Browse entries in the PDBbind-CN Database
HEADER 2JST_COMPLEX COMPND 2JST_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 62 MET LYS LYS LEU ARG GLU GLU ALA ALA LYS LEU PHE GLU SEQRES 2 A 62 GLU TRP LYS LYS LEU ALA GLU GLU ALA ALA LYS LEU LEU SEQRES 3 A 62 GLU GLY GLY GLY GLY GLY GLY GLY GLY GLU LEU MET LYS SEQRES 4 A 62 LEU CYS GLU GLU ALA ALA LYS LYS ALA GLU GLU LEU PHE SEQRES 5 A 62 LYS LEU ALA GLU GLU ARG LEU LYS LYS LEU SEQRES 1 B 62 MET LYS LYS LEU ARG GLU GLU ALA ALA LYS LEU PHE GLU SEQRES 2 B 62 GLU TRP LYS LYS LEU ALA GLU GLU ALA ALA LYS LEU LEU SEQRES 3 B 62 GLU GLY GLY GLY GLY GLY GLY GLY GLY GLU LEU MET LYS SEQRES 4 B 62 LEU CYS GLU GLU ALA ALA LYS LYS ALA GLU GLU LEU PHE SEQRES 5 B 62 LYS LEU ALA GLU GLU ARG LEU LYS LYS LEU HET HLT A 125 8 ATOM 1 N MET A 1 -12.605 18.360 0.840 1.00 0.00 N ATOM 2 CA MET A 1 -13.541 18.727 -0.217 1.00 52.33 C ATOM 3 C MET A 1 -13.332 20.175 -0.649 1.00 51.23 C ATOM 4 O MET A 1 -14.250 20.823 -1.153 1.00 14.52 O ATOM 5 CB MET A 1 -14.982 18.528 0.257 1.00 20.11 C ATOM 6 CG MET A 1 -15.998 18.526 -0.874 1.00 23.45 C ATOM 7 SD MET A 1 -17.249 19.809 -0.686 1.00 50.22 S ATOM 8 CE MET A 1 -17.370 20.413 -2.368 1.00 71.25 C ATOM 9 HA MET A 1 -13.355 18.080 -1.074 1.00 0.00 H ATOM 10 HB2 MET A 1 -15.045 17.573 0.779 1.00 0.00 H ATOM 11 HB3 MET A 1 -15.233 19.335 0.946 1.00 0.00 H ATOM 12 HG2 MET A 1 -16.494 17.556 -0.896 1.00 0.00 H ATOM 13 HG3 MET A 1 -15.473 18.686 -1.816 1.00 0.00 H ATOM 14 HE1 MET A 1 -16.400 20.793 -2.687 1.00 0.00 H ATOM 15 HE2 MET A 1 -17.676 19.598 -3.024 1.00 0.00 H ATOM 16 HE3 MET A 1 -18.108 21.214 -2.413 1.00 0.00 H ATOM 17 HN3 MET A 1 -12.752 18.980 1.662 1.00 0.00 H ATOM 18 HN2 MET A 1 -11.631 18.469 0.492 1.00 0.00 H ATOM 19 HN1 MET A 1 -12.767 17.371 1.117 1.00 0.00 H ATOM 20 N LYS A 2 -12.118 20.679 -0.449 1.00 73.31 N ATOM 21 CA LYS A 2 -11.788 22.050 -0.818 1.00 44.11 C ATOM 22 C LYS A 2 -11.673 22.192 -2.333 1.00 41.40 C ATOM 23 O LYS A 2 -12.558 22.748 -2.984 1.00 2.42 O ATOM 24 CB LYS A 2 -10.477 22.477 -0.154 1.00 42.22 C ATOM 25 CG LYS A 2 -9.970 23.831 -0.622 1.00 61.41 C ATOM 26 CD LYS A 2 -10.970 24.934 -0.321 1.00 75.12 C ATOM 27 CE LYS A 2 -10.282 26.281 -0.161 1.00 64.01 C ATOM 28 NZ LYS A 2 -11.240 27.413 -0.292 1.00 55.45 N ATOM 29 HA LYS A 2 -12.592 22.698 -0.470 1.00 0.00 H ATOM 30 HB2 LYS A 2 -10.635 22.522 0.924 1.00 0.00 H ATOM 31 HB3 LYS A 2 -9.717 21.728 -0.378 1.00 0.00 H ATOM 32 HG2 LYS A 2 -9.032 24.054 -0.113 1.00 0.00 H ATOM 33 HG3 LYS A 2 -9.798 23.793 -1.698 1.00 0.00 H ATOM 34 HD2 LYS A 2 -11.686 24.997 -1.140 1.00 0.00 H ATOM 35 HD3 LYS A 2 -11.497 24.693 0.602 1.00 0.00 H ATOM 36 HE2 LYS A 2 -9.514 26.378 -0.929 1.00 0.00 H ATOM 37 HE3 LYS A 2 -9.817 26.325 0.824 1.00 0.00 H ATOM 38 HZ1 LYS A 2 -11.684 27.383 -1.232 1.00 0.00 H ATOM 39 HZ2 LYS A 2 -11.973 27.332 0.441 1.00 0.00 H ATOM 40 HZ3 LYS A 2 -10.730 28.312 -0.176 1.00 0.00 H ATOM 41 H LYS A 2 -11.385 20.080 -0.018 1.00 0.00 H ATOM 42 N LYS A 3 -10.577 21.686 -2.889 1.00 11.51 N ATOM 43 CA LYS A 3 -10.346 21.755 -4.326 1.00 24.52 C ATOM 44 C LYS A 3 -9.026 21.087 -4.698 1.00 42.41 C ATOM 45 O LYS A 3 -8.922 20.427 -5.733 1.00 50.32 O ATOM 46 CB LYS A 3 -10.343 23.212 -4.795 1.00 22.12 C ATOM 47 CG LYS A 3 -11.580 23.600 -5.586 1.00 24.54 C ATOM 48 CD LYS A 3 -11.265 24.653 -6.633 1.00 1.54 C ATOM 49 CE LYS A 3 -12.443 24.880 -7.569 1.00 31.31 C ATOM 50 NZ LYS A 3 -12.106 24.537 -8.978 1.00 11.13 N ATOM 51 HA LYS A 3 -11.156 21.222 -4.824 1.00 0.00 H ATOM 52 HB2 LYS A 3 -10.279 23.856 -3.918 1.00 0.00 H ATOM 53 HB3 LYS A 3 -9.468 23.369 -5.425 1.00 0.00 H ATOM 54 HG2 LYS A 3 -11.975 22.714 -6.083 1.00 0.00 H ATOM 55 HG3 LYS A 3 -12.329 23.995 -4.900 1.00 0.00 H ATOM 56 HD2 LYS A 3 -11.025 25.591 -6.132 1.00 0.00 H ATOM 57 HD3 LYS A 3 -10.406 24.325 -7.218 1.00 0.00 H ATOM 58 HE2 LYS A 3 -12.734 25.929 -7.521 1.00 0.00 H ATOM 59 HE3 LYS A 3 -13.277 24.258 -7.244 1.00 0.00 H ATOM 60 HZ1 LYS A 3 -11.315 25.131 -9.299 1.00 0.00 H ATOM 61 HZ2 LYS A 3 -11.833 23.535 -9.034 1.00 0.00 H ATOM 62 HZ3 LYS A 3 -12.935 24.706 -9.582 1.00 0.00 H ATOM 63 H LYS A 3 -9.866 21.229 -2.283 1.00 0.00 H ATOM 64 N LEU A 4 -8.020 21.261 -3.848 1.00 10.12 N ATOM 65 CA LEU A 4 -6.706 20.674 -4.086 1.00 71.33 C ATOM 66 C LEU A 4 -6.353 19.669 -2.994 1.00 53.32 C ATOM 67 O LEU A 4 -5.585 18.735 -3.222 1.00 21.51 O ATOM 68 CB LEU A 4 -5.641 21.769 -4.152 1.00 13.24 C ATOM 69 CG LEU A 4 -5.523 22.512 -5.483 1.00 2.24 C ATOM 70 CD1 LEU A 4 -5.202 21.541 -6.609 1.00 62.42 C ATOM 71 CD2 LEU A 4 -6.803 23.277 -5.783 1.00 74.41 C ATOM 72 HA LEU A 4 -6.737 20.149 -5.041 1.00 0.00 H ATOM 73 HB2 LEU A 4 -5.869 22.503 -3.379 1.00 0.00 H ATOM 74 HB3 LEU A 4 -4.676 21.309 -3.940 1.00 0.00 H ATOM 75 HG LEU A 4 -4.706 23.229 -5.406 1.00 0.00 H ATOM 76 HD21 LEU A 4 -7.638 22.578 -5.840 1.00 0.00 H ATOM 77 HD22 LEU A 4 -6.987 24.000 -4.989 1.00 0.00 H ATOM 78 HD23 LEU A 4 -6.698 23.799 -6.734 1.00 0.00 H ATOM 79 HD11 LEU A 4 -4.257 21.041 -6.397 1.00 0.00 H ATOM 80 HD12 LEU A 4 -5.998 20.800 -6.686 1.00 0.00 H ATOM 81 HD13 LEU A 4 -5.122 22.089 -7.548 1.00 0.00 H ATOM 82 H LEU A 4 -8.173 21.830 -2.991 1.00 0.00 H ATOM 83 N ARG A 5 -6.919 19.868 -1.808 1.00 42.03 N ATOM 84 CA ARG A 5 -6.664 18.978 -0.682 1.00 54.43 C ATOM 85 C ARG A 5 -7.353 17.632 -0.885 1.00 52.54 C ATOM 86 O ARG A 5 -6.756 16.580 -0.664 1.00 44.32 O ATOM 87 CB ARG A 5 -7.148 19.620 0.621 1.00 61.21 C ATOM 88 CG ARG A 5 -6.738 21.076 0.772 1.00 73.21 C ATOM 89 CD ARG A 5 -7.038 21.596 2.169 1.00 32.23 C ATOM 90 NE ARG A 5 -5.874 22.240 2.773 1.00 71.12 N ATOM 91 CZ ARG A 5 -5.420 23.432 2.404 1.00 13.35 C ATOM 92 NH1 ARG A 5 -6.028 24.108 1.438 1.00 21.23 N ATOM 93 NH2 ARG A 5 -4.356 23.952 3.003 1.00 43.32 N ATOM 94 HA ARG A 5 -5.589 18.810 -0.620 1.00 0.00 H ATOM 95 HB2 ARG A 5 -8.236 19.564 0.650 1.00 0.00 H ATOM 96 HB3 ARG A 5 -6.734 19.057 1.457 1.00 0.00 H ATOM 97 HG2 ARG A 5 -5.668 21.165 0.583 1.00 0.00 H ATOM 98 HG3 ARG A 5 -7.285 21.676 0.045 1.00 0.00 H ATOM 99 HD2 ARG A 5 -7.344 20.760 2.798 1.00 0.00 H ATOM 100 HD3 ARG A 5 -7.850 22.321 2.109 1.00 0.00 H ATOM 101 HE ARG A 5 -5.374 21.737 3.534 1.00 0.00 H ATOM 102 HH12 ARG A 5 -5.670 25.041 1.152 1.00 0.00 H ATOM 103 HH11 ARG A 5 -6.863 23.705 0.967 1.00 0.00 H ATOM 104 HH22 ARG A 5 -4.001 24.886 2.714 1.00 0.00 H ATOM 105 HH21 ARG A 5 -3.877 23.426 3.762 1.00 0.00 H ATOM 106 H ARG A 5 -7.559 20.678 -1.680 1.00 0.00 H ATOM 107 N GLU A 6 -8.613 17.676 -1.306 1.00 22.22 N ATOM 108 CA GLU A 6 -9.382 16.459 -1.538 1.00 73.14 C ATOM 109 C GLU A 6 -8.642 15.519 -2.485 1.00 74.31 C ATOM 110 O GLU A 6 -8.810 14.301 -2.422 1.00 3.02 O ATOM 111 CB GLU A 6 -10.759 16.801 -2.114 1.00 20.15 C ATOM 112 CG GLU A 6 -11.890 15.982 -1.515 1.00 24.24 C ATOM 113 CD GLU A 6 -13.130 15.975 -2.387 1.00 2.01 C ATOM 114 OE1 GLU A 6 -13.235 16.847 -3.275 1.00 52.55 O ATOM 115 OE2 GLU A 6 -13.995 15.098 -2.183 1.00 23.32 O ATOM 116 HA GLU A 6 -9.511 15.954 -0.581 1.00 0.00 H ATOM 117 HB2 GLU A 6 -10.959 17.856 -1.925 1.00 0.00 H ATOM 118 HB3 GLU A 6 -10.737 16.624 -3.189 1.00 0.00 H ATOM 119 HG2 GLU A 6 -11.548 14.955 -1.386 1.00 0.00 H ATOM 120 HG3 GLU A 6 -12.149 16.402 -0.543 1.00 0.00 H ATOM 121 H GLU A 6 -9.061 18.600 -1.474 1.00 0.00 H ATOM 122 N GLU A 7 -7.823 16.094 -3.360 1.00 35.11 N ATOM 123 CA GLU A 7 -7.059 15.307 -4.320 1.00 1.21 C ATOM 124 C GLU A 7 -6.225 14.243 -3.611 1.00 22.22 C ATOM 125 O GLU A 7 -5.958 13.177 -4.165 1.00 43.41 O ATOM 126 CB GLU A 7 -6.147 16.216 -5.148 1.00 73.35 C ATOM 127 CG GLU A 7 -6.900 17.267 -5.947 1.00 31.01 C ATOM 128 CD GLU A 7 -7.472 16.718 -7.239 1.00 30.33 C ATOM 129 OE1 GLU A 7 -8.706 16.538 -7.312 1.00 71.10 O ATOM 130 OE2 GLU A 7 -6.686 16.468 -8.177 1.00 63.42 O ATOM 131 HA GLU A 7 -7.764 14.808 -4.985 1.00 0.00 H ATOM 132 HB2 GLU A 7 -5.460 16.724 -4.471 1.00 0.00 H ATOM 133 HB3 GLU A 7 -5.580 15.596 -5.842 1.00 0.00 H ATOM 134 HG2 GLU A 7 -7.719 17.649 -5.337 1.00 0.00 H ATOM 135 HG3 GLU A 7 -6.216 18.081 -6.186 1.00 0.00 H ATOM 136 H GLU A 7 -7.725 17.129 -3.360 1.00 0.00 H ATOM 137 N ALA A 8 -5.817 14.541 -2.382 1.00 63.02 N ATOM 138 CA ALA A 8 -5.016 13.611 -1.596 1.00 5.32 C ATOM 139 C ALA A 8 -5.866 12.455 -1.080 1.00 22.15 C ATOM 140 O ALA A 8 -5.360 11.359 -0.842 1.00 24.43 O ATOM 141 CB ALA A 8 -4.349 14.338 -0.437 1.00 71.14 C ATOM 142 HA ALA A 8 -4.243 13.198 -2.244 1.00 0.00 H ATOM 143 HB1 ALA A 8 -3.703 15.124 -0.827 1.00 0.00 H ATOM 144 HB2 ALA A 8 -5.114 14.778 0.202 1.00 0.00 H ATOM 145 HB3 ALA A 8 -3.754 13.630 0.140 1.00 0.00 H ATOM 146 H ALA A 8 -6.076 15.461 -1.971 1.00 0.00 H ATOM 147 N ALA A 9 -7.159 12.708 -0.909 1.00 34.22 N ATOM 148 CA ALA A 9 -8.079 11.687 -0.422 1.00 22.24 C ATOM 149 C ALA A 9 -8.188 10.530 -1.410 1.00 45.11 C ATOM 150 O ALA A 9 -8.230 9.365 -1.016 1.00 2.13 O ATOM 151 CB ALA A 9 -9.451 12.293 -0.161 1.00 5.44 C ATOM 152 HA ALA A 9 -7.684 11.294 0.515 1.00 0.00 H ATOM 153 HB1 ALA A 9 -9.363 13.080 0.588 1.00 0.00 H ATOM 154 HB2 ALA A 9 -9.843 12.714 -1.087 1.00 0.00 H ATOM 155 HB3 ALA A 9 -10.126 11.518 0.202 1.00 0.00 H ATOM 156 H ALA A 9 -7.524 13.657 -1.128 1.00 0.00 H ATOM 157 N LYS A 10 -8.236 10.860 -2.697 1.00 21.01 N ATOM 158 CA LYS A 10 -8.341 9.849 -3.742 1.00 1.51 C ATOM 159 C LYS A 10 -7.086 8.985 -3.791 1.00 11.44 C ATOM 160 O LYS A 10 -7.154 7.785 -4.064 1.00 52.23 O ATOM 161 CB LYS A 10 -8.568 10.515 -5.102 1.00 61.00 C ATOM 162 CG LYS A 10 -9.610 11.619 -5.073 1.00 34.30 C ATOM 163 CD LYS A 10 -10.224 11.843 -6.444 1.00 43.24 C ATOM 164 CE LYS A 10 -9.248 12.530 -7.386 1.00 5.14 C ATOM 165 NZ LYS A 10 -8.959 11.698 -8.589 1.00 52.45 N ATOM 166 HA LYS A 10 -9.192 9.209 -3.510 1.00 0.00 H ATOM 167 HB2 LYS A 10 -7.623 10.942 -5.439 1.00 0.00 H ATOM 168 HB3 LYS A 10 -8.894 9.752 -5.809 1.00 0.00 H ATOM 169 HG2 LYS A 10 -10.398 11.344 -4.372 1.00 0.00 H ATOM 170 HG3 LYS A 10 -9.137 12.543 -4.741 1.00 0.00 H ATOM 171 HD2 LYS A 10 -10.507 10.879 -6.868 1.00 0.00 H ATOM 172 HD3 LYS A 10 -11.112 12.466 -6.337 1.00 0.00 H ATOM 173 HE2 LYS A 10 -8.315 12.716 -6.853 1.00 0.00 H ATOM 174 HE3 LYS A 10 -9.677 13.479 -7.708 1.00 0.00 H ATOM 175 HZ1 LYS A 10 -8.543 10.793 -8.291 1.00 0.00 H ATOM 176 HZ2 LYS A 10 -9.843 11.521 -9.107 1.00 0.00 H ATOM 177 HZ3 LYS A 10 -8.290 12.202 -9.205 1.00 0.00 H ATOM 178 H LYS A 10 -8.198 11.864 -2.965 1.00 0.00 H ATOM 179 N LEU A 11 -5.939 9.600 -3.523 1.00 31.13 N ATOM 180 CA LEU A 11 -4.667 8.886 -3.534 1.00 4.10 C ATOM 181 C LEU A 11 -4.736 7.636 -2.663 1.00 21.31 C ATOM 182 O LEU A 11 -4.268 6.567 -3.054 1.00 62.32 O ATOM 183 CB LEU A 11 -3.541 9.799 -3.048 1.00 54.55 C ATOM 184 CG LEU A 11 -3.381 11.125 -3.794 1.00 65.24 C ATOM 185 CD1 LEU A 11 -2.158 11.876 -3.294 1.00 21.23 C ATOM 186 CD2 LEU A 11 -3.285 10.884 -5.294 1.00 61.42 C ATOM 187 HA LEU A 11 -4.460 8.581 -4.560 1.00 0.00 H ATOM 188 HB2 LEU A 11 -3.726 10.027 -1.998 1.00 0.00 H ATOM 189 HB3 LEU A 11 -2.604 9.250 -3.139 1.00 0.00 H ATOM 190 HG LEU A 11 -4.261 11.737 -3.599 1.00 0.00 H ATOM 191 HD21 LEU A 11 -2.422 10.252 -5.505 1.00 0.00 H ATOM 192 HD22 LEU A 11 -4.193 10.389 -5.640 1.00 0.00 H ATOM 193 HD23 LEU A 11 -3.172 11.839 -5.808 1.00 0.00 H ATOM 194 HD11 LEU A 11 -2.269 12.080 -2.229 1.00 0.00 H ATOM 195 HD12 LEU A 11 -1.268 11.268 -3.458 1.00 0.00 H ATOM 196 HD13 LEU A 11 -2.063 12.816 -3.838 1.00 0.00 H ATOM 197 H LEU A 11 -5.948 10.616 -3.300 1.00 0.00 H ATOM 198 N PHE A 12 -5.324 7.779 -1.480 1.00 12.14 N ATOM 199 CA PHE A 12 -5.455 6.661 -0.551 1.00 25.20 C ATOM 200 C PHE A 12 -6.531 5.687 -1.023 1.00 41.12 C ATOM 201 O PHE A 12 -6.518 4.510 -0.662 1.00 2.11 O ATOM 202 CB PHE A 12 -5.794 7.172 0.851 1.00 25.43 C ATOM 203 CG PHE A 12 -4.671 7.930 1.499 1.00 41.05 C ATOM 204 CD1 PHE A 12 -3.376 7.437 1.470 1.00 43.53 C ATOM 205 CD2 PHE A 12 -4.910 9.136 2.139 1.00 64.45 C ATOM 206 CE1 PHE A 12 -2.341 8.133 2.067 1.00 64.44 C ATOM 207 CE2 PHE A 12 -3.879 9.836 2.736 1.00 71.03 C ATOM 208 CZ PHE A 12 -2.594 9.334 2.700 1.00 24.23 C ATOM 209 HA PHE A 12 -4.501 6.135 -0.517 1.00 0.00 H ATOM 210 HB2 PHE A 12 -6.659 7.831 0.779 1.00 0.00 H ATOM 211 HB3 PHE A 12 -6.042 6.317 1.480 1.00 0.00 H ATOM 212 HD2 PHE A 12 -5.923 9.537 2.172 1.00 0.00 H ATOM 213 HE2 PHE A 12 -4.080 10.784 3.235 1.00 0.00 H ATOM 214 HZ PHE A 12 -1.780 9.885 3.171 1.00 0.00 H ATOM 215 HE1 PHE A 12 -1.327 7.734 2.038 1.00 0.00 H ATOM 216 HD1 PHE A 12 -3.171 6.490 0.971 1.00 0.00 H ATOM 217 H PHE A 12 -5.700 8.710 -1.210 1.00 0.00 H ATOM 218 N GLU A 13 -7.460 6.186 -1.832 1.00 61.13 N ATOM 219 CA GLU A 13 -8.543 5.360 -2.352 1.00 73.24 C ATOM 220 C GLU A 13 -7.994 4.182 -3.151 1.00 13.20 C ATOM 221 O GLU A 13 -8.535 3.078 -3.099 1.00 51.15 O ATOM 222 CB GLU A 13 -9.475 6.197 -3.230 1.00 62.34 C ATOM 223 CG GLU A 13 -10.951 5.940 -2.971 1.00 12.53 C ATOM 224 CD GLU A 13 -11.509 6.815 -1.865 1.00 0.52 C ATOM 225 OE1 GLU A 13 -11.463 8.055 -2.010 1.00 41.35 O ATOM 226 OE2 GLU A 13 -11.990 6.262 -0.855 1.00 34.53 O ATOM 227 HA GLU A 13 -9.107 4.970 -1.505 1.00 0.00 H ATOM 228 HB2 GLU A 13 -9.271 7.251 -3.043 1.00 0.00 H ATOM 229 HB3 GLU A 13 -9.263 5.967 -4.274 1.00 0.00 H ATOM 230 HG2 GLU A 13 -11.506 6.138 -3.888 1.00 0.00 H ATOM 231 HG3 GLU A 13 -11.080 4.895 -2.689 1.00 0.00 H ATOM 232 H GLU A 13 -7.413 7.190 -2.101 1.00 0.00 H ATOM 233 N GLU A 14 -6.916 4.426 -3.888 1.00 44.43 N ATOM 234 CA GLU A 14 -6.294 3.387 -4.700 1.00 61.51 C ATOM 235 C GLU A 14 -5.512 2.411 -3.826 1.00 4.34 C ATOM 236 O GLU A 14 -5.456 1.214 -4.111 1.00 55.34 O ATOM 237 CB GLU A 14 -5.367 4.009 -5.745 1.00 53.35 C ATOM 238 CG GLU A 14 -5.976 5.200 -6.466 1.00 13.32 C ATOM 239 CD GLU A 14 -5.379 5.416 -7.844 1.00 75.43 C ATOM 240 OE1 GLU A 14 -4.788 6.492 -8.073 1.00 31.34 O ATOM 241 OE2 GLU A 14 -5.505 4.508 -8.693 1.00 62.10 O ATOM 242 HA GLU A 14 -7.086 2.838 -5.210 1.00 0.00 H ATOM 243 HB2 GLU A 14 -4.455 4.337 -5.246 1.00 0.00 H ATOM 244 HB3 GLU A 14 -5.121 3.247 -6.485 1.00 0.00 H ATOM 245 HG2 GLU A 14 -7.048 5.033 -6.572 1.00 0.00 H ATOM 246 HG3 GLU A 14 -5.806 6.095 -5.867 1.00 0.00 H ATOM 247 H GLU A 14 -6.506 5.382 -3.886 1.00 0.00 H ATOM 248 N TRP A 15 -4.909 2.930 -2.764 1.00 0.53 N ATOM 249 CA TRP A 15 -4.128 2.106 -1.849 1.00 12.12 C ATOM 250 C TRP A 15 -4.964 0.953 -1.306 1.00 64.33 C ATOM 251 O TRP A 15 -4.525 -0.198 -1.300 1.00 54.13 O ATOM 252 CB TRP A 15 -3.596 2.954 -0.692 1.00 11.41 C ATOM 253 CG TRP A 15 -2.454 3.844 -1.083 1.00 64.44 C ATOM 254 CD1 TRP A 15 -2.333 4.560 -2.238 1.00 44.43 C ATOM 255 CD2 TRP A 15 -1.273 4.107 -0.318 1.00 64.02 C ATOM 256 NE1 TRP A 15 -1.148 5.255 -2.239 1.00 5.23 N ATOM 257 CE2 TRP A 15 -0.480 4.994 -1.072 1.00 2.45 C ATOM 258 CE3 TRP A 15 -0.810 3.683 0.929 1.00 32.34 C ATOM 259 CZ2 TRP A 15 0.751 5.461 -0.617 1.00 12.44 C ATOM 260 CZ3 TRP A 15 0.412 4.147 1.380 1.00 62.11 C ATOM 261 CH2 TRP A 15 1.181 5.029 0.609 1.00 60.23 C ATOM 262 HA TRP A 15 -3.286 1.691 -2.403 1.00 0.00 H ATOM 263 HB2 TRP A 15 -4.408 3.577 -0.318 1.00 0.00 H ATOM 264 HB3 TRP A 15 -3.258 2.286 0.100 1.00 0.00 H ATOM 265 HE1 TRP A 15 -0.813 5.878 -3.001 1.00 0.00 H ATOM 266 HD1 TRP A 15 -3.069 4.578 -3.042 1.00 0.00 H ATOM 267 HZ2 TRP A 15 1.351 6.146 -1.216 1.00 0.00 H ATOM 268 HH2 TRP A 15 2.140 5.378 0.993 1.00 0.00 H ATOM 269 HZ3 TRP A 15 0.783 3.821 2.352 1.00 0.00 H ATOM 270 HE3 TRP A 15 -1.402 2.998 1.537 1.00 0.00 H ATOM 271 H TRP A 15 -4.996 3.950 -2.580 1.00 0.00 H ATOM 272 N LYS A 16 -6.173 1.267 -0.852 1.00 62.22 N ATOM 273 CA LYS A 16 -7.073 0.256 -0.309 1.00 72.13 C ATOM 274 C LYS A 16 -7.711 -0.562 -1.427 1.00 24.43 C ATOM 275 O LYS A 16 -8.099 -1.713 -1.225 1.00 4.35 O ATOM 276 CB LYS A 16 -8.163 0.917 0.539 1.00 65.20 C ATOM 277 CG LYS A 16 -8.845 -0.037 1.504 1.00 23.02 C ATOM 278 CD LYS A 16 -9.901 0.671 2.335 1.00 60.30 C ATOM 279 CE LYS A 16 -10.961 -0.298 2.833 1.00 71.33 C ATOM 280 NZ LYS A 16 -12.227 -0.182 2.057 1.00 4.01 N ATOM 281 HA LYS A 16 -6.488 -0.415 0.320 1.00 0.00 H ATOM 282 HB2 LYS A 16 -7.710 1.724 1.114 1.00 0.00 H ATOM 283 HB3 LYS A 16 -8.918 1.329 -0.130 1.00 0.00 H ATOM 284 HG2 LYS A 16 -9.319 -0.837 0.936 1.00 0.00 H ATOM 285 HG3 LYS A 16 -8.095 -0.462 2.171 1.00 0.00 H ATOM 286 HD2 LYS A 16 -9.420 1.142 3.193 1.00 0.00 H ATOM 287 HD3 LYS A 16 -10.379 1.436 1.723 1.00 0.00 H ATOM 288 HE2 LYS A 16 -11.169 -0.085 3.882 1.00 0.00 H ATOM 289 HE3 LYS A 16 -10.581 -1.315 2.739 1.00 0.00 H ATOM 290 HZ1 LYS A 16 -12.600 0.785 2.147 1.00 0.00 H ATOM 291 HZ2 LYS A 16 -12.039 -0.390 1.056 1.00 0.00 H ATOM 292 HZ3 LYS A 16 -12.923 -0.860 2.428 1.00 0.00 H ATOM 293 H LYS A 16 -6.485 2.259 -0.885 1.00 0.00 H ATOM 294 N LYS A 17 -7.815 0.038 -2.608 1.00 43.03 N ATOM 295 CA LYS A 17 -8.403 -0.635 -3.760 1.00 72.12 C ATOM 296 C LYS A 17 -7.516 -1.784 -4.230 1.00 15.13 C ATOM 297 O LYS A 17 -7.944 -2.939 -4.261 1.00 54.42 O ATOM 298 CB LYS A 17 -8.615 0.359 -4.904 1.00 61.13 C ATOM 299 CG LYS A 17 -10.065 0.487 -5.337 1.00 73.24 C ATOM 300 CD LYS A 17 -10.306 1.774 -6.109 1.00 71.30 C ATOM 301 CE LYS A 17 -10.484 1.507 -7.596 1.00 53.24 C ATOM 302 NZ LYS A 17 -11.407 2.489 -8.229 1.00 54.23 N ATOM 303 HA LYS A 17 -9.367 -1.043 -3.457 1.00 0.00 H ATOM 304 HB2 LYS A 17 -8.264 1.339 -4.579 1.00 0.00 H ATOM 305 HB3 LYS A 17 -8.027 0.030 -5.761 1.00 0.00 H ATOM 306 HG2 LYS A 17 -10.321 -0.361 -5.973 1.00 0.00 H ATOM 307 HG3 LYS A 17 -10.701 0.481 -4.452 1.00 0.00 H ATOM 308 HD2 LYS A 17 -11.206 2.255 -5.725 1.00 0.00 H ATOM 309 HD3 LYS A 17 -9.453 2.437 -5.968 1.00 0.00 H ATOM 310 HE2 LYS A 17 -10.891 0.504 -7.728 1.00 0.00 H ATOM 311 HE3 LYS A 17 -9.512 1.571 -8.085 1.00 0.00 H ATOM 312 HZ1 LYS A 17 -12.340 2.430 -7.773 1.00 0.00 H ATOM 313 HZ2 LYS A 17 -11.023 3.448 -8.113 1.00 0.00 H ATOM 314 HZ3 LYS A 17 -11.501 2.272 -9.242 1.00 0.00 H ATOM 315 H LYS A 17 -7.468 1.013 -2.713 1.00 0.00 H ATOM 316 N LEU A 18 -6.280 -1.461 -4.592 1.00 53.11 N ATOM 317 CA LEU A 18 -5.331 -2.467 -5.058 1.00 72.45 C ATOM 318 C LEU A 18 -5.176 -3.585 -4.032 1.00 65.12 C ATOM 319 O LEU A 18 -4.954 -4.742 -4.390 1.00 74.34 O ATOM 320 CB LEU A 18 -3.973 -1.823 -5.340 1.00 35.35 C ATOM 321 CG LEU A 18 -3.809 -1.173 -6.713 1.00 53.21 C ATOM 322 CD1 LEU A 18 -2.522 -0.363 -6.771 1.00 73.44 C ATOM 323 CD2 LEU A 18 -3.826 -2.228 -7.809 1.00 35.24 C ATOM 324 HA LEU A 18 -5.719 -2.898 -5.981 1.00 0.00 H ATOM 325 HB2 LEU A 18 -3.805 -1.055 -4.585 1.00 0.00 H ATOM 326 HB3 LEU A 18 -3.211 -2.597 -5.244 1.00 0.00 H ATOM 327 HG LEU A 18 -4.648 -0.496 -6.875 1.00 0.00 H ATOM 328 HD21 LEU A 18 -3.007 -2.929 -7.649 1.00 0.00 H ATOM 329 HD22 LEU A 18 -4.775 -2.763 -7.782 1.00 0.00 H ATOM 330 HD23 LEU A 18 -3.708 -1.745 -8.779 1.00 0.00 H ATOM 331 HD11 LEU A 18 -2.551 0.418 -6.011 1.00 0.00 H ATOM 332 HD12 LEU A 18 -1.672 -1.020 -6.587 1.00 0.00 H ATOM 333 HD13 LEU A 18 -2.424 0.091 -7.757 1.00 0.00 H ATOM 334 H LEU A 18 -5.981 -0.466 -4.542 1.00 0.00 H ATOM 335 N ALA A 19 -5.295 -3.232 -2.757 1.00 72.35 N ATOM 336 CA ALA A 19 -5.172 -4.207 -1.680 1.00 42.33 C ATOM 337 C ALA A 19 -6.276 -5.254 -1.759 1.00 54.05 C ATOM 338 O ALA A 19 -6.121 -6.372 -1.268 1.00 42.51 O ATOM 339 CB ALA A 19 -5.201 -3.507 -0.329 1.00 1.52 C ATOM 340 HA ALA A 19 -4.215 -4.717 -1.792 1.00 0.00 H ATOM 341 HB1 ALA A 19 -4.372 -2.802 -0.269 1.00 0.00 H ATOM 342 HB2 ALA A 19 -6.144 -2.971 -0.219 1.00 0.00 H ATOM 343 HB3 ALA A 19 -5.108 -4.248 0.465 1.00 0.00 H ATOM 344 H ALA A 19 -5.480 -2.236 -2.521 1.00 0.00 H ATOM 345 N GLU A 20 -7.394 -4.885 -2.377 1.00 3.52 N ATOM 346 CA GLU A 20 -8.526 -5.793 -2.518 1.00 12.12 C ATOM 347 C GLU A 20 -8.230 -6.875 -3.554 1.00 13.55 C ATOM 348 O GLU A 20 -8.423 -8.062 -3.298 1.00 71.02 O ATOM 349 CB GLU A 20 -9.783 -5.019 -2.917 1.00 5.00 C ATOM 350 CG GLU A 20 -10.006 -3.757 -2.102 1.00 42.24 C ATOM 351 CD GLU A 20 -11.426 -3.640 -1.582 1.00 65.33 C ATOM 352 OE1 GLU A 20 -11.737 -4.282 -0.557 1.00 5.32 O ATOM 353 OE2 GLU A 20 -12.226 -2.908 -2.202 1.00 75.11 O ATOM 354 HA GLU A 20 -8.695 -6.274 -1.554 1.00 0.00 H ATOM 355 HB2 GLU A 20 -9.697 -4.740 -3.967 1.00 0.00 H ATOM 356 HB3 GLU A 20 -10.646 -5.672 -2.785 1.00 0.00 H ATOM 357 HG2 GLU A 20 -9.323 -3.765 -1.253 1.00 0.00 H ATOM 358 HG3 GLU A 20 -9.792 -2.893 -2.731 1.00 0.00 H ATOM 359 H GLU A 20 -7.463 -3.924 -2.770 1.00 0.00 H ATOM 360 N GLU A 21 -7.760 -6.453 -4.723 1.00 0.41 N ATOM 361 CA GLU A 21 -7.439 -7.384 -5.797 1.00 64.51 C ATOM 362 C GLU A 21 -6.145 -8.136 -5.498 1.00 43.33 C ATOM 363 O GLU A 21 -6.084 -9.359 -5.614 1.00 35.31 O ATOM 364 CB GLU A 21 -7.313 -6.640 -7.129 1.00 52.41 C ATOM 365 CG GLU A 21 -8.514 -5.767 -7.453 1.00 20.03 C ATOM 366 CD GLU A 21 -9.302 -6.279 -8.643 1.00 41.52 C ATOM 367 OE1 GLU A 21 -10.546 -6.174 -8.618 1.00 71.32 O ATOM 368 OE2 GLU A 21 -8.676 -6.783 -9.598 1.00 24.00 O ATOM 369 HA GLU A 21 -8.251 -8.107 -5.869 1.00 0.00 H ATOM 370 HB2 GLU A 21 -6.427 -6.007 -7.088 1.00 0.00 H ATOM 371 HB3 GLU A 21 -7.196 -7.375 -7.925 1.00 0.00 H ATOM 372 HG2 GLU A 21 -9.171 -5.740 -6.584 1.00 0.00 H ATOM 373 HG3 GLU A 21 -8.164 -4.759 -7.673 1.00 0.00 H ATOM 374 H GLU A 21 -7.618 -5.434 -4.875 1.00 0.00 H ATOM 375 N ALA A 22 -5.112 -7.393 -5.114 1.00 42.14 N ATOM 376 CA ALA A 22 -3.819 -7.987 -4.797 1.00 44.24 C ATOM 377 C ALA A 22 -3.949 -9.022 -3.685 1.00 42.30 C ATOM 378 O ALA A 22 -3.106 -9.907 -3.547 1.00 53.33 O ATOM 379 CB ALA A 22 -2.824 -6.906 -4.402 1.00 22.12 C ATOM 380 HA ALA A 22 -3.451 -8.495 -5.689 1.00 0.00 H ATOM 381 HB1 ALA A 22 -2.702 -6.207 -5.229 1.00 0.00 H ATOM 382 HB2 ALA A 22 -3.196 -6.374 -3.527 1.00 0.00 H ATOM 383 HB3 ALA A 22 -1.864 -7.366 -4.168 1.00 0.00 H ATOM 384 H ALA A 22 -5.229 -6.362 -5.038 1.00 0.00 H ATOM 385 N ALA A 23 -5.010 -8.903 -2.894 1.00 51.30 N ATOM 386 CA ALA A 23 -5.251 -9.829 -1.794 1.00 41.33 C ATOM 387 C ALA A 23 -5.775 -11.165 -2.307 1.00 22.53 C ATOM 388 O ALA A 23 -5.209 -12.220 -2.016 1.00 32.22 O ATOM 389 CB ALA A 23 -6.229 -9.224 -0.798 1.00 10.33 C ATOM 390 HA ALA A 23 -4.302 -10.010 -1.290 1.00 0.00 H ATOM 391 HB1 ALA A 23 -5.814 -8.298 -0.400 1.00 0.00 H ATOM 392 HB2 ALA A 23 -7.173 -9.014 -1.300 1.00 0.00 H ATOM 393 HB3 ALA A 23 -6.398 -9.928 0.017 1.00 0.00 H ATOM 394 H ALA A 23 -5.685 -8.130 -3.064 1.00 0.00 H ATOM 395 N LYS A 24 -6.861 -11.116 -3.072 1.00 30.44 N ATOM 396 CA LYS A 24 -7.462 -12.323 -3.627 1.00 15.21 C ATOM 397 C LYS A 24 -6.526 -12.984 -4.634 1.00 23.23 C ATOM 398 O LYS A 24 -6.536 -14.204 -4.798 1.00 21.23 O ATOM 399 CB LYS A 24 -8.797 -11.991 -4.296 1.00 62.12 C ATOM 400 CG LYS A 24 -8.650 -11.409 -5.692 1.00 23.44 C ATOM 401 CD LYS A 24 -8.703 -12.493 -6.756 1.00 35.51 C ATOM 402 CE LYS A 24 -9.768 -12.196 -7.801 1.00 33.21 C ATOM 403 NZ LYS A 24 -11.104 -12.712 -7.393 1.00 32.32 N ATOM 404 HA LYS A 24 -7.637 -13.021 -2.808 1.00 0.00 H ATOM 405 HB2 LYS A 24 -9.386 -12.906 -4.364 1.00 0.00 H ATOM 406 HB3 LYS A 24 -9.324 -11.267 -3.674 1.00 0.00 H ATOM 407 HG2 LYS A 24 -9.459 -10.700 -5.868 1.00 0.00 H ATOM 408 HG3 LYS A 24 -7.693 -10.891 -5.761 1.00 0.00 H ATOM 409 HD2 LYS A 24 -7.732 -12.556 -7.247 1.00 0.00 H ATOM 410 HD3 LYS A 24 -8.930 -13.447 -6.280 1.00 0.00 H ATOM 411 HE2 LYS A 24 -9.480 -12.666 -8.741 1.00 0.00 H ATOM 412 HE3 LYS A 24 -9.834 -11.117 -7.941 1.00 0.00 H ATOM 413 HZ1 LYS A 24 -11.052 -13.743 -7.264 1.00 0.00 H ATOM 414 HZ2 LYS A 24 -11.389 -12.263 -6.499 1.00 0.00 H ATOM 415 HZ3 LYS A 24 -11.801 -12.489 -8.132 1.00 0.00 H ATOM 416 H LYS A 24 -7.293 -10.193 -3.280 1.00 0.00 H ATOM 417 N LEU A 25 -5.718 -12.171 -5.306 1.00 70.10 N ATOM 418 CA LEU A 25 -4.775 -12.677 -6.297 1.00 12.34 C ATOM 419 C LEU A 25 -3.551 -13.287 -5.620 1.00 25.41 C ATOM 420 O LEU A 25 -3.061 -14.339 -6.034 1.00 1.32 O ATOM 421 CB LEU A 25 -4.343 -11.553 -7.239 1.00 40.22 C ATOM 422 CG LEU A 25 -5.009 -11.537 -8.616 1.00 73.21 C ATOM 423 CD1 LEU A 25 -4.476 -10.388 -9.455 1.00 2.55 C ATOM 424 CD2 LEU A 25 -4.793 -12.865 -9.327 1.00 71.33 C ATOM 425 HA LEU A 25 -5.274 -13.455 -6.875 1.00 0.00 H ATOM 426 HB2 LEU A 25 -4.565 -10.604 -6.750 1.00 0.00 H ATOM 427 HB3 LEU A 25 -3.267 -11.639 -7.390 1.00 0.00 H ATOM 428 HG LEU A 25 -6.080 -11.391 -8.478 1.00 0.00 H ATOM 429 HD21 LEU A 25 -3.724 -13.039 -9.452 1.00 0.00 H ATOM 430 HD22 LEU A 25 -5.227 -13.669 -8.732 1.00 0.00 H ATOM 431 HD23 LEU A 25 -5.274 -12.835 -10.305 1.00 0.00 H ATOM 432 HD11 LEU A 25 -4.684 -9.444 -8.951 1.00 0.00 H ATOM 433 HD12 LEU A 25 -3.400 -10.503 -9.584 1.00 0.00 H ATOM 434 HD13 LEU A 25 -4.963 -10.395 -10.430 1.00 0.00 H ATOM 435 H LEU A 25 -5.759 -11.148 -5.121 1.00 0.00 H ATOM 436 N LEU A 26 -3.064 -12.622 -4.580 1.00 30.24 N ATOM 437 CA LEU A 26 -1.898 -13.101 -3.844 1.00 54.11 C ATOM 438 C LEU A 26 -2.064 -14.566 -3.452 1.00 41.42 C ATOM 439 O LEU A 26 -1.180 -15.386 -3.693 1.00 13.32 O ATOM 440 CB LEU A 26 -1.674 -12.248 -2.593 1.00 71.31 C ATOM 441 CG LEU A 26 -0.626 -11.142 -2.714 1.00 52.33 C ATOM 442 CD1 LEU A 26 -0.743 -10.168 -1.552 1.00 11.13 C ATOM 443 CD2 LEU A 26 0.773 -11.736 -2.775 1.00 70.25 C ATOM 444 HA LEU A 26 -1.028 -13.015 -4.495 1.00 0.00 H ATOM 445 HB2 LEU A 26 -2.624 -11.781 -2.333 1.00 0.00 H ATOM 446 HB3 LEU A 26 -1.365 -12.913 -1.787 1.00 0.00 H ATOM 447 HG LEU A 26 -0.807 -10.596 -3.640 1.00 0.00 H ATOM 448 HD21 LEU A 26 0.964 -12.307 -1.866 1.00 0.00 H ATOM 449 HD22 LEU A 26 0.850 -12.393 -3.641 1.00 0.00 H ATOM 450 HD23 LEU A 26 1.504 -10.932 -2.861 1.00 0.00 H ATOM 451 HD11 LEU A 26 -1.736 -9.718 -1.555 1.00 0.00 H ATOM 452 HD12 LEU A 26 -0.588 -10.702 -0.615 1.00 0.00 H ATOM 453 HD13 LEU A 26 0.011 -9.388 -1.656 1.00 0.00 H ATOM 454 H LEU A 26 -3.524 -11.738 -4.282 1.00 0.00 H ATOM 455 N GLU A 27 -3.205 -14.885 -2.848 1.00 65.11 N ATOM 456 CA GLU A 27 -3.487 -16.252 -2.426 1.00 34.13 C ATOM 457 C GLU A 27 -4.205 -17.025 -3.528 1.00 13.03 C ATOM 458 O GLU A 27 -4.728 -18.115 -3.296 1.00 43.32 O ATOM 459 CB GLU A 27 -4.336 -16.250 -1.153 1.00 11.43 C ATOM 460 CG GLU A 27 -3.858 -15.259 -0.103 1.00 64.11 C ATOM 461 CD GLU A 27 -3.741 -15.880 1.274 1.00 33.50 C ATOM 462 OE1 GLU A 27 -4.784 -16.281 1.835 1.00 42.32 O ATOM 463 OE2 GLU A 27 -2.609 -15.967 1.794 1.00 45.43 O ATOM 464 HA GLU A 27 -2.537 -16.745 -2.221 1.00 0.00 H ATOM 465 HB2 GLU A 27 -5.362 -15.998 -1.423 1.00 0.00 H ATOM 466 HB3 GLU A 27 -4.311 -17.250 -0.720 1.00 0.00 H ATOM 467 HG2 GLU A 27 -2.880 -14.880 -0.400 1.00 0.00 H ATOM 468 HG3 GLU A 27 -4.567 -14.432 -0.054 1.00 0.00 H ATOM 469 H GLU A 27 -3.912 -14.143 -2.673 1.00 0.00 H ATOM 470 N GLY A 28 -4.226 -16.454 -4.728 1.00 51.42 N ATOM 471 CA GLY A 28 -4.882 -17.102 -5.848 1.00 54.55 C ATOM 472 C GLY A 28 -4.287 -18.460 -6.162 1.00 12.21 C ATOM 473 O GLY A 28 -4.877 -19.249 -6.898 1.00 14.01 O ATOM 474 HA3 GLY A 28 -4.784 -16.465 -6.727 1.00 0.00 H ATOM 475 HA2 GLY A 28 -5.938 -17.229 -5.609 1.00 0.00 H ATOM 476 H GLY A 28 -3.766 -15.531 -4.866 1.00 0.00 H ATOM 477 N GLY A 29 -3.112 -18.732 -5.602 1.00 65.51 N ATOM 478 CA GLY A 29 -2.454 -20.004 -5.840 1.00 32.52 C ATOM 479 C GLY A 29 -0.975 -19.847 -6.130 1.00 24.01 C ATOM 480 O GLY A 29 -0.448 -20.460 -7.057 1.00 63.14 O ATOM 481 HA3 GLY A 29 -2.928 -20.489 -6.693 1.00 0.00 H ATOM 482 HA2 GLY A 29 -2.573 -20.630 -4.956 1.00 0.00 H ATOM 483 H GLY A 29 -2.660 -18.026 -4.987 1.00 0.00 H ATOM 484 N GLY A 30 -0.302 -19.021 -5.334 1.00 2.42 N ATOM 485 CA GLY A 30 1.119 -18.798 -5.528 1.00 62.10 C ATOM 486 C GLY A 30 1.954 -19.369 -4.398 1.00 44.22 C ATOM 487 O GLY A 30 2.976 -20.012 -4.636 1.00 50.25 O ATOM 488 HA3 GLY A 30 1.300 -17.725 -5.590 1.00 0.00 H ATOM 489 HA2 GLY A 30 1.423 -19.271 -6.462 1.00 0.00 H ATOM 490 H GLY A 30 -0.799 -18.530 -4.564 1.00 0.00 H ATOM 491 N GLY A 31 1.520 -19.131 -3.165 1.00 41.31 N ATOM 492 CA GLY A 31 2.247 -19.631 -2.012 1.00 44.44 C ATOM 493 C GLY A 31 1.536 -19.338 -0.706 1.00 4.43 C ATOM 494 O GLY A 31 1.119 -18.207 -0.459 1.00 30.13 O ATOM 495 HA3 GLY A 31 3.230 -19.162 -1.988 1.00 0.00 H ATOM 496 HA2 GLY A 31 2.363 -20.710 -2.113 1.00 0.00 H ATOM 497 H GLY A 31 0.649 -18.580 -3.024 1.00 0.00 H ATOM 498 N GLY A 32 1.396 -20.360 0.132 1.00 30.14 N ATOM 499 CA GLY A 32 0.729 -20.187 1.409 1.00 23.15 C ATOM 500 C GLY A 32 1.441 -20.906 2.537 1.00 33.14 C ATOM 501 O GLY A 32 1.462 -22.136 2.584 1.00 72.24 O ATOM 502 HA3 GLY A 32 -0.285 -20.578 1.330 1.00 0.00 H ATOM 503 HA2 GLY A 32 0.690 -19.123 1.642 1.00 0.00 H ATOM 504 H GLY A 32 1.769 -21.295 -0.131 1.00 0.00 H ATOM 505 N GLY A 33 2.028 -20.138 3.451 1.00 64.42 N ATOM 506 CA GLY A 33 2.738 -20.728 4.571 1.00 52.22 C ATOM 507 C GLY A 33 2.035 -20.490 5.893 1.00 43.23 C ATOM 508 O GLY A 33 1.896 -21.404 6.704 1.00 11.43 O ATOM 509 HA3 GLY A 33 3.736 -20.292 4.622 1.00 0.00 H ATOM 510 HA2 GLY A 33 2.820 -21.802 4.407 1.00 0.00 H ATOM 511 H GLY A 33 1.978 -19.103 3.362 1.00 0.00 H ATOM 512 N GLY A 34 1.591 -19.255 6.110 1.00 32.53 N ATOM 513 CA GLY A 34 0.906 -18.921 7.346 1.00 20.23 C ATOM 514 C GLY A 34 -0.072 -17.776 7.175 1.00 43.33 C ATOM 515 O GLY A 34 0.066 -16.963 6.261 1.00 71.03 O ATOM 516 HA3 GLY A 34 1.648 -18.639 8.092 1.00 0.00 H ATOM 517 HA2 GLY A 34 0.360 -19.799 7.692 1.00 0.00 H ATOM 518 H GLY A 34 1.736 -18.521 5.387 1.00 0.00 H ATOM 519 N GLY A 35 -1.066 -17.711 8.056 1.00 62.32 N ATOM 520 CA GLY A 35 -2.058 -16.655 7.978 1.00 13.14 C ATOM 521 C GLY A 35 -1.484 -15.295 8.322 1.00 51.21 C ATOM 522 O GLY A 35 -1.715 -14.319 7.609 1.00 53.14 O ATOM 523 HA3 GLY A 35 -2.865 -16.881 8.675 1.00 0.00 H ATOM 524 HA2 GLY A 35 -2.454 -16.621 6.963 1.00 0.00 H ATOM 525 H GLY A 35 -1.133 -18.425 8.809 1.00 0.00 H ATOM 526 N GLU A 36 -0.734 -15.229 9.418 1.00 61.21 N ATOM 527 CA GLU A 36 -0.128 -13.977 9.855 1.00 20.24 C ATOM 528 C GLU A 36 0.828 -13.438 8.796 1.00 4.42 C ATOM 529 O GLU A 36 0.920 -12.227 8.584 1.00 22.02 O ATOM 530 CB GLU A 36 0.618 -14.179 11.175 1.00 34.31 C ATOM 531 CG GLU A 36 1.383 -12.951 11.636 1.00 33.11 C ATOM 532 CD GLU A 36 1.497 -12.866 13.146 1.00 22.53 C ATOM 533 OE1 GLU A 36 1.732 -13.916 13.782 1.00 63.11 O ATOM 534 OE2 GLU A 36 1.353 -11.753 13.692 1.00 73.04 O ATOM 535 HA GLU A 36 -0.926 -13.249 10.005 1.00 0.00 H ATOM 536 HB2 GLU A 36 -0.108 -14.442 11.944 1.00 0.00 H ATOM 537 HB3 GLU A 36 1.325 -14.999 11.049 1.00 0.00 H ATOM 538 HG2 GLU A 36 2.386 -12.985 11.211 1.00 0.00 H ATOM 539 HG3 GLU A 36 0.867 -12.062 11.274 1.00 0.00 H ATOM 540 H GLU A 36 -0.576 -16.092 9.977 1.00 0.00 H ATOM 541 N LEU A 37 1.540 -14.343 8.132 1.00 52.11 N ATOM 542 CA LEU A 37 2.490 -13.959 7.095 1.00 52.51 C ATOM 543 C LEU A 37 1.830 -13.058 6.057 1.00 42.13 C ATOM 544 O LEU A 37 2.283 -11.940 5.812 1.00 22.44 O ATOM 545 CB LEU A 37 3.064 -15.204 6.416 1.00 42.03 C ATOM 546 CG LEU A 37 4.075 -14.951 5.296 1.00 72.33 C ATOM 547 CD1 LEU A 37 5.367 -14.382 5.862 1.00 63.43 C ATOM 548 CD2 LEU A 37 4.348 -16.236 4.525 1.00 53.43 C ATOM 549 HA LEU A 37 3.300 -13.403 7.567 1.00 0.00 H ATOM 550 HB2 LEU A 37 3.557 -15.804 7.181 1.00 0.00 H ATOM 551 HB3 LEU A 37 2.232 -15.767 5.994 1.00 0.00 H ATOM 552 HG LEU A 37 3.651 -14.220 4.607 1.00 0.00 H ATOM 553 HD21 LEU A 37 4.751 -16.987 5.204 1.00 0.00 H ATOM 554 HD22 LEU A 37 3.418 -16.601 4.088 1.00 0.00 H ATOM 555 HD23 LEU A 37 5.069 -16.036 3.733 1.00 0.00 H ATOM 556 HD11 LEU A 37 5.156 -13.440 6.369 1.00 0.00 H ATOM 557 HD12 LEU A 37 5.794 -15.090 6.572 1.00 0.00 H ATOM 558 HD13 LEU A 37 6.073 -14.209 5.050 1.00 0.00 H ATOM 559 H LEU A 37 1.416 -15.351 8.358 1.00 0.00 H ATOM 560 N MET A 38 0.753 -13.551 5.452 1.00 10.53 N ATOM 561 CA MET A 38 0.028 -12.788 4.443 1.00 62.12 C ATOM 562 C MET A 38 -0.652 -11.573 5.065 1.00 61.02 C ATOM 563 O MET A 38 -0.884 -10.567 4.394 1.00 41.44 O ATOM 564 CB MET A 38 -1.013 -13.673 3.754 1.00 54.13 C ATOM 565 CG MET A 38 -1.818 -12.948 2.688 1.00 32.14 C ATOM 566 SD MET A 38 -3.588 -12.950 3.032 1.00 13.31 S ATOM 567 CE MET A 38 -3.689 -11.676 4.287 1.00 52.53 C ATOM 568 HA MET A 38 0.746 -12.440 3.701 1.00 0.00 H ATOM 569 HB2 MET A 38 -0.497 -14.512 3.286 1.00 0.00 H ATOM 570 HB3 MET A 38 -1.702 -14.048 4.511 1.00 0.00 H ATOM 571 HG2 MET A 38 -1.648 -13.438 1.729 1.00 0.00 H ATOM 572 HG3 MET A 38 -1.474 -11.915 2.633 1.00 0.00 H ATOM 573 HE1 MET A 38 -3.077 -11.962 5.143 1.00 0.00 H ATOM 574 HE2 MET A 38 -3.325 -10.734 3.877 1.00 0.00 H ATOM 575 HE3 MET A 38 -4.726 -11.560 4.602 1.00 0.00 H ATOM 576 H MET A 38 0.420 -14.503 5.705 1.00 0.00 H ATOM 577 N LYS A 39 -0.970 -11.673 6.351 1.00 41.21 N ATOM 578 CA LYS A 39 -1.624 -10.581 7.066 1.00 4.24 C ATOM 579 C LYS A 39 -0.832 -9.286 6.921 1.00 42.03 C ATOM 580 O LYS A 39 -1.400 -8.194 6.945 1.00 44.43 O ATOM 581 CB LYS A 39 -1.779 -10.935 8.546 1.00 11.44 C ATOM 582 CG LYS A 39 -3.046 -10.382 9.173 1.00 73.33 C ATOM 583 CD LYS A 39 -3.133 -10.724 10.651 1.00 30.41 C ATOM 584 CE LYS A 39 -4.547 -10.549 11.183 1.00 2.31 C ATOM 585 NZ LYS A 39 -4.781 -11.351 12.415 1.00 13.35 N ATOM 586 HA LYS A 39 -2.612 -10.433 6.630 1.00 0.00 H ATOM 587 HB2 LYS A 39 -1.792 -12.021 8.641 1.00 0.00 H ATOM 588 HB3 LYS A 39 -0.922 -10.534 9.088 1.00 0.00 H ATOM 589 HG2 LYS A 39 -3.054 -9.298 9.059 1.00 0.00 H ATOM 590 HG3 LYS A 39 -3.909 -10.806 8.660 1.00 0.00 H ATOM 591 HD2 LYS A 39 -2.827 -11.760 10.793 1.00 0.00 H ATOM 592 HD3 LYS A 39 -2.462 -10.069 11.206 1.00 0.00 H ATOM 593 HE2 LYS A 39 -5.254 -10.866 10.416 1.00 0.00 H ATOM 594 HE3 LYS A 39 -4.710 -9.496 11.412 1.00 0.00 H ATOM 595 HZ1 LYS A 39 -4.635 -12.359 12.204 1.00 0.00 H ATOM 596 HZ2 LYS A 39 -4.115 -11.050 13.155 1.00 0.00 H ATOM 597 HZ3 LYS A 39 -5.756 -11.203 12.744 1.00 0.00 H ATOM 598 H LYS A 39 -0.747 -12.551 6.861 1.00 0.00 H ATOM 599 N LEU A 40 0.481 -9.414 6.770 1.00 4.31 N ATOM 600 CA LEU A 40 1.352 -8.253 6.620 1.00 61.44 C ATOM 601 C LEU A 40 0.996 -7.465 5.363 1.00 25.14 C ATOM 602 O LEU A 40 1.183 -6.249 5.307 1.00 61.23 O ATOM 603 CB LEU A 40 2.816 -8.692 6.563 1.00 32.21 C ATOM 604 CG LEU A 40 3.475 -9.005 7.906 1.00 31.50 C ATOM 605 CD1 LEU A 40 4.727 -9.844 7.704 1.00 3.22 C ATOM 606 CD2 LEU A 40 3.806 -7.720 8.651 1.00 3.14 C ATOM 607 HA LEU A 40 1.207 -7.607 7.486 1.00 0.00 H ATOM 608 HB2 LEU A 40 2.871 -9.589 5.947 1.00 0.00 H ATOM 609 HB3 LEU A 40 3.386 -7.892 6.090 1.00 0.00 H ATOM 610 HG LEU A 40 2.771 -9.579 8.509 1.00 0.00 H ATOM 611 HD21 LEU A 40 4.491 -7.120 8.052 1.00 0.00 H ATOM 612 HD22 LEU A 40 2.889 -7.158 8.829 1.00 0.00 H ATOM 613 HD23 LEU A 40 4.274 -7.965 9.604 1.00 0.00 H ATOM 614 HD11 LEU A 40 4.460 -10.780 7.214 1.00 0.00 H ATOM 615 HD12 LEU A 40 5.434 -9.295 7.082 1.00 0.00 H ATOM 616 HD13 LEU A 40 5.181 -10.056 8.672 1.00 0.00 H ATOM 617 H LEU A 40 0.899 -10.366 6.758 1.00 0.00 H ATOM 618 N CYS A 41 0.482 -8.165 4.358 1.00 23.15 N ATOM 619 CA CYS A 41 0.099 -7.531 3.101 1.00 40.30 C ATOM 620 C CYS A 41 -1.159 -6.688 3.280 1.00 43.43 C ATOM 621 O CYS A 41 -1.205 -5.529 2.867 1.00 30.05 O ATOM 622 CB CYS A 41 -0.130 -8.589 2.020 1.00 14.25 C ATOM 623 SG CYS A 41 1.197 -9.811 1.890 1.00 51.34 S ATOM 624 HA CYS A 41 0.913 -6.876 2.790 1.00 0.00 H ATOM 625 HB2 CYS A 41 -0.225 -8.083 1.059 1.00 0.00 H ATOM 626 HB3 CYS A 41 -1.058 -9.114 2.246 1.00 0.00 H ATOM 627 HG CYS A 41 1.325 -10.478 3.091 1.00 0.00 H ATOM 628 H CYS A 41 0.349 -9.190 4.470 1.00 0.00 H ATOM 629 N GLU A 42 -2.178 -7.279 3.896 1.00 43.32 N ATOM 630 CA GLU A 42 -3.438 -6.581 4.125 1.00 74.12 C ATOM 631 C GLU A 42 -3.247 -5.418 5.094 1.00 31.21 C ATOM 632 O GLU A 42 -4.001 -4.446 5.069 1.00 62.03 O ATOM 633 CB GLU A 42 -4.489 -7.549 4.674 1.00 73.11 C ATOM 634 CG GLU A 42 -5.687 -7.729 3.757 1.00 22.41 C ATOM 635 CD GLU A 42 -6.722 -8.679 4.329 1.00 53.33 C ATOM 636 OE1 GLU A 42 -7.660 -9.047 3.592 1.00 20.42 O ATOM 637 OE2 GLU A 42 -6.595 -9.052 5.514 1.00 32.31 O ATOM 638 HA GLU A 42 -3.783 -6.183 3.171 1.00 0.00 H ATOM 639 HB2 GLU A 42 -4.019 -8.521 4.822 1.00 0.00 H ATOM 640 HB3 GLU A 42 -4.842 -7.168 5.632 1.00 0.00 H ATOM 641 HG2 GLU A 42 -6.155 -6.757 3.598 1.00 0.00 H ATOM 642 HG3 GLU A 42 -5.340 -8.124 2.802 1.00 0.00 H ATOM 643 H GLU A 42 -2.074 -8.261 4.222 1.00 0.00 H ATOM 644 N GLU A 43 -2.234 -5.526 5.948 1.00 75.50 N ATOM 645 CA GLU A 43 -1.945 -4.485 6.926 1.00 55.33 C ATOM 646 C GLU A 43 -1.765 -3.132 6.244 1.00 61.04 C ATOM 647 O GLU A 43 -2.022 -2.086 6.838 1.00 10.25 O ATOM 648 CB GLU A 43 -0.687 -4.837 7.724 1.00 64.32 C ATOM 649 CG GLU A 43 -0.898 -5.958 8.728 1.00 22.03 C ATOM 650 CD GLU A 43 -1.054 -5.449 10.147 1.00 61.21 C ATOM 651 OE1 GLU A 43 -0.044 -5.010 10.735 1.00 22.13 O ATOM 652 OE2 GLU A 43 -2.187 -5.489 10.671 1.00 43.33 O ATOM 653 HA GLU A 43 -2.793 -4.419 7.608 1.00 0.00 H ATOM 654 HB2 GLU A 43 0.091 -5.142 7.024 1.00 0.00 H ATOM 655 HB3 GLU A 43 -0.360 -3.948 8.263 1.00 0.00 H ATOM 656 HG2 GLU A 43 -1.798 -6.508 8.453 1.00 0.00 H ATOM 657 HG3 GLU A 43 -0.039 -6.628 8.690 1.00 0.00 H ATOM 658 H GLU A 43 -1.633 -6.374 5.917 1.00 0.00 H ATOM 659 N ALA A 44 -1.322 -3.163 4.992 1.00 45.31 N ATOM 660 CA ALA A 44 -1.109 -1.940 4.226 1.00 20.31 C ATOM 661 C ALA A 44 -2.349 -1.053 4.253 1.00 10.22 C ATOM 662 O ALA A 44 -2.250 0.163 4.422 1.00 23.32 O ATOM 663 CB ALA A 44 -0.728 -2.275 2.792 1.00 20.01 C ATOM 664 HA ALA A 44 -0.290 -1.389 4.688 1.00 0.00 H ATOM 665 HB1 ALA A 44 0.190 -2.862 2.789 1.00 0.00 H ATOM 666 HB2 ALA A 44 -1.530 -2.850 2.329 1.00 0.00 H ATOM 667 HB3 ALA A 44 -0.573 -1.352 2.234 1.00 0.00 H ATOM 668 H ALA A 44 -1.122 -4.082 4.547 1.00 0.00 H ATOM 669 N ALA A 45 -3.515 -1.668 4.085 1.00 12.32 N ATOM 670 CA ALA A 45 -4.774 -0.932 4.092 1.00 24.33 C ATOM 671 C ALA A 45 -5.164 -0.526 5.508 1.00 41.32 C ATOM 672 O ALA A 45 -5.914 0.431 5.706 1.00 44.31 O ATOM 673 CB ALA A 45 -5.876 -1.769 3.457 1.00 13.33 C ATOM 674 HA ALA A 45 -4.640 -0.023 3.506 1.00 0.00 H ATOM 675 HB1 ALA A 45 -5.605 -2.004 2.428 1.00 0.00 H ATOM 676 HB2 ALA A 45 -5.999 -2.693 4.021 1.00 0.00 H ATOM 677 HB3 ALA A 45 -6.810 -1.207 3.469 1.00 0.00 H ATOM 678 H ALA A 45 -3.530 -2.698 3.945 1.00 0.00 H ATOM 679 N LYS A 46 -4.653 -1.257 6.491 1.00 12.55 N ATOM 680 CA LYS A 46 -4.946 -0.972 7.891 1.00 45.34 C ATOM 681 C LYS A 46 -4.296 0.336 8.328 1.00 10.12 C ATOM 682 O LYS A 46 -4.933 1.178 8.962 1.00 42.01 O ATOM 683 CB LYS A 46 -4.459 -2.118 8.780 1.00 24.31 C ATOM 684 CG LYS A 46 -5.546 -2.707 9.662 1.00 34.33 C ATOM 685 CD LYS A 46 -5.933 -4.106 9.213 1.00 65.23 C ATOM 686 CE LYS A 46 -6.865 -4.067 8.011 1.00 1.24 C ATOM 687 NZ LYS A 46 -6.913 -5.376 7.303 1.00 75.42 N ATOM 688 HA LYS A 46 -6.026 -0.873 7.996 1.00 0.00 H ATOM 689 HB2 LYS A 46 -4.068 -2.909 8.140 1.00 0.00 H ATOM 690 HB3 LYS A 46 -3.661 -1.743 9.420 1.00 0.00 H ATOM 691 HG2 LYS A 46 -5.183 -2.752 10.689 1.00 0.00 H ATOM 692 HG3 LYS A 46 -6.425 -2.065 9.617 1.00 0.00 H ATOM 693 HD2 LYS A 46 -5.030 -4.655 8.944 1.00 0.00 H ATOM 694 HD3 LYS A 46 -6.435 -4.616 10.035 1.00 0.00 H ATOM 695 HE2 LYS A 46 -6.514 -3.303 7.317 1.00 0.00 H ATOM 696 HE3 LYS A 46 -7.869 -3.813 8.351 1.00 0.00 H ATOM 697 HZ1 LYS A 46 -5.960 -5.623 6.969 1.00 0.00 H ATOM 698 HZ2 LYS A 46 -7.254 -6.110 7.956 1.00 0.00 H ATOM 699 HZ3 LYS A 46 -7.559 -5.306 6.491 1.00 0.00 H ATOM 700 H LYS A 46 -4.027 -2.054 6.257 1.00 0.00 H ATOM 701 N LYS A 47 -3.022 0.502 7.985 1.00 35.30 N ATOM 702 CA LYS A 47 -2.285 1.708 8.339 1.00 12.44 C ATOM 703 C LYS A 47 -2.840 2.922 7.601 1.00 51.05 C ATOM 704 O LYS A 47 -3.241 3.907 8.220 1.00 63.35 O ATOM 705 CB LYS A 47 -0.799 1.537 8.015 1.00 2.12 C ATOM 706 CG LYS A 47 -0.008 0.870 9.127 1.00 3.33 C ATOM 707 CD LYS A 47 -0.243 -0.631 9.157 1.00 73.11 C ATOM 708 CE LYS A 47 0.344 -1.263 10.409 1.00 52.11 C ATOM 709 NZ LYS A 47 -0.374 -0.827 11.639 1.00 11.30 N ATOM 710 HA LYS A 47 -2.401 1.872 9.410 1.00 0.00 H ATOM 711 HB2 LYS A 47 -0.710 0.928 7.115 1.00 0.00 H ATOM 712 HB3 LYS A 47 -0.371 2.522 7.830 1.00 0.00 H ATOM 713 HG2 LYS A 47 1.054 1.059 8.969 1.00 0.00 H ATOM 714 HG3 LYS A 47 -0.313 1.295 10.083 1.00 0.00 H ATOM 715 HD2 LYS A 47 -1.316 -0.822 9.133 1.00 0.00 H ATOM 716 HD3 LYS A 47 0.224 -1.080 8.281 1.00 0.00 H ATOM 717 HE2 LYS A 47 1.392 -0.975 10.491 1.00 0.00 H ATOM 718 HE3 LYS A 47 0.272 -2.347 10.324 1.00 0.00 H ATOM 719 HZ1 LYS A 47 -0.305 0.207 11.732 1.00 0.00 H ATOM 720 HZ2 LYS A 47 -1.374 -1.104 11.572 1.00 0.00 H ATOM 721 HZ3 LYS A 47 0.057 -1.280 12.470 1.00 0.00 H ATOM 722 H LYS A 47 -2.539 -0.248 7.450 1.00 0.00 H ATOM 723 N ALA A 48 -2.862 2.844 6.275 1.00 25.23 N ATOM 724 CA ALA A 48 -3.371 3.934 5.452 1.00 12.13 C ATOM 725 C ALA A 48 -4.786 4.321 5.870 1.00 23.04 C ATOM 726 O ALA A 48 -5.205 5.463 5.686 1.00 43.13 O ATOM 727 CB ALA A 48 -3.340 3.545 3.981 1.00 13.12 C ATOM 728 HA ALA A 48 -2.726 4.800 5.600 1.00 0.00 H ATOM 729 HB1 ALA A 48 -2.314 3.325 3.686 1.00 0.00 H ATOM 730 HB2 ALA A 48 -3.961 2.662 3.827 1.00 0.00 H ATOM 731 HB3 ALA A 48 -3.723 4.370 3.380 1.00 0.00 H ATOM 732 H ALA A 48 -2.507 1.983 5.812 1.00 0.00 H ATOM 733 N GLU A 49 -5.516 3.362 6.430 1.00 35.13 N ATOM 734 CA GLU A 49 -6.884 3.603 6.871 1.00 53.34 C ATOM 735 C GLU A 49 -6.908 4.511 8.098 1.00 54.43 C ATOM 736 O GLU A 49 -7.710 5.441 8.178 1.00 15.33 O ATOM 737 CB GLU A 49 -7.583 2.280 7.189 1.00 73.35 C ATOM 738 CG GLU A 49 -8.936 2.451 7.860 1.00 11.10 C ATOM 739 CD GLU A 49 -8.845 2.410 9.374 1.00 42.34 C ATOM 740 OE1 GLU A 49 -9.313 3.370 10.021 1.00 14.31 O ATOM 741 OE2 GLU A 49 -8.308 1.419 9.910 1.00 65.11 O ATOM 742 HA GLU A 49 -7.417 4.101 6.061 1.00 0.00 H ATOM 743 HB2 GLU A 49 -7.727 1.734 6.257 1.00 0.00 H ATOM 744 HB3 GLU A 49 -6.940 1.701 7.852 1.00 0.00 H ATOM 745 HG2 GLU A 49 -9.356 3.412 7.561 1.00 0.00 H ATOM 746 HG3 GLU A 49 -9.595 1.649 7.528 1.00 0.00 H ATOM 747 H GLU A 49 -5.101 2.417 6.557 1.00 0.00 H ATOM 748 N GLU A 50 -6.023 4.232 9.051 1.00 44.15 N ATOM 749 CA GLU A 50 -5.945 5.023 10.273 1.00 14.12 C ATOM 750 C GLU A 50 -5.774 6.505 9.953 1.00 11.34 C ATOM 751 O GLU A 50 -6.509 7.351 10.464 1.00 32.03 O ATOM 752 CB GLU A 50 -4.783 4.540 11.145 1.00 5.13 C ATOM 753 CG GLU A 50 -5.224 3.932 12.465 1.00 35.11 C ATOM 754 CD GLU A 50 -4.209 4.142 13.572 1.00 75.45 C ATOM 755 OE1 GLU A 50 -3.054 4.499 13.257 1.00 72.20 O ATOM 756 OE2 GLU A 50 -4.569 3.950 14.752 1.00 31.10 O ATOM 757 HA GLU A 50 -6.879 4.894 10.820 1.00 0.00 H ATOM 758 HB2 GLU A 50 -4.224 3.788 10.589 1.00 0.00 H ATOM 759 HB3 GLU A 50 -4.134 5.390 11.357 1.00 0.00 H ATOM 760 HG2 GLU A 50 -6.167 4.391 12.763 1.00 0.00 H ATOM 761 HG3 GLU A 50 -5.371 2.861 12.325 1.00 0.00 H ATOM 762 H GLU A 50 -5.372 3.431 8.921 1.00 0.00 H ATOM 763 N LEU A 51 -4.798 6.811 9.106 1.00 40.51 N ATOM 764 CA LEU A 51 -4.528 8.192 8.717 1.00 44.14 C ATOM 765 C LEU A 51 -5.606 8.712 7.772 1.00 61.02 C ATOM 766 O LEU A 51 -5.918 9.903 7.763 1.00 12.55 O ATOM 767 CB LEU A 51 -3.156 8.295 8.049 1.00 10.43 C ATOM 768 CG LEU A 51 -2.919 7.371 6.854 1.00 30.22 C ATOM 769 CD1 LEU A 51 -3.290 8.070 5.557 1.00 41.42 C ATOM 770 CD2 LEU A 51 -1.469 6.908 6.817 1.00 52.42 C ATOM 771 HA LEU A 51 -4.534 8.805 9.618 1.00 0.00 H ATOM 772 HB2 LEU A 51 -3.028 9.322 7.707 1.00 0.00 H ATOM 773 HB3 LEU A 51 -2.401 8.067 8.801 1.00 0.00 H ATOM 774 HG LEU A 51 -3.557 6.494 6.965 1.00 0.00 H ATOM 775 HD21 LEU A 51 -0.814 7.775 6.730 1.00 0.00 H ATOM 776 HD22 LEU A 51 -1.238 6.367 7.735 1.00 0.00 H ATOM 777 HD23 LEU A 51 -1.320 6.252 5.960 1.00 0.00 H ATOM 778 HD11 LEU A 51 -4.343 8.350 5.585 1.00 0.00 H ATOM 779 HD12 LEU A 51 -2.678 8.964 5.440 1.00 0.00 H ATOM 780 HD13 LEU A 51 -3.114 7.396 4.719 1.00 0.00 H ATOM 781 H LEU A 51 -4.212 6.048 8.710 1.00 0.00 H ATOM 782 N PHE A 52 -6.175 7.811 6.978 1.00 60.44 N ATOM 783 CA PHE A 52 -7.220 8.178 6.030 1.00 71.32 C ATOM 784 C PHE A 52 -8.429 8.765 6.753 1.00 3.01 C ATOM 785 O PHE A 52 -9.209 9.519 6.172 1.00 62.34 O ATOM 786 CB PHE A 52 -7.645 6.958 5.209 1.00 52.32 C ATOM 787 CG PHE A 52 -8.844 7.209 4.340 1.00 15.10 C ATOM 788 CD1 PHE A 52 -8.762 8.065 3.254 1.00 61.04 C ATOM 789 CD2 PHE A 52 -10.053 6.587 4.609 1.00 52.44 C ATOM 790 CE1 PHE A 52 -9.865 8.299 2.454 1.00 22.22 C ATOM 791 CE2 PHE A 52 -11.159 6.816 3.812 1.00 3.24 C ATOM 792 CZ PHE A 52 -11.064 7.672 2.732 1.00 61.14 C ATOM 793 HA PHE A 52 -6.817 8.936 5.359 1.00 0.00 H ATOM 794 HB2 PHE A 52 -6.812 6.664 4.571 1.00 0.00 H ATOM 795 HB3 PHE A 52 -7.880 6.145 5.895 1.00 0.00 H ATOM 796 HD2 PHE A 52 -10.133 5.909 5.459 1.00 0.00 H ATOM 797 HE2 PHE A 52 -12.105 6.322 4.035 1.00 0.00 H ATOM 798 HZ PHE A 52 -11.934 7.852 2.100 1.00 0.00 H ATOM 799 HE1 PHE A 52 -9.789 8.978 1.605 1.00 0.00 H ATOM 800 HD1 PHE A 52 -7.817 8.560 3.028 1.00 0.00 H ATOM 801 H PHE A 52 -5.867 6.819 7.034 1.00 0.00 H ATOM 802 N LYS A 53 -8.578 8.412 8.025 1.00 53.22 N ATOM 803 CA LYS A 53 -9.690 8.903 8.830 1.00 72.14 C ATOM 804 C LYS A 53 -9.529 10.389 9.134 1.00 14.14 C ATOM 805 O LYS A 53 -10.405 11.196 8.822 1.00 3.21 O ATOM 806 CB LYS A 53 -9.790 8.112 10.137 1.00 62.11 C ATOM 807 CG LYS A 53 -10.753 8.717 11.142 1.00 72.04 C ATOM 808 CD LYS A 53 -10.040 9.657 12.101 1.00 75.45 C ATOM 809 CE LYS A 53 -10.223 9.221 13.546 1.00 12.03 C ATOM 810 NZ LYS A 53 -9.360 8.057 13.888 1.00 1.04 N ATOM 811 HA LYS A 53 -10.607 8.765 8.258 1.00 0.00 H ATOM 812 HB2 LYS A 53 -10.125 7.101 9.904 1.00 0.00 H ATOM 813 HB3 LYS A 53 -8.800 8.069 10.591 1.00 0.00 H ATOM 814 HG2 LYS A 53 -11.522 9.274 10.606 1.00 0.00 H ATOM 815 HG3 LYS A 53 -11.219 7.915 11.713 1.00 0.00 H ATOM 816 HD2 LYS A 53 -8.976 9.665 11.865 1.00 0.00 H ATOM 817 HD3 LYS A 53 -10.445 10.662 11.980 1.00 0.00 H ATOM 818 HE2 LYS A 53 -11.266 8.945 13.702 1.00 0.00 H ATOM 819 HE3 LYS A 53 -9.967 10.054 14.201 1.00 0.00 H ATOM 820 HZ1 LYS A 53 -9.602 7.255 13.272 1.00 0.00 H ATOM 821 HZ2 LYS A 53 -8.362 8.314 13.749 1.00 0.00 H ATOM 822 HZ3 LYS A 53 -9.515 7.792 14.882 1.00 0.00 H ATOM 823 H LYS A 53 -7.884 7.769 8.457 1.00 0.00 H ATOM 824 N LEU A 54 -8.403 10.743 9.744 1.00 0.42 N ATOM 825 CA LEU A 54 -8.125 12.133 10.089 1.00 0.34 C ATOM 826 C LEU A 54 -7.801 12.949 8.841 1.00 13.45 C ATOM 827 O LEU A 54 -7.991 14.165 8.817 1.00 43.30 O ATOM 828 CB LEU A 54 -6.961 12.211 11.080 1.00 64.24 C ATOM 829 CG LEU A 54 -7.239 12.958 12.384 1.00 45.24 C ATOM 830 CD1 LEU A 54 -7.758 14.359 12.096 1.00 53.04 C ATOM 831 CD2 LEU A 54 -8.232 12.186 13.241 1.00 40.34 C ATOM 832 HA LEU A 54 -9.018 12.552 10.553 1.00 0.00 H ATOM 833 HB2 LEU A 54 -6.671 11.192 11.335 1.00 0.00 H ATOM 834 HB3 LEU A 54 -6.130 12.710 10.580 1.00 0.00 H ATOM 835 HG LEU A 54 -6.303 13.045 12.937 1.00 0.00 H ATOM 836 HD21 LEU A 54 -9.167 12.068 12.694 1.00 0.00 H ATOM 837 HD22 LEU A 54 -7.821 11.204 13.476 1.00 0.00 H ATOM 838 HD23 LEU A 54 -8.416 12.735 14.165 1.00 0.00 H ATOM 839 HD11 LEU A 54 -7.012 14.911 11.523 1.00 0.00 H ATOM 840 HD12 LEU A 54 -8.682 14.292 11.522 1.00 0.00 H ATOM 841 HD13 LEU A 54 -7.950 14.875 13.037 1.00 0.00 H ATOM 842 H LEU A 54 -7.703 10.012 9.981 1.00 0.00 H ATOM 843 N ALA A 55 -7.311 12.272 7.808 1.00 22.12 N ATOM 844 CA ALA A 55 -6.964 12.934 6.556 1.00 72.44 C ATOM 845 C ALA A 55 -8.156 13.697 5.990 1.00 73.35 C ATOM 846 O ALA A 55 -7.990 14.656 5.238 1.00 44.23 O ATOM 847 CB ALA A 55 -6.457 11.917 5.545 1.00 62.13 C ATOM 848 HA ALA A 55 -6.171 13.653 6.761 1.00 0.00 H ATOM 849 HB1 ALA A 55 -5.572 11.421 5.943 1.00 0.00 H ATOM 850 HB2 ALA A 55 -7.235 11.178 5.354 1.00 0.00 H ATOM 851 HB3 ALA A 55 -6.202 12.426 4.616 1.00 0.00 H ATOM 852 H ALA A 55 -7.172 11.245 7.895 1.00 0.00 H ATOM 853 N GLU A 56 -9.359 13.263 6.356 1.00 52.33 N ATOM 854 CA GLU A 56 -10.580 13.906 5.883 1.00 24.34 C ATOM 855 C GLU A 56 -10.835 15.209 6.634 1.00 70.33 C ATOM 856 O GLU A 56 -11.484 16.117 6.117 1.00 52.20 O ATOM 857 CB GLU A 56 -11.775 12.965 6.048 1.00 22.22 C ATOM 858 CG GLU A 56 -11.444 11.507 5.778 1.00 61.14 C ATOM 859 CD GLU A 56 -12.677 10.624 5.752 1.00 30.14 C ATOM 860 OE1 GLU A 56 -13.756 11.125 5.372 1.00 32.41 O ATOM 861 OE2 GLU A 56 -12.563 9.434 6.113 1.00 60.21 O ATOM 862 HA GLU A 56 -10.453 14.137 4.825 1.00 0.00 H ATOM 863 HB2 GLU A 56 -12.143 13.051 7.070 1.00 0.00 H ATOM 864 HB3 GLU A 56 -12.556 13.275 5.354 1.00 0.00 H ATOM 865 HG2 GLU A 56 -10.943 11.435 4.813 1.00 0.00 H ATOM 866 HG3 GLU A 56 -10.775 11.150 6.561 1.00 0.00 H ATOM 867 H GLU A 56 -9.431 12.445 6.995 1.00 0.00 H ATOM 868 N GLU A 57 -10.321 15.290 7.857 1.00 2.22 N ATOM 869 CA GLU A 57 -10.496 16.481 8.680 1.00 14.24 C ATOM 870 C GLU A 57 -9.867 17.700 8.013 1.00 51.45 C ATOM 871 O GLU A 57 -10.496 18.752 7.898 1.00 71.04 O ATOM 872 CB GLU A 57 -9.876 16.267 10.063 1.00 71.41 C ATOM 873 CG GLU A 57 -10.124 17.417 11.026 1.00 24.01 C ATOM 874 CD GLU A 57 -11.099 17.055 12.128 1.00 51.54 C ATOM 875 OE1 GLU A 57 -12.128 16.416 11.824 1.00 21.53 O ATOM 876 OE2 GLU A 57 -10.836 17.413 13.296 1.00 45.01 O ATOM 877 HA GLU A 57 -11.565 16.660 8.792 1.00 0.00 H ATOM 878 HB2 GLU A 57 -10.299 15.359 10.494 1.00 0.00 H ATOM 879 HB3 GLU A 57 -8.800 16.144 9.943 1.00 0.00 H ATOM 880 HG2 GLU A 57 -9.175 17.704 11.479 1.00 0.00 H ATOM 881 HG3 GLU A 57 -10.527 18.261 10.466 1.00 0.00 H ATOM 882 H GLU A 57 -9.782 14.485 8.236 1.00 0.00 H ATOM 883 N ARG A 58 -8.621 17.552 7.576 1.00 63.21 N ATOM 884 CA ARG A 58 -7.906 18.641 6.921 1.00 1.33 C ATOM 885 C ARG A 58 -8.360 18.796 5.472 1.00 51.41 C ATOM 886 O ARG A 58 -8.198 19.859 4.871 1.00 53.25 O ATOM 887 CB ARG A 58 -6.398 18.391 6.970 1.00 25.52 C ATOM 888 CG ARG A 58 -5.975 17.083 6.319 1.00 51.11 C ATOM 889 CD ARG A 58 -5.228 16.191 7.297 1.00 33.54 C ATOM 890 NE ARG A 58 -4.092 16.878 7.907 1.00 22.32 N ATOM 891 CZ ARG A 58 -2.911 17.014 7.314 1.00 72.34 C ATOM 892 NH1 ARG A 58 -2.713 16.515 6.102 1.00 44.14 N ATOM 893 NH2 ARG A 58 -1.927 17.652 7.933 1.00 31.01 N ATOM 894 HA ARG A 58 -8.132 19.564 7.455 1.00 0.00 H ATOM 895 HB2 ARG A 58 -5.896 19.210 6.455 1.00 0.00 H ATOM 896 HB3 ARG A 58 -6.085 18.373 8.014 1.00 0.00 H ATOM 897 HG2 ARG A 58 -6.863 16.558 5.968 1.00 0.00 H ATOM 898 HG3 ARG A 58 -5.325 17.302 5.472 1.00 0.00 H ATOM 899 HD2 ARG A 58 -4.864 15.312 6.765 1.00 0.00 H ATOM 900 HD3 ARG A 58 -5.915 15.879 8.084 1.00 0.00 H ATOM 901 HE ARG A 58 -4.215 17.283 8.857 1.00 0.00 H ATOM 902 HH12 ARG A 58 -1.787 16.623 5.640 1.00 0.00 H ATOM 903 HH11 ARG A 58 -3.483 16.016 5.613 1.00 0.00 H ATOM 904 HH22 ARG A 58 -1.003 17.758 7.468 1.00 0.00 H ATOM 905 HH21 ARG A 58 -2.080 18.046 8.883 1.00 0.00 H ATOM 906 H ARG A 58 -8.144 16.637 7.704 1.00 0.00 H ATOM 907 N LEU A 59 -8.927 17.731 4.918 1.00 54.52 N ATOM 908 CA LEU A 59 -9.405 17.749 3.540 1.00 71.20 C ATOM 909 C LEU A 59 -10.819 18.315 3.460 1.00 11.40 C ATOM 910 O LEU A 59 -11.016 19.470 3.082 1.00 62.54 O ATOM 911 CB LEU A 59 -9.375 16.337 2.951 1.00 62.01 C ATOM 912 CG LEU A 59 -8.127 15.971 2.146 1.00 51.54 C ATOM 913 CD1 LEU A 59 -6.869 16.286 2.940 1.00 13.24 C ATOM 914 CD2 LEU A 59 -8.158 14.502 1.752 1.00 72.12 C ATOM 915 HA LEU A 59 -8.743 18.393 2.961 1.00 0.00 H ATOM 916 HB2 LEU A 59 -9.459 15.630 3.776 1.00 0.00 H ATOM 917 HB3 LEU A 59 -10.238 16.231 2.294 1.00 0.00 H ATOM 918 HG LEU A 59 -8.117 16.570 1.235 1.00 0.00 H ATOM 919 HD21 LEU A 59 -8.193 13.887 2.651 1.00 0.00 H ATOM 920 HD22 LEU A 59 -9.041 14.309 1.143 1.00 0.00 H ATOM 921 HD23 LEU A 59 -7.262 14.262 1.180 1.00 0.00 H ATOM 922 HD11 LEU A 59 -6.843 17.351 3.170 1.00 0.00 H ATOM 923 HD12 LEU A 59 -6.873 15.713 3.867 1.00 0.00 H ATOM 924 HD13 LEU A 59 -5.992 16.019 2.350 1.00 0.00 H ATOM 925 H LEU A 59 -9.033 16.863 5.480 1.00 0.00 H ATOM 926 N LYS A 60 -11.800 17.497 3.822 1.00 33.45 N ATOM 927 CA LYS A 60 -13.196 17.916 3.797 1.00 22.11 C ATOM 928 C LYS A 60 -13.682 18.278 5.196 1.00 50.51 C ATOM 929 O LYS A 60 -12.907 18.277 6.153 1.00 35.53 O ATOM 930 CB LYS A 60 -14.073 16.805 3.214 1.00 63.10 C ATOM 931 CG LYS A 60 -13.826 15.443 3.840 1.00 40.12 C ATOM 932 CD LYS A 60 -13.271 14.455 2.828 1.00 54.14 C ATOM 933 CE LYS A 60 -14.259 14.198 1.701 1.00 61.14 C ATOM 934 NZ LYS A 60 -14.034 12.874 1.057 1.00 3.14 N ATOM 935 HA LYS A 60 -13.271 18.801 3.165 1.00 0.00 H ATOM 936 HB2 LYS A 60 -15.118 17.072 3.371 1.00 0.00 H ATOM 937 HB3 LYS A 60 -13.874 16.734 2.145 1.00 0.00 H ATOM 938 HG2 LYS A 60 -13.112 15.553 4.656 1.00 0.00 H ATOM 939 HG3 LYS A 60 -14.767 15.057 4.232 1.00 0.00 H ATOM 940 HD2 LYS A 60 -12.350 14.858 2.407 1.00 0.00 H ATOM 941 HD3 LYS A 60 -13.056 13.513 3.333 1.00 0.00 H ATOM 942 HE2 LYS A 60 -14.148 14.979 0.949 1.00 0.00 H ATOM 943 HE3 LYS A 60 -15.271 14.226 2.106 1.00 0.00 H ATOM 944 HZ1 LYS A 60 -13.072 12.841 0.662 1.00 0.00 H ATOM 945 HZ2 LYS A 60 -14.145 12.122 1.766 1.00 0.00 H ATOM 946 HZ3 LYS A 60 -14.728 12.738 0.294 1.00 0.00 H ATOM 947 H LYS A 60 -11.566 16.532 4.132 1.00 0.00 H ATOM 948 N LYS A 61 -14.969 18.590 5.309 1.00 30.24 N ATOM 949 CA LYS A 61 -15.559 18.953 6.592 1.00 1.11 C ATOM 950 C LYS A 61 -16.591 17.918 7.028 1.00 61.50 C ATOM 951 O LYS A 61 -17.783 18.060 6.752 1.00 74.13 O ATOM 952 CB LYS A 61 -16.212 20.333 6.503 1.00 53.33 C ATOM 953 CG LYS A 61 -15.280 21.473 6.880 1.00 61.30 C ATOM 954 CD LYS A 61 -15.599 22.736 6.098 1.00 63.22 C ATOM 955 CE LYS A 61 -16.289 23.772 6.972 1.00 42.05 C ATOM 956 NZ LYS A 61 -16.893 24.866 6.162 1.00 44.45 N ATOM 957 HA LYS A 61 -14.762 18.982 7.335 1.00 0.00 H ATOM 958 HB2 LYS A 61 -16.551 20.489 5.479 1.00 0.00 H ATOM 959 HB3 LYS A 61 -17.070 20.352 7.175 1.00 0.00 H ATOM 960 HG2 LYS A 61 -15.386 21.680 7.945 1.00 0.00 H ATOM 961 HG3 LYS A 61 -14.253 21.175 6.669 1.00 0.00 H ATOM 962 HD2 LYS A 61 -14.671 23.158 5.713 1.00 0.00 H ATOM 963 HD3 LYS A 61 -16.254 22.481 5.265 1.00 0.00 H ATOM 964 HE2 LYS A 61 -15.556 24.202 7.655 1.00 0.00 H ATOM 965 HE3 LYS A 61 -17.076 23.282 7.546 1.00 0.00 H ATOM 966 HZ1 LYS A 61 -16.148 25.343 5.616 1.00 0.00 H ATOM 967 HZ2 LYS A 61 -17.598 24.465 5.511 1.00 0.00 H ATOM 968 HZ3 LYS A 61 -17.353 25.551 6.795 1.00 0.00 H ATOM 969 H LYS A 61 -15.571 18.575 4.461 1.00 0.00 H ATOM 970 N LEU A 62 -16.126 16.877 7.711 1.00 64.42 N ATOM 971 CA LEU A 62 -17.009 15.819 8.187 1.00 75.42 C ATOM 972 C LEU A 62 -18.015 16.361 9.197 1.00 13.15 C ATOM 973 O LEU A 62 -17.623 16.701 10.314 1.00 61.14 O ATOM 974 CB LEU A 62 -16.192 14.690 8.819 1.00 14.31 C ATOM 975 CG LEU A 62 -15.742 13.576 7.873 1.00 55.34 C ATOM 976 CD1 LEU A 62 -14.688 12.705 8.538 1.00 11.33 C ATOM 977 CD2 LEU A 62 -16.933 12.736 7.435 1.00 21.25 C ATOM 978 HA LEU A 62 -17.558 15.427 7.331 1.00 0.00 H ATOM 979 HB2 LEU A 62 -15.300 15.132 9.262 1.00 0.00 H ATOM 980 HB3 LEU A 62 -16.799 14.237 9.603 1.00 0.00 H ATOM 981 HG LEU A 62 -15.300 14.033 6.988 1.00 0.00 H ATOM 982 HD21 LEU A 62 -17.403 12.289 8.311 1.00 0.00 H ATOM 983 HD22 LEU A 62 -17.653 13.371 6.919 1.00 0.00 H ATOM 984 HD23 LEU A 62 -16.593 11.949 6.762 1.00 0.00 H ATOM 985 HD11 LEU A 62 -13.825 13.317 8.800 1.00 0.00 H ATOM 986 HD12 LEU A 62 -15.105 12.257 9.440 1.00 0.00 H ATOM 987 HD13 LEU A 62 -14.381 11.918 7.849 1.00 0.00 H ATOM 988 H LEU A 62 -15.107 16.816 7.911 1.00 0.00 H TER 989 LEU A 62 ATOM 990 N MET B 1 10.642 -17.134 -9.498 1.00 34.41 N ATOM 991 CA MET B 1 11.005 -17.153 -10.909 1.00 64.31 C ATOM 992 C MET B 1 10.547 -18.448 -11.572 1.00 24.52 C ATOM 993 O MET B 1 11.119 -18.882 -12.573 1.00 10.41 O ATOM 994 CB MET B 1 12.517 -16.991 -11.071 1.00 43.52 C ATOM 995 CG MET B 1 12.942 -16.626 -12.485 1.00 31.32 C ATOM 996 SD MET B 1 14.075 -17.832 -13.202 1.00 71.41 S ATOM 997 CE MET B 1 13.422 -17.963 -14.864 1.00 22.34 C ATOM 998 HA MET B 1 10.503 -16.318 -11.398 1.00 0.00 H ATOM 999 HB2 MET B 1 12.854 -16.205 -10.396 1.00 0.00 H ATOM 1000 HB3 MET B 1 12.996 -17.932 -10.799 1.00 0.00 H ATOM 1001 HG2 MET B 1 13.435 -15.654 -12.462 1.00 0.00 H ATOM 1002 HG3 MET B 1 12.053 -16.566 -13.113 1.00 0.00 H ATOM 1003 HE1 MET B 1 12.389 -18.307 -14.821 1.00 0.00 H ATOM 1004 HE2 MET B 1 13.461 -16.986 -15.347 1.00 0.00 H ATOM 1005 HE3 MET B 1 14.020 -18.675 -15.433 1.00 0.00 H ATOM 1006 HN3 MET B 1 11.094 -17.936 -9.014 1.00 0.00 H ATOM 1007 HN2 MET B 1 9.609 -17.210 -9.406 1.00 0.00 H ATOM 1008 HN1 MET B 1 10.965 -16.243 -9.070 1.00 0.00 H ATOM 1009 N LYS B 2 9.513 -19.063 -11.008 1.00 32.12 N ATOM 1010 CA LYS B 2 8.978 -20.310 -11.543 1.00 51.53 C ATOM 1011 C LYS B 2 8.213 -20.060 -12.840 1.00 1.25 C ATOM 1012 O LYS B 2 8.698 -20.370 -13.928 1.00 25.11 O ATOM 1013 CB LYS B 2 8.059 -20.976 -10.517 1.00 24.32 C ATOM 1014 CG LYS B 2 7.324 -22.191 -11.058 1.00 1.04 C ATOM 1015 CD LYS B 2 8.291 -23.270 -11.514 1.00 24.40 C ATOM 1016 CE LYS B 2 7.662 -24.653 -11.432 1.00 60.41 C ATOM 1017 NZ LYS B 2 8.405 -25.650 -12.252 1.00 60.33 N ATOM 1018 HA LYS B 2 9.815 -20.974 -11.757 1.00 0.00 H ATOM 1019 HB2 LYS B 2 8.663 -21.289 -9.665 1.00 0.00 H ATOM 1020 HB3 LYS B 2 7.321 -20.244 -10.189 1.00 0.00 H ATOM 1021 HG2 LYS B 2 6.685 -22.597 -10.274 1.00 0.00 H ATOM 1022 HG3 LYS B 2 6.709 -21.885 -11.905 1.00 0.00 H ATOM 1023 HD2 LYS B 2 8.581 -23.073 -12.546 1.00 0.00 H ATOM 1024 HD3 LYS B 2 9.176 -23.245 -10.878 1.00 0.00 H ATOM 1025 HE2 LYS B 2 6.635 -24.595 -11.792 1.00 0.00 H ATOM 1026 HE3 LYS B 2 7.663 -24.980 -10.392 1.00 0.00 H ATOM 1027 HZ1 LYS B 2 8.403 -25.349 -13.247 1.00 0.00 H ATOM 1028 HZ2 LYS B 2 9.385 -25.716 -11.911 1.00 0.00 H ATOM 1029 HZ3 LYS B 2 7.944 -26.578 -12.168 1.00 0.00 H ATOM 1030 H LYS B 2 9.074 -18.644 -10.163 1.00 0.00 H ATOM 1031 N LYS B 3 7.017 -19.497 -12.716 1.00 71.04 N ATOM 1032 CA LYS B 3 6.186 -19.203 -13.877 1.00 64.14 C ATOM 1033 C LYS B 3 4.874 -18.546 -13.455 1.00 44.31 C ATOM 1034 O LYS B 3 4.373 -17.648 -14.132 1.00 64.12 O ATOM 1035 CB LYS B 3 5.897 -20.485 -14.661 1.00 51.34 C ATOM 1036 CG LYS B 3 6.648 -20.574 -15.979 1.00 13.42 C ATOM 1037 CD LYS B 3 5.852 -21.337 -17.024 1.00 74.23 C ATOM 1038 CE LYS B 3 6.497 -21.238 -18.398 1.00 33.11 C ATOM 1039 NZ LYS B 3 5.606 -20.562 -19.381 1.00 4.12 N ATOM 1040 HA LYS B 3 6.731 -18.508 -14.516 1.00 0.00 H ATOM 1041 HB2 LYS B 3 6.180 -21.338 -14.044 1.00 0.00 H ATOM 1042 HB3 LYS B 3 4.828 -20.528 -14.869 1.00 0.00 H ATOM 1043 HG2 LYS B 3 6.840 -19.566 -16.346 1.00 0.00 H ATOM 1044 HG3 LYS B 3 7.596 -21.085 -15.813 1.00 0.00 H ATOM 1045 HD2 LYS B 3 5.798 -22.386 -16.732 1.00 0.00 H ATOM 1046 HD3 LYS B 3 4.845 -20.923 -17.074 1.00 0.00 H ATOM 1047 HE2 LYS B 3 6.720 -22.243 -18.756 1.00 0.00 H ATOM 1048 HE3 LYS B 3 7.424 -20.670 -18.313 1.00 0.00 H ATOM 1049 HZ1 LYS B 3 4.722 -21.101 -19.473 1.00 0.00 H ATOM 1050 HZ2 LYS B 3 5.394 -19.599 -19.050 1.00 0.00 H ATOM 1051 HZ3 LYS B 3 6.083 -20.515 -20.304 1.00 0.00 H ATOM 1052 H LYS B 3 6.664 -19.260 -11.767 1.00 0.00 H ATOM 1053 N LEU B 4 4.325 -18.998 -12.334 1.00 24.52 N ATOM 1054 CA LEU B 4 3.073 -18.454 -11.821 1.00 2.21 C ATOM 1055 C LEU B 4 3.283 -17.793 -10.463 1.00 72.04 C ATOM 1056 O LEU B 4 2.547 -16.881 -10.085 1.00 61.20 O ATOM 1057 CB LEU B 4 2.022 -19.559 -11.706 1.00 33.30 C ATOM 1058 CG LEU B 4 1.299 -19.935 -13.000 1.00 30.44 C ATOM 1059 CD1 LEU B 4 0.583 -18.726 -13.581 1.00 22.40 C ATOM 1060 CD2 LEU B 4 2.279 -20.514 -14.010 1.00 12.52 C ATOM 1061 HA LEU B 4 2.720 -17.698 -12.522 1.00 0.00 H ATOM 1062 HB2 LEU B 4 2.518 -20.453 -11.329 1.00 0.00 H ATOM 1063 HB3 LEU B 4 1.271 -19.231 -10.987 1.00 0.00 H ATOM 1064 HG LEU B 4 0.554 -20.697 -12.770 1.00 0.00 H ATOM 1065 HD21 LEU B 4 3.047 -19.774 -14.235 1.00 0.00 H ATOM 1066 HD22 LEU B 4 2.745 -21.406 -13.592 1.00 0.00 H ATOM 1067 HD23 LEU B 4 1.745 -20.775 -14.924 1.00 0.00 H ATOM 1068 HD11 LEU B 4 -0.148 -18.357 -12.861 1.00 0.00 H ATOM 1069 HD12 LEU B 4 1.310 -17.943 -13.796 1.00 0.00 H ATOM 1070 HD13 LEU B 4 0.075 -19.014 -14.501 1.00 0.00 H ATOM 1071 H LEU B 4 4.800 -19.759 -11.808 1.00 0.00 H ATOM 1072 N ARG B 5 4.293 -18.257 -9.734 1.00 32.02 N ATOM 1073 CA ARG B 5 4.600 -17.709 -8.418 1.00 35.53 C ATOM 1074 C ARG B 5 5.209 -16.316 -8.538 1.00 13.44 C ATOM 1075 O ARG B 5 4.827 -15.397 -7.814 1.00 52.41 O ATOM 1076 CB ARG B 5 5.560 -18.635 -7.669 1.00 74.31 C ATOM 1077 CG ARG B 5 5.172 -20.104 -7.742 1.00 44.23 C ATOM 1078 CD ARG B 5 6.014 -20.949 -6.800 1.00 74.31 C ATOM 1079 NE ARG B 5 5.190 -21.801 -5.946 1.00 32.24 N ATOM 1080 CZ ARG B 5 4.553 -22.882 -6.382 1.00 21.34 C ATOM 1081 NH1 ARG B 5 4.644 -23.241 -7.654 1.00 24.43 N ATOM 1082 NH2 ARG B 5 3.822 -23.606 -5.544 1.00 34.42 N ATOM 1083 HA ARG B 5 3.669 -17.632 -7.857 1.00 0.00 H ATOM 1084 HB2 ARG B 5 6.555 -18.520 -8.098 1.00 0.00 H ATOM 1085 HB3 ARG B 5 5.581 -18.336 -6.621 1.00 0.00 H ATOM 1086 HG2 ARG B 5 4.122 -20.208 -7.469 1.00 0.00 H ATOM 1087 HG3 ARG B 5 5.317 -20.459 -8.762 1.00 0.00 H ATOM 1088 HD2 ARG B 5 6.608 -20.288 -6.170 1.00 0.00 H ATOM 1089 HD3 ARG B 5 6.678 -21.580 -7.391 1.00 0.00 H ATOM 1090 HE ARG B 5 5.097 -21.547 -4.942 1.00 0.00 H ATOM 1091 HH12 ARG B 5 4.144 -24.088 -7.992 1.00 0.00 H ATOM 1092 HH11 ARG B 5 5.215 -22.676 -8.314 1.00 0.00 H ATOM 1093 HH22 ARG B 5 3.324 -24.452 -5.886 1.00 0.00 H ATOM 1094 HH21 ARG B 5 3.747 -23.327 -4.545 1.00 0.00 H ATOM 1095 H ARG B 5 4.878 -19.029 -10.111 1.00 0.00 H ATOM 1096 N GLU B 6 6.160 -16.168 -9.455 1.00 1.13 N ATOM 1097 CA GLU B 6 6.824 -14.887 -9.668 1.00 11.02 C ATOM 1098 C GLU B 6 5.803 -13.782 -9.921 1.00 40.31 C ATOM 1099 O GLU B 6 6.051 -12.614 -9.621 1.00 51.13 O ATOM 1100 CB GLU B 6 7.795 -14.980 -10.847 1.00 14.22 C ATOM 1101 CG GLU B 6 9.118 -14.273 -10.602 1.00 43.12 C ATOM 1102 CD GLU B 6 9.859 -13.961 -11.887 1.00 62.44 C ATOM 1103 OE1 GLU B 6 9.524 -14.569 -12.926 1.00 44.25 O ATOM 1104 OE2 GLU B 6 10.773 -13.111 -11.855 1.00 43.20 O ATOM 1105 HA GLU B 6 7.384 -14.642 -8.765 1.00 0.00 H ATOM 1106 HB2 GLU B 6 7.998 -16.033 -11.045 1.00 0.00 H ATOM 1107 HB3 GLU B 6 7.321 -14.532 -11.720 1.00 0.00 H ATOM 1108 HG2 GLU B 6 8.923 -13.339 -10.076 1.00 0.00 H ATOM 1109 HG3 GLU B 6 9.747 -14.913 -9.983 1.00 0.00 H ATOM 1110 H GLU B 6 6.437 -16.986 -10.035 1.00 0.00 H ATOM 1111 N GLU B 7 4.655 -14.159 -10.475 1.00 62.30 N ATOM 1112 CA GLU B 7 3.598 -13.199 -10.770 1.00 32.10 C ATOM 1113 C GLU B 7 3.214 -12.411 -9.521 1.00 61.31 C ATOM 1114 O GLU B 7 2.796 -11.257 -9.606 1.00 2.21 O ATOM 1115 CB GLU B 7 2.368 -13.918 -11.331 1.00 10.14 C ATOM 1116 CG GLU B 7 2.641 -14.675 -12.620 1.00 2.03 C ATOM 1117 CD GLU B 7 2.630 -13.773 -13.839 1.00 72.32 C ATOM 1118 OE1 GLU B 7 3.719 -13.504 -14.387 1.00 12.34 O ATOM 1119 OE2 GLU B 7 1.533 -13.338 -14.246 1.00 61.31 O ATOM 1120 HA GLU B 7 3.975 -12.501 -11.517 1.00 0.00 H ATOM 1121 HB2 GLU B 7 2.012 -14.627 -10.583 1.00 0.00 H ATOM 1122 HB3 GLU B 7 1.593 -13.176 -11.524 1.00 0.00 H ATOM 1123 HG2 GLU B 7 3.619 -15.150 -12.546 1.00 0.00 H ATOM 1124 HG3 GLU B 7 1.875 -15.440 -12.745 1.00 0.00 H ATOM 1125 H GLU B 7 4.507 -15.163 -10.703 1.00 0.00 H ATOM 1126 N ALA B 8 3.359 -13.045 -8.362 1.00 52.35 N ATOM 1127 CA ALA B 8 3.030 -12.403 -7.094 1.00 62.53 C ATOM 1128 C ALA B 8 4.083 -11.370 -6.712 1.00 52.01 C ATOM 1129 O ALA B 8 3.792 -10.408 -6.003 1.00 13.55 O ATOM 1130 CB ALA B 8 2.888 -13.447 -5.996 1.00 42.15 C ATOM 1131 HA ALA B 8 2.078 -11.885 -7.213 1.00 0.00 H ATOM 1132 HB1 ALA B 8 2.093 -14.144 -6.260 1.00 0.00 H ATOM 1133 HB2 ALA B 8 3.827 -13.989 -5.888 1.00 0.00 H ATOM 1134 HB3 ALA B 8 2.642 -12.953 -5.056 1.00 0.00 H ATOM 1135 H ALA B 8 3.715 -14.022 -8.359 1.00 0.00 H ATOM 1136 N ALA B 9 5.307 -11.576 -7.186 1.00 64.00 N ATOM 1137 CA ALA B 9 6.404 -10.661 -6.895 1.00 45.11 C ATOM 1138 C ALA B 9 6.143 -9.284 -7.495 1.00 53.42 C ATOM 1139 O ALA B 9 6.417 -8.260 -6.867 1.00 60.41 O ATOM 1140 CB ALA B 9 7.716 -11.226 -7.417 1.00 64.11 C ATOM 1141 HA ALA B 9 6.475 -10.550 -5.813 1.00 0.00 H ATOM 1142 HB1 ALA B 9 7.914 -12.184 -6.937 1.00 0.00 H ATOM 1143 HB2 ALA B 9 7.646 -11.367 -8.496 1.00 0.00 H ATOM 1144 HB3 ALA B 9 8.525 -10.531 -7.192 1.00 0.00 H ATOM 1145 H ALA B 9 5.487 -12.411 -7.779 1.00 0.00 H ATOM 1146 N LYS B 10 5.613 -9.264 -8.713 1.00 70.13 N ATOM 1147 CA LYS B 10 5.314 -8.012 -9.398 1.00 52.41 C ATOM 1148 C LYS B 10 4.213 -7.244 -8.674 1.00 35.23 C ATOM 1149 O LYS B 10 4.228 -6.014 -8.625 1.00 42.55 O ATOM 1150 CB LYS B 10 4.894 -8.286 -10.843 1.00 42.30 C ATOM 1151 CG LYS B 10 5.782 -9.291 -11.555 1.00 21.11 C ATOM 1152 CD LYS B 10 5.730 -9.111 -13.064 1.00 33.44 C ATOM 1153 CE LYS B 10 4.405 -9.589 -13.637 1.00 23.03 C ATOM 1154 NZ LYS B 10 3.676 -8.494 -14.335 1.00 14.13 N ATOM 1155 HA LYS B 10 6.217 -7.402 -9.398 1.00 0.00 H ATOM 1156 HB2 LYS B 10 3.874 -8.670 -10.839 1.00 0.00 H ATOM 1157 HB3 LYS B 10 4.925 -7.347 -11.395 1.00 0.00 H ATOM 1158 HG2 LYS B 10 6.810 -9.157 -11.217 1.00 0.00 H ATOM 1159 HG3 LYS B 10 5.447 -10.298 -11.307 1.00 0.00 H ATOM 1160 HD2 LYS B 10 5.858 -8.054 -13.300 1.00 0.00 H ATOM 1161 HD3 LYS B 10 6.539 -9.683 -13.517 1.00 0.00 H ATOM 1162 HE2 LYS B 10 3.784 -9.964 -12.824 1.00 0.00 H ATOM 1163 HE3 LYS B 10 4.597 -10.394 -14.347 1.00 0.00 H ATOM 1164 HZ1 LYS B 10 3.483 -7.724 -13.663 1.00 0.00 H ATOM 1165 HZ2 LYS B 10 4.259 -8.134 -15.117 1.00 0.00 H ATOM 1166 HZ3 LYS B 10 2.779 -8.861 -14.711 1.00 0.00 H ATOM 1167 H LYS B 10 5.406 -10.165 -9.190 1.00 0.00 H ATOM 1168 N LEU B 11 3.259 -7.978 -8.110 1.00 3.31 N ATOM 1169 CA LEU B 11 2.150 -7.366 -7.386 1.00 24.31 C ATOM 1170 C LEU B 11 2.661 -6.386 -6.336 1.00 15.13 C ATOM 1171 O LEU B 11 2.134 -5.283 -6.192 1.00 42.05 O ATOM 1172 CB LEU B 11 1.293 -8.445 -6.720 1.00 4.31 C ATOM 1173 CG LEU B 11 0.753 -9.537 -7.644 1.00 12.31 C ATOM 1174 CD1 LEU B 11 -0.178 -10.468 -6.882 1.00 14.42 C ATOM 1175 CD2 LEU B 11 0.036 -8.921 -8.836 1.00 23.43 C ATOM 1176 HA LEU B 11 1.539 -6.816 -8.102 1.00 0.00 H ATOM 1177 HB2 LEU B 11 1.899 -8.927 -5.953 1.00 0.00 H ATOM 1178 HB3 LEU B 11 0.441 -7.953 -6.252 1.00 0.00 H ATOM 1179 HG LEU B 11 1.595 -10.122 -8.015 1.00 0.00 H ATOM 1180 HD21 LEU B 11 -0.796 -8.312 -8.483 1.00 0.00 H ATOM 1181 HD22 LEU B 11 0.733 -8.297 -9.395 1.00 0.00 H ATOM 1182 HD23 LEU B 11 -0.341 -9.714 -9.481 1.00 0.00 H ATOM 1183 HD11 LEU B 11 0.368 -10.935 -6.063 1.00 0.00 H ATOM 1184 HD12 LEU B 11 -1.015 -9.896 -6.483 1.00 0.00 H ATOM 1185 HD13 LEU B 11 -0.552 -11.238 -7.557 1.00 0.00 H ATOM 1186 H LEU B 11 3.304 -9.014 -8.187 1.00 0.00 H ATOM 1187 N PHE B 12 3.692 -6.795 -5.603 1.00 54.13 N ATOM 1188 CA PHE B 12 4.276 -5.952 -4.566 1.00 21.30 C ATOM 1189 C PHE B 12 5.098 -4.823 -5.181 1.00 34.43 C ATOM 1190 O PHE B 12 5.313 -3.787 -4.554 1.00 62.11 O ATOM 1191 CB PHE B 12 5.154 -6.789 -3.633 1.00 43.02 C ATOM 1192 CG PHE B 12 4.376 -7.756 -2.785 1.00 5.12 C ATOM 1193 CD1 PHE B 12 3.228 -7.351 -2.124 1.00 10.31 C ATOM 1194 CD2 PHE B 12 4.794 -9.071 -2.651 1.00 11.54 C ATOM 1195 CE1 PHE B 12 2.512 -8.238 -1.343 1.00 1.44 C ATOM 1196 CE2 PHE B 12 4.081 -9.962 -1.872 1.00 12.32 C ATOM 1197 CZ PHE B 12 2.938 -9.546 -1.218 1.00 3.51 C ATOM 1198 HA PHE B 12 3.462 -5.512 -3.990 1.00 0.00 H ATOM 1199 HB2 PHE B 12 5.862 -7.354 -4.240 1.00 0.00 H ATOM 1200 HB3 PHE B 12 5.700 -6.114 -2.974 1.00 0.00 H ATOM 1201 HD2 PHE B 12 5.695 -9.406 -3.166 1.00 0.00 H ATOM 1202 HE2 PHE B 12 4.421 -10.993 -1.774 1.00 0.00 H ATOM 1203 HZ PHE B 12 2.373 -10.248 -0.605 1.00 0.00 H ATOM 1204 HE1 PHE B 12 1.612 -7.906 -0.826 1.00 0.00 H ATOM 1205 HD1 PHE B 12 2.886 -6.321 -2.221 1.00 0.00 H ATOM 1206 H PHE B 12 4.092 -7.740 -5.773 1.00 0.00 H ATOM 1207 N GLU B 13 5.556 -5.036 -6.410 1.00 63.12 N ATOM 1208 CA GLU B 13 6.356 -4.037 -7.110 1.00 12.53 C ATOM 1209 C GLU B 13 5.590 -2.724 -7.247 1.00 32.34 C ATOM 1210 O GLU B 13 6.169 -1.643 -7.146 1.00 23.24 O ATOM 1211 CB GLU B 13 6.760 -4.551 -8.493 1.00 24.43 C ATOM 1212 CG GLU B 13 8.214 -4.285 -8.841 1.00 0.42 C ATOM 1213 CD GLU B 13 9.141 -5.385 -8.362 1.00 61.42 C ATOM 1214 OE1 GLU B 13 8.958 -6.543 -8.795 1.00 71.21 O ATOM 1215 OE2 GLU B 13 10.048 -5.090 -7.557 1.00 74.42 O ATOM 1216 HA GLU B 13 7.255 -3.853 -6.522 1.00 0.00 H ATOM 1217 HB2 GLU B 13 6.589 -5.627 -8.524 1.00 0.00 H ATOM 1218 HB3 GLU B 13 6.132 -4.063 -9.239 1.00 0.00 H ATOM 1219 HG2 GLU B 13 8.304 -4.200 -9.924 1.00 0.00 H ATOM 1220 HG3 GLU B 13 8.518 -3.346 -8.378 1.00 0.00 H ATOM 1221 H GLU B 13 5.339 -5.936 -6.884 1.00 0.00 H ATOM 1222 N GLU B 14 4.285 -2.829 -7.477 1.00 31.10 N ATOM 1223 CA GLU B 14 3.440 -1.650 -7.629 1.00 5.01 C ATOM 1224 C GLU B 14 3.179 -0.990 -6.279 1.00 32.53 C ATOM 1225 O GLU B 14 3.081 0.234 -6.182 1.00 22.34 O ATOM 1226 CB GLU B 14 2.113 -2.029 -8.290 1.00 11.31 C ATOM 1227 CG GLU B 14 2.271 -2.945 -9.491 1.00 51.11 C ATOM 1228 CD GLU B 14 1.122 -2.822 -10.474 1.00 0.25 C ATOM 1229 OE1 GLU B 14 0.424 -3.832 -10.700 1.00 21.45 O ATOM 1230 OE2 GLU B 14 0.923 -1.715 -11.017 1.00 61.01 O ATOM 1231 HA GLU B 14 3.964 -0.938 -8.266 1.00 0.00 H ATOM 1232 HB2 GLU B 14 1.491 -2.534 -7.551 1.00 0.00 H ATOM 1233 HB3 GLU B 14 1.617 -1.115 -8.616 1.00 0.00 H ATOM 1234 HG2 GLU B 14 3.199 -2.691 -10.004 1.00 0.00 H ATOM 1235 HG3 GLU B 14 2.322 -3.976 -9.140 1.00 0.00 H ATOM 1236 H GLU B 14 3.857 -3.774 -7.550 1.00 0.00 H ATOM 1237 N TRP B 15 3.066 -1.808 -5.239 1.00 22.34 N ATOM 1238 CA TRP B 15 2.816 -1.305 -3.893 1.00 42.33 C ATOM 1239 C TRP B 15 3.872 -0.283 -3.489 1.00 10.23 C ATOM 1240 O TRP B 15 3.549 0.795 -2.990 1.00 2.34 O ATOM 1241 CB TRP B 15 2.794 -2.459 -2.890 1.00 31.52 C ATOM 1242 CG TRP B 15 1.544 -3.283 -2.958 1.00 40.30 C ATOM 1243 CD1 TRP B 15 0.883 -3.678 -4.086 1.00 2.33 C ATOM 1244 CD2 TRP B 15 0.802 -3.809 -1.852 1.00 12.34 C ATOM 1245 NE1 TRP B 15 -0.224 -4.418 -3.748 1.00 30.25 N ATOM 1246 CE2 TRP B 15 -0.295 -4.514 -2.384 1.00 22.13 C ATOM 1247 CE3 TRP B 15 0.961 -3.755 -0.464 1.00 62.54 C ATOM 1248 CZ2 TRP B 15 -1.228 -5.157 -1.575 1.00 70.21 C ATOM 1249 CZ3 TRP B 15 0.033 -4.394 0.337 1.00 4.51 C ATOM 1250 CH2 TRP B 15 -1.049 -5.089 -0.220 1.00 42.51 C ATOM 1251 HA TRP B 15 1.843 -0.814 -3.891 1.00 0.00 H ATOM 1252 HB2 TRP B 15 3.647 -3.107 -3.090 1.00 0.00 H ATOM 1253 HB3 TRP B 15 2.881 -2.046 -1.885 1.00 0.00 H ATOM 1254 HE1 TRP B 15 -0.899 -4.837 -4.419 1.00 0.00 H ATOM 1255 HD1 TRP B 15 1.189 -3.441 -5.105 1.00 0.00 H ATOM 1256 HZ2 TRP B 15 -2.072 -5.696 -2.006 1.00 0.00 H ATOM 1257 HH2 TRP B 15 -1.762 -5.585 0.439 1.00 0.00 H ATOM 1258 HZ3 TRP B 15 0.145 -4.357 1.421 1.00 0.00 H ATOM 1259 HE3 TRP B 15 1.801 -3.219 -0.022 1.00 0.00 H ATOM 1260 H TRP B 15 3.158 -2.833 -5.388 1.00 0.00 H ATOM 1261 N LYS B 16 5.137 -0.628 -3.707 1.00 35.20 N ATOM 1262 CA LYS B 16 6.243 0.259 -3.366 1.00 62.32 C ATOM 1263 C LYS B 16 6.376 1.380 -4.391 1.00 50.03 C ATOM 1264 O LYS B 16 6.878 2.461 -4.083 1.00 71.02 O ATOM 1265 CB LYS B 16 7.551 -0.530 -3.285 1.00 2.33 C ATOM 1266 CG LYS B 16 8.642 0.180 -2.502 1.00 25.03 C ATOM 1267 CD LYS B 16 9.912 -0.653 -2.435 1.00 30.12 C ATOM 1268 CE LYS B 16 11.139 0.218 -2.215 1.00 15.31 C ATOM 1269 NZ LYS B 16 11.929 0.389 -3.465 1.00 51.24 N ATOM 1270 HA LYS B 16 6.033 0.703 -2.393 1.00 0.00 H ATOM 1271 HB2 LYS B 16 7.348 -1.486 -2.803 1.00 0.00 H ATOM 1272 HB3 LYS B 16 7.912 -0.705 -4.299 1.00 0.00 H ATOM 1273 HG2 LYS B 16 8.866 1.130 -2.988 1.00 0.00 H ATOM 1274 HG3 LYS B 16 8.287 0.367 -1.489 1.00 0.00 H ATOM 1275 HD2 LYS B 16 9.828 -1.362 -1.611 1.00 0.00 H ATOM 1276 HD3 LYS B 16 10.028 -1.199 -3.371 1.00 0.00 H ATOM 1277 HE2 LYS B 16 11.771 -0.248 -1.459 1.00 0.00 H ATOM 1278 HE3 LYS B 16 10.817 1.199 -1.864 1.00 0.00 H ATOM 1279 HZ1 LYS B 16 12.246 -0.542 -3.803 1.00 0.00 H ATOM 1280 HZ2 LYS B 16 11.335 0.839 -4.190 1.00 0.00 H ATOM 1281 HZ3 LYS B 16 12.756 0.989 -3.272 1.00 0.00 H ATOM 1282 H LYS B 16 5.343 -1.555 -4.132 1.00 0.00 H ATOM 1283 N LYS B 17 5.920 1.117 -5.611 1.00 3.30 N ATOM 1284 CA LYS B 17 5.986 2.104 -6.683 1.00 14.21 C ATOM 1285 C LYS B 17 5.047 3.274 -6.402 1.00 3.15 C ATOM 1286 O LYS B 17 5.481 4.424 -6.315 1.00 34.35 O ATOM 1287 CB LYS B 17 5.626 1.458 -8.022 1.00 5.22 C ATOM 1288 CG LYS B 17 6.736 1.544 -9.056 1.00 52.11 C ATOM 1289 CD LYS B 17 6.544 0.524 -10.166 1.00 33.12 C ATOM 1290 CE LYS B 17 6.073 1.181 -11.453 1.00 42.21 C ATOM 1291 NZ LYS B 17 6.570 0.462 -12.658 1.00 11.11 N ATOM 1292 HA LYS B 17 7.007 2.483 -6.733 1.00 0.00 H ATOM 1293 HB2 LYS B 17 5.398 0.407 -7.848 1.00 0.00 H ATOM 1294 HB3 LYS B 17 4.744 1.959 -8.421 1.00 0.00 H ATOM 1295 HG2 LYS B 17 6.739 2.544 -9.490 1.00 0.00 H ATOM 1296 HG3 LYS B 17 7.692 1.359 -8.566 1.00 0.00 H ATOM 1297 HD2 LYS B 17 7.493 0.020 -10.352 1.00 0.00 H ATOM 1298 HD3 LYS B 17 5.801 -0.208 -9.850 1.00 0.00 H ATOM 1299 HE2 LYS B 17 6.439 2.208 -11.479 1.00 0.00 H ATOM 1300 HE3 LYS B 17 4.983 1.184 -11.469 1.00 0.00 H ATOM 1301 HZ1 LYS B 17 7.610 0.460 -12.655 1.00 0.00 H ATOM 1302 HZ2 LYS B 17 6.220 -0.517 -12.645 1.00 0.00 H ATOM 1303 HZ3 LYS B 17 6.226 0.943 -13.514 1.00 0.00 H ATOM 1304 H LYS B 17 5.505 0.183 -5.807 1.00 0.00 H ATOM 1305 N LEU B 18 3.761 2.974 -6.261 1.00 23.13 N ATOM 1306 CA LEU B 18 2.761 4.000 -5.988 1.00 43.41 C ATOM 1307 C LEU B 18 3.128 4.802 -4.744 1.00 21.02 C ATOM 1308 O LEU B 18 2.834 5.993 -4.651 1.00 73.14 O ATOM 1309 CB LEU B 18 1.382 3.363 -5.810 1.00 21.41 C ATOM 1310 CG LEU B 18 0.601 3.084 -7.095 1.00 72.43 C ATOM 1311 CD1 LEU B 18 -0.625 2.234 -6.799 1.00 41.25 C ATOM 1312 CD2 LEU B 18 0.199 4.388 -7.768 1.00 72.32 C ATOM 1313 HA LEU B 18 2.733 4.679 -6.840 1.00 0.00 H ATOM 1314 HB2 LEU B 18 1.517 2.415 -5.289 1.00 0.00 H ATOM 1315 HB3 LEU B 18 0.782 4.033 -5.194 1.00 0.00 H ATOM 1316 HG LEU B 18 1.246 2.530 -7.778 1.00 0.00 H ATOM 1317 HD21 LEU B 18 -0.428 4.967 -7.090 1.00 0.00 H ATOM 1318 HD22 LEU B 18 1.094 4.959 -8.014 1.00 0.00 H ATOM 1319 HD23 LEU B 18 -0.356 4.169 -8.680 1.00 0.00 H ATOM 1320 HD11 LEU B 18 -0.311 1.286 -6.362 1.00 0.00 H ATOM 1321 HD12 LEU B 18 -1.272 2.763 -6.099 1.00 0.00 H ATOM 1322 HD13 LEU B 18 -1.168 2.046 -7.725 1.00 0.00 H ATOM 1323 H LEU B 18 3.459 1.982 -6.347 1.00 0.00 H ATOM 1324 N ALA B 19 3.776 4.139 -3.790 1.00 52.34 N ATOM 1325 CA ALA B 19 4.187 4.790 -2.553 1.00 52.43 C ATOM 1326 C ALA B 19 5.205 5.893 -2.825 1.00 72.15 C ATOM 1327 O ALA B 19 5.339 6.833 -2.041 1.00 2.30 O ATOM 1328 CB ALA B 19 4.761 3.768 -1.584 1.00 35.42 C ATOM 1329 HA ALA B 19 3.306 5.247 -2.102 1.00 0.00 H ATOM 1330 HB1 ALA B 19 4.003 3.018 -1.357 1.00 0.00 H ATOM 1331 HB2 ALA B 19 5.627 3.285 -2.038 1.00 0.00 H ATOM 1332 HB3 ALA B 19 5.063 4.270 -0.665 1.00 0.00 H ATOM 1333 H ALA B 19 3.994 3.132 -3.930 1.00 0.00 H ATOM 1334 N GLU B 20 5.919 5.771 -3.939 1.00 4.00 N ATOM 1335 CA GLU B 20 6.926 6.758 -4.312 1.00 20.44 C ATOM 1336 C GLU B 20 6.270 8.048 -4.795 1.00 3.25 C ATOM 1337 O GLU B 20 6.622 9.139 -4.348 1.00 41.45 O ATOM 1338 CB GLU B 20 7.840 6.197 -5.404 1.00 0.43 C ATOM 1339 CG GLU B 20 8.325 4.785 -5.126 1.00 20.12 C ATOM 1340 CD GLU B 20 9.821 4.632 -5.324 1.00 22.22 C ATOM 1341 OE1 GLU B 20 10.582 5.005 -4.406 1.00 55.32 O ATOM 1342 OE2 GLU B 20 10.231 4.140 -6.395 1.00 32.45 O ATOM 1343 HA GLU B 20 7.523 6.984 -3.428 1.00 0.00 H ATOM 1344 HB2 GLU B 20 7.291 6.194 -6.345 1.00 0.00 H ATOM 1345 HB3 GLU B 20 8.709 6.849 -5.494 1.00 0.00 H ATOM 1346 HG2 GLU B 20 8.081 4.528 -4.095 1.00 0.00 H ATOM 1347 HG3 GLU B 20 7.811 4.100 -5.801 1.00 0.00 H ATOM 1348 H GLU B 20 5.756 4.952 -4.560 1.00 0.00 H ATOM 1349 N GLU B 21 5.317 7.913 -5.712 1.00 13.20 N ATOM 1350 CA GLU B 21 4.614 9.069 -6.256 1.00 62.53 C ATOM 1351 C GLU B 21 3.622 9.630 -5.241 1.00 73.35 C ATOM 1352 O GLU B 21 3.585 10.835 -4.993 1.00 43.12 O ATOM 1353 CB GLU B 21 3.881 8.687 -7.544 1.00 52.33 C ATOM 1354 CG GLU B 21 4.770 8.009 -8.572 1.00 41.34 C ATOM 1355 CD GLU B 21 4.990 8.862 -9.806 1.00 62.13 C ATOM 1356 OE1 GLU B 21 6.113 8.837 -10.352 1.00 23.21 O ATOM 1357 OE2 GLU B 21 4.039 9.554 -10.228 1.00 34.44 O ATOM 1358 HA GLU B 21 5.352 9.839 -6.480 1.00 0.00 H ATOM 1359 HB2 GLU B 21 3.068 8.007 -7.289 1.00 0.00 H ATOM 1360 HB3 GLU B 21 3.469 9.593 -7.988 1.00 0.00 H ATOM 1361 HG2 GLU B 21 5.737 7.801 -8.114 1.00 0.00 H ATOM 1362 HG3 GLU B 21 4.303 7.072 -8.874 1.00 0.00 H ATOM 1363 H GLU B 21 5.067 6.961 -6.049 1.00 0.00 H ATOM 1364 N ALA B 22 2.818 8.747 -4.657 1.00 11.43 N ATOM 1365 CA ALA B 22 1.827 9.154 -3.669 1.00 32.34 C ATOM 1366 C ALA B 22 2.484 9.870 -2.494 1.00 41.31 C ATOM 1367 O ALA B 22 1.836 10.632 -1.778 1.00 30.10 O ATOM 1368 CB ALA B 22 1.044 7.944 -3.179 1.00 42.14 C ATOM 1369 HA ALA B 22 1.139 9.851 -4.147 1.00 0.00 H ATOM 1370 HB1 ALA B 22 0.536 7.476 -4.022 1.00 0.00 H ATOM 1371 HB2 ALA B 22 1.730 7.229 -2.724 1.00 0.00 H ATOM 1372 HB3 ALA B 22 0.308 8.264 -2.442 1.00 0.00 H ATOM 1373 H ALA B 22 2.898 7.742 -4.911 1.00 0.00 H ATOM 1374 N ALA B 23 3.776 9.621 -2.303 1.00 34.11 N ATOM 1375 CA ALA B 23 4.521 10.244 -1.216 1.00 71.41 C ATOM 1376 C ALA B 23 4.843 11.699 -1.535 1.00 4.42 C ATOM 1377 O ALA B 23 4.520 12.602 -0.763 1.00 1.44 O ATOM 1378 CB ALA B 23 5.799 9.466 -0.939 1.00 10.42 C ATOM 1379 HA ALA B 23 3.897 10.225 -0.323 1.00 0.00 H ATOM 1380 HB1 ALA B 23 5.547 8.443 -0.658 1.00 0.00 H ATOM 1381 HB2 ALA B 23 6.418 9.456 -1.836 1.00 0.00 H ATOM 1382 HB3 ALA B 23 6.344 9.943 -0.125 1.00 0.00 H ATOM 1383 H ALA B 23 4.267 8.966 -2.945 1.00 0.00 H ATOM 1384 N LYS B 24 5.484 11.922 -2.678 1.00 41.03 N ATOM 1385 CA LYS B 24 5.850 13.268 -3.102 1.00 40.33 C ATOM 1386 C LYS B 24 4.608 14.104 -3.394 1.00 50.10 C ATOM 1387 O LYS B 24 4.614 15.324 -3.220 1.00 74.44 O ATOM 1388 CB LYS B 24 6.742 13.210 -4.344 1.00 63.41 C ATOM 1389 CG LYS B 24 5.971 13.001 -5.636 1.00 65.11 C ATOM 1390 CD LYS B 24 5.618 14.324 -6.294 1.00 51.05 C ATOM 1391 CE LYS B 24 6.105 14.380 -7.734 1.00 64.40 C ATOM 1392 NZ LYS B 24 7.512 14.859 -7.825 1.00 64.40 N ATOM 1393 HA LYS B 24 6.401 13.740 -2.288 1.00 0.00 H ATOM 1394 HB2 LYS B 24 7.292 14.148 -4.418 1.00 0.00 H ATOM 1395 HB3 LYS B 24 7.446 12.386 -4.225 1.00 0.00 H ATOM 1396 HG2 LYS B 24 6.582 12.415 -6.323 1.00 0.00 H ATOM 1397 HG3 LYS B 24 5.052 12.458 -5.416 1.00 0.00 H ATOM 1398 HD2 LYS B 24 4.535 14.448 -6.281 1.00 0.00 H ATOM 1399 HD3 LYS B 24 6.082 15.134 -5.731 1.00 0.00 H ATOM 1400 HE2 LYS B 24 5.464 15.058 -8.297 1.00 0.00 H ATOM 1401 HE3 LYS B 24 6.044 13.381 -8.166 1.00 0.00 H ATOM 1402 HZ1 LYS B 24 7.578 15.815 -7.420 1.00 0.00 H ATOM 1403 HZ2 LYS B 24 8.132 14.213 -7.295 1.00 0.00 H ATOM 1404 HZ3 LYS B 24 7.805 14.882 -8.823 1.00 0.00 H ATOM 1405 H LYS B 24 5.731 11.115 -3.286 1.00 0.00 H ATOM 1406 N LEU B 25 3.545 13.441 -3.836 1.00 34.03 N ATOM 1407 CA LEU B 25 2.294 14.123 -4.150 1.00 0.30 C ATOM 1408 C LEU B 25 1.521 14.456 -2.878 1.00 63.12 C ATOM 1409 O LEU B 25 0.959 15.544 -2.748 1.00 10.41 O ATOM 1410 CB LEU B 25 1.435 13.255 -5.071 1.00 35.02 C ATOM 1411 CG LEU B 25 1.435 13.641 -6.550 1.00 54.22 C ATOM 1412 CD1 LEU B 25 0.526 12.715 -7.343 1.00 24.35 C ATOM 1413 CD2 LEU B 25 1.004 15.090 -6.723 1.00 1.30 C ATOM 1414 HA LEU B 25 2.535 15.055 -4.660 1.00 0.00 H ATOM 1415 HB2 LEU B 25 1.795 12.229 -4.994 1.00 0.00 H ATOM 1416 HB3 LEU B 25 0.407 13.305 -4.713 1.00 0.00 H ATOM 1417 HG LEU B 25 2.450 13.536 -6.933 1.00 0.00 H ATOM 1418 HD21 LEU B 25 -0.002 15.219 -6.323 1.00 0.00 H ATOM 1419 HD22 LEU B 25 1.696 15.740 -6.187 1.00 0.00 H ATOM 1420 HD23 LEU B 25 1.010 15.346 -7.783 1.00 0.00 H ATOM 1421 HD11 LEU B 25 0.880 11.689 -7.245 1.00 0.00 H ATOM 1422 HD12 LEU B 25 -0.491 12.789 -6.958 1.00 0.00 H ATOM 1423 HD13 LEU B 25 0.540 13.006 -8.393 1.00 0.00 H ATOM 1424 H LEU B 25 3.606 12.410 -3.961 1.00 0.00 H ATOM 1425 N LEU B 26 1.499 13.513 -1.942 1.00 44.43 N ATOM 1426 CA LEU B 26 0.796 13.707 -0.678 1.00 44.30 C ATOM 1427 C LEU B 26 1.197 15.029 -0.030 1.00 40.00 C ATOM 1428 O LEU B 26 0.342 15.824 0.360 1.00 21.42 O ATOM 1429 CB LEU B 26 1.092 12.548 0.274 1.00 55.40 C ATOM 1430 CG LEU B 26 0.036 11.444 0.336 1.00 33.21 C ATOM 1431 CD1 LEU B 26 0.591 10.212 1.035 1.00 43.13 C ATOM 1432 CD2 LEU B 26 -1.216 11.941 1.044 1.00 43.42 C ATOM 1433 HA LEU B 26 -0.274 13.735 -0.885 1.00 0.00 H ATOM 1434 HB2 LEU B 26 2.033 12.093 -0.037 1.00 0.00 H ATOM 1435 HB3 LEU B 26 1.203 12.960 1.277 1.00 0.00 H ATOM 1436 HG LEU B 26 -0.232 11.169 -0.684 1.00 0.00 H ATOM 1437 HD21 LEU B 26 -0.961 12.245 2.059 1.00 0.00 H ATOM 1438 HD22 LEU B 26 -1.625 12.793 0.500 1.00 0.00 H ATOM 1439 HD23 LEU B 26 -1.955 11.140 1.078 1.00 0.00 H ATOM 1440 HD11 LEU B 26 1.457 9.843 0.485 1.00 0.00 H ATOM 1441 HD12 LEU B 26 0.888 10.475 2.050 1.00 0.00 H ATOM 1442 HD13 LEU B 26 -0.176 9.438 1.069 1.00 0.00 H ATOM 1443 H LEU B 26 1.995 12.615 -2.114 1.00 0.00 H ATOM 1444 N GLU B 27 2.502 15.256 0.081 1.00 70.12 N ATOM 1445 CA GLU B 27 3.015 16.482 0.681 1.00 41.11 C ATOM 1446 C GLU B 27 3.225 17.560 -0.379 1.00 52.24 C ATOM 1447 O GLU B 27 3.855 18.584 -0.121 1.00 1.35 O ATOM 1448 CB GLU B 27 4.330 16.207 1.412 1.00 21.52 C ATOM 1449 CG GLU B 27 4.301 14.950 2.265 1.00 31.33 C ATOM 1450 CD GLU B 27 4.830 15.184 3.667 1.00 3.00 C ATOM 1451 OE1 GLU B 27 6.032 15.493 3.803 1.00 52.50 O ATOM 1452 OE2 GLU B 27 4.042 15.057 4.628 1.00 43.11 O ATOM 1453 HA GLU B 27 2.277 16.841 1.399 1.00 0.00 H ATOM 1454 HB2 GLU B 27 5.122 16.102 0.670 1.00 0.00 H ATOM 1455 HB3 GLU B 27 4.550 17.057 2.058 1.00 0.00 H ATOM 1456 HG2 GLU B 27 3.272 14.598 2.334 1.00 0.00 H ATOM 1457 HG3 GLU B 27 4.913 14.187 1.784 1.00 0.00 H ATOM 1458 H GLU B 27 3.173 14.542 -0.268 1.00 0.00 H ATOM 1459 N GLY B 28 2.692 17.320 -1.573 1.00 71.11 N ATOM 1460 CA GLY B 28 2.832 18.278 -2.654 1.00 32.23 C ATOM 1461 C GLY B 28 2.235 19.629 -2.313 1.00 23.21 C ATOM 1462 O GLY B 28 2.490 20.618 -2.997 1.00 70.11 O ATOM 1463 HA3 GLY B 28 2.328 17.885 -3.537 1.00 0.00 H ATOM 1464 HA2 GLY B 28 3.892 18.409 -2.871 1.00 0.00 H ATOM 1465 H GLY B 28 2.169 16.436 -1.734 1.00 0.00 H ATOM 1466 N GLY B 29 1.436 19.669 -1.251 1.00 13.41 N ATOM 1467 CA GLY B 29 0.812 20.914 -0.840 1.00 62.13 C ATOM 1468 C GLY B 29 -0.653 20.740 -0.491 1.00 62.24 C ATOM 1469 O GLY B 29 -1.495 21.537 -0.904 1.00 22.52 O ATOM 1470 HA3 GLY B 29 0.895 21.633 -1.655 1.00 0.00 H ATOM 1471 HA2 GLY B 29 1.337 21.297 0.035 1.00 0.00 H ATOM 1472 H GLY B 29 1.256 18.800 -0.709 1.00 0.00 H ATOM 1473 N GLY B 30 -0.959 19.694 0.271 1.00 1.31 N ATOM 1474 CA GLY B 30 -2.332 19.437 0.660 1.00 75.31 C ATOM 1475 C GLY B 30 -2.563 19.640 2.144 1.00 11.15 C ATOM 1476 O GLY B 30 -3.549 20.254 2.549 1.00 73.12 O ATOM 1477 HA3 GLY B 30 -2.581 18.407 0.405 1.00 0.00 H ATOM 1478 HA2 GLY B 30 -2.984 20.114 0.109 1.00 0.00 H ATOM 1479 H GLY B 30 -0.205 19.053 0.591 1.00 0.00 H ATOM 1480 N GLY B 31 -1.649 19.122 2.960 1.00 61.01 N ATOM 1481 CA GLY B 31 -1.776 19.260 4.399 1.00 30.22 C ATOM 1482 C GLY B 31 -0.586 18.686 5.143 1.00 14.42 C ATOM 1483 O GLY B 31 -0.164 17.562 4.881 1.00 33.42 O ATOM 1484 HA3 GLY B 31 -2.676 18.738 4.723 1.00 0.00 H ATOM 1485 HA2 GLY B 31 -1.864 20.319 4.643 1.00 0.00 H ATOM 1486 H GLY B 31 -0.834 18.612 2.562 1.00 0.00 H ATOM 1487 N GLY B 32 -0.042 19.464 6.074 1.00 13.53 N ATOM 1488 CA GLY B 32 1.103 19.011 6.844 1.00 44.52 C ATOM 1489 C GLY B 32 0.991 19.365 8.313 1.00 71.44 C ATOM 1490 O GLY B 32 1.060 20.535 8.685 1.00 64.05 O ATOM 1491 HA3 GLY B 32 2.002 19.476 6.440 1.00 0.00 H ATOM 1492 HA2 GLY B 32 1.181 17.928 6.750 1.00 0.00 H ATOM 1493 H GLY B 32 -0.441 20.408 6.253 1.00 0.00 H ATOM 1494 N GLY B 33 0.815 18.348 9.152 1.00 11.43 N ATOM 1495 CA GLY B 33 0.694 18.579 10.580 1.00 52.20 C ATOM 1496 C GLY B 33 1.884 18.051 11.356 1.00 73.42 C ATOM 1497 O GLY B 33 2.410 18.728 12.237 1.00 42.42 O ATOM 1498 HA3 GLY B 33 -0.207 18.082 10.940 1.00 0.00 H ATOM 1499 HA2 GLY B 33 0.610 19.652 10.755 1.00 0.00 H ATOM 1500 H GLY B 33 0.764 17.378 8.781 1.00 0.00 H ATOM 1501 N GLY B 34 2.309 16.834 11.028 1.00 34.11 N ATOM 1502 CA GLY B 34 3.440 16.234 11.712 1.00 11.12 C ATOM 1503 C GLY B 34 4.183 15.240 10.842 1.00 51.31 C ATOM 1504 O GLY B 34 3.619 14.687 9.898 1.00 12.21 O ATOM 1505 HA3 GLY B 34 3.078 15.718 12.601 1.00 0.00 H ATOM 1506 HA2 GLY B 34 4.130 17.025 12.008 1.00 0.00 H ATOM 1507 H GLY B 34 1.826 16.307 10.273 1.00 0.00 H ATOM 1508 N GLY B 35 5.455 15.013 11.158 1.00 52.03 N ATOM 1509 CA GLY B 35 6.255 14.081 10.387 1.00 30.33 C ATOM 1510 C GLY B 35 5.809 12.644 10.570 1.00 32.33 C ATOM 1511 O GLY B 35 5.654 11.906 9.597 1.00 3.42 O ATOM 1512 HA3 GLY B 35 7.295 14.168 10.703 1.00 0.00 H ATOM 1513 HA2 GLY B 35 6.174 14.341 9.331 1.00 0.00 H ATOM 1514 H GLY B 35 5.880 15.509 11.967 1.00 0.00 H ATOM 1515 N GLU B 36 5.602 12.244 11.821 1.00 50.21 N ATOM 1516 CA GLU B 36 5.174 10.885 12.128 1.00 73.11 C ATOM 1517 C GLU B 36 3.826 10.581 11.481 1.00 62.53 C ATOM 1518 O GLU B 36 3.583 9.465 11.018 1.00 15.41 O ATOM 1519 CB GLU B 36 5.082 10.684 13.642 1.00 44.14 C ATOM 1520 CG GLU B 36 4.522 9.330 14.044 1.00 14.00 C ATOM 1521 CD GLU B 36 5.064 8.847 15.375 1.00 25.22 C ATOM 1522 OE1 GLU B 36 5.186 9.675 16.302 1.00 61.33 O ATOM 1523 OE2 GLU B 36 5.368 7.640 15.490 1.00 42.45 O ATOM 1524 HA GLU B 36 5.916 10.198 11.723 1.00 0.00 H ATOM 1525 HB2 GLU B 36 6.082 10.783 14.064 1.00 0.00 H ATOM 1526 HB3 GLU B 36 4.437 11.460 14.054 1.00 0.00 H ATOM 1527 HG2 GLU B 36 3.437 9.408 14.116 1.00 0.00 H ATOM 1528 HG3 GLU B 36 4.783 8.602 13.276 1.00 0.00 H ATOM 1529 H GLU B 36 5.749 12.917 12.600 1.00 0.00 H ATOM 1530 N LEU B 37 2.950 11.580 11.454 1.00 22.31 N ATOM 1531 CA LEU B 37 1.626 11.420 10.864 1.00 53.43 C ATOM 1532 C LEU B 37 1.723 10.869 9.446 1.00 64.45 C ATOM 1533 O LEU B 37 1.145 9.828 9.134 1.00 44.34 O ATOM 1534 CB LEU B 37 0.887 12.760 10.853 1.00 72.21 C ATOM 1535 CG LEU B 37 -0.520 12.745 10.254 1.00 42.01 C ATOM 1536 CD1 LEU B 37 -1.473 11.964 11.146 1.00 3.51 C ATOM 1537 CD2 LEU B 37 -1.026 14.165 10.045 1.00 52.45 C ATOM 1538 HA LEU B 37 1.068 10.708 11.472 1.00 0.00 H ATOM 1539 HB2 LEU B 37 0.807 13.106 11.884 1.00 0.00 H ATOM 1540 HB3 LEU B 37 1.486 13.467 10.279 1.00 0.00 H ATOM 1541 HG LEU B 37 -0.475 12.250 9.284 1.00 0.00 H ATOM 1542 HD21 LEU B 37 -1.054 14.684 11.003 1.00 0.00 H ATOM 1543 HD22 LEU B 37 -0.357 14.691 9.365 1.00 0.00 H ATOM 1544 HD23 LEU B 37 -2.028 14.133 9.618 1.00 0.00 H ATOM 1545 HD11 LEU B 37 -1.119 10.938 11.243 1.00 0.00 H ATOM 1546 HD12 LEU B 37 -1.512 12.431 12.130 1.00 0.00 H ATOM 1547 HD13 LEU B 37 -2.468 11.966 10.702 1.00 0.00 H ATOM 1548 H LEU B 37 3.215 12.498 11.864 1.00 0.00 H ATOM 1549 N MET B 38 2.459 11.572 8.592 1.00 24.25 N ATOM 1550 CA MET B 38 2.636 11.150 7.207 1.00 33.32 C ATOM 1551 C MET B 38 3.446 9.860 7.131 1.00 15.34 C ATOM 1552 O MET B 38 3.310 9.083 6.186 1.00 1.52 O ATOM 1553 CB MET B 38 3.329 12.249 6.401 1.00 44.25 C ATOM 1554 CG MET B 38 3.553 11.884 4.942 1.00 13.21 C ATOM 1555 SD MET B 38 5.296 11.908 4.481 1.00 0.12 S ATOM 1556 CE MET B 38 5.854 10.358 5.185 1.00 70.51 C ATOM 1557 HA MET B 38 1.650 10.965 6.781 1.00 0.00 H ATOM 1558 HB2 MET B 38 2.713 13.147 6.441 1.00 0.00 H ATOM 1559 HB3 MET B 38 4.297 12.454 6.858 1.00 0.00 H ATOM 1560 HG2 MET B 38 3.016 12.598 4.317 1.00 0.00 H ATOM 1561 HG3 MET B 38 3.159 10.883 4.768 1.00 0.00 H ATOM 1562 HE1 MET B 38 5.687 10.369 6.262 1.00 0.00 H ATOM 1563 HE2 MET B 38 5.296 9.535 4.738 1.00 0.00 H ATOM 1564 HE3 MET B 38 6.917 10.230 4.982 1.00 0.00 H ATOM 1565 H MET B 38 2.920 12.445 8.919 1.00 0.00 H ATOM 1566 N LYS B 39 4.292 9.637 8.132 1.00 40.21 N ATOM 1567 CA LYS B 39 5.124 8.441 8.180 1.00 44.34 C ATOM 1568 C LYS B 39 4.274 7.181 8.053 1.00 24.10 C ATOM 1569 O LYS B 39 4.734 6.159 7.542 1.00 1.14 O ATOM 1570 CB LYS B 39 5.922 8.401 9.486 1.00 44.34 C ATOM 1571 CG LYS B 39 7.302 7.786 9.337 1.00 44.21 C ATOM 1572 CD LYS B 39 8.035 7.733 10.666 1.00 34.43 C ATOM 1573 CE LYS B 39 9.529 7.516 10.472 1.00 65.43 C ATOM 1574 NZ LYS B 39 10.315 7.978 11.648 1.00 44.41 N ATOM 1575 HA LYS B 39 5.817 8.477 7.339 1.00 0.00 H ATOM 1576 HB2 LYS B 39 6.037 9.422 9.851 1.00 0.00 H ATOM 1577 HB3 LYS B 39 5.361 7.817 10.215 1.00 0.00 H ATOM 1578 HG2 LYS B 39 7.198 6.773 8.949 1.00 0.00 H ATOM 1579 HG3 LYS B 39 7.883 8.385 8.636 1.00 0.00 H ATOM 1580 HD2 LYS B 39 7.879 8.674 11.194 1.00 0.00 H ATOM 1581 HD3 LYS B 39 7.632 6.913 11.260 1.00 0.00 H ATOM 1582 HE2 LYS B 39 9.854 8.070 9.591 1.00 0.00 H ATOM 1583 HE3 LYS B 39 9.714 6.453 10.320 1.00 0.00 H ATOM 1584 HZ1 LYS B 39 10.150 8.994 11.796 1.00 0.00 H ATOM 1585 HZ2 LYS B 39 10.016 7.450 12.493 1.00 0.00 H ATOM 1586 HZ3 LYS B 39 11.327 7.812 11.474 1.00 0.00 H ATOM 1587 H LYS B 39 4.362 10.334 8.901 1.00 0.00 H ATOM 1588 N LEU B 40 3.033 7.261 8.519 1.00 61.02 N ATOM 1589 CA LEU B 40 2.117 6.127 8.455 1.00 14.44 C ATOM 1590 C LEU B 40 1.854 5.719 7.009 1.00 32.23 C ATOM 1591 O LEU B 40 1.593 4.551 6.721 1.00 70.44 O ATOM 1592 CB LEU B 40 0.797 6.472 9.147 1.00 14.33 C ATOM 1593 CG LEU B 40 0.797 6.381 10.674 1.00 50.21 C ATOM 1594 CD1 LEU B 40 -0.372 7.163 11.254 1.00 41.31 C ATOM 1595 CD2 LEU B 40 0.743 4.928 11.122 1.00 65.30 C ATOM 1596 HA LEU B 40 2.582 5.287 8.971 1.00 0.00 H ATOM 1597 HB2 LEU B 40 0.534 7.494 8.873 1.00 0.00 H ATOM 1598 HB3 LEU B 40 0.035 5.789 8.772 1.00 0.00 H ATOM 1599 HG LEU B 40 1.723 6.820 11.045 1.00 0.00 H ATOM 1600 HD21 LEU B 40 -0.166 4.465 10.739 1.00 0.00 H ATOM 1601 HD22 LEU B 40 1.613 4.397 10.735 1.00 0.00 H ATOM 1602 HD23 LEU B 40 0.744 4.885 12.211 1.00 0.00 H ATOM 1603 HD11 LEU B 40 -0.289 8.210 10.961 1.00 0.00 H ATOM 1604 HD12 LEU B 40 -1.307 6.751 10.874 1.00 0.00 H ATOM 1605 HD13 LEU B 40 -0.355 7.086 12.341 1.00 0.00 H ATOM 1606 H LEU B 40 2.706 8.154 8.940 1.00 0.00 H ATOM 1607 N CYS B 41 1.929 6.688 6.104 1.00 24.02 N ATOM 1608 CA CYS B 41 1.701 6.430 4.686 1.00 71.40 C ATOM 1609 C CYS B 41 2.862 5.647 4.082 1.00 73.11 C ATOM 1610 O CYS B 41 2.657 4.640 3.405 1.00 13.43 O ATOM 1611 CB CYS B 41 1.510 7.746 3.931 1.00 50.33 C ATOM 1612 SG CYS B 41 0.328 8.876 4.704 1.00 63.25 S ATOM 1613 HA CYS B 41 0.795 5.831 4.592 1.00 0.00 H ATOM 1614 HB2 CYS B 41 1.157 7.516 2.926 1.00 0.00 H ATOM 1615 HB3 CYS B 41 2.475 8.249 3.870 1.00 0.00 H ATOM 1616 HG CYS B 41 0.762 9.195 5.974 1.00 0.00 H ATOM 1617 H CYS B 41 2.156 7.655 6.414 1.00 0.00 H ATOM 1618 N GLU B 42 4.080 6.117 4.333 1.00 62.21 N ATOM 1619 CA GLU B 42 5.273 5.461 3.810 1.00 55.51 C ATOM 1620 C GLU B 42 5.447 4.077 4.427 1.00 71.44 C ATOM 1621 O GLU B 42 6.058 3.192 3.829 1.00 74.14 O ATOM 1622 CB GLU B 42 6.512 6.314 4.088 1.00 2.42 C ATOM 1623 CG GLU B 42 7.211 6.801 2.829 1.00 23.52 C ATOM 1624 CD GLU B 42 8.446 7.628 3.129 1.00 72.03 C ATOM 1625 OE1 GLU B 42 8.997 8.233 2.186 1.00 22.22 O ATOM 1626 OE2 GLU B 42 8.860 7.670 4.306 1.00 53.03 O ATOM 1627 HA GLU B 42 5.152 5.347 2.733 1.00 0.00 H ATOM 1628 HB2 GLU B 42 6.209 7.183 4.672 1.00 0.00 H ATOM 1629 HB3 GLU B 42 7.218 5.718 4.666 1.00 0.00 H ATOM 1630 HG2 GLU B 42 7.506 5.935 2.236 1.00 0.00 H ATOM 1631 HG3 GLU B 42 6.513 7.411 2.256 1.00 0.00 H ATOM 1632 H GLU B 42 4.185 6.972 4.916 1.00 0.00 H ATOM 1633 N GLU B 43 4.903 3.897 5.628 1.00 71.21 N ATOM 1634 CA GLU B 43 4.999 2.621 6.326 1.00 32.23 C ATOM 1635 C GLU B 43 4.466 1.485 5.458 1.00 75.34 C ATOM 1636 O GLU B 43 4.890 0.338 5.589 1.00 22.34 O ATOM 1637 CB GLU B 43 4.226 2.677 7.645 1.00 24.34 C ATOM 1638 CG GLU B 43 4.911 3.507 8.717 1.00 55.12 C ATOM 1639 CD GLU B 43 5.629 2.654 9.746 1.00 44.34 C ATOM 1640 OE1 GLU B 43 4.941 2.018 10.571 1.00 34.32 O ATOM 1641 OE2 GLU B 43 6.877 2.625 9.726 1.00 75.14 O ATOM 1642 HA GLU B 43 6.051 2.430 6.538 1.00 0.00 H ATOM 1643 HB2 GLU B 43 3.244 3.107 7.451 1.00 0.00 H ATOM 1644 HB3 GLU B 43 4.108 1.660 8.019 1.00 0.00 H ATOM 1645 HG2 GLU B 43 5.638 4.164 8.239 1.00 0.00 H ATOM 1646 HG3 GLU B 43 4.159 4.109 9.226 1.00 0.00 H ATOM 1647 H GLU B 43 4.397 4.686 6.079 1.00 0.00 H ATOM 1648 N ALA B 44 3.530 1.813 4.573 1.00 45.34 N ATOM 1649 CA ALA B 44 2.939 0.822 3.683 1.00 61.21 C ATOM 1650 C ALA B 44 4.016 0.037 2.942 1.00 32.24 C ATOM 1651 O ALA B 44 3.928 -1.184 2.812 1.00 71.01 O ATOM 1652 CB ALA B 44 1.999 1.495 2.693 1.00 30.11 C ATOM 1653 HA ALA B 44 2.368 0.120 4.290 1.00 0.00 H ATOM 1654 HB1 ALA B 44 1.204 2.004 3.238 1.00 0.00 H ATOM 1655 HB2 ALA B 44 2.557 2.220 2.100 1.00 0.00 H ATOM 1656 HB3 ALA B 44 1.566 0.741 2.035 1.00 0.00 H ATOM 1657 H ALA B 44 3.212 2.801 4.514 1.00 0.00 H ATOM 1658 N ALA B 45 5.031 0.746 2.459 1.00 30.34 N ATOM 1659 CA ALA B 45 6.126 0.114 1.732 1.00 34.04 C ATOM 1660 C ALA B 45 7.062 -0.625 2.684 1.00 60.13 C ATOM 1661 O ALA B 45 7.767 -1.551 2.283 1.00 33.30 O ATOM 1662 CB ALA B 45 6.896 1.152 0.932 1.00 11.43 C ATOM 1663 HA ALA B 45 5.700 -0.616 1.044 1.00 0.00 H ATOM 1664 HB1 ALA B 45 6.225 1.631 0.219 1.00 0.00 H ATOM 1665 HB2 ALA B 45 7.304 1.902 1.610 1.00 0.00 H ATOM 1666 HB3 ALA B 45 7.710 0.665 0.395 1.00 0.00 H ATOM 1667 H ALA B 45 5.045 1.776 2.603 1.00 0.00 H ATOM 1668 N LYS B 46 7.065 -0.208 3.945 1.00 60.30 N ATOM 1669 CA LYS B 46 7.914 -0.830 4.955 1.00 43.34 C ATOM 1670 C LYS B 46 7.437 -2.244 5.270 1.00 74.23 C ATOM 1671 O LYS B 46 8.234 -3.181 5.324 1.00 74.35 O ATOM 1672 CB LYS B 46 7.924 0.013 6.232 1.00 73.43 C ATOM 1673 CG LYS B 46 9.317 0.416 6.684 1.00 50.14 C ATOM 1674 CD LYS B 46 9.555 1.905 6.493 1.00 33.24 C ATOM 1675 CE LYS B 46 9.878 2.236 5.044 1.00 14.03 C ATOM 1676 NZ LYS B 46 9.697 3.686 4.754 1.00 32.43 N ATOM 1677 HA LYS B 46 8.927 -0.887 4.557 1.00 0.00 H ATOM 1678 HB2 LYS B 46 7.344 0.918 6.052 1.00 0.00 H ATOM 1679 HB3 LYS B 46 7.456 -0.564 7.030 1.00 0.00 H ATOM 1680 HG2 LYS B 46 9.432 0.171 7.740 1.00 0.00 H ATOM 1681 HG3 LYS B 46 10.053 -0.138 6.102 1.00 0.00 H ATOM 1682 HD2 LYS B 46 8.658 2.448 6.789 1.00 0.00 H ATOM 1683 HD3 LYS B 46 10.390 2.214 7.122 1.00 0.00 H ATOM 1684 HE2 LYS B 46 9.218 1.661 4.395 1.00 0.00 H ATOM 1685 HE3 LYS B 46 10.913 1.962 4.842 1.00 0.00 H ATOM 1686 HZ1 LYS B 46 8.709 3.955 4.939 1.00 0.00 H ATOM 1687 HZ2 LYS B 46 10.329 4.242 5.365 1.00 0.00 H ATOM 1688 HZ3 LYS B 46 9.927 3.870 3.757 1.00 0.00 H ATOM 1689 H LYS B 46 6.446 0.582 4.219 1.00 0.00 H ATOM 1690 N LYS B 47 6.132 -2.392 5.477 1.00 4.23 N ATOM 1691 CA LYS B 47 5.549 -3.692 5.784 1.00 60.12 C ATOM 1692 C LYS B 47 5.658 -4.634 4.589 1.00 50.11 C ATOM 1693 O LYS B 47 6.227 -5.720 4.693 1.00 71.32 O ATOM 1694 CB LYS B 47 4.081 -3.532 6.188 1.00 33.42 C ATOM 1695 CG LYS B 47 3.886 -3.229 7.663 1.00 11.31 C ATOM 1696 CD LYS B 47 4.202 -1.778 7.980 1.00 14.52 C ATOM 1697 CE LYS B 47 4.250 -1.532 9.481 1.00 40.24 C ATOM 1698 NZ LYS B 47 5.399 -2.230 10.122 1.00 43.43 N ATOM 1699 HA LYS B 47 6.105 -4.124 6.616 1.00 0.00 H ATOM 1700 HB2 LYS B 47 3.651 -2.715 5.608 1.00 0.00 H ATOM 1701 HB3 LYS B 47 3.556 -4.458 5.954 1.00 0.00 H ATOM 1702 HG2 LYS B 47 2.850 -3.433 7.933 1.00 0.00 H ATOM 1703 HG3 LYS B 47 4.545 -3.871 8.247 1.00 0.00 H ATOM 1704 HD2 LYS B 47 5.170 -1.524 7.548 1.00 0.00 H ATOM 1705 HD3 LYS B 47 3.432 -1.144 7.541 1.00 0.00 H ATOM 1706 HE2 LYS B 47 3.324 -1.894 9.927 1.00 0.00 H ATOM 1707 HE3 LYS B 47 4.344 -0.461 9.660 1.00 0.00 H ATOM 1708 HZ1 LYS B 47 5.314 -3.254 9.962 1.00 0.00 H ATOM 1709 HZ2 LYS B 47 6.288 -1.885 9.706 1.00 0.00 H ATOM 1710 HZ3 LYS B 47 5.395 -2.036 11.144 1.00 0.00 H ATOM 1711 H LYS B 47 5.512 -1.559 5.418 1.00 0.00 H ATOM 1712 N ALA B 48 5.111 -4.210 3.454 1.00 52.33 N ATOM 1713 CA ALA B 48 5.151 -5.014 2.239 1.00 53.23 C ATOM 1714 C ALA B 48 6.581 -5.411 1.890 1.00 1.44 C ATOM 1715 O ALA B 48 6.811 -6.436 1.250 1.00 12.52 O ATOM 1716 CB ALA B 48 4.514 -4.255 1.084 1.00 23.33 C ATOM 1717 HA ALA B 48 4.583 -5.927 2.417 1.00 0.00 H ATOM 1718 HB1 ALA B 48 3.476 -4.029 1.328 1.00 0.00 H ATOM 1719 HB2 ALA B 48 5.060 -3.327 0.916 1.00 0.00 H ATOM 1720 HB3 ALA B 48 4.551 -4.868 0.184 1.00 0.00 H ATOM 1721 H ALA B 48 4.643 -3.282 3.433 1.00 0.00 H ATOM 1722 N GLU B 49 7.538 -4.591 2.314 1.00 13.14 N ATOM 1723 CA GLU B 49 8.946 -4.858 2.044 1.00 54.22 C ATOM 1724 C GLU B 49 9.440 -6.052 2.856 1.00 42.23 C ATOM 1725 O GLU B 49 10.140 -6.920 2.338 1.00 65.55 O ATOM 1726 CB GLU B 49 9.793 -3.624 2.366 1.00 45.54 C ATOM 1727 CG GLU B 49 11.289 -3.883 2.318 1.00 12.02 C ATOM 1728 CD GLU B 49 11.861 -4.246 3.675 1.00 62.32 C ATOM 1729 OE1 GLU B 49 12.502 -5.313 3.781 1.00 55.23 O ATOM 1730 OE2 GLU B 49 11.668 -3.464 4.629 1.00 11.31 O ATOM 1731 HA GLU B 49 9.047 -5.094 0.985 1.00 0.00 H ATOM 1732 HB2 GLU B 49 9.555 -2.844 1.643 1.00 0.00 H ATOM 1733 HB3 GLU B 49 9.535 -3.280 3.368 1.00 0.00 H ATOM 1734 HG2 GLU B 49 11.480 -4.704 1.627 1.00 0.00 H ATOM 1735 HG3 GLU B 49 11.788 -2.984 1.958 1.00 0.00 H ATOM 1736 H GLU B 49 7.276 -3.739 2.851 1.00 0.00 H ATOM 1737 N GLU B 50 9.069 -6.086 4.132 1.00 71.44 N ATOM 1738 CA GLU B 50 9.474 -7.173 5.015 1.00 51.10 C ATOM 1739 C GLU B 50 9.095 -8.527 4.423 1.00 41.22 C ATOM 1740 O GLU B 50 9.926 -9.431 4.327 1.00 41.34 O ATOM 1741 CB GLU B 50 8.830 -7.007 6.393 1.00 40.01 C ATOM 1742 CG GLU B 50 9.830 -6.741 7.506 1.00 42.21 C ATOM 1743 CD GLU B 50 9.377 -7.294 8.843 1.00 23.02 C ATOM 1744 OE1 GLU B 50 8.180 -7.626 8.971 1.00 54.30 O ATOM 1745 OE2 GLU B 50 10.219 -7.396 9.759 1.00 31.55 O ATOM 1746 HA GLU B 50 10.558 -7.135 5.122 1.00 0.00 H ATOM 1747 HB2 GLU B 50 8.133 -6.170 6.349 1.00 0.00 H ATOM 1748 HB3 GLU B 50 8.285 -7.920 6.631 1.00 0.00 H ATOM 1749 HG2 GLU B 50 10.780 -7.205 7.240 1.00 0.00 H ATOM 1750 HG3 GLU B 50 9.967 -5.664 7.602 1.00 0.00 H ATOM 1751 H GLU B 50 8.476 -5.319 4.509 1.00 0.00 H ATOM 1752 N LEU B 51 7.833 -8.660 4.027 1.00 1.23 N ATOM 1753 CA LEU B 51 7.341 -9.903 3.444 1.00 14.13 C ATOM 1754 C LEU B 51 7.876 -10.090 2.029 1.00 22.00 C ATOM 1755 O LEU B 51 8.084 -11.215 1.575 1.00 13.05 O ATOM 1756 CB LEU B 51 5.811 -9.912 3.429 1.00 33.15 C ATOM 1757 CG LEU B 51 5.140 -8.723 2.741 1.00 11.54 C ATOM 1758 CD1 LEU B 51 4.878 -9.032 1.276 1.00 62.34 C ATOM 1759 CD2 LEU B 51 3.845 -8.357 3.452 1.00 44.45 C ATOM 1760 HA LEU B 51 7.697 -10.730 4.059 1.00 0.00 H ATOM 1761 HB2 LEU B 51 5.488 -10.819 2.918 1.00 0.00 H ATOM 1762 HB3 LEU B 51 5.467 -9.937 4.463 1.00 0.00 H ATOM 1763 HG LEU B 51 5.814 -7.868 2.795 1.00 0.00 H ATOM 1764 HD21 LEU B 51 3.166 -9.209 3.429 1.00 0.00 H ATOM 1765 HD22 LEU B 51 4.062 -8.092 4.487 1.00 0.00 H ATOM 1766 HD23 LEU B 51 3.382 -7.509 2.948 1.00 0.00 H ATOM 1767 HD11 LEU B 51 5.823 -9.243 0.776 1.00 0.00 H ATOM 1768 HD12 LEU B 51 4.223 -9.900 1.201 1.00 0.00 H ATOM 1769 HD13 LEU B 51 4.400 -8.173 0.805 1.00 0.00 H ATOM 1770 H LEU B 51 7.180 -7.858 4.136 1.00 0.00 H ATOM 1771 N PHE B 52 8.100 -8.979 1.335 1.00 40.43 N ATOM 1772 CA PHE B 52 8.613 -9.019 -0.030 1.00 73.32 C ATOM 1773 C PHE B 52 9.980 -9.696 -0.078 1.00 73.41 C ATOM 1774 O PHE B 52 10.389 -10.222 -1.112 1.00 31.10 O ATOM 1775 CB PHE B 52 8.712 -7.604 -0.603 1.00 72.23 C ATOM 1776 CG PHE B 52 9.404 -7.543 -1.934 1.00 11.44 C ATOM 1777 CD1 PHE B 52 8.817 -8.092 -3.062 1.00 52.14 C ATOM 1778 CD2 PHE B 52 10.644 -6.937 -2.058 1.00 33.44 C ATOM 1779 CE1 PHE B 52 9.452 -8.038 -4.288 1.00 41.42 C ATOM 1780 CE2 PHE B 52 11.285 -6.879 -3.281 1.00 33.24 C ATOM 1781 CZ PHE B 52 10.688 -7.430 -4.398 1.00 54.22 C ATOM 1782 HA PHE B 52 7.917 -9.600 -0.635 1.00 0.00 H ATOM 1783 HB2 PHE B 52 7.703 -7.208 -0.720 1.00 0.00 H ATOM 1784 HB3 PHE B 52 9.265 -6.984 0.102 1.00 0.00 H ATOM 1785 HD2 PHE B 52 11.120 -6.501 -1.180 1.00 0.00 H ATOM 1786 HE2 PHE B 52 12.260 -6.399 -3.364 1.00 0.00 H ATOM 1787 HZ PHE B 52 11.191 -7.385 -5.364 1.00 0.00 H ATOM 1788 HE1 PHE B 52 8.978 -8.475 -5.167 1.00 0.00 H ATOM 1789 HD1 PHE B 52 7.842 -8.573 -2.982 1.00 0.00 H ATOM 1790 H PHE B 52 7.905 -8.058 1.776 1.00 0.00 H ATOM 1791 N LYS B 53 10.681 -9.678 1.050 1.00 13.25 N ATOM 1792 CA LYS B 53 12.002 -10.290 1.140 1.00 14.32 C ATOM 1793 C LYS B 53 11.902 -11.811 1.082 1.00 73.30 C ATOM 1794 O LYS B 53 12.510 -12.451 0.224 1.00 22.23 O ATOM 1795 CB LYS B 53 12.697 -9.863 2.435 1.00 14.10 C ATOM 1796 CG LYS B 53 13.963 -10.647 2.733 1.00 61.10 C ATOM 1797 CD LYS B 53 13.680 -11.848 3.619 1.00 13.12 C ATOM 1798 CE LYS B 53 14.490 -11.795 4.906 1.00 51.45 C ATOM 1799 NZ LYS B 53 13.925 -10.816 5.877 1.00 31.33 N ATOM 1800 HA LYS B 53 12.592 -9.950 0.289 1.00 0.00 H ATOM 1801 HB2 LYS B 53 12.956 -8.807 2.355 1.00 0.00 H ATOM 1802 HB3 LYS B 53 12.001 -10.004 3.262 1.00 0.00 H ATOM 1803 HG2 LYS B 53 14.394 -10.993 1.794 1.00 0.00 H ATOM 1804 HG3 LYS B 53 14.674 -9.993 3.239 1.00 0.00 H ATOM 1805 HD2 LYS B 53 12.619 -11.862 3.868 1.00 0.00 H ATOM 1806 HD3 LYS B 53 13.937 -12.758 3.076 1.00 0.00 H ATOM 1807 HE2 LYS B 53 15.513 -11.505 4.667 1.00 0.00 H ATOM 1808 HE3 LYS B 53 14.492 -12.785 5.363 1.00 0.00 H ATOM 1809 HZ1 LYS B 53 13.926 -9.867 5.451 1.00 0.00 H ATOM 1810 HZ2 LYS B 53 12.950 -11.089 6.115 1.00 0.00 H ATOM 1811 HZ3 LYS B 53 14.506 -10.811 6.740 1.00 0.00 H ATOM 1812 H LYS B 53 10.278 -9.216 1.890 1.00 0.00 H ATOM 1813 N LEU B 54 11.131 -12.384 2.000 1.00 62.43 N ATOM 1814 CA LEU B 54 10.949 -13.831 2.052 1.00 1.33 C ATOM 1815 C LEU B 54 10.074 -14.311 0.900 1.00 60.51 C ATOM 1816 O LEU B 54 10.165 -15.464 0.477 1.00 10.12 O ATOM 1817 CB LEU B 54 10.325 -14.238 3.388 1.00 40.02 C ATOM 1818 CG LEU B 54 11.095 -15.282 4.198 1.00 70.24 C ATOM 1819 CD1 LEU B 54 11.359 -16.522 3.358 1.00 60.04 C ATOM 1820 CD2 LEU B 54 12.402 -14.697 4.715 1.00 63.31 C ATOM 1821 HA LEU B 54 11.928 -14.300 1.958 1.00 0.00 H ATOM 1822 HB2 LEU B 54 10.234 -13.341 4.001 1.00 0.00 H ATOM 1823 HB3 LEU B 54 9.332 -14.640 3.184 1.00 0.00 H ATOM 1824 HG LEU B 54 10.486 -15.572 5.054 1.00 0.00 H ATOM 1825 HD21 LEU B 54 13.015 -14.379 3.872 1.00 0.00 H ATOM 1826 HD22 LEU B 54 12.188 -13.840 5.353 1.00 0.00 H ATOM 1827 HD23 LEU B 54 12.936 -15.455 5.289 1.00 0.00 H ATOM 1828 HD11 LEU B 54 10.410 -16.952 3.038 1.00 0.00 H ATOM 1829 HD12 LEU B 54 11.948 -16.248 2.483 1.00 0.00 H ATOM 1830 HD13 LEU B 54 11.908 -17.252 3.953 1.00 0.00 H ATOM 1831 H LEU B 54 10.645 -11.786 2.699 1.00 0.00 H ATOM 1832 N ALA B 55 9.226 -13.421 0.395 1.00 73.02 N ATOM 1833 CA ALA B 55 8.337 -13.753 -0.710 1.00 41.41 C ATOM 1834 C ALA B 55 9.123 -14.265 -1.913 1.00 11.13 C ATOM 1835 O ALA B 55 8.594 -15.003 -2.743 1.00 71.35 O ATOM 1836 CB ALA B 55 7.503 -12.541 -1.100 1.00 14.04 C ATOM 1837 HA ALA B 55 7.670 -14.549 -0.379 1.00 0.00 H ATOM 1838 HB1 ALA B 55 6.906 -12.222 -0.246 1.00 0.00 H ATOM 1839 HB2 ALA B 55 8.164 -11.730 -1.406 1.00 0.00 H ATOM 1840 HB3 ALA B 55 6.844 -12.806 -1.927 1.00 0.00 H ATOM 1841 H ALA B 55 9.196 -12.463 0.799 1.00 0.00 H ATOM 1842 N GLU B 56 10.388 -13.867 -1.999 1.00 24.02 N ATOM 1843 CA GLU B 56 11.247 -14.285 -3.102 1.00 35.10 C ATOM 1844 C GLU B 56 11.726 -15.720 -2.904 1.00 54.22 C ATOM 1845 O GLU B 56 12.035 -16.419 -3.868 1.00 34.54 O ATOM 1846 CB GLU B 56 12.449 -13.347 -3.226 1.00 54.44 C ATOM 1847 CG GLU B 56 12.119 -11.893 -2.934 1.00 40.34 C ATOM 1848 CD GLU B 56 13.269 -10.957 -3.254 1.00 64.03 C ATOM 1849 OE1 GLU B 56 14.048 -11.272 -4.178 1.00 43.23 O ATOM 1850 OE2 GLU B 56 13.389 -9.912 -2.581 1.00 21.45 O ATOM 1851 HA GLU B 56 10.663 -14.238 -4.021 1.00 0.00 H ATOM 1852 HB2 GLU B 56 13.216 -13.674 -2.524 1.00 0.00 H ATOM 1853 HB3 GLU B 56 12.836 -13.415 -4.243 1.00 0.00 H ATOM 1854 HG2 GLU B 56 11.256 -11.604 -3.534 1.00 0.00 H ATOM 1855 HG3 GLU B 56 11.874 -11.796 -1.876 1.00 0.00 H ATOM 1856 H GLU B 56 10.775 -13.243 -1.263 1.00 0.00 H ATOM 1857 N GLU B 57 11.785 -16.150 -1.647 1.00 3.43 N ATOM 1858 CA GLU B 57 12.229 -17.501 -1.323 1.00 63.14 C ATOM 1859 C GLU B 57 11.304 -18.541 -1.949 1.00 21.20 C ATOM 1860 O GLU B 57 11.761 -19.485 -2.595 1.00 12.25 O ATOM 1861 CB GLU B 57 12.279 -17.695 0.194 1.00 53.12 C ATOM 1862 CG GLU B 57 12.850 -19.038 0.617 1.00 13.22 C ATOM 1863 CD GLU B 57 14.225 -18.915 1.245 1.00 52.12 C ATOM 1864 OE1 GLU B 57 15.056 -18.153 0.707 1.00 53.03 O ATOM 1865 OE2 GLU B 57 14.471 -19.580 2.272 1.00 60.13 O ATOM 1866 HA GLU B 57 13.230 -17.636 -1.732 1.00 0.00 H ATOM 1867 HB2 GLU B 57 12.898 -16.907 0.622 1.00 0.00 H ATOM 1868 HB3 GLU B 57 11.265 -17.612 0.586 1.00 0.00 H ATOM 1869 HG2 GLU B 57 12.174 -19.492 1.342 1.00 0.00 H ATOM 1870 HG3 GLU B 57 12.923 -19.679 -0.262 1.00 0.00 H ATOM 1871 H GLU B 57 11.508 -15.508 -0.877 1.00 0.00 H ATOM 1872 N ARG B 58 10.002 -18.363 -1.753 1.00 42.43 N ATOM 1873 CA ARG B 58 9.013 -19.287 -2.296 1.00 51.51 C ATOM 1874 C ARG B 58 8.790 -19.030 -3.784 1.00 70.04 C ATOM 1875 O ARG B 58 8.326 -19.908 -4.513 1.00 54.23 O ATOM 1876 CB ARG B 58 7.690 -19.152 -1.541 1.00 33.41 C ATOM 1877 CG ARG B 58 7.103 -17.751 -1.581 1.00 25.14 C ATOM 1878 CD ARG B 58 6.900 -17.191 -0.182 1.00 65.04 C ATOM 1879 NE ARG B 58 6.101 -18.084 0.653 1.00 41.53 N ATOM 1880 CZ ARG B 58 4.774 -18.139 0.609 1.00 54.34 C ATOM 1881 NH1 ARG B 58 4.102 -17.358 -0.226 1.00 21.24 N ATOM 1882 NH2 ARG B 58 4.117 -18.977 1.401 1.00 2.12 N ATOM 1883 HA ARG B 58 9.392 -20.301 -2.172 1.00 0.00 H ATOM 1884 HB2 ARG B 58 6.969 -19.840 -1.983 1.00 0.00 H ATOM 1885 HB3 ARG B 58 7.859 -19.425 -0.499 1.00 0.00 H ATOM 1886 HG2 ARG B 58 7.782 -17.098 -2.129 1.00 0.00 H ATOM 1887 HG3 ARG B 58 6.141 -17.784 -2.092 1.00 0.00 H ATOM 1888 HD2 ARG B 58 6.391 -16.230 -0.257 1.00 0.00 H ATOM 1889 HD3 ARG B 58 7.874 -17.049 0.286 1.00 0.00 H ATOM 1890 HE ARG B 58 6.597 -18.711 1.318 1.00 0.00 H ATOM 1891 HH12 ARG B 58 3.063 -17.403 -0.258 1.00 0.00 H ATOM 1892 HH11 ARG B 58 4.614 -16.700 -0.848 1.00 0.00 H ATOM 1893 HH22 ARG B 58 3.078 -19.019 1.366 1.00 0.00 H ATOM 1894 HH21 ARG B 58 4.641 -19.591 2.057 1.00 0.00 H ATOM 1895 H ARG B 58 9.680 -17.544 -1.198 1.00 0.00 H ATOM 1896 N LEU B 59 9.123 -17.823 -4.227 1.00 2.20 N ATOM 1897 CA LEU B 59 8.958 -17.450 -5.629 1.00 73.11 C ATOM 1898 C LEU B 59 10.165 -17.886 -6.453 1.00 65.44 C ATOM 1899 O LEU B 59 10.113 -18.888 -7.169 1.00 50.51 O ATOM 1900 CB LEU B 59 8.759 -15.940 -5.755 1.00 52.44 C ATOM 1901 CG LEU B 59 7.309 -15.456 -5.818 1.00 34.24 C ATOM 1902 CD1 LEU B 59 6.501 -16.045 -4.672 1.00 64.02 C ATOM 1903 CD2 LEU B 59 7.252 -13.936 -5.786 1.00 1.32 C ATOM 1904 HA LEU B 59 8.075 -17.960 -6.014 1.00 0.00 H ATOM 1905 HB2 LEU B 59 9.231 -15.468 -4.893 1.00 0.00 H ATOM 1906 HB3 LEU B 59 9.260 -15.613 -6.666 1.00 0.00 H ATOM 1907 HG LEU B 59 6.873 -15.796 -6.757 1.00 0.00 H ATOM 1908 HD21 LEU B 59 7.706 -13.576 -4.863 1.00 0.00 H ATOM 1909 HD22 LEU B 59 7.797 -13.535 -6.641 1.00 0.00 H ATOM 1910 HD23 LEU B 59 6.212 -13.612 -5.832 1.00 0.00 H ATOM 1911 HD11 LEU B 59 6.515 -17.133 -4.740 1.00 0.00 H ATOM 1912 HD12 LEU B 59 6.938 -15.734 -3.723 1.00 0.00 H ATOM 1913 HD13 LEU B 59 5.473 -15.689 -4.734 1.00 0.00 H ATOM 1914 H LEU B 59 9.511 -17.127 -3.559 1.00 0.00 H ATOM 1915 N LYS B 60 11.252 -17.129 -6.347 1.00 23.51 N ATOM 1916 CA LYS B 60 12.474 -17.439 -7.080 1.00 14.13 C ATOM 1917 C LYS B 60 13.494 -18.123 -6.174 1.00 73.44 C ATOM 1918 O LYS B 60 13.208 -18.419 -5.014 1.00 33.34 O ATOM 1919 CB LYS B 60 13.077 -16.162 -7.669 1.00 54.25 C ATOM 1920 CG LYS B 60 13.203 -15.028 -6.664 1.00 64.43 C ATOM 1921 CD LYS B 60 12.323 -13.848 -7.044 1.00 35.13 C ATOM 1922 CE LYS B 60 12.743 -13.245 -8.375 1.00 51.11 C ATOM 1923 NZ LYS B 60 12.338 -11.816 -8.489 1.00 32.21 N ATOM 1924 HA LYS B 60 12.218 -18.121 -7.891 1.00 0.00 H ATOM 1925 HB2 LYS B 60 14.070 -16.395 -8.052 1.00 0.00 H ATOM 1926 HB3 LYS B 60 12.442 -15.827 -8.489 1.00 0.00 H ATOM 1927 HG2 LYS B 60 12.905 -15.391 -5.680 1.00 0.00 H ATOM 1928 HG3 LYS B 60 14.242 -14.699 -6.629 1.00 0.00 H ATOM 1929 HD2 LYS B 60 11.289 -14.186 -7.118 1.00 0.00 H ATOM 1930 HD3 LYS B 60 12.399 -13.085 -6.269 1.00 0.00 H ATOM 1931 HE2 LYS B 60 12.275 -13.810 -9.181 1.00 0.00 H ATOM 1932 HE3 LYS B 60 13.827 -13.313 -8.467 1.00 0.00 H ATOM 1933 HZ1 LYS B 60 11.304 -11.743 -8.409 1.00 0.00 H ATOM 1934 HZ2 LYS B 60 12.786 -11.268 -7.727 1.00 0.00 H ATOM 1935 HZ3 LYS B 60 12.643 -11.443 -9.411 1.00 0.00 H ATOM 1936 H LYS B 60 11.231 -16.295 -5.726 1.00 0.00 H ATOM 1937 N LYS B 61 14.683 -18.371 -6.710 1.00 3.43 N ATOM 1938 CA LYS B 61 15.747 -19.016 -5.951 1.00 63.51 C ATOM 1939 C LYS B 61 16.923 -18.068 -5.746 1.00 23.42 C ATOM 1940 O LYS B 61 17.872 -18.060 -6.532 1.00 42.32 O ATOM 1941 CB LYS B 61 16.218 -20.283 -6.670 1.00 2.51 C ATOM 1942 CG LYS B 61 15.475 -21.537 -6.243 1.00 54.02 C ATOM 1943 CD LYS B 61 15.354 -22.531 -7.387 1.00 40.41 C ATOM 1944 CE LYS B 61 16.293 -23.712 -7.200 1.00 21.40 C ATOM 1945 NZ LYS B 61 16.426 -24.517 -8.446 1.00 5.42 N ATOM 1946 HA LYS B 61 15.348 -19.287 -4.973 1.00 0.00 H ATOM 1947 HB2 LYS B 61 16.074 -20.145 -7.742 1.00 0.00 H ATOM 1948 HB3 LYS B 61 17.279 -20.423 -6.462 1.00 0.00 H ATOM 1949 HG2 LYS B 61 16.016 -22.007 -5.421 1.00 0.00 H ATOM 1950 HG3 LYS B 61 14.476 -21.260 -5.907 1.00 0.00 H ATOM 1951 HD2 LYS B 61 14.328 -22.897 -7.432 1.00 0.00 H ATOM 1952 HD3 LYS B 61 15.600 -22.027 -8.322 1.00 0.00 H ATOM 1953 HE2 LYS B 61 15.903 -24.351 -6.407 1.00 0.00 H ATOM 1954 HE3 LYS B 61 17.277 -23.339 -6.914 1.00 0.00 H ATOM 1955 HZ1 LYS B 61 15.492 -24.882 -8.722 1.00 0.00 H ATOM 1956 HZ2 LYS B 61 16.804 -23.917 -9.207 1.00 0.00 H ATOM 1957 HZ3 LYS B 61 17.074 -25.312 -8.276 1.00 0.00 H ATOM 1958 H LYS B 61 14.860 -18.098 -7.698 1.00 0.00 H ATOM 1959 N LEU B 62 16.857 -17.271 -4.685 1.00 42.13 N ATOM 1960 CA LEU B 62 17.918 -16.319 -4.376 1.00 60.11 C ATOM 1961 C LEU B 62 19.226 -17.042 -4.074 1.00 12.23 C ATOM 1962 O LEU B 62 19.333 -17.682 -3.028 1.00 21.42 O ATOM 1963 CB LEU B 62 17.517 -15.447 -3.185 1.00 44.14 C ATOM 1964 CG LEU B 62 16.768 -14.157 -3.521 1.00 12.45 C ATOM 1965 CD1 LEU B 62 16.152 -13.556 -2.267 1.00 11.23 C ATOM 1966 CD2 LEU B 62 17.701 -13.158 -4.189 1.00 41.42 C ATOM 1967 HA LEU B 62 18.068 -15.684 -5.249 1.00 0.00 H ATOM 1968 HB2 LEU B 62 16.878 -16.044 -2.534 1.00 0.00 H ATOM 1969 HB3 LEU B 62 18.426 -15.175 -2.649 1.00 0.00 H ATOM 1970 HG LEU B 62 15.965 -14.397 -4.218 1.00 0.00 H ATOM 1971 HD21 LEU B 62 18.525 -12.925 -3.514 1.00 0.00 H ATOM 1972 HD22 LEU B 62 18.095 -13.590 -5.109 1.00 0.00 H ATOM 1973 HD23 LEU B 62 17.150 -12.247 -4.420 1.00 0.00 H ATOM 1974 HD11 LEU B 62 15.452 -14.269 -1.830 1.00 0.00 H ATOM 1975 HD12 LEU B 62 16.940 -13.331 -1.548 1.00 0.00 H ATOM 1976 HD13 LEU B 62 15.623 -12.639 -2.527 1.00 0.00 H ATOM 1977 H LEU B 62 16.028 -17.327 -4.059 1.00 0.00 H TER 1978 LEU B 62 HETATM 1979 F1 HLT A 1 0.025 0.436 0.449 1.00 -0.17 F HETATM 1980 C2 HLT A 1 0.432 0.685 -0.827 1.00 0.42 C HETATM 1981 F2 HLT A 1 1.007 1.920 -0.861 1.00 -0.17 F HETATM 1982 F3 HLT A 1 1.363 -0.242 -1.177 1.00 -0.17 F HETATM 1983 C1 HLT A 1 -0.820 0.644 -1.812 1.00 0.18 C HETATM 1984 BR HLT A 1 -0.279 1.046 -3.562 1.00 -0.06 BR HETATM 1985 CL HLT A 1 -1.592 -0.948 -1.687 1.00 -0.10 CL HETATM 1986 H1 HLT A 1 -1.546 1.407 -1.495 1.00 0.07 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 990 991 1006 1007 1008 CONECT 1006 990 CONECT 1007 990 CONECT 1008 990 CONECT 1979 1980 CONECT 1980 1979 1981 1982 1983 CONECT 1981 1980 CONECT 1982 1980 CONECT 1983 1980 1984 1985 1986 CONECT 1984 1983 CONECT 1985 1983 CONECT 1986 1983 MASTER 0 0 0 0 0 0 0 0 1984 2 16 10 END
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Structure:
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Related entries of code: 2jst
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
No similar entries are found!
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
2jst
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
(Aa2-L1M/L38M)2
Ligand Name
HLT
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=2.6mM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Biophys.J. Vol. 94: pp. 4464-4472
Ligand Properties
Formula
C
2
HBrClF
3
Molecular Weight
197.382
Exact Mass
195.890
No. of atoms
8
No. of bonds
7
Polar Surface Area
0
LOGP Value
2.85 (
Computed with XLOGP3
)
2.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 0
No. of Rings: 0
Canonical SMILES
Cl[C@@H](C(F)(F)F)Br
InChI String
InChI=1S/C2HBrClF3/c3-1(4)2(5,6)7/h1H/t1-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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