Browse entries in the PDBbind-CN Database
HEADER 5HMH_COMPLEX COMPND 5HMH_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 ALA SER ALA SER GLU GLN GLU THR LEU VAL ARG PRO LYS SEQRES 2 A 95 PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA GLN SEQRES 3 A 95 LYS ASP THR TYR THR MET LYS GLU VAL LEU TYR TYR LEU SEQRES 4 A 95 GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU LYS SEQRES 5 A 95 GLN GLN HIS ILE VAL HIS CYS SER ASN ASP LEU LEU GLY SEQRES 6 A 95 ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU HIS SEQRES 7 A 95 ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL VAL SEQRES 8 A 95 VAL ASN GLN GLN HET UNN A 161 89 ATOM 1 N ALA A 19 -10.781 16.420 38.416 1.00 68.70 N ATOM 2 CA ALA A 19 -9.342 16.395 38.169 1.00 68.46 C ATOM 3 C ALA A 19 -8.986 15.996 36.732 1.00 70.42 C ATOM 4 O ALA A 19 -8.023 16.538 36.190 1.00 70.49 O ATOM 5 CB ALA A 19 -8.643 15.487 39.169 1.00 68.03 C ATOM 6 HN3 ALA A 19 -11.178 15.474 38.243 1.00 0.00 H ATOM 7 HN2 ALA A 19 -11.229 17.107 37.777 1.00 0.00 H ATOM 8 HN1 ALA A 19 -10.957 16.696 39.403 1.00 0.00 H ATOM 9 N SER A 20 -9.747 15.051 36.120 1.00 65.13 N ATOM 10 CA SER A 20 -9.533 14.594 34.734 1.00 64.01 C ATOM 11 C SER A 20 -9.544 15.790 33.757 1.00 68.56 C ATOM 12 O SER A 20 -10.411 16.653 33.879 1.00 69.29 O ATOM 13 CB SER A 20 -10.604 13.578 34.349 1.00 62.98 C ATOM 14 H SER A 20 -10.526 14.625 36.661 1.00 0.00 H ATOM 15 N ALA A 21 -8.546 15.878 32.847 1.00 65.07 N ATOM 16 CA ALA A 21 -8.432 16.988 31.877 1.00 66.65 C ATOM 17 C ALA A 21 -9.544 16.947 30.828 1.00 67.83 C ATOM 18 O ALA A 21 -9.934 17.988 30.303 1.00 67.64 O ATOM 19 CB ALA A 21 -7.063 16.988 31.206 1.00 68.26 C ATOM 20 H ALA A 21 -7.825 15.129 32.829 1.00 0.00 H ATOM 21 N SER A 22 -10.061 15.739 30.553 1.00 61.76 N ATOM 22 CA SER A 22 -11.171 15.465 29.638 1.00 61.22 C ATOM 23 C SER A 22 -11.844 14.158 30.069 1.00 62.23 C ATOM 24 O SER A 22 -11.248 13.378 30.823 1.00 60.53 O ATOM 25 CB SER A 22 -10.678 15.356 28.196 1.00 66.13 C ATOM 26 OG SER A 22 -10.070 14.100 27.934 1.00 75.70 O ATOM 27 HG SER A 22 -9.766 14.072 26.992 1.00 0.00 H ATOM 28 H SER A 22 -9.634 14.922 31.034 1.00 0.00 H ATOM 29 N GLU A 23 -13.067 13.909 29.570 1.00 58.07 N ATOM 30 CA GLU A 23 -13.836 12.695 29.858 1.00 55.53 C ATOM 31 C GLU A 23 -13.099 11.422 29.405 1.00 56.07 C ATOM 32 O GLU A 23 -13.022 10.454 30.164 1.00 54.01 O ATOM 33 CB GLU A 23 -15.221 12.789 29.199 1.00 57.43 C ATOM 34 CG GLU A 23 -16.319 12.091 29.981 1.00 69.74 C ATOM 35 CD GLU A 23 -17.023 12.981 30.987 1.00 96.12 C ATOM 36 OE1 GLU A 23 -16.445 13.236 32.071 1.00 82.26 O ATOM 37 OE2 GLU A 23 -18.155 13.428 30.687 1.00 89.83 O ATOM 38 H GLU A 23 -13.493 14.620 28.942 1.00 0.00 H ATOM 39 N GLN A 24 -12.525 11.440 28.184 1.00 51.99 N ATOM 40 CA GLN A 24 -11.768 10.319 27.608 1.00 49.61 C ATOM 41 C GLN A 24 -10.504 9.987 28.411 1.00 48.22 C ATOM 42 O GLN A 24 -9.995 8.868 28.301 1.00 44.03 O ATOM 43 CB GLN A 24 -11.389 10.603 26.144 1.00 52.79 C ATOM 44 CG GLN A 24 -12.540 10.433 25.142 1.00 62.22 C ATOM 45 CD GLN A 24 -13.083 9.020 25.095 1.00 72.71 C ATOM 46 OE1 GLN A 24 -14.185 8.736 25.569 1.00 69.40 O ATOM 47 NE2 GLN A 24 -12.309 8.096 24.551 1.00 55.66 N ATOM 48 HE22 GLN A 24 -11.383 8.359 24.157 1.00 0.00 H ATOM 49 HE21 GLN A 24 -12.626 7.106 24.517 1.00 0.00 H ATOM 50 H GLN A 24 -12.625 12.303 27.613 1.00 0.00 H ATOM 51 N GLU A 25 -10.006 10.961 29.205 1.00 44.61 N ATOM 52 CA GLU A 25 -8.809 10.818 30.046 1.00 44.21 C ATOM 53 C GLU A 25 -9.126 10.458 31.511 1.00 44.01 C ATOM 54 O GLU A 25 -8.216 10.417 32.343 1.00 42.96 O ATOM 55 CB GLU A 25 -7.889 12.050 29.953 1.00 47.94 C ATOM 56 CG GLU A 25 -7.294 12.285 28.566 1.00 63.15 C ATOM 57 CD GLU A 25 -6.443 11.160 27.996 1.00 83.95 C ATOM 58 OE1 GLU A 25 -5.225 11.137 28.283 1.00 87.34 O ATOM 59 OE2 GLU A 25 -6.992 10.305 27.263 1.00 66.13 O ATOM 60 H GLU A 25 -10.504 11.874 29.222 1.00 0.00 H ATOM 61 N THR A 26 -10.400 10.143 31.818 1.00 38.26 N ATOM 62 CA THR A 26 -10.784 9.665 33.151 1.00 36.43 C ATOM 63 C THR A 26 -9.979 8.375 33.436 1.00 38.40 C ATOM 64 O THR A 26 -9.957 7.489 32.586 1.00 35.76 O ATOM 65 CB THR A 26 -12.298 9.352 33.187 1.00 40.05 C ATOM 66 OG1 THR A 26 -13.016 10.571 33.037 1.00 37.44 O ATOM 67 CG2 THR A 26 -12.724 8.664 34.488 1.00 39.96 C ATOM 68 HG1 THR A 26 -13.988 10.385 33.058 1.00 0.00 H ATOM 69 H THR A 26 -11.134 10.242 31.087 1.00 0.00 H ATOM 70 N LEU A 27 -9.354 8.263 34.634 1.00 35.13 N ATOM 71 CA LEU A 27 -8.582 7.066 35.019 1.00 33.33 C ATOM 72 C LEU A 27 -9.478 6.063 35.722 1.00 34.36 C ATOM 73 O LEU A 27 -10.298 6.439 36.567 1.00 32.60 O ATOM 74 CB LEU A 27 -7.376 7.439 35.885 1.00 34.71 C ATOM 75 CG LEU A 27 -6.339 8.358 35.248 1.00 41.21 C ATOM 76 CD1 LEU A 27 -5.334 8.807 36.281 1.00 43.14 C ATOM 77 CD2 LEU A 27 -5.630 7.681 34.071 1.00 42.73 C ATOM 78 H LEU A 27 -9.421 9.052 35.308 1.00 0.00 H ATOM 79 N VAL A 28 -9.389 4.776 35.308 1.00 29.19 N ATOM 80 CA VAL A 28 -10.282 3.740 35.804 1.00 26.77 C ATOM 81 C VAL A 28 -9.507 2.462 36.098 1.00 32.08 C ATOM 82 O VAL A 28 -8.481 2.211 35.468 1.00 33.12 O ATOM 83 CB VAL A 28 -11.476 3.463 34.814 1.00 28.21 C ATOM 84 CG1 VAL A 28 -12.259 4.735 34.493 1.00 27.91 C ATOM 85 CG2 VAL A 28 -11.011 2.793 33.503 1.00 27.70 C ATOM 86 H VAL A 28 -8.659 4.520 34.613 1.00 0.00 H ATOM 87 N ARG A 29 -10.037 1.650 37.006 1.00 29.97 N ATOM 88 CA ARG A 29 -9.488 0.334 37.326 1.00 30.25 C ATOM 89 C ARG A 29 -10.537 -0.689 36.972 1.00 33.89 C ATOM 90 O ARG A 29 -11.529 -0.829 37.685 1.00 32.76 O ATOM 91 CB ARG A 29 -9.018 0.208 38.787 1.00 33.05 C ATOM 92 CG ARG A 29 -7.612 0.745 38.975 1.00 51.84 C ATOM 93 CD ARG A 29 -6.960 0.255 40.258 1.00 71.28 C ATOM 94 NE ARG A 29 -6.001 1.236 40.774 1.00 82.12 N ATOM 95 CZ ARG A 29 -6.099 1.837 41.956 1.00 95.67 C ATOM 96 NH1 ARG A 29 -7.106 1.549 42.775 1.00 80.64 N ATOM 97 NH2 ARG A 29 -5.189 2.725 42.333 1.00 82.12 N ATOM 98 HE ARG A 29 -5.187 1.479 40.174 1.00 0.00 H ATOM 99 HH12 ARG A 29 -7.177 2.022 43.698 1.00 0.00 H ATOM 100 HH11 ARG A 29 -7.823 0.850 42.492 1.00 0.00 H ATOM 101 HH22 ARG A 29 -5.270 3.192 43.259 1.00 0.00 H ATOM 102 HH21 ARG A 29 -4.394 2.954 41.703 1.00 0.00 H ATOM 103 H ARG A 29 -10.886 1.967 37.515 1.00 0.00 H ATOM 104 N PRO A 30 -10.352 -1.400 35.842 1.00 32.46 N ATOM 105 CA PRO A 30 -11.328 -2.434 35.465 1.00 30.88 C ATOM 106 C PRO A 30 -11.500 -3.446 36.577 1.00 32.81 C ATOM 107 O PRO A 30 -10.555 -3.749 37.324 1.00 33.28 O ATOM 108 CB PRO A 30 -10.692 -3.086 34.222 1.00 32.83 C ATOM 109 CG PRO A 30 -9.816 -2.017 33.660 1.00 38.23 C ATOM 110 CD PRO A 30 -9.232 -1.349 34.879 1.00 34.21 C ATOM 111 N LYS A 31 -12.725 -3.947 36.710 1.00 30.39 N ATOM 112 CA LYS A 31 -13.025 -4.978 37.703 1.00 31.13 C ATOM 113 C LYS A 31 -12.367 -6.281 37.237 1.00 34.78 C ATOM 114 O LYS A 31 -11.948 -6.348 36.075 1.00 33.63 O ATOM 115 CB LYS A 31 -14.532 -5.089 37.953 1.00 32.58 C ATOM 116 CG LYS A 31 -15.020 -3.883 38.743 1.00 32.35 C ATOM 117 CD LYS A 31 -16.520 -3.902 38.902 1.00 35.50 C ATOM 118 CE LYS A 31 -16.926 -2.675 39.685 1.00 40.48 C ATOM 119 NZ LYS A 31 -18.397 -2.611 39.858 1.00 44.12 N ATOM 120 HZ1 LYS A 31 -18.853 -2.575 38.924 1.00 0.00 H ATOM 121 HZ2 LYS A 31 -18.721 -3.455 40.372 1.00 0.00 H ATOM 122 HZ3 LYS A 31 -18.644 -1.758 40.399 1.00 0.00 H ATOM 123 H LYS A 31 -13.487 -3.598 36.094 1.00 0.00 H ATOM 124 N PRO A 32 -12.174 -7.278 38.133 1.00 32.76 N ATOM 125 CA PRO A 32 -11.372 -8.456 37.768 1.00 33.52 C ATOM 126 C PRO A 32 -11.625 -9.107 36.412 1.00 35.79 C ATOM 127 O PRO A 32 -10.655 -9.335 35.692 1.00 35.33 O ATOM 128 CB PRO A 32 -11.651 -9.431 38.915 1.00 36.48 C ATOM 129 CG PRO A 32 -11.851 -8.563 40.085 1.00 39.89 C ATOM 130 CD PRO A 32 -12.532 -7.311 39.571 1.00 33.88 C ATOM 131 N LEU A 33 -12.882 -9.380 36.038 1.00 33.18 N ATOM 132 CA LEU A 33 -13.164 -10.052 34.771 1.00 34.27 C ATOM 133 C LEU A 33 -12.917 -9.164 33.553 1.00 35.93 C ATOM 134 O LEU A 33 -12.356 -9.648 32.570 1.00 36.80 O ATOM 135 CB LEU A 33 -14.559 -10.698 34.751 1.00 34.92 C ATOM 136 CG LEU A 33 -14.801 -11.795 35.841 1.00 41.32 C ATOM 137 CD1 LEU A 33 -16.076 -12.563 35.578 1.00 42.30 C ATOM 138 CD2 LEU A 33 -13.637 -12.806 35.920 1.00 45.66 C ATOM 139 H LEU A 33 -13.671 -9.109 36.660 1.00 0.00 H ATOM 140 N LEU A 34 -13.249 -7.864 33.626 1.00 31.59 N ATOM 141 CA LEU A 34 -12.921 -6.974 32.522 1.00 29.85 C ATOM 142 C LEU A 34 -11.391 -6.813 32.431 1.00 33.53 C ATOM 143 O LEU A 34 -10.855 -6.801 31.327 1.00 33.70 O ATOM 144 CB LEU A 34 -13.613 -5.599 32.656 1.00 29.06 C ATOM 145 CG LEU A 34 -13.280 -4.593 31.533 1.00 32.47 C ATOM 146 CD1 LEU A 34 -13.696 -5.120 30.141 1.00 32.88 C ATOM 147 CD2 LEU A 34 -13.897 -3.230 31.818 1.00 31.99 C ATOM 148 H LEU A 34 -13.738 -7.496 34.467 1.00 0.00 H ATOM 149 N LEU A 35 -10.681 -6.792 33.576 1.00 31.63 N ATOM 150 CA LEU A 35 -9.221 -6.705 33.534 1.00 32.10 C ATOM 151 C LEU A 35 -8.624 -7.931 32.812 1.00 37.27 C ATOM 152 O LEU A 35 -7.763 -7.775 31.939 1.00 38.26 O ATOM 153 CB LEU A 35 -8.625 -6.550 34.940 1.00 32.57 C ATOM 154 CG LEU A 35 -7.117 -6.245 35.003 1.00 37.40 C ATOM 155 CD1 LEU A 35 -6.806 -4.886 34.379 1.00 35.71 C ATOM 156 CD2 LEU A 35 -6.609 -6.322 36.437 1.00 41.39 C ATOM 157 H LEU A 35 -11.172 -6.838 34.492 1.00 0.00 H ATOM 158 N LYS A 36 -9.138 -9.121 33.136 1.00 34.94 N ATOM 159 CA LYS A 36 -8.769 -10.410 32.537 1.00 38.05 C ATOM 160 C LYS A 36 -8.938 -10.330 31.009 1.00 41.55 C ATOM 161 O LYS A 36 -8.033 -10.700 30.263 1.00 42.84 O ATOM 162 CB LYS A 36 -9.679 -11.507 33.136 1.00 42.24 C ATOM 163 CG LYS A 36 -9.648 -12.880 32.451 1.00 60.58 C ATOM 164 CD LYS A 36 -10.840 -13.712 32.914 1.00 68.46 C ATOM 165 CE LYS A 36 -11.034 -14.993 32.139 1.00 75.78 C ATOM 166 NZ LYS A 36 -12.335 -15.637 32.466 1.00 80.30 N ATOM 167 HZ1 LYS A 36 -12.365 -15.858 33.482 1.00 0.00 H ATOM 168 HZ2 LYS A 36 -13.111 -14.987 32.228 1.00 0.00 H ATOM 169 HZ3 LYS A 36 -12.434 -16.514 31.916 1.00 0.00 H ATOM 170 H LYS A 36 -9.865 -9.136 33.880 1.00 0.00 H ATOM 171 N LEU A 37 -10.087 -9.794 30.559 1.00 36.65 N ATOM 172 CA LEU A 37 -10.417 -9.610 29.156 1.00 36.20 C ATOM 173 C LEU A 37 -9.396 -8.697 28.482 1.00 39.97 C ATOM 174 O LEU A 37 -8.865 -9.065 27.437 1.00 39.68 O ATOM 175 CB LEU A 37 -11.856 -9.040 29.040 1.00 35.00 C ATOM 176 CG LEU A 37 -12.509 -8.971 27.653 1.00 39.86 C ATOM 177 CD1 LEU A 37 -14.033 -9.021 27.784 1.00 39.90 C ATOM 178 CD2 LEU A 37 -12.134 -7.677 26.914 1.00 42.53 C ATOM 179 H LEU A 37 -10.788 -9.490 31.265 1.00 0.00 H ATOM 180 N LEU A 38 -9.127 -7.507 29.065 1.00 36.88 N ATOM 181 CA LEU A 38 -8.200 -6.541 28.460 1.00 37.45 C ATOM 182 C LEU A 38 -6.783 -7.086 28.380 1.00 42.60 C ATOM 183 O LEU A 38 -6.135 -6.941 27.343 1.00 42.08 O ATOM 184 CB LEU A 38 -8.243 -5.178 29.186 1.00 36.97 C ATOM 185 CG LEU A 38 -9.635 -4.502 29.302 1.00 39.72 C ATOM 186 CD1 LEU A 38 -9.590 -3.313 30.218 1.00 38.98 C ATOM 187 CD2 LEU A 38 -10.228 -4.128 27.914 1.00 39.31 C ATOM 188 H LEU A 38 -9.589 -7.269 29.966 1.00 0.00 H ATOM 189 N LYS A 39 -6.320 -7.750 29.457 1.00 40.98 N ATOM 190 CA LYS A 39 -4.990 -8.355 29.504 1.00 42.26 C ATOM 191 C LYS A 39 -4.799 -9.489 28.481 1.00 47.50 C ATOM 192 O LYS A 39 -3.669 -9.717 28.058 1.00 49.13 O ATOM 193 CB LYS A 39 -4.637 -8.814 30.931 1.00 44.87 C ATOM 194 CG LYS A 39 -4.346 -7.649 31.879 1.00 51.81 C ATOM 195 CD LYS A 39 -3.686 -8.105 33.181 1.00 61.07 C ATOM 196 CE LYS A 39 -3.335 -6.926 34.063 1.00 65.72 C ATOM 197 NZ LYS A 39 -2.830 -7.366 35.393 1.00 75.48 N ATOM 198 HZ1 LYS A 39 -3.562 -7.928 35.872 1.00 0.00 H ATOM 199 HZ2 LYS A 39 -1.976 -7.945 35.264 1.00 0.00 H ATOM 200 HZ3 LYS A 39 -2.600 -6.531 35.969 1.00 0.00 H ATOM 201 H LYS A 39 -6.935 -7.836 30.291 1.00 0.00 H ATOM 202 N SER A 40 -5.901 -10.169 28.056 1.00 43.17 N ATOM 203 CA SER A 40 -5.875 -11.271 27.077 1.00 44.20 C ATOM 204 C SER A 40 -5.486 -10.777 25.671 1.00 50.11 C ATOM 205 O SER A 40 -5.067 -11.578 24.825 1.00 51.69 O ATOM 206 CB SER A 40 -7.222 -11.992 27.034 1.00 45.12 C ATOM 207 OG SER A 40 -8.180 -11.345 26.203 1.00 40.77 O ATOM 208 HG SER A 40 -8.342 -10.428 26.540 1.00 0.00 H ATOM 209 H SER A 40 -6.823 -9.892 28.449 1.00 0.00 H ATOM 210 N VAL A 41 -5.639 -9.461 25.429 1.00 45.78 N ATOM 211 CA VAL A 41 -5.287 -8.827 24.163 1.00 47.52 C ATOM 212 C VAL A 41 -4.102 -7.844 24.325 1.00 55.21 C ATOM 213 O VAL A 41 -4.050 -6.807 23.661 1.00 56.48 O ATOM 214 CB VAL A 41 -6.494 -8.208 23.413 1.00 49.34 C ATOM 215 CG1 VAL A 41 -7.364 -9.305 22.817 1.00 49.47 C ATOM 216 CG2 VAL A 41 -7.311 -7.281 24.315 1.00 46.62 C ATOM 217 H VAL A 41 -6.029 -8.864 26.186 1.00 0.00 H ATOM 218 N GLY A 42 -3.146 -8.217 25.168 1.00 53.01 N ATOM 219 CA GLY A 42 -1.907 -7.473 25.353 1.00 55.03 C ATOM 220 C GLY A 42 -1.898 -6.222 26.207 1.00 58.78 C ATOM 221 O GLY A 42 -0.887 -5.512 26.207 1.00 59.62 O ATOM 222 H GLY A 42 -3.289 -9.084 25.724 1.00 0.00 H ATOM 223 N ALA A 43 -2.984 -5.939 26.961 1.00 53.39 N ATOM 224 CA ALA A 43 -2.978 -4.783 27.861 1.00 51.72 C ATOM 225 C ALA A 43 -2.127 -5.157 29.085 1.00 58.29 C ATOM 226 O ALA A 43 -2.330 -6.211 29.687 1.00 58.00 O ATOM 227 CB ALA A 43 -4.384 -4.402 28.272 1.00 49.85 C ATOM 228 H ALA A 43 -3.827 -6.545 26.902 1.00 0.00 H ATOM 229 N GLN A 44 -1.117 -4.337 29.375 1.00 57.17 N ATOM 230 CA GLN A 44 -0.142 -4.567 30.448 1.00 58.30 C ATOM 231 C GLN A 44 -0.427 -3.798 31.739 1.00 59.90 C ATOM 232 O GLN A 44 0.255 -4.011 32.749 1.00 60.39 O ATOM 233 CB GLN A 44 1.251 -4.183 29.934 1.00 62.20 C ATOM 234 CG GLN A 44 2.005 -5.321 29.288 1.00 84.76 C ATOM 235 CD GLN A 44 3.473 -5.213 29.616 1.00110.42 C ATOM 236 OE1 GLN A 44 4.237 -4.506 28.947 1.00108.44 O ATOM 237 NE2 GLN A 44 3.905 -5.926 30.647 1.00102.49 N ATOM 238 HE22 GLN A 44 3.239 -6.511 31.190 1.00 0.00 H ATOM 239 HE21 GLN A 44 4.910 -5.900 30.912 1.00 0.00 H ATOM 240 H GLN A 44 -1.013 -3.475 28.802 1.00 0.00 H ATOM 241 N LYS A 45 -1.419 -2.903 31.705 1.00 53.61 N ATOM 242 CA LYS A 45 -1.767 -2.020 32.819 1.00 51.73 C ATOM 243 C LYS A 45 -2.836 -2.587 33.753 1.00 51.94 C ATOM 244 O LYS A 45 -3.533 -3.545 33.419 1.00 51.39 O ATOM 245 CB LYS A 45 -2.281 -0.667 32.276 1.00 53.04 C ATOM 246 CG LYS A 45 -1.502 -0.057 31.112 1.00 65.10 C ATOM 247 CD LYS A 45 -2.259 1.126 30.507 1.00 68.82 C ATOM 248 CE LYS A 45 -1.691 2.451 30.956 1.00 74.18 C ATOM 249 NZ LYS A 45 -2.746 3.378 31.445 1.00 72.33 N ATOM 250 HZ1 LYS A 45 -3.427 3.560 30.680 1.00 0.00 H ATOM 251 HZ2 LYS A 45 -3.238 2.946 32.253 1.00 0.00 H ATOM 252 HZ3 LYS A 45 -2.308 4.274 31.742 1.00 0.00 H ATOM 253 H LYS A 45 -1.979 -2.829 30.832 1.00 0.00 H ATOM 254 N ASP A 46 -3.006 -1.923 34.896 1.00 46.92 N ATOM 255 CA ASP A 46 -4.064 -2.200 35.859 1.00 45.27 C ATOM 256 C ASP A 46 -4.977 -0.967 35.923 1.00 45.61 C ATOM 257 O ASP A 46 -6.157 -1.092 36.231 1.00 44.64 O ATOM 258 CB ASP A 46 -3.481 -2.569 37.229 1.00 48.90 C ATOM 259 CG ASP A 46 -2.679 -3.864 37.206 1.00 63.07 C ATOM 260 OD1 ASP A 46 -3.272 -4.926 36.911 1.00 63.54 O ATOM 261 OD2 ASP A 46 -1.451 -3.807 37.446 1.00 71.66 O ATOM 262 H ASP A 46 -2.339 -1.156 35.115 1.00 0.00 H ATOM 263 N THR A 47 -4.431 0.214 35.574 1.00 40.73 N ATOM 264 CA THR A 47 -5.155 1.494 35.523 1.00 38.66 C ATOM 265 C THR A 47 -5.089 1.975 34.087 1.00 38.72 C ATOM 266 O THR A 47 -4.023 1.957 33.480 1.00 38.34 O ATOM 267 CB THR A 47 -4.579 2.521 36.516 1.00 47.11 C ATOM 268 OG1 THR A 47 -4.664 1.983 37.827 1.00 51.17 O ATOM 269 CG2 THR A 47 -5.311 3.870 36.469 1.00 43.79 C ATOM 270 HG1 THR A 47 -4.296 2.635 38.475 1.00 0.00 H ATOM 271 H THR A 47 -3.422 0.222 35.322 1.00 0.00 H ATOM 272 N TYR A 48 -6.244 2.386 33.546 1.00 33.76 N ATOM 273 CA TYR A 48 -6.402 2.816 32.153 1.00 33.74 C ATOM 274 C TYR A 48 -7.172 4.095 32.055 1.00 34.97 C ATOM 275 O TYR A 48 -7.987 4.400 32.926 1.00 32.44 O ATOM 276 CB TYR A 48 -7.274 1.785 31.403 1.00 34.62 C ATOM 277 CG TYR A 48 -6.709 0.388 31.355 1.00 37.11 C ATOM 278 CD1 TYR A 48 -6.729 -0.434 32.480 1.00 38.02 C ATOM 279 CD2 TYR A 48 -6.225 -0.146 30.167 1.00 40.30 C ATOM 280 CE1 TYR A 48 -6.156 -1.702 32.457 1.00 39.31 C ATOM 281 CE2 TYR A 48 -5.670 -1.423 30.123 1.00 42.62 C ATOM 282 CZ TYR A 48 -5.646 -2.202 31.270 1.00 47.89 C ATOM 283 OH TYR A 48 -5.134 -3.472 31.224 1.00 50.97 O ATOM 284 HH TYR A 48 -5.194 -3.883 32.123 1.00 0.00 H ATOM 285 H TYR A 48 -7.086 2.401 34.156 1.00 0.00 H ATOM 286 N THR A 49 -7.044 4.768 30.910 1.00 32.08 N ATOM 287 CA THR A 49 -7.933 5.881 30.613 1.00 32.47 C ATOM 288 C THR A 49 -9.149 5.217 29.947 1.00 34.41 C ATOM 289 O THR A 49 -9.046 4.078 29.474 1.00 31.95 O ATOM 290 CB THR A 49 -7.285 6.917 29.682 1.00 41.76 C ATOM 291 OG1 THR A 49 -6.965 6.316 28.427 1.00 37.38 O ATOM 292 CG2 THR A 49 -6.073 7.590 30.292 1.00 45.07 C ATOM 293 HG1 THR A 49 -6.548 6.992 27.835 1.00 0.00 H ATOM 294 H THR A 49 -6.307 4.496 30.228 1.00 0.00 H ATOM 295 N MET A 50 -10.294 5.915 29.900 1.00 31.04 N ATOM 296 CA MET A 50 -11.484 5.410 29.213 1.00 31.41 C ATOM 297 C MET A 50 -11.172 5.158 27.712 1.00 34.70 C ATOM 298 O MET A 50 -11.679 4.197 27.126 1.00 33.07 O ATOM 299 CB MET A 50 -12.649 6.401 29.367 1.00 34.37 C ATOM 300 CG MET A 50 -13.422 6.247 30.670 1.00 37.77 C ATOM 301 SD MET A 50 -14.135 4.602 30.918 1.00 40.15 S ATOM 302 CE MET A 50 -15.329 4.571 29.603 1.00 36.60 C ATOM 303 H MET A 50 -10.337 6.844 30.366 1.00 0.00 H ATOM 304 N LYS A 51 -10.298 5.998 27.118 1.00 33.92 N ATOM 305 CA LYS A 51 -9.865 5.865 25.717 1.00 33.69 C ATOM 306 C LYS A 51 -9.163 4.513 25.529 1.00 36.31 C ATOM 307 O LYS A 51 -9.456 3.784 24.578 1.00 36.18 O ATOM 308 CB LYS A 51 -8.899 7.002 25.360 1.00 37.42 C ATOM 309 CG LYS A 51 -8.805 7.211 23.846 1.00 46.82 C ATOM 310 CD LYS A 51 -7.725 8.195 23.472 1.00 51.40 C ATOM 311 CE LYS A 51 -8.213 9.619 23.401 1.00 59.96 C ATOM 312 NZ LYS A 51 -7.068 10.563 23.237 1.00 55.97 N ATOM 313 HZ1 LYS A 51 -6.423 10.468 24.048 1.00 0.00 H ATOM 314 HZ2 LYS A 51 -6.558 10.338 22.359 1.00 0.00 H ATOM 315 HZ3 LYS A 51 -7.428 11.538 23.190 1.00 0.00 H ATOM 316 H LYS A 51 -9.909 6.782 27.681 1.00 0.00 H ATOM 317 N GLU A 52 -8.299 4.156 26.489 1.00 33.67 N ATOM 318 CA GLU A 52 -7.561 2.892 26.486 1.00 32.65 C ATOM 319 C GLU A 52 -8.482 1.700 26.634 1.00 34.33 C ATOM 320 O GLU A 52 -8.277 0.712 25.947 1.00 33.87 O ATOM 321 CB GLU A 52 -6.467 2.883 27.551 1.00 34.17 C ATOM 322 CG GLU A 52 -5.245 3.700 27.149 1.00 36.48 C ATOM 323 CD GLU A 52 -4.239 3.943 28.256 1.00 50.27 C ATOM 324 OE1 GLU A 52 -4.628 3.886 29.443 1.00 37.96 O ATOM 325 OE2 GLU A 52 -3.065 4.225 27.936 1.00 46.83 O ATOM 326 H GLU A 52 -8.144 4.813 27.280 1.00 0.00 H ATOM 327 N VAL A 53 -9.511 1.780 27.505 1.00 30.25 N ATOM 328 CA VAL A 53 -10.470 0.678 27.667 1.00 28.46 C ATOM 329 C VAL A 53 -11.172 0.421 26.288 1.00 32.21 C ATOM 330 O VAL A 53 -11.273 -0.733 25.856 1.00 31.04 O ATOM 331 CB VAL A 53 -11.481 0.955 28.815 1.00 30.31 C ATOM 332 CG1 VAL A 53 -12.579 -0.111 28.865 1.00 30.45 C ATOM 333 CG2 VAL A 53 -10.760 1.048 30.149 1.00 29.62 C ATOM 334 H VAL A 53 -9.628 2.642 28.075 1.00 0.00 H ATOM 335 N LEU A 54 -11.631 1.493 25.614 1.00 29.37 N ATOM 336 CA LEU A 54 -12.280 1.371 24.300 1.00 29.81 C ATOM 337 C LEU A 54 -11.325 0.742 23.285 1.00 35.03 C ATOM 338 O LEU A 54 -11.720 -0.153 22.525 1.00 34.86 O ATOM 339 CB LEU A 54 -12.792 2.725 23.796 1.00 30.31 C ATOM 340 CG LEU A 54 -13.964 3.354 24.585 1.00 34.47 C ATOM 341 CD1 LEU A 54 -14.228 4.781 24.118 1.00 35.92 C ATOM 342 CD2 LEU A 54 -15.250 2.505 24.470 1.00 37.79 C ATOM 343 H LEU A 54 -11.523 2.437 26.036 1.00 0.00 H ATOM 344 N TYR A 55 -10.052 1.153 23.332 1.00 31.36 N ATOM 345 CA TYR A 55 -9.039 0.637 22.418 1.00 33.18 C ATOM 346 C TYR A 55 -8.846 -0.875 22.593 1.00 36.64 C ATOM 347 O TYR A 55 -8.842 -1.598 21.601 1.00 36.76 O ATOM 348 CB TYR A 55 -7.713 1.403 22.605 1.00 34.95 C ATOM 349 CG TYR A 55 -6.625 0.908 21.681 1.00 37.39 C ATOM 350 CD1 TYR A 55 -6.621 1.250 20.331 1.00 40.85 C ATOM 351 CD2 TYR A 55 -5.635 0.040 22.139 1.00 38.18 C ATOM 352 CE1 TYR A 55 -5.649 0.755 19.465 1.00 43.81 C ATOM 353 CE2 TYR A 55 -4.660 -0.463 21.279 1.00 40.52 C ATOM 354 CZ TYR A 55 -4.673 -0.102 19.942 1.00 46.45 C ATOM 355 OH TYR A 55 -3.710 -0.588 19.087 1.00 47.43 O ATOM 356 HH TYR A 55 -2.816 -0.304 19.403 1.00 0.00 H ATOM 357 H TYR A 55 -9.777 1.862 24.042 1.00 0.00 H ATOM 358 N TYR A 56 -8.658 -1.344 23.843 1.00 34.94 N ATOM 359 CA TYR A 56 -8.428 -2.764 24.112 1.00 33.70 C ATOM 360 C TYR A 56 -9.679 -3.595 23.902 1.00 34.09 C ATOM 361 O TYR A 56 -9.568 -4.732 23.451 1.00 34.95 O ATOM 362 CB TYR A 56 -7.773 -2.988 25.481 1.00 33.38 C ATOM 363 CG TYR A 56 -6.334 -2.538 25.443 1.00 37.56 C ATOM 364 CD1 TYR A 56 -5.399 -3.195 24.645 1.00 41.19 C ATOM 365 CD2 TYR A 56 -5.920 -1.404 26.134 1.00 38.96 C ATOM 366 CE1 TYR A 56 -4.086 -2.740 24.542 1.00 44.29 C ATOM 367 CE2 TYR A 56 -4.601 -0.954 26.061 1.00 41.63 C ATOM 368 CZ TYR A 56 -3.691 -1.618 25.252 1.00 52.67 C ATOM 369 OH TYR A 56 -2.392 -1.187 25.164 1.00 53.07 O ATOM 370 HH TYR A 56 -1.891 -1.776 24.546 1.00 0.00 H ATOM 371 H TYR A 56 -8.677 -0.676 24.640 1.00 0.00 H ATOM 372 N LEU A 57 -10.865 -3.027 24.142 1.00 30.02 N ATOM 373 CA LEU A 57 -12.095 -3.749 23.814 1.00 28.85 C ATOM 374 C LEU A 57 -12.153 -3.982 22.317 1.00 34.68 C ATOM 375 O LEU A 57 -12.573 -5.059 21.874 1.00 34.82 O ATOM 376 CB LEU A 57 -13.346 -2.988 24.265 1.00 27.83 C ATOM 377 CG LEU A 57 -13.634 -3.034 25.770 1.00 32.20 C ATOM 378 CD1 LEU A 57 -14.679 -2.025 26.136 1.00 32.50 C ATOM 379 CD2 LEU A 57 -14.061 -4.432 26.218 1.00 34.88 C ATOM 380 H LEU A 57 -10.913 -2.076 24.560 1.00 0.00 H ATOM 381 N GLY A 58 -11.689 -2.988 21.559 1.00 32.43 N ATOM 382 CA GLY A 58 -11.622 -3.057 20.103 1.00 34.10 C ATOM 383 C GLY A 58 -10.686 -4.157 19.645 1.00 37.61 C ATOM 384 O GLY A 58 -11.036 -4.931 18.749 1.00 38.24 O ATOM 385 H GLY A 58 -11.359 -2.121 22.029 1.00 0.00 H ATOM 386 N GLN A 59 -9.519 -4.297 20.328 1.00 35.69 N ATOM 387 CA GLN A 59 -8.535 -5.345 20.015 1.00 37.03 C ATOM 388 C GLN A 59 -9.137 -6.719 20.234 1.00 40.33 C ATOM 389 O GLN A 59 -8.881 -7.635 19.456 1.00 40.95 O ATOM 390 CB GLN A 59 -7.235 -5.193 20.844 1.00 38.41 C ATOM 391 CG GLN A 59 -6.461 -3.894 20.630 1.00 47.20 C ATOM 392 CD GLN A 59 -5.954 -3.739 19.214 1.00 51.76 C ATOM 393 OE1 GLN A 59 -4.782 -3.984 18.907 1.00 53.43 O ATOM 394 NE2 GLN A 59 -6.825 -3.328 18.318 1.00 38.63 N ATOM 395 HE22 GLN A 59 -7.806 -3.128 18.600 1.00 0.00 H ATOM 396 HE21 GLN A 59 -6.533 -3.203 17.328 1.00 0.00 H ATOM 397 H GLN A 59 -9.313 -3.636 21.104 1.00 0.00 H ATOM 398 N TYR A 60 -9.956 -6.842 21.293 1.00 37.17 N ATOM 399 CA TYR A 60 -10.635 -8.076 21.673 1.00 36.96 C ATOM 400 C TYR A 60 -11.681 -8.500 20.636 1.00 40.18 C ATOM 401 O TYR A 60 -11.708 -9.662 20.219 1.00 41.03 O ATOM 402 CB TYR A 60 -11.256 -7.890 23.059 1.00 36.48 C ATOM 403 CG TYR A 60 -11.880 -9.139 23.623 1.00 36.79 C ATOM 404 CD1 TYR A 60 -11.110 -10.086 24.287 1.00 39.17 C ATOM 405 CD2 TYR A 60 -13.249 -9.359 23.530 1.00 36.47 C ATOM 406 CE1 TYR A 60 -11.685 -11.229 24.834 1.00 40.07 C ATOM 407 CE2 TYR A 60 -13.833 -10.508 24.055 1.00 37.39 C ATOM 408 CZ TYR A 60 -13.053 -11.421 24.742 1.00 44.08 C ATOM 409 OH TYR A 60 -13.621 -12.537 25.313 1.00 41.44 O ATOM 410 HH TYR A 60 -12.918 -13.072 25.759 1.00 0.00 H ATOM 411 H TYR A 60 -10.117 -6.000 21.882 1.00 0.00 H ATOM 412 N ILE A 61 -12.548 -7.561 20.241 1.00 35.19 N ATOM 413 CA ILE A 61 -13.593 -7.780 19.242 1.00 36.12 C ATOM 414 C ILE A 61 -12.978 -8.203 17.904 1.00 42.07 C ATOM 415 O ILE A 61 -13.489 -9.122 17.257 1.00 41.96 O ATOM 416 CB ILE A 61 -14.452 -6.491 19.100 1.00 38.17 C ATOM 417 CG1 ILE A 61 -15.294 -6.260 20.367 1.00 36.34 C ATOM 418 CG2 ILE A 61 -15.345 -6.536 17.863 1.00 39.21 C ATOM 419 CD1 ILE A 61 -15.774 -4.830 20.506 1.00 37.67 C ATOM 420 H ILE A 61 -12.474 -6.617 20.671 1.00 0.00 H ATOM 421 N MET A 62 -11.894 -7.517 17.487 1.00 40.45 N ATOM 422 CA MET A 62 -11.205 -7.817 16.224 1.00 42.21 C ATOM 423 C MET A 62 -10.522 -9.192 16.216 1.00 48.34 C ATOM 424 O MET A 62 -10.753 -9.958 15.281 1.00 48.94 O ATOM 425 CB MET A 62 -10.227 -6.695 15.828 1.00 44.64 C ATOM 426 CG MET A 62 -10.927 -5.395 15.446 1.00 45.96 C ATOM 427 SD MET A 62 -12.276 -5.528 14.221 1.00 49.03 S ATOM 428 CE MET A 62 -11.319 -5.433 12.741 1.00 48.51 C ATOM 429 H MET A 62 -11.532 -6.745 18.083 1.00 0.00 H ATOM 430 N THR A 63 -9.746 -9.526 17.265 1.00 45.84 N ATOM 431 CA THR A 63 -9.026 -10.810 17.381 1.00 48.33 C ATOM 432 C THR A 63 -9.988 -12.001 17.457 1.00 51.32 C ATOM 433 O THR A 63 -9.751 -13.018 16.805 1.00 52.51 O ATOM 434 CB THR A 63 -8.027 -10.789 18.571 1.00 62.83 C ATOM 435 OG1 THR A 63 -7.252 -9.588 18.531 1.00 65.50 O ATOM 436 CG2 THR A 63 -7.076 -11.993 18.567 1.00 66.61 C ATOM 437 HG1 THR A 63 -7.855 -8.805 18.595 1.00 0.00 H ATOM 438 H THR A 63 -9.648 -8.839 18.039 1.00 0.00 H ATOM 439 N LYS A 64 -11.064 -11.869 18.250 1.00 46.23 N ATOM 440 CA LYS A 64 -12.059 -12.922 18.433 1.00 45.95 C ATOM 441 C LYS A 64 -13.155 -12.937 17.363 1.00 50.53 C ATOM 442 O LYS A 64 -14.012 -13.828 17.396 1.00 51.14 O ATOM 443 CB LYS A 64 -12.654 -12.859 19.840 1.00 46.25 C ATOM 444 CG LYS A 64 -11.689 -13.374 20.889 1.00 55.78 C ATOM 445 CD LYS A 64 -12.376 -13.686 22.196 1.00 59.64 C ATOM 446 CE LYS A 64 -12.656 -15.151 22.391 1.00 62.63 C ATOM 447 NZ LYS A 64 -13.174 -15.415 23.761 1.00 72.29 N ATOM 448 HZ1 LYS A 64 -12.467 -15.113 24.462 1.00 0.00 H ATOM 449 HZ2 LYS A 64 -14.056 -14.883 23.905 1.00 0.00 H ATOM 450 HZ3 LYS A 64 -13.359 -16.433 23.870 1.00 0.00 H ATOM 451 H LYS A 64 -11.195 -10.972 18.759 1.00 0.00 H ATOM 452 N ARG A 65 -13.105 -11.979 16.398 1.00 46.99 N ATOM 453 CA ARG A 65 -14.052 -11.822 15.284 1.00 46.78 C ATOM 454 C ARG A 65 -15.515 -11.803 15.773 1.00 48.96 C ATOM 455 O ARG A 65 -16.357 -12.565 15.292 1.00 49.57 O ATOM 456 CB ARG A 65 -13.805 -12.890 14.191 1.00 51.55 C ATOM 457 CG ARG A 65 -12.522 -12.671 13.399 1.00 69.45 C ATOM 458 CD ARG A 65 -11.614 -13.894 13.408 1.00 89.33 C ATOM 459 NE ARG A 65 -12.130 -14.983 12.575 1.00104.91 N ATOM 460 CZ ARG A 65 -11.442 -16.072 12.243 1.00125.36 C ATOM 461 NH1 ARG A 65 -10.190 -16.228 12.661 1.00115.05 N ATOM 462 NH2 ARG A 65 -11.994 -17.007 11.484 1.00115.49 N ATOM 463 HE ARG A 65 -13.103 -14.899 12.218 1.00 0.00 H ATOM 464 HH12 ARG A 65 -9.657 -17.081 12.399 1.00 0.00 H ATOM 465 HH11 ARG A 65 -9.744 -15.497 13.251 1.00 0.00 H ATOM 466 HH22 ARG A 65 -11.451 -17.856 11.228 1.00 0.00 H ATOM 467 HH21 ARG A 65 -12.970 -16.892 11.144 1.00 0.00 H ATOM 468 H ARG A 65 -12.324 -11.294 16.453 1.00 0.00 H ATOM 469 N LEU A 66 -15.805 -10.935 16.754 1.00 43.85 N ATOM 470 CA LEU A 66 -17.130 -10.853 17.369 1.00 42.80 C ATOM 471 C LEU A 66 -18.116 -9.972 16.616 1.00 49.81 C ATOM 472 O LEU A 66 -18.975 -9.349 17.219 1.00 49.22 O ATOM 473 CB LEU A 66 -17.031 -10.429 18.838 1.00 40.16 C ATOM 474 CG LEU A 66 -16.195 -11.330 19.748 1.00 44.11 C ATOM 475 CD1 LEU A 66 -16.148 -10.759 21.158 1.00 42.39 C ATOM 476 CD2 LEU A 66 -16.738 -12.765 19.767 1.00 45.92 C ATOM 477 H LEU A 66 -15.058 -10.295 17.091 1.00 0.00 H ATOM 478 N TYR A 67 -17.986 -9.928 15.310 1.00 50.65 N ATOM 479 CA TYR A 67 -18.867 -9.190 14.417 1.00 50.65 C ATOM 480 C TYR A 67 -19.141 -10.069 13.218 1.00 57.55 C ATOM 481 O TYR A 67 -18.371 -10.986 12.926 1.00 59.12 O ATOM 482 CB TYR A 67 -18.237 -7.843 13.994 1.00 51.25 C ATOM 483 CG TYR A 67 -16.874 -7.969 13.345 1.00 54.23 C ATOM 484 CD1 TYR A 67 -15.714 -7.982 14.113 1.00 55.93 C ATOM 485 CD2 TYR A 67 -16.744 -8.080 11.962 1.00 56.43 C ATOM 486 CE1 TYR A 67 -14.461 -8.124 13.526 1.00 57.43 C ATOM 487 CE2 TYR A 67 -15.493 -8.218 11.363 1.00 59.19 C ATOM 488 CZ TYR A 67 -14.353 -8.230 12.151 1.00 65.77 C ATOM 489 OH TYR A 67 -13.113 -8.346 11.585 1.00 70.02 O ATOM 490 HH TYR A 67 -12.425 -8.336 12.296 1.00 0.00 H ATOM 491 H TYR A 67 -17.199 -10.457 14.884 1.00 0.00 H ATOM 492 N ASP A 68 -20.251 -9.810 12.544 1.00 56.00 N ATOM 493 CA ASP A 68 -20.624 -10.487 11.311 1.00 58.09 C ATOM 494 C ASP A 68 -20.100 -9.563 10.221 1.00 58.52 C ATOM 495 O ASP A 68 -20.342 -8.353 10.288 1.00 53.99 O ATOM 496 CB ASP A 68 -22.154 -10.673 11.221 1.00 60.41 C ATOM 497 CG ASP A 68 -22.974 -9.408 11.443 1.00 73.50 C ATOM 498 OD1 ASP A 68 -22.765 -8.731 12.490 1.00 71.46 O ATOM 499 OD2 ASP A 68 -23.831 -9.102 10.584 1.00 81.22 O ATOM 500 H ASP A 68 -20.893 -9.081 12.917 1.00 0.00 H ATOM 501 N GLU A 69 -19.292 -10.103 9.287 1.00 58.61 N ATOM 502 CA GLU A 69 -18.684 -9.336 8.192 1.00 60.44 C ATOM 503 C GLU A 69 -19.729 -8.520 7.401 1.00 64.22 C ATOM 504 O GLU A 69 -19.407 -7.447 6.887 1.00 65.32 O ATOM 505 CB GLU A 69 -17.854 -10.259 7.276 1.00 64.67 C ATOM 506 CG GLU A 69 -16.927 -9.546 6.299 1.00 77.70 C ATOM 507 CD GLU A 69 -15.706 -8.821 6.841 1.00 95.93 C ATOM 508 OE1 GLU A 69 -15.347 -9.014 8.026 1.00 75.21 O ATOM 509 OE2 GLU A 69 -15.079 -8.081 6.049 1.00 93.20 O ATOM 510 H GLU A 69 -19.087 -11.121 9.345 1.00 0.00 H ATOM 511 N LYS A 70 -20.985 -9.002 7.374 1.00 59.38 N ATOM 512 CA LYS A 70 -22.116 -8.350 6.722 1.00 59.23 C ATOM 513 C LYS A 70 -22.444 -6.993 7.373 1.00 59.52 C ATOM 514 O LYS A 70 -22.443 -5.979 6.672 1.00 60.25 O ATOM 515 CB LYS A 70 -23.339 -9.294 6.733 1.00 62.11 C ATOM 516 CG LYS A 70 -24.607 -8.751 6.062 1.00 78.88 C ATOM 517 CD LYS A 70 -25.645 -9.848 5.747 1.00 94.38 C ATOM 518 CE LYS A 70 -26.168 -10.641 6.934 1.00112.98 C ATOM 519 NZ LYS A 70 -26.952 -9.806 7.886 1.00122.98 N ATOM 520 HZ1 LYS A 70 -26.349 -9.043 8.254 1.00 0.00 H ATOM 521 HZ2 LYS A 70 -27.770 -9.395 7.392 1.00 0.00 H ATOM 522 HZ3 LYS A 70 -27.283 -10.399 8.674 1.00 0.00 H ATOM 523 H LYS A 70 -21.163 -9.907 7.854 1.00 0.00 H ATOM 524 N GLN A 71 -22.735 -6.978 8.695 1.00 51.30 N ATOM 525 CA GLN A 71 -23.097 -5.762 9.432 1.00 48.45 C ATOM 526 C GLN A 71 -22.044 -5.516 10.498 1.00 48.46 C ATOM 527 O GLN A 71 -22.229 -5.888 11.654 1.00 44.75 O ATOM 528 CB GLN A 71 -24.497 -5.893 10.066 1.00 48.68 C ATOM 529 CG GLN A 71 -25.533 -4.911 9.528 1.00 74.41 C ATOM 530 CD GLN A 71 -26.886 -5.034 10.213 1.00100.24 C ATOM 531 OE1 GLN A 71 -27.262 -6.081 10.762 1.00 94.60 O ATOM 532 NE2 GLN A 71 -27.668 -3.966 10.171 1.00 96.47 N ATOM 533 HE22 GLN A 71 -27.336 -3.097 9.706 1.00 0.00 H ATOM 534 HE21 GLN A 71 -28.614 -3.997 10.603 1.00 0.00 H ATOM 535 H GLN A 71 -22.700 -7.877 9.217 1.00 0.00 H ATOM 536 N GLN A 72 -20.933 -4.890 10.096 1.00 46.14 N ATOM 537 CA GLN A 72 -19.772 -4.639 10.959 1.00 45.27 C ATOM 538 C GLN A 72 -20.038 -3.737 12.174 1.00 46.85 C ATOM 539 O GLN A 72 -19.266 -3.801 13.135 1.00 45.96 O ATOM 540 CB GLN A 72 -18.603 -4.110 10.125 1.00 48.29 C ATOM 541 CG GLN A 72 -18.002 -5.203 9.247 1.00 55.22 C ATOM 542 CD GLN A 72 -16.844 -4.731 8.415 1.00 59.50 C ATOM 543 OE1 GLN A 72 -16.510 -3.548 8.377 1.00 45.74 O ATOM 544 NE2 GLN A 72 -16.207 -5.657 7.725 1.00 60.52 N ATOM 545 HE22 GLN A 72 -16.514 -6.649 7.779 1.00 0.00 H ATOM 546 HE21 GLN A 72 -15.397 -5.395 7.127 1.00 0.00 H ATOM 547 H GLN A 72 -20.888 -4.560 9.111 1.00 0.00 H ATOM 548 N HIS A 73 -21.149 -2.976 12.189 1.00 43.52 N ATOM 549 CA HIS A 73 -21.476 -2.151 13.358 1.00 42.50 C ATOM 550 C HIS A 73 -22.127 -2.959 14.515 1.00 42.46 C ATOM 551 O HIS A 73 -22.264 -2.415 15.605 1.00 40.49 O ATOM 552 CB HIS A 73 -22.309 -0.914 12.982 1.00 44.47 C ATOM 553 CG HIS A 73 -23.759 -1.185 12.719 1.00 48.13 C ATOM 554 ND1 HIS A 73 -24.206 -1.597 11.470 1.00 51.14 N ATOM 555 CD2 HIS A 73 -24.828 -1.015 13.533 1.00 49.25 C ATOM 556 CE1 HIS A 73 -25.518 -1.721 11.583 1.00 50.59 C ATOM 557 NE2 HIS A 73 -25.939 -1.379 12.806 1.00 49.75 N ATOM 558 H HIS A 73 -21.782 -2.973 11.364 1.00 0.00 H ATOM 559 N ILE A 74 -22.511 -4.239 14.285 1.00 38.00 N ATOM 560 CA ILE A 74 -23.120 -5.093 15.313 1.00 36.20 C ATOM 561 C ILE A 74 -22.102 -6.090 15.878 1.00 39.19 C ATOM 562 O ILE A 74 -21.505 -6.880 15.128 1.00 40.11 O ATOM 563 CB ILE A 74 -24.407 -5.818 14.799 1.00 39.31 C ATOM 564 CG1 ILE A 74 -25.491 -4.816 14.270 1.00 39.84 C ATOM 565 CG2 ILE A 74 -24.970 -6.785 15.848 1.00 38.20 C ATOM 566 CD1 ILE A 74 -26.169 -3.806 15.330 1.00 49.74 C ATOM 567 H ILE A 74 -22.367 -4.635 13.334 1.00 0.00 H ATOM 568 N VAL A 75 -21.917 -6.053 17.203 1.00 33.45 N ATOM 569 CA VAL A 75 -21.046 -6.998 17.889 1.00 32.66 C ATOM 570 C VAL A 75 -21.929 -8.135 18.398 1.00 34.73 C ATOM 571 O VAL A 75 -22.930 -7.841 19.036 1.00 33.80 O ATOM 572 CB VAL A 75 -20.246 -6.328 19.048 1.00 35.79 C ATOM 573 CG1 VAL A 75 -19.574 -7.372 19.950 1.00 34.89 C ATOM 574 CG2 VAL A 75 -19.203 -5.357 18.504 1.00 36.21 C ATOM 575 H VAL A 75 -22.411 -5.327 17.760 1.00 0.00 H ATOM 576 N HIS A 76 -21.578 -9.411 18.104 1.00 32.56 N ATOM 577 CA HIS A 76 -22.294 -10.597 18.598 1.00 33.01 C ATOM 578 C HIS A 76 -21.415 -11.250 19.670 1.00 36.31 C ATOM 579 O HIS A 76 -20.295 -11.708 19.377 1.00 35.77 O ATOM 580 CB HIS A 76 -22.642 -11.573 17.455 1.00 35.36 C ATOM 581 CG HIS A 76 -23.657 -11.021 16.506 1.00 38.87 C ATOM 582 ND1 HIS A 76 -24.995 -10.916 16.858 1.00 40.61 N ATOM 583 CD2 HIS A 76 -23.500 -10.567 15.240 1.00 42.08 C ATOM 584 CE1 HIS A 76 -25.602 -10.384 15.809 1.00 40.45 C ATOM 585 NE2 HIS A 76 -24.743 -10.157 14.812 1.00 41.89 N ATOM 586 H HIS A 76 -20.751 -9.561 17.491 1.00 0.00 H ATOM 587 N CYS A 77 -21.910 -11.269 20.919 1.00 32.82 N ATOM 588 CA CYS A 77 -21.104 -11.711 22.073 1.00 33.24 C ATOM 589 C CYS A 77 -21.866 -12.597 23.087 1.00 35.59 C ATOM 590 O CYS A 77 -21.469 -12.615 24.252 1.00 31.58 O ATOM 591 CB CYS A 77 -20.541 -10.463 22.765 1.00 32.31 C ATOM 592 SG CYS A 77 -21.788 -9.184 23.133 1.00 35.11 S ATOM 593 H CYS A 77 -22.891 -10.963 21.077 1.00 0.00 H ATOM 594 N SER A 78 -22.947 -13.291 22.663 1.00 32.86 N ATOM 595 CA SER A 78 -23.818 -14.061 23.575 1.00 32.73 C ATOM 596 C SER A 78 -23.143 -15.233 24.283 1.00 35.55 C ATOM 597 O SER A 78 -23.533 -15.568 25.405 1.00 34.78 O ATOM 598 CB SER A 78 -25.075 -14.536 22.848 1.00 34.88 C ATOM 599 OG SER A 78 -24.765 -15.558 21.921 1.00 41.54 O ATOM 600 HG SER A 78 -25.593 -15.849 21.463 1.00 0.00 H ATOM 601 H SER A 78 -23.176 -13.282 21.648 1.00 0.00 H ATOM 602 N ASN A 79 -22.114 -15.822 23.649 1.00 33.36 N ATOM 603 CA ASN A 79 -21.379 -16.969 24.179 1.00 35.60 C ATOM 604 C ASN A 79 -19.922 -16.589 24.471 1.00 40.20 C ATOM 605 O ASN A 79 -19.029 -17.426 24.397 1.00 43.67 O ATOM 606 CB ASN A 79 -21.488 -18.164 23.209 1.00 36.10 C ATOM 607 CG ASN A 79 -21.112 -19.492 23.828 1.00 50.37 C ATOM 608 OD1 ASN A 79 -21.193 -19.698 25.045 1.00 38.57 O ATOM 609 ND2 ASN A 79 -20.660 -20.427 23.010 1.00 51.44 N ATOM 610 HD22 ASN A 79 -20.598 -20.239 21.989 1.00 0.00 H ATOM 611 HD21 ASN A 79 -20.367 -21.351 23.387 1.00 0.00 H ATOM 612 H ASN A 79 -21.824 -15.439 22.727 1.00 0.00 H ATOM 613 N ASP A 80 -19.700 -15.320 24.804 1.00 35.50 N ATOM 614 CA ASP A 80 -18.388 -14.773 25.101 1.00 35.58 C ATOM 615 C ASP A 80 -18.399 -13.988 26.406 1.00 36.63 C ATOM 616 O ASP A 80 -19.406 -13.370 26.744 1.00 32.76 O ATOM 617 CB ASP A 80 -17.973 -13.832 23.955 1.00 37.52 C ATOM 618 CG ASP A 80 -16.503 -13.503 24.002 1.00 43.01 C ATOM 619 OD1 ASP A 80 -15.714 -14.265 23.425 1.00 45.14 O ATOM 620 OD2 ASP A 80 -16.137 -12.545 24.713 1.00 41.38 O ATOM 621 H ASP A 80 -20.518 -14.679 24.855 1.00 0.00 H ATOM 622 N LEU A 81 -17.249 -13.934 27.097 1.00 35.00 N ATOM 623 CA LEU A 81 -17.103 -13.135 28.316 1.00 34.27 C ATOM 624 C LEU A 81 -17.571 -11.680 28.103 1.00 35.37 C ATOM 625 O LEU A 81 -18.206 -11.095 28.992 1.00 33.62 O ATOM 626 CB LEU A 81 -15.648 -13.179 28.797 1.00 35.45 C ATOM 627 CG LEU A 81 -15.298 -12.423 30.072 1.00 39.06 C ATOM 628 CD1 LEU A 81 -16.090 -12.942 31.270 1.00 39.96 C ATOM 629 CD2 LEU A 81 -13.800 -12.492 30.338 1.00 41.47 C ATOM 630 H LEU A 81 -16.432 -14.479 26.754 1.00 0.00 H ATOM 631 N LEU A 82 -17.321 -11.117 26.899 1.00 31.58 N ATOM 632 CA LEU A 82 -17.770 -9.758 26.616 1.00 30.07 C ATOM 633 C LEU A 82 -19.288 -9.614 26.818 1.00 31.39 C ATOM 634 O LEU A 82 -19.711 -8.653 27.443 1.00 28.33 O ATOM 635 CB LEU A 82 -17.344 -9.293 25.216 1.00 31.26 C ATOM 636 CG LEU A 82 -17.762 -7.852 24.817 1.00 34.79 C ATOM 637 CD1 LEU A 82 -17.142 -6.796 25.755 1.00 34.63 C ATOM 638 CD2 LEU A 82 -17.399 -7.559 23.367 1.00 36.95 C ATOM 639 H LEU A 82 -16.807 -11.655 26.172 1.00 0.00 H ATOM 640 N GLY A 83 -20.063 -10.589 26.343 1.00 29.74 N ATOM 641 CA GLY A 83 -21.516 -10.606 26.499 1.00 29.52 C ATOM 642 C GLY A 83 -21.917 -10.780 27.948 1.00 32.19 C ATOM 643 O GLY A 83 -22.836 -10.117 28.414 1.00 30.99 O ATOM 644 H GLY A 83 -19.611 -11.377 25.836 1.00 0.00 H ATOM 645 N ASP A 84 -21.201 -11.639 28.688 1.00 30.34 N ATOM 646 CA ASP A 84 -21.473 -11.851 30.116 1.00 30.55 C ATOM 647 C ASP A 84 -21.281 -10.563 30.908 1.00 32.85 C ATOM 648 O ASP A 84 -22.138 -10.209 31.711 1.00 32.48 O ATOM 649 CB ASP A 84 -20.562 -12.936 30.666 1.00 33.67 C ATOM 650 CG ASP A 84 -20.681 -14.219 29.887 1.00 36.91 C ATOM 651 OD1 ASP A 84 -21.816 -14.587 29.520 1.00 39.35 O ATOM 652 OD2 ASP A 84 -19.654 -14.806 29.578 1.00 39.26 O ATOM 653 H ASP A 84 -20.430 -12.171 28.237 1.00 0.00 H ATOM 654 N LEU A 85 -20.185 -9.847 30.646 1.00 28.94 N ATOM 655 CA LEU A 85 -19.870 -8.620 31.363 1.00 29.41 C ATOM 656 C LEU A 85 -20.736 -7.439 30.973 1.00 31.99 C ATOM 657 O LEU A 85 -21.089 -6.641 31.839 1.00 31.63 O ATOM 658 CB LEU A 85 -18.386 -8.272 31.239 1.00 29.67 C ATOM 659 CG LEU A 85 -17.397 -9.341 31.730 1.00 34.78 C ATOM 660 CD1 LEU A 85 -15.976 -8.872 31.547 1.00 36.22 C ATOM 661 CD2 LEU A 85 -17.643 -9.747 33.206 1.00 34.82 C ATOM 662 H LEU A 85 -19.534 -10.177 29.905 1.00 0.00 H ATOM 663 N PHE A 86 -21.095 -7.340 29.700 1.00 28.29 N ATOM 664 CA PHE A 86 -21.945 -6.244 29.230 1.00 28.23 C ATOM 665 C PHE A 86 -23.409 -6.522 29.521 1.00 31.31 C ATOM 666 O PHE A 86 -24.194 -5.590 29.615 1.00 31.45 O ATOM 667 CB PHE A 86 -21.722 -6.022 27.720 1.00 28.85 C ATOM 668 CG PHE A 86 -20.586 -5.075 27.345 1.00 29.42 C ATOM 669 CD1 PHE A 86 -19.598 -4.738 28.270 1.00 31.50 C ATOM 670 CD2 PHE A 86 -20.525 -4.508 26.075 1.00 31.55 C ATOM 671 CE1 PHE A 86 -18.579 -3.839 27.935 1.00 32.45 C ATOM 672 CE2 PHE A 86 -19.497 -3.624 25.728 1.00 34.48 C ATOM 673 CZ PHE A 86 -18.539 -3.284 26.663 1.00 32.89 C ATOM 674 H PHE A 86 -20.766 -8.056 29.021 1.00 0.00 H ATOM 675 N GLY A 87 -23.757 -7.800 29.644 1.00 28.64 N ATOM 676 CA GLY A 87 -25.113 -8.266 29.942 1.00 28.63 C ATOM 677 C GLY A 87 -26.057 -8.285 28.749 1.00 32.81 C ATOM 678 O GLY A 87 -27.283 -8.228 28.921 1.00 31.54 O ATOM 679 H GLY A 87 -23.015 -8.518 29.520 1.00 0.00 H ATOM 680 N VAL A 88 -25.503 -8.345 27.528 1.00 29.18 N ATOM 681 CA VAL A 88 -26.304 -8.336 26.301 1.00 29.25 C ATOM 682 C VAL A 88 -25.802 -9.397 25.311 1.00 31.99 C ATOM 683 O VAL A 88 -24.590 -9.652 25.293 1.00 32.01 O ATOM 684 CB VAL A 88 -26.388 -6.925 25.622 1.00 33.20 C ATOM 685 CG1 VAL A 88 -27.079 -5.896 26.522 1.00 33.50 C ATOM 686 CG2 VAL A 88 -25.018 -6.425 25.170 1.00 32.75 C ATOM 687 H VAL A 88 -24.467 -8.400 27.450 1.00 0.00 H ATOM 688 N PRO A 89 -26.671 -9.959 24.424 1.00 29.51 N ATOM 689 CA PRO A 89 -26.180 -10.950 23.464 1.00 30.10 C ATOM 690 C PRO A 89 -25.505 -10.285 22.266 1.00 35.13 C ATOM 691 O PRO A 89 -24.758 -10.944 21.547 1.00 35.96 O ATOM 692 CB PRO A 89 -27.457 -11.696 23.040 1.00 32.86 C ATOM 693 CG PRO A 89 -28.544 -10.686 23.179 1.00 36.52 C ATOM 694 CD PRO A 89 -28.144 -9.801 24.332 1.00 32.53 C ATOM 695 N SER A 90 -25.822 -8.989 22.022 1.00 31.55 N ATOM 696 CA SER A 90 -25.318 -8.204 20.884 1.00 30.60 C ATOM 697 C SER A 90 -25.600 -6.734 21.172 1.00 32.38 C ATOM 698 O SER A 90 -26.424 -6.423 22.031 1.00 31.50 O ATOM 699 CB SER A 90 -26.025 -8.615 19.591 1.00 34.88 C ATOM 700 OG SER A 90 -27.420 -8.371 19.682 1.00 41.04 O ATOM 701 HG SER A 90 -27.797 -8.894 20.433 1.00 0.00 H ATOM 702 H SER A 90 -26.467 -8.516 22.687 1.00 0.00 H ATOM 703 N PHE A 91 -24.877 -5.839 20.502 1.00 28.86 N ATOM 704 CA PHE A 91 -25.068 -4.400 20.640 1.00 27.80 C ATOM 705 C PHE A 91 -24.500 -3.706 19.416 1.00 34.43 C ATOM 706 O PHE A 91 -23.668 -4.268 18.695 1.00 32.09 O ATOM 707 CB PHE A 91 -24.412 -3.861 21.939 1.00 28.05 C ATOM 708 CG PHE A 91 -22.908 -4.039 22.007 1.00 28.03 C ATOM 709 CD1 PHE A 91 -22.350 -5.193 22.556 1.00 29.67 C ATOM 710 CD2 PHE A 91 -22.054 -3.053 21.532 1.00 29.44 C ATOM 711 CE1 PHE A 91 -20.955 -5.350 22.622 1.00 31.08 C ATOM 712 CE2 PHE A 91 -20.665 -3.214 21.589 1.00 30.65 C ATOM 713 CZ PHE A 91 -20.125 -4.371 22.118 1.00 29.01 C ATOM 714 H PHE A 91 -24.142 -6.182 19.850 1.00 0.00 H ATOM 715 N SER A 92 -24.942 -2.471 19.207 1.00 32.22 N ATOM 716 CA SER A 92 -24.477 -1.636 18.117 1.00 32.24 C ATOM 717 C SER A 92 -23.353 -0.754 18.615 1.00 34.24 C ATOM 718 O SER A 92 -23.499 -0.081 19.639 1.00 32.84 O ATOM 719 CB SER A 92 -25.620 -0.784 17.566 1.00 35.53 C ATOM 720 OG SER A 92 -25.113 0.267 16.762 1.00 38.31 O ATOM 721 HG SER A 92 -25.866 0.808 16.414 1.00 0.00 H ATOM 722 H SER A 92 -25.656 -2.084 19.857 1.00 0.00 H ATOM 723 N VAL A 93 -22.236 -0.750 17.879 1.00 32.79 N ATOM 724 CA VAL A 93 -21.034 0.063 18.146 1.00 34.62 C ATOM 725 C VAL A 93 -21.365 1.576 18.050 1.00 38.48 C ATOM 726 O VAL A 93 -20.643 2.413 18.616 1.00 39.04 O ATOM 727 CB VAL A 93 -19.853 -0.372 17.222 1.00 39.83 C ATOM 728 CG1 VAL A 93 -18.622 0.505 17.416 1.00 41.44 C ATOM 729 CG2 VAL A 93 -19.492 -1.836 17.460 1.00 38.65 C ATOM 730 H VAL A 93 -22.213 -1.374 17.047 1.00 0.00 H ATOM 731 N LYS A 94 -22.481 1.914 17.381 1.00 34.71 N ATOM 732 CA LYS A 94 -22.922 3.305 17.224 1.00 35.12 C ATOM 733 C LYS A 94 -23.613 3.875 18.464 1.00 39.30 C ATOM 734 O LYS A 94 -23.695 5.095 18.606 1.00 40.20 O ATOM 735 CB LYS A 94 -23.855 3.450 16.007 1.00 37.27 C ATOM 736 CG LYS A 94 -23.237 3.049 14.680 1.00 49.72 C ATOM 737 CD LYS A 94 -24.158 3.447 13.536 1.00 60.58 C ATOM 738 CE LYS A 94 -23.599 3.084 12.182 1.00 84.02 C ATOM 739 NZ LYS A 94 -22.402 3.900 11.815 1.00 98.42 N ATOM 740 HZ1 LYS A 94 -22.663 4.906 11.793 1.00 0.00 H ATOM 741 HZ2 LYS A 94 -21.653 3.751 12.520 1.00 0.00 H ATOM 742 HZ3 LYS A 94 -22.060 3.609 10.877 1.00 0.00 H ATOM 743 H LYS A 94 -23.056 1.158 16.957 1.00 0.00 H ATOM 744 N GLU A 95 -24.123 3.004 19.344 1.00 36.27 N ATOM 745 CA GLU A 95 -24.871 3.392 20.546 1.00 36.32 C ATOM 746 C GLU A 95 -23.925 3.620 21.723 1.00 38.45 C ATOM 747 O GLU A 95 -23.900 2.850 22.671 1.00 34.78 O ATOM 748 CB GLU A 95 -25.933 2.334 20.874 1.00 37.44 C ATOM 749 CG GLU A 95 -26.963 2.139 19.779 1.00 48.59 C ATOM 750 CD GLU A 95 -28.121 1.264 20.214 1.00 77.49 C ATOM 751 OE1 GLU A 95 -27.920 0.036 20.362 1.00 80.35 O ATOM 752 OE2 GLU A 95 -29.222 1.814 20.442 1.00 73.88 O ATOM 753 H GLU A 95 -23.980 1.990 19.165 1.00 0.00 H ATOM 754 N HIS A 96 -23.153 4.700 21.645 1.00 37.04 N ATOM 755 CA HIS A 96 -22.130 5.076 22.623 1.00 36.07 C ATOM 756 C HIS A 96 -22.630 5.142 24.069 1.00 38.74 C ATOM 757 O HIS A 96 -21.940 4.654 24.956 1.00 36.84 O ATOM 758 CB HIS A 96 -21.462 6.399 22.204 1.00 38.68 C ATOM 759 CG HIS A 96 -20.673 6.305 20.931 1.00 43.00 C ATOM 760 ND1 HIS A 96 -20.009 7.402 20.421 1.00 46.59 N ATOM 761 CD2 HIS A 96 -20.473 5.254 20.100 1.00 44.10 C ATOM 762 CE1 HIS A 96 -19.446 6.993 19.297 1.00 46.35 C ATOM 763 NE2 HIS A 96 -19.704 5.710 19.061 1.00 45.54 N ATOM 764 H HIS A 96 -23.286 5.326 20.826 1.00 0.00 H ATOM 765 N ARG A 97 -23.832 5.704 24.295 1.00 36.49 N ATOM 766 CA ARG A 97 -24.455 5.842 25.619 1.00 36.49 C ATOM 767 C ARG A 97 -24.624 4.460 26.283 1.00 36.34 C ATOM 768 O ARG A 97 -24.266 4.270 27.444 1.00 34.02 O ATOM 769 CB ARG A 97 -25.805 6.573 25.471 1.00 40.59 C ATOM 770 CG ARG A 97 -26.878 6.256 26.508 1.00 54.18 C ATOM 771 CD ARG A 97 -28.245 6.097 25.860 1.00 64.24 C ATOM 772 NE ARG A 97 -28.809 7.377 25.421 1.00 73.43 N ATOM 773 CZ ARG A 97 -28.931 7.757 24.151 1.00 91.27 C ATOM 774 NH1 ARG A 97 -28.536 6.955 23.168 1.00 85.58 N ATOM 775 NH2 ARG A 97 -29.460 8.938 23.853 1.00 71.71 N ATOM 776 HE ARG A 97 -29.138 8.036 26.155 1.00 0.00 H ATOM 777 HH12 ARG A 97 -28.634 7.258 22.178 1.00 0.00 H ATOM 778 HH11 ARG A 97 -28.129 6.024 23.388 1.00 0.00 H ATOM 779 HH22 ARG A 97 -29.553 9.230 22.859 1.00 0.00 H ATOM 780 HH21 ARG A 97 -29.781 9.571 24.613 1.00 0.00 H ATOM 781 H ARG A 97 -24.357 6.067 23.474 1.00 0.00 H ATOM 782 N LYS A 98 -25.159 3.504 25.522 1.00 30.30 N ATOM 783 CA LYS A 98 -25.379 2.140 25.996 1.00 29.73 C ATOM 784 C LYS A 98 -24.059 1.478 26.295 1.00 30.84 C ATOM 785 O LYS A 98 -23.921 0.824 27.338 1.00 30.88 O ATOM 786 CB LYS A 98 -26.184 1.350 24.937 1.00 32.70 C ATOM 787 CG LYS A 98 -27.636 1.816 24.848 1.00 45.34 C ATOM 788 CD LYS A 98 -28.456 0.902 23.947 1.00 54.56 C ATOM 789 CE LYS A 98 -29.868 1.405 23.781 1.00 69.16 C ATOM 790 NZ LYS A 98 -30.648 0.543 22.855 1.00 77.69 N ATOM 791 HZ1 LYS A 98 -30.189 0.535 21.922 1.00 0.00 H ATOM 792 HZ2 LYS A 98 -30.685 -0.425 23.233 1.00 0.00 H ATOM 793 HZ3 LYS A 98 -31.614 0.918 22.764 1.00 0.00 H ATOM 794 H LYS A 98 -25.432 3.741 24.547 1.00 0.00 H ATOM 795 N ILE A 99 -23.070 1.685 25.411 1.00 28.25 N ATOM 796 CA ILE A 99 -21.732 1.098 25.571 1.00 27.60 C ATOM 797 C ILE A 99 -21.061 1.637 26.838 1.00 30.01 C ATOM 798 O ILE A 99 -20.565 0.839 27.631 1.00 28.64 O ATOM 799 CB ILE A 99 -20.873 1.235 24.299 1.00 30.67 C ATOM 800 CG1 ILE A 99 -21.510 0.408 23.162 1.00 30.74 C ATOM 801 CG2 ILE A 99 -19.423 0.817 24.567 1.00 31.83 C ATOM 802 CD1 ILE A 99 -20.985 0.747 21.813 1.00 32.28 C ATOM 803 H ILE A 99 -23.258 2.283 24.581 1.00 0.00 H ATOM 804 N TYR A 100 -21.064 2.956 27.036 1.00 28.56 N ATOM 805 CA TYR A 100 -20.516 3.542 28.279 1.00 29.17 C ATOM 806 C TYR A 100 -21.175 2.964 29.530 1.00 31.53 C ATOM 807 O TYR A 100 -20.467 2.607 30.465 1.00 30.77 O ATOM 808 CB TYR A 100 -20.639 5.072 28.280 1.00 31.33 C ATOM 809 CG TYR A 100 -19.600 5.768 27.440 1.00 34.81 C ATOM 810 CD1 TYR A 100 -18.245 5.635 27.721 1.00 37.74 C ATOM 811 CD2 TYR A 100 -19.970 6.637 26.416 1.00 36.43 C ATOM 812 CE1 TYR A 100 -17.281 6.295 26.964 1.00 39.94 C ATOM 813 CE2 TYR A 100 -19.014 7.278 25.634 1.00 37.78 C ATOM 814 CZ TYR A 100 -17.670 7.111 25.918 1.00 43.68 C ATOM 815 OH TYR A 100 -16.721 7.759 25.163 1.00 46.16 O ATOM 816 HH TYR A 100 -15.819 7.529 25.500 1.00 0.00 H ATOM 817 H TYR A 100 -21.458 3.582 26.305 1.00 0.00 H ATOM 818 N THR A 101 -22.519 2.836 29.537 1.00 28.94 N ATOM 819 CA THR A 101 -23.274 2.274 30.660 1.00 29.53 C ATOM 820 C THR A 101 -22.771 0.858 31.001 1.00 30.48 C ATOM 821 O THR A 101 -22.521 0.542 32.166 1.00 29.60 O ATOM 822 CB THR A 101 -24.785 2.249 30.334 1.00 35.69 C ATOM 823 OG1 THR A 101 -25.231 3.577 30.082 1.00 35.94 O ATOM 824 CG2 THR A 101 -25.625 1.632 31.465 1.00 39.69 C ATOM 825 HG1 THR A 101 -26.199 3.565 29.873 1.00 0.00 H ATOM 826 H THR A 101 -23.047 3.154 28.699 1.00 0.00 H ATOM 827 N MET A 102 -22.593 0.030 29.966 1.00 26.90 N ATOM 828 CA MET A 102 -22.150 -1.359 30.136 1.00 25.28 C ATOM 829 C MET A 102 -20.703 -1.425 30.640 1.00 28.98 C ATOM 830 O MET A 102 -20.392 -2.266 31.492 1.00 29.31 O ATOM 831 CB MET A 102 -22.326 -2.135 28.823 1.00 27.20 C ATOM 832 CG MET A 102 -23.797 -2.333 28.485 1.00 30.49 C ATOM 833 SD MET A 102 -24.159 -3.314 27.002 1.00 34.17 S ATOM 834 CE MET A 102 -23.489 -2.378 25.764 1.00 30.71 C ATOM 835 H MET A 102 -22.775 0.383 29.005 1.00 0.00 H ATOM 836 N ILE A 103 -19.834 -0.545 30.117 1.00 25.87 N ATOM 837 CA ILE A 103 -18.419 -0.469 30.532 1.00 25.19 C ATOM 838 C ILE A 103 -18.304 -0.015 31.991 1.00 28.27 C ATOM 839 O ILE A 103 -17.563 -0.620 32.789 1.00 27.21 O ATOM 840 CB ILE A 103 -17.581 0.441 29.586 1.00 27.99 C ATOM 841 CG1 ILE A 103 -17.386 -0.238 28.200 1.00 28.20 C ATOM 842 CG2 ILE A 103 -16.189 0.757 30.214 1.00 29.88 C ATOM 843 CD1 ILE A 103 -16.879 0.739 27.163 1.00 31.03 C ATOM 844 H ILE A 103 -20.173 0.113 29.386 1.00 0.00 H ATOM 845 N TYR A 104 -19.023 1.068 32.338 1.00 27.59 N ATOM 846 CA TYR A 104 -18.969 1.622 33.695 1.00 27.27 C ATOM 847 C TYR A 104 -19.303 0.615 34.783 1.00 30.10 C ATOM 848 O TYR A 104 -18.704 0.674 35.847 1.00 30.03 O ATOM 849 CB TYR A 104 -19.887 2.835 33.845 1.00 28.63 C ATOM 850 CG TYR A 104 -19.527 4.086 33.071 1.00 29.04 C ATOM 851 CD1 TYR A 104 -18.197 4.391 32.762 1.00 31.27 C ATOM 852 CD2 TYR A 104 -20.507 5.005 32.703 1.00 30.92 C ATOM 853 CE1 TYR A 104 -17.862 5.573 32.082 1.00 32.38 C ATOM 854 CE2 TYR A 104 -20.179 6.192 32.043 1.00 32.17 C ATOM 855 CZ TYR A 104 -18.859 6.456 31.707 1.00 36.80 C ATOM 856 OH TYR A 104 -18.538 7.635 31.062 1.00 36.78 O ATOM 857 HH TYR A 104 -19.021 7.680 30.199 1.00 0.00 H ATOM 858 H TYR A 104 -19.631 1.523 31.628 1.00 0.00 H ATOM 859 N ARG A 105 -20.259 -0.307 34.532 1.00 28.28 N ATOM 860 CA ARG A 105 -20.619 -1.353 35.521 1.00 28.98 C ATOM 861 C ARG A 105 -19.424 -2.284 35.825 1.00 32.71 C ATOM 862 O ARG A 105 -19.403 -2.933 36.868 1.00 33.98 O ATOM 863 CB ARG A 105 -21.788 -2.183 34.989 1.00 32.56 C ATOM 864 CG ARG A 105 -23.098 -1.431 35.015 1.00 39.24 C ATOM 865 CD ARG A 105 -24.206 -2.242 34.392 1.00 47.73 C ATOM 866 NE ARG A 105 -25.431 -1.450 34.309 1.00 57.59 N ATOM 867 CZ ARG A 105 -26.569 -1.890 33.788 1.00 75.04 C ATOM 868 NH1 ARG A 105 -26.648 -3.120 33.290 1.00 65.82 N ATOM 869 NH2 ARG A 105 -27.637 -1.105 33.755 1.00 61.15 N ATOM 870 HE ARG A 105 -25.409 -0.479 34.682 1.00 0.00 H ATOM 871 HH12 ARG A 105 -27.543 -3.460 32.883 1.00 0.00 H ATOM 872 HH11 ARG A 105 -25.815 -3.743 33.308 1.00 0.00 H ATOM 873 HH22 ARG A 105 -28.527 -1.455 33.346 1.00 0.00 H ATOM 874 HH21 ARG A 105 -27.585 -0.140 34.139 1.00 0.00 H ATOM 875 H ARG A 105 -20.757 -0.283 33.619 1.00 0.00 H ATOM 876 N ASN A 106 -18.422 -2.298 34.938 1.00 27.82 N ATOM 877 CA ASN A 106 -17.250 -3.175 35.015 1.00 27.58 C ATOM 878 C ASN A 106 -15.976 -2.490 35.428 1.00 30.61 C ATOM 879 O ASN A 106 -14.889 -3.033 35.220 1.00 29.81 O ATOM 880 CB ASN A 106 -17.055 -3.884 33.681 1.00 27.23 C ATOM 881 CG ASN A 106 -18.103 -4.926 33.445 1.00 35.84 C ATOM 882 OD1 ASN A 106 -18.028 -6.014 33.980 1.00 31.96 O ATOM 883 ND2 ASN A 106 -19.113 -4.597 32.655 1.00 31.55 N ATOM 884 HD22 ASN A 106 -19.143 -3.656 32.214 1.00 0.00 H ATOM 885 HD21 ASN A 106 -19.876 -5.280 32.475 1.00 0.00 H ATOM 886 H ASN A 106 -18.479 -1.639 34.136 1.00 0.00 H ATOM 887 N LEU A 107 -16.090 -1.298 35.988 1.00 29.75 N ATOM 888 CA LEU A 107 -14.904 -0.610 36.489 1.00 30.14 C ATOM 889 C LEU A 107 -15.190 0.235 37.694 1.00 31.66 C ATOM 890 O LEU A 107 -16.356 0.464 38.064 1.00 30.76 O ATOM 891 CB LEU A 107 -14.268 0.266 35.412 1.00 30.12 C ATOM 892 CG LEU A 107 -15.156 1.328 34.753 1.00 32.80 C ATOM 893 CD1 LEU A 107 -15.202 2.617 35.558 1.00 34.34 C ATOM 894 CD2 LEU A 107 -14.654 1.611 33.385 1.00 35.12 C ATOM 895 H LEU A 107 -17.025 -0.850 36.072 1.00 0.00 H ATOM 896 N VAL A 108 -14.106 0.768 38.257 1.00 29.80 N ATOM 897 CA VAL A 108 -14.159 1.725 39.366 1.00 30.67 C ATOM 898 C VAL A 108 -13.309 2.914 38.940 1.00 30.69 C ATOM 899 O VAL A 108 -12.227 2.735 38.388 1.00 31.69 O ATOM 900 CB VAL A 108 -13.706 1.146 40.747 1.00 37.97 C ATOM 901 CG1 VAL A 108 -14.500 -0.114 41.121 1.00 37.99 C ATOM 902 CG2 VAL A 108 -12.202 0.869 40.775 1.00 39.09 C ATOM 903 H VAL A 108 -13.173 0.490 37.890 1.00 0.00 H ATOM 904 N VAL A 109 -13.763 4.113 39.208 1.00 27.49 N ATOM 905 CA VAL A 109 -12.970 5.293 38.872 1.00 27.24 C ATOM 906 C VAL A 109 -11.835 5.450 39.912 1.00 30.99 C ATOM 907 O VAL A 109 -12.031 5.141 41.088 1.00 31.60 O ATOM 908 CB VAL A 109 -13.850 6.553 38.804 1.00 31.24 C ATOM 909 CG1 VAL A 109 -13.031 7.765 38.388 1.00 32.20 C ATOM 910 CG2 VAL A 109 -15.011 6.354 37.847 1.00 31.27 C ATOM 911 H VAL A 109 -14.692 4.225 39.662 1.00 0.00 H ATOM 912 N VAL A 110 -10.658 5.888 39.475 1.00 29.57 N ATOM 913 CA VAL A 110 -9.526 6.095 40.398 1.00 31.96 C ATOM 914 C VAL A 110 -8.961 7.492 40.225 1.00 40.23 C ATOM 915 O VAL A 110 -9.292 8.169 39.248 1.00 39.37 O ATOM 916 CB VAL A 110 -8.424 5.012 40.262 1.00 34.79 C ATOM 917 CG1 VAL A 110 -8.959 3.635 40.614 1.00 34.08 C ATOM 918 CG2 VAL A 110 -7.794 5.023 38.867 1.00 34.35 C ATOM 919 H VAL A 110 -10.533 6.089 38.462 1.00 0.00 H ATOM 920 N ASN A 111 -8.071 7.894 41.154 1.00 42.34 N ATOM 921 CA ASN A 111 -7.365 9.183 41.177 1.00 45.75 C ATOM 922 C ASN A 111 -6.035 9.095 40.425 1.00 53.90 C ATOM 923 O ASN A 111 -5.526 8.002 40.204 1.00 52.25 O ATOM 924 CB ASN A 111 -7.082 9.585 42.640 1.00 50.80 C ATOM 925 CG ASN A 111 -7.928 10.714 43.171 1.00 83.84 C ATOM 926 OD1 ASN A 111 -8.465 11.548 42.425 1.00 84.64 O ATOM 927 ND2 ASN A 111 -8.027 10.788 44.488 1.00 75.69 N ATOM 928 HD22 ASN A 111 -7.565 10.073 45.085 1.00 0.00 H ATOM 929 HD21 ASN A 111 -8.567 11.561 44.926 1.00 0.00 H ATOM 930 H ASN A 111 -7.864 7.230 41.927 1.00 0.00 H ATOM 931 N GLN A 112 -5.440 10.255 40.105 1.00 57.31 N ATOM 932 CA GLN A 112 -4.175 10.367 39.376 1.00 59.86 C ATOM 933 C GLN A 112 -2.935 10.265 40.275 1.00 67.64 C ATOM 934 O GLN A 112 -2.060 11.133 40.227 1.00 70.31 O ATOM 935 CB GLN A 112 -4.162 11.649 38.530 1.00 62.89 C ATOM 936 H GLN A 112 -5.910 11.136 40.395 1.00 0.00 H ATOM 937 N GLN A 113 -2.860 9.181 41.076 1.00 63.81 N ATOM 938 CA GLN A 113 -1.770 8.877 42.005 1.00 98.63 C ATOM 939 C GLN A 113 -1.743 7.379 42.317 1.00128.45 C ATOM 940 O GLN A 113 -2.790 6.768 42.530 1.00 86.98 O ATOM 941 CB GLN A 113 -1.911 9.688 43.304 1.00100.99 C ATOM 942 H GLN A 113 -3.646 8.502 41.029 1.00 0.00 H TER 943 GLN A 113 HETATM 944 O HOH 1 -22.031 -16.550 27.751 1.00 35.12 O HETATM 945 O HOH 2 -8.770 -1.425 18.936 1.00 37.29 O HETATM 946 O HOH 3 -17.556 9.627 23.421 1.00 54.37 O HETATM 947 O HOH 4 -15.701 10.728 32.877 1.00 50.82 O HETATM 948 O HOH 5 -5.268 7.562 26.743 1.00 47.85 O HETATM 949 O HOH 6 -1.340 -1.053 20.291 1.00 48.63 O HETATM 950 O HOH 7 -8.283 -12.610 23.821 1.00 53.05 O HETATM 951 O HOH 8 -22.668 6.969 16.955 1.00 50.75 O HETATM 952 O HOH 9 -16.008 -16.132 21.494 1.00 54.75 O HETATM 953 O HOH 10 -24.723 -4.784 32.140 1.00 52.34 O HETATM 954 O HOH 11 -8.234 -10.003 36.733 1.00 44.39 O HETATM 955 O HOH 12 -19.372 -13.576 17.612 1.00 47.59 O HETATM 956 O HOH 13 -27.006 4.573 22.998 1.00 63.83 O HETATM 957 O HOH 14 -20.286 -19.034 27.539 1.00 36.86 O HETATM 958 O HOH 15 -18.755 -16.863 27.981 1.00 42.85 O HETATM 959 O HOH 16 -27.445 1.497 15.916 1.00 52.73 O HETATM 960 O HOH 17 -12.416 -14.317 27.062 1.00 68.09 O HETATM 961 O HOH 18 -9.853 9.875 37.116 1.00 39.86 O HETATM 962 O HOH 19 -25.840 -12.404 19.065 1.00 42.58 O HETATM 963 O HOH 20 -20.030 9.574 29.714 1.00 44.20 O HETATM 964 O HOH 21 -20.855 -15.289 21.207 1.00 45.86 O HETATM 965 O HOH 22 -28.492 -1.151 13.971 1.00 70.00 O HETATM 966 O HOH 23 -0.677 -9.183 35.300 1.00 81.13 O HETATM 967 O HOH 24 -23.509 2.239 34.192 1.00 36.46 O HETATM 968 O HOH 25 -9.513 -5.791 38.976 1.00 51.23 O HETATM 969 O HOH 26 -15.277 -15.834 26.396 1.00 42.93 O HETATM 970 O HOH 27 -19.969 9.724 22.043 1.00 59.84 O HETATM 971 O HOH 28 -27.865 3.579 28.981 1.00 55.94 O HETATM 972 O HOH 29 -22.138 -1.155 9.533 1.00 49.95 O HETATM 973 O HOH 30 -14.027 -18.147 23.308 1.00 66.91 O HETATM 974 O HOH 31 -9.534 20.651 31.403 1.00 63.24 O HETATM 975 O HOH 32 -15.572 -6.984 35.209 1.00 33.47 O HETATM 976 O HOH 33 -26.434 1.175 35.278 1.00 74.84 O HETATM 977 O HOH 34 -28.964 -10.919 19.565 1.00 52.12 O HETATM 978 O HOH 35 -15.717 9.593 28.012 1.00 67.34 O HETATM 979 O HOH 36 -15.403 -8.699 37.591 1.00 32.40 O HETATM 980 O HOH 37 -8.709 0.793 17.498 1.00 39.46 O HETATM 981 O HOH 38 -13.291 13.904 26.493 1.00 59.17 O HETATM 982 O HOH 39 -8.241 6.086 43.684 1.00 46.80 O HETATM 983 O HOH 40 -6.128 14.030 32.159 1.00 49.16 O HETATM 984 O HOH 41 -18.624 -4.332 42.554 1.00 60.14 O HETATM 985 O HOH 42 -3.148 5.284 39.707 1.00 78.36 O HETATM 986 O HOH 43 -21.995 -4.186 38.313 1.00 63.12 O HETATM 987 O HOH 44 -1.482 -9.433 22.579 1.00 71.57 O HETATM 988 O HOH 45 -0.988 0.466 36.014 1.00 59.43 O HETATM 989 O HOH 46 -18.573 -22.675 24.292 1.00 59.65 O HETATM 990 O HOH 47 -21.538 -1.627 39.122 1.00 50.31 O HETATM 991 O HOH 48 -26.928 -0.179 28.731 1.00 55.14 O HETATM 992 O HOH 49 -22.823 -15.362 18.996 1.00 64.71 O HETATM 993 O HOH 50 -9.949 -14.450 24.945 1.00 54.46 O HETATM 994 O HOH 51 -9.508 13.196 23.880 1.00 70.27 O HETATM 995 O HOH 52 -19.737 -5.964 40.690 1.00 66.42 O HETATM 996 O HOH 53 -18.544 -16.552 20.657 1.00 47.36 O HETATM 997 O HOH 54 -31.683 12.136 23.318 1.00 59.91 O HETATM 998 O HOH 55 -10.207 -16.407 18.770 1.00 67.71 O HETATM 999 O HOH 56 -21.151 12.276 28.173 1.00 69.82 O HETATM 1000 O HOH 57 -22.086 -13.069 8.727 1.00 82.76 O HETATM 1001 O HOH 58 -11.597 -18.019 20.839 1.00 82.92 O HETATM 1002 O HOH 59 -23.309 11.531 25.912 1.00 49.68 O HETATM 1003 O HOH 60 -17.494 10.215 17.883 1.00 65.17 O HETATM 1004 O HOH 61 -9.168 -15.939 21.645 1.00 67.19 O HETATM 1005 O HOH 62 -20.725 10.999 24.731 1.00 71.76 O HETATM 1006 O HOH 63 -15.165 -6.074 41.697 1.00 52.48 O HETATM 1007 O HOH 64 -22.381 9.064 27.680 1.00 74.28 O HETATM 1008 O HOH 65 -12.260 -5.493 43.005 1.00 69.10 O HETATM 1009 C1 UNN A 66 -16.573 5.542 21.074 1.00 0.11 C HETATM 1010 C2 UNN A 66 -17.374 5.859 22.219 1.00 -0.04 C HETATM 1011 C3 UNN A 66 -18.171 4.870 22.796 1.00 -0.08 C HETATM 1012 C4 UNN A 66 -18.202 3.562 22.281 1.00 -0.09 C HETATM 1013 C5 UNN A 66 -17.389 3.234 21.174 1.00 -0.05 C HETATM 1014 C UNN A 66 -16.558 4.219 20.562 1.00 0.07 C HETATM 1015 N UNN A 66 -15.652 3.974 19.463 1.00 -0.31 N HETATM 1016 C10 UNN A 66 -14.190 3.886 19.935 1.00 0.05 C HETATM 1017 C11 UNN A 66 -13.248 3.791 18.729 1.00 0.05 C HETATM 1018 N1 UNN A 66 -13.629 2.581 17.944 1.00 -0.27 N HETATM 1019 C12 UNN A 66 -12.630 1.575 17.774 1.00 0.24 C HETATM 1020 C13 UNN A 66 -12.944 0.221 17.083 1.00 0.19 C HETATM 1021 O5 UNN A 66 -14.220 -0.298 17.559 1.00 -0.30 O HETATM 1022 C28 UNN A 66 -14.534 -0.478 18.890 1.00 0.15 C HETATM 1023 C29 UNN A 66 -13.686 -0.206 19.967 1.00 0.08 C HETATM 1024 S UNN A 66 -14.394 -0.541 21.465 1.00 -0.00 S HETATM 1025 C30 UNN A 66 -15.812 -1.035 20.687 1.00 0.09 C HETATM 1026 C32 UNN A 66 -17.005 -1.527 21.418 1.00 0.34 C HETATM 1027 F5 UNN A 66 -17.815 -0.561 21.764 1.00 -0.27 F HETATM 1028 F3 UNN A 66 -17.755 -2.356 20.744 1.00 -0.27 F HETATM 1029 F4 UNN A 66 -16.729 -2.199 22.517 1.00 -0.27 F HETATM 1030 C31 UNN A 66 -15.797 -0.965 19.323 1.00 0.01 C HETATM 1031 H17 UNN A 66 -16.624 -1.240 18.669 1.00 0.09 H HETATM 1032 H16 UNN A 66 -12.675 0.181 19.853 1.00 0.12 H HETATM 1033 C17 UNN A 66 -11.776 -0.811 17.257 1.00 -0.01 C HETATM 1034 C16 UNN A 66 -12.086 -2.161 16.601 1.00 -0.03 C HETATM 1035 C15 UNN A 66 -12.461 -1.979 15.110 1.00 0.03 C HETATM 1036 N2 UNN A 66 -13.474 -0.875 14.891 1.00 -0.26 N HETATM 1037 C18 UNN A 66 -14.682 -1.061 14.191 1.00 0.23 C HETATM 1038 C19 UNN A 66 -14.821 -2.324 13.394 1.00 0.11 C HETATM 1039 C23 UNN A 66 -15.639 -3.424 13.740 1.00 0.09 C HETATM 1040 C22 UNN A 66 -15.697 -4.552 12.896 1.00 -0.00 C HETATM 1041 C21 UNN A 66 -14.919 -4.520 11.723 1.00 0.04 C HETATM 1042 N3 UNN A 66 -14.114 -3.473 11.354 1.00 -0.26 N HETATM 1043 C20 UNN A 66 -14.069 -2.396 12.178 1.00 0.06 C HETATM 1044 H23 UNN A 66 -13.439 -1.557 11.905 1.00 0.10 H HETATM 1045 H22 UNN A 66 -14.959 -5.382 11.067 1.00 0.09 H HETATM 1046 H13 UNN A 66 -16.315 -5.408 13.140 1.00 0.10 H HETATM 1047 C24 UNN A 66 -16.451 -3.391 15.035 1.00 0.39 C HETATM 1048 F2 UNN A 66 -15.681 -3.153 16.078 1.00 -0.21 F HETATM 1049 F1 UNN A 66 -17.383 -2.436 15.088 1.00 -0.21 F HETATM 1050 F UNN A 66 -17.087 -4.523 15.349 1.00 -0.21 F HETATM 1051 O4 UNN A 66 -15.594 -0.240 14.224 1.00 -0.37 O HETATM 1052 C14 UNN A 66 -13.202 0.437 15.529 1.00 0.09 C HETATM 1053 C25 UNN A 66 -12.047 1.209 14.765 1.00 -0.03 C HETATM 1054 C26 UNN A 66 -12.365 1.685 13.322 1.00 -0.05 C HETATM 1055 C27 UNN A 66 -13.649 2.546 13.238 1.00 -0.07 C HETATM 1056 H27 UNN A 66 -13.819 2.850 12.195 1.00 0.02 H HETATM 1057 H28 UNN A 66 -13.532 3.441 13.867 1.00 0.02 H HETATM 1058 H29 UNN A 66 -14.508 1.958 13.593 1.00 0.02 H HETATM 1059 H14 UNN A 66 -12.494 0.800 12.681 1.00 0.03 H HETATM 1060 H15 UNN A 66 -11.518 2.283 12.955 1.00 0.03 H HETATM 1061 H25 UNN A 66 -11.789 2.097 15.360 1.00 0.03 H HETATM 1062 H26 UNN A 66 -11.177 0.538 14.711 1.00 0.03 H HETATM 1063 H24 UNN A 66 -14.109 1.052 15.435 1.00 0.06 H HETATM 1064 H11 UNN A 66 -12.884 -2.923 14.736 1.00 0.05 H HETATM 1065 H12 UNN A 66 -11.549 -1.736 14.545 1.00 0.05 H HETATM 1066 H20 UNN A 66 -11.199 -2.808 16.673 1.00 0.03 H HETATM 1067 H21 UNN A 66 -12.928 -2.633 17.129 1.00 0.03 H HETATM 1068 H18 UNN A 66 -11.604 -0.972 18.331 1.00 0.03 H HETATM 1069 H19 UNN A 66 -10.867 -0.396 16.798 1.00 0.03 H HETATM 1070 O3 UNN A 66 -11.493 1.788 18.200 1.00 -0.34 O HETATM 1071 C33 UNN A 66 -15.037 2.633 17.391 1.00 0.05 C HETATM 1072 C34 UNN A 66 -16.037 2.867 18.552 1.00 0.05 C HETATM 1073 H32 UNN A 66 -16.106 1.941 19.142 1.00 0.05 H HETATM 1074 H33 UNN A 66 -17.021 3.100 18.120 1.00 0.05 H HETATM 1075 H30 UNN A 66 -15.271 1.681 16.892 1.00 0.05 H HETATM 1076 H31 UNN A 66 -15.117 3.457 16.666 1.00 0.05 H HETATM 1077 H9 UNN A 66 -12.207 3.700 19.074 1.00 0.05 H HETATM 1078 H10 UNN A 66 -13.350 4.690 18.103 1.00 0.05 H HETATM 1079 H7 UNN A 66 -13.942 4.784 20.519 1.00 0.05 H HETATM 1080 H8 UNN A 66 -14.065 2.993 20.565 1.00 0.05 H HETATM 1081 H4 UNN A 66 -17.396 2.222 20.785 1.00 0.05 H HETATM 1082 H3 UNN A 66 -18.844 2.812 22.730 1.00 0.05 H HETATM 1083 H2 UNN A 66 -18.779 5.115 23.659 1.00 0.05 H HETATM 1084 H1 UNN A 66 -17.361 6.860 22.634 1.00 0.05 H HETATM 1085 O UNN A 66 -15.835 6.469 20.364 1.00 -0.32 O HETATM 1086 C6 UNN A 66 -15.723 7.830 20.751 1.00 0.07 C HETATM 1087 C7 UNN A 66 -14.705 8.570 19.851 1.00 -0.01 C HETATM 1088 C8 UNN A 66 -13.318 7.873 19.742 1.00 0.00 C HETATM 1089 C9 UNN A 66 -12.537 7.915 21.044 1.00 0.03 C HETATM 1090 O1 UNN A 66 -12.701 7.162 21.992 1.00 -0.57 O HETATM 1091 O2 UNN A 66 -11.553 8.826 21.217 1.00 -0.57 O HETATM 1092 H36 UNN A 66 -13.474 6.822 19.459 1.00 0.04 H HETATM 1093 H37 UNN A 66 -12.730 8.379 18.962 1.00 0.04 H HETATM 1094 H34 UNN A 66 -14.552 9.579 20.262 1.00 0.03 H HETATM 1095 H35 UNN A 66 -15.132 8.647 18.840 1.00 0.03 H HETATM 1096 H5 UNN A 66 -15.386 7.882 21.797 1.00 0.06 H HETATM 1097 H6 UNN A 66 -16.706 8.314 20.658 1.00 0.06 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1009 1010 1014 1085 CONECT 1010 1009 1011 1084 CONECT 1011 1010 1012 1083 CONECT 1012 1011 1013 1082 CONECT 1013 1012 1014 1081 CONECT 1014 1009 1013 1015 CONECT 1015 1014 1016 1072 CONECT 1016 1015 1017 1079 1080 CONECT 1017 1016 1018 1077 1078 CONECT 1018 1017 1019 1071 CONECT 1019 1018 1020 1070 CONECT 1020 1019 1021 1033 1052 CONECT 1021 1020 1022 CONECT 1022 1021 1023 1030 CONECT 1023 1022 1024 1032 CONECT 1024 1023 1025 CONECT 1025 1024 1026 1030 CONECT 1026 1025 1027 1028 1029 CONECT 1027 1026 CONECT 1028 1026 CONECT 1029 1026 CONECT 1030 1022 1025 1031 CONECT 1031 1030 CONECT 1032 1023 CONECT 1033 1020 1034 1068 1069 CONECT 1034 1033 1035 1066 1067 CONECT 1035 1034 1036 1064 1065 CONECT 1036 1035 1037 1052 CONECT 1037 1036 1038 1051 CONECT 1038 1037 1039 1043 CONECT 1039 1038 1040 1047 CONECT 1040 1039 1041 1046 CONECT 1041 1040 1042 1045 CONECT 1042 1041 1043 CONECT 1043 1038 1042 1044 CONECT 1044 1043 CONECT 1045 1041 CONECT 1046 1040 CONECT 1047 1039 1048 1049 1050 CONECT 1048 1047 CONECT 1049 1047 CONECT 1050 1047 CONECT 1051 1037 CONECT 1052 1020 1036 1053 1063 CONECT 1053 1052 1054 1061 1062 CONECT 1054 1053 1055 1059 1060 CONECT 1055 1054 1056 1057 1058 CONECT 1056 1055 CONECT 1057 1055 CONECT 1058 1055 CONECT 1059 1054 CONECT 1060 1054 CONECT 1061 1053 CONECT 1062 1053 CONECT 1063 1052 CONECT 1064 1035 CONECT 1065 1035 CONECT 1066 1034 CONECT 1067 1034 CONECT 1068 1033 CONECT 1069 1033 CONECT 1070 1019 CONECT 1071 1018 1072 1075 1076 CONECT 1072 1015 1071 1073 1074 CONECT 1073 1072 CONECT 1074 1072 CONECT 1075 1071 CONECT 1076 1071 CONECT 1077 1017 CONECT 1078 1017 CONECT 1079 1016 CONECT 1080 1016 CONECT 1081 1013 CONECT 1082 1012 CONECT 1083 1011 CONECT 1084 1010 CONECT 1085 1009 1086 CONECT 1086 1085 1087 1096 1097 CONECT 1087 1086 1088 1094 1095 CONECT 1088 1087 1089 1092 1093 CONECT 1089 1088 1090 1091 CONECT 1090 1089 CONECT 1091 1089 CONECT 1092 1088 CONECT 1093 1088 CONECT 1094 1087 CONECT 1095 1087 CONECT 1096 1086 CONECT 1097 1086 MASTER 0 0 0 0 0 0 0 0 1096 1 93 8 END
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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
5hmh
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
62R
EC.Number
E.C.6.3.2
Resolution
1.79(Å)
Affinity (Kd/Ki/IC50)
IC50=0.007uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acs Med.Chem.Lett. Vol. 7: pp. 324-329
Ligand Properties
Formula
C
3
5
H
3
8
F
6
N
4
O
6
S
Molecular Weight
756.755
Exact Mass
756.242
No. of atoms
90
No. of bonds
94
Polar Surface Area
140.75
LOGP Value
7.51 (
Computed with XLOGP3
)
6.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 5
Canonical SMILES
CCC[C@H]1N(CCC[C@@]1(Oc1csc(c1)C(F)(F)F)C(=O)N1CCN(CC1)c1ccccc1OCCCC(=O)O)C(=O)c1cnccc1C(F)(F)F
InChI String
InChI=1S/C35H38F6N4O6S/c1-2-7-28-33(51-23-20-29(52-22-23)35(39,40)41,12-6-14-45(28)31(48)24-21-42-13-11-25(24)34(36,37)38)32(49)44-17-15-43(16-18-44)26-8-3-4-9-27(26)50-19-5-10-30(46)47/h3-4,8-9,11,13,20-22,28H,2,5-7,10,12,14-19H2,1H3,(H,46,47)/t28-,33+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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