.871 1.00 18.72 C ATOM 958 C ILE A 74 9.468 -20.317 61.298 1.00 18.53 C ATOM 959 O ILE A 74 10.356 -19.943 62.056 1.00 17.48 O ATOM 960 CB ILE A 74 8.927 -18.253 59.930 1.00 19.78 C ATOM 961 CG1 ILE A 74 7.786 -17.631 59.128 1.00 21.42 C ATOM 962 CG2 ILE A 74 9.949 -18.839 58.968 1.00 18.53 C ATOM 963 CD1 ILE A 74 7.010 -16.595 59.854 1.00 25.88 C ATOM 964 HA ILE A 74 7.591 -19.888 60.316 1.00 0.00 H ATOM 965 HB ILE A 74 9.411 -17.492 60.542 1.00 0.00 H ATOM 966 HG12 ILE A 74 8.209 -17.174 58.234 1.00 0.00 H ATOM 967 HG13 ILE A 74 7.101 -18.428 58.838 1.00 0.00 H ATOM 968 HD11 ILE A 74 6.565 -17.035 60.747 1.00 0.00 H ATOM 969 HD12 ILE A 74 7.674 -15.780 60.142 1.00 0.00 H ATOM 970 HD13 ILE A 74 6.222 -16.212 59.205 1.00 0.00 H ATOM 971 HG21 ILE A 74 10.772 -19.274 59.535 1.00 0.00 H ATOM 972 HG22 ILE A 74 9.475 -19.612 58.363 1.00 0.00 H ATOM 973 HG23 ILE A 74 10.330 -18.050 58.319 1.00 0.00 H ATOM 974 H ILE A 74 8.140 -17.837 62.376 1.00 0.00 H ATOM 975 N VAL A 75 9.403 -21.556 60.812 1.00 15.69 N ATOM 976 CA VAL A 75 10.409 -22.576 61.115 1.00 17.77 C ATOM 977 C VAL A 75 10.945 -23.203 59.848 1.00 17.25 C ATOM 978 O VAL A 75 10.232 -23.907 59.162 1.00 17.47 O ATOM 979 CB VAL A 75 9.830 -23.700 61.992 1.00 19.42 C ATOM 980 CG1 VAL A 75 10.942 -24.679 62.373 1.00 20.90 C ATOM 981 CG2 VAL A 75 9.183 -23.137 63.244 1.00 18.78 C ATOM 982 HA VAL A 75 11.210 -22.069 61.652 1.00 0.00 H ATOM 983 HB VAL A 75 9.063 -24.223 61.421 1.00 0.00 H ATOM 984 HG11 VAL A 75 11.371 -25.110 61.468 1.00 0.00 H ATOM 985 HG12 VAL A 75 11.717 -24.149 62.927 1.00 0.00 H ATOM 986 HG13 VAL A 75 10.528 -25.473 62.994 1.00 0.00 H ATOM 987 HG21 VAL A 75 9.928 -22.591 63.823 1.00 0.00 H ATOM 988 HG22 VAL A 75 8.375 -22.462 62.962 1.00 0.00 H ATOM 989 HG23 VAL A 75 8.783 -23.955 63.844 1.00 0.00 H ATOM 990 H VAL A 75 8.606 -21.809 60.193 1.00 0.00 H ATOM 991 N TYR A 76 12.201 -22.934 59.529 1.00 17.44 N ATOM 992 CA TYR A 76 12.759 -23.498 58.313 1.00 19.64 C ATOM 993 C TYR A 76 13.939 -24.425 58.597 1.00 22.95 C ATOM 994 O TYR A 76 14.458 -24.461 59.719 1.00 25.36 O ATOM 995 CB TYR A 76 13.211 -22.396 57.361 1.00 17.31 C ATOM 996 CG TYR A 76 14.228 -21.478 57.969 1.00 13.26 C ATOM 997 CD1 TYR A 76 13.846 -20.460 58.840 1.00 15.19 C ATOM 998 CD2 TYR A 76 15.579 -21.629 57.681 1.00 15.93 C ATOM 999 CE1 TYR A 76 14.793 -19.605 59.408 1.00 16.76 C ATOM 1000 CE2 TYR A 76 16.532 -20.781 58.241 1.00 18.03 C ATOM 1001 CZ TYR A 76 16.128 -19.774 59.102 1.00 18.08 C ATOM 1002 OH TYR A 76 17.046 -18.918 59.646 1.00 21.68 O ATOM 1003 HA TYR A 76 11.964 -24.083 57.850 1.00 0.00 H ATOM 1004 HB3 TYR A 76 12.340 -21.808 57.072 1.00 0.00 H ATOM 1005 HB2 TYR A 76 13.646 -22.859 56.475 1.00 0.00 H ATOM 1006 HD2 TYR A 76 15.898 -22.423 57.006 1.00 0.00 H ATOM 1007 HE2 TYR A 76 17.588 -20.909 58.003 1.00 0.00 H ATOM 1008 HE1 TYR A 76 14.481 -18.811 60.087 1.00 0.00 H ATOM 1009 HD1 TYR A 76 12.791 -20.329 59.082 1.00 0.00 H ATOM 1010 HH TYR A 76 16.583 -18.268 60.232 1.00 0.00 H ATOM 1011 H TYR A 76 12.781 -22.326 60.142 1.00 0.00 H ATOM 1012 N CYS A 77 14.373 -25.150 57.567 1.00 23.32 N ATOM 1013 CA CYS A 77 15.476 -26.100 57.697 1.00 26.47 C ATOM 1014 C CYS A 77 16.699 -25.775 56.848 1.00 25.31 C ATOM 1015 O CYS A 77 16.649 -24.937 55.952 1.00 24.36 O ATOM 1016 CB CYS A 77 14.987 -27.497 57.342 1.00 27.56 C ATOM 1017 SG CYS A 77 13.673 -28.089 58.379 1.00 38.67 S ATOM 1018 HA CYS A 77 15.799 -26.036 58.736 1.00 0.00 H ATOM 1019 HB2 CYS A 77 15.827 -28.186 57.426 1.00 0.00 H ATOM 1020 HB3 CYS A 77 14.631 -27.484 56.312 1.00 0.00 H ATOM 1021 HG CYS A 77 13.306 -29.356 57.975 1.00 0.00 H ATOM 1022 H CYS A 77 13.912 -25.036 56.641 1.00 0.00 H ATOM 1023 N SER A 78 17.797 -26.461 57.147 1.00 25.53 N ATOM 1024 CA SER A 78 19.056 -26.270 56.433 1.00 25.75 C ATOM 1025 C SER A 78 18.927 -26.733 54.998 1.00 26.05 C ATOM 1026 O SER A 78 19.744 -26.388 54.147 1.00 26.87 O ATOM 1027 CB SER A 78 20.193 -27.058 57.107 1.00 24.23 C ATOM 1028 OG SER A 78 20.012 -28.452 56.995 1.00 22.66 O ATOM 1029 HA SER A 78 19.290 -25.206 56.457 1.00 0.00 H ATOM 1030 HB2 SER A 78 20.227 -26.792 58.163 1.00 0.00 H ATOM 1031 HB3 SER A 78 21.137 -26.787 56.634 1.00 0.00 H ATOM 1032 HG SER A 78 20.763 -28.918 57.441 1.00 0.00 H ATOM 1033 H SER A 78 17.758 -27.159 57.917 1.00 0.00 H ATOM 1034 N ASN A 79 17.889 -27.521 54.744 1.00 27.36 N ATOM 1035 CA ASN A 79 17.648 -28.068 53.420 1.00 30.46 C ATOM 1036 C ASN A 79 16.730 -27.254 52.522 1.00 30.44 C ATOM 1037 O ASN A 79 16.640 -27.541 51.335 1.00 32.10 O ATOM 1038 CB ASN A 79 17.085 -29.496 53.512 1.00 30.02 C ATOM 1039 CG ASN A 79 15.766 -29.565 54.266 1.00 32.12 C ATOM 1040 OD1 ASN A 79 14.838 -30.262 53.862 1.00 35.70 O ATOM 1041 ND2 ASN A 79 15.687 -28.865 55.378 1.00 35.10 N ATOM 1042 HA ASN A 79 18.633 -28.048 52.954 1.00 0.00 H ATOM 1043 HB2 ASN A 79 16.929 -29.874 52.502 1.00 0.00 H ATOM 1044 HB3 ASN A 79 17.813 -30.125 54.025 1.00 0.00 H ATOM 1045 HD22 ASN A 79 16.494 -28.287 55.687 1.00 0.00 H ATOM 1046 HD21 ASN A 79 14.817 -28.890 55.948 1.00 0.00 H ATOM 1047 H ASN A 79 17.230 -27.753 55.514 1.00 0.00 H ATOM 1048 N ASP A 80 16.035 -26.249 53.035 1.00 30.20 N ATOM 1049 CA ASP A 80 15.160 -25.526 52.118 1.00 29.41 C ATOM 1050 C ASP A 80 15.793 -24.291 51.511 1.00 29.16 C ATOM 1051 O ASP A 80 16.961 -24.001 51.766 1.00 31.00 O ATOM 1052 CB ASP A 80 13.823 -25.177 52.776 1.00 29.83 C ATOM 1053 CG ASP A 80 13.983 -24.524 54.114 1.00 30.32 C ATOM 1054 OD1 ASP A 80 14.840 -23.624 54.233 1.00 28.50 O ATOM 1055 OD2 ASP A 80 13.239 -24.919 55.044 1.00 30.48 O ATOM 1056 HA ASP A 80 14.979 -26.214 51.292 1.00 0.00 H ATOM 1057 HB2 ASP A 80 13.280 -24.497 52.120 1.00 0.00 H ATOM 1058 HB3 ASP A 80 13.248 -26.094 52.903 1.00 0.00 H ATOM 1059 H ASP A 80 16.109 -25.989 54.039 1.00 0.00 H ATOM 1060 N LEU A 81 15.031 -23.574 50.691 1.00 26.33 N ATOM 1061 CA LEU A 81 15.559 -22.376 50.052 1.00 25.31 C ATOM 1062 C LEU A 81 15.671 -21.191 50.984 1.00 24.15 C ATOM 1063 O LEU A 81 16.465 -20.282 50.740 1.00 24.48 O ATOM 1064 CB LEU A 81 14.724 -22.012 48.825 1.00 24.82 C ATOM 1065 CG LEU A 81 14.944 -22.960 47.642 1.00 24.19 C ATOM 1066 CD1 LEU A 81 14.165 -22.487 46.415 1.00 25.59 C ATOM 1067 CD2 LEU A 81 16.431 -23.004 47.336 1.00 25.47 C ATOM 1068 HA LEU A 81 16.576 -22.619 49.745 1.00 0.00 H ATOM 1069 HB2 LEU A 81 13.670 -22.042 49.102 1.00 0.00 H ATOM 1070 HB3 LEU A 81 14.988 -21.001 48.513 1.00 0.00 H ATOM 1071 HG LEU A 81 14.583 -23.956 47.899 1.00 0.00 H ATOM 1072 HD21 LEU A 81 16.778 -22.002 47.083 1.00 0.00 H ATOM 1073 HD22 LEU A 81 16.970 -23.366 48.211 1.00 0.00 H ATOM 1074 HD23 LEU A 81 16.608 -23.675 46.495 1.00 0.00 H ATOM 1075 HD11 LEU A 81 13.101 -22.459 46.650 1.00 0.00 H ATOM 1076 HD12 LEU A 81 14.503 -21.489 46.134 1.00 0.00 H ATOM 1077 HD13 LEU A 81 14.338 -23.177 45.589 1.00 0.00 H ATOM 1078 H LEU A 81 14.052 -23.870 50.504 1.00 0.00 H ATOM 1079 N LEU A 82 14.883 -21.203 52.053 1.00 23.11 N ATOM 1080 CA LEU A 82 14.934 -20.125 53.028 1.00 22.90 C ATOM 1081 C LEU A 82 16.209 -20.274 53.857 1.00 23.14 C ATOM 1082 O LEU A 82 16.870 -19.300 54.172 1.00 20.70 O ATOM 1083 CB LEU A 82 13.732 -20.187 53.961 1.00 25.73 C ATOM 1084 CG LEU A 82 13.067 -18.833 54.226 1.00 28.92 C ATOM 1085 CD1 LEU A 82 11.995 -18.984 55.302 1.00 28.64 C ATOM 1086 CD2 LEU A 82 14.118 -17.822 54.661 1.00 30.20 C ATOM 1087 HA LEU A 82 14.923 -19.170 52.502 1.00 0.00 H ATOM 1088 HB2 LEU A 82 12.990 -20.851 53.518 1.00 0.00 H ATOM 1089 HB3 LEU A 82 14.061 -20.598 54.915 1.00 0.00 H ATOM 1090 HG LEU A 82 12.594 -18.476 53.311 1.00 0.00 H ATOM 1091 HD21 LEU A 82 14.602 -18.172 55.573 1.00 0.00 H ATOM 1092 HD22 LEU A 82 14.862 -17.712 53.872 1.00 0.00 H ATOM 1093 HD23 LEU A 82 13.640 -16.861 54.848 1.00 0.00 H ATOM 1094 HD11 LEU A 82 11.242 -19.696 54.965 1.00 0.00 H ATOM 1095 HD12 LEU A 82 12.454 -19.347 56.222 1.00 0.00 H ATOM 1096 HD13 LEU A 82 11.527 -18.017 55.485 1.00 0.00 H ATOM 1097 H LEU A 82 14.221 -21.993 52.195 1.00 0.00 H ATOM 1098 N GLY A 83 16.547 -21.506 54.213 1.00 22.74 N ATOM 1099 CA GLY A 83 17.753 -21.731 54.985 1.00 24.32 C ATOM 1100 C GLY A 83 18.931 -21.160 54.227 1.00 24.39 C ATOM 1101 O GLY A 83 19.803 -20.530 54.800 1.00 23.40 O ATOM 1102 HA3 GLY A 83 17.898 -22.801 55.136 1.00 0.00 H ATOM 1103 HA2 GLY A 83 17.666 -21.238 55.953 1.00 0.00 H ATOM 1104 H GLY A 83 15.947 -22.310 53.938 1.00 0.00 H ATOM 1105 N ASP A 84 18.953 -21.387 52.920 1.00 25.18 N ATOM 1106 CA ASP A 84 20.038 -20.892 52.087 1.00 28.36 C ATOM 1107 C ASP A 84 20.070 -19.373 52.024 1.00 27.44 C ATOM 1108 O ASP A 84 21.147 -18.777 51.957 1.00 26.83 O ATOM 1109 CB ASP A 84 19.915 -21.409 50.652 1.00 31.76 C ATOM 1110 CG ASP A 84 19.935 -22.910 50.575 1.00 36.08 C ATOM 1111 OD1 ASP A 84 20.673 -23.531 51.370 1.00 38.40 O ATOM 1112 OD2 ASP A 84 19.216 -23.484 49.728 1.00 37.50 O ATOM 1113 HA ASP A 84 20.955 -21.257 52.550 1.00 0.00 H ATOM 1114 HB2 ASP A 84 18.976 -21.050 50.230 1.00 0.00 H ATOM 1115 HB3 ASP A 84 20.748 -21.018 50.067 1.00 0.00 H ATOM 1116 H ASP A 84 18.180 -21.929 52.483 1.00 0.00 H ATOM 1117 N LEU A 85 18.894 -18.754 52.045 1.00 28.97 N ATOM 1118 CA LEU A 85 18.792 -17.305 51.951 1.00 30.85 C ATOM 1119 C LEU A 85 19.888 -16.597 52.732 1.00 31.93 C ATOM 1120 O LEU A 85 19.999 -16.759 53.938 1.00 35.35 O ATOM 1121 CB LEU A 85 17.431 -16.850 52.448 1.00 28.27 C ATOM 1122 CG LEU A 85 16.902 -15.677 51.642 1.00 29.12 C ATOM 1123 CD1 LEU A 85 16.616 -16.149 50.220 1.00 28.74 C ATOM 1124 CD2 LEU A 85 15.637 -15.134 52.286 1.00 25.85 C ATOM 1125 HA LEU A 85 18.914 -17.038 50.901 1.00 0.00 H ATOM 1126 HB2 LEU A 85 16.729 -17.680 52.367 1.00 0.00 H ATOM 1127 HB3 LEU A 85 17.518 -16.551 53.492 1.00 0.00 H ATOM 1128 HG LEU A 85 17.643 -14.878 51.617 1.00 0.00 H ATOM 1129 HD21 LEU A 85 14.881 -15.919 52.318 1.00 0.00 H ATOM 1130 HD22 LEU A 85 15.861 -14.802 53.300 1.00 0.00 H ATOM 1131 HD23 LEU A 85 15.265 -14.293 51.701 1.00 0.00 H ATOM 1132 HD11 LEU A 85 17.536 -16.523 49.771 1.00 0.00 H ATOM 1133 HD12 LEU A 85 15.873 -16.946 50.246 1.00 0.00 H ATOM 1134 HD13 LEU A 85 16.235 -15.314 49.631 1.00 0.00 H ATOM 1135 H LEU A 85 18.025 -19.319 52.131 1.00 0.00 H TER 1136 LEU A 85 ATOM 1137 N GLY A 87 24.379 -19.792 64.197 1.00 39.15 N ATOM 1138 CA GLY A 87 23.454 -18.868 64.839 1.00 37.44 C ATOM 1139 C GLY A 87 22.343 -18.452 63.894 1.00 37.97 C ATOM 1140 O GLY A 87 22.196 -17.281 63.552 1.00 36.83 O ATOM 1141 HA3 GLY A 87 24.002 -17.980 65.156 1.00 0.00 H ATOM 1142 HA2 GLY A 87 23.015 -19.353 65.711 1.00 0.00 H ATOM 1143 HN3 GLY A 87 24.805 -19.333 63.367 1.00 0.00 H ATOM 1144 HN2 GLY A 87 23.864 -20.644 63.897 1.00 0.00 H ATOM 1145 HN1 GLY A 87 25.126 -20.056 64.870 1.00 0.00 H ATOM 1146 N VAL A 88 21.544 -19.432 63.488 1.00 37.31 N ATOM 1147 CA VAL A 88 20.432 -19.219 62.566 1.00 37.27 C ATOM 1148 C VAL A 88 19.358 -18.278 63.138 1.00 36.96 C ATOM 1149 O VAL A 88 19.092 -18.286 64.340 1.00 37.14 O ATOM 1150 CB VAL A 88 19.816 -20.568 62.183 1.00 36.77 C ATOM 1151 CG1 VAL A 88 20.917 -21.528 61.765 1.00 35.02 C ATOM 1152 CG2 VAL A 88 19.025 -21.127 63.347 1.00 36.12 C ATOM 1153 HA VAL A 88 20.832 -18.730 61.678 1.00 0.00 H ATOM 1154 HB VAL A 88 19.134 -20.432 61.344 1.00 0.00 H ATOM 1155 HG11 VAL A 88 21.451 -21.116 60.909 1.00 0.00 H ATOM 1156 HG12 VAL A 88 21.610 -21.667 62.595 1.00 0.00 H ATOM 1157 HG13 VAL A 88 20.477 -22.487 61.493 1.00 0.00 H ATOM 1158 HG21 VAL A 88 19.687 -21.265 64.202 1.00 0.00 H ATOM 1159 HG22 VAL A 88 18.229 -20.431 63.611 1.00 0.00 H ATOM 1160 HG23 VAL A 88 18.592 -22.086 63.063 1.00 0.00 H ATOM 1161 H VAL A 88 21.718 -20.394 63.843 1.00 0.00 H ATOM 1162 N PRO A 89 18.751 -17.425 62.283 1.00 37.00 N ATOM 1163 CA PRO A 89 17.724 -16.502 62.784 1.00 36.71 C ATOM 1164 C PRO A 89 16.292 -17.085 62.823 1.00 35.88 C ATOM 1165 O PRO A 89 15.828 -17.729 61.871 1.00 36.39 O ATOM 1166 CB PRO A 89 17.852 -15.316 61.825 1.00 36.64 C ATOM 1167 CG PRO A 89 18.095 -16.050 60.494 1.00 36.51 C ATOM 1168 CD PRO A 89 19.152 -17.058 60.908 1.00 37.11 C ATOM 1169 HA PRO A 89 17.883 -16.246 63.831 1.00 0.00 H ATOM 1170 HD3 PRO A 89 19.140 -17.928 60.252 1.00 0.00 H ATOM 1171 HD2 PRO A 89 20.145 -16.610 60.897 1.00 0.00 H ATOM 1172 HG3 PRO A 89 18.467 -15.373 59.725 1.00 0.00 H ATOM 1173 HG2 PRO A 89 17.190 -16.542 60.137 1.00 0.00 H ATOM 1174 HB2 PRO A 89 16.938 -14.722 61.796 1.00 0.00 H ATOM 1175 HB3 PRO A 89 18.692 -14.674 62.089 1.00 0.00 H ATOM 1176 N SER A 90 15.617 -16.875 63.950 1.00 35.66 N ATOM 1177 CA SER A 90 14.247 -17.333 64.134 1.00 35.40 C ATOM 1178 C SER A 90 13.303 -16.139 64.035 1.00 34.59 C ATOM 1179 O SER A 90 13.536 -15.103 64.676 1.00 36.86 O ATOM 1180 CB SER A 90 14.101 -18.041 65.479 1.00 35.90 C ATOM 1181 OG SER A 90 14.580 -19.376 65.351 1.00 37.69 O ATOM 1182 HA SER A 90 13.991 -18.050 63.354 1.00 0.00 H ATOM 1183 HB2 SER A 90 13.052 -18.055 65.774 1.00 0.00 H ATOM 1184 HB3 SER A 90 14.683 -17.514 66.235 1.00 0.00 H ATOM 1185 HG SER A 90 14.489 -19.843 66.219 1.00 0.00 H ATOM 1186 H SER A 90 16.084 -16.366 64.727 1.00 0.00 H ATOM 1187 N PHE A 91 12.265 -16.259 63.211 1.00 31.39 N ATOM 1188 CA PHE A 91 11.335 -15.160 63.035 1.00 28.99 C ATOM 1189 C PHE A 91 9.940 -15.503 63.504 1.00 27.89 C ATOM 1190 O PHE A 91 9.470 -16.643 63.398 1.00 28.36 O ATOM 1191 CB PHE A 91 11.228 -14.725 61.558 1.00 27.78 C ATOM 1192 CG PHE A 91 12.538 -14.368 60.927 1.00 29.11 C ATOM 1193 CD1 PHE A 91 13.327 -15.355 60.341 1.00 30.40 C ATOM 1194 CD2 PHE A 91 12.989 -13.046 60.917 1.00 29.42 C ATOM 1195 CE1 PHE A 91 14.559 -15.042 59.775 1.00 29.50 C ATOM 1196 CE2 PHE A 91 14.216 -12.712 60.358 1.00 29.05 C ATOM 1197 CZ PHE A 91 15.006 -13.709 59.773 1.00 32.46 C ATOM 1198 HA PHE A 91 11.740 -14.349 63.641 1.00 0.00 H ATOM 1199 HB2 PHE A 91 10.787 -15.545 60.991 1.00 0.00 H ATOM 1200 HB3 PHE A 91 10.574 -13.855 61.504 1.00 0.00 H ATOM 1201 HD2 PHE A 91 12.368 -12.264 61.355 1.00 0.00 H ATOM 1202 HE2 PHE A 91 14.562 -11.679 60.375 1.00 0.00 H ATOM 1203 HZ PHE A 91 15.963 -13.453 59.318 1.00 0.00 H ATOM 1204 HE1 PHE A 91 15.175 -15.827 59.335 1.00 0.00 H ATOM 1205 HD1 PHE A 91 12.975 -16.386 60.326 1.00 0.00 H ATOM 1206 H PHE A 91 12.120 -17.147 62.690 1.00 0.00 H ATOM 1207 N SER A 92 9.293 -14.491 64.048 1.00 26.09 N ATOM 1208 CA SER A 92 7.917 -14.607 64.484 1.00 26.15 C ATOM 1209 C SER A 92 7.145 -13.953 63.330 1.00 27.27 C ATOM 1210 O SER A 92 7.722 -13.131 62.623 1.00 25.20 O ATOM 1211 CB SER A 92 7.726 -13.846 65.803 1.00 29.13 C ATOM 1212 OG SER A 92 6.415 -13.292 65.920 1.00 28.57 O ATOM 1213 HA SER A 92 7.588 -15.627 64.681 1.00 0.00 H ATOM 1214 HB2 SER A 92 8.455 -13.037 65.851 1.00 0.00 H ATOM 1215 HB3 SER A 92 7.893 -14.533 66.633 1.00 0.00 H ATOM 1216 HG SER A 92 6.337 -12.812 66.782 1.00 0.00 H ATOM 1217 H SER A 92 9.785 -13.583 64.167 1.00 0.00 H ATOM 1218 N VAL A 93 5.885 -14.332 63.106 1.00 27.94 N ATOM 1219 CA VAL A 93 5.123 -13.777 61.990 1.00 30.66 C ATOM 1220 C VAL A 93 4.679 -12.345 62.183 1.00 31.28 C ATOM 1221 O VAL A 93 4.242 -11.704 61.234 1.00 30.70 O ATOM 1222 CB VAL A 93 3.887 -14.599 61.714 1.00 32.31 C ATOM 1223 CG1 VAL A 93 4.292 -16.036 61.415 1.00 30.91 C ATOM 1224 CG2 VAL A 93 2.948 -14.518 62.918 1.00 31.14 C ATOM 1225 HA VAL A 93 5.821 -13.804 61.153 1.00 0.00 H ATOM 1226 HB VAL A 93 3.358 -14.210 60.844 1.00 0.00 H ATOM 1227 HG11 VAL A 93 4.944 -16.054 60.542 1.00 0.00 H ATOM 1228 HG12 VAL A 93 4.821 -16.449 62.274 1.00 0.00 H ATOM 1229 HG13 VAL A 93 3.400 -16.630 61.216 1.00 0.00 H ATOM 1230 HG21 VAL A 93 3.456 -14.907 63.800 1.00 0.00 H ATOM 1231 HG22 VAL A 93 2.666 -13.479 63.088 1.00 0.00 H ATOM 1232 HG23 VAL A 93 2.055 -15.111 62.721 1.00 0.00 H ATOM 1233 H VAL A 93 5.440 -15.031 63.734 1.00 0.00 H ATOM 1234 N LYS A 94 4.826 -11.827 63.398 1.00 34.00 N ATOM 1235 CA LYS A 94 4.394 -10.464 63.687 1.00 34.97 C ATOM 1236 C LYS A 94 5.522 -9.450 63.783 1.00 36.16 C ATOM 1237 O LYS A 94 5.272 -8.238 63.861 1.00 37.60 O ATOM 1238 CB LYS A 94 3.573 -10.439 64.979 1.00 35.67 C ATOM 1239 CG LYS A 94 2.283 -11.254 64.926 1.00 35.26 C ATOM 1240 CD LYS A 94 1.366 -10.925 66.118 1.00 36.59 C ATOM 1241 CE LYS A 94 0.175 -11.881 66.212 1.00 36.84 C ATOM 1242 NZ LYS A 94 -0.803 -11.547 67.298 1.00 38.82 N ATOM 1243 HA LYS A 94 3.789 -10.162 62.832 1.00 0.00 H ATOM 1244 HB2 LYS A 94 4.193 -10.834 65.784 1.00 0.00 H ATOM 1245 HB3 LYS A 94 3.313 -9.403 65.197 1.00 0.00 H ATOM 1246 HG2 LYS A 94 1.757 -11.027 63.999 1.00 0.00 H ATOM 1247 HG3 LYS A 94 2.531 -12.315 64.951 1.00 0.00 H ATOM 1248 HD2 LYS A 94 1.947 -10.995 67.038 1.00 0.00 H ATOM 1249 HD3 LYS A 94 0.992 -9.908 66.003 1.00 0.00 H ATOM 1250 HE2 LYS A 94 0.557 -12.885 66.394 1.00 0.00 H ATOM 1251 HE3 LYS A 94 -0.354 -11.862 65.259 1.00 0.00 H ATOM 1252 HZ1 LYS A 94 -0.319 -11.573 68.218 1.00 0.00 H ATOM 1253 HZ2 LYS A 94 -1.189 -10.595 67.134 1.00 0.00 H ATOM 1254 HZ3 LYS A 94 -1.577 -12.242 67.292 1.00 0.00 H ATOM 1255 H LYS A 94 5.254 -12.401 64.152 1.00 0.00 H ATOM 1256 N GLU A 95 6.759 -9.932 63.770 1.00 36.64 N ATOM 1257 CA GLU A 95 7.901 -9.043 63.853 1.00 35.72 C ATOM 1258 C GLU A 95 8.225 -8.510 62.470 1.00 35.08 C ATOM 1259 O GLU A 95 9.287 -8.805 61.911 1.00 33.83 O ATOM 1260 CB GLU A 95 9.095 -9.798 64.402 1.00 37.01 C ATOM 1261 CG GLU A 95 8.824 -10.496 65.701 1.00 40.81 C ATOM 1262 CD GLU A 95 10.093 -11.019 66.335 1.00 43.89 C ATOM 1263 OE1 GLU A 95 10.841 -10.203 66.927 1.00 44.74 O ATOM 1264 OE2 GLU A 95 10.345 -12.242 66.237 1.00 44.34 O ATOM 1265 HA GLU A 95 7.667 -8.211 64.517 1.00 0.00 H ATOM 1266 HB2 GLU A 95 9.398 -10.544 63.667 1.00 0.00 H ATOM 1267 HB3 GLU A 95 9.909 -9.090 64.555 1.00 0.00 H ATOM 1268 HG2 GLU A 95 8.351 -9.793 66.387 1.00 0.00 H ATOM 1269 HG3 GLU A 95 8.150 -11.333 65.518 1.00 0.00 H ATOM 1270 H GLU A 95 6.910 -10.959 63.700 1.00 0.00 H ATOM 1271 N HIS A 96 7.307 -7.716 61.934 1.00 32.93 N ATOM 1272 CA HIS A 96 7.467 -7.149 60.607 1.00 32.81 C ATOM 1273 C HIS A 96 8.809 -6.499 60.377 1.00 32.54 C ATOM 1274 O HIS A 96 9.541 -6.891 59.473 1.00 32.73 O ATOM 1275 CB HIS A 96 6.363 -6.138 60.332 1.00 30.53 C ATOM 1276 CG HIS A 96 5.047 -6.763 60.034 1.00 29.55 C ATOM 1277 ND1 HIS A 96 4.649 -7.963 60.599 1.00 29.69 N ATOM 1278 CD2 HIS A 96 4.010 -6.362 59.260 1.00 31.49 C ATOM 1279 CE1 HIS A 96 3.434 -8.261 60.188 1.00 30.48 C ATOM 1280 NE2 HIS A 96 3.022 -7.304 59.373 1.00 32.00 N ATOM 1281 HA HIS A 96 7.403 -7.989 59.915 1.00 0.00 H ATOM 1282 HB2 HIS A 96 6.252 -5.501 61.209 1.00 0.00 H ATOM 1283 HB3 HIS A 96 6.658 -5.529 59.477 1.00 0.00 H ATOM 1284 HD2 HIS A 96 3.969 -5.455 58.657 1.00 0.00 H ATOM 1285 HE1 HIS A 96 2.864 -9.146 60.471 1.00 0.00 H ATOM 1286 H HIS A 96 6.450 -7.494 62.479 1.00 0.00 H ATOM 1287 N ARG A 97 9.116 -5.491 61.180 1.00 32.47 N ATOM 1288 CA ARG A 97 10.363 -4.770 61.040 1.00 31.64 C ATOM 1289 C ARG A 97 11.535 -5.711 60.823 1.00 31.48 C ATOM 1290 O ARG A 97 12.199 -5.669 59.794 1.00 30.63 O ATOM 1291 CB ARG A 97 10.606 -3.892 62.278 1.00 31.21 C ATOM 1292 CG ARG A 97 11.947 -3.173 62.283 1.00 31.72 C ATOM 1293 CD ARG A 97 12.235 -2.530 60.940 1.00 31.65 C ATOM 1294 NE ARG A 97 11.232 -1.541 60.543 1.00 31.82 N ATOM 1295 CZ ARG A 97 11.197 -0.974 59.340 1.00 33.18 C ATOM 1296 NH1 ARG A 97 12.102 -1.304 58.432 1.00 33.75 N ATOM 1297 NH2 ARG A 97 10.267 -0.081 59.036 1.00 34.58 N ATOM 1298 HA ARG A 97 10.284 -4.135 60.158 1.00 0.00 H ATOM 1299 HB2 ARG A 97 9.816 -3.142 62.325 1.00 0.00 H ATOM 1300 HB3 ARG A 97 10.556 -4.527 63.162 1.00 0.00 H ATOM 1301 HG2 ARG A 97 11.932 -2.400 63.051 1.00 0.00 H ATOM 1302 HG3 ARG A 97 12.735 -3.892 62.508 1.00 0.00 H ATOM 1303 HD2 ARG A 97 12.268 -3.312 60.182 1.00 0.00 H ATOM 1304 HD3 ARG A 97 13.205 -2.036 60.994 1.00 0.00 H ATOM 1305 HE ARG A 97 10.508 -1.267 61.238 1.00 0.00 H ATOM 1306 HH12 ARG A 97 12.078 -0.863 57.490 1.00 0.00 H ATOM 1307 HH11 ARG A 97 12.837 -2.004 58.660 1.00 0.00 H ATOM 1308 HH22 ARG A 97 10.253 0.354 58.091 1.00 0.00 H ATOM 1309 HH21 ARG A 97 9.551 0.185 59.742 1.00 0.00 H ATOM 1310 H ARG A 97 8.447 -5.212 61.926 1.00 0.00 H ATOM 1311 N LYS A 98 11.777 -6.564 61.809 1.00 30.41 N ATOM 1312 CA LYS A 98 12.874 -7.522 61.763 1.00 31.03 C ATOM 1313 C LYS A 98 12.913 -8.339 60.464 1.00 29.46 C ATOM 1314 O LYS A 98 13.994 -8.642 59.954 1.00 29.68 O ATOM 1315 CB LYS A 98 12.786 -8.456 62.975 1.00 32.63 C ATOM 1316 CG LYS A 98 13.399 -9.823 62.770 1.00 35.38 C ATOM 1317 CD LYS A 98 13.469 -10.579 64.082 1.00 38.38 C ATOM 1318 CE LYS A 98 13.946 -12.000 63.901 1.00 40.01 C ATOM 1319 NZ LYS A 98 14.464 -12.526 65.183 1.00 42.17 N ATOM 1320 HA LYS A 98 13.801 -6.950 61.791 1.00 0.00 H ATOM 1321 HB2 LYS A 98 13.297 -7.977 63.810 1.00 0.00 H ATOM 1322 HB3 LYS A 98 11.733 -8.590 63.224 1.00 0.00 H ATOM 1323 HG2 LYS A 98 12.790 -10.387 62.064 1.00 0.00 H ATOM 1324 HG3 LYS A 98 14.406 -9.708 62.369 1.00 0.00 H ATOM 1325 HD2 LYS A 98 14.157 -10.060 64.749 1.00 0.00 H ATOM 1326 HD3 LYS A 98 12.475 -10.597 64.530 1.00 0.00 H ATOM 1327 HE2 LYS A 98 14.740 -12.023 63.154 1.00 0.00 H ATOM 1328 HE3 LYS A 98 13.115 -12.620 63.565 1.00 0.00 H ATOM 1329 HZ1 LYS A 98 15.258 -11.936 65.503 1.00 0.00 H ATOM 1330 HZ2 LYS A 98 13.707 -12.506 65.896 1.00 0.00 H ATOM 1331 HZ3 LYS A 98 14.790 -13.504 65.049 1.00 0.00 H ATOM 1332 H LYS A 98 11.161 -6.549 62.647 1.00 0.00 H ATOM 1333 N ILE A 99 11.753 -8.695 59.922 1.00 27.35 N ATOM 1334 CA ILE A 99 11.743 -9.453 58.677 1.00 25.99 C ATOM 1335 C ILE A 99 12.223 -8.550 57.556 1.00 25.46 C ATOM 1336 O ILE A 99 12.996 -8.967 56.712 1.00 23.74 O ATOM 1337 CB ILE A 99 10.349 -9.953 58.325 1.00 24.24 C ATOM 1338 CG1 ILE A 99 9.799 -10.786 59.481 1.00 24.95 C ATOM 1339 CG2 ILE A 99 10.422 -10.805 57.059 1.00 22.56 C ATOM 1340 CD1 ILE A 99 8.339 -11.113 59.361 1.00 27.08 C ATOM 1341 HA ILE A 99 12.394 -10.318 58.804 1.00 0.00 H ATOM 1342 HB ILE A 99 9.688 -9.104 58.150 1.00 0.00 H ATOM 1343 HG12 ILE A 99 10.357 -11.721 59.525 1.00 0.00 H ATOM 1344 HG13 ILE A 99 9.951 -10.230 60.406 1.00 0.00 H ATOM 1345 HD11 ILE A 99 7.762 -10.189 59.328 1.00 0.00 H ATOM 1346 HD12 ILE A 99 8.169 -11.681 58.446 1.00 0.00 H ATOM 1347 HD13 ILE A 99 8.029 -11.706 60.221 1.00 0.00 H ATOM 1348 HG21 ILE A 99 10.812 -10.202 56.239 1.00 0.00 H ATOM 1349 HG22 ILE A 99 11.082 -11.655 57.232 1.00 0.00 H ATOM 1350 HG23 ILE A 99 9.424 -11.164 56.806 1.00 0.00 H ATOM 1351 H ILE A 99 10.858 -8.434 60.383 1.00 0.00 H ATOM 1352 N TYR A 100 11.777 -7.299 57.569 1.00 24.88 N ATOM 1353 CA TYR A 100 12.173 -6.353 56.536 1.00 25.11 C ATOM 1354 C TYR A 100 13.670 -6.134 56.520 1.00 26.55 C ATOM 1355 O TYR A 100 14.289 -6.072 55.462 1.00 27.13 O ATOM 1356 CB TYR A 100 11.482 -5.022 56.748 1.00 22.85 C ATOM 1357 CG TYR A 100 10.303 -4.830 55.852 1.00 23.84 C ATOM 1358 CD1 TYR A 100 9.267 -5.762 55.822 1.00 23.05 C ATOM 1359 CD2 TYR A 100 10.216 -3.720 55.025 1.00 21.94 C ATOM 1360 CE1 TYR A 100 8.177 -5.582 54.993 1.00 23.54 C ATOM 1361 CE2 TYR A 100 9.135 -3.534 54.191 1.00 24.01 C ATOM 1362 CZ TYR A 100 8.120 -4.461 54.176 1.00 24.37 C ATOM 1363 OH TYR A 100 7.047 -4.264 53.343 1.00 27.25 O ATOM 1364 HA TYR A 100 11.875 -6.779 55.578 1.00 0.00 H ATOM 1365 HB3 TYR A 100 12.199 -4.223 56.556 1.00 0.00 H ATOM 1366 HB2 TYR A 100 11.145 -4.966 57.783 1.00 0.00 H ATOM 1367 HD2 TYR A 100 11.017 -2.981 55.035 1.00 0.00 H ATOM 1368 HE2 TYR A 100 9.085 -2.656 53.547 1.00 0.00 H ATOM 1369 HE1 TYR A 100 7.369 -6.313 54.980 1.00 0.00 H ATOM 1370 HD1 TYR A 100 9.318 -6.644 56.461 1.00 0.00 H ATOM 1371 HH TYR A 100 6.408 -5.013 53.448 1.00 0.00 H ATOM 1372 H TYR A 100 11.136 -6.991 58.328 1.00 0.00 H ATOM 1373 N THR A 101 14.249 -6.014 57.704 1.00 26.67 N ATOM 1374 CA THR A 101 15.680 -5.802 57.823 1.00 29.24 C ATOM 1375 C THR A 101 16.462 -6.941 57.175 1.00 29.14 C ATOM 1376 O THR A 101 17.364 -6.708 56.382 1.00 29.21 O ATOM 1377 CB THR A 101 16.088 -5.670 59.310 1.00 30.21 C ATOM 1378 OG1 THR A 101 15.452 -4.515 59.868 1.00 31.54 O ATOM 1379 CG2 THR A 101 17.602 -5.535 59.453 1.00 31.10 C ATOM 1380 HA THR A 101 15.921 -4.876 57.302 1.00 0.00 H ATOM 1381 HB THR A 101 15.773 -6.569 59.840 1.00 0.00 H ATOM 1382 HG1 THR A 101 14.469 -4.615 59.799 1.00 0.00 H ATOM 1383 HG23 THR A 101 18.086 -6.415 59.028 1.00 0.00 H ATOM 1384 HG21 THR A 101 17.938 -4.643 58.924 1.00 0.00 H ATOM 1385 HG22 THR A 101 17.860 -5.451 60.509 1.00 0.00 H ATOM 1386 H THR A 101 13.668 -6.073 58.565 1.00 0.00 H ATOM 1387 N MET A 102 16.117 -8.178 57.508 1.00 28.88 N ATOM 1388 CA MET A 102 16.820 -9.316 56.934 1.00 29.17 C ATOM 1389 C MET A 102 16.679 -9.236 55.404 1.00 28.41 C ATOM 1390 O MET A 102 17.658 -9.389 54.666 1.00 29.12 O ATOM 1391 CB MET A 102 16.223 -10.624 57.478 1.00 30.26 C ATOM 1392 CG MET A 102 15.094 -11.229 56.651 1.00 34.04 C ATOM 1393 SD MET A 102 15.784 -12.081 55.219 1.00 37.46 S ATOM 1394 CE MET A 102 14.819 -13.591 55.172 1.00 38.11 C ATOM 1395 HA MET A 102 17.876 -9.297 57.204 1.00 0.00 H ATOM 1396 HB2 MET A 102 17.025 -11.359 57.538 1.00 0.00 H ATOM 1397 HB3 MET A 102 15.837 -10.426 58.478 1.00 0.00 H ATOM 1398 HG2 MET A 102 14.425 -10.437 56.315 1.00 0.00 H ATOM 1399 HG3 MET A 102 14.536 -11.939 57.262 1.00 0.00 H ATOM 1400 HE1 MET A 102 14.961 -14.140 56.103 1.00 0.00 H ATOM 1401 HE2 MET A 102 13.764 -13.343 55.052 1.00 0.00 H ATOM 1402 HE3 MET A 102 15.147 -14.204 54.333 1.00 0.00 H ATOM 1403 H MET A 102 15.341 -8.335 58.182 1.00 0.00 H ATOM 1404 N ILE A 103 15.455 -8.992 54.946 1.00 25.94 N ATOM 1405 CA ILE A 103 15.177 -8.879 53.531 1.00 24.43 C ATOM 1406 C ILE A 103 16.086 -7.827 52.885 1.00 24.82 C ATOM 1407 O ILE A 103 16.693 -8.073 51.844 1.00 22.88 O ATOM 1408 CB ILE A 103 13.707 -8.490 53.318 1.00 24.51 C ATOM 1409 CG1 ILE A 103 12.807 -9.719 53.522 1.00 27.09 C ATOM 1410 CG2 ILE A 103 13.514 -7.920 51.920 1.00 26.26 C ATOM 1411 CD1 ILE A 103 12.551 -10.539 52.261 1.00 26.94 C ATOM 1412 HA ILE A 103 15.370 -9.844 53.063 1.00 0.00 H ATOM 1413 HB ILE A 103 13.431 -7.727 54.046 1.00 0.00 H ATOM 1414 HG12 ILE A 103 13.280 -10.368 54.259 1.00 0.00 H ATOM 1415 HG13 ILE A 103 11.846 -9.376 53.905 1.00 0.00 H ATOM 1416 HD11 ILE A 103 12.064 -9.912 51.514 1.00 0.00 H ATOM 1417 HD12 ILE A 103 13.500 -10.904 51.868 1.00 0.00 H ATOM 1418 HD13 ILE A 103 11.907 -11.384 52.503 1.00 0.00 H ATOM 1419 HG21 ILE A 103 14.140 -7.036 51.800 1.00 0.00 H ATOM 1420 HG22 ILE A 103 13.797 -8.670 51.181 1.00 0.00 H ATOM 1421 HG23 ILE A 103 12.468 -7.648 51.781 1.00 0.00 H ATOM 1422 H ILE A 103 14.675 -8.879 55.625 1.00 0.00 H ATOM 1423 N TYR A 104 16.175 -6.657 53.513 1.00 24.43 N ATOM 1424 CA TYR A 104 16.989 -5.572 52.988 1.00 26.87 C ATOM 1425 C TYR A 104 18.419 -6.001 52.679 1.00 26.57 C ATOM 1426 O TYR A 104 19.081 -5.425 51.812 1.00 26.60 O ATOM 1427 CB TYR A 104 16.968 -4.396 53.956 1.00 28.29 C ATOM 1428 CG TYR A 104 15.702 -3.570 53.853 1.00 30.68 C ATOM 1429 CD1 TYR A 104 15.256 -3.101 52.615 1.00 31.69 C ATOM 1430 CD2 TYR A 104 14.971 -3.223 54.991 1.00 32.88 C ATOM 1431 CE1 TYR A 104 14.115 -2.298 52.511 1.00 34.41 C ATOM 1432 CE2 TYR A 104 13.821 -2.413 54.902 1.00 35.19 C ATOM 1433 CZ TYR A 104 13.401 -1.956 53.657 1.00 36.51 C ATOM 1434 OH TYR A 104 12.278 -1.155 53.547 1.00 39.17 O ATOM 1435 HA TYR A 104 16.552 -5.266 52.037 1.00 0.00 H ATOM 1436 HB3 TYR A 104 17.822 -3.753 53.741 1.00 0.00 H ATOM 1437 HB2 TYR A 104 17.051 -4.780 54.973 1.00 0.00 H ATOM 1438 HD2 TYR A 104 15.296 -3.585 55.966 1.00 0.00 H ATOM 1439 HE2 TYR A 104 13.265 -2.147 55.801 1.00 0.00 H ATOM 1440 HE1 TYR A 104 13.786 -1.941 51.535 1.00 0.00 H ATOM 1441 HD1 TYR A 104 15.807 -3.366 51.713 1.00 0.00 H ATOM 1442 HH TYR A 104 12.413 -0.325 54.070 1.00 0.00 H ATOM 1443 H TYR A 104 15.650 -6.515 54.400 1.00 0.00 H ATOM 1444 N ARG A 105 18.898 -7.022 53.383 1.00 26.88 N ATOM 1445 CA ARG A 105 20.243 -7.543 53.111 1.00 27.13 C ATOM 1446 C ARG A 105 20.283 -8.321 51.784 1.00 25.65 C ATOM 1447 O ARG A 105 21.346 -8.454 51.176 1.00 25.81 O ATOM 1448 CB ARG A 105 20.716 -8.531 54.204 1.00 29.61 C ATOM 1449 CG ARG A 105 20.977 -7.970 55.600 1.00 35.42 C ATOM 1450 CD ARG A 105 21.738 -8.976 56.429 1.00 39.15 C ATOM 1451 NE ARG A 105 23.187 -8.682 56.389 1.00 43.67 N ATOM 1452 CZ ARG A 105 24.150 -9.533 56.733 1.00 44.82 C ATOM 1453 NH1 ARG A 105 23.814 -10.755 57.131 1.00 47.60 N ATOM 1454 NH2 ARG A 105 25.426 -9.141 56.727 1.00 45.58 N ATOM 1455 HA ARG A 105 20.892 -6.668 53.079 1.00 0.00 H ATOM 1456 HB2 ARG A 105 19.951 -9.302 54.300 1.00 0.00 H ATOM 1457 HB3 ARG A 105 21.644 -8.983 53.855 1.00 0.00 H ATOM 1458 HG2 ARG A 105 21.562 -7.054 55.517 1.00 0.00 H ATOM 1459 HG3 ARG A 105 20.026 -7.749 56.084 1.00 0.00 H ATOM 1460 HD2 ARG A 105 21.562 -9.976 56.032 1.00 0.00 H ATOM 1461 HD3 ARG A 105 21.390 -8.930 57.461 1.00 0.00 H ATOM 1462 HE ARG A 105 23.476 -7.736 56.067 1.00 0.00 H ATOM 1463 HH12 ARG A 105 24.553 -11.434 57.404 1.00 0.00 H ATOM 1464 HH11 ARG A 105 22.812 -11.032 57.170 1.00 0.00 H ATOM 1465 HH22 ARG A 105 26.176 -9.809 56.996 1.00 0.00 H ATOM 1466 HH21 ARG A 105 25.670 -8.168 56.453 1.00 0.00 H ATOM 1467 H ARG A 105 18.317 -7.454 54.130 1.00 0.00 H ATOM 1468 N ASN A 106 19.140 -8.866 51.367 1.00 21.57 N ATOM 1469 CA ASN A 106 19.083 -9.694 50.157 1.00 19.41 C ATOM 1470 C ASN A 106 18.601 -9.022 48.886 1.00 18.84 C ATOM 1471 O ASN A 106 18.096 -9.667 47.962 1.00 15.64 O ATOM 1472 CB ASN A 106 18.250 -10.946 50.435 1.00 19.06 C ATOM 1473 CG ASN A 106 18.768 -11.716 51.627 1.00 21.84 C ATOM 1474 OD1 ASN A 106 18.462 -11.389 52.776 1.00 24.23 O ATOM 1475 ND2 ASN A 106 19.585 -12.720 51.366 1.00 18.45 N ATOM 1476 HA ASN A 106 20.125 -9.933 49.944 1.00 0.00 H ATOM 1477 HB2 ASN A 106 17.220 -10.648 50.629 1.00 0.00 H ATOM 1478 HB3 ASN A 106 18.281 -11.592 49.558 1.00 0.00 H ATOM 1479 HD22 ASN A 106 19.815 -12.960 50.381 1.00 0.00 H ATOM 1480 HD21 ASN A 106 19.998 -13.270 52.146 1.00 0.00 H ATOM 1481 H ASN A 106 18.269 -8.701 51.911 1.00 0.00 H ATOM 1482 N LEU A 107 18.775 -7.713 48.834 1.00 18.87 N ATOM 1483 CA LEU A 107 18.367 -6.964 47.663 1.00 19.43 C ATOM 1484 C LEU A 107 19.072 -5.618 47.567 1.00 19.86 C ATOM 1485 O LEU A 107 19.849 -5.240 48.434 1.00 18.79 O ATOM 1486 CB LEU A 107 16.845 -6.776 47.680 1.00 20.41 C ATOM 1487 CG LEU A 107 16.321 -6.036 48.911 1.00 22.67 C ATOM 1488 CD1 LEU A 107 16.512 -4.540 48.713 1.00 20.93 C ATOM 1489 CD2 LEU A 107 14.859 -6.336 49.123 1.00 21.56 C ATOM 1490 HA LEU A 107 18.656 -7.535 46.781 1.00 0.00 H ATOM 1491 HB2 LEU A 107 16.560 -6.210 46.793 1.00 0.00 H ATOM 1492 HB3 LEU A 107 16.378 -7.760 47.647 1.00 0.00 H ATOM 1493 HG LEU A 107 16.875 -6.368 49.789 1.00 0.00 H ATOM 1494 HD21 LEU A 107 14.293 -6.016 48.248 1.00 0.00 H ATOM 1495 HD22 LEU A 107 14.727 -7.408 49.270 1.00 0.00 H ATOM 1496 HD23 LEU A 107 14.504 -5.801 50.003 1.00 0.00 H ATOM 1497 HD11 LEU A 107 17.572 -4.325 48.579 1.00 0.00 H ATOM 1498 HD12 LEU A 107 15.961 -4.218 47.829 1.00 0.00 H ATOM 1499 HD13 LEU A 107 16.140 -4.008 49.589 1.00 0.00 H ATOM 1500 H LEU A 107 19.208 -7.217 49.639 1.00 0.00 H ATOM 1501 N VAL A 108 18.800 -4.909 46.487 1.00 20.73 N ATOM 1502 CA VAL A 108 19.371 -3.602 46.266 1.00 25.74 C ATOM 1503 C VAL A 108 18.217 -2.747 45.787 1.00 27.89 C ATOM 1504 O VAL A 108 17.492 -3.137 44.885 1.00 28.37 O ATOM 1505 CB VAL A 108 20.488 -3.649 45.186 1.00 26.02 C ATOM 1506 CG1 VAL A 108 20.487 -2.358 44.399 1.00 27.32 C ATOM 1507 CG2 VAL A 108 21.850 -3.859 45.847 1.00 23.89 C ATOM 1508 HA VAL A 108 19.835 -3.210 47.171 1.00 0.00 H ATOM 1509 HB VAL A 108 20.296 -4.482 44.509 1.00 0.00 H ATOM 1510 HG11 VAL A 108 19.519 -2.230 43.915 1.00 0.00 H ATOM 1511 HG12 VAL A 108 20.670 -1.522 45.074 1.00 0.00 H ATOM 1512 HG13 VAL A 108 21.271 -2.394 43.643 1.00 0.00 H ATOM 1513 HG21 VAL A 108 22.050 -3.036 46.533 1.00 0.00 H ATOM 1514 HG22 VAL A 108 21.844 -4.800 46.397 1.00 0.00 H ATOM 1515 HG23 VAL A 108 22.624 -3.890 45.080 1.00 0.00 H ATOM 1516 H VAL A 108 18.155 -5.304 45.774 1.00 0.00 H ATOM 1517 N VAL A 109 18.045 -1.584 46.394 1.00 31.93 N ATOM 1518 CA VAL A 109 16.952 -0.699 46.026 1.00 34.49 C ATOM 1519 C VAL A 109 17.135 -0.209 44.593 1.00 36.34 C ATOM 1520 O VAL A 109 18.238 -0.256 44.048 1.00 37.70 O ATOM 1521 CB VAL A 109 16.901 0.489 46.989 1.00 36.16 C ATOM 1522 CG1 VAL A 109 15.652 1.328 46.749 1.00 36.31 C ATOM 1523 CG2 VAL A 109 16.925 -0.038 48.425 1.00 36.29 C ATOM 1524 HA VAL A 109 16.012 -1.247 46.090 1.00 0.00 H ATOM 1525 HB VAL A 109 17.766 1.129 46.819 1.00 0.00 H ATOM 1526 HG11 VAL A 109 15.660 1.705 45.726 1.00 0.00 H ATOM 1527 HG12 VAL A 109 14.766 0.712 46.904 1.00 0.00 H ATOM 1528 HG13 VAL A 109 15.639 2.166 47.446 1.00 0.00 H ATOM 1529 HG21 VAL A 109 16.062 -0.684 48.588 1.00 0.00 H ATOM 1530 HG22 VAL A 109 17.841 -0.606 48.587 1.00 0.00 H ATOM 1531 HG23 VAL A 109 16.889 0.801 49.119 1.00 0.00 H ATOM 1532 H VAL A 109 18.703 -1.298 47.147 1.00 0.00 H ATOM 1533 N VAL A 110 16.037 0.216 43.978 1.00 38.04 N ATOM 1534 CA VAL A 110 16.030 0.741 42.618 1.00 39.80 C ATOM 1535 C VAL A 110 15.573 2.189 42.685 1.00 40.97 C ATOM 1536 O VAL A 110 14.355 2.405 42.523 1.00 42.57 O ATOM 1537 CB VAL A 110 15.053 -0.019 41.686 1.00 39.33 C ATOM 1538 CG1 VAL A 110 14.981 0.696 40.325 1.00 39.72 C ATOM 1539 CG2 VAL A 110 15.517 -1.443 41.490 1.00 37.86 C ATOM 1540 HA VAL A 110 17.035 0.630 42.211 1.00 0.00 H ATOM 1541 HB VAL A 110 14.064 -0.033 42.144 1.00 0.00 H ATOM 1542 HG11 VAL A 110 14.626 1.716 40.470 1.00 0.00 H ATOM 1543 HG12 VAL A 110 15.973 0.716 39.874 1.00 0.00 H ATOM 1544 HG13 VAL A 110 14.293 0.160 39.671 1.00 0.00 H ATOM 1545 HG21 VAL A 110 16.510 -1.442 41.041 1.00 0.00 H ATOM 1546 HG22 VAL A 110 15.554 -1.948 42.455 1.00 0.00 H ATOM 1547 HG23 VAL A 110 14.820 -1.964 40.833 1.00 0.00 H ATOM 1548 H VAL A 110 15.135 0.172 44.494 1.00 0.00 H TER 1549 VAL A 110 HETATM 1550 O HOH 1 -0.838 -16.909 56.373 1.00 24.37 O HETATM 1551 O HOH 2 16.179 -16.942 56.879 1.00 39.71 O HETATM 1552 O HOH 3 18.497 -16.288 56.701 1.00 27.13 O HETATM 1553 O HOH 4 19.989 -8.631 59.179 1.00 71.39 O HETATM 1554 O HOH 5 9.753 -26.440 59.557 1.00 31.02 O HETATM 1555 O HOH 6 17.856 -11.626 59.889 1.00 36.21 O HETATM 1556 O HOH 7 21.264 -31.039 51.966 1.00 60.11 O HETATM 1557 O HOH 8 16.566 -9.422 40.790 1.00 26.26 O HETATM 1558 O HOH 9 0.202 -15.082 64.597 1.00 49.47 O HETATM 1559 O HOH 10 18.142 -8.223 38.448 1.00 52.68 O HETATM 1560 O HOH 11 21.041 -0.086 47.560 1.00 30.69 O HETATM 1561 O HOH 12 0.988 -7.190 42.912 1.00 27.51 O HETATM 1562 O HOH 13 5.321 0.514 43.048 1.00 51.38 O HETATM 1563 O HOH 14 3.083 -8.452 51.217 1.00 24.75 O HETATM 1564 O HOH 15 4.244 -6.750 53.140 1.00 30.28 O HETATM 1565 O HOH 16 22.369 -12.842 48.990 1.00 40.61 O HETATM 1566 O HOH 17 16.257 -23.056 42.953 1.00 46.14 O HETATM 1567 O HOH 18 12.021 -8.351 34.990 1.00 46.23 O HETATM 1568 O HOH 19 3.889 -9.494 41.578 1.00 34.80 O HETATM 1569 O HOH 20 11.615 -5.947 35.769 1.00 62.54 O HETATM 1570 O HOH 21 18.717 -6.102 32.745 1.00 48.01 O HETATM 1571 O HOH 22 10.386 -16.574 66.095 1.00 49.20 O HETATM 1572 O HOH 23 19.303 -5.027 56.734 1.00 36.90 O HETATM 1573 O HOH 24 19.008 -8.018 34.473 1.00 67.84 O HETATM 1574 O HOH 25 15.021 -5.422 34.469 1.00 31.61 O HETATM 1575 O HOH 26 18.125 2.071 40.821 1.00 48.81 O HETATM 1576 O HOH 27 5.827 -11.532 39.289 1.00 34.21 O HETATM 1577 O HOH 28 21.464 -6.350 58.289 1.00 41.99 O HETATM 1578 O HOH 29 3.988 -14.595 68.911 1.00 48.81 O HETATM 1579 O HOH 30 16.831 -9.071 60.544 1.00 31.26 O HETATM 1580 O HOH 31 15.138 -10.035 67.986 1.00 42.90 O HETATM 1581 O HOH 32 -2.798 -0.199 50.934 1.00 41.33 O HETATM 1582 O HOH 33 0.354 -7.790 67.661 1.00 40.96 O HETATM 1583 O HOH 34 1.717 0.189 49.306 1.00 70.42 O HETATM 1584 O HOH 35 10.499 4.094 44.811 1.00 45.54 O HETATM 1585 O HOH 36 -0.142 -9.633 51.432 1.00 28.63 O HETATM 1586 O HOH 37 21.696 -28.211 50.967 1.00 43.41 O HETATM 1587 O HOH 38 17.548 -19.229 48.333 1.00 29.87 O HETATM 1588 O HOH 39 -1.581 -7.467 49.710 1.00 26.22 O HETATM 1589 O HOH 40 4.199 -17.921 37.489 1.00 29.52 O HETATM 1590 C3 UNN A 41 5.262 -12.985 57.129 1.00 -0.06 C HETATM 1591 C2 UNN A 41 6.598 -13.265 57.321 1.00 -0.05 C HETATM 1592 C1 UNN A 41 7.419 -13.469 56.210 1.00 0.03 C HETATM 1593 CL1 UNN A 41 9.085 -13.755 56.545 1.00 -0.08 CL HETATM 1594 C4 UNN A 41 6.952 -13.412 54.892 1.00 -0.05 C HETATM 1595 C5 UNN A 41 5.604 -13.127 54.722 1.00 -0.06 C HETATM 1596 C6 UNN A 41 4.754 -12.911 55.830 1.00 -0.01 C HETATM 1597 C7 UNN A 41 3.290 -12.575 55.725 1.00 0.12 C HETATM 1598 N1 UNN A 41 3.098 -11.421 54.872 1.00 -0.24 N HETATM 1599 C8 UNN A 41 3.385 -10.037 55.325 1.00 0.10 C HETATM 1600 C25 UNN A 41 4.554 -9.777 56.338 1.00 -0.02 C HETATM 1601 C27 UNN A 41 5.739 -8.867 55.916 1.00 -0.05 C HETATM 1602 C28 UNN A 41 6.854 -8.699 56.980 1.00 -0.07 C HETATM 1603 H23 UNN A 41 7.641 -8.040 56.585 1.00 0.02 H HETATM 1604 H24 UNN A 41 7.284 -9.683 57.219 1.00 0.02 H HETATM 1605 H25 UNN A 41 6.427 -8.255 57.891 1.00 0.02 H HETATM 1606 H21 UNN A 41 5.337 -7.870 55.684 1.00 0.03 H HETATM 1607 H22 UNN A 41 6.194 -9.298 55.012 1.00 0.03 H HETATM 1608 H19 UNN A 41 4.979 -10.758 56.596 1.00 0.03 H HETATM 1609 H20 UNN A 41 4.106 -9.325 57.235 1.00 0.03 H HETATM 1610 C26 UNN A 41 2.088 -9.584 55.956 1.00 0.06 C HETATM 1611 O3 UNN A 41 1.273 -8.843 55.460 1.00 -0.57 O HETATM 1612 O4 UNN A 41 1.927 -10.105 57.188 1.00 -0.57 O HETATM 1613 H6 UNN A 41 3.599 -9.432 54.432 1.00 0.07 H HETATM 1614 C9 UNN A 41 2.632 -11.602 53.589 1.00 0.21 C HETATM 1615 O1 UNN A 41 2.312 -10.630 52.905 1.00 -0.39 O HETATM 1616 C10 UNN A 41 2.492 -13.014 52.969 1.00 0.16 C HETATM 1617 C11 UNN A 41 1.071 -13.104 52.311 1.00 0.02 C HETATM 1618 C12 UNN A 41 0.614 -14.507 52.027 1.00 -0.04 C HETATM 1619 C13 UNN A 41 -0.170 -15.215 52.945 1.00 -0.06 C HETATM 1620 C14 UNN A 41 -0.579 -16.528 52.660 1.00 -0.03 C HETATM 1621 C15 UNN A 41 -0.190 -17.118 51.442 1.00 0.12 C HETATM 1622 C16 UNN A 41 0.596 -16.404 50.528 1.00 -0.03 C HETATM 1623 C17 UNN A 41 0.994 -15.103 50.820 1.00 -0.06 C HETATM 1624 H13 UNN A 41 1.600 -14.550 50.111 1.00 0.05 H HETATM 1625 H12 UNN A 41 0.894 -16.865 49.593 1.00 0.06 H HETATM 1626 F1 UNN A 41 -0.550 -18.377 51.108 1.00 -0.19 F HETATM 1627 H11 UNN A 41 -1.186 -17.080 53.368 1.00 0.06 H HETATM 1628 H10 UNN A 41 -0.462 -14.749 53.879 1.00 0.05 H HETATM 1629 H8 UNN A 41 1.094 -12.550 51.361 1.00 0.05 H HETATM 1630 H9 UNN A 41 0.345 -12.635 52.992 1.00 0.05 H HETATM 1631 O2 UNN A 41 2.812 -14.054 53.846 1.00 -0.33 O HETATM 1632 C18 UNN A 41 2.441 -13.772 55.184 1.00 0.13 C HETATM 1633 C19 UNN A 41 2.506 -14.969 56.085 1.00 -0.01 C HETATM 1634 C20 UNN A 41 1.893 -14.903 57.346 1.00 -0.06 C HETATM 1635 C21 UNN A 41 1.987 -15.983 58.248 1.00 -0.05 C HETATM 1636 C22 UNN A 41 2.716 -17.125 57.835 1.00 0.03 C HETATM 1637 CL2 UNN A 41 2.955 -18.593 58.808 1.00 -0.08 CL HETATM 1638 C23 UNN A 41 3.326 -17.208 56.586 1.00 -0.05 C HETATM 1639 C24 UNN A 41 3.215 -16.125 55.713 1.00 -0.06 C HETATM 1640 H18 UNN A 41 3.681 -16.175 54.736 1.00 0.06 H HETATM 1641 H17 UNN A 41 3.876 -18.096 56.297 1.00 0.06 H HETATM 1642 H16 UNN A 41 1.517 -15.941 59.224 1.00 0.06 H HETATM 1643 H15 UNN A 41 1.342 -14.013 57.629 1.00 0.06 H HETATM 1644 H14 UNN A 41 1.390 -13.448 55.167 1.00 0.08 H HETATM 1645 H7 UNN A 41 3.225 -13.082 52.152 1.00 0.09 H HETATM 1646 H5 UNN A 41 2.927 -12.327 56.733 1.00 0.08 H HETATM 1647 H4 UNN A 41 5.195 -13.069 53.720 1.00 0.06 H HETATM 1648 H3 UNN A 41 7.609 -13.582 54.047 1.00 0.06 H HETATM 1649 H2 UNN A 41 7.007 -13.326 58.323 1.00 0.06 H HETATM 1650 H1 UNN A 41 4.610 -12.823 57.980 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1137 1138 1143 1144 1145 CONECT 1143 1137 CONECT 1144 1137 CONECT 1145 1137 CONECT 1590 1591 1596 1650 CONECT 1591 1590 1592 1649 CONECT 1592 1591 1593 1594 CONECT 1593 1592 CONECT 1594 1592 1595 1648 CONECT 1595 1594 1596 1647 CONECT 1596 1590 1595 1597 CONECT 1597 1596 1598 1632 1646 CONECT 1598 1597 1599 1614 CONECT 1599 1598 1600 1610 1613 CONECT 1600 1599 1601 1608 1609 CONECT 1601 1600 1602 1606 1607 CONECT 1602 1601 1603 1604 1605 CONECT 1603 1602 CONECT 1604 1602 CONECT 1605 1602 CONECT 1606 1601 CONECT 1607 1601 CONECT 1608 1600 CONECT 1609 1600 CONECT 1610 1599 1611 1612 CONECT 1611 1610 CONECT 1612 1610 CONECT 1613 1599 CONECT 1614 1598 1615 1616 CONECT 1615 1614 CONECT 1616 1614 1617 1631 1645 CONECT 1617 1616 1618 1629 1630 CONECT 1618 1617 1619 1623 CONECT 1619 1618 1620 1628 CONECT 1620 1619 1621 1627 CONECT 1621 1620 1622 1626 CONECT 1622 1621 1623 1625 CONECT 1623 1618 1622 1624 CONECT 1624 1623 CONECT 1625 1622 CONECT 1626 1621 CONECT 1627 1620 CONECT 1628 1619 CONECT 1629 1617 CONECT 1630 1617 CONECT 1631 1616 1632 CONECT 1632 1597 1631 1633 1644 CONECT 1633 1632 1634 1639 CONECT 1634 1633 1635 1643 CONECT 1635 1634 1636 1642 CONECT 1636 1635 1637 1638 CONECT 1637 1636 CONECT 1638 1636 1639 1641 CONECT 1639 1633 1638 1640 CONECT 1640 1639 CONECT 1641 1638 CONECT 1642 1635 CONECT 1643 1634 CONECT 1644 1632 CONECT 1645 1616 CONECT 1646 1597 CONECT 1647 1595 CONECT 1648 1594 CONECT 1649 1591 CONECT 1650 1590 MASTER 0 0 0 0 0 0 0 0 1648 2 69 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4jve
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1rv1
RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
1t4e
RCSB PDB
PDBbind
96aa, >1T4E_1|Chains... at 98%
2axi
RCSB PDB
PDBbind
115aa, >2AXI_1|Chain... at 95%
2gv2
RCSB PDB
PDBbind
110aa, >2GV2_1|Chain... at 99%
2lzg
RCSB PDB
PDBbind
125aa, >2LZG_1|Chain... at 100%
3jzk
RCSB PDB
PDBbind
96aa, >3JZK_1|Chain... at 98%
3lbk
RCSB PDB
PDBbind
95aa, >3LBK_1|Chain... at 97%
3lbl
RCSB PDB
PDBbind
95aa, >3LBL_1|Chains... at 98%
3lnz
RCSB PDB
PDBbind
85aa, >3LNZ_1|Chains... at 100%
3tu1
RCSB PDB
PDBbind
108aa, >3TU1_1|Chain... at 100%
3vbg
RCSB PDB
PDBbind
85aa, >3VBG_1|Chains... at 98%
3vzv
RCSB PDB
PDBbind
87aa, >3VZV_1|Chains... at 96%
3w69
RCSB PDB
PDBbind
87aa, >3W69_1|Chains... at 96%
4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
96aa, >4ERE_1|Chains... at 98%
4erf
RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
4hbm
RCSB PDB
PDBbind
120aa, >4HBM_1|Chains... at 100%
4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4jve
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
1MQ
EC.Number
E.C.6.3.2
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
IC50=0.086uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Med.Chem. Vol. 56: pp. 4053-4070
Ligand Properties
Formula
C
2
8
H
2
6
Cl
2
FNO
4
Molecular Weight
530.415
Exact Mass
529.122
No. of atoms
62
No. of bonds
65
Polar Surface Area
66.84
LOGP Value
7.55 (
Computed with XLOGP3
)
6.58 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
CCC[C@@H](N1C(=O)[C@H](Cc2ccc(cc2)F)O[C@H]([C@H]1c1ccc(cc1)Cl)c1ccc(cc1)Cl)C(=O)O
InChI String
InChI=1S/C28H26Cl2FNO4/c1-2-3-23(28(34)35)32-25(18-6-10-20(29)11-7-18)26(19-8-12-21(30)13-9-19)36-24(27(32)33)16-17-4-14-22(31)15-5-17/h4-15,23-26H,2-3,16H2,1H3,(H,34,35)/t23-,24+,25-,26+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com