Browse entries in the PDBbind-CN Database
HEADER 5D0C_COMPLEX COMPND 5D0C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 129 LEU VAL PRO ARG GLY SER ASN PRO PRO PRO PRO GLU THR SEQRES 2 A 129 SER ASN PRO ASN LYS PRO LYS ARG GLN THR ASN GLN LEU SEQRES 3 A 129 GLN TYR LEU LEU ARG VAL VAL LEU LYS THR LEU TRP LYS SEQRES 4 A 129 HIS GLN PHE ALA TRP PRO PHE GLN GLN PRO VAL ASP ALA SEQRES 5 A 129 VAL LYS LEU ASN LEU PRO ASP TYR TYR LYS ILE ILE LYS SEQRES 6 A 129 THR PRO MET ASP MET GLY THR ILE LYS LYS ARG LEU GLU SEQRES 7 A 129 ASN ASN TYR TYR TRP ASN ALA GLN GLU CYS ILE GLN ASP SEQRES 8 A 129 PHE ASN THR MET PHE THR ASN CYS TYR ILE TYR ASN LYS SEQRES 9 A 129 PRO GLY ASP ASP ILE VAL LEU MET ALA GLU ALA LEU GLU SEQRES 10 A 129 LYS LEU PHE LEU GLN LYS ILE ASN GLU LEU PRO THR HET E A 0B 54 ATOM 1 N LEU A 38 -2.950 30.039 10.239 1.00 27.57 N ATOM 2 CA LEU A 38 -4.322 29.815 9.687 1.00 25.77 C ATOM 3 C LEU A 38 -4.498 28.452 9.004 1.00 22.56 C ATOM 4 O LEU A 38 -5.613 27.989 8.886 1.00 23.20 O ATOM 5 CB LEU A 38 -4.725 30.940 8.719 1.00 25.92 C ATOM 6 CG LEU A 38 -4.854 32.336 9.333 1.00 26.74 C ATOM 7 CD1 LEU A 38 -5.319 33.322 8.278 1.00 27.43 C ATOM 8 CD2 LEU A 38 -5.810 32.337 10.521 1.00 27.10 C ATOM 9 HN3 LEU A 38 -2.254 29.987 9.468 1.00 0.00 H ATOM 10 HN2 LEU A 38 -2.739 29.308 10.948 1.00 0.00 H ATOM 11 HN1 LEU A 38 -2.906 30.978 10.684 1.00 0.00 H ATOM 12 N VAL A 39 -3.403 27.847 8.546 1.00 19.87 N ATOM 13 CA VAL A 39 -3.379 26.477 8.058 1.00 18.99 C ATOM 14 C VAL A 39 -2.416 25.729 8.987 1.00 16.88 C ATOM 15 O VAL A 39 -1.212 26.023 8.990 1.00 17.04 O ATOM 16 CB VAL A 39 -2.850 26.409 6.608 1.00 18.96 C ATOM 17 CG1 VAL A 39 -2.836 24.980 6.074 1.00 19.77 C ATOM 18 CG2 VAL A 39 -3.683 27.312 5.703 1.00 19.39 C ATOM 19 H VAL A 39 -2.513 28.386 8.537 1.00 0.00 H ATOM 20 N PRO A 40 -2.931 24.739 9.744 1.00 16.95 N ATOM 21 CA PRO A 40 -1.989 24.030 10.633 1.00 16.11 C ATOM 22 C PRO A 40 -0.911 23.310 9.851 1.00 14.02 C ATOM 23 O PRO A 40 -1.220 22.713 8.831 1.00 12.98 O ATOM 24 CB PRO A 40 -2.875 23.018 11.344 1.00 16.60 C ATOM 25 CG PRO A 40 -4.254 23.614 11.272 1.00 17.74 C ATOM 26 CD PRO A 40 -4.305 24.247 9.917 1.00 17.93 C ATOM 27 N ARG A 41 0.340 23.407 10.292 1.00 14.55 N ATOM 28 CA ARG A 41 1.467 22.792 9.552 1.00 15.48 C ATOM 29 C ARG A 41 2.109 21.609 10.275 1.00 16.41 C ATOM 30 O ARG A 41 2.862 20.844 9.665 1.00 17.87 O ATOM 31 CB ARG A 41 2.542 23.845 9.226 1.00 15.19 C ATOM 32 CG ARG A 41 2.083 25.032 8.379 1.00 15.17 C ATOM 33 CD ARG A 41 1.330 24.632 7.110 1.00 15.14 C ATOM 34 NE ARG A 41 2.191 23.894 6.187 1.00 14.91 N ATOM 35 CZ ARG A 41 2.796 24.379 5.099 1.00 14.21 C ATOM 36 NH1 ARG A 41 3.552 23.586 4.373 1.00 12.86 N ATOM 37 NH2 ARG A 41 2.684 25.663 4.728 1.00 13.79 N ATOM 38 HE ARG A 41 2.349 22.888 6.399 1.00 0.00 H ATOM 39 HH12 ARG A 41 4.027 23.954 3.524 1.00 0.00 H ATOM 40 HH11 ARG A 41 3.675 22.590 4.647 1.00 0.00 H ATOM 41 HH22 ARG A 41 3.171 26.002 3.874 1.00 0.00 H ATOM 42 HH21 ARG A 41 2.110 26.320 5.295 1.00 0.00 H ATOM 43 H ARG A 41 0.531 23.925 11.174 1.00 0.00 H ATOM 44 N GLY A 42 1.769 21.404 11.542 1.00 15.94 N ATOM 45 CA GLY A 42 2.288 20.274 12.311 1.00 15.57 C ATOM 46 C GLY A 42 3.610 20.586 12.955 1.00 14.81 C ATOM 47 O GLY A 42 4.125 21.704 12.896 1.00 14.09 O ATOM 48 H GLY A 42 1.113 22.068 12.002 1.00 0.00 H ATOM 49 N SER A 43 4.125 19.586 13.661 1.00 14.08 N ATOM 50 CA SER A 43 5.408 19.727 14.301 1.00 15.43 C ATOM 51 C SER A 43 5.918 18.324 14.632 1.00 13.63 C ATOM 52 O SER A 43 5.149 17.378 14.790 1.00 14.52 O ATOM 53 CB SER A 43 5.362 20.736 15.481 1.00 19.71 C ATOM 54 OG SER A 43 5.423 20.198 16.757 1.00 20.62 O ATOM 55 HG SER A 43 6.270 19.696 16.862 1.00 0.00 H ATOM 56 H SER A 43 3.598 18.694 13.753 1.00 0.00 H ATOM 57 N ASN A 44 7.235 18.210 14.701 1.00 11.78 N ATOM 58 CA ASN A 44 7.885 16.917 14.801 1.00 11.21 C ATOM 59 C ASN A 44 8.452 16.653 16.183 1.00 10.77 C ATOM 60 O ASN A 44 9.063 17.540 16.774 1.00 11.66 O ATOM 61 CB ASN A 44 9.044 16.871 13.819 1.00 11.38 C ATOM 62 CG ASN A 44 8.593 16.944 12.384 1.00 11.95 C ATOM 63 OD1 ASN A 44 7.651 16.257 11.979 1.00 12.28 O ATOM 64 ND2 ASN A 44 9.245 17.794 11.613 1.00 12.12 N ATOM 65 HD22 ASN A 44 10.033 18.350 12.002 1.00 0.00 H ATOM 66 HD21 ASN A 44 8.971 17.907 10.616 1.00 0.00 H ATOM 67 H ASN A 44 7.819 19.070 14.683 1.00 0.00 H ATOM 68 N PRO A 45 8.343 15.412 16.660 1.00 10.36 N ATOM 69 CA PRO A 45 8.978 15.029 17.900 1.00 10.74 C ATOM 70 C PRO A 45 10.470 14.798 17.695 1.00 10.46 C ATOM 71 O PRO A 45 10.923 14.640 16.557 1.00 10.53 O ATOM 72 CB PRO A 45 8.302 13.715 18.223 1.00 10.52 C ATOM 73 CG PRO A 45 8.084 13.104 16.871 1.00 11.09 C ATOM 74 CD PRO A 45 7.701 14.258 16.005 1.00 10.78 C ATOM 75 N PRO A 46 11.241 14.731 18.792 1.00 10.45 N ATOM 76 CA PRO A 46 12.572 14.145 18.633 1.00 11.08 C ATOM 77 C PRO A 46 12.460 12.718 18.082 1.00 11.05 C ATOM 78 O PRO A 46 11.447 12.063 18.322 1.00 11.37 O ATOM 79 CB PRO A 46 13.118 14.135 20.059 1.00 11.42 C ATOM 80 CG PRO A 46 11.943 14.127 20.940 1.00 12.15 C ATOM 81 CD PRO A 46 10.837 14.827 20.204 1.00 11.43 C ATOM 82 N PRO A 47 13.476 12.248 17.337 1.00 11.62 N ATOM 83 CA PRO A 47 13.383 10.903 16.772 1.00 11.88 C ATOM 84 C PRO A 47 13.452 9.904 17.912 1.00 11.82 C ATOM 85 O PRO A 47 13.920 10.260 19.016 1.00 12.96 O ATOM 86 CB PRO A 47 14.617 10.823 15.879 1.00 12.62 C ATOM 87 CG PRO A 47 15.599 11.699 16.569 1.00 13.12 C ATOM 88 CD PRO A 47 14.774 12.867 17.049 1.00 12.48 C ATOM 89 N PRO A 48 12.937 8.686 17.722 1.00 11.06 N ATOM 90 CA PRO A 48 13.021 7.674 18.782 1.00 11.28 C ATOM 91 C PRO A 48 14.462 7.414 19.268 1.00 11.13 C ATOM 92 O PRO A 48 15.438 7.567 18.514 1.00 11.18 O ATOM 93 CB PRO A 48 12.430 6.412 18.133 1.00 11.34 C ATOM 94 CG PRO A 48 11.684 6.929 16.939 1.00 11.31 C ATOM 95 CD PRO A 48 12.397 8.131 16.468 1.00 11.68 C ATOM 96 N GLU A 49 14.584 7.055 20.540 1.00 12.50 N ATOM 97 CA GLU A 49 15.857 6.666 21.118 1.00 13.95 C ATOM 98 C GLU A 49 16.450 5.489 20.358 1.00 12.30 C ATOM 99 O GLU A 49 15.733 4.585 19.935 1.00 11.59 O ATOM 100 CB GLU A 49 15.686 6.279 22.597 1.00 16.78 C ATOM 101 CG GLU A 49 16.990 6.012 23.338 1.00 20.59 C ATOM 102 CD GLU A 49 17.997 7.177 23.242 1.00 24.04 C ATOM 103 OE1 GLU A 49 17.822 8.148 24.024 1.00 28.44 O ATOM 104 OE2 GLU A 49 18.952 7.136 22.396 1.00 25.14 O ATOM 105 H GLU A 49 13.737 7.052 21.144 1.00 0.00 H ATOM 106 N THR A 50 17.761 5.508 20.186 1.00 11.54 N ATOM 107 CA THR A 50 18.478 4.434 19.481 1.00 11.80 C ATOM 108 C THR A 50 19.572 3.757 20.304 1.00 12.50 C ATOM 109 O THR A 50 20.154 2.800 19.825 1.00 11.78 O ATOM 110 CB THR A 50 19.117 4.954 18.188 1.00 12.23 C ATOM 111 OG1 THR A 50 19.991 6.025 18.512 1.00 13.27 O ATOM 112 CG2 THR A 50 18.054 5.450 17.205 1.00 12.11 C ATOM 113 HG1 THR A 50 20.410 6.369 17.684 1.00 0.00 H ATOM 114 H THR A 50 18.305 6.311 20.562 1.00 0.00 H ATOM 115 N SER A 51 19.853 4.233 21.517 1.00 14.00 N ATOM 116 CA SER A 51 20.876 3.611 22.359 1.00 15.79 C ATOM 117 C SER A 51 20.334 3.345 23.752 1.00 17.24 C ATOM 118 O SER A 51 19.451 4.058 24.254 1.00 18.36 O ATOM 119 CB SER A 51 22.133 4.477 22.420 1.00 18.17 C ATOM 120 OG SER A 51 21.827 5.745 22.929 1.00 22.31 O ATOM 121 HG SER A 51 21.161 6.183 22.342 1.00 0.00 H ATOM 122 H SER A 51 19.335 5.062 21.872 1.00 0.00 H ATOM 123 N ASN A 52 20.821 2.270 24.355 1.00 18.97 N ATOM 124 CA ASN A 52 20.533 2.001 25.751 1.00 21.99 C ATOM 125 C ASN A 52 21.864 1.712 26.433 1.00 22.46 C ATOM 126 O ASN A 52 22.345 0.585 26.361 1.00 21.60 O ATOM 127 CB ASN A 52 19.582 0.814 25.878 1.00 23.22 C ATOM 128 CG ASN A 52 19.230 0.509 27.320 1.00 24.67 C ATOM 129 OD1 ASN A 52 19.660 1.216 28.256 1.00 26.19 O ATOM 130 ND2 ASN A 52 18.459 -0.542 27.515 1.00 23.62 N ATOM 131 HD22 ASN A 52 18.126 -1.100 26.703 1.00 0.00 H ATOM 132 HD21 ASN A 52 18.184 -0.813 28.481 1.00 0.00 H ATOM 133 H ASN A 52 21.419 1.609 23.819 1.00 0.00 H ATOM 134 N PRO A 53 22.482 2.740 27.054 1.00 25.31 N ATOM 135 CA PRO A 53 23.820 2.586 27.647 1.00 26.81 C ATOM 136 C PRO A 53 23.877 1.662 28.870 1.00 26.90 C ATOM 137 O PRO A 53 24.963 1.203 29.215 1.00 28.75 O ATOM 138 CB PRO A 53 24.213 4.020 28.029 1.00 27.81 C ATOM 139 CG PRO A 53 22.936 4.759 28.156 1.00 27.74 C ATOM 140 CD PRO A 53 21.936 4.094 27.252 1.00 26.36 C ATOM 141 N ASN A 54 22.732 1.398 29.505 1.00 25.56 N ATOM 142 CA ASN A 54 22.657 0.503 30.677 1.00 26.40 C ATOM 143 C ASN A 54 22.638 -0.995 30.338 1.00 24.01 C ATOM 144 O ASN A 54 22.906 -1.839 31.184 1.00 23.50 O ATOM 145 CB ASN A 54 21.426 0.852 31.512 1.00 28.14 C ATOM 146 CG ASN A 54 21.402 2.315 31.920 1.00 31.60 C ATOM 147 OD1 ASN A 54 22.430 2.865 32.322 1.00 35.68 O ATOM 148 ND2 ASN A 54 20.244 2.967 31.779 1.00 33.56 N ATOM 149 HD22 ASN A 54 19.402 2.463 31.436 1.00 0.00 H ATOM 150 HD21 ASN A 54 20.185 3.979 32.012 1.00 0.00 H ATOM 151 H ASN A 54 21.857 1.841 29.160 1.00 0.00 H ATOM 152 N LYS A 55 22.336 -1.313 29.082 1.00 22.08 N ATOM 153 CA LYS A 55 22.192 -2.676 28.641 1.00 20.34 C ATOM 154 C LYS A 55 23.551 -3.286 28.201 1.00 21.65 C ATOM 155 O LYS A 55 24.345 -2.612 27.534 1.00 20.67 O ATOM 156 CB LYS A 55 21.154 -2.681 27.502 1.00 19.58 C ATOM 157 CG LYS A 55 21.074 -3.973 26.763 1.00 17.86 C ATOM 158 CD LYS A 55 20.272 -3.872 25.478 1.00 16.26 C ATOM 159 CE LYS A 55 20.369 -5.206 24.786 1.00 15.39 C ATOM 160 NZ LYS A 55 21.710 -5.468 24.234 1.00 15.04 N ATOM 161 HZ1 LYS A 55 21.948 -4.731 23.539 1.00 0.00 H ATOM 162 HZ2 LYS A 55 22.409 -5.458 25.004 1.00 0.00 H ATOM 163 HZ3 LYS A 55 21.717 -6.399 23.770 1.00 0.00 H ATOM 164 H LYS A 55 22.199 -0.547 28.392 1.00 0.00 H ATOM 165 N PRO A 56 23.817 -4.564 28.546 1.00 22.76 N ATOM 166 CA PRO A 56 25.038 -5.207 28.059 1.00 23.61 C ATOM 167 C PRO A 56 25.027 -5.475 26.551 1.00 23.81 C ATOM 168 O PRO A 56 23.965 -5.630 25.940 1.00 23.38 O ATOM 169 CB PRO A 56 25.080 -6.529 28.848 1.00 23.56 C ATOM 170 CG PRO A 56 23.656 -6.829 29.135 1.00 23.86 C ATOM 171 CD PRO A 56 23.014 -5.494 29.376 1.00 23.95 C ATOM 172 N LYS A 57 26.213 -5.512 25.965 1.00 25.33 N ATOM 173 CA LYS A 57 26.384 -5.815 24.563 1.00 29.56 C ATOM 174 C LYS A 57 26.229 -7.321 24.331 1.00 32.11 C ATOM 175 O LYS A 57 27.191 -8.074 24.475 1.00 35.54 O ATOM 176 CB LYS A 57 27.755 -5.311 24.096 1.00 31.72 C ATOM 177 CG LYS A 57 28.034 -5.436 22.608 1.00 35.34 C ATOM 178 CD LYS A 57 29.353 -4.736 22.276 1.00 37.89 C ATOM 179 CE LYS A 57 29.538 -4.475 20.789 1.00 40.11 C ATOM 180 NZ LYS A 57 30.140 -5.645 20.092 1.00 42.29 N ATOM 181 HZ1 LYS A 57 31.071 -5.852 20.506 1.00 0.00 H ATOM 182 HZ2 LYS A 57 29.518 -6.471 20.204 1.00 0.00 H ATOM 183 HZ3 LYS A 57 30.249 -5.426 19.081 1.00 0.00 H ATOM 184 H LYS A 57 27.058 -5.315 26.538 1.00 0.00 H ATOM 185 N ARG A 58 25.006 -7.744 24.007 1.00 32.21 N ATOM 186 CA ARG A 58 24.684 -9.149 23.722 1.00 33.63 C ATOM 187 C ARG A 58 24.445 -9.331 22.207 1.00 33.41 C ATOM 188 O ARG A 58 23.342 -9.110 21.723 1.00 31.19 O ATOM 189 CB ARG A 58 23.424 -9.568 24.499 1.00 35.26 C ATOM 190 CG ARG A 58 23.531 -9.644 26.023 1.00 37.72 C ATOM 191 CD ARG A 58 23.673 -11.075 26.551 1.00 40.65 C ATOM 192 NE ARG A 58 22.791 -11.352 27.699 1.00 42.26 N ATOM 193 CZ ARG A 58 21.562 -11.883 27.646 1.00 41.50 C ATOM 194 NH1 ARG A 58 20.894 -12.055 28.778 1.00 39.55 N ATOM 195 NH2 ARG A 58 20.985 -12.259 26.494 1.00 43.25 N ATOM 196 HE ARG A 58 23.158 -11.112 28.642 1.00 0.00 H ATOM 197 HH12 ARG A 58 19.939 -12.465 28.761 1.00 0.00 H ATOM 198 HH11 ARG A 58 21.325 -11.780 29.683 1.00 0.00 H ATOM 199 HH22 ARG A 58 20.028 -12.667 26.500 1.00 0.00 H ATOM 200 HH21 ARG A 58 21.495 -12.142 25.595 1.00 0.00 H ATOM 201 H ARG A 58 24.240 -7.042 23.953 1.00 0.00 H ATOM 202 N GLN A 59 25.474 -9.734 21.470 1.00 33.74 N ATOM 203 CA GLN A 59 25.356 -9.993 20.028 1.00 34.24 C ATOM 204 C GLN A 59 24.783 -11.384 19.768 1.00 31.73 C ATOM 205 O GLN A 59 25.106 -12.336 20.488 1.00 34.52 O ATOM 206 CB GLN A 59 26.713 -9.866 19.352 1.00 37.04 C ATOM 207 CG GLN A 59 27.309 -8.475 19.480 1.00 40.58 C ATOM 208 CD GLN A 59 28.438 -8.230 18.501 1.00 43.74 C ATOM 209 OE1 GLN A 59 28.382 -7.305 17.690 1.00 47.19 O ATOM 210 NE2 GLN A 59 29.472 -9.063 18.566 1.00 47.47 N ATOM 211 HE22 GLN A 59 29.478 -9.831 19.267 1.00 0.00 H ATOM 212 HE21 GLN A 59 30.275 -8.947 17.916 1.00 0.00 H ATOM 213 H GLN A 59 26.397 -9.871 21.930 1.00 0.00 H ATOM 214 N THR A 60 23.909 -11.501 18.769 1.00 28.13 N ATOM 215 CA THR A 60 23.331 -12.801 18.399 1.00 26.33 C ATOM 216 C THR A 60 23.315 -12.965 16.892 1.00 26.34 C ATOM 217 O THR A 60 23.348 -11.988 16.145 1.00 24.12 O ATOM 218 CB THR A 60 21.895 -13.021 18.942 1.00 25.65 C ATOM 219 OG1 THR A 60 20.933 -12.304 18.140 1.00 22.98 O ATOM 220 CG2 THR A 60 21.767 -12.618 20.420 1.00 26.58 C ATOM 221 HG1 THR A 60 20.024 -12.457 18.502 1.00 0.00 H ATOM 222 H THR A 60 23.629 -10.652 18.238 1.00 0.00 H ATOM 223 N ASN A 61 23.299 -14.216 16.451 1.00 26.27 N ATOM 224 CA ASN A 61 23.278 -14.498 15.022 1.00 26.23 C ATOM 225 C ASN A 61 22.027 -13.920 14.361 1.00 21.93 C ATOM 226 O ASN A 61 22.109 -13.377 13.268 1.00 20.56 O ATOM 227 CB ASN A 61 23.435 -16.007 14.722 1.00 29.37 C ATOM 228 CG ASN A 61 22.373 -16.863 15.385 1.00 33.27 C ATOM 229 OD1 ASN A 61 21.668 -16.419 16.295 1.00 38.03 O ATOM 230 ND2 ASN A 61 22.267 -18.115 14.942 1.00 36.96 N ATOM 231 HD22 ASN A 61 22.882 -18.448 14.172 1.00 0.00 H ATOM 232 HD21 ASN A 61 21.569 -18.759 15.366 1.00 0.00 H ATOM 233 H ASN A 61 23.301 -15.002 17.132 1.00 0.00 H ATOM 234 N GLN A 62 20.899 -14.005 15.052 1.00 20.54 N ATOM 235 CA GLN A 62 19.641 -13.499 14.515 1.00 18.78 C ATOM 236 C GLN A 62 19.636 -11.991 14.393 1.00 17.49 C ATOM 237 O GLN A 62 19.163 -11.483 13.390 1.00 15.57 O ATOM 238 CB GLN A 62 18.462 -13.969 15.341 1.00 19.40 C ATOM 239 CG GLN A 62 18.272 -15.481 15.308 1.00 21.92 C ATOM 240 CD GLN A 62 16.974 -15.891 15.932 1.00 23.74 C ATOM 241 OE1 GLN A 62 16.421 -15.169 16.744 1.00 25.58 O ATOM 242 NE2 GLN A 62 16.469 -17.063 15.550 1.00 25.84 N ATOM 243 HE22 GLN A 62 16.976 -17.646 14.854 1.00 0.00 H ATOM 244 HE21 GLN A 62 15.567 -17.395 15.948 1.00 0.00 H ATOM 245 H GLN A 62 20.911 -14.441 15.996 1.00 0.00 H ATOM 246 N LEU A 63 20.156 -11.281 15.397 1.00 16.14 N ATOM 247 CA LEU A 63 20.309 -9.821 15.304 1.00 15.36 C ATOM 248 C LEU A 63 21.318 -9.420 14.222 1.00 15.55 C ATOM 249 O LEU A 63 21.070 -8.477 13.468 1.00 14.13 O ATOM 250 CB LEU A 63 20.689 -9.227 16.664 1.00 15.14 C ATOM 251 CG LEU A 63 19.553 -9.186 17.687 1.00 15.46 C ATOM 252 CD1 LEU A 63 20.107 -8.912 19.090 1.00 15.91 C ATOM 253 CD2 LEU A 63 18.477 -8.175 17.314 1.00 16.12 C ATOM 254 H LEU A 63 20.459 -11.770 16.263 1.00 0.00 H ATOM 255 N GLN A 64 22.438 -10.140 14.095 1.00 16.43 N ATOM 256 CA GLN A 64 23.364 -9.902 12.981 1.00 18.38 C ATOM 257 C GLN A 64 22.680 -10.065 11.614 1.00 16.32 C ATOM 258 O GLN A 64 22.883 -9.260 10.709 1.00 15.72 O ATOM 259 CB GLN A 64 24.582 -10.846 13.058 1.00 22.00 C ATOM 260 CG GLN A 64 25.722 -10.323 13.915 1.00 26.50 C ATOM 261 CD GLN A 64 26.653 -9.385 13.150 1.00 31.54 C ATOM 262 OE1 GLN A 64 27.745 -9.786 12.729 1.00 38.50 O ATOM 263 NE2 GLN A 64 26.231 -8.139 12.960 1.00 33.50 N ATOM 264 HE22 GLN A 64 25.306 -7.841 13.330 1.00 0.00 H ATOM 265 HE21 GLN A 64 26.826 -7.462 12.441 1.00 0.00 H ATOM 266 H GLN A 64 22.656 -10.878 14.795 1.00 0.00 H ATOM 267 N TYR A 65 21.868 -11.111 11.482 1.00 14.99 N ATOM 268 CA TYR A 65 21.132 -11.374 10.256 1.00 15.35 C ATOM 269 C TYR A 65 20.137 -10.268 9.985 1.00 13.72 C ATOM 270 O TYR A 65 20.027 -9.794 8.876 1.00 14.29 O ATOM 271 CB TYR A 65 20.413 -12.718 10.340 1.00 15.98 C ATOM 272 CG TYR A 65 19.535 -13.042 9.154 1.00 17.79 C ATOM 273 CD1 TYR A 65 20.059 -13.536 7.965 1.00 19.60 C ATOM 274 CD2 TYR A 65 18.171 -12.824 9.224 1.00 19.68 C ATOM 275 CE1 TYR A 65 19.225 -13.818 6.885 1.00 20.74 C ATOM 276 CE2 TYR A 65 17.332 -13.104 8.163 1.00 20.88 C ATOM 277 CZ TYR A 65 17.860 -13.580 6.994 1.00 20.89 C ATOM 278 OH TYR A 65 17.004 -13.835 5.947 1.00 24.75 O ATOM 279 HH TYR A 65 16.341 -14.516 6.223 1.00 0.00 H ATOM 280 H TYR A 65 21.756 -11.763 12.284 1.00 0.00 H ATOM 281 N LEU A 66 19.440 -9.836 11.024 1.00 12.89 N ATOM 282 CA LEU A 66 18.475 -8.725 10.884 1.00 12.40 C ATOM 283 C LEU A 66 19.137 -7.455 10.368 1.00 12.76 C ATOM 284 O LEU A 66 18.536 -6.765 9.544 1.00 12.23 O ATOM 285 CB LEU A 66 17.734 -8.465 12.209 1.00 12.34 C ATOM 286 CG LEU A 66 16.600 -9.471 12.468 1.00 12.20 C ATOM 287 CD1 LEU A 66 16.270 -9.524 13.947 1.00 13.04 C ATOM 288 CD2 LEU A 66 15.348 -9.155 11.657 1.00 12.83 C ATOM 289 H LEU A 66 19.573 -10.285 11.953 1.00 0.00 H ATOM 290 N LEU A 67 20.363 -7.166 10.806 1.00 12.61 N ATOM 291 CA LEU A 67 21.083 -5.976 10.337 1.00 13.55 C ATOM 292 C LEU A 67 21.683 -6.172 8.935 1.00 14.19 C ATOM 293 O LEU A 67 21.461 -5.379 8.026 1.00 14.78 O ATOM 294 CB LEU A 67 22.197 -5.606 11.307 1.00 14.23 C ATOM 295 CG LEU A 67 23.011 -4.356 10.947 1.00 14.45 C ATOM 296 CD1 LEU A 67 22.154 -3.107 10.782 1.00 14.91 C ATOM 297 CD2 LEU A 67 24.085 -4.145 12.003 1.00 15.58 C ATOM 298 H LEU A 67 20.819 -7.798 11.495 1.00 0.00 H ATOM 299 N ARG A 68 22.461 -7.231 8.796 1.00 15.67 N ATOM 300 CA ARG A 68 23.268 -7.439 7.597 1.00 17.46 C ATOM 301 C ARG A 68 22.494 -7.942 6.392 1.00 15.96 C ATOM 302 O ARG A 68 22.892 -7.641 5.259 1.00 17.19 O ATOM 303 CB ARG A 68 24.424 -8.394 7.909 1.00 20.20 C ATOM 304 CG ARG A 68 25.442 -7.808 8.889 1.00 23.97 C ATOM 305 CD ARG A 68 26.244 -8.895 9.594 1.00 28.19 C ATOM 306 NE ARG A 68 26.902 -9.790 8.641 1.00 32.02 N ATOM 307 CZ ARG A 68 27.541 -10.913 8.967 1.00 34.44 C ATOM 308 NH1 ARG A 68 28.083 -11.660 8.004 1.00 37.41 N ATOM 309 NH2 ARG A 68 27.645 -11.305 10.238 1.00 36.30 N ATOM 310 HE ARG A 68 26.868 -9.530 7.635 1.00 0.00 H ATOM 311 HH12 ARG A 68 28.584 -12.538 8.247 1.00 0.00 H ATOM 312 HH11 ARG A 68 28.005 -11.364 7.010 1.00 0.00 H ATOM 313 HH22 ARG A 68 28.148 -12.185 10.471 1.00 0.00 H ATOM 314 HH21 ARG A 68 27.223 -10.731 10.995 1.00 0.00 H ATOM 315 H ARG A 68 22.500 -7.935 9.561 1.00 0.00 H ATOM 316 N VAL A 69 21.404 -8.679 6.621 1.00 14.22 N ATOM 317 CA VAL A 69 20.563 -9.193 5.533 1.00 15.16 C ATOM 318 C VAL A 69 19.190 -8.517 5.497 1.00 15.30 C ATOM 319 O VAL A 69 18.816 -7.929 4.482 1.00 15.31 O ATOM 320 CB VAL A 69 20.423 -10.744 5.608 1.00 15.87 C ATOM 321 CG1 VAL A 69 19.451 -11.277 4.544 1.00 16.22 C ATOM 322 CG2 VAL A 69 21.797 -11.398 5.468 1.00 17.21 C ATOM 323 H VAL A 69 21.142 -8.896 7.604 1.00 0.00 H ATOM 324 N VAL A 70 18.425 -8.580 6.584 1.00 14.85 N ATOM 325 CA VAL A 70 17.010 -8.197 6.490 1.00 15.27 C ATOM 326 C VAL A 70 16.879 -6.699 6.283 1.00 15.02 C ATOM 327 O VAL A 70 16.297 -6.254 5.297 1.00 14.45 O ATOM 328 CB VAL A 70 16.172 -8.681 7.693 1.00 15.47 C ATOM 329 CG1 VAL A 70 14.696 -8.267 7.529 1.00 15.82 C ATOM 330 CG2 VAL A 70 16.322 -10.185 7.843 1.00 16.03 C ATOM 331 H VAL A 70 18.825 -8.897 7.490 1.00 0.00 H ATOM 332 N LEU A 71 17.494 -5.927 7.162 1.00 14.72 N ATOM 333 CA LEU A 71 17.437 -4.479 7.056 1.00 15.47 C ATOM 334 C LEU A 71 18.039 -3.990 5.734 1.00 15.40 C ATOM 335 O LEU A 71 17.457 -3.162 5.043 1.00 13.44 O ATOM 336 CB LEU A 71 18.149 -3.835 8.247 1.00 16.78 C ATOM 337 CG LEU A 71 18.157 -2.299 8.419 1.00 18.55 C ATOM 338 CD1 LEU A 71 19.073 -1.515 7.474 1.00 19.68 C ATOM 339 CD2 LEU A 71 16.743 -1.767 8.351 1.00 19.00 C ATOM 340 H LEU A 71 18.027 -6.363 7.942 1.00 0.00 H ATOM 341 N LYS A 72 19.212 -4.510 5.382 1.00 15.58 N ATOM 342 CA LYS A 72 19.878 -4.108 4.142 1.00 17.12 C ATOM 343 C LYS A 72 19.034 -4.397 2.899 1.00 16.45 C ATOM 344 O LYS A 72 18.922 -3.543 2.015 1.00 17.34 O ATOM 345 CB LYS A 72 21.266 -4.772 4.039 1.00 19.26 C ATOM 346 CG LYS A 72 22.280 -3.910 3.285 1.00 21.99 C ATOM 347 CD LYS A 72 23.731 -4.235 3.625 1.00 24.34 C ATOM 348 CE LYS A 72 24.207 -5.437 2.861 1.00 25.64 C ATOM 349 NZ LYS A 72 25.672 -5.614 3.017 1.00 25.42 N ATOM 350 HZ1 LYS A 72 26.162 -4.771 2.656 1.00 0.00 H ATOM 351 HZ2 LYS A 72 25.899 -5.744 4.024 1.00 0.00 H ATOM 352 HZ3 LYS A 72 25.978 -6.451 2.480 1.00 0.00 H ATOM 353 H LYS A 72 19.664 -5.215 5.999 1.00 0.00 H ATOM 354 N THR A 73 18.417 -5.575 2.857 1.00 15.85 N ATOM 355 CA THR A 73 17.527 -5.963 1.752 1.00 16.59 C ATOM 356 C THR A 73 16.287 -5.067 1.647 1.00 15.99 C ATOM 357 O THR A 73 15.897 -4.642 0.557 1.00 15.91 O ATOM 358 CB THR A 73 17.117 -7.435 1.891 1.00 17.56 C ATOM 359 OG1 THR A 73 18.307 -8.248 1.886 1.00 19.41 O ATOM 360 CG2 THR A 73 16.196 -7.881 0.747 1.00 18.58 C ATOM 361 HG1 THR A 73 18.887 -7.987 2.645 1.00 0.00 H ATOM 362 H THR A 73 18.570 -6.247 3.635 1.00 0.00 H ATOM 363 N LEU A 74 15.670 -4.779 2.778 1.00 14.69 N ATOM 364 CA LEU A 74 14.511 -3.884 2.782 1.00 14.47 C ATOM 365 C LEU A 74 14.932 -2.473 2.387 1.00 12.93 C ATOM 366 O LEU A 74 14.241 -1.813 1.620 1.00 11.35 O ATOM 367 CB LEU A 74 13.851 -3.881 4.170 1.00 15.39 C ATOM 368 CG LEU A 74 12.729 -4.891 4.454 1.00 17.06 C ATOM 369 CD1 LEU A 74 11.485 -4.434 3.744 1.00 18.31 C ATOM 370 CD2 LEU A 74 13.029 -6.328 4.071 1.00 17.97 C ATOM 371 H LEU A 74 16.009 -5.190 3.671 1.00 0.00 H ATOM 372 N TRP A 75 16.075 -2.023 2.889 1.00 11.25 N ATOM 373 CA TRP A 75 16.554 -0.675 2.603 1.00 10.65 C ATOM 374 C TRP A 75 16.696 -0.395 1.099 1.00 10.68 C ATOM 375 O TRP A 75 16.389 0.706 0.625 1.00 10.54 O ATOM 376 CB TRP A 75 17.899 -0.387 3.290 1.00 10.82 C ATOM 377 CG TRP A 75 18.296 1.051 3.286 1.00 10.64 C ATOM 378 CD1 TRP A 75 18.875 1.758 2.286 1.00 9.93 C ATOM 379 CD2 TRP A 75 18.142 1.967 4.359 1.00 10.08 C ATOM 380 NE1 TRP A 75 19.097 3.052 2.650 1.00 10.09 N ATOM 381 CE2 TRP A 75 18.641 3.215 3.933 1.00 10.06 C ATOM 382 CE3 TRP A 75 17.619 1.845 5.665 1.00 10.82 C ATOM 383 CZ2 TRP A 75 18.628 4.336 4.748 1.00 10.77 C ATOM 384 CZ3 TRP A 75 17.619 2.981 6.474 1.00 10.72 C ATOM 385 CH2 TRP A 75 18.104 4.196 6.008 1.00 11.27 C ATOM 386 HE1 TRP A 75 19.535 3.787 2.059 1.00 0.00 H ATOM 387 H TRP A 75 16.642 -2.645 3.500 1.00 0.00 H ATOM 388 N LYS A 76 17.195 -1.399 0.369 1.00 11.16 N ATOM 389 CA LYS A 76 17.484 -1.242 -1.051 1.00 11.49 C ATOM 390 C LYS A 76 16.301 -1.522 -1.964 1.00 11.87 C ATOM 391 O LYS A 76 16.395 -1.311 -3.177 1.00 12.24 O ATOM 392 CB LYS A 76 18.698 -2.099 -1.439 1.00 11.51 C ATOM 393 CG LYS A 76 19.972 -1.668 -0.722 1.00 11.86 C ATOM 394 CD LYS A 76 21.130 -2.507 -1.178 1.00 12.04 C ATOM 395 CE LYS A 76 22.366 -2.175 -0.361 1.00 12.21 C ATOM 396 NZ LYS A 76 23.559 -2.881 -0.920 1.00 12.94 N ATOM 397 HZ1 LYS A 76 23.397 -3.908 -0.892 1.00 0.00 H ATOM 398 HZ2 LYS A 76 23.709 -2.579 -1.904 1.00 0.00 H ATOM 399 HZ3 LYS A 76 24.398 -2.645 -0.352 1.00 0.00 H ATOM 400 H LYS A 76 17.381 -2.314 0.826 1.00 0.00 H ATOM 401 N HIS A 77 15.171 -1.985 -1.405 1.00 11.73 N ATOM 402 CA HIS A 77 13.965 -2.201 -2.192 1.00 11.40 C ATOM 403 C HIS A 77 13.492 -0.881 -2.799 1.00 11.28 C ATOM 404 O HIS A 77 13.611 0.190 -2.190 1.00 11.05 O ATOM 405 CB HIS A 77 12.874 -2.815 -1.299 1.00 11.61 C ATOM 406 CG HIS A 77 11.683 -3.328 -2.047 1.00 12.12 C ATOM 407 ND1 HIS A 77 10.677 -2.498 -2.458 1.00 12.33 N ATOM 408 CD2 HIS A 77 11.306 -4.576 -2.409 1.00 12.95 C ATOM 409 CE1 HIS A 77 9.737 -3.197 -3.060 1.00 12.16 C ATOM 410 NE2 HIS A 77 10.090 -4.464 -3.039 1.00 13.56 N ATOM 411 H HIS A 77 15.157 -2.194 -0.386 1.00 0.00 H ATOM 412 N GLN A 78 12.951 -0.963 -4.028 1.00 12.69 N ATOM 413 CA GLN A 78 12.451 0.203 -4.770 1.00 13.80 C ATOM 414 C GLN A 78 11.449 1.106 -3.983 1.00 11.80 C ATOM 415 O GLN A 78 11.419 2.316 -4.154 1.00 11.62 O ATOM 416 CB GLN A 78 11.822 -0.223 -6.121 1.00 16.36 C ATOM 417 CG GLN A 78 10.617 -1.158 -5.984 1.00 19.53 C ATOM 418 CD GLN A 78 9.997 -1.623 -7.286 1.00 25.02 C ATOM 419 OE1 GLN A 78 9.906 -0.865 -8.262 1.00 30.25 O ATOM 420 NE2 GLN A 78 9.530 -2.878 -7.295 1.00 28.46 N ATOM 421 HE22 GLN A 78 9.630 -3.476 -6.450 1.00 0.00 H ATOM 422 HE21 GLN A 78 9.067 -3.255 -8.147 1.00 0.00 H ATOM 423 H GLN A 78 12.883 -1.899 -4.476 1.00 0.00 H ATOM 424 N PHE A 79 10.666 0.470 -3.118 1.00 10.98 N ATOM 425 CA PHE A 79 9.654 1.158 -2.309 1.00 11.01 C ATOM 426 C PHE A 79 10.105 1.593 -0.923 1.00 9.91 C ATOM 427 O PHE A 79 9.286 2.089 -0.144 1.00 9.41 O ATOM 428 CB PHE A 79 8.414 0.249 -2.180 1.00 11.05 C ATOM 429 CG PHE A 79 7.660 -0.010 -3.484 1.00 12.04 C ATOM 430 CD1 PHE A 79 7.831 0.784 -4.615 1.00 12.96 C ATOM 431 CD2 PHE A 79 6.722 -1.049 -3.535 1.00 13.17 C ATOM 432 CE1 PHE A 79 7.095 0.553 -5.773 1.00 14.75 C ATOM 433 CE2 PHE A 79 5.985 -1.286 -4.707 1.00 13.55 C ATOM 434 CZ PHE A 79 6.185 -0.487 -5.812 1.00 14.32 C ATOM 435 H PHE A 79 10.775 -0.559 -3.010 1.00 0.00 H ATOM 436 N ALA A 80 11.394 1.453 -0.590 1.00 9.49 N ATOM 437 CA ALA A 80 11.855 1.696 0.790 1.00 8.56 C ATOM 438 C ALA A 80 11.972 3.142 1.186 1.00 8.63 C ATOM 439 O ALA A 80 11.839 3.462 2.377 1.00 8.14 O ATOM 440 CB ALA A 80 13.180 1.011 1.045 1.00 9.19 C ATOM 441 H ALA A 80 12.082 1.168 -1.316 1.00 0.00 H ATOM 442 N TRP A 81 12.278 4.043 0.256 1.00 8.83 N ATOM 443 CA TRP A 81 12.686 5.382 0.622 1.00 9.20 C ATOM 444 C TRP A 81 11.741 6.146 1.550 1.00 8.61 C ATOM 445 O TRP A 81 12.224 6.825 2.466 1.00 8.92 O ATOM 446 CB TRP A 81 13.138 6.221 -0.607 1.00 9.71 C ATOM 447 CG TRP A 81 12.085 6.541 -1.566 1.00 10.48 C ATOM 448 CD1 TRP A 81 11.755 5.841 -2.693 1.00 10.84 C ATOM 449 CD2 TRP A 81 11.197 7.628 -1.488 1.00 11.05 C ATOM 450 NE1 TRP A 81 10.701 6.444 -3.319 1.00 12.14 N ATOM 451 CE2 TRP A 81 10.334 7.546 -2.601 1.00 12.35 C ATOM 452 CE3 TRP A 81 11.029 8.676 -0.580 1.00 11.62 C ATOM 453 CZ2 TRP A 81 9.351 8.487 -2.839 1.00 11.64 C ATOM 454 CZ3 TRP A 81 10.028 9.582 -0.795 1.00 12.04 C ATOM 455 CH2 TRP A 81 9.208 9.499 -1.921 1.00 12.15 C ATOM 456 HE1 TRP A 81 10.252 6.117 -4.198 1.00 0.00 H ATOM 457 H TRP A 81 12.223 3.781 -0.749 1.00 0.00 H ATOM 458 N PRO A 82 10.412 6.014 1.381 1.00 7.56 N ATOM 459 CA PRO A 82 9.567 6.790 2.313 1.00 7.52 C ATOM 460 C PRO A 82 9.652 6.307 3.764 1.00 7.36 C ATOM 461 O PRO A 82 9.210 7.014 4.663 1.00 8.17 O ATOM 462 CB PRO A 82 8.140 6.558 1.777 1.00 7.44 C ATOM 463 CG PRO A 82 8.329 6.181 0.329 1.00 7.42 C ATOM 464 CD PRO A 82 9.584 5.333 0.355 1.00 7.46 C ATOM 465 N PHE A 83 10.198 5.123 3.952 1.00 7.08 N ATOM 466 CA PHE A 83 10.282 4.477 5.272 1.00 6.82 C ATOM 467 C PHE A 83 11.677 4.568 5.893 1.00 6.90 C ATOM 468 O PHE A 83 11.922 4.004 6.976 1.00 6.88 O ATOM 469 CB PHE A 83 9.912 3.008 5.123 1.00 6.82 C ATOM 470 CG PHE A 83 8.547 2.803 4.546 1.00 6.88 C ATOM 471 CD1 PHE A 83 8.363 2.760 3.147 1.00 7.22 C ATOM 472 CD2 PHE A 83 7.428 2.719 5.359 1.00 7.07 C ATOM 473 CE1 PHE A 83 7.115 2.586 2.588 1.00 7.25 C ATOM 474 CE2 PHE A 83 6.166 2.565 4.789 1.00 7.31 C ATOM 475 CZ PHE A 83 5.997 2.524 3.415 1.00 7.36 C ATOM 476 H PHE A 83 10.588 4.621 3.129 1.00 0.00 H ATOM 477 N GLN A 84 12.608 5.239 5.221 1.00 6.89 N ATOM 478 CA GLN A 84 14.011 5.273 5.661 1.00 7.50 C ATOM 479 C GLN A 84 14.348 6.262 6.763 1.00 7.82 C ATOM 480 O GLN A 84 15.441 6.204 7.341 1.00 8.89 O ATOM 481 CB GLN A 84 14.896 5.537 4.448 1.00 7.89 C ATOM 482 CG GLN A 84 15.079 4.309 3.572 1.00 8.28 C ATOM 483 CD GLN A 84 15.844 4.582 2.300 1.00 8.94 C ATOM 484 OE1 GLN A 84 16.188 5.714 2.016 1.00 10.58 O ATOM 485 NE2 GLN A 84 16.038 3.554 1.517 1.00 9.86 N ATOM 486 HE22 GLN A 84 15.722 2.608 1.813 1.00 0.00 H ATOM 487 HE21 GLN A 84 16.508 3.682 0.598 1.00 0.00 H ATOM 488 H GLN A 84 12.336 5.754 4.360 1.00 0.00 H ATOM 489 N GLN A 85 13.469 7.197 7.035 1.00 8.20 N ATOM 490 CA GLN A 85 13.728 8.238 8.008 1.00 8.63 C ATOM 491 C GLN A 85 12.429 8.567 8.725 1.00 7.78 C ATOM 492 O GLN A 85 11.359 8.275 8.191 1.00 7.08 O ATOM 493 CB GLN A 85 14.311 9.491 7.381 1.00 10.28 C ATOM 494 CG GLN A 85 13.482 10.077 6.281 1.00 11.45 C ATOM 495 CD GLN A 85 13.589 9.254 5.012 1.00 13.54 C ATOM 496 OE1 GLN A 85 14.713 8.958 4.559 1.00 16.86 O ATOM 497 NE2 GLN A 85 12.433 8.827 4.448 1.00 14.79 N ATOM 498 HE22 GLN A 85 11.520 9.101 4.863 1.00 0.00 H ATOM 499 HE21 GLN A 85 12.459 8.225 3.600 1.00 0.00 H ATOM 500 H GLN A 85 12.557 7.191 6.536 1.00 0.00 H ATOM 501 N PRO A 86 12.515 9.215 9.902 1.00 7.44 N ATOM 502 CA PRO A 86 11.296 9.607 10.583 1.00 7.55 C ATOM 503 C PRO A 86 10.426 10.491 9.699 1.00 7.60 C ATOM 504 O PRO A 86 10.928 11.328 8.955 1.00 8.22 O ATOM 505 CB PRO A 86 11.815 10.380 11.777 1.00 7.79 C ATOM 506 CG PRO A 86 13.164 9.811 12.040 1.00 7.76 C ATOM 507 CD PRO A 86 13.717 9.572 10.689 1.00 7.99 C ATOM 508 N VAL A 87 9.117 10.327 9.812 1.00 7.62 N ATOM 509 CA VAL A 87 8.205 11.198 9.112 1.00 8.06 C ATOM 510 C VAL A 87 8.404 12.662 9.547 1.00 8.07 C ATOM 511 O VAL A 87 8.345 12.972 10.741 1.00 8.05 O ATOM 512 CB VAL A 87 6.748 10.803 9.388 1.00 8.32 C ATOM 513 CG1 VAL A 87 5.795 11.914 8.942 1.00 8.58 C ATOM 514 CG2 VAL A 87 6.417 9.469 8.709 1.00 8.80 C ATOM 515 H VAL A 87 8.743 9.563 10.411 1.00 0.00 H ATOM 516 N ASP A 88 8.624 13.536 8.577 1.00 8.45 N ATOM 517 CA ASP A 88 8.669 14.975 8.802 1.00 8.95 C ATOM 518 C ASP A 88 7.286 15.506 8.455 1.00 9.04 C ATOM 519 O ASP A 88 6.944 15.695 7.288 1.00 8.79 O ATOM 520 CB ASP A 88 9.766 15.607 7.959 1.00 9.72 C ATOM 521 CG ASP A 88 9.942 17.085 8.239 1.00 10.33 C ATOM 522 OD1 ASP A 88 8.975 17.767 8.659 1.00 10.63 O ATOM 523 OD2 ASP A 88 11.077 17.573 8.014 1.00 12.39 O ATOM 524 H ASP A 88 8.771 13.179 7.611 1.00 0.00 H ATOM 525 N ALA A 89 6.448 15.655 9.472 1.00 8.91 N ATOM 526 CA ALA A 89 5.059 16.054 9.304 1.00 9.30 C ATOM 527 C ALA A 89 4.942 17.420 8.646 1.00 9.41 C ATOM 528 O ALA A 89 3.985 17.692 7.939 1.00 9.88 O ATOM 529 CB ALA A 89 4.389 16.099 10.658 1.00 9.49 C ATOM 530 H ALA A 89 6.800 15.478 10.435 1.00 0.00 H ATOM 531 N VAL A 90 5.914 18.281 8.905 1.00 10.26 N ATOM 532 CA VAL A 90 5.906 19.618 8.345 1.00 10.70 C ATOM 533 C VAL A 90 6.263 19.602 6.855 1.00 10.21 C ATOM 534 O VAL A 90 5.505 20.044 6.021 1.00 10.21 O ATOM 535 CB VAL A 90 6.856 20.528 9.139 1.00 12.17 C ATOM 536 CG1 VAL A 90 6.876 21.932 8.526 1.00 12.96 C ATOM 537 CG2 VAL A 90 6.481 20.568 10.627 1.00 12.54 C ATOM 538 H VAL A 90 6.699 17.992 9.523 1.00 0.00 H ATOM 539 N LYS A 91 7.419 19.044 6.513 1.00 9.90 N ATOM 540 CA LYS A 91 7.881 19.052 5.118 1.00 11.04 C ATOM 541 C LYS A 91 7.062 18.141 4.215 1.00 10.68 C ATOM 542 O LYS A 91 6.917 18.400 3.023 1.00 11.67 O ATOM 543 CB LYS A 91 9.380 18.728 5.033 1.00 12.50 C ATOM 544 CG LYS A 91 10.223 19.831 5.645 1.00 14.58 C ATOM 545 CD LYS A 91 11.708 19.699 5.384 1.00 16.12 C ATOM 546 CE LYS A 91 12.404 20.884 6.035 1.00 18.51 C ATOM 547 NZ LYS A 91 13.841 21.021 5.711 1.00 20.89 N ATOM 548 HZ1 LYS A 91 14.348 20.169 6.023 1.00 0.00 H ATOM 549 HZ2 LYS A 91 13.954 21.136 4.684 1.00 0.00 H ATOM 550 HZ3 LYS A 91 14.227 21.854 6.199 1.00 0.00 H ATOM 551 H LYS A 91 8.006 18.594 7.244 1.00 0.00 H ATOM 552 N LEU A 92 6.500 17.071 4.760 1.00 9.92 N ATOM 553 CA LEU A 92 5.608 16.211 3.993 1.00 9.82 C ATOM 554 C LEU A 92 4.147 16.673 3.970 1.00 9.34 C ATOM 555 O LEU A 92 3.302 15.998 3.366 1.00 10.01 O ATOM 556 CB LEU A 92 5.655 14.752 4.511 1.00 9.65 C ATOM 557 CG LEU A 92 7.003 14.044 4.425 1.00 10.06 C ATOM 558 CD1 LEU A 92 6.859 12.652 5.005 1.00 10.35 C ATOM 559 CD2 LEU A 92 7.475 13.975 2.977 1.00 10.64 C ATOM 560 H LEU A 92 6.700 16.841 5.754 1.00 0.00 H ATOM 561 N ASN A 93 3.824 17.761 4.667 1.00 9.60 N ATOM 562 CA ASN A 93 2.443 18.285 4.681 1.00 9.98 C ATOM 563 C ASN A 93 1.460 17.230 5.207 1.00 9.93 C ATOM 564 O ASN A 93 0.396 16.965 4.632 1.00 10.79 O ATOM 565 CB ASN A 93 2.025 18.836 3.298 1.00 10.34 C ATOM 566 CG ASN A 93 2.681 20.184 2.979 1.00 11.11 C ATOM 567 OD1 ASN A 93 3.294 20.790 3.847 1.00 11.69 O ATOM 568 ND2 ASN A 93 2.575 20.634 1.722 1.00 11.80 N ATOM 569 HD22 ASN A 93 2.044 20.085 1.016 1.00 0.00 H ATOM 570 HD21 ASN A 93 3.024 21.532 1.452 1.00 0.00 H ATOM 571 H ASN A 93 4.560 18.252 5.213 1.00 0.00 H ATOM 572 N LEU A 94 1.838 16.667 6.346 1.00 10.16 N ATOM 573 CA LEU A 94 1.008 15.712 7.078 1.00 10.31 C ATOM 574 C LEU A 94 0.823 16.271 8.485 1.00 11.13 C ATOM 575 O LEU A 94 1.341 15.741 9.471 1.00 11.00 O ATOM 576 CB LEU A 94 1.707 14.352 7.121 1.00 10.00 C ATOM 577 CG LEU A 94 2.087 13.725 5.786 1.00 9.87 C ATOM 578 CD1 LEU A 94 2.830 12.408 6.050 1.00 10.04 C ATOM 579 CD2 LEU A 94 0.856 13.515 4.907 1.00 10.36 C ATOM 580 H LEU A 94 2.769 16.916 6.737 1.00 0.00 H ATOM 581 N PRO A 95 0.077 17.385 8.599 1.00 12.43 N ATOM 582 CA PRO A 95 0.095 18.153 9.847 1.00 13.47 C ATOM 583 C PRO A 95 -0.506 17.482 11.086 1.00 13.78 C ATOM 584 O PRO A 95 -0.201 17.886 12.199 1.00 16.82 O ATOM 585 CB PRO A 95 -0.688 19.430 9.484 1.00 13.89 C ATOM 586 CG PRO A 95 -1.449 19.098 8.263 1.00 14.30 C ATOM 587 CD PRO A 95 -0.698 18.041 7.533 1.00 13.31 C ATOM 588 N ASP A 96 -1.295 16.427 10.900 1.00 12.93 N ATOM 589 CA ASP A 96 -1.867 15.642 11.998 1.00 13.25 C ATOM 590 C ASP A 96 -1.176 14.288 12.207 1.00 11.02 C ATOM 591 O ASP A 96 -1.658 13.465 12.981 1.00 11.20 O ATOM 592 CB ASP A 96 -3.335 15.386 11.708 1.00 14.42 C ATOM 593 CG ASP A 96 -3.563 14.661 10.378 1.00 15.71 C ATOM 594 OD1 ASP A 96 -2.645 14.606 9.495 1.00 16.07 O ATOM 595 OD2 ASP A 96 -4.698 14.176 10.192 1.00 20.74 O ATOM 596 H ASP A 96 -1.518 16.144 9.924 1.00 0.00 H ATOM 597 N TYR A 97 -0.039 14.072 11.565 1.00 9.06 N ATOM 598 CA TYR A 97 0.607 12.757 11.625 1.00 8.41 C ATOM 599 C TYR A 97 0.860 12.310 13.063 1.00 8.55 C ATOM 600 O TYR A 97 0.514 11.170 13.449 1.00 8.04 O ATOM 601 CB TYR A 97 1.895 12.722 10.820 1.00 7.65 C ATOM 602 CG TYR A 97 2.460 11.342 10.760 1.00 7.24 C ATOM 603 CD1 TYR A 97 2.023 10.425 9.805 1.00 6.82 C ATOM 604 CD2 TYR A 97 3.397 10.922 11.668 1.00 7.00 C ATOM 605 CE1 TYR A 97 2.520 9.120 9.753 1.00 6.78 C ATOM 606 CE2 TYR A 97 3.901 9.631 11.637 1.00 6.99 C ATOM 607 CZ TYR A 97 3.458 8.725 10.678 1.00 6.88 C ATOM 608 OH TYR A 97 3.933 7.423 10.649 1.00 7.62 O ATOM 609 HH TYR A 97 3.505 6.933 9.902 1.00 0.00 H ATOM 610 H TYR A 97 0.398 14.839 11.015 1.00 0.00 H ATOM 611 N TYR A 98 1.467 13.181 13.861 1.00 9.08 N ATOM 612 CA TYR A 98 1.828 12.832 15.237 1.00 9.64 C ATOM 613 C TYR A 98 0.678 12.998 16.230 1.00 10.95 C ATOM 614 O TYR A 98 0.799 12.562 17.380 1.00 12.90 O ATOM 615 CB TYR A 98 3.102 13.572 15.636 1.00 9.46 C ATOM 616 CG TYR A 98 4.317 13.056 14.883 1.00 9.03 C ATOM 617 CD1 TYR A 98 4.855 11.814 15.156 1.00 8.81 C ATOM 618 CD2 TYR A 98 4.918 13.789 13.867 1.00 8.83 C ATOM 619 CE1 TYR A 98 5.956 11.348 14.486 1.00 8.54 C ATOM 620 CE2 TYR A 98 6.026 13.318 13.152 1.00 8.70 C ATOM 621 CZ TYR A 98 6.566 12.085 13.466 1.00 8.72 C ATOM 622 OH TYR A 98 7.648 11.576 12.802 1.00 9.69 O ATOM 623 HH TYR A 98 7.430 11.484 11.841 1.00 0.00 H ATOM 624 H TYR A 98 1.691 14.131 13.501 1.00 0.00 H ATOM 625 N LYS A 99 -0.451 13.509 15.786 1.00 12.08 N ATOM 626 CA LYS A 99 -1.686 13.372 16.559 1.00 14.56 C ATOM 627 C LYS A 99 -2.162 11.921 16.517 1.00 14.09 C ATOM 628 O LYS A 99 -2.654 11.364 17.511 1.00 17.06 O ATOM 629 CB LYS A 99 -2.767 14.281 16.005 1.00 16.89 C ATOM 630 CG LYS A 99 -4.049 14.260 16.804 1.00 20.17 C ATOM 631 CD LYS A 99 -4.859 15.505 16.500 1.00 22.90 C ATOM 632 CE LYS A 99 -6.267 15.437 17.064 1.00 25.24 C ATOM 633 NZ LYS A 99 -7.098 16.574 16.569 1.00 26.94 N ATOM 634 HZ1 LYS A 99 -6.664 17.472 16.862 1.00 0.00 H ATOM 635 HZ2 LYS A 99 -7.152 16.536 15.531 1.00 0.00 H ATOM 636 HZ3 LYS A 99 -8.055 16.503 16.970 1.00 0.00 H ATOM 637 H LYS A 99 -0.465 14.015 14.877 1.00 0.00 H ATOM 638 N ILE A 100 -2.041 11.299 15.346 1.00 11.60 N ATOM 639 CA ILE A 100 -2.582 9.958 15.100 1.00 11.29 C ATOM 640 C ILE A 100 -1.586 8.861 15.437 1.00 10.81 C ATOM 641 O ILE A 100 -1.969 7.814 15.963 1.00 11.65 O ATOM 642 CB ILE A 100 -3.009 9.866 13.613 1.00 11.89 C ATOM 643 CG1 ILE A 100 -4.134 10.894 13.326 1.00 13.02 C ATOM 644 CG2 ILE A 100 -3.389 8.432 13.221 1.00 11.57 C ATOM 645 CD1 ILE A 100 -4.401 11.205 11.885 1.00 14.54 C ATOM 646 H ILE A 100 -1.542 11.784 14.573 1.00 0.00 H ATOM 647 N ILE A 101 -0.324 9.071 15.110 1.00 9.09 N ATOM 648 CA ILE A 101 0.707 8.064 15.331 1.00 8.72 C ATOM 649 C ILE A 101 1.470 8.375 16.618 1.00 9.93 C ATOM 650 O ILE A 101 2.272 9.301 16.675 1.00 10.44 O ATOM 651 CB ILE A 101 1.642 7.998 14.101 1.00 7.72 C ATOM 652 CG1 ILE A 101 0.833 7.603 12.853 1.00 7.93 C ATOM 653 CG2 ILE A 101 2.835 7.059 14.327 1.00 7.66 C ATOM 654 CD1 ILE A 101 0.150 6.254 12.941 1.00 7.69 C ATOM 655 H ILE A 101 -0.058 9.981 14.682 1.00 0.00 H ATOM 656 N LYS A 102 1.223 7.537 17.625 1.00 11.38 N ATOM 657 CA LYS A 102 1.783 7.777 18.948 1.00 13.06 C ATOM 658 C LYS A 102 3.143 7.146 19.121 1.00 11.93 C ATOM 659 O LYS A 102 3.928 7.596 19.943 1.00 12.27 O ATOM 660 CB LYS A 102 0.832 7.246 20.035 1.00 16.15 C ATOM 661 CG LYS A 102 -0.608 7.754 19.959 1.00 19.99 C ATOM 662 CD LYS A 102 -0.773 9.242 20.137 1.00 23.73 C ATOM 663 CE LYS A 102 -2.264 9.573 20.139 1.00 27.50 C ATOM 664 NZ LYS A 102 -2.592 11.010 20.400 1.00 30.09 N ATOM 665 HZ1 LYS A 102 -2.224 11.284 21.333 1.00 0.00 H ATOM 666 HZ2 LYS A 102 -2.155 11.603 19.666 1.00 0.00 H ATOM 667 HZ3 LYS A 102 -3.624 11.138 20.382 1.00 0.00 H ATOM 668 H LYS A 102 0.624 6.702 17.464 1.00 0.00 H ATOM 669 N THR A 103 3.418 6.095 18.348 1.00 10.62 N ATOM 670 CA THR A 103 4.691 5.376 18.420 1.00 10.96 C ATOM 671 C THR A 103 5.332 5.356 17.035 1.00 9.89 C ATOM 672 O THR A 103 5.265 4.362 16.335 1.00 8.83 O ATOM 673 CB THR A 103 4.489 3.932 18.924 1.00 12.46 C ATOM 674 OG1 THR A 103 3.788 3.971 20.176 1.00 15.21 O ATOM 675 CG2 THR A 103 5.821 3.246 19.134 1.00 12.74 C ATOM 676 HG1 THR A 103 3.654 3.048 20.507 1.00 0.00 H ATOM 677 H THR A 103 2.700 5.774 17.668 1.00 0.00 H ATOM 678 N PRO A 104 5.964 6.455 16.623 1.00 9.07 N ATOM 679 CA PRO A 104 6.566 6.475 15.299 1.00 8.73 C ATOM 680 C PRO A 104 7.709 5.504 15.174 1.00 7.71 C ATOM 681 O PRO A 104 8.392 5.193 16.147 1.00 7.87 O ATOM 682 CB PRO A 104 7.028 7.903 15.123 1.00 9.58 C ATOM 683 CG PRO A 104 6.974 8.505 16.445 1.00 10.29 C ATOM 684 CD PRO A 104 6.173 7.709 17.361 1.00 9.52 C ATOM 685 N MET A 105 7.907 5.001 13.967 1.00 6.89 N ATOM 686 CA MET A 105 9.038 4.130 13.713 1.00 6.95 C ATOM 687 C MET A 105 9.422 4.190 12.255 1.00 7.03 C ATOM 688 O MET A 105 8.564 4.378 11.395 1.00 7.48 O ATOM 689 CB MET A 105 8.720 2.687 14.133 1.00 7.16 C ATOM 690 CG MET A 105 9.904 1.717 14.098 1.00 7.22 C ATOM 691 SD MET A 105 11.372 2.275 14.984 1.00 7.47 S ATOM 692 CE MET A 105 10.738 2.563 16.618 1.00 7.93 C ATOM 693 H MET A 105 7.248 5.231 13.196 1.00 0.00 H ATOM 694 N ASP A 106 10.713 4.006 11.969 1.00 6.48 N ATOM 695 CA ASP A 106 11.255 4.097 10.603 1.00 6.88 C ATOM 696 C ASP A 106 12.492 3.216 10.527 1.00 6.95 C ATOM 697 O ASP A 106 13.047 2.821 11.553 1.00 6.13 O ATOM 698 CB ASP A 106 11.634 5.551 10.284 1.00 7.02 C ATOM 699 CG ASP A 106 12.733 6.042 11.153 1.00 7.09 C ATOM 700 OD1 ASP A 106 12.459 6.420 12.312 1.00 7.33 O ATOM 701 OD2 ASP A 106 13.886 5.971 10.711 1.00 7.81 O ATOM 702 H ASP A 106 11.367 3.788 12.748 1.00 0.00 H ATOM 703 N MET A 107 12.932 2.908 9.301 1.00 7.55 N ATOM 704 CA MET A 107 14.054 1.992 9.118 1.00 8.25 C ATOM 705 C MET A 107 15.377 2.581 9.545 1.00 7.50 C ATOM 706 O MET A 107 16.247 1.815 9.918 1.00 7.94 O ATOM 707 CB MET A 107 14.152 1.495 7.693 1.00 10.08 C ATOM 708 CG MET A 107 12.986 0.580 7.382 1.00 10.99 C ATOM 709 SD MET A 107 13.282 -0.707 6.162 1.00 17.63 S ATOM 710 CE MET A 107 13.528 0.493 4.961 1.00 10.86 C ATOM 711 H MET A 107 12.469 3.326 8.469 1.00 0.00 H ATOM 712 N GLY A 108 15.534 3.901 9.506 1.00 7.22 N ATOM 713 CA GLY A 108 16.759 4.491 9.990 1.00 6.92 C ATOM 714 C GLY A 108 16.940 4.290 11.485 1.00 6.82 C ATOM 715 O GLY A 108 18.030 3.981 11.963 1.00 7.31 O ATOM 716 H GLY A 108 14.777 4.506 9.128 1.00 0.00 H ATOM 717 N THR A 109 15.833 4.436 12.218 1.00 6.52 N ATOM 718 CA THR A 109 15.792 4.146 13.642 1.00 6.30 C ATOM 719 C THR A 109 16.076 2.686 13.951 1.00 6.25 C ATOM 720 O THR A 109 16.900 2.392 14.814 1.00 5.66 O ATOM 721 CB THR A 109 14.444 4.588 14.256 1.00 6.58 C ATOM 722 OG1 THR A 109 14.352 6.014 14.150 1.00 6.69 O ATOM 723 CG2 THR A 109 14.357 4.199 15.723 1.00 6.69 C ATOM 724 HG1 THR A 109 15.104 6.430 14.642 1.00 0.00 H ATOM 725 H THR A 109 14.966 4.770 11.751 1.00 0.00 H ATOM 726 N ILE A 110 15.469 1.777 13.185 1.00 6.13 N ATOM 727 CA ILE A 110 15.727 0.358 13.373 1.00 6.32 C ATOM 728 C ILE A 110 17.201 0.029 13.083 1.00 6.65 C ATOM 729 O ILE A 110 17.821 -0.737 13.827 1.00 6.41 O ATOM 730 CB ILE A 110 14.790 -0.500 12.501 1.00 6.50 C ATOM 731 CG1 ILE A 110 13.345 -0.307 12.968 1.00 6.21 C ATOM 732 CG2 ILE A 110 15.184 -1.973 12.554 1.00 6.86 C ATOM 733 CD1 ILE A 110 12.315 -0.836 11.993 1.00 6.33 C ATOM 734 H ILE A 110 14.805 2.086 12.447 1.00 0.00 H ATOM 735 N LYS A 111 17.745 0.616 12.028 1.00 6.77 N ATOM 736 CA LYS A 111 19.152 0.398 11.670 1.00 7.46 C ATOM 737 C LYS A 111 20.048 0.829 12.818 1.00 7.68 C ATOM 738 O LYS A 111 20.951 0.088 13.219 1.00 7.78 O ATOM 739 CB LYS A 111 19.472 1.186 10.391 1.00 7.72 C ATOM 740 CG LYS A 111 20.924 1.106 9.928 1.00 8.70 C ATOM 741 CD LYS A 111 21.112 1.782 8.584 1.00 9.14 C ATOM 742 CE LYS A 111 22.581 1.762 8.143 1.00 9.65 C ATOM 743 NZ LYS A 111 23.394 2.799 8.833 1.00 9.82 N ATOM 744 HZ1 LYS A 111 23.007 3.740 8.619 1.00 0.00 H ATOM 745 HZ2 LYS A 111 23.364 2.635 9.860 1.00 0.00 H ATOM 746 HZ3 LYS A 111 24.378 2.744 8.501 1.00 0.00 H ATOM 747 H LYS A 111 17.162 1.246 11.440 1.00 0.00 H ATOM 748 N LYS A 112 19.803 2.015 13.368 1.00 7.85 N ATOM 749 CA LYS A 112 20.607 2.498 14.495 1.00 8.26 C ATOM 750 C LYS A 112 20.452 1.621 15.725 1.00 7.88 C ATOM 751 O LYS A 112 21.413 1.367 16.455 1.00 7.95 O ATOM 752 CB LYS A 112 20.264 3.950 14.829 1.00 9.48 C ATOM 753 CG LYS A 112 20.764 4.916 13.789 1.00 10.67 C ATOM 754 CD LYS A 112 20.551 6.360 14.184 1.00 12.64 C ATOM 755 CE LYS A 112 21.092 7.314 13.134 1.00 14.09 C ATOM 756 NZ LYS A 112 22.578 7.144 12.950 1.00 15.32 N ATOM 757 HZ1 LYS A 112 23.062 7.335 13.851 1.00 0.00 H ATOM 758 HZ2 LYS A 112 22.779 6.170 12.647 1.00 0.00 H ATOM 759 HZ3 LYS A 112 22.915 7.810 12.226 1.00 0.00 H ATOM 760 H LYS A 112 19.033 2.606 12.995 1.00 0.00 H ATOM 761 N ARG A 113 19.235 1.190 16.016 1.00 7.76 N ATOM 762 CA ARG A 113 19.001 0.305 17.152 1.00 7.57 C ATOM 763 C ARG A 113 19.785 -1.006 16.994 1.00 7.78 C ATOM 764 O ARG A 113 20.438 -1.467 17.944 1.00 7.74 O ATOM 765 CB ARG A 113 17.496 0.067 17.358 1.00 7.40 C ATOM 766 CG ARG A 113 16.795 1.257 17.936 1.00 7.68 C ATOM 767 CD ARG A 113 15.317 1.054 18.102 1.00 7.94 C ATOM 768 NE ARG A 113 14.779 2.204 18.823 1.00 8.12 N ATOM 769 CZ ARG A 113 13.566 2.251 19.368 1.00 8.68 C ATOM 770 NH1 ARG A 113 12.708 1.251 19.219 1.00 8.51 N ATOM 771 NH2 ARG A 113 13.200 3.335 20.028 1.00 9.58 N ATOM 772 HE ARG A 113 15.385 3.044 18.917 1.00 0.00 H ATOM 773 HH12 ARG A 113 11.764 1.306 19.653 1.00 0.00 H ATOM 774 HH11 ARG A 113 12.979 0.411 18.668 1.00 0.00 H ATOM 775 HH22 ARG A 113 12.255 3.387 20.460 1.00 0.00 H ATOM 776 HH21 ARG A 113 13.857 4.137 20.116 1.00 0.00 H ATOM 777 H ARG A 113 18.432 1.487 15.425 1.00 0.00 H ATOM 778 N LEU A 114 19.778 -1.575 15.794 1.00 7.78 N ATOM 779 CA LEU A 114 20.596 -2.775 15.543 1.00 8.15 C ATOM 780 C LEU A 114 22.089 -2.491 15.697 1.00 8.71 C ATOM 781 O LEU A 114 22.817 -3.264 16.347 1.00 9.73 O ATOM 782 CB LEU A 114 20.317 -3.368 14.166 1.00 8.29 C ATOM 783 CG LEU A 114 18.982 -4.077 14.048 1.00 8.55 C ATOM 784 CD1 LEU A 114 18.511 -4.176 12.612 1.00 8.79 C ATOM 785 CD2 LEU A 114 19.039 -5.444 14.714 1.00 8.80 C ATOM 786 H LEU A 114 19.195 -1.174 15.032 1.00 0.00 H ATOM 787 N GLU A 115 22.561 -1.379 15.151 1.00 9.09 N ATOM 788 CA GLU A 115 23.983 -1.035 15.247 1.00 9.27 C ATOM 789 C GLU A 115 24.434 -0.840 16.661 1.00 10.00 C ATOM 790 O GLU A 115 25.575 -1.180 17.026 1.00 10.79 O ATOM 791 CB GLU A 115 24.250 0.252 14.471 1.00 9.85 C ATOM 792 CG GLU A 115 24.107 0.095 12.982 1.00 9.41 C ATOM 793 CD GLU A 115 23.909 1.406 12.216 1.00 9.40 C ATOM 794 OE1 GLU A 115 23.672 2.482 12.815 1.00 9.96 O ATOM 795 OE2 GLU A 115 24.041 1.352 10.975 1.00 9.74 O ATOM 796 H GLU A 115 21.913 -0.741 14.647 1.00 0.00 H ATOM 797 N ASN A 116 23.565 -0.262 17.474 1.00 9.70 N ATOM 798 CA ASN A 116 23.869 0.079 18.855 1.00 10.32 C ATOM 799 C ASN A 116 23.529 -1.043 19.836 1.00 10.60 C ATOM 800 O ASN A 116 23.634 -0.836 21.046 1.00 11.52 O ATOM 801 CB ASN A 116 23.121 1.347 19.278 1.00 10.92 C ATOM 802 CG ASN A 116 23.518 2.561 18.478 1.00 12.34 C ATOM 803 OD1 ASN A 116 24.582 2.598 17.889 1.00 15.77 O ATOM 804 ND2 ASN A 116 22.650 3.550 18.453 1.00 12.32 N ATOM 805 HD22 ASN A 116 21.754 3.469 18.974 1.00 0.00 H ATOM 806 HD21 ASN A 116 22.860 4.413 17.912 1.00 0.00 H ATOM 807 H ASN A 116 22.617 -0.040 17.107 1.00 0.00 H ATOM 808 N ASN A 117 23.110 -2.193 19.322 1.00 10.46 N ATOM 809 CA ASN A 117 22.723 -3.342 20.160 1.00 10.97 C ATOM 810 C ASN A 117 21.608 -2.991 21.156 1.00 10.22 C ATOM 811 O ASN A 117 21.578 -3.437 22.299 1.00 11.23 O ATOM 812 CB ASN A 117 23.960 -3.919 20.875 1.00 12.04 C ATOM 813 CG ASN A 117 23.786 -5.372 21.270 1.00 13.89 C ATOM 814 OD1 ASN A 117 23.926 -5.698 22.444 1.00 15.19 O ATOM 815 ND2 ASN A 117 23.498 -6.244 20.314 1.00 14.94 N ATOM 816 HD22 ASN A 117 23.388 -5.921 19.331 1.00 0.00 H ATOM 817 HD21 ASN A 117 23.382 -7.251 20.547 1.00 0.00 H ATOM 818 H ASN A 117 23.053 -2.287 18.288 1.00 0.00 H ATOM 819 N TYR A 118 20.648 -2.194 20.692 1.00 9.18 N ATOM 820 CA TYR A 118 19.534 -1.730 21.519 1.00 9.42 C ATOM 821 C TYR A 118 18.570 -2.861 21.857 1.00 9.02 C ATOM 822 O TYR A 118 17.959 -2.865 22.918 1.00 9.39 O ATOM 823 CB TYR A 118 18.802 -0.631 20.751 1.00 9.37 C ATOM 824 CG TYR A 118 17.618 0.029 21.404 1.00 10.10 C ATOM 825 CD1 TYR A 118 16.339 -0.444 21.203 1.00 10.10 C ATOM 826 CD2 TYR A 118 17.777 1.156 22.187 1.00 11.43 C ATOM 827 CE1 TYR A 118 15.251 0.175 21.760 1.00 11.40 C ATOM 828 CE2 TYR A 118 16.683 1.788 22.755 1.00 11.68 C ATOM 829 CZ TYR A 118 15.427 1.294 22.518 1.00 12.54 C ATOM 830 OH TYR A 118 14.315 1.915 23.077 1.00 16.26 O ATOM 831 HH TYR A 118 13.496 1.430 22.804 1.00 0.00 H ATOM 832 H TYR A 118 20.692 -1.888 19.699 1.00 0.00 H ATOM 833 N TYR A 119 18.426 -3.817 20.944 1.00 8.62 N ATOM 834 CA TYR A 119 17.460 -4.903 21.101 1.00 8.73 C ATOM 835 C TYR A 119 18.071 -6.065 21.871 1.00 9.12 C ATOM 836 O TYR A 119 19.212 -6.457 21.624 1.00 10.17 O ATOM 837 CB TYR A 119 17.009 -5.414 19.740 1.00 8.65 C ATOM 838 CG TYR A 119 16.373 -4.369 18.826 1.00 8.10 C ATOM 839 CD1 TYR A 119 15.186 -3.754 19.169 1.00 7.61 C ATOM 840 CD2 TYR A 119 16.935 -4.052 17.600 1.00 7.95 C ATOM 841 CE1 TYR A 119 14.559 -2.851 18.340 1.00 7.98 C ATOM 842 CE2 TYR A 119 16.323 -3.138 16.753 1.00 8.18 C ATOM 843 CZ TYR A 119 15.140 -2.545 17.111 1.00 8.09 C ATOM 844 OH TYR A 119 14.543 -1.641 16.266 1.00 8.66 O ATOM 845 HH TYR A 119 13.704 -1.312 16.676 1.00 0.00 H ATOM 846 H TYR A 119 19.020 -3.791 20.091 1.00 0.00 H ATOM 847 N TRP A 120 17.281 -6.623 22.772 1.00 9.54 N ATOM 848 CA TRP A 120 17.683 -7.845 23.474 1.00 10.25 C ATOM 849 C TRP A 120 17.532 -9.092 22.629 1.00 11.05 C ATOM 850 O TRP A 120 18.214 -10.097 22.871 1.00 13.03 O ATOM 851 CB TRP A 120 16.821 -8.012 24.696 1.00 10.43 C ATOM 852 CG TRP A 120 17.109 -7.063 25.788 1.00 10.38 C ATOM 853 CD1 TRP A 120 16.478 -5.881 26.062 1.00 11.05 C ATOM 854 CD2 TRP A 120 18.077 -7.250 26.812 1.00 10.78 C ATOM 855 NE1 TRP A 120 17.016 -5.324 27.195 1.00 11.01 N ATOM 856 CE2 TRP A 120 17.998 -6.145 27.672 1.00 10.72 C ATOM 857 CE3 TRP A 120 19.018 -8.249 27.082 1.00 11.26 C ATOM 858 CZ2 TRP A 120 18.805 -6.015 28.799 1.00 11.28 C ATOM 859 CZ3 TRP A 120 19.809 -8.126 28.238 1.00 11.95 C ATOM 860 CH2 TRP A 120 19.705 -7.011 29.057 1.00 11.53 C ATOM 861 HE1 TRP A 120 16.723 -4.422 27.622 1.00 0.00 H ATOM 862 H TRP A 120 16.361 -6.188 22.986 1.00 0.00 H ATOM 863 N ASN A 121 16.630 -9.064 21.649 1.00 10.57 N ATOM 864 CA ASN A 121 16.367 -10.257 20.852 1.00 10.91 C ATOM 865 C ASN A 121 15.710 -9.876 19.554 1.00 10.89 C ATOM 866 O ASN A 121 15.336 -8.711 19.354 1.00 10.04 O ATOM 867 CB ASN A 121 15.483 -11.244 21.660 1.00 11.52 C ATOM 868 CG ASN A 121 14.126 -10.663 22.078 1.00 12.66 C ATOM 869 OD1 ASN A 121 13.437 -10.027 21.303 1.00 13.12 O ATOM 870 ND2 ASN A 121 13.729 -10.905 23.309 1.00 13.63 N ATOM 871 HD22 ASN A 121 14.336 -11.451 23.953 1.00 0.00 H ATOM 872 HD21 ASN A 121 12.808 -10.550 23.638 1.00 0.00 H ATOM 873 H ASN A 121 16.110 -8.186 21.451 1.00 0.00 H ATOM 874 N ALA A 122 15.547 -10.851 18.683 1.00 10.82 N ATOM 875 CA ALA A 122 15.006 -10.627 17.353 1.00 11.03 C ATOM 876 C ALA A 122 13.569 -10.163 17.412 1.00 11.60 C ATOM 877 O ALA A 122 13.125 -9.368 16.577 1.00 10.73 O ATOM 878 CB ALA A 122 15.100 -11.914 16.548 1.00 11.59 C ATOM 879 H ALA A 122 15.816 -11.817 18.958 1.00 0.00 H ATOM 880 N GLN A 123 12.816 -10.645 18.379 1.00 11.65 N ATOM 881 CA GLN A 123 11.405 -10.309 18.518 1.00 12.89 C ATOM 882 C GLN A 123 11.211 -8.801 18.707 1.00 11.07 C ATOM 883 O GLN A 123 10.292 -8.205 18.163 1.00 10.30 O ATOM 884 CB GLN A 123 10.803 -11.086 19.702 1.00 16.30 C ATOM 885 CG GLN A 123 9.319 -10.929 19.945 1.00 21.33 C ATOM 886 CD GLN A 123 8.824 -11.868 21.052 1.00 26.73 C ATOM 887 OE1 GLN A 123 8.183 -11.442 22.018 1.00 32.00 O ATOM 888 NE2 GLN A 123 9.136 -13.157 20.919 1.00 32.74 N ATOM 889 HE22 GLN A 123 9.677 -13.478 20.091 1.00 0.00 H ATOM 890 HE21 GLN A 123 8.838 -13.842 21.643 1.00 0.00 H ATOM 891 H GLN A 123 13.246 -11.291 19.071 1.00 0.00 H ATOM 892 N GLU A 124 12.078 -8.188 19.500 1.00 10.23 N ATOM 893 CA GLU A 124 11.969 -6.737 19.709 1.00 9.65 C ATOM 894 C GLU A 124 12.179 -5.984 18.423 1.00 9.19 C ATOM 895 O GLU A 124 11.488 -4.985 18.158 1.00 9.20 O ATOM 896 CB GLU A 124 12.969 -6.266 20.763 1.00 10.31 C ATOM 897 CG GLU A 124 12.579 -6.681 22.173 1.00 10.92 C ATOM 898 CD GLU A 124 13.453 -6.026 23.219 1.00 11.87 C ATOM 899 OE1 GLU A 124 14.641 -5.781 22.950 1.00 12.61 O ATOM 900 OE2 GLU A 124 12.940 -5.791 24.319 1.00 14.97 O ATOM 901 H GLU A 124 12.830 -8.730 19.971 1.00 0.00 H ATOM 902 N CYS A 125 13.137 -6.429 17.620 1.00 8.26 N ATOM 903 CA CYS A 125 13.386 -5.792 16.340 1.00 8.41 C ATOM 904 C CYS A 125 12.211 -5.992 15.393 1.00 8.59 C ATOM 905 O CYS A 125 11.720 -5.024 14.768 1.00 8.21 O ATOM 906 CB CYS A 125 14.681 -6.311 15.752 1.00 8.95 C ATOM 907 SG CYS A 125 15.031 -5.700 14.118 1.00 9.78 S ATOM 908 H CYS A 125 13.716 -7.243 17.911 1.00 0.00 H ATOM 909 N ILE A 126 11.723 -7.226 15.302 1.00 8.40 N ATOM 910 CA ILE A 126 10.523 -7.521 14.507 1.00 8.81 C ATOM 911 C ILE A 126 9.326 -6.646 14.919 1.00 8.81 C ATOM 912 O ILE A 126 8.576 -6.156 14.068 1.00 8.52 O ATOM 913 CB ILE A 126 10.190 -9.031 14.594 1.00 9.47 C ATOM 914 CG1 ILE A 126 11.269 -9.826 13.823 1.00 10.00 C ATOM 915 CG2 ILE A 126 8.798 -9.355 14.064 1.00 9.95 C ATOM 916 CD1 ILE A 126 11.395 -11.300 14.202 1.00 10.74 C ATOM 917 H ILE A 126 12.202 -8.000 15.805 1.00 0.00 H ATOM 918 N GLN A 127 9.140 -6.447 16.216 1.00 8.74 N ATOM 919 CA GLN A 127 8.078 -5.593 16.700 1.00 9.66 C ATOM 920 C GLN A 127 8.200 -4.175 16.132 1.00 8.46 C ATOM 921 O GLN A 127 7.232 -3.580 15.744 1.00 8.37 O ATOM 922 CB GLN A 127 8.086 -5.544 18.224 1.00 12.13 C ATOM 923 CG GLN A 127 6.976 -4.692 18.808 1.00 16.51 C ATOM 924 CD GLN A 127 6.744 -4.985 20.282 1.00 22.04 C ATOM 925 OE1 GLN A 127 7.676 -5.375 21.024 1.00 29.19 O ATOM 926 NE2 GLN A 127 5.478 -4.846 20.717 1.00 27.25 N ATOM 927 HE22 GLN A 127 4.737 -4.519 20.065 1.00 0.00 H ATOM 928 HE21 GLN A 127 5.241 -5.066 21.705 1.00 0.00 H ATOM 929 H GLN A 127 9.770 -6.914 16.899 1.00 0.00 H ATOM 930 N ASP A 128 9.406 -3.635 16.081 1.00 7.45 N ATOM 931 CA ASP A 128 9.589 -2.289 15.504 1.00 7.00 C ATOM 932 C ASP A 128 9.274 -2.252 14.015 1.00 6.82 C ATOM 933 O ASP A 128 8.673 -1.290 13.542 1.00 6.15 O ATOM 934 CB ASP A 128 11.010 -1.736 15.738 1.00 7.25 C ATOM 935 CG ASP A 128 11.213 -1.117 17.121 1.00 7.70 C ATOM 936 OD1 ASP A 128 10.240 -0.946 17.868 1.00 8.30 O ATOM 937 OD2 ASP A 128 12.381 -0.775 17.423 1.00 8.21 O ATOM 938 H ASP A 128 10.226 -4.159 16.448 1.00 0.00 H ATOM 939 N PHE A 129 9.649 -3.288 13.245 1.00 6.68 N ATOM 940 CA PHE A 129 9.227 -3.344 11.842 1.00 7.39 C ATOM 941 C PHE A 129 7.699 -3.350 11.774 1.00 7.51 C ATOM 942 O PHE A 129 7.087 -2.628 10.972 1.00 7.55 O ATOM 943 CB PHE A 129 9.797 -4.580 11.145 1.00 7.56 C ATOM 944 CG PHE A 129 11.196 -4.403 10.599 1.00 8.10 C ATOM 945 CD1 PHE A 129 11.378 -3.800 9.356 1.00 8.63 C ATOM 946 CD2 PHE A 129 12.314 -4.852 11.309 1.00 8.68 C ATOM 947 CE1 PHE A 129 12.641 -3.634 8.834 1.00 8.98 C ATOM 948 CE2 PHE A 129 13.592 -4.710 10.756 1.00 8.69 C ATOM 949 CZ PHE A 129 13.736 -4.087 9.521 1.00 8.93 C ATOM 950 H PHE A 129 10.237 -4.048 13.643 1.00 0.00 H ATOM 951 N ASN A 130 7.060 -4.171 12.607 1.00 7.72 N ATOM 952 CA ASN A 130 5.606 -4.222 12.625 1.00 8.74 C ATOM 953 C ASN A 130 4.964 -2.875 12.955 1.00 7.89 C ATOM 954 O ASN A 130 3.956 -2.502 12.353 1.00 7.41 O ATOM 955 CB ASN A 130 5.127 -5.304 13.590 1.00 10.63 C ATOM 956 CG ASN A 130 3.604 -5.440 13.617 1.00 13.23 C ATOM 957 OD1 ASN A 130 2.993 -5.960 12.677 1.00 16.70 O ATOM 958 ND2 ASN A 130 2.987 -4.930 14.658 1.00 14.76 N ATOM 959 HD22 ASN A 130 3.537 -4.501 15.429 1.00 0.00 H ATOM 960 HD21 ASN A 130 1.949 -4.955 14.711 1.00 0.00 H ATOM 961 H ASN A 130 7.605 -4.780 13.250 1.00 0.00 H ATOM 962 N THR A 131 5.529 -2.164 13.923 1.00 6.95 N ATOM 963 CA THR A 131 5.066 -0.827 14.263 1.00 6.78 C ATOM 964 C THR A 131 5.186 0.105 13.071 1.00 6.52 C ATOM 965 O THR A 131 4.265 0.846 12.765 1.00 6.34 O ATOM 966 CB THR A 131 5.833 -0.264 15.473 1.00 6.98 C ATOM 967 OG1 THR A 131 5.532 -1.103 16.612 1.00 7.81 O ATOM 968 CG2 THR A 131 5.528 1.181 15.758 1.00 7.44 C ATOM 969 HG1 THR A 131 6.014 -0.763 17.407 1.00 0.00 H ATOM 970 H THR A 131 6.324 -2.574 14.453 1.00 0.00 H ATOM 971 N MET A 132 6.313 0.053 12.363 1.00 6.12 N ATOM 972 CA MET A 132 6.488 0.897 11.175 1.00 6.28 C ATOM 973 C MET A 132 5.409 0.615 10.116 1.00 6.25 C ATOM 974 O MET A 132 4.783 1.525 9.589 1.00 6.44 O ATOM 975 CB MET A 132 7.876 0.664 10.595 1.00 6.36 C ATOM 976 CG MET A 132 8.138 1.448 9.315 1.00 6.84 C ATOM 977 SD MET A 132 9.770 1.137 8.660 1.00 7.29 S ATOM 978 CE MET A 132 9.574 -0.503 8.019 1.00 8.83 C ATOM 979 H MET A 132 7.076 -0.591 12.655 1.00 0.00 H ATOM 980 N PHE A 133 5.192 -0.662 9.804 1.00 6.57 N ATOM 981 CA PHE A 133 4.189 -0.975 8.772 1.00 7.20 C ATOM 982 C PHE A 133 2.770 -0.609 9.224 1.00 6.91 C ATOM 983 O PHE A 133 1.994 0.027 8.467 1.00 6.90 O ATOM 984 CB PHE A 133 4.241 -2.448 8.369 1.00 7.85 C ATOM 985 CG PHE A 133 5.542 -2.863 7.764 1.00 8.44 C ATOM 986 CD1 PHE A 133 6.057 -2.186 6.684 1.00 9.10 C ATOM 987 CD2 PHE A 133 6.253 -3.953 8.276 1.00 9.18 C ATOM 988 CE1 PHE A 133 7.268 -2.557 6.116 1.00 9.43 C ATOM 989 CE2 PHE A 133 7.447 -4.321 7.704 1.00 9.63 C ATOM 990 CZ PHE A 133 7.944 -3.626 6.628 1.00 9.40 C ATOM 991 H PHE A 133 5.720 -1.422 10.279 1.00 0.00 H ATOM 992 N THR A 134 2.426 -0.997 10.454 1.00 7.10 N ATOM 993 CA THR A 134 1.073 -0.709 10.922 1.00 7.53 C ATOM 994 C THR A 134 0.833 0.794 11.089 1.00 6.97 C ATOM 995 O THR A 134 -0.284 1.241 10.848 1.00 7.32 O ATOM 996 CB THR A 134 0.680 -1.488 12.169 1.00 8.35 C ATOM 997 OG1 THR A 134 1.597 -1.205 13.199 1.00 9.34 O ATOM 998 CG2 THR A 134 0.684 -2.931 11.935 1.00 8.97 C ATOM 999 HG1 THR A 134 2.506 -1.472 12.912 1.00 0.00 H ATOM 1000 H THR A 134 3.106 -1.493 11.065 1.00 0.00 H ATOM 1001 N ASN A 135 1.854 1.587 11.438 1.00 6.23 N ATOM 1002 CA ASN A 135 1.617 3.035 11.494 1.00 6.19 C ATOM 1003 C ASN A 135 1.160 3.535 10.131 1.00 6.35 C ATOM 1004 O ASN A 135 0.302 4.400 10.008 1.00 6.18 O ATOM 1005 CB ASN A 135 2.894 3.775 11.860 1.00 6.09 C ATOM 1006 CG ASN A 135 3.262 3.684 13.320 1.00 6.32 C ATOM 1007 OD1 ASN A 135 2.459 3.321 14.161 1.00 6.75 O ATOM 1008 ND2 ASN A 135 4.503 4.060 13.621 1.00 6.42 N ATOM 1009 HD22 ASN A 135 5.152 4.362 12.867 1.00 0.00 H ATOM 1010 HD21 ASN A 135 4.823 4.052 14.610 1.00 0.00 H ATOM 1011 H ASN A 135 2.788 1.189 11.663 1.00 0.00 H ATOM 1012 N CYS A 136 1.753 2.994 9.064 1.00 6.32 N ATOM 1013 CA CYS A 136 1.399 3.395 7.726 1.00 6.41 C ATOM 1014 C CYS A 136 -0.075 3.025 7.433 1.00 6.30 C ATOM 1015 O CYS A 136 -0.815 3.836 6.901 1.00 6.07 O ATOM 1016 CB CYS A 136 2.375 2.772 6.712 1.00 6.60 C ATOM 1017 SG CYS A 136 2.120 3.298 5.013 1.00 7.62 S ATOM 1018 H CYS A 136 2.485 2.268 9.201 1.00 0.00 H ATOM 1019 N TYR A 137 -0.472 1.833 7.834 1.00 6.45 N ATOM 1020 CA TYR A 137 -1.844 1.403 7.654 1.00 6.51 C ATOM 1021 C TYR A 137 -2.834 2.198 8.483 1.00 6.65 C ATOM 1022 O TYR A 137 -3.946 2.453 8.030 1.00 7.13 O ATOM 1023 CB TYR A 137 -1.975 -0.088 7.955 1.00 6.55 C ATOM 1024 CG TYR A 137 -1.005 -1.012 7.244 1.00 6.86 C ATOM 1025 CD1 TYR A 137 -0.482 -0.695 6.005 1.00 7.42 C ATOM 1026 CD2 TYR A 137 -0.615 -2.205 7.844 1.00 6.78 C ATOM 1027 CE1 TYR A 137 0.402 -1.544 5.356 1.00 7.58 C ATOM 1028 CE2 TYR A 137 0.285 -3.054 7.214 1.00 7.14 C ATOM 1029 CZ TYR A 137 0.773 -2.715 5.960 1.00 7.64 C ATOM 1030 OH TYR A 137 1.691 -3.555 5.318 1.00 9.23 O ATOM 1031 HH TYR A 137 1.283 -4.447 5.185 1.00 0.00 H ATOM 1032 H TYR A 137 0.210 1.192 8.286 1.00 0.00 H ATOM 1033 N ILE A 138 -2.426 2.582 9.675 1.00 6.48 N ATOM 1034 CA ILE A 138 -3.273 3.384 10.550 1.00 6.66 C ATOM 1035 C ILE A 138 -3.485 4.781 10.007 1.00 7.39 C ATOM 1036 O ILE A 138 -4.624 5.231 9.929 1.00 7.72 O ATOM 1037 CB ILE A 138 -2.649 3.474 11.936 1.00 6.59 C ATOM 1038 CG1 ILE A 138 -2.768 2.106 12.655 1.00 6.63 C ATOM 1039 CG2 ILE A 138 -3.294 4.590 12.770 1.00 6.84 C ATOM 1040 CD1 ILE A 138 -1.889 1.961 13.890 1.00 7.18 C ATOM 1041 H ILE A 138 -1.477 2.307 10.000 1.00 0.00 H ATOM 1042 N TYR A 139 -2.432 5.449 9.567 1.00 7.19 N ATOM 1043 CA TYR A 139 -2.549 6.856 9.189 1.00 7.75 C ATOM 1044 C TYR A 139 -3.237 7.034 7.848 1.00 8.28 C ATOM 1045 O TYR A 139 -3.995 7.981 7.622 1.00 8.98 O ATOM 1046 CB TYR A 139 -1.144 7.521 9.190 1.00 7.93 C ATOM 1047 CG TYR A 139 -1.223 8.985 8.818 1.00 8.08 C ATOM 1048 CD1 TYR A 139 -1.759 9.916 9.699 1.00 8.62 C ATOM 1049 CD2 TYR A 139 -0.831 9.417 7.561 1.00 8.60 C ATOM 1050 CE1 TYR A 139 -1.889 11.242 9.330 1.00 8.96 C ATOM 1051 CE2 TYR A 139 -0.972 10.737 7.186 1.00 9.38 C ATOM 1052 CZ TYR A 139 -1.485 11.636 8.078 1.00 9.31 C ATOM 1053 OH TYR A 139 -1.642 12.968 7.720 1.00 11.77 O ATOM 1054 HH TYR A 139 -2.024 13.471 8.483 1.00 0.00 H ATOM 1055 H TYR A 139 -1.513 4.969 9.489 1.00 0.00 H ATOM 1056 N ASN A 140 -2.914 6.146 6.926 1.00 8.50 N ATOM 1057 CA ASN A 140 -3.355 6.232 5.539 1.00 9.29 C ATOM 1058 C ASN A 140 -4.598 5.408 5.263 1.00 10.80 C ATOM 1059 O ASN A 140 -5.126 4.732 6.137 1.00 13.41 O ATOM 1060 CB ASN A 140 -2.176 5.856 4.644 1.00 9.19 C ATOM 1061 CG ASN A 140 -0.988 6.759 4.885 1.00 8.86 C ATOM 1062 OD1 ASN A 140 -1.031 7.922 4.506 1.00 9.83 O ATOM 1063 ND2 ASN A 140 0.027 6.254 5.567 1.00 8.24 N ATOM 1064 HD22 ASN A 140 0.010 5.257 5.864 1.00 0.00 H ATOM 1065 HD21 ASN A 140 0.842 6.854 5.806 1.00 0.00 H ATOM 1066 H ASN A 140 -2.314 5.343 7.204 1.00 0.00 H ATOM 1067 N LYS A 141 -5.116 5.574 4.057 1.00 11.86 N ATOM 1068 CA LYS A 141 -6.323 4.830 3.650 1.00 13.75 C ATOM 1069 C LYS A 141 -5.905 3.566 2.901 1.00 12.64 C ATOM 1070 O LYS A 141 -4.868 3.562 2.223 1.00 11.28 O ATOM 1071 CB LYS A 141 -7.272 5.706 2.836 1.00 16.94 C ATOM 1072 CG LYS A 141 -8.000 6.729 3.731 1.00 20.41 C ATOM 1073 CD LYS A 141 -8.641 7.824 2.894 1.00 24.18 C ATOM 1074 CE LYS A 141 -8.936 9.105 3.677 1.00 27.00 C ATOM 1075 NZ LYS A 141 -10.343 9.179 4.158 1.00 29.16 N ATOM 1076 HZ1 LYS A 141 -10.989 9.149 3.343 1.00 0.00 H ATOM 1077 HZ2 LYS A 141 -10.537 8.372 4.785 1.00 0.00 H ATOM 1078 HZ3 LYS A 141 -10.483 10.067 4.681 1.00 0.00 H ATOM 1079 H LYS A 141 -4.668 6.235 3.390 1.00 0.00 H ATOM 1080 N PRO A 142 -6.685 2.495 3.047 1.00 11.63 N ATOM 1081 CA PRO A 142 -6.351 1.225 2.438 1.00 11.87 C ATOM 1082 C PRO A 142 -5.933 1.232 0.988 1.00 12.02 C ATOM 1083 O PRO A 142 -5.065 0.431 0.621 1.00 11.33 O ATOM 1084 CB PRO A 142 -7.627 0.422 2.637 1.00 11.92 C ATOM 1085 CG PRO A 142 -8.057 0.872 3.997 1.00 12.04 C ATOM 1086 CD PRO A 142 -7.838 2.337 3.967 1.00 11.65 C ATOM 1087 N GLY A 143 -6.504 2.112 0.173 1.00 11.18 N ATOM 1088 CA GLY A 143 -6.158 2.162 -1.256 1.00 11.31 C ATOM 1089 C GLY A 143 -4.985 3.033 -1.658 1.00 10.98 C ATOM 1090 O GLY A 143 -4.673 3.159 -2.841 1.00 11.15 O ATOM 1091 H GLY A 143 -7.208 2.777 0.552 1.00 0.00 H ATOM 1092 N ASP A 144 -4.341 3.660 -0.674 1.00 10.37 N ATOM 1093 CA ASP A 144 -3.318 4.639 -0.952 1.00 10.76 C ATOM 1094 C ASP A 144 -2.038 3.997 -1.479 1.00 10.02 C ATOM 1095 O ASP A 144 -1.676 2.894 -1.106 1.00 10.30 O ATOM 1096 CB ASP A 144 -2.972 5.457 0.300 1.00 11.71 C ATOM 1097 CG ASP A 144 -4.063 6.464 0.695 1.00 13.13 C ATOM 1098 OD1 ASP A 144 -5.016 6.718 -0.089 1.00 13.86 O ATOM 1099 OD2 ASP A 144 -3.989 6.977 1.843 1.00 13.66 O ATOM 1100 H ASP A 144 -4.580 3.439 0.314 1.00 0.00 H ATOM 1101 N ASP A 145 -1.334 4.727 -2.325 1.00 10.79 N ATOM 1102 CA ASP A 145 -0.071 4.252 -2.867 1.00 11.03 C ATOM 1103 C ASP A 145 0.934 3.874 -1.789 1.00 9.85 C ATOM 1104 O ASP A 145 1.585 2.825 -1.874 1.00 9.38 O ATOM 1105 CB ASP A 145 0.538 5.314 -3.764 1.00 12.55 C ATOM 1106 CG ASP A 145 -0.186 5.478 -5.091 1.00 14.48 C ATOM 1107 OD1 ASP A 145 -1.001 4.609 -5.481 1.00 14.10 O ATOM 1108 OD2 ASP A 145 0.079 6.523 -5.716 1.00 18.18 O ATOM 1109 H ASP A 145 -1.691 5.662 -2.610 1.00 0.00 H ATOM 1110 N ILE A 146 1.032 4.727 -0.773 1.00 9.58 N ATOM 1111 CA ILE A 146 1.995 4.465 0.320 1.00 8.83 C ATOM 1112 C ILE A 146 1.675 3.154 1.053 1.00 8.51 C ATOM 1113 O ILE A 146 2.582 2.465 1.534 1.00 7.81 O ATOM 1114 CB ILE A 146 2.107 5.664 1.287 1.00 8.96 C ATOM 1115 CG1 ILE A 146 3.349 5.545 2.222 1.00 9.23 C ATOM 1116 CG2 ILE A 146 0.821 5.819 2.087 1.00 9.42 C ATOM 1117 CD1 ILE A 146 4.647 5.812 1.521 1.00 9.93 C ATOM 1118 H ILE A 146 0.433 5.577 -0.747 1.00 0.00 H ATOM 1119 N VAL A 147 0.387 2.805 1.128 1.00 8.02 N ATOM 1120 CA VAL A 147 -0.025 1.537 1.705 1.00 7.99 C ATOM 1121 C VAL A 147 0.366 0.345 0.831 1.00 7.97 C ATOM 1122 O VAL A 147 0.823 -0.646 1.355 1.00 8.59 O ATOM 1123 CB VAL A 147 -1.540 1.574 2.055 1.00 8.06 C ATOM 1124 CG1 VAL A 147 -2.105 0.213 2.438 1.00 8.12 C ATOM 1125 CG2 VAL A 147 -1.772 2.573 3.178 1.00 8.11 C ATOM 1126 H VAL A 147 -0.338 3.457 0.765 1.00 0.00 H ATOM 1127 N LEU A 148 0.204 0.440 -0.493 1.00 9.13 N ATOM 1128 CA LEU A 148 0.714 -0.625 -1.381 1.00 9.37 C ATOM 1129 C LEU A 148 2.207 -0.823 -1.173 1.00 9.20 C ATOM 1130 O LEU A 148 2.660 -1.972 -1.060 1.00 9.59 O ATOM 1131 CB LEU A 148 0.454 -0.338 -2.866 1.00 10.38 C ATOM 1132 CG LEU A 148 0.939 -1.497 -3.795 1.00 11.74 C ATOM 1133 CD1 LEU A 148 0.066 -1.589 -5.049 1.00 12.61 C ATOM 1134 CD2 LEU A 148 2.417 -1.485 -4.161 1.00 12.57 C ATOM 1135 H LEU A 148 -0.282 1.265 -0.898 1.00 0.00 H ATOM 1136 N MET A 149 2.945 0.287 -1.040 1.00 8.64 N ATOM 1137 CA MET A 149 4.396 0.207 -0.828 1.00 8.63 C ATOM 1138 C MET A 149 4.744 -0.500 0.478 1.00 8.52 C ATOM 1139 O MET A 149 5.550 -1.433 0.497 1.00 9.17 O ATOM 1140 CB MET A 149 4.994 1.609 -0.882 1.00 8.87 C ATOM 1141 CG MET A 149 4.880 2.276 -2.257 1.00 9.25 C ATOM 1142 SD MET A 149 5.359 4.013 -2.223 1.00 10.00 S ATOM 1143 CE MET A 149 7.135 3.913 -2.296 1.00 9.85 C ATOM 1144 H MET A 149 2.484 1.218 -1.088 1.00 0.00 H ATOM 1145 N ALA A 150 4.078 -0.105 1.571 1.00 8.13 N ATOM 1146 CA ALA A 150 4.250 -0.742 2.865 1.00 8.32 C ATOM 1147 C ALA A 150 3.907 -2.219 2.791 1.00 8.82 C ATOM 1148 O ALA A 150 4.616 -3.047 3.339 1.00 8.95 O ATOM 1149 CB ALA A 150 3.401 -0.056 3.931 1.00 8.32 C ATOM 1150 H ALA A 150 3.411 0.689 1.490 1.00 0.00 H ATOM 1151 N GLU A 151 2.806 -2.561 2.115 1.00 9.67 N ATOM 1152 CA GLU A 151 2.413 -3.984 2.026 1.00 10.54 C ATOM 1153 C GLU A 151 3.473 -4.833 1.316 1.00 10.28 C ATOM 1154 O GLU A 151 3.736 -5.976 1.707 1.00 10.42 O ATOM 1155 CB GLU A 151 1.080 -4.149 1.311 1.00 11.11 C ATOM 1156 CG GLU A 151 -0.123 -3.744 2.167 1.00 11.35 C ATOM 1157 CD GLU A 151 -1.442 -3.771 1.438 1.00 12.51 C ATOM 1158 OE1 GLU A 151 -1.499 -4.146 0.242 1.00 12.96 O ATOM 1159 OE2 GLU A 151 -2.435 -3.426 2.102 1.00 13.70 O ATOM 1160 H GLU A 151 2.228 -1.830 1.654 1.00 0.00 H ATOM 1161 N ALA A 152 4.035 -4.268 0.260 1.00 10.81 N ATOM 1162 CA ALA A 152 5.082 -4.973 -0.482 1.00 11.20 C ATOM 1163 C ALA A 152 6.310 -5.176 0.376 1.00 11.37 C ATOM 1164 O ALA A 152 6.885 -6.273 0.404 1.00 12.31 O ATOM 1165 CB ALA A 152 5.451 -4.219 -1.727 1.00 11.69 C ATOM 1166 H ALA A 152 3.732 -3.321 -0.044 1.00 0.00 H ATOM 1167 N LEU A 153 6.722 -4.138 1.105 1.00 11.10 N ATOM 1168 CA LEU A 153 7.854 -4.281 2.017 1.00 10.59 C ATOM 1169 C LEU A 153 7.596 -5.261 3.114 1.00 10.79 C ATOM 1170 O LEU A 153 8.463 -6.027 3.519 1.00 10.48 O ATOM 1171 CB LEU A 153 8.236 -2.933 2.634 1.00 10.89 C ATOM 1172 CG LEU A 153 8.741 -1.889 1.660 1.00 11.46 C ATOM 1173 CD1 LEU A 153 8.771 -0.494 2.272 1.00 11.83 C ATOM 1174 CD2 LEU A 153 10.138 -2.275 1.174 1.00 11.75 C ATOM 1175 H LEU A 153 6.235 -3.223 1.024 1.00 0.00 H ATOM 1176 N GLU A 154 6.375 -5.252 3.636 1.00 10.38 N ATOM 1177 CA GLU A 154 6.005 -6.163 4.711 1.00 10.89 C ATOM 1178 C GLU A 154 6.045 -7.628 4.256 1.00 11.31 C ATOM 1179 O GLU A 154 6.512 -8.502 4.994 1.00 10.70 O ATOM 1180 CB GLU A 154 4.623 -5.801 5.286 1.00 11.93 C ATOM 1181 CG GLU A 154 4.249 -6.634 6.492 1.00 12.52 C ATOM 1182 CD GLU A 154 2.883 -6.319 7.070 1.00 14.29 C ATOM 1183 OE1 GLU A 154 1.960 -5.996 6.314 1.00 15.13 O ATOM 1184 OE2 GLU A 154 2.755 -6.422 8.297 1.00 17.32 O ATOM 1185 H GLU A 154 5.669 -4.582 3.270 1.00 0.00 H ATOM 1186 N LYS A 155 5.552 -7.870 3.049 1.00 12.67 N ATOM 1187 CA LYS A 155 5.603 -9.221 2.475 1.00 14.32 C ATOM 1188 C LYS A 155 7.061 -9.690 2.336 1.00 13.55 C ATOM 1189 O LYS A 155 7.396 -10.805 2.735 1.00 12.49 O ATOM 1190 CB LYS A 155 4.907 -9.236 1.112 1.00 17.66 C ATOM 1191 CG LYS A 155 4.388 -10.588 0.615 1.00 22.31 C ATOM 1192 CD LYS A 155 3.352 -10.429 -0.523 1.00 25.33 C ATOM 1193 CE LYS A 155 2.056 -9.652 -0.166 1.00 26.99 C ATOM 1194 NZ LYS A 155 1.040 -9.503 -1.272 1.00 28.11 N ATOM 1195 HZ1 LYS A 155 1.470 -8.993 -2.070 1.00 0.00 H ATOM 1196 HZ2 LYS A 155 0.732 -10.445 -1.587 1.00 0.00 H ATOM 1197 HZ3 LYS A 155 0.220 -8.969 -0.919 1.00 0.00 H ATOM 1198 H LYS A 155 5.125 -7.095 2.503 1.00 0.00 H ATOM 1199 N LEU A 156 7.921 -8.822 1.833 1.00 13.67 N ATOM 1200 CA LEU A 156 9.346 -9.161 1.729 1.00 13.12 C ATOM 1201 C LEU A 156 9.958 -9.394 3.108 1.00 12.89 C ATOM 1202 O LEU A 156 10.702 -10.367 3.340 1.00 12.33 O ATOM 1203 CB LEU A 156 10.105 -8.068 1.000 1.00 14.09 C ATOM 1204 CG LEU A 156 11.626 -8.194 0.958 1.00 15.54 C ATOM 1205 CD1 LEU A 156 12.031 -9.509 0.313 1.00 16.28 C ATOM 1206 CD2 LEU A 156 12.184 -7.006 0.212 1.00 15.86 C ATOM 1207 H LEU A 156 7.586 -7.892 1.509 1.00 0.00 H ATOM 1208 N PHE A 157 9.642 -8.513 4.054 1.00 12.12 N ATOM 1209 CA PHE A 157 10.123 -8.677 5.419 1.00 12.53 C ATOM 1210 C PHE A 157 9.727 -10.021 6.022 1.00 12.31 C ATOM 1211 O PHE A 157 10.552 -10.680 6.620 1.00 12.51 O ATOM 1212 CB PHE A 157 9.598 -7.519 6.266 1.00 12.35 C ATOM 1213 CG PHE A 157 9.921 -7.628 7.727 1.00 12.89 C ATOM 1214 CD1 PHE A 157 11.222 -7.432 8.176 1.00 13.47 C ATOM 1215 CD2 PHE A 157 8.938 -7.977 8.644 1.00 13.60 C ATOM 1216 CE1 PHE A 157 11.525 -7.565 9.531 1.00 13.89 C ATOM 1217 CE2 PHE A 157 9.252 -8.090 9.995 1.00 14.13 C ATOM 1218 CZ PHE A 157 10.530 -7.881 10.426 1.00 13.41 C ATOM 1219 H PHE A 157 9.044 -7.697 3.815 1.00 0.00 H ATOM 1220 N LEU A 158 8.473 -10.440 5.851 1.00 13.19 N ATOM 1221 CA LEU A 158 7.994 -11.716 6.396 1.00 14.45 C ATOM 1222 C LEU A 158 8.737 -12.893 5.736 1.00 15.00 C ATOM 1223 O LEU A 158 9.075 -13.866 6.415 1.00 16.47 O ATOM 1224 CB LEU A 158 6.474 -11.858 6.245 1.00 15.61 C ATOM 1225 CG LEU A 158 5.672 -10.952 7.179 1.00 16.36 C ATOM 1226 CD1 LEU A 158 4.185 -10.926 6.836 1.00 16.55 C ATOM 1227 CD2 LEU A 158 5.893 -11.333 8.634 1.00 16.98 C ATOM 1228 H LEU A 158 7.812 -9.843 5.314 1.00 0.00 H ATOM 1229 N GLN A 159 9.026 -12.756 4.445 1.00 15.56 N ATOM 1230 CA GLN A 159 9.852 -13.751 3.738 1.00 16.85 C ATOM 1231 C GLN A 159 11.281 -13.791 4.305 1.00 16.58 C ATOM 1232 O GLN A 159 11.821 -14.879 4.561 1.00 18.10 O ATOM 1233 CB GLN A 159 9.826 -13.482 2.242 1.00 17.76 C ATOM 1234 CG GLN A 159 8.466 -13.785 1.648 1.00 20.35 C ATOM 1235 CD GLN A 159 8.230 -13.264 0.233 1.00 22.95 C ATOM 1236 OE1 GLN A 159 8.983 -12.433 -0.296 1.00 24.60 O ATOM 1237 NE2 GLN A 159 7.148 -13.760 -0.389 1.00 24.36 N ATOM 1238 HE22 GLN A 159 6.544 -14.456 0.094 1.00 0.00 H ATOM 1239 HE21 GLN A 159 6.914 -13.448 -1.353 1.00 0.00 H ATOM 1240 H GLN A 159 8.663 -11.932 3.925 1.00 0.00 H ATOM 1241 N LYS A 160 11.887 -12.634 4.553 1.00 16.69 N ATOM 1242 CA LYS A 160 13.233 -12.623 5.092 1.00 16.70 C ATOM 1243 C LYS A 160 13.324 -13.144 6.532 1.00 18.02 C ATOM 1244 O LYS A 160 14.328 -13.761 6.885 1.00 17.46 O ATOM 1245 CB LYS A 160 13.848 -11.218 5.023 1.00 18.16 C ATOM 1246 CG LYS A 160 14.010 -10.589 3.641 1.00 18.98 C ATOM 1247 CD LYS A 160 14.767 -11.432 2.630 1.00 20.38 C ATOM 1248 CE LYS A 160 16.242 -11.458 2.935 1.00 20.96 C ATOM 1249 NZ LYS A 160 16.880 -12.433 2.014 1.00 21.59 N ATOM 1250 HZ1 LYS A 160 16.464 -13.374 2.165 1.00 0.00 H ATOM 1251 HZ2 LYS A 160 16.720 -12.135 1.031 1.00 0.00 H ATOM 1252 HZ3 LYS A 160 17.902 -12.470 2.204 1.00 0.00 H ATOM 1253 H LYS A 160 11.396 -11.738 4.361 1.00 0.00 H ATOM 1254 N ILE A 161 12.296 -12.906 7.349 1.00 18.15 N ATOM 1255 CA ILE A 161 12.239 -13.403 8.734 1.00 19.47 C ATOM 1256 C ILE A 161 12.067 -14.918 8.762 1.00 19.83 C ATOM 1257 O ILE A 161 12.558 -15.559 9.675 1.00 18.94 O ATOM 1258 CB ILE A 161 11.118 -12.699 9.555 1.00 21.05 C ATOM 1259 CG1 ILE A 161 11.432 -11.208 9.692 1.00 22.55 C ATOM 1260 CG2 ILE A 161 10.910 -13.342 10.929 1.00 24.39 C ATOM 1261 CD1 ILE A 161 12.676 -10.895 10.460 1.00 22.05 C ATOM 1262 H ILE A 161 11.498 -12.343 6.991 1.00 0.00 H ATOM 1263 N ASN A 162 11.387 -15.482 7.767 1.00 21.59 N ATOM 1264 CA ASN A 162 11.364 -16.950 7.611 1.00 24.18 C ATOM 1265 C ASN A 162 12.744 -17.583 7.427 1.00 23.49 C ATOM 1266 O ASN A 162 12.908 -18.761 7.681 1.00 25.11 O ATOM 1267 CB ASN A 162 10.449 -17.380 6.444 1.00 27.16 C ATOM 1268 CG ASN A 162 8.976 -17.420 6.829 1.00 31.46 C ATOM 1269 OD1 ASN A 162 8.626 -17.536 8.013 1.00 37.10 O ATOM 1270 ND2 ASN A 162 8.103 -17.319 5.829 1.00 33.32 N ATOM 1271 HD22 ASN A 162 8.442 -17.223 4.850 1.00 0.00 H ATOM 1272 HD21 ASN A 162 7.082 -17.336 6.026 1.00 0.00 H ATOM 1273 H ASN A 162 10.867 -14.884 7.094 1.00 0.00 H ATOM 1274 N GLU A 163 13.731 -16.795 7.005 1.00 23.80 N ATOM 1275 CA GLU A 163 15.081 -17.273 6.778 1.00 24.37 C ATOM 1276 C GLU A 163 16.021 -17.003 7.961 1.00 25.40 C ATOM 1277 O GLU A 163 17.236 -17.132 7.811 1.00 25.69 O ATOM 1278 CB GLU A 163 15.646 -16.601 5.519 1.00 26.17 C ATOM 1279 CG GLU A 163 14.783 -16.689 4.274 1.00 27.15 C ATOM 1280 CD GLU A 163 15.030 -15.546 3.293 1.00 28.92 C ATOM 1281 OE1 GLU A 163 14.280 -15.504 2.296 1.00 31.88 O ATOM 1282 OE2 GLU A 163 15.953 -14.711 3.508 1.00 28.45 O ATOM 1283 H GLU A 163 13.524 -15.791 6.830 1.00 0.00 H ATOM 1284 N LEU A 164 15.490 -16.646 9.137 1.00 25.59 N ATOM 1285 CA LEU A 164 16.344 -16.375 10.309 1.00 27.67 C ATOM 1286 C LEU A 164 17.177 -17.598 10.710 1.00 31.05 C ATOM 1287 O LEU A 164 16.679 -18.717 10.637 1.00 32.35 O ATOM 1288 CB LEU A 164 15.518 -15.945 11.534 1.00 27.38 C ATOM 1289 CG LEU A 164 15.137 -14.469 11.700 1.00 26.82 C ATOM 1290 CD1 LEU A 164 14.108 -14.358 12.814 1.00 27.32 C ATOM 1291 CD2 LEU A 164 16.328 -13.577 12.010 1.00 26.60 C ATOM 1292 H LEU A 164 14.458 -16.558 9.226 1.00 0.00 H ATOM 1293 N PRO A 165 18.440 -17.382 11.131 1.00 34.41 N ATOM 1294 CA PRO A 165 19.264 -18.422 11.767 1.00 36.71 C ATOM 1295 C PRO A 165 18.636 -19.061 13.006 1.00 38.28 C ATOM 1296 O PRO A 165 17.629 -18.576 13.521 1.00 38.70 O ATOM 1297 CB PRO A 165 20.522 -17.658 12.200 1.00 36.47 C ATOM 1298 CG PRO A 165 20.600 -16.479 11.309 1.00 36.03 C ATOM 1299 CD PRO A 165 19.201 -16.137 10.901 1.00 34.11 C ATOM 1300 N THR A 166 19.278 -20.126 13.485 1.00 41.63 N ATOM 1301 CA THR A 166 18.871 -20.867 14.687 1.00 44.11 C ATOM 1302 C THR A 166 18.649 -19.988 15.923 1.00 43.57 C ATOM 1303 O THR A 166 19.598 -19.521 16.554 1.00 44.72 O ATOM 1304 CB THR A 166 19.926 -21.946 15.031 1.00 46.57 C ATOM 1305 OG1 THR A 166 20.265 -22.678 13.846 1.00 48.10 O ATOM 1306 CG2 THR A 166 19.413 -22.911 16.093 1.00 48.45 C ATOM 1307 HG1 THR A 166 20.940 -23.368 14.067 1.00 0.00 H ATOM 1308 H THR A 166 20.123 -20.454 12.975 1.00 0.00 H TER 1309 THR A 166 HETATM 1310 O HOH 1 19.058 -10.249 0.588 1.00 29.11 O HETATM 1311 O HOH 2 24.151 -1.528 -3.053 1.00 15.66 O HETATM 1312 O HOH 3 3.269 5.909 8.613 1.00 7.22 O HETATM 1313 O HOH 4 -12.629 7.963 3.650 1.00 28.13 O HETATM 1314 O HOH 5 -5.234 9.691 9.222 1.00 23.65 O HETATM 1315 O HOH 6 8.235 13.013 -1.486 1.00 28.78 O HETATM 1316 O HOH 7 25.174 -0.780 9.857 1.00 16.18 O HETATM 1317 O HOH 8 20.561 -10.453 24.074 1.00 28.63 O HETATM 1318 O HOH 9 10.320 -5.906 24.799 1.00 25.44 O HETATM 1319 O HOH 10 17.623 7.603 7.975 1.00 24.40 O HETATM 1320 O HOH 11 17.302 -1.510 25.310 1.00 22.98 O HETATM 1321 O HOH 12 21.116 -7.852 22.877 1.00 19.94 O HETATM 1322 O HOH 13 15.803 7.687 15.663 1.00 13.38 O HETATM 1323 O HOH 14 7.562 -1.023 18.365 1.00 15.12 O HETATM 1324 O HOH 15 9.783 10.167 17.403 1.00 12.10 O HETATM 1325 O HOH 16 13.242 -4.111 26.395 1.00 22.87 O HETATM 1326 O HOH 17 22.332 -5.674 17.435 1.00 17.44 O HETATM 1327 O HOH 18 19.451 -17.292 6.295 1.00 26.65 O HETATM 1328 O HOH 19 -7.475 26.119 8.351 1.00 35.64 O HETATM 1329 O HOH 20 0.169 28.272 8.419 1.00 29.08 O HETATM 1330 O HOH 21 8.659 5.530 18.814 1.00 16.77 O HETATM 1331 O HOH 22 16.052 11.604 19.995 1.00 34.86 O HETATM 1332 O HOH 23 9.019 7.100 7.443 1.00 7.89 O HETATM 1333 O HOH 24 -2.744 -2.776 4.732 1.00 18.27 O HETATM 1334 O HOH 25 22.182 0.155 23.295 1.00 20.58 O HETATM 1335 O HOH 26 -3.240 0.382 -1.414 1.00 13.56 O HETATM 1336 O HOH 27 23.995 6.470 15.190 1.00 24.80 O HETATM 1337 O HOH 28 -5.463 8.891 3.129 1.00 30.99 O HETATM 1338 O HOH 29 -4.731 -2.229 1.173 1.00 15.18 O HETATM 1339 O HOH 30 14.511 -13.818 0.151 1.00 41.59 O HETATM 1340 O HOH 31 23.037 4.690 11.321 1.00 13.03 O HETATM 1341 O HOH 32 6.022 5.980 11.694 1.00 9.96 O HETATM 1342 O HOH 33 13.216 12.851 8.875 1.00 18.73 O HETATM 1343 O HOH 34 13.605 11.030 0.813 1.00 37.98 O HETATM 1344 O HOH 35 -5.479 12.274 8.358 1.00 34.83 O HETATM 1345 O HOH 36 7.740 5.255 8.916 1.00 12.04 O HETATM 1346 O HOH 37 -4.837 1.802 5.497 1.00 9.87 O HETATM 1347 O HOH 38 5.302 4.091 8.696 1.00 10.49 O HETATM 1348 O HOH 39 24.221 3.757 15.208 1.00 16.15 O HETATM 1349 O HOH 40 11.855 0.699 22.724 1.00 31.36 O HETATM 1350 O HOH 41 27.905 -1.770 15.643 1.00 24.98 O HETATM 1351 O HOH 42 -7.214 5.385 -1.139 1.00 25.52 O HETATM 1352 O HOH 43 1.664 0.803 15.118 1.00 11.18 O HETATM 1353 O HOH 44 1.792 -11.536 -3.010 1.00 32.13 O HETATM 1354 O HOH 45 1.733 4.419 16.611 1.00 11.58 O HETATM 1355 O HOH 46 10.163 7.497 13.470 1.00 8.01 O HETATM 1356 O HOH 47 11.268 18.131 18.387 1.00 24.73 O HETATM 1357 O HOH 48 11.227 12.703 14.563 1.00 10.46 O HETATM 1358 O HOH 49 22.979 9.394 11.334 1.00 25.47 O HETATM 1359 O HOH 50 8.091 19.875 17.979 1.00 20.96 O HETATM 1360 O HOH 51 16.219 -5.304 -2.160 1.00 27.50 O HETATM 1361 O HOH 52 -5.935 8.904 5.803 1.00 33.35 O HETATM 1362 O HOH 53 2.080 11.496 -1.168 1.00 24.82 O HETATM 1363 O HOH 54 12.758 10.302 21.583 1.00 26.29 O HETATM 1364 O HOH 55 25.909 -5.426 0.213 1.00 22.18 O HETATM 1365 O HOH 56 2.817 21.124 6.854 1.00 15.76 O HETATM 1366 O HOH 57 10.118 12.226 6.368 1.00 15.00 O HETATM 1367 O HOH 58 10.442 14.128 12.258 1.00 12.15 O HETATM 1368 O HOH 59 0.149 22.349 13.680 1.00 25.97 O HETATM 1369 O HOH 60 -1.589 8.574 1.787 1.00 26.09 O HETATM 1370 O HOH 61 13.032 16.022 15.220 1.00 30.26 O HETATM 1371 O HOH 62 4.337 -3.783 16.896 1.00 30.93 O HETATM 1372 O HOH 63 1.960 14.313 1.488 1.00 30.17 O HETATM 1373 O HOH 64 13.019 -3.507 -5.351 1.00 24.84 O HETATM 1374 O HOH 65 2.829 -0.512 17.371 1.00 27.13 O HETATM 1375 O HOH 66 11.409 20.066 9.408 1.00 24.90 O HETATM 1376 O HOH 67 8.332 8.106 11.462 1.00 12.07 O HETATM 1377 O HOH 68 10.892 -10.555 23.627 1.00 25.37 O HETATM 1378 O HOH 69 -3.665 21.438 8.002 1.00 23.69 O HETATM 1379 O HOH 70 12.215 6.253 21.984 1.00 25.65 O HETATM 1380 O HOH 71 -7.318 5.473 7.866 1.00 25.29 O HETATM 1381 O HOH 72 6.941 -7.962 -1.947 1.00 24.62 O HETATM 1382 O HOH 73 14.986 -2.975 23.587 1.00 22.91 O HETATM 1383 O HOH 74 -2.482 7.252 -3.194 1.00 22.64 O HETATM 1384 O HOH 75 -8.922 3.708 0.418 1.00 18.16 O HETATM 1385 O HOH 76 16.762 2.743 -1.422 1.00 26.13 O HETATM 1386 O HOH 77 20.177 -5.197 19.051 1.00 13.74 O HETATM 1387 O HOH 78 13.869 3.120 -2.181 1.00 19.26 O HETATM 1388 O HOH 79 -0.915 5.327 17.131 1.00 20.19 O HETATM 1389 O HOH 80 5.501 -13.026 3.140 1.00 40.60 O HETATM 1390 O HOH 81 22.826 -5.639 -0.180 1.00 33.90 O HETATM 1391 O HOH 82 1.740 -7.223 3.501 1.00 26.77 O HETATM 1392 O HOH 83 0.104 -6.599 12.742 1.00 32.65 O HETATM 1393 O HOH 84 0.051 -6.152 9.470 1.00 33.19 O HETATM 1394 O HOH 85 2.028 -4.526 -2.421 1.00 29.30 O HETATM 1395 O HOH 86 -1.458 20.349 13.317 1.00 38.08 O HETATM 1396 O HOH 87 4.901 -6.682 10.369 1.00 26.81 O HETATM 1397 O HOH 88 10.577 -3.011 20.255 1.00 28.16 O HETATM 1398 O HOH 89 13.206 -13.244 19.897 1.00 21.73 O HETATM 1399 O HOH 90 20.384 4.897 10.251 1.00 21.46 O HETATM 1400 O HOH 91 8.965 20.649 14.059 1.00 24.31 O HETATM 1401 O HOH 92 23.970 -1.784 24.608 1.00 32.22 O HETATM 1402 O HOH 93 9.734 10.216 14.612 1.00 12.45 O HETATM 1403 O HOH 94 10.108 3.478 20.306 1.00 24.24 O HETATM 1404 O HOH 95 27.422 -5.279 5.760 1.00 39.89 O HETATM 1405 O HOH 96 -3.466 10.260 4.829 1.00 37.88 O HETATM 1406 O HOH 97 20.621 -6.797 -0.179 1.00 36.75 O HETATM 1407 O HOH 98 11.353 14.090 4.842 1.00 35.75 O HETATM 1408 O HOH 99 9.329 -8.444 23.827 1.00 32.75 O HETATM 1409 O HOH 100 5.078 -15.584 4.513 1.00 53.91 O HETATM 1410 O HOH 101 24.128 -8.200 16.894 1.00 33.12 O HETATM 1411 O HOH 102 14.869 13.060 2.213 1.00 43.37 O HETATM 1412 O HOH 103 19.675 1.925 -1.052 1.00 22.22 O HETATM 1413 O HOH 104 13.893 13.268 13.483 1.00 23.86 O HETATM 1414 O HOH 105 29.295 0.358 16.740 1.00 28.32 O HETATM 1415 O HOH 106 19.793 0.850 -3.598 1.00 34.07 O HETATM 1416 O HOH 107 7.983 22.881 4.385 1.00 28.26 O HETATM 1417 O HOH 108 -2.686 -2.141 11.121 1.00 24.18 O HETATM 1418 O HOH 109 12.469 14.911 10.917 1.00 30.45 O HETATM 1419 O HOH 110 14.352 -7.413 -2.369 1.00 38.05 O HETATM 1420 O HOH 111 27.235 -4.778 10.321 1.00 37.20 O HETATM 1421 O HOH 112 24.050 -1.822 7.524 1.00 24.19 O HETATM 1422 O HOH 113 -4.845 -0.957 5.150 1.00 14.91 O HETATM 1423 O HOH 114 25.762 -4.057 7.565 1.00 42.09 O HETATM 1424 O HOH 115 18.887 -6.500 -2.329 1.00 33.52 O HETATM 1425 CAV E A 0 5.732 9.690 -3.353 1.00 -0.03 C HETATM 1426 CAW E A 0 5.380 9.322 -4.776 1.00 0.03 C HETATM 1427 NAX E A 0 5.636 7.851 -4.864 1.00 -0.27 N HETATM 1428 CBA E A 0 6.685 7.303 -5.525 1.00 0.18 C HETATM 1429 OBC E A 0 7.483 7.956 -6.200 1.00 -0.40 O HETATM 1430 CBB E A 0 6.879 5.780 -5.529 1.00 0.03 C HETATM 1431 H5 E A 0 7.776 5.526 -6.112 1.00 0.05 H HETATM 1432 H6 E A 0 5.999 5.300 -5.982 1.00 0.05 H HETATM 1433 H7 E A 0 7.000 5.423 -4.496 1.00 0.05 H HETATM 1434 CAY E A 0 4.683 7.116 -3.977 1.00 0.03 C HETATM 1435 CAZ E A 0 4.969 7.435 -2.536 1.00 -0.03 C HETATM 1436 CAU E A 0 4.791 8.953 -2.365 1.00 -0.02 C HETATM 1437 CAT E A 0 5.084 9.291 -0.907 1.00 0.03 C HETATM 1438 NAS E A 0 4.726 10.711 -0.601 1.00 -0.25 N HETATM 1439 SAP E A 0 5.554 11.418 0.608 1.00 0.06 S HETATM 1440 OAQ E A 0 6.997 11.435 0.252 1.00 -0.15 O HETATM 1441 OAR E A 0 4.876 12.733 0.827 1.00 -0.15 O HETATM 1442 CAC E A 0 5.326 10.415 2.071 1.00 0.10 C HETATM 1443 CAB E A 0 6.446 9.857 2.648 1.00 -0.05 C HETATM 1444 CAA E A 0 6.382 9.049 3.776 1.00 -0.04 C HETATM 1445 CAF E A 0 5.168 8.802 4.332 1.00 0.08 C HETATM 1446 CAE E A 0 4.072 9.332 3.742 1.00 0.02 C HETATM 1447 CAD E A 0 4.071 10.132 2.656 1.00 0.00 C HETATM 1448 CAG E A 0 2.814 10.606 2.178 1.00 -0.05 C HETATM 1449 CAH E A 0 1.653 10.216 2.873 1.00 -0.05 C HETATM 1450 CAI E A 0 1.762 9.367 3.987 1.00 -0.04 C HETATM 1451 CAJ E A 0 2.979 8.942 4.427 1.00 0.06 C HETATM 1452 CAL E A 0 3.443 8.111 5.425 1.00 0.23 C HETATM 1453 OAM E A 0 2.778 7.411 6.221 1.00 -0.37 O HETATM 1454 NAK E A 0 4.767 8.039 5.364 1.00 -0.22 N HETATM 1455 CAN E A 0 5.645 7.248 6.237 1.00 0.05 C HETATM 1456 CAO E A 0 5.853 5.837 5.652 1.00 -0.04 C HETATM 1457 H23 E A 0 6.512 5.258 6.316 1.00 0.03 H HETATM 1458 H24 E A 0 6.315 5.917 4.657 1.00 0.03 H HETATM 1459 H25 E A 0 4.881 5.329 5.566 1.00 0.03 H HETATM 1460 H21 E A 0 5.186 7.163 7.233 1.00 0.06 H HETATM 1461 H22 E A 0 6.619 7.752 6.324 1.00 0.06 H HETATM 1462 H20 E A 0 0.865 9.046 4.504 1.00 0.07 H HETATM 1463 H19 E A 0 0.680 10.569 2.550 1.00 0.06 H HETATM 1464 H18 E A 0 2.754 11.247 1.306 1.00 0.07 H HETATM 1465 H17 E A 0 7.283 8.624 4.204 1.00 0.05 H HETATM 1466 H16 E A 0 7.415 10.056 2.204 1.00 0.06 H HETATM 1467 H15 E A 0 4.017 11.198 -1.111 1.00 0.17 H HETATM 1468 H13 E A 0 6.156 9.141 -0.712 1.00 0.05 H HETATM 1469 H14 E A 0 4.496 8.625 -0.259 1.00 0.05 H HETATM 1470 H12 E A 0 3.752 9.232 -2.594 1.00 0.03 H HETATM 1471 H10 E A 0 5.999 7.145 -2.283 1.00 0.03 H HETATM 1472 H11 E A 0 4.266 6.897 -1.884 1.00 0.03 H HETATM 1473 H8 E A 0 4.795 6.034 -4.139 1.00 0.05 H HETATM 1474 H9 E A 0 3.653 7.418 -4.219 1.00 0.05 H HETATM 1475 H3 E A 0 6.017 9.869 -5.487 1.00 0.05 H HETATM 1476 H4 E A 0 4.323 9.544 -4.984 1.00 0.05 H HETATM 1477 H1 E A 0 5.621 10.776 -3.220 1.00 0.03 H HETATM 1478 H2 E A 0 6.773 9.400 -3.149 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1425 1426 1436 1477 1478 CONECT 1426 1425 1427 1475 1476 CONECT 1427 1426 1428 1434 CONECT 1428 1427 1429 1430 CONECT 1429 1428 CONECT 1430 1428 1431 1432 1433 CONECT 1431 1430 CONECT 1432 1430 CONECT 1433 1430 CONECT 1434 1427 1435 1473 1474 CONECT 1435 1434 1436 1471 1472 CONECT 1436 1425 1435 1437 1470 CONECT 1437 1436 1438 1468 1469 CONECT 1438 1437 1439 1467 CONECT 1439 1438 1440 1441 1442 CONECT 1440 1439 CONECT 1441 1439 CONECT 1442 1439 1443 1447 CONECT 1443 1442 1444 1466 CONECT 1444 1443 1445 1465 CONECT 1445 1444 1446 1454 CONECT 1446 1445 1447 1451 CONECT 1447 1442 1446 1448 CONECT 1448 1447 1449 1464 CONECT 1449 1448 1450 1463 CONECT 1450 1449 1451 1462 CONECT 1451 1446 1450 1452 CONECT 1452 1451 1453 1454 CONECT 1453 1452 CONECT 1454 1445 1452 1455 CONECT 1455 1454 1456 1460 1461 CONECT 1456 1455 1457 1458 1459 CONECT 1457 1456 CONECT 1458 1456 CONECT 1459 1456 CONECT 1460 1455 CONECT 1461 1455 CONECT 1462 1450 CONECT 1463 1449 CONECT 1464 1448 CONECT 1465 1444 CONECT 1466 1443 CONECT 1467 1438 CONECT 1468 1437 CONECT 1469 1437 CONECT 1470 1436 CONECT 1471 1435 CONECT 1472 1435 CONECT 1473 1434 CONECT 1474 1434 CONECT 1475 1426 CONECT 1476 1426 CONECT 1477 1425 CONECT 1478 1425 MASTER 0 0 0 0 0 0 0 0 1477 1 58 10 END
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PDBbind
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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
5d0c
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Bromodomain-containing protein 4
Ligand Name
E0B
EC.Number
E.C.-.-.-.-
Resolution
1.49(Å)
Affinity (Kd/Ki/IC50)
Kd=2.340uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 1565-1579
Ligand Properties
Formula
C
2
1
H
2
5
N
3
O
4
S
Molecular Weight
415.506
Exact Mass
415.157
No. of atoms
54
No. of bonds
57
Polar Surface Area
96.86
LOGP Value
1.84 (
Computed with XLOGP3
)
3.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 4
Canonical SMILES
CCn1c2ccc(c3c2c(c1=O)ccc3)S(=O)(=O)NCC1CCN(CC1)C(=O)C
InChI String
InChI=1S/C21H25N3O4S/c1-3-24-18-7-8-19(16-5-4-6-17(20(16)18)21(24)26)29(27,28)22-13-15-9-11-23(12-10-15)14(2)25/h4-8,15,22H,3,9-13H2,1-2H3
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):
O60885
Entrez Gene ID
NCBI Entrez Gene ID:
23476
ASD
Information of known allosteric effects of PDB entries
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