Browse entries in the PDBbind-CN Database
HEADER 3TKZ_COMPLEX COMPND 3TKZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 100 ARG ARG TRP PHE HIS PRO ASN ILE THR GLY VAL GLU ALA SEQRES 2 A 100 GLU ASN LEU LEU LEU THR ARG GLY VAL ASP GLY SER PHE SEQRES 3 A 100 LEU ALA ARG PRO SER LYS SER ASN PRO GLY ASP PHE THR SEQRES 4 A 100 LEU SER VAL ARG ARG ASN GLY ALA VAL THR HIS ILE LYS SEQRES 5 A 100 ILE GLN ASN THR GLY ASP TYR TYR ASP LEU TYR GLY GLY SEQRES 6 A 100 GLU LYS PHE ALA THR LEU ALA GLU LEU VAL GLN TYR TYR SEQRES 7 A 100 MET GLU HIS HIS GLY GLN LEU LYS GLU LYS ASN GLY ASP SEQRES 8 A 100 VAL ILE GLU LEU LYS TYR PRO LEU ASN HET VAL A 182 131 ATOM 1 N ARG A 4 4.467 24.531 4.947 1.00 54.73 N ATOM 2 CA ARG A 4 3.596 24.289 6.165 1.00 53.09 C ATOM 3 C ARG A 4 2.127 23.891 5.737 1.00 55.23 C ATOM 4 O ARG A 4 1.946 23.436 4.581 1.00 58.52 O ATOM 5 CB ARG A 4 3.702 25.457 7.139 1.00 52.08 C ATOM 6 HA ARG A 4 3.961 23.426 6.722 1.00 0.00 H ATOM 7 HB2 ARG A 4 4.738 25.568 7.460 1.00 0.00 H ATOM 8 HB3 ARG A 4 3.374 26.371 6.645 1.00 0.00 H ATOM 9 HN3 ARG A 4 4.062 25.304 4.381 1.00 0.00 H ATOM 10 HN2 ARG A 4 4.508 23.664 4.374 1.00 0.00 H ATOM 11 HN1 ARG A 4 5.426 24.791 5.254 1.00 0.00 H ATOM 12 N ARG A 5 1.084 24.027 6.560 1.00 53.76 N ATOM 13 CA ARG A 5 1.010 24.831 7.735 1.00 50.66 C ATOM 14 C ARG A 5 1.477 24.169 9.037 1.00 44.72 C ATOM 15 O ARG A 5 1.115 24.696 10.082 1.00 44.20 O ATOM 16 CB ARG A 5 -0.433 25.231 7.902 1.00 56.46 C ATOM 17 CG ARG A 5 -0.759 26.706 7.606 1.00 66.28 C ATOM 18 CD ARG A 5 -1.229 27.414 8.923 1.00 72.57 C ATOM 19 NE ARG A 5 -0.101 27.722 9.844 1.00 72.10 N ATOM 20 CZ ARG A 5 -0.177 27.668 11.176 1.00 68.71 C ATOM 21 NH1 ARG A 5 -1.323 27.296 11.745 1.00 70.73 N ATOM 22 NH2 ARG A 5 0.876 28.006 11.923 1.00 60.32 N ATOM 23 HA ARG A 5 1.696 25.664 7.580 1.00 0.00 H ATOM 24 HB2 ARG A 5 -1.031 24.615 7.230 1.00 0.00 H ATOM 25 HB3 ARG A 5 -0.720 25.025 8.933 1.00 0.00 H ATOM 26 HG2 ARG A 5 0.131 27.205 7.223 1.00 0.00 H ATOM 27 HG3 ARG A 5 -1.553 26.760 6.861 1.00 0.00 H ATOM 28 HD2 ARG A 5 -1.932 26.760 9.439 1.00 0.00 H ATOM 29 HD3 ARG A 5 -1.728 28.346 8.659 1.00 0.00 H ATOM 30 HE ARG A 5 0.808 27.998 9.421 1.00 0.00 H ATOM 31 HH12 ARG A 5 -1.398 27.249 12.781 1.00 0.00 H ATOM 32 HH11 ARG A 5 -2.143 27.053 11.153 1.00 0.00 H ATOM 33 HH22 ARG A 5 0.813 27.963 12.960 1.00 0.00 H ATOM 34 HH21 ARG A 5 1.759 28.313 11.468 1.00 0.00 H ATOM 35 H ARG A 5 0.230 23.486 6.316 1.00 0.00 H ATOM 36 N TRP A 6 2.275 23.071 8.985 1.00 37.98 N ATOM 37 CA TRP A 6 2.868 22.469 10.217 1.00 34.48 C ATOM 38 C TRP A 6 3.908 23.423 10.792 1.00 32.15 C ATOM 39 O TRP A 6 4.462 23.210 11.890 1.00 30.40 O ATOM 40 CB TRP A 6 3.540 21.115 9.945 1.00 33.18 C ATOM 41 CG TRP A 6 4.306 21.072 8.608 1.00 30.87 C ATOM 42 CD1 TRP A 6 3.878 20.507 7.440 1.00 32.09 C ATOM 43 CD2 TRP A 6 5.588 21.628 8.338 1.00 27.48 C ATOM 44 NE1 TRP A 6 4.817 20.674 6.445 1.00 34.03 N ATOM 45 CE2 TRP A 6 5.890 21.349 6.980 1.00 31.55 C ATOM 46 CE3 TRP A 6 6.537 22.271 9.124 1.00 26.67 C ATOM 47 CZ2 TRP A 6 7.079 21.766 6.365 1.00 31.88 C ATOM 48 CZ3 TRP A 6 7.752 22.686 8.507 1.00 26.91 C ATOM 49 CH2 TRP A 6 8.004 22.418 7.148 1.00 29.96 C ATOM 50 HA TRP A 6 2.053 22.303 10.921 1.00 0.00 H ATOM 51 HB2 TRP A 6 4.242 20.908 10.753 1.00 0.00 H ATOM 52 HB3 TRP A 6 2.770 20.344 9.928 1.00 0.00 H ATOM 53 HE1 TRP A 6 4.730 20.347 5.462 1.00 0.00 H ATOM 54 HD1 TRP A 6 2.925 19.994 7.313 1.00 0.00 H ATOM 55 HZ2 TRP A 6 7.264 21.581 5.307 1.00 0.00 H ATOM 56 HH2 TRP A 6 8.950 22.733 6.708 1.00 0.00 H ATOM 57 HZ3 TRP A 6 8.498 23.219 9.096 1.00 0.00 H ATOM 58 HE3 TRP A 6 6.356 22.453 10.183 1.00 0.00 H ATOM 59 H TRP A 6 2.479 22.637 8.062 1.00 0.00 H ATOM 60 N PHE A 7 4.256 24.446 10.010 1.00 31.75 N ATOM 61 CA PHE A 7 5.258 25.405 10.483 1.00 30.57 C ATOM 62 C PHE A 7 4.600 26.566 11.270 1.00 32.90 C ATOM 63 O PHE A 7 3.734 27.290 10.720 1.00 34.19 O ATOM 64 CB PHE A 7 6.041 25.986 9.298 1.00 32.38 C ATOM 65 CG PHE A 7 7.109 26.976 9.693 1.00 35.84 C ATOM 66 CD1 PHE A 7 8.242 26.555 10.373 1.00 36.38 C ATOM 67 CD2 PHE A 7 6.991 28.333 9.329 1.00 38.77 C ATOM 68 CE1 PHE A 7 9.242 27.500 10.732 1.00 42.69 C ATOM 69 CE2 PHE A 7 7.993 29.277 9.654 1.00 42.17 C ATOM 70 CZ PHE A 7 9.101 28.868 10.371 1.00 39.85 C ATOM 71 HA PHE A 7 5.935 24.869 11.148 1.00 0.00 H ATOM 72 HB2 PHE A 7 6.517 25.163 8.765 1.00 0.00 H ATOM 73 HB3 PHE A 7 5.337 26.488 8.635 1.00 0.00 H ATOM 74 HD2 PHE A 7 6.106 28.663 8.784 1.00 0.00 H ATOM 75 HE2 PHE A 7 7.892 30.317 9.342 1.00 0.00 H ATOM 76 HZ PHE A 7 9.864 29.591 10.659 1.00 0.00 H ATOM 77 HE1 PHE A 7 10.122 27.174 11.287 1.00 0.00 H ATOM 78 HD1 PHE A 7 8.366 25.503 10.631 1.00 0.00 H ATOM 79 H PHE A 7 3.820 24.562 9.073 1.00 0.00 H ATOM 80 N HIS A 8 5.061 26.785 12.503 1.00 33.38 N ATOM 81 CA HIS A 8 4.496 27.857 13.336 1.00 38.12 C ATOM 82 C HIS A 8 5.628 28.847 13.635 1.00 40.67 C ATOM 83 O HIS A 8 6.450 28.574 14.510 1.00 41.93 O ATOM 84 CB HIS A 8 3.929 27.304 14.626 1.00 38.14 C ATOM 85 CG HIS A 8 2.726 26.414 14.432 1.00 38.06 C ATOM 86 ND1 HIS A 8 1.487 26.714 14.962 1.00 39.40 N ATOM 87 CD2 HIS A 8 2.568 25.268 13.718 1.00 33.40 C ATOM 88 CE1 HIS A 8 0.630 25.751 14.640 1.00 37.66 C ATOM 89 NE2 HIS A 8 1.264 24.862 13.885 1.00 35.89 N ATOM 90 HA HIS A 8 3.677 28.348 12.810 1.00 0.00 H ATOM 91 HB2 HIS A 8 4.708 26.726 15.124 1.00 0.00 H ATOM 92 HB3 HIS A 8 3.638 28.141 15.260 1.00 0.00 H ATOM 93 HD2 HIS A 8 3.331 24.765 13.124 1.00 0.00 H ATOM 94 HE1 HIS A 8 -0.415 25.700 14.944 1.00 0.00 H ATOM 95 H HIS A 8 5.828 26.191 12.879 1.00 0.00 H ATOM 96 N PRO A 9 5.694 29.954 12.902 1.00 44.65 N ATOM 97 CA PRO A 9 6.875 30.829 13.056 1.00 48.62 C ATOM 98 C PRO A 9 7.038 31.537 14.431 1.00 53.50 C ATOM 99 O PRO A 9 8.134 32.023 14.752 1.00 56.17 O ATOM 100 CB PRO A 9 6.638 31.926 12.012 1.00 51.95 C ATOM 101 CG PRO A 9 5.153 31.971 11.828 1.00 51.94 C ATOM 102 CD PRO A 9 4.691 30.526 11.993 1.00 46.24 C ATOM 103 HA PRO A 9 7.771 30.218 12.952 1.00 0.00 H ATOM 104 HD3 PRO A 9 3.694 30.482 12.432 1.00 0.00 H ATOM 105 HD2 PRO A 9 4.688 30.005 11.036 1.00 0.00 H ATOM 106 HG3 PRO A 9 4.901 32.343 10.835 1.00 0.00 H ATOM 107 HG2 PRO A 9 4.692 32.609 12.582 1.00 0.00 H ATOM 108 HB2 PRO A 9 7.009 32.885 12.373 1.00 0.00 H ATOM 109 HB3 PRO A 9 7.133 31.676 11.074 1.00 0.00 H ATOM 110 N ASN A 10 5.979 31.638 15.218 1.00 55.44 N ATOM 111 CA ASN A 10 6.058 32.520 16.402 1.00 60.63 C ATOM 112 C ASN A 10 5.721 31.880 17.722 1.00 59.90 C ATOM 113 O ASN A 10 5.225 32.564 18.641 1.00 63.72 O ATOM 114 CB ASN A 10 5.122 33.696 16.236 1.00 65.12 C ATOM 115 CG ASN A 10 5.620 34.680 15.236 1.00 71.76 C ATOM 116 OD1 ASN A 10 4.824 35.272 14.515 1.00 79.81 O ATOM 117 ND2 ASN A 10 6.946 34.877 15.176 1.00 74.70 N ATOM 118 HA ASN A 10 7.109 32.806 16.441 1.00 0.00 H ATOM 119 HB2 ASN A 10 4.150 33.327 15.910 1.00 0.00 H ATOM 120 HB3 ASN A 10 5.015 34.197 17.198 1.00 0.00 H ATOM 121 HD22 ASN A 10 7.579 34.349 15.810 1.00 0.00 H ATOM 122 HD21 ASN A 10 7.340 35.557 14.495 1.00 0.00 H ATOM 123 H ASN A 10 5.109 31.108 15.008 1.00 0.00 H ATOM 124 N ILE A 11 5.958 30.578 17.844 1.00 60.00 N ATOM 125 CA ILE A 11 5.719 29.952 19.131 1.00 57.85 C ATOM 126 C ILE A 11 6.974 29.435 19.805 1.00 56.27 C ATOM 127 O ILE A 11 7.980 29.098 19.180 1.00 54.83 O ATOM 128 CB ILE A 11 4.625 28.849 19.081 1.00 56.44 C ATOM 129 CG1 ILE A 11 5.009 27.753 18.092 1.00 52.77 C ATOM 130 CG2 ILE A 11 3.232 29.470 18.792 1.00 58.71 C ATOM 131 CD1 ILE A 11 4.171 26.508 18.306 1.00 54.01 C ATOM 132 HA ILE A 11 5.340 30.763 19.753 1.00 0.00 H ATOM 133 HB ILE A 11 4.554 28.372 20.059 1.00 0.00 H ATOM 134 HG12 ILE A 11 4.852 28.118 17.077 1.00 0.00 H ATOM 135 HG13 ILE A 11 6.061 27.502 18.228 1.00 0.00 H ATOM 136 HD11 ILE A 11 4.328 26.136 19.318 1.00 0.00 H ATOM 137 HD12 ILE A 11 3.118 26.752 18.166 1.00 0.00 H ATOM 138 HD13 ILE A 11 4.467 25.744 17.587 1.00 0.00 H ATOM 139 HG21 ILE A 11 2.981 30.180 19.580 1.00 0.00 H ATOM 140 HG22 ILE A 11 3.257 29.985 17.832 1.00 0.00 H ATOM 141 HG23 ILE A 11 2.482 28.679 18.762 1.00 0.00 H ATOM 142 H ILE A 11 6.306 30.022 17.037 1.00 0.00 H ATOM 143 N THR A 12 6.862 29.414 21.114 1.00 56.68 N ATOM 144 CA THR A 12 7.822 28.819 22.012 1.00 57.90 C ATOM 145 C THR A 12 7.566 27.301 22.148 1.00 55.52 C ATOM 146 O THR A 12 6.504 26.804 21.699 1.00 53.20 O ATOM 147 CB THR A 12 7.724 29.543 23.406 1.00 60.74 C ATOM 148 OG1 THR A 12 6.459 29.277 24.029 1.00 61.33 O ATOM 149 CG2 THR A 12 7.833 31.083 23.233 1.00 63.65 C ATOM 150 HA THR A 12 8.830 28.943 21.616 1.00 0.00 H ATOM 151 HB THR A 12 8.541 29.166 24.020 1.00 0.00 H ATOM 152 HG1 THR A 12 6.419 29.741 24.903 1.00 0.00 H ATOM 153 HG23 THR A 12 8.784 31.328 22.761 1.00 0.00 H ATOM 154 HG21 THR A 12 7.014 31.436 22.607 1.00 0.00 H ATOM 155 HG22 THR A 12 7.777 31.562 24.211 1.00 0.00 H ATOM 156 H THR A 12 6.020 29.858 21.533 1.00 0.00 H ATOM 157 N GLY A 13 8.515 26.578 22.763 1.00 54.94 N ATOM 158 CA GLY A 13 8.340 25.155 23.087 1.00 52.01 C ATOM 159 C GLY A 13 7.160 24.909 24.032 1.00 51.92 C ATOM 160 O GLY A 13 6.329 24.000 23.790 1.00 48.64 O ATOM 161 HA3 GLY A 13 9.251 24.790 23.562 1.00 0.00 H ATOM 162 HA2 GLY A 13 8.168 24.604 22.162 1.00 0.00 H ATOM 163 H GLY A 13 9.409 27.043 23.020 1.00 0.00 H ATOM 164 N VAL A 14 7.075 25.727 25.083 1.00 54.05 N ATOM 165 CA VAL A 14 5.883 25.782 25.942 1.00 55.30 C ATOM 166 C VAL A 14 4.556 25.935 25.171 1.00 52.79 C ATOM 167 O VAL A 14 3.627 25.133 25.374 1.00 50.91 O ATOM 168 CB VAL A 14 5.959 26.941 27.015 1.00 59.04 C ATOM 169 CG1 VAL A 14 4.619 27.108 27.732 1.00 61.65 C ATOM 170 CG2 VAL A 14 7.077 26.686 27.989 1.00 64.64 C ATOM 171 HA VAL A 14 5.885 24.811 26.437 1.00 0.00 H ATOM 172 HB VAL A 14 6.173 27.877 26.499 1.00 0.00 H ATOM 173 HG11 VAL A 14 3.847 27.354 27.003 1.00 0.00 H ATOM 174 HG12 VAL A 14 4.360 26.178 28.237 1.00 0.00 H ATOM 175 HG13 VAL A 14 4.698 27.911 28.465 1.00 0.00 H ATOM 176 HG21 VAL A 14 6.902 25.740 28.501 1.00 0.00 H ATOM 177 HG22 VAL A 14 8.023 26.639 27.450 1.00 0.00 H ATOM 178 HG23 VAL A 14 7.113 27.495 28.719 1.00 0.00 H ATOM 179 H VAL A 14 7.880 26.347 25.302 1.00 0.00 H ATOM 180 N GLU A 15 4.473 26.961 24.316 1.00 52.63 N ATOM 181 CA GLU A 15 3.274 27.271 23.529 1.00 52.10 C ATOM 182 C GLU A 15 2.919 26.134 22.569 1.00 47.99 C ATOM 183 O GLU A 15 1.730 25.891 22.320 1.00 46.44 O ATOM 184 CB GLU A 15 3.456 28.567 22.740 1.00 54.11 C ATOM 185 CG GLU A 15 3.012 29.838 23.524 1.00 62.52 C ATOM 186 CD GLU A 15 3.664 31.144 23.006 1.00 69.30 C ATOM 187 OE1 GLU A 15 4.286 31.860 23.835 1.00 76.77 O ATOM 188 OE2 GLU A 15 3.556 31.464 21.790 1.00 67.80 O ATOM 189 HA GLU A 15 2.454 27.395 24.236 1.00 0.00 H ATOM 190 HB2 GLU A 15 4.510 28.670 22.483 1.00 0.00 H ATOM 191 HB3 GLU A 15 2.866 28.501 21.826 1.00 0.00 H ATOM 192 HG2 GLU A 15 1.930 29.935 23.439 1.00 0.00 H ATOM 193 HG3 GLU A 15 3.283 29.709 24.572 1.00 0.00 H ATOM 194 H GLU A 15 5.306 27.574 24.203 1.00 0.00 H ATOM 195 N ALA A 16 3.954 25.491 22.009 1.00 45.65 N ATOM 196 CA ALA A 16 3.800 24.286 21.196 1.00 42.03 C ATOM 197 C ALA A 16 3.253 23.121 21.986 1.00 41.18 C ATOM 198 O ALA A 16 2.400 22.372 21.462 1.00 37.81 O ATOM 199 CB ALA A 16 5.107 23.904 20.536 1.00 41.22 C ATOM 200 HA ALA A 16 3.070 24.526 20.423 1.00 0.00 H ATOM 201 HB1 ALA A 16 5.440 24.719 19.893 1.00 0.00 H ATOM 202 HB2 ALA A 16 5.858 23.714 21.303 1.00 0.00 H ATOM 203 HB3 ALA A 16 4.961 23.004 19.938 1.00 0.00 H ATOM 204 H ALA A 16 4.912 25.867 22.160 1.00 0.00 H ATOM 205 N GLU A 17 3.745 22.936 23.211 1.00 43.08 N ATOM 206 CA GLU A 17 3.197 21.930 24.133 1.00 45.15 C ATOM 207 C GLU A 17 1.731 22.176 24.369 1.00 44.19 C ATOM 208 O GLU A 17 0.932 21.268 24.267 1.00 42.12 O ATOM 209 CB GLU A 17 3.987 21.827 25.476 1.00 49.72 C ATOM 210 CG GLU A 17 5.142 20.790 25.291 1.00 55.16 C ATOM 211 CD GLU A 17 6.270 20.775 26.319 1.00 64.66 C ATOM 212 OE1 GLU A 17 6.445 21.776 27.071 1.00 70.82 O ATOM 213 OE2 GLU A 17 7.003 19.733 26.358 1.00 63.72 O ATOM 214 HA GLU A 17 3.315 20.960 23.649 1.00 0.00 H ATOM 215 HB2 GLU A 17 4.404 22.801 25.734 1.00 0.00 H ATOM 216 HB3 GLU A 17 3.319 21.497 26.272 1.00 0.00 H ATOM 217 HG2 GLU A 17 4.690 19.798 25.293 1.00 0.00 H ATOM 218 HG3 GLU A 17 5.594 20.980 24.318 1.00 0.00 H ATOM 219 H GLU A 17 4.544 23.523 23.525 1.00 0.00 H ATOM 220 N ASN A 18 1.378 23.421 24.653 1.00 46.08 N ATOM 221 CA ASN A 18 0.008 23.727 24.995 1.00 46.62 C ATOM 222 C ASN A 18 -0.889 23.443 23.828 1.00 43.38 C ATOM 223 O ASN A 18 -1.931 22.875 24.004 1.00 43.06 O ATOM 224 CB ASN A 18 -0.111 25.181 25.468 1.00 50.39 C ATOM 225 CG ASN A 18 0.637 25.421 26.767 1.00 54.67 C ATOM 226 OD1 ASN A 18 0.956 24.479 27.515 1.00 56.70 O ATOM 227 ND2 ASN A 18 0.971 26.677 27.022 1.00 60.87 N ATOM 228 HA ASN A 18 -0.310 23.089 25.820 1.00 0.00 H ATOM 229 HB2 ASN A 18 0.299 25.836 24.699 1.00 0.00 H ATOM 230 HB3 ASN A 18 -1.164 25.417 25.620 1.00 0.00 H ATOM 231 HD22 ASN A 18 0.684 27.434 26.370 1.00 0.00 H ATOM 232 HD21 ASN A 18 1.521 26.906 27.875 1.00 0.00 H ATOM 233 H ASN A 18 2.089 24.180 24.630 1.00 0.00 H ATOM 234 N LEU A 19 -0.436 23.775 22.619 1.00 40.48 N ATOM 235 CA LEU A 19 -1.203 23.523 21.408 1.00 39.15 C ATOM 236 C LEU A 19 -1.379 22.039 21.106 1.00 35.31 C ATOM 237 O LEU A 19 -2.491 21.581 20.740 1.00 32.89 O ATOM 238 CB LEU A 19 -0.475 24.205 20.259 1.00 39.83 C ATOM 239 CG LEU A 19 -1.202 24.674 19.005 1.00 46.81 C ATOM 240 CD1 LEU A 19 -2.514 25.370 19.370 1.00 54.73 C ATOM 241 CD2 LEU A 19 -0.245 25.710 18.322 1.00 51.13 C ATOM 242 HA LEU A 19 -2.209 23.921 21.545 1.00 0.00 H ATOM 243 HB2 LEU A 19 0.003 25.088 20.682 1.00 0.00 H ATOM 244 HB3 LEU A 19 0.290 23.504 19.924 1.00 0.00 H ATOM 245 HG LEU A 19 -1.441 23.833 18.354 1.00 0.00 H ATOM 246 HD21 LEU A 19 -0.060 26.538 19.006 1.00 0.00 H ATOM 247 HD22 LEU A 19 0.699 25.223 18.075 1.00 0.00 H ATOM 248 HD23 LEU A 19 -0.710 26.087 17.411 1.00 0.00 H ATOM 249 HD11 LEU A 19 -3.155 24.674 19.910 1.00 0.00 H ATOM 250 HD12 LEU A 19 -2.302 26.234 20.000 1.00 0.00 H ATOM 251 HD13 LEU A 19 -3.016 25.697 18.459 1.00 0.00 H ATOM 252 H LEU A 19 0.496 24.229 22.538 1.00 0.00 H ATOM 253 N LEU A 20 -0.288 21.278 21.213 1.00 32.10 N ATOM 254 CA LEU A 20 -0.332 19.846 20.901 1.00 30.73 C ATOM 255 C LEU A 20 -1.226 19.100 21.928 1.00 30.56 C ATOM 256 O LEU A 20 -1.902 18.134 21.565 1.00 30.31 O ATOM 257 CB LEU A 20 1.093 19.274 20.906 1.00 30.06 C ATOM 258 CG LEU A 20 1.847 19.726 19.634 1.00 29.28 C ATOM 259 CD1 LEU A 20 3.326 19.445 19.864 1.00 29.98 C ATOM 260 CD2 LEU A 20 1.334 18.960 18.418 1.00 27.42 C ATOM 261 HA LEU A 20 -0.764 19.706 19.910 1.00 0.00 H ATOM 262 HB2 LEU A 20 1.624 19.633 21.788 1.00 0.00 H ATOM 263 HB3 LEU A 20 1.046 18.185 20.931 1.00 0.00 H ATOM 264 HG LEU A 20 1.687 20.787 19.442 1.00 0.00 H ATOM 265 HD21 LEU A 20 1.494 17.892 18.568 1.00 0.00 H ATOM 266 HD22 LEU A 20 0.269 19.154 18.291 1.00 0.00 H ATOM 267 HD23 LEU A 20 1.873 19.288 17.529 1.00 0.00 H ATOM 268 HD11 LEU A 20 3.670 20.005 20.734 1.00 0.00 H ATOM 269 HD12 LEU A 20 3.469 18.378 20.037 1.00 0.00 H ATOM 270 HD13 LEU A 20 3.894 19.751 18.985 1.00 0.00 H ATOM 271 H LEU A 20 0.607 21.707 21.522 1.00 0.00 H ATOM 272 N LEU A 21 -1.195 19.567 23.181 1.00 32.18 N ATOM 273 CA LEU A 21 -1.933 18.903 24.239 1.00 33.99 C ATOM 274 C LEU A 21 -3.408 19.201 24.128 1.00 33.17 C ATOM 275 O LEU A 21 -4.216 18.409 24.590 1.00 36.37 O ATOM 276 CB LEU A 21 -1.479 19.359 25.627 1.00 38.35 C ATOM 277 CG LEU A 21 -0.049 18.900 25.967 1.00 40.80 C ATOM 278 CD1 LEU A 21 0.455 19.441 27.322 1.00 46.08 C ATOM 279 CD2 LEU A 21 0.023 17.383 25.843 1.00 40.60 C ATOM 280 HA LEU A 21 -1.740 17.837 24.122 1.00 0.00 H ATOM 281 HB2 LEU A 21 -1.514 20.448 25.665 1.00 0.00 H ATOM 282 HB3 LEU A 21 -2.163 18.948 26.370 1.00 0.00 H ATOM 283 HG LEU A 21 0.645 19.334 25.247 1.00 0.00 H ATOM 284 HD21 LEU A 21 -0.686 16.929 26.536 1.00 0.00 H ATOM 285 HD22 LEU A 21 -0.226 17.091 24.823 1.00 0.00 H ATOM 286 HD23 LEU A 21 1.032 17.048 26.082 1.00 0.00 H ATOM 287 HD11 LEU A 21 0.454 20.531 27.300 1.00 0.00 H ATOM 288 HD12 LEU A 21 -0.202 19.092 28.118 1.00 0.00 H ATOM 289 HD13 LEU A 21 1.468 19.081 27.501 1.00 0.00 H ATOM 290 H LEU A 21 -0.635 20.416 23.399 1.00 0.00 H ATOM 291 N THR A 22 -3.765 20.371 23.630 1.00 32.79 N ATOM 292 CA THR A 22 -5.175 20.803 23.660 1.00 34.35 C ATOM 293 C THR A 22 -5.883 20.635 22.357 1.00 30.92 C ATOM 294 O THR A 22 -7.040 20.386 22.366 1.00 30.60 O ATOM 295 CB THR A 22 -5.346 22.317 24.085 1.00 38.60 C ATOM 296 OG1 THR A 22 -4.692 23.190 23.154 1.00 39.75 O ATOM 297 CG2 THR A 22 -4.823 22.542 25.476 1.00 45.46 C ATOM 298 HA THR A 22 -5.621 20.145 24.406 1.00 0.00 H ATOM 299 HB THR A 22 -6.411 22.549 24.076 1.00 0.00 H ATOM 300 HG1 THR A 22 -3.726 22.975 23.125 1.00 0.00 H ATOM 301 HG23 THR A 22 -5.332 21.870 26.167 1.00 0.00 H ATOM 302 HG21 THR A 22 -3.751 22.343 25.497 1.00 0.00 H ATOM 303 HG22 THR A 22 -5.008 23.575 25.770 1.00 0.00 H ATOM 304 H THR A 22 -3.045 20.994 23.212 1.00 0.00 H ATOM 305 N ARG A 23 -5.156 20.727 21.210 1.00 28.05 N ATOM 306 CA ARG A 23 -5.771 20.672 19.918 1.00 27.88 C ATOM 307 C ARG A 23 -5.199 19.541 19.075 1.00 26.25 C ATOM 308 O ARG A 23 -5.712 19.287 18.011 1.00 26.68 O ATOM 309 CB ARG A 23 -5.617 21.986 19.162 1.00 31.03 C ATOM 310 CG ARG A 23 -6.003 23.196 19.984 1.00 39.63 C ATOM 311 CD ARG A 23 -5.986 24.382 19.057 1.00 52.69 C ATOM 312 NE ARG A 23 -7.031 24.189 18.045 1.00 63.74 N ATOM 313 CZ ARG A 23 -8.254 24.713 18.123 1.00 72.74 C ATOM 314 NH1 ARG A 23 -8.580 25.501 19.157 1.00 76.40 N ATOM 315 NH2 ARG A 23 -9.148 24.465 17.160 1.00 75.25 N ATOM 316 HA ARG A 23 -6.831 20.487 20.091 1.00 0.00 H ATOM 317 HB2 ARG A 23 -4.575 22.091 18.858 1.00 0.00 H ATOM 318 HB3 ARG A 23 -6.251 21.952 18.276 1.00 0.00 H ATOM 319 HG2 ARG A 23 -7.001 23.062 20.402 1.00 0.00 H ATOM 320 HG3 ARG A 23 -5.288 23.343 20.793 1.00 0.00 H ATOM 321 HD2 ARG A 23 -5.013 24.458 18.573 1.00 0.00 H ATOM 322 HD3 ARG A 23 -6.182 25.294 19.621 1.00 0.00 H ATOM 323 HE ARG A 23 -6.803 23.606 17.214 1.00 0.00 H ATOM 324 HH12 ARG A 23 -9.534 25.910 19.218 1.00 0.00 H ATOM 325 HH11 ARG A 23 -7.879 25.703 19.898 1.00 0.00 H ATOM 326 HH22 ARG A 23 -10.103 24.873 17.219 1.00 0.00 H ATOM 327 HH21 ARG A 23 -8.889 23.864 16.352 1.00 0.00 H ATOM 328 H ARG A 23 -4.124 20.841 21.274 1.00 0.00 H ATOM 329 N GLY A 24 -4.257 18.788 19.623 1.00 28.14 N ATOM 330 CA GLY A 24 -3.591 17.713 18.875 1.00 25.91 C ATOM 331 C GLY A 24 -4.092 16.343 19.364 1.00 25.87 C ATOM 332 O GLY A 24 -4.824 16.243 20.344 1.00 28.09 O ATOM 333 HA3 GLY A 24 -2.514 17.780 19.029 1.00 0.00 H ATOM 334 HA2 GLY A 24 -3.813 17.821 17.813 1.00 0.00 H ATOM 335 H GLY A 24 -3.981 18.963 20.610 1.00 0.00 H ATOM 336 N VAL A 25 -3.656 15.292 18.680 1.00 26.69 N ATOM 337 CA VAL A 25 -3.856 13.907 19.117 1.00 26.17 C ATOM 338 C VAL A 25 -2.471 13.247 19.085 1.00 26.60 C ATOM 339 O VAL A 25 -1.492 13.838 18.617 1.00 26.14 O ATOM 340 CB VAL A 25 -4.778 13.102 18.168 1.00 27.28 C ATOM 341 CG1 VAL A 25 -6.158 13.791 18.173 1.00 26.90 C ATOM 342 CG2 VAL A 25 -4.217 13.057 16.713 1.00 25.67 C ATOM 343 HA VAL A 25 -4.325 13.912 20.101 1.00 0.00 H ATOM 344 HB VAL A 25 -4.844 12.071 18.516 1.00 0.00 H ATOM 345 HG11 VAL A 25 -6.559 13.791 19.187 1.00 0.00 H ATOM 346 HG12 VAL A 25 -6.051 14.818 17.823 1.00 0.00 H ATOM 347 HG13 VAL A 25 -6.836 13.249 17.513 1.00 0.00 H ATOM 348 HG21 VAL A 25 -4.131 14.073 16.327 1.00 0.00 H ATOM 349 HG22 VAL A 25 -3.235 12.584 16.718 1.00 0.00 H ATOM 350 HG23 VAL A 25 -4.895 12.483 16.081 1.00 0.00 H ATOM 351 H VAL A 25 -3.147 15.460 17.789 1.00 0.00 H ATOM 352 N ASP A 26 -2.379 12.007 19.562 1.00 27.57 N ATOM 353 CA ASP A 26 -1.061 11.339 19.487 1.00 28.92 C ATOM 354 C ASP A 26 -0.707 11.173 18.002 1.00 26.51 C ATOM 355 O ASP A 26 -1.548 10.675 17.237 1.00 28.24 O ATOM 356 CB ASP A 26 -1.103 9.977 20.258 1.00 31.73 C ATOM 357 CG ASP A 26 -1.097 10.173 21.799 1.00 36.99 C ATOM 358 OD1 ASP A 26 -0.650 11.239 22.307 1.00 36.55 O ATOM 359 OD2 ASP A 26 -1.565 9.253 22.490 1.00 45.42 O ATOM 360 HA ASP A 26 -0.284 11.934 19.966 1.00 0.00 H ATOM 361 HB2 ASP A 26 -2.010 9.442 19.976 1.00 0.00 H ATOM 362 HB3 ASP A 26 -0.231 9.387 19.976 1.00 0.00 H ATOM 363 H ASP A 26 -3.204 11.525 19.973 1.00 0.00 H ATOM 364 N GLY A 27 0.507 11.597 17.649 1.00 24.96 N ATOM 365 CA GLY A 27 1.046 11.618 16.250 1.00 24.46 C ATOM 366 C GLY A 27 1.029 13.029 15.650 1.00 25.62 C ATOM 367 O GLY A 27 1.590 13.258 14.548 1.00 25.19 O ATOM 368 HA3 GLY A 27 0.436 10.963 15.628 1.00 0.00 H ATOM 369 HA2 GLY A 27 2.073 11.253 16.262 1.00 0.00 H ATOM 370 H GLY A 27 1.131 11.941 18.406 1.00 0.00 H ATOM 371 N SER A 28 0.332 13.973 16.332 1.00 23.41 N ATOM 372 CA SER A 28 0.366 15.418 15.956 1.00 23.39 C ATOM 373 C SER A 28 1.769 15.993 16.091 1.00 24.62 C ATOM 374 O SER A 28 2.482 15.664 17.034 1.00 26.53 O ATOM 375 CB SER A 28 -0.634 16.309 16.785 1.00 22.72 C ATOM 376 OG SER A 28 -1.975 15.933 16.466 1.00 24.68 O ATOM 377 HA SER A 28 0.048 15.447 14.914 1.00 0.00 H ATOM 378 HB2 SER A 28 -0.480 17.359 16.535 1.00 0.00 H ATOM 379 HB3 SER A 28 -0.457 16.161 17.850 1.00 0.00 H ATOM 380 HG SER A 28 -2.133 16.068 15.498 1.00 0.00 H ATOM 381 H SER A 28 -0.246 13.680 17.145 1.00 0.00 H ATOM 382 N PHE A 29 2.158 16.886 15.178 1.00 23.62 N ATOM 383 CA PHE A 29 3.448 17.511 15.324 1.00 25.33 C ATOM 384 C PHE A 29 3.434 18.879 14.665 1.00 24.35 C ATOM 385 O PHE A 29 2.551 19.168 13.843 1.00 26.22 O ATOM 386 CB PHE A 29 4.528 16.597 14.681 1.00 23.25 C ATOM 387 CG PHE A 29 4.512 16.656 13.188 1.00 27.03 C ATOM 388 CD1 PHE A 29 3.628 15.840 12.476 1.00 22.98 C ATOM 389 CD2 PHE A 29 5.334 17.575 12.467 1.00 30.03 C ATOM 390 CE1 PHE A 29 3.550 15.875 11.072 1.00 27.91 C ATOM 391 CE2 PHE A 29 5.239 17.650 11.053 1.00 28.41 C ATOM 392 CZ PHE A 29 4.325 16.825 10.354 1.00 26.82 C ATOM 393 HA PHE A 29 3.681 17.646 16.380 1.00 0.00 H ATOM 394 HB2 PHE A 29 5.510 16.914 15.033 1.00 0.00 H ATOM 395 HB3 PHE A 29 4.346 15.568 14.993 1.00 0.00 H ATOM 396 HD2 PHE A 29 6.033 18.218 13.002 1.00 0.00 H ATOM 397 HE2 PHE A 29 5.872 18.346 10.503 1.00 0.00 H ATOM 398 HZ PHE A 29 4.217 16.918 9.273 1.00 0.00 H ATOM 399 HE1 PHE A 29 2.901 15.180 10.540 1.00 0.00 H ATOM 400 HD1 PHE A 29 2.980 15.157 13.025 1.00 0.00 H ATOM 401 H PHE A 29 1.541 17.126 14.376 1.00 0.00 H ATOM 402 N LEU A 30 4.471 19.674 14.948 1.00 25.28 N ATOM 403 CA LEU A 30 4.676 20.973 14.279 1.00 26.12 C ATOM 404 C LEU A 30 6.166 21.272 14.283 1.00 28.63 C ATOM 405 O LEU A 30 6.907 20.629 15.009 1.00 28.82 O ATOM 406 CB LEU A 30 3.867 22.109 14.978 1.00 26.55 C ATOM 407 CG LEU A 30 4.166 22.369 16.481 1.00 29.54 C ATOM 408 CD1 LEU A 30 5.437 23.294 16.635 1.00 29.84 C ATOM 409 CD2 LEU A 30 2.995 23.000 17.125 1.00 32.60 C ATOM 410 HA LEU A 30 4.310 20.922 13.254 1.00 0.00 H ATOM 411 HB2 LEU A 30 4.067 23.035 14.438 1.00 0.00 H ATOM 412 HB3 LEU A 30 2.809 21.860 14.892 1.00 0.00 H ATOM 413 HG LEU A 30 4.369 21.416 16.970 1.00 0.00 H ATOM 414 HD21 LEU A 30 2.777 23.947 16.632 1.00 0.00 H ATOM 415 HD22 LEU A 30 2.134 22.338 17.038 1.00 0.00 H ATOM 416 HD23 LEU A 30 3.213 23.179 18.178 1.00 0.00 H ATOM 417 HD11 LEU A 30 6.298 22.805 16.180 1.00 0.00 H ATOM 418 HD12 LEU A 30 5.254 24.247 16.138 1.00 0.00 H ATOM 419 HD13 LEU A 30 5.633 23.467 17.693 1.00 0.00 H ATOM 420 H LEU A 30 5.158 19.366 15.665 1.00 0.00 H ATOM 421 N ALA A 31 6.578 22.199 13.441 1.00 27.82 N ATOM 422 CA ALA A 31 7.924 22.771 13.550 1.00 29.99 C ATOM 423 C ALA A 31 7.806 24.216 14.027 1.00 33.57 C ATOM 424 O ALA A 31 6.793 24.950 13.748 1.00 32.87 O ATOM 425 CB ALA A 31 8.596 22.652 12.191 1.00 29.82 C ATOM 426 HA ALA A 31 8.538 22.240 14.277 1.00 0.00 H ATOM 427 HB1 ALA A 31 8.655 21.601 11.907 1.00 0.00 H ATOM 428 HB2 ALA A 31 8.013 23.198 11.450 1.00 0.00 H ATOM 429 HB3 ALA A 31 9.601 23.071 12.246 1.00 0.00 H ATOM 430 H ALA A 31 5.940 22.529 12.689 1.00 0.00 H ATOM 431 N ARG A 32 8.850 24.659 14.746 1.00 37.26 N ATOM 432 CA ARG A 32 8.853 26.006 15.302 1.00 40.64 C ATOM 433 C ARG A 32 10.300 26.506 15.352 1.00 43.29 C ATOM 434 O ARG A 32 11.221 25.719 15.128 1.00 40.49 O ATOM 435 CB ARG A 32 8.228 25.999 16.684 1.00 40.37 C ATOM 436 CG ARG A 32 8.926 24.966 17.562 1.00 42.82 C ATOM 437 CD ARG A 32 8.440 25.060 18.929 1.00 41.11 C ATOM 438 NE ARG A 32 9.076 24.102 19.825 1.00 40.73 N ATOM 439 CZ ARG A 32 10.238 24.299 20.444 1.00 42.37 C ATOM 440 NH1 ARG A 32 10.926 25.403 20.225 1.00 44.13 N ATOM 441 NH2 ARG A 32 10.720 23.368 21.259 1.00 43.72 N ATOM 442 HA ARG A 32 8.263 26.676 14.677 1.00 0.00 H ATOM 443 HB2 ARG A 32 8.333 26.986 17.134 1.00 0.00 H ATOM 444 HB3 ARG A 32 7.170 25.749 16.602 1.00 0.00 H ATOM 445 HG2 ARG A 32 8.723 23.967 17.175 1.00 0.00 H ATOM 446 HG3 ARG A 32 10.001 25.148 17.548 1.00 0.00 H ATOM 447 HD2 ARG A 32 7.366 24.877 18.930 1.00 0.00 H ATOM 448 HD3 ARG A 32 8.636 26.066 19.300 1.00 0.00 H ATOM 449 HE ARG A 32 8.587 23.200 19.993 1.00 0.00 H ATOM 450 HH12 ARG A 32 11.834 25.555 20.710 1.00 0.00 H ATOM 451 HH11 ARG A 32 10.561 26.122 19.568 1.00 0.00 H ATOM 452 HH22 ARG A 32 11.628 23.520 21.743 1.00 0.00 H ATOM 453 HH21 ARG A 32 10.190 22.487 21.413 1.00 0.00 H ATOM 454 H ARG A 32 9.665 24.034 14.908 1.00 0.00 H ATOM 455 N PRO A 33 10.476 27.823 15.582 1.00 47.03 N ATOM 456 CA PRO A 33 11.854 28.319 15.795 1.00 49.09 C ATOM 457 C PRO A 33 12.375 27.872 17.135 1.00 49.33 C ATOM 458 O PRO A 33 11.627 27.804 18.136 1.00 51.62 O ATOM 459 CB PRO A 33 11.716 29.848 15.741 1.00 51.63 C ATOM 460 CG PRO A 33 10.217 30.148 15.506 1.00 52.10 C ATOM 461 CD PRO A 33 9.452 28.867 15.809 1.00 48.26 C ATOM 462 HA PRO A 33 12.558 27.940 15.054 1.00 0.00 H ATOM 463 HD3 PRO A 33 9.097 28.854 16.839 1.00 0.00 H ATOM 464 HD2 PRO A 33 8.606 28.743 15.133 1.00 0.00 H ATOM 465 HG3 PRO A 33 10.053 30.446 14.470 1.00 0.00 H ATOM 466 HG2 PRO A 33 9.887 30.947 16.170 1.00 0.00 H ATOM 467 HB2 PRO A 33 12.045 30.289 16.682 1.00 0.00 H ATOM 468 HB3 PRO A 33 12.313 30.251 14.923 1.00 0.00 H ATOM 469 N SER A 34 13.653 27.531 17.141 1.00 50.61 N ATOM 470 CA SER A 34 14.371 27.115 18.309 1.00 52.11 C ATOM 471 C SER A 34 14.771 28.295 19.222 1.00 56.12 C ATOM 472 O SER A 34 15.374 29.280 18.734 1.00 56.95 O ATOM 473 CB SER A 34 15.594 26.339 17.873 1.00 51.30 C ATOM 474 OG SER A 34 16.426 26.051 18.979 1.00 53.08 O ATOM 475 HA SER A 34 13.712 26.485 18.906 1.00 0.00 H ATOM 476 HB2 SER A 34 16.154 26.931 17.149 1.00 0.00 H ATOM 477 HB3 SER A 34 15.278 25.404 17.410 1.00 0.00 H ATOM 478 HG SER A 34 15.922 25.510 19.638 1.00 0.00 H ATOM 479 H SER A 34 14.170 27.567 16.239 1.00 0.00 H ATOM 480 N LYS A 35 14.404 28.187 20.515 1.00 57.58 N ATOM 481 CA LYS A 35 14.886 29.097 21.600 1.00 62.31 C ATOM 482 C LYS A 35 16.396 28.995 21.823 1.00 64.52 C ATOM 483 O LYS A 35 17.097 30.012 21.855 1.00 67.27 O ATOM 484 CB LYS A 35 14.143 28.871 22.927 1.00 62.26 C ATOM 485 HA LYS A 35 14.663 30.106 21.252 1.00 0.00 H ATOM 486 HB2 LYS A 35 13.078 29.054 22.782 1.00 0.00 H ATOM 487 HB3 LYS A 35 14.295 27.843 23.256 1.00 0.00 H ATOM 488 H LYS A 35 13.746 27.425 20.774 1.00 0.00 H ATOM 489 N SER A 36 16.900 27.768 21.934 1.00 65.23 N ATOM 490 CA SER A 36 18.291 27.527 22.343 1.00 67.99 C ATOM 491 C SER A 36 19.290 27.603 21.209 1.00 68.55 C ATOM 492 O SER A 36 20.507 27.591 21.439 1.00 70.20 O ATOM 493 CB SER A 36 18.406 26.178 23.063 1.00 68.50 C ATOM 494 OG SER A 36 17.947 25.127 22.222 1.00 66.52 O ATOM 495 HA SER A 36 18.549 28.339 23.024 1.00 0.00 H ATOM 496 HB2 SER A 36 17.802 26.202 23.970 1.00 0.00 H ATOM 497 HB3 SER A 36 19.448 25.999 23.326 1.00 0.00 H ATOM 498 HG SER A 36 16.999 25.286 21.984 1.00 0.00 H ATOM 499 H SER A 36 16.289 26.953 21.724 1.00 0.00 H ATOM 500 N ASN A 37 18.783 27.656 19.977 1.00 67.01 N ATOM 501 CA ASN A 37 19.584 27.956 18.792 1.00 67.79 C ATOM 502 C ASN A 37 18.838 28.969 17.925 1.00 67.42 C ATOM 503 O ASN A 37 18.138 28.581 16.997 1.00 65.43 O ATOM 504 CB ASN A 37 19.860 26.686 17.972 1.00 67.37 C ATOM 505 CG ASN A 37 20.607 25.617 18.761 1.00 68.71 C ATOM 506 OD1 ASN A 37 20.202 25.217 19.826 1.00 71.67 O ATOM 507 ND2 ASN A 37 21.718 25.158 18.214 1.00 76.29 N ATOM 508 HA ASN A 37 20.540 28.367 19.116 1.00 0.00 H ATOM 509 HB2 ASN A 37 18.907 26.272 17.642 1.00 0.00 H ATOM 510 HB3 ASN A 37 20.458 26.957 17.102 1.00 0.00 H ATOM 511 HD22 ASN A 37 22.036 25.527 17.295 1.00 0.00 H ATOM 512 HD21 ASN A 37 22.275 24.428 18.702 1.00 0.00 H ATOM 513 H ASN A 37 17.766 27.475 19.853 1.00 0.00 H ATOM 514 N PRO A 38 18.945 30.273 18.246 1.00 69.66 N ATOM 515 CA PRO A 38 18.308 31.362 17.461 1.00 69.40 C ATOM 516 C PRO A 38 18.563 31.253 15.954 1.00 67.77 C ATOM 517 O PRO A 38 19.705 30.978 15.533 1.00 68.26 O ATOM 518 CB PRO A 38 18.991 32.629 18.006 1.00 72.61 C ATOM 519 CG PRO A 38 19.285 32.263 19.445 1.00 74.05 C ATOM 520 CD PRO A 38 19.733 30.817 19.375 1.00 72.35 C ATOM 521 HA PRO A 38 17.223 31.342 17.567 1.00 0.00 H ATOM 522 HD3 PRO A 38 20.802 30.748 19.175 1.00 0.00 H ATOM 523 HD2 PRO A 38 19.503 30.291 20.302 1.00 0.00 H ATOM 524 HG3 PRO A 38 18.391 32.362 20.060 1.00 0.00 H ATOM 525 HG2 PRO A 38 20.075 32.894 19.851 1.00 0.00 H ATOM 526 HB2 PRO A 38 19.910 32.845 17.461 1.00 0.00 H ATOM 527 HB3 PRO A 38 18.325 33.490 17.948 1.00 0.00 H ATOM 528 N GLY A 39 17.500 31.454 15.164 1.00 65.24 N ATOM 529 CA GLY A 39 17.555 31.255 13.713 1.00 62.85 C ATOM 530 C GLY A 39 17.238 29.844 13.222 1.00 59.72 C ATOM 531 O GLY A 39 16.949 29.663 12.038 1.00 59.49 O ATOM 532 HA3 GLY A 39 18.561 31.507 13.379 1.00 0.00 H ATOM 533 HA2 GLY A 39 16.839 31.937 13.254 1.00 0.00 H ATOM 534 H GLY A 39 16.605 31.762 15.595 1.00 0.00 H ATOM 535 N ASP A 40 17.271 28.852 14.125 1.00 57.26 N ATOM 536 CA ASP A 40 17.081 27.419 13.785 1.00 53.68 C ATOM 537 C ASP A 40 15.736 26.922 14.161 1.00 48.75 C ATOM 538 O ASP A 40 15.006 27.654 14.834 1.00 49.25 O ATOM 539 CB ASP A 40 18.056 26.524 14.551 1.00 53.52 C ATOM 540 CG ASP A 40 19.377 26.482 13.917 1.00 57.57 C ATOM 541 OD1 ASP A 40 19.477 27.010 12.774 1.00 57.49 O ATOM 542 OD2 ASP A 40 20.309 25.949 14.586 1.00 59.93 O ATOM 543 HA ASP A 40 17.236 27.370 12.707 1.00 0.00 H ATOM 544 HB2 ASP A 40 18.164 26.908 15.565 1.00 0.00 H ATOM 545 HB3 ASP A 40 17.651 25.513 14.588 1.00 0.00 H ATOM 546 H ASP A 40 17.439 29.101 15.121 1.00 0.00 H ATOM 547 N PHE A 41 15.463 25.659 13.817 1.00 45.06 N ATOM 548 CA PHE A 41 14.098 25.041 14.008 1.00 41.43 C ATOM 549 C PHE A 41 14.073 23.814 14.859 1.00 38.80 C ATOM 550 O PHE A 41 15.067 23.125 15.029 1.00 39.74 O ATOM 551 CB PHE A 41 13.410 24.817 12.629 1.00 41.45 C ATOM 552 CG PHE A 41 13.286 26.101 11.862 1.00 44.28 C ATOM 553 CD1 PHE A 41 12.394 27.085 12.298 1.00 50.19 C ATOM 554 CD2 PHE A 41 14.195 26.416 10.862 1.00 52.83 C ATOM 555 CE1 PHE A 41 12.353 28.339 11.681 1.00 57.31 C ATOM 556 CE2 PHE A 41 14.158 27.657 10.229 1.00 57.45 C ATOM 557 CZ PHE A 41 13.229 28.620 10.640 1.00 59.12 C ATOM 558 HA PHE A 41 13.519 25.764 14.583 1.00 0.00 H ATOM 559 HB2 PHE A 41 14.004 24.112 12.047 1.00 0.00 H ATOM 560 HB3 PHE A 41 12.415 24.404 12.792 1.00 0.00 H ATOM 561 HD2 PHE A 41 14.947 25.684 10.568 1.00 0.00 H ATOM 562 HE2 PHE A 41 14.850 27.877 9.416 1.00 0.00 H ATOM 563 HZ PHE A 41 13.193 29.590 10.144 1.00 0.00 H ATOM 564 HE1 PHE A 41 11.638 29.091 12.015 1.00 0.00 H ATOM 565 HD1 PHE A 41 11.722 26.872 13.129 1.00 0.00 H ATOM 566 H PHE A 41 16.220 25.079 13.402 1.00 0.00 H ATOM 567 N THR A 42 12.900 23.524 15.423 1.00 36.79 N ATOM 568 CA THR A 42 12.739 22.376 16.296 1.00 35.80 C ATOM 569 C THR A 42 11.374 21.744 15.964 1.00 34.66 C ATOM 570 O THR A 42 10.403 22.446 15.652 1.00 33.72 O ATOM 571 CB THR A 42 12.766 22.752 17.788 1.00 37.04 C ATOM 572 OG1 THR A 42 14.038 23.311 18.128 1.00 40.12 O ATOM 573 CG2 THR A 42 12.520 21.518 18.680 1.00 38.44 C ATOM 574 HA THR A 42 13.570 21.690 16.129 1.00 0.00 H ATOM 575 HB THR A 42 11.973 23.480 17.959 1.00 0.00 H ATOM 576 HG1 THR A 42 14.046 23.550 19.089 1.00 0.00 H ATOM 577 HG23 THR A 42 11.553 21.080 18.433 1.00 0.00 H ATOM 578 HG21 THR A 42 13.308 20.784 18.508 1.00 0.00 H ATOM 579 HG22 THR A 42 12.526 21.821 19.727 1.00 0.00 H ATOM 580 H THR A 42 12.081 24.135 15.233 1.00 0.00 H ATOM 581 N LEU A 43 11.363 20.431 15.971 1.00 34.38 N ATOM 582 CA LEU A 43 10.108 19.657 15.862 1.00 32.84 C ATOM 583 C LEU A 43 9.526 19.372 17.219 1.00 31.73 C ATOM 584 O LEU A 43 10.264 19.020 18.134 1.00 32.76 O ATOM 585 CB LEU A 43 10.427 18.325 15.210 1.00 32.24 C ATOM 586 CG LEU A 43 10.822 18.325 13.722 1.00 37.07 C ATOM 587 CD1 LEU A 43 11.323 16.917 13.448 1.00 37.04 C ATOM 588 CD2 LEU A 43 9.621 18.699 12.843 1.00 36.73 C ATOM 589 HA LEU A 43 9.392 20.237 15.280 1.00 0.00 H ATOM 590 HB2 LEU A 43 11.254 17.882 15.765 1.00 0.00 H ATOM 591 HB3 LEU A 43 9.544 17.694 15.311 1.00 0.00 H ATOM 592 HG LEU A 43 11.589 19.064 13.491 1.00 0.00 H ATOM 593 HD21 LEU A 43 8.821 17.975 12.996 1.00 0.00 H ATOM 594 HD22 LEU A 43 9.269 19.694 13.115 1.00 0.00 H ATOM 595 HD23 LEU A 43 9.923 18.693 11.796 1.00 0.00 H ATOM 596 HD11 LEU A 43 12.177 16.705 14.091 1.00 0.00 H ATOM 597 HD12 LEU A 43 10.526 16.203 13.653 1.00 0.00 H ATOM 598 HD13 LEU A 43 11.625 16.837 12.404 1.00 0.00 H ATOM 599 H LEU A 43 12.265 19.920 16.056 1.00 0.00 H ATOM 600 N SER A 44 8.209 19.572 17.382 1.00 30.61 N ATOM 601 CA SER A 44 7.546 19.250 18.640 1.00 30.05 C ATOM 602 C SER A 44 6.536 18.184 18.270 1.00 30.45 C ATOM 603 O SER A 44 5.722 18.417 17.373 1.00 28.46 O ATOM 604 CB SER A 44 6.870 20.491 19.203 1.00 32.72 C ATOM 605 OG SER A 44 7.857 21.440 19.634 1.00 36.08 O ATOM 606 HA SER A 44 8.233 18.902 19.411 1.00 0.00 H ATOM 607 HB2 SER A 44 6.247 20.208 20.052 1.00 0.00 H ATOM 608 HB3 SER A 44 6.247 20.944 18.431 1.00 0.00 H ATOM 609 HG SER A 44 8.422 21.031 20.337 1.00 0.00 H ATOM 610 H SER A 44 7.651 19.964 16.597 1.00 0.00 H ATOM 611 N VAL A 45 6.621 17.021 18.915 1.00 30.61 N ATOM 612 CA VAL A 45 5.895 15.854 18.429 1.00 31.22 C ATOM 613 C VAL A 45 5.089 15.266 19.612 1.00 30.91 C ATOM 614 O VAL A 45 5.663 15.021 20.688 1.00 31.46 O ATOM 615 CB VAL A 45 6.875 14.790 17.925 1.00 31.60 C ATOM 616 CG1 VAL A 45 6.041 13.636 17.343 1.00 30.48 C ATOM 617 CG2 VAL A 45 7.733 15.327 16.797 1.00 31.55 C ATOM 618 HA VAL A 45 5.238 16.146 17.610 1.00 0.00 H ATOM 619 HB VAL A 45 7.516 14.479 18.750 1.00 0.00 H ATOM 620 HG11 VAL A 45 5.398 13.226 18.122 1.00 0.00 H ATOM 621 HG12 VAL A 45 5.428 14.010 16.523 1.00 0.00 H ATOM 622 HG13 VAL A 45 6.708 12.858 16.973 1.00 0.00 H ATOM 623 HG21 VAL A 45 7.093 15.632 15.969 1.00 0.00 H ATOM 624 HG22 VAL A 45 8.303 16.185 17.153 1.00 0.00 H ATOM 625 HG23 VAL A 45 8.418 14.549 16.461 1.00 0.00 H ATOM 626 H VAL A 45 7.209 16.945 19.770 1.00 0.00 H ATOM 627 N ARG A 46 3.807 15.005 19.430 1.00 28.62 N ATOM 628 CA ARG A 46 3.044 14.433 20.552 1.00 29.64 C ATOM 629 C ARG A 46 3.055 12.914 20.409 1.00 30.63 C ATOM 630 O ARG A 46 2.770 12.369 19.332 1.00 29.31 O ATOM 631 CB ARG A 46 1.609 14.971 20.515 1.00 27.13 C ATOM 632 CG ARG A 46 0.727 14.334 21.606 1.00 30.79 C ATOM 633 CD ARG A 46 -0.582 15.005 21.735 1.00 29.87 C ATOM 634 NE ARG A 46 -1.489 14.048 22.369 1.00 33.17 N ATOM 635 CZ ARG A 46 -2.682 14.353 22.850 1.00 30.88 C ATOM 636 NH1 ARG A 46 -3.081 15.615 22.876 1.00 32.39 N ATOM 637 NH2 ARG A 46 -3.450 13.396 23.399 1.00 30.81 N ATOM 638 HA ARG A 46 3.490 14.711 21.507 1.00 0.00 H ATOM 639 HB2 ARG A 46 1.633 16.050 20.667 1.00 0.00 H ATOM 640 HB3 ARG A 46 1.176 14.752 19.539 1.00 0.00 H ATOM 641 HG2 ARG A 46 0.560 13.287 21.354 1.00 0.00 H ATOM 642 HG3 ARG A 46 1.249 14.398 22.561 1.00 0.00 H ATOM 643 HD2 ARG A 46 -0.959 15.284 20.751 1.00 0.00 H ATOM 644 HD3 ARG A 46 -0.487 15.898 22.353 1.00 0.00 H ATOM 645 HE ARG A 46 -1.174 13.060 22.447 1.00 0.00 H ATOM 646 HH12 ARG A 46 -4.019 15.856 23.254 1.00 0.00 H ATOM 647 HH11 ARG A 46 -2.456 16.365 22.518 1.00 0.00 H ATOM 648 HH22 ARG A 46 -4.389 13.636 23.777 1.00 0.00 H ATOM 649 HH21 ARG A 46 -3.106 12.416 23.445 1.00 0.00 H ATOM 650 H ARG A 46 3.348 15.199 18.517 1.00 0.00 H ATOM 651 N ARG A 47 3.325 12.200 21.504 1.00 33.29 N ATOM 652 CA ARG A 47 3.199 10.770 21.479 1.00 36.42 C ATOM 653 C ARG A 47 2.846 10.418 22.918 1.00 39.67 C ATOM 654 O ARG A 47 3.314 11.057 23.846 1.00 41.88 O ATOM 655 CB ARG A 47 4.482 10.066 21.021 1.00 37.93 C ATOM 656 CG ARG A 47 5.703 10.544 21.754 1.00 43.56 C ATOM 657 CD ARG A 47 6.974 10.460 20.884 1.00 52.18 C ATOM 658 NE ARG A 47 7.446 9.082 20.811 1.00 59.53 N ATOM 659 CZ ARG A 47 8.266 8.513 21.705 1.00 66.81 C ATOM 660 NH1 ARG A 47 8.739 9.212 22.734 1.00 69.71 N ATOM 661 NH2 ARG A 47 8.643 7.240 21.555 1.00 68.72 N ATOM 662 HA ARG A 47 2.449 10.439 20.761 1.00 0.00 H ATOM 663 HB2 ARG A 47 4.371 8.995 21.190 1.00 0.00 H ATOM 664 HB3 ARG A 47 4.620 10.252 19.956 1.00 0.00 H ATOM 665 HG2 ARG A 47 5.550 11.581 22.053 1.00 0.00 H ATOM 666 HG3 ARG A 47 5.844 9.928 22.642 1.00 0.00 H ATOM 667 HD2 ARG A 47 7.752 11.084 21.322 1.00 0.00 H ATOM 668 HD3 ARG A 47 6.747 10.817 19.879 1.00 0.00 H ATOM 669 HE ARG A 47 7.124 8.501 20.010 1.00 0.00 H ATOM 670 HH12 ARG A 47 9.375 8.760 23.422 1.00 0.00 H ATOM 671 HH11 ARG A 47 8.473 10.211 22.851 1.00 0.00 H ATOM 672 HH22 ARG A 47 9.280 6.801 22.250 1.00 0.00 H ATOM 673 HH21 ARG A 47 8.300 6.688 20.743 1.00 0.00 H ATOM 674 H ARG A 47 3.627 12.680 22.376 1.00 0.00 H ATOM 675 N ASN A 48 1.981 9.454 23.061 1.00 41.13 N ATOM 676 CA ASN A 48 1.461 9.041 24.383 1.00 43.93 C ATOM 677 C ASN A 48 1.006 10.172 25.288 1.00 43.79 C ATOM 678 O ASN A 48 1.335 10.173 26.481 1.00 47.01 O ATOM 679 CB ASN A 48 2.545 8.234 25.113 1.00 47.95 C ATOM 680 CG ASN A 48 3.028 7.034 24.297 1.00 52.75 C ATOM 681 OD1 ASN A 48 4.242 6.773 24.190 1.00 61.32 O ATOM 682 ND2 ASN A 48 2.065 6.313 23.681 1.00 57.83 N ATOM 683 HA ASN A 48 0.568 8.453 24.173 1.00 0.00 H ATOM 684 HB2 ASN A 48 3.394 8.888 25.311 1.00 0.00 H ATOM 685 HB3 ASN A 48 2.137 7.874 26.058 1.00 0.00 H ATOM 686 HD22 ASN A 48 1.065 6.571 23.802 1.00 0.00 H ATOM 687 HD21 ASN A 48 2.324 5.500 23.086 1.00 0.00 H ATOM 688 H ASN A 48 1.643 8.956 22.213 1.00 0.00 H ATOM 689 N GLY A 49 0.272 11.130 24.759 1.00 41.80 N ATOM 690 CA GLY A 49 -0.271 12.217 25.584 1.00 43.16 C ATOM 691 C GLY A 49 0.752 13.197 26.136 1.00 44.39 C ATOM 692 O GLY A 49 0.411 14.018 26.994 1.00 47.33 O ATOM 693 HA3 GLY A 49 -0.795 11.768 26.428 1.00 0.00 H ATOM 694 HA2 GLY A 49 -0.979 12.779 24.975 1.00 0.00 H ATOM 695 H GLY A 49 0.073 11.116 23.738 1.00 0.00 H ATOM 696 N ALA A 50 1.993 13.109 25.658 1.00 43.45 N ATOM 697 CA ALA A 50 3.079 14.028 26.027 1.00 43.28 C ATOM 698 C ALA A 50 3.794 14.542 24.779 1.00 41.23 C ATOM 699 O ALA A 50 3.652 13.948 23.695 1.00 38.52 O ATOM 700 CB ALA A 50 4.086 13.335 26.916 1.00 46.54 C ATOM 701 HA ALA A 50 2.636 14.866 26.565 1.00 0.00 H ATOM 702 HB1 ALA A 50 3.591 12.991 27.824 1.00 0.00 H ATOM 703 HB2 ALA A 50 4.510 12.482 26.386 1.00 0.00 H ATOM 704 HB3 ALA A 50 4.881 14.034 27.177 1.00 0.00 H ATOM 705 H ALA A 50 2.205 12.345 24.985 1.00 0.00 H ATOM 706 N VAL A 51 4.616 15.575 24.958 1.00 40.87 N ATOM 707 CA VAL A 51 5.303 16.212 23.808 1.00 38.52 C ATOM 708 C VAL A 51 6.814 16.021 23.885 1.00 40.84 C ATOM 709 O VAL A 51 7.423 16.224 24.953 1.00 44.94 O ATOM 710 CB VAL A 51 4.911 17.690 23.682 1.00 37.27 C ATOM 711 CG1 VAL A 51 5.683 18.409 22.509 1.00 36.83 C ATOM 712 CG2 VAL A 51 3.378 17.823 23.468 1.00 37.01 C ATOM 713 HA VAL A 51 4.970 15.712 22.898 1.00 0.00 H ATOM 714 HB VAL A 51 5.193 18.182 24.613 1.00 0.00 H ATOM 715 HG11 VAL A 51 6.756 18.356 22.695 1.00 0.00 H ATOM 716 HG12 VAL A 51 5.452 17.914 21.566 1.00 0.00 H ATOM 717 HG13 VAL A 51 5.373 19.453 22.458 1.00 0.00 H ATOM 718 HG21 VAL A 51 3.093 17.299 22.556 1.00 0.00 H ATOM 719 HG22 VAL A 51 2.854 17.386 24.318 1.00 0.00 H ATOM 720 HG23 VAL A 51 3.115 18.877 23.380 1.00 0.00 H ATOM 721 H VAL A 51 4.778 15.940 25.918 1.00 0.00 H ATOM 722 N THR A 52 7.409 15.614 22.782 1.00 40.24 N ATOM 723 CA THR A 52 8.862 15.345 22.625 1.00 41.94 C ATOM 724 C THR A 52 9.393 16.457 21.709 1.00 39.91 C ATOM 725 O THR A 52 8.791 16.712 20.663 1.00 38.40 O ATOM 726 CB THR A 52 9.064 13.968 21.929 1.00 41.19 C ATOM 727 OG1 THR A 52 8.754 12.906 22.842 1.00 47.91 O ATOM 728 CG2 THR A 52 10.506 13.774 21.424 1.00 47.88 C ATOM 729 HA THR A 52 9.376 15.324 23.586 1.00 0.00 H ATOM 730 HB THR A 52 8.393 13.947 21.070 1.00 0.00 H ATOM 731 HG1 THR A 52 8.886 12.035 22.390 1.00 0.00 H ATOM 732 HG23 THR A 52 10.757 14.575 20.728 1.00 0.00 H ATOM 733 HG21 THR A 52 11.192 13.798 22.270 1.00 0.00 H ATOM 734 HG22 THR A 52 10.586 12.812 20.917 1.00 0.00 H ATOM 735 H THR A 52 6.808 15.468 21.946 1.00 0.00 H ATOM 736 N HIS A 53 10.503 17.106 22.071 1.00 39.21 N ATOM 737 CA HIS A 53 11.096 18.083 21.150 1.00 38.95 C ATOM 738 C HIS A 53 12.408 17.575 20.547 1.00 39.62 C ATOM 739 O HIS A 53 13.253 16.950 21.236 1.00 41.51 O ATOM 740 CB HIS A 53 11.280 19.444 21.835 1.00 41.05 C ATOM 741 CG HIS A 53 10.024 19.978 22.450 1.00 40.32 C ATOM 742 ND1 HIS A 53 9.585 19.631 23.712 1.00 44.75 N ATOM 743 CD2 HIS A 53 9.108 20.833 21.958 1.00 33.55 C ATOM 744 CE1 HIS A 53 8.456 20.261 23.979 1.00 39.04 C ATOM 745 NE2 HIS A 53 8.134 20.981 22.915 1.00 41.88 N ATOM 746 HA HIS A 53 10.399 18.218 20.323 1.00 0.00 H ATOM 747 HB2 HIS A 53 12.030 19.337 22.619 1.00 0.00 H ATOM 748 HB3 HIS A 53 11.632 20.160 21.092 1.00 0.00 H ATOM 749 HD2 HIS A 53 9.134 21.318 20.982 1.00 0.00 H ATOM 750 HE1 HIS A 53 7.890 20.200 24.909 1.00 0.00 H ATOM 751 H HIS A 53 10.942 16.921 22.995 1.00 0.00 H ATOM 752 N ILE A 54 12.609 17.874 19.266 1.00 38.54 N ATOM 753 CA ILE A 54 13.780 17.368 18.589 1.00 38.37 C ATOM 754 C ILE A 54 14.341 18.491 17.707 1.00 36.63 C ATOM 755 O ILE A 54 13.637 19.015 16.834 1.00 35.09 O ATOM 756 CB ILE A 54 13.385 16.102 17.722 1.00 38.58 C ATOM 757 CG1 ILE A 54 12.986 14.885 18.596 1.00 43.11 C ATOM 758 CG2 ILE A 54 14.491 15.708 16.751 1.00 39.37 C ATOM 759 CD1 ILE A 54 12.339 13.680 17.756 1.00 44.79 C ATOM 760 HA ILE A 54 14.541 17.058 19.305 1.00 0.00 H ATOM 761 HB ILE A 54 12.510 16.400 17.145 1.00 0.00 H ATOM 762 HG12 ILE A 54 13.878 14.514 19.101 1.00 0.00 H ATOM 763 HG13 ILE A 54 12.261 15.216 19.339 1.00 0.00 H ATOM 764 HD11 ILE A 54 11.438 14.032 17.254 1.00 0.00 H ATOM 765 HD12 ILE A 54 13.057 13.329 17.014 1.00 0.00 H ATOM 766 HD13 ILE A 54 12.084 12.863 18.432 1.00 0.00 H ATOM 767 HG21 ILE A 54 14.690 16.538 16.072 1.00 0.00 H ATOM 768 HG22 ILE A 54 15.396 15.470 17.310 1.00 0.00 H ATOM 769 HG23 ILE A 54 14.176 14.836 16.178 1.00 0.00 H ATOM 770 H ILE A 54 11.926 18.469 18.755 1.00 0.00 H ATOM 771 N LYS A 55 15.610 18.841 17.899 1.00 36.24 N ATOM 772 CA LYS A 55 16.206 19.930 17.116 1.00 36.42 C ATOM 773 C LYS A 55 16.542 19.554 15.675 1.00 34.42 C ATOM 774 O LYS A 55 16.933 18.409 15.378 1.00 34.44 O ATOM 775 CB LYS A 55 17.518 20.425 17.807 1.00 37.45 C ATOM 776 CG LYS A 55 17.296 20.938 19.194 1.00 43.95 C ATOM 777 CD LYS A 55 18.687 21.207 19.838 1.00 51.84 C ATOM 778 CE LYS A 55 18.521 22.276 20.887 1.00 59.13 C ATOM 779 NZ LYS A 55 18.122 23.499 20.115 1.00 60.52 N ATOM 780 HA LYS A 55 15.446 20.711 17.079 1.00 0.00 H ATOM 781 HB2 LYS A 55 18.221 19.593 17.853 1.00 0.00 H ATOM 782 HB3 LYS A 55 17.946 21.227 17.205 1.00 0.00 H ATOM 783 HG2 LYS A 55 16.720 21.863 19.159 1.00 0.00 H ATOM 784 HG3 LYS A 55 16.754 20.196 19.780 1.00 0.00 H ATOM 785 HD2 LYS A 55 19.064 20.294 20.298 1.00 0.00 H ATOM 786 HD3 LYS A 55 19.388 21.544 19.075 1.00 0.00 H ATOM 787 HE2 LYS A 55 19.458 22.444 21.419 1.00 0.00 H ATOM 788 HE3 LYS A 55 17.744 21.999 21.600 1.00 0.00 H ATOM 789 HZ1 LYS A 55 18.870 23.736 19.433 1.00 0.00 H ATOM 790 HZ2 LYS A 55 17.234 23.312 19.606 1.00 0.00 H ATOM 791 HZ3 LYS A 55 17.986 24.293 20.772 1.00 0.00 H ATOM 792 H LYS A 55 16.183 18.340 18.608 1.00 0.00 H ATOM 793 N ILE A 56 16.357 20.538 14.789 1.00 32.75 N ATOM 794 CA ILE A 56 16.709 20.370 13.405 1.00 30.24 C ATOM 795 C ILE A 56 17.960 21.208 13.168 1.00 30.44 C ATOM 796 O ILE A 56 18.007 22.415 13.514 1.00 31.38 O ATOM 797 CB ILE A 56 15.592 20.939 12.542 1.00 28.21 C ATOM 798 CG1 ILE A 56 14.347 20.069 12.737 1.00 28.74 C ATOM 799 CG2 ILE A 56 16.042 20.931 11.031 1.00 27.89 C ATOM 800 CD1 ILE A 56 13.094 20.768 12.251 1.00 34.56 C ATOM 801 HA ILE A 56 16.869 19.319 13.163 1.00 0.00 H ATOM 802 HB ILE A 56 15.368 21.967 12.828 1.00 0.00 H ATOM 803 HG12 ILE A 56 14.473 19.141 12.179 1.00 0.00 H ATOM 804 HG13 ILE A 56 14.237 19.842 13.797 1.00 0.00 H ATOM 805 HD11 ILE A 56 12.957 21.695 12.809 1.00 0.00 H ATOM 806 HD12 ILE A 56 13.194 20.993 11.189 1.00 0.00 H ATOM 807 HD13 ILE A 56 12.233 20.118 12.407 1.00 0.00 H ATOM 808 HG21 ILE A 56 16.938 21.541 10.917 1.00 0.00 H ATOM 809 HG22 ILE A 56 16.256 19.908 10.722 1.00 0.00 H ATOM 810 HG23 ILE A 56 15.242 21.339 10.413 1.00 0.00 H ATOM 811 H ILE A 56 15.951 21.441 15.107 1.00 0.00 H ATOM 812 N GLN A 57 18.977 20.563 12.593 1.00 30.70 N ATOM 813 CA GLN A 57 20.204 21.264 12.309 1.00 29.77 C ATOM 814 C GLN A 57 20.105 21.880 10.928 1.00 28.35 C ATOM 815 O GLN A 57 19.699 21.224 9.993 1.00 29.12 O ATOM 816 CB GLN A 57 21.392 20.307 12.299 1.00 29.28 C ATOM 817 CG GLN A 57 22.779 21.025 12.001 1.00 31.60 C ATOM 818 CD GLN A 57 23.966 20.105 12.095 1.00 38.36 C ATOM 819 OE1 GLN A 57 25.064 20.553 12.444 1.00 40.09 O ATOM 820 NE2 GLN A 57 23.823 18.887 11.635 1.00 34.70 N ATOM 821 HA GLN A 57 20.351 22.020 13.080 1.00 0.00 H ATOM 822 HB2 GLN A 57 21.455 19.824 13.274 1.00 0.00 H ATOM 823 HB3 GLN A 57 21.221 19.552 11.531 1.00 0.00 H ATOM 824 HG2 GLN A 57 22.743 21.440 10.994 1.00 0.00 H ATOM 825 HG3 GLN A 57 22.911 21.833 12.721 1.00 0.00 H ATOM 826 HE22 GLN A 57 22.883 18.545 11.351 1.00 0.00 H ATOM 827 HE21 GLN A 57 24.650 18.261 11.554 1.00 0.00 H ATOM 828 H GLN A 57 18.884 19.556 12.350 1.00 0.00 H ATOM 829 N ASN A 58 20.496 23.138 10.838 1.00 28.71 N ATOM 830 CA ASN A 58 20.714 23.790 9.519 1.00 28.09 C ATOM 831 C ASN A 58 22.178 24.132 9.405 1.00 30.90 C ATOM 832 O ASN A 58 22.651 25.061 10.077 1.00 31.07 O ATOM 833 CB ASN A 58 19.823 25.040 9.379 1.00 29.14 C ATOM 834 CG ASN A 58 20.064 25.796 8.070 1.00 32.23 C ATOM 835 OD1 ASN A 58 20.782 25.318 7.170 1.00 35.24 O ATOM 836 ND2 ASN A 58 19.497 27.007 7.972 1.00 38.02 N ATOM 837 HA ASN A 58 20.437 23.116 8.709 1.00 0.00 H ATOM 838 HB2 ASN A 58 18.779 24.730 9.415 1.00 0.00 H ATOM 839 HB3 ASN A 58 20.030 25.711 10.212 1.00 0.00 H ATOM 840 HD22 ASN A 58 18.905 27.368 8.747 1.00 0.00 H ATOM 841 HD21 ASN A 58 19.650 27.585 7.121 1.00 0.00 H ATOM 842 H ASN A 58 20.655 23.685 11.708 1.00 0.00 H ATOM 843 N THR A 59 22.897 23.411 8.525 1.00 30.77 N ATOM 844 CA THR A 59 24.341 23.690 8.388 1.00 32.16 C ATOM 845 C THR A 59 24.633 24.830 7.418 1.00 33.60 C ATOM 846 O THR A 59 25.808 25.252 7.298 1.00 36.14 O ATOM 847 CB THR A 59 25.118 22.504 7.880 1.00 30.07 C ATOM 848 OG1 THR A 59 24.657 22.146 6.587 1.00 31.61 O ATOM 849 CG2 THR A 59 24.955 21.289 8.868 1.00 30.84 C ATOM 850 HA THR A 59 24.651 23.953 9.399 1.00 0.00 H ATOM 851 HB THR A 59 26.174 22.768 7.820 1.00 0.00 H ATOM 852 HG1 THR A 59 23.696 21.913 6.633 1.00 0.00 H ATOM 853 HG23 THR A 59 25.312 21.576 9.857 1.00 0.00 H ATOM 854 HG21 THR A 59 23.903 21.009 8.927 1.00 0.00 H ATOM 855 HG22 THR A 59 25.537 20.444 8.501 1.00 0.00 H ATOM 856 H THR A 59 22.444 22.671 7.952 1.00 0.00 H ATOM 857 N GLY A 60 23.624 25.193 6.606 1.00 33.97 N ATOM 858 CA GLY A 60 23.824 26.201 5.523 1.00 34.02 C ATOM 859 C GLY A 60 23.991 25.452 4.212 1.00 34.30 C ATOM 860 O GLY A 60 23.709 26.018 3.117 1.00 35.77 O ATOM 861 HA3 GLY A 60 24.716 26.793 5.728 1.00 0.00 H ATOM 862 HA2 GLY A 60 22.958 26.860 5.466 1.00 0.00 H ATOM 863 H GLY A 60 22.686 24.763 6.735 1.00 0.00 H ATOM 864 N ASP A 61 24.431 24.186 4.305 1.00 31.25 N ATOM 865 CA ASP A 61 24.528 23.284 3.160 1.00 30.70 C ATOM 866 C ASP A 61 23.415 22.198 3.086 1.00 28.79 C ATOM 867 O ASP A 61 23.271 21.550 2.031 1.00 29.22 O ATOM 868 CB ASP A 61 25.904 22.619 3.144 1.00 31.23 C ATOM 869 CG ASP A 61 27.033 23.656 2.990 1.00 35.42 C ATOM 870 OD1 ASP A 61 26.942 24.420 2.016 1.00 36.04 O ATOM 871 OD2 ASP A 61 27.940 23.767 3.856 1.00 31.48 O ATOM 872 HA ASP A 61 24.384 23.909 2.279 1.00 0.00 H ATOM 873 HB2 ASP A 61 26.046 22.077 4.079 1.00 0.00 H ATOM 874 HB3 ASP A 61 25.950 21.919 2.309 1.00 0.00 H ATOM 875 H ASP A 61 24.717 23.830 5.239 1.00 0.00 H ATOM 876 N TYR A 62 22.772 21.944 4.226 1.00 28.68 N ATOM 877 CA TYR A 62 21.632 20.998 4.304 1.00 26.77 C ATOM 878 C TYR A 62 20.960 21.093 5.685 1.00 25.94 C ATOM 879 O TYR A 62 21.436 21.793 6.605 1.00 27.09 O ATOM 880 CB TYR A 62 22.110 19.521 4.024 1.00 27.44 C ATOM 881 CG TYR A 62 23.168 19.062 5.038 1.00 27.80 C ATOM 882 CD1 TYR A 62 22.760 18.549 6.276 1.00 30.10 C ATOM 883 CD2 TYR A 62 24.537 19.212 4.793 1.00 29.61 C ATOM 884 CE1 TYR A 62 23.685 18.130 7.252 1.00 33.46 C ATOM 885 CE2 TYR A 62 25.479 18.818 5.801 1.00 32.55 C ATOM 886 CZ TYR A 62 25.032 18.291 6.997 1.00 34.02 C ATOM 887 OH TYR A 62 25.918 17.860 8.005 1.00 35.80 O ATOM 888 HA TYR A 62 20.904 21.269 3.539 1.00 0.00 H ATOM 889 HB3 TYR A 62 22.536 19.472 3.022 1.00 0.00 H ATOM 890 HB2 TYR A 62 21.250 18.854 4.085 1.00 0.00 H ATOM 891 HD2 TYR A 62 24.885 19.624 3.846 1.00 0.00 H ATOM 892 HE2 TYR A 62 26.548 18.935 5.623 1.00 0.00 H ATOM 893 HE1 TYR A 62 23.345 17.688 8.188 1.00 0.00 H ATOM 894 HD1 TYR A 62 21.694 18.472 6.491 1.00 0.00 H ATOM 895 HH TYR A 62 25.398 17.518 8.775 1.00 0.00 H ATOM 896 H TYR A 62 23.081 22.427 5.093 1.00 0.00 H ATOM 897 N TYR A 63 19.803 20.407 5.819 1.00 24.90 N ATOM 898 CA TYR A 63 19.152 20.259 7.106 1.00 25.59 C ATOM 899 C TYR A 63 19.222 18.787 7.441 1.00 24.42 C ATOM 900 O TYR A 63 19.087 17.906 6.546 1.00 26.65 O ATOM 901 CB TYR A 63 17.663 20.600 6.936 1.00 24.83 C ATOM 902 CG TYR A 63 17.398 22.053 6.629 1.00 23.86 C ATOM 903 CD1 TYR A 63 17.086 22.907 7.648 1.00 28.28 C ATOM 904 CD2 TYR A 63 17.438 22.553 5.289 1.00 25.74 C ATOM 905 CE1 TYR A 63 16.831 24.264 7.386 1.00 28.23 C ATOM 906 CE2 TYR A 63 17.166 23.844 5.026 1.00 27.77 C ATOM 907 CZ TYR A 63 16.877 24.695 6.084 1.00 28.02 C ATOM 908 OH TYR A 63 16.584 26.024 5.842 1.00 32.31 O ATOM 909 HA TYR A 63 19.614 20.893 7.863 1.00 0.00 H ATOM 910 HB3 TYR A 63 17.145 20.345 7.860 1.00 0.00 H ATOM 911 HB2 TYR A 63 17.264 19.998 6.119 1.00 0.00 H ATOM 912 HD2 TYR A 63 17.692 21.879 4.471 1.00 0.00 H ATOM 913 HE2 TYR A 63 17.172 24.215 4.001 1.00 0.00 H ATOM 914 HE1 TYR A 63 16.603 24.956 8.196 1.00 0.00 H ATOM 915 HD1 TYR A 63 17.034 22.534 8.671 1.00 0.00 H ATOM 916 HH TYR A 63 16.404 26.483 6.701 1.00 0.00 H ATOM 917 H TYR A 63 19.369 19.975 4.978 1.00 0.00 H ATOM 918 N ASP A 64 19.327 18.483 8.716 1.00 28.11 N ATOM 919 CA ASP A 64 19.138 17.103 9.128 1.00 28.71 C ATOM 920 C ASP A 64 18.764 17.183 10.591 1.00 31.10 C ATOM 921 O ASP A 64 18.536 18.257 11.123 1.00 31.55 O ATOM 922 CB ASP A 64 20.428 16.266 8.941 1.00 30.56 C ATOM 923 CG ASP A 64 21.564 16.633 9.924 1.00 30.55 C ATOM 924 OD1 ASP A 64 21.500 17.577 10.760 1.00 36.01 O ATOM 925 OD2 ASP A 64 22.613 15.916 9.852 1.00 35.56 O ATOM 926 HA ASP A 64 18.374 16.609 8.527 1.00 0.00 H ATOM 927 HB2 ASP A 64 20.178 15.215 9.083 1.00 0.00 H ATOM 928 HB3 ASP A 64 20.791 16.418 7.925 1.00 0.00 H ATOM 929 H ASP A 64 19.542 19.219 9.418 1.00 0.00 H ATOM 930 N LEU A 65 18.711 16.024 11.245 1.00 32.13 N ATOM 931 CA LEU A 65 18.358 15.960 12.656 1.00 32.87 C ATOM 932 C LEU A 65 19.592 15.735 13.579 1.00 36.21 C ATOM 933 O LEU A 65 19.501 15.006 14.598 1.00 36.28 O ATOM 934 CB LEU A 65 17.326 14.821 12.831 1.00 32.46 C ATOM 935 CG LEU A 65 16.012 15.103 12.109 1.00 32.05 C ATOM 936 CD1 LEU A 65 15.018 14.043 12.521 1.00 33.22 C ATOM 937 CD2 LEU A 65 15.443 16.419 12.527 1.00 31.07 C ATOM 938 HA LEU A 65 17.937 16.919 12.958 1.00 0.00 H ATOM 939 HB2 LEU A 65 17.752 13.900 12.434 1.00 0.00 H ATOM 940 HB3 LEU A 65 17.121 14.696 13.894 1.00 0.00 H ATOM 941 HG LEU A 65 16.198 15.109 11.035 1.00 0.00 H ATOM 942 HD21 LEU A 65 15.257 16.408 13.601 1.00 0.00 H ATOM 943 HD22 LEU A 65 16.151 17.212 12.287 1.00 0.00 H ATOM 944 HD23 LEU A 65 14.507 16.594 11.997 1.00 0.00 H ATOM 945 HD11 LEU A 65 15.399 13.061 12.241 1.00 0.00 H ATOM 946 HD12 LEU A 65 14.872 14.084 13.600 1.00 0.00 H ATOM 947 HD13 LEU A 65 14.068 14.222 12.018 1.00 0.00 H ATOM 948 H LEU A 65 18.927 15.143 10.735 1.00 0.00 H ATOM 949 N TYR A 66 20.703 16.381 13.209 1.00 34.87 N ATOM 950 CA TYR A 66 22.026 16.065 13.753 1.00 39.40 C ATOM 951 C TYR A 66 22.320 14.597 13.584 1.00 40.55 C ATOM 952 O TYR A 66 22.816 13.950 14.510 1.00 44.06 O ATOM 953 CB TYR A 66 22.145 16.522 15.201 1.00 40.29 C ATOM 954 CG TYR A 66 22.119 18.030 15.373 1.00 40.79 C ATOM 955 CD1 TYR A 66 23.281 18.801 15.254 1.00 41.08 C ATOM 956 CD2 TYR A 66 20.926 18.681 15.667 1.00 42.63 C ATOM 957 CE1 TYR A 66 23.246 20.190 15.435 1.00 42.22 C ATOM 958 CE2 TYR A 66 20.887 20.068 15.849 1.00 44.96 C ATOM 959 CZ TYR A 66 22.071 20.801 15.754 1.00 45.97 C ATOM 960 OH TYR A 66 21.970 22.146 15.923 1.00 48.87 O ATOM 961 HA TYR A 66 22.782 16.615 13.192 1.00 0.00 H ATOM 962 HB3 TYR A 66 23.086 16.146 15.604 1.00 0.00 H ATOM 963 HB2 TYR A 66 21.314 16.097 15.765 1.00 0.00 H ATOM 964 HD2 TYR A 66 20.007 18.102 15.757 1.00 0.00 H ATOM 965 HE2 TYR A 66 19.943 20.570 16.062 1.00 0.00 H ATOM 966 HE1 TYR A 66 24.156 20.780 15.321 1.00 0.00 H ATOM 967 HD1 TYR A 66 24.227 18.314 15.017 1.00 0.00 H ATOM 968 HH TYR A 66 21.365 22.520 15.234 1.00 0.00 H ATOM 969 H TYR A 66 20.624 17.141 12.504 1.00 0.00 H ATOM 970 N GLY A 67 22.046 14.079 12.390 1.00 38.98 N ATOM 971 CA GLY A 67 22.216 12.681 12.037 1.00 39.69 C ATOM 972 C GLY A 67 21.226 12.355 10.943 1.00 39.54 C ATOM 973 O GLY A 67 20.303 13.157 10.685 1.00 37.72 O ATOM 974 HA3 GLY A 67 22.027 12.053 12.908 1.00 0.00 H ATOM 975 HA2 GLY A 67 23.232 12.509 11.681 1.00 0.00 H ATOM 976 H GLY A 67 21.684 14.721 11.657 1.00 0.00 H ATOM 977 N GLY A 68 21.382 11.192 10.307 1.00 39.46 N ATOM 978 CA GLY A 68 20.343 10.681 9.412 1.00 39.41 C ATOM 979 C GLY A 68 20.418 11.380 8.040 1.00 39.37 C ATOM 980 O GLY A 68 21.396 12.065 7.765 1.00 37.78 O ATOM 981 HA3 GLY A 68 19.365 10.866 9.856 1.00 0.00 H ATOM 982 HA2 GLY A 68 20.482 9.608 9.276 1.00 0.00 H ATOM 983 H GLY A 68 22.253 10.642 10.449 1.00 0.00 H ATOM 984 N GLU A 69 19.415 11.167 7.193 1.00 37.18 N ATOM 985 CA GLU A 69 19.469 11.676 5.807 1.00 37.38 C ATOM 986 C GLU A 69 19.599 13.212 5.783 1.00 33.63 C ATOM 987 O GLU A 69 19.143 13.903 6.691 1.00 32.45 O ATOM 988 CB GLU A 69 18.251 11.157 5.019 1.00 39.41 C ATOM 989 CG GLU A 69 18.368 11.439 3.493 1.00 44.89 C ATOM 990 CD GLU A 69 17.494 10.548 2.656 1.00 54.13 C ATOM 991 OE1 GLU A 69 17.363 9.382 3.079 1.00 59.49 O ATOM 992 OE2 GLU A 69 16.975 10.994 1.570 1.00 58.11 O ATOM 993 HA GLU A 69 20.363 11.297 5.312 1.00 0.00 H ATOM 994 HB2 GLU A 69 18.168 10.081 5.171 1.00 0.00 H ATOM 995 HB3 GLU A 69 17.354 11.647 5.398 1.00 0.00 H ATOM 996 HG2 GLU A 69 18.083 12.475 3.309 1.00 0.00 H ATOM 997 HG3 GLU A 69 19.405 11.289 3.192 1.00 0.00 H ATOM 998 H GLU A 69 18.580 10.634 7.511 1.00 0.00 H ATOM 999 N LYS A 70 20.252 13.746 4.745 1.00 31.55 N ATOM 1000 CA LYS A 70 20.426 15.187 4.578 1.00 30.76 C ATOM 1001 C LYS A 70 19.409 15.724 3.578 1.00 29.33 C ATOM 1002 O LYS A 70 19.101 15.002 2.576 1.00 31.92 O ATOM 1003 CB LYS A 70 21.818 15.504 4.013 1.00 32.72 C ATOM 1004 CG LYS A 70 22.913 15.175 5.044 1.00 36.86 C ATOM 1005 CD LYS A 70 24.272 15.342 4.393 1.00 34.11 C ATOM 1006 CE LYS A 70 25.417 15.171 5.423 1.00 40.93 C ATOM 1007 NZ LYS A 70 25.427 13.856 6.157 1.00 42.82 N ATOM 1008 HA LYS A 70 20.297 15.647 5.558 1.00 0.00 H ATOM 1009 HB2 LYS A 70 21.983 14.910 3.114 1.00 0.00 H ATOM 1010 HB3 LYS A 70 21.870 16.563 3.762 1.00 0.00 H ATOM 1011 HG2 LYS A 70 22.829 15.852 5.894 1.00 0.00 H ATOM 1012 HG3 LYS A 70 22.796 14.147 5.386 1.00 0.00 H ATOM 1013 HD2 LYS A 70 24.385 14.593 3.609 1.00 0.00 H ATOM 1014 HD3 LYS A 70 24.335 16.338 3.954 1.00 0.00 H ATOM 1015 HE2 LYS A 70 25.330 15.969 6.161 1.00 0.00 H ATOM 1016 HE3 LYS A 70 26.365 15.269 4.894 1.00 0.00 H ATOM 1017 HZ1 LYS A 70 24.536 13.747 6.682 1.00 0.00 H ATOM 1018 HZ2 LYS A 70 25.525 13.079 5.473 1.00 0.00 H ATOM 1019 HZ3 LYS A 70 26.227 13.837 6.821 1.00 0.00 H ATOM 1020 H LYS A 70 20.652 13.109 4.027 1.00 0.00 H ATOM 1021 N PHE A 71 18.890 16.937 3.855 1.00 27.86 N ATOM 1022 CA PHE A 71 17.846 17.534 2.960 1.00 25.54 C ATOM 1023 C PHE A 71 18.189 18.951 2.584 1.00 24.92 C ATOM 1024 O PHE A 71 18.836 19.647 3.353 1.00 25.87 O ATOM 1025 CB PHE A 71 16.500 17.553 3.675 1.00 26.04 C ATOM 1026 CG PHE A 71 16.112 16.175 4.199 1.00 24.81 C ATOM 1027 CD1 PHE A 71 15.519 15.243 3.347 1.00 29.08 C ATOM 1028 CD2 PHE A 71 16.414 15.833 5.492 1.00 25.98 C ATOM 1029 CE1 PHE A 71 15.180 13.938 3.848 1.00 29.63 C ATOM 1030 CE2 PHE A 71 16.078 14.564 5.984 1.00 28.66 C ATOM 1031 CZ PHE A 71 15.490 13.623 5.171 1.00 29.42 C ATOM 1032 HA PHE A 71 17.801 16.921 2.060 1.00 0.00 H ATOM 1033 HB2 PHE A 71 16.557 18.246 4.515 1.00 0.00 H ATOM 1034 HB3 PHE A 71 15.735 17.892 2.977 1.00 0.00 H ATOM 1035 HD2 PHE A 71 16.917 16.551 6.140 1.00 0.00 H ATOM 1036 HE2 PHE A 71 16.286 14.319 7.026 1.00 0.00 H ATOM 1037 HZ PHE A 71 15.266 12.630 5.561 1.00 0.00 H ATOM 1038 HE1 PHE A 71 14.689 13.208 3.205 1.00 0.00 H ATOM 1039 HD1 PHE A 71 15.314 15.502 2.308 1.00 0.00 H ATOM 1040 H PHE A 71 19.215 17.461 4.693 1.00 0.00 H ATOM 1041 N ALA A 72 17.747 19.375 1.384 1.00 23.75 N ATOM 1042 CA ALA A 72 17.984 20.750 0.983 1.00 23.07 C ATOM 1043 C ALA A 72 17.078 21.751 1.737 1.00 24.30 C ATOM 1044 O ALA A 72 17.477 22.918 1.868 1.00 23.32 O ATOM 1045 CB ALA A 72 17.757 20.895 -0.542 1.00 24.95 C ATOM 1046 HA ALA A 72 19.017 20.988 1.238 1.00 0.00 H ATOM 1047 HB1 ALA A 72 18.445 20.239 -1.075 1.00 0.00 H ATOM 1048 HB2 ALA A 72 16.730 20.619 -0.783 1.00 0.00 H ATOM 1049 HB3 ALA A 72 17.936 21.929 -0.838 1.00 0.00 H ATOM 1050 H ALA A 72 17.241 18.723 0.751 1.00 0.00 H ATOM 1051 N THR A 73 15.834 21.359 2.113 1.00 23.82 N ATOM 1052 CA THR A 73 14.871 22.295 2.706 1.00 23.70 C ATOM 1053 C THR A 73 14.204 21.648 3.891 1.00 22.46 C ATOM 1054 O THR A 73 14.216 20.395 4.037 1.00 23.06 O ATOM 1055 CB THR A 73 13.748 22.711 1.711 1.00 22.69 C ATOM 1056 OG1 THR A 73 12.946 21.554 1.391 1.00 25.41 O ATOM 1057 CG2 THR A 73 14.353 23.275 0.343 1.00 22.49 C ATOM 1058 HA THR A 73 15.435 23.183 2.990 1.00 0.00 H ATOM 1059 HB THR A 73 13.155 23.491 2.189 1.00 0.00 H ATOM 1060 HG1 THR A 73 12.231 21.815 0.758 1.00 0.00 H ATOM 1061 HG23 THR A 73 14.966 24.152 0.552 1.00 0.00 H ATOM 1062 HG21 THR A 73 14.966 22.506 -0.126 1.00 0.00 H ATOM 1063 HG22 THR A 73 13.538 23.551 -0.327 1.00 0.00 H ATOM 1064 H THR A 73 15.555 20.366 1.977 1.00 0.00 H ATOM 1065 N LEU A 74 13.679 22.509 4.767 1.00 22.77 N ATOM 1066 CA LEU A 74 12.995 22.005 5.950 1.00 22.50 C ATOM 1067 C LEU A 74 11.771 21.232 5.476 1.00 21.89 C ATOM 1068 O LEU A 74 11.452 20.162 6.037 1.00 22.20 O ATOM 1069 CB LEU A 74 12.585 23.188 6.823 1.00 23.55 C ATOM 1070 CG LEU A 74 11.774 22.929 8.101 1.00 30.18 C ATOM 1071 CD1 LEU A 74 12.539 21.920 8.989 1.00 32.81 C ATOM 1072 CD2 LEU A 74 11.693 24.413 8.722 1.00 37.44 C ATOM 1073 HA LEU A 74 13.638 21.350 6.538 1.00 0.00 H ATOM 1074 HB2 LEU A 74 13.502 23.695 7.124 1.00 0.00 H ATOM 1075 HB3 LEU A 74 11.991 23.855 6.198 1.00 0.00 H ATOM 1076 HG LEU A 74 10.787 22.485 7.972 1.00 0.00 H ATOM 1077 HD21 LEU A 74 12.701 24.781 8.914 1.00 0.00 H ATOM 1078 HD22 LEU A 74 11.192 25.074 8.015 1.00 0.00 H ATOM 1079 HD23 LEU A 74 11.132 24.385 9.656 1.00 0.00 H ATOM 1080 HD11 LEU A 74 12.673 20.986 8.443 1.00 0.00 H ATOM 1081 HD12 LEU A 74 13.513 22.333 9.249 1.00 0.00 H ATOM 1082 HD13 LEU A 74 11.968 21.732 9.898 1.00 0.00 H ATOM 1083 H LEU A 74 13.758 23.533 4.605 1.00 0.00 H ATOM 1084 N ALA A 75 11.066 21.719 4.464 1.00 22.05 N ATOM 1085 CA ALA A 75 9.847 21.019 4.084 1.00 23.38 C ATOM 1086 C ALA A 75 10.173 19.593 3.553 1.00 24.16 C ATOM 1087 O ALA A 75 9.411 18.633 3.761 1.00 23.92 O ATOM 1088 CB ALA A 75 9.111 21.827 2.965 1.00 24.01 C ATOM 1089 HA ALA A 75 9.210 20.929 4.964 1.00 0.00 H ATOM 1090 HB1 ALA A 75 8.860 22.819 3.340 1.00 0.00 H ATOM 1091 HB2 ALA A 75 9.764 21.920 2.097 1.00 0.00 H ATOM 1092 HB3 ALA A 75 8.199 21.303 2.681 1.00 0.00 H ATOM 1093 H ALA A 75 11.374 22.574 3.958 1.00 0.00 H ATOM 1094 N GLU A 76 11.287 19.426 2.839 1.00 22.63 N ATOM 1095 CA GLU A 76 11.675 18.092 2.372 1.00 24.11 C ATOM 1096 C GLU A 76 12.007 17.172 3.541 1.00 22.44 C ATOM 1097 O GLU A 76 11.661 15.971 3.495 1.00 23.55 O ATOM 1098 CB GLU A 76 12.956 18.275 1.519 1.00 26.62 C ATOM 1099 CG GLU A 76 13.384 17.059 0.874 1.00 34.75 C ATOM 1100 CD GLU A 76 14.889 17.116 0.436 1.00 40.23 C ATOM 1101 OE1 GLU A 76 15.604 18.144 0.306 1.00 33.50 O ATOM 1102 OE2 GLU A 76 15.337 16.002 0.152 1.00 43.79 O ATOM 1103 HA GLU A 76 10.855 17.645 1.809 1.00 0.00 H ATOM 1104 HB2 GLU A 76 12.758 19.024 0.752 1.00 0.00 H ATOM 1105 HB3 GLU A 76 13.759 18.625 2.168 1.00 0.00 H ATOM 1106 HG2 GLU A 76 13.252 16.229 1.567 1.00 0.00 H ATOM 1107 HG3 GLU A 76 12.767 16.895 -0.010 1.00 0.00 H ATOM 1108 H GLU A 76 11.884 20.247 2.612 1.00 0.00 H ATOM 1109 N LEU A 77 12.636 17.723 4.567 1.00 20.01 N ATOM 1110 CA LEU A 77 12.913 16.940 5.810 1.00 21.44 C ATOM 1111 C LEU A 77 11.580 16.417 6.408 1.00 21.75 C ATOM 1112 O LEU A 77 11.442 15.240 6.760 1.00 21.01 O ATOM 1113 CB LEU A 77 13.651 17.821 6.820 1.00 22.32 C ATOM 1114 CG LEU A 77 14.096 17.137 8.160 1.00 25.57 C ATOM 1115 CD1 LEU A 77 15.395 17.851 8.686 1.00 24.30 C ATOM 1116 CD2 LEU A 77 13.017 17.171 9.228 1.00 27.06 C ATOM 1117 HA LEU A 77 13.544 16.084 5.570 1.00 0.00 H ATOM 1118 HB2 LEU A 77 14.547 18.205 6.331 1.00 0.00 H ATOM 1119 HB3 LEU A 77 12.994 18.652 7.076 1.00 0.00 H ATOM 1120 HG LEU A 77 14.290 16.085 7.948 1.00 0.00 H ATOM 1121 HD21 LEU A 77 12.762 18.207 9.452 1.00 0.00 H ATOM 1122 HD22 LEU A 77 12.132 16.648 8.865 1.00 0.00 H ATOM 1123 HD23 LEU A 77 13.385 16.683 10.130 1.00 0.00 H ATOM 1124 HD11 LEU A 77 16.186 17.757 7.942 1.00 0.00 H ATOM 1125 HD12 LEU A 77 15.183 18.906 8.862 1.00 0.00 H ATOM 1126 HD13 LEU A 77 15.713 17.383 9.618 1.00 0.00 H ATOM 1127 H LEU A 77 12.942 18.715 4.508 1.00 0.00 H ATOM 1128 N VAL A 78 10.674 17.332 6.582 1.00 22.75 N ATOM 1129 CA VAL A 78 9.399 16.991 7.213 1.00 23.51 C ATOM 1130 C VAL A 78 8.695 15.960 6.352 1.00 23.28 C ATOM 1131 O VAL A 78 8.194 14.944 6.856 1.00 24.20 O ATOM 1132 CB VAL A 78 8.541 18.243 7.459 1.00 22.66 C ATOM 1133 CG1 VAL A 78 7.061 17.783 7.897 1.00 26.73 C ATOM 1134 CG2 VAL A 78 9.182 19.130 8.597 1.00 25.06 C ATOM 1135 HA VAL A 78 9.576 16.559 8.198 1.00 0.00 H ATOM 1136 HB VAL A 78 8.492 18.834 6.544 1.00 0.00 H ATOM 1137 HG11 VAL A 78 6.618 17.182 7.102 1.00 0.00 H ATOM 1138 HG12 VAL A 78 7.121 17.191 8.811 1.00 0.00 H ATOM 1139 HG13 VAL A 78 6.445 18.665 8.074 1.00 0.00 H ATOM 1140 HG21 VAL A 78 9.240 18.550 9.518 1.00 0.00 H ATOM 1141 HG22 VAL A 78 10.183 19.437 8.296 1.00 0.00 H ATOM 1142 HG23 VAL A 78 8.563 20.013 8.760 1.00 0.00 H ATOM 1143 H VAL A 78 10.856 18.308 6.272 1.00 0.00 H ATOM 1144 N GLN A 79 8.666 16.184 5.039 1.00 23.35 N ATOM 1145 CA GLN A 79 7.976 15.232 4.160 1.00 24.90 C ATOM 1146 C GLN A 79 8.598 13.850 4.256 1.00 25.58 C ATOM 1147 O GLN A 79 7.910 12.804 4.284 1.00 26.57 O ATOM 1148 CB GLN A 79 8.065 15.723 2.672 1.00 25.31 C ATOM 1149 CG GLN A 79 7.485 14.720 1.705 1.00 32.49 C ATOM 1150 CD GLN A 79 7.670 15.171 0.230 1.00 44.94 C ATOM 1151 OE1 GLN A 79 8.778 15.618 -0.183 1.00 50.96 O ATOM 1152 NE2 GLN A 79 6.636 14.971 -0.566 1.00 52.02 N ATOM 1153 HA GLN A 79 6.935 15.175 4.478 1.00 0.00 H ATOM 1154 HB2 GLN A 79 7.516 16.660 2.578 1.00 0.00 H ATOM 1155 HB3 GLN A 79 9.112 15.890 2.419 1.00 0.00 H ATOM 1156 HG2 GLN A 79 7.985 13.762 1.847 1.00 0.00 H ATOM 1157 HG3 GLN A 79 6.420 14.607 1.909 1.00 0.00 H ATOM 1158 HE22 GLN A 79 5.745 14.601 -0.178 1.00 0.00 H ATOM 1159 HE21 GLN A 79 6.713 15.183 -1.581 1.00 0.00 H ATOM 1160 H GLN A 79 9.128 17.026 4.640 1.00 0.00 H ATOM 1161 N TYR A 80 9.928 13.803 4.265 1.00 24.49 N ATOM 1162 CA TYR A 80 10.614 12.526 4.342 1.00 25.31 C ATOM 1163 C TYR A 80 10.198 11.739 5.605 1.00 25.75 C ATOM 1164 O TYR A 80 9.858 10.546 5.501 1.00 27.45 O ATOM 1165 CB TYR A 80 12.125 12.768 4.341 1.00 24.44 C ATOM 1166 CG TYR A 80 12.900 11.448 4.489 1.00 26.56 C ATOM 1167 CD1 TYR A 80 13.192 10.963 5.755 1.00 29.33 C ATOM 1168 CD2 TYR A 80 13.305 10.734 3.361 1.00 32.51 C ATOM 1169 CE1 TYR A 80 13.855 9.725 5.943 1.00 34.06 C ATOM 1170 CE2 TYR A 80 13.999 9.468 3.508 1.00 37.02 C ATOM 1171 CZ TYR A 80 14.257 9.008 4.815 1.00 41.26 C ATOM 1172 OH TYR A 80 14.905 7.836 5.047 1.00 45.03 O ATOM 1173 HA TYR A 80 10.335 11.926 3.475 1.00 0.00 H ATOM 1174 HB3 TYR A 80 12.381 13.426 5.172 1.00 0.00 H ATOM 1175 HB2 TYR A 80 12.409 13.244 3.402 1.00 0.00 H ATOM 1176 HD2 TYR A 80 13.099 11.128 2.366 1.00 0.00 H ATOM 1177 HE2 TYR A 80 14.310 8.892 2.637 1.00 0.00 H ATOM 1178 HE1 TYR A 80 14.047 9.342 6.945 1.00 0.00 H ATOM 1179 HD1 TYR A 80 12.904 11.549 6.628 1.00 0.00 H ATOM 1180 HH TYR A 80 14.987 7.693 6.023 1.00 0.00 H ATOM 1181 H TYR A 80 10.478 14.684 4.217 1.00 0.00 H ATOM 1182 N TYR A 81 10.203 12.393 6.777 1.00 25.22 N ATOM 1183 CA TYR A 81 9.872 11.655 7.994 1.00 25.77 C ATOM 1184 C TYR A 81 8.366 11.405 8.136 1.00 27.24 C ATOM 1185 O TYR A 81 7.951 10.459 8.842 1.00 28.21 O ATOM 1186 CB TYR A 81 10.423 12.388 9.184 1.00 26.22 C ATOM 1187 CG TYR A 81 11.908 12.220 9.213 1.00 26.71 C ATOM 1188 CD1 TYR A 81 12.479 10.941 9.443 1.00 26.19 C ATOM 1189 CD2 TYR A 81 12.757 13.342 9.065 1.00 25.42 C ATOM 1190 CE1 TYR A 81 13.885 10.793 9.449 1.00 31.83 C ATOM 1191 CE2 TYR A 81 14.188 13.200 9.089 1.00 30.80 C ATOM 1192 CZ TYR A 81 14.721 11.918 9.300 1.00 32.12 C ATOM 1193 OH TYR A 81 16.094 11.746 9.349 1.00 34.79 O ATOM 1194 HA TYR A 81 10.334 10.670 7.932 1.00 0.00 H ATOM 1195 HB3 TYR A 81 9.991 11.980 10.098 1.00 0.00 H ATOM 1196 HB2 TYR A 81 10.176 13.447 9.108 1.00 0.00 H ATOM 1197 HD2 TYR A 81 12.319 14.331 8.930 1.00 0.00 H ATOM 1198 HE2 TYR A 81 14.840 14.062 8.948 1.00 0.00 H ATOM 1199 HE1 TYR A 81 14.325 9.803 9.570 1.00 0.00 H ATOM 1200 HD1 TYR A 81 11.837 10.077 9.614 1.00 0.00 H ATOM 1201 HH TYR A 81 16.300 10.790 9.503 1.00 0.00 H ATOM 1202 H TYR A 81 10.438 13.405 6.818 1.00 0.00 H ATOM 1203 N MET A 82 7.536 12.202 7.458 1.00 25.60 N ATOM 1204 CA MET A 82 6.088 11.835 7.361 1.00 28.92 C ATOM 1205 C MET A 82 5.861 10.593 6.494 1.00 30.08 C ATOM 1206 O MET A 82 4.992 9.723 6.825 1.00 31.48 O ATOM 1207 CB MET A 82 5.262 12.971 6.773 1.00 27.39 C ATOM 1208 CG MET A 82 5.042 14.082 7.776 1.00 29.17 C ATOM 1209 SD MET A 82 3.963 15.329 7.064 1.00 32.37 S ATOM 1210 CE MET A 82 2.440 14.490 7.007 1.00 32.14 C ATOM 1211 HA MET A 82 5.770 11.627 8.383 1.00 0.00 H ATOM 1212 HB2 MET A 82 5.784 13.376 5.906 1.00 0.00 H ATOM 1213 HB3 MET A 82 4.294 12.579 6.462 1.00 0.00 H ATOM 1214 HG2 MET A 82 6.000 14.534 8.033 1.00 0.00 H ATOM 1215 HG3 MET A 82 4.581 13.674 8.675 1.00 0.00 H ATOM 1216 HE1 MET A 82 2.539 13.601 6.384 1.00 0.00 H ATOM 1217 HE2 MET A 82 2.150 14.197 8.016 1.00 0.00 H ATOM 1218 HE3 MET A 82 1.680 15.148 6.586 1.00 0.00 H ATOM 1219 H MET A 82 7.891 13.067 7.003 1.00 0.00 H ATOM 1220 N GLU A 83 6.640 10.477 5.409 1.00 29.32 N ATOM 1221 CA GLU A 83 6.506 9.354 4.502 1.00 31.00 C ATOM 1222 C GLU A 83 7.237 8.084 4.879 1.00 33.36 C ATOM 1223 O GLU A 83 6.890 7.012 4.348 1.00 36.00 O ATOM 1224 CB GLU A 83 6.984 9.752 3.101 1.00 30.91 C ATOM 1225 CG GLU A 83 6.073 10.733 2.442 1.00 32.83 C ATOM 1226 CD GLU A 83 6.652 11.227 1.087 1.00 34.78 C ATOM 1227 OE1 GLU A 83 7.870 11.009 0.770 1.00 37.58 O ATOM 1228 OE2 GLU A 83 5.875 11.846 0.351 1.00 39.55 O ATOM 1229 HA GLU A 83 5.442 9.120 4.549 1.00 0.00 H ATOM 1230 HB2 GLU A 83 7.976 10.197 3.183 1.00 0.00 H ATOM 1231 HB3 GLU A 83 7.039 8.856 2.483 1.00 0.00 H ATOM 1232 HG2 GLU A 83 5.109 10.257 2.263 1.00 0.00 H ATOM 1233 HG3 GLU A 83 5.937 11.589 3.103 1.00 0.00 H ATOM 1234 H GLU A 83 7.355 11.207 5.214 1.00 0.00 H ATOM 1235 N HIS A 84 8.250 8.176 5.727 1.00 37.52 N ATOM 1236 CA HIS A 84 9.077 7.025 6.083 1.00 39.91 C ATOM 1237 C HIS A 84 8.917 6.816 7.578 1.00 41.74 C ATOM 1238 O HIS A 84 9.639 7.414 8.373 1.00 40.08 O ATOM 1239 CB HIS A 84 10.558 7.235 5.723 1.00 35.76 C ATOM 1240 CG HIS A 84 10.788 7.472 4.261 1.00 37.57 C ATOM 1241 ND1 HIS A 84 10.629 8.710 3.676 1.00 35.14 N ATOM 1242 CD2 HIS A 84 11.095 6.621 3.257 1.00 41.64 C ATOM 1243 CE1 HIS A 84 10.877 8.622 2.380 1.00 37.94 C ATOM 1244 NE2 HIS A 84 11.172 7.368 2.099 1.00 37.43 N ATOM 1245 HA HIS A 84 8.753 6.150 5.519 1.00 0.00 H ATOM 1246 HB2 HIS A 84 10.929 8.098 6.276 1.00 0.00 H ATOM 1247 HB3 HIS A 84 11.116 6.347 6.021 1.00 0.00 H ATOM 1248 HD2 HIS A 84 11.252 5.546 3.345 1.00 0.00 H ATOM 1249 HE1 HIS A 84 10.843 9.445 1.666 1.00 0.00 H ATOM 1250 H HIS A 84 8.464 9.100 6.154 1.00 0.00 H ATOM 1251 N HIS A 85 7.949 5.987 7.947 1.00 48.82 N ATOM 1252 CA HIS A 85 7.571 5.867 9.344 1.00 51.97 C ATOM 1253 C HIS A 85 8.618 4.985 10.051 1.00 53.13 C ATOM 1254 O HIS A 85 9.263 4.114 9.438 1.00 55.53 O ATOM 1255 CB HIS A 85 6.134 5.310 9.482 1.00 59.79 C ATOM 1256 CG HIS A 85 5.038 6.364 9.493 1.00 64.26 C ATOM 1257 ND1 HIS A 85 5.244 7.697 9.177 1.00 65.13 N ATOM 1258 CD2 HIS A 85 3.712 6.253 9.768 1.00 74.83 C ATOM 1259 CE1 HIS A 85 4.098 8.356 9.260 1.00 66.95 C ATOM 1260 NE2 HIS A 85 3.153 7.502 9.616 1.00 76.12 N ATOM 1261 HA HIS A 85 7.558 6.847 9.821 1.00 0.00 H ATOM 1262 HB2 HIS A 85 5.949 4.637 8.644 1.00 0.00 H ATOM 1263 HB3 HIS A 85 6.076 4.750 10.415 1.00 0.00 H ATOM 1264 HD2 HIS A 85 3.187 5.342 10.056 1.00 0.00 H ATOM 1265 HE1 HIS A 85 3.958 9.420 9.068 1.00 0.00 H ATOM 1266 H HIS A 85 7.456 5.418 7.229 1.00 0.00 H ATOM 1267 N GLY A 86 8.824 5.226 11.335 1.00 52.37 N ATOM 1268 CA GLY A 86 9.791 4.376 12.067 1.00 55.29 C ATOM 1269 C GLY A 86 11.286 4.653 11.886 1.00 52.67 C ATOM 1270 O GLY A 86 12.128 3.821 12.252 1.00 55.87 O ATOM 1271 HA3 GLY A 86 9.614 3.346 11.758 1.00 0.00 H ATOM 1272 HA2 GLY A 86 9.570 4.478 13.130 1.00 0.00 H ATOM 1273 H GLY A 86 8.318 5.995 11.820 1.00 0.00 H ATOM 1274 N GLN A 87 11.614 5.818 11.349 1.00 48.05 N ATOM 1275 CA GLN A 87 12.996 6.241 11.192 1.00 46.63 C ATOM 1276 C GLN A 87 13.472 7.007 12.402 1.00 45.04 C ATOM 1277 O GLN A 87 14.663 7.269 12.493 1.00 47.32 O ATOM 1278 CB GLN A 87 13.212 7.104 9.915 1.00 44.52 C ATOM 1279 CG GLN A 87 12.890 6.379 8.604 1.00 47.48 C ATOM 1280 CD GLN A 87 13.759 5.165 8.371 1.00 52.45 C ATOM 1281 OE1 GLN A 87 14.973 5.274 8.228 1.00 53.97 O ATOM 1282 NE2 GLN A 87 13.142 3.989 8.362 1.00 60.65 N ATOM 1283 HA GLN A 87 13.583 5.329 11.086 1.00 0.00 H ATOM 1284 HB2 GLN A 87 12.573 7.984 9.985 1.00 0.00 H ATOM 1285 HB3 GLN A 87 14.256 7.416 9.886 1.00 0.00 H ATOM 1286 HG2 GLN A 87 11.848 6.061 8.630 1.00 0.00 H ATOM 1287 HG3 GLN A 87 13.036 7.074 7.777 1.00 0.00 H ATOM 1288 HE22 GLN A 87 12.111 3.942 8.487 1.00 0.00 H ATOM 1289 HE21 GLN A 87 13.690 3.115 8.230 1.00 0.00 H ATOM 1290 H GLN A 87 10.856 6.453 11.028 1.00 0.00 H ATOM 1291 N LEU A 88 12.575 7.412 13.307 1.00 43.53 N ATOM 1292 CA LEU A 88 13.000 8.122 14.517 1.00 43.19 C ATOM 1293 C LEU A 88 12.525 7.271 15.672 1.00 47.85 C ATOM 1294 O LEU A 88 11.366 6.898 15.708 1.00 49.56 O ATOM 1295 CB LEU A 88 12.386 9.517 14.572 1.00 40.73 C ATOM 1296 CG LEU A 88 12.521 10.340 13.298 1.00 36.04 C ATOM 1297 CD1 LEU A 88 11.755 11.645 13.416 1.00 40.41 C ATOM 1298 CD2 LEU A 88 13.984 10.657 12.989 1.00 36.86 C ATOM 1299 HA LEU A 88 14.080 8.264 14.544 1.00 0.00 H ATOM 1300 HB2 LEU A 88 11.324 9.409 14.792 1.00 0.00 H ATOM 1301 HB3 LEU A 88 12.869 10.066 15.380 1.00 0.00 H ATOM 1302 HG LEU A 88 12.107 9.740 12.487 1.00 0.00 H ATOM 1303 HD21 LEU A 88 14.414 11.225 13.814 1.00 0.00 H ATOM 1304 HD22 LEU A 88 14.537 9.726 12.860 1.00 0.00 H ATOM 1305 HD23 LEU A 88 14.041 11.245 12.073 1.00 0.00 H ATOM 1306 HD11 LEU A 88 10.700 11.431 13.587 1.00 0.00 H ATOM 1307 HD12 LEU A 88 12.150 12.222 14.252 1.00 0.00 H ATOM 1308 HD13 LEU A 88 11.867 12.215 12.494 1.00 0.00 H ATOM 1309 H LEU A 88 11.565 7.221 13.151 1.00 0.00 H ATOM 1310 N LYS A 89 13.425 6.924 16.575 1.00 50.87 N ATOM 1311 CA LYS A 89 13.076 5.959 17.637 1.00 57.61 C ATOM 1312 C LYS A 89 13.714 6.336 18.957 1.00 62.23 C ATOM 1313 O LYS A 89 14.788 6.969 18.997 1.00 61.37 O ATOM 1314 CB LYS A 89 13.518 4.534 17.244 1.00 61.28 C ATOM 1315 CG LYS A 89 12.669 3.930 16.149 1.00 62.71 C ATOM 1316 CD LYS A 89 12.828 2.427 16.001 1.00 73.02 C ATOM 1317 CE LYS A 89 13.688 2.110 14.778 1.00 74.61 C ATOM 1318 NZ LYS A 89 14.107 0.664 14.774 1.00 85.93 N ATOM 1319 HA LYS A 89 11.993 5.983 17.754 1.00 0.00 H ATOM 1320 HB2 LYS A 89 14.552 4.574 16.900 1.00 0.00 H ATOM 1321 HB3 LYS A 89 13.454 3.895 18.125 1.00 0.00 H ATOM 1322 HG2 LYS A 89 11.623 4.144 16.369 1.00 0.00 H ATOM 1323 HG3 LYS A 89 12.944 4.399 15.204 1.00 0.00 H ATOM 1324 HD2 LYS A 89 13.307 2.025 16.894 1.00 0.00 H ATOM 1325 HD3 LYS A 89 11.846 1.970 15.880 1.00 0.00 H ATOM 1326 HE2 LYS A 89 14.578 2.739 14.795 1.00 0.00 H ATOM 1327 HE3 LYS A 89 13.114 2.318 13.875 1.00 0.00 H ATOM 1328 HZ1 LYS A 89 14.659 0.462 15.632 1.00 0.00 H ATOM 1329 HZ2 LYS A 89 13.261 0.059 14.754 1.00 0.00 H ATOM 1330 HZ3 LYS A 89 14.690 0.475 13.933 1.00 0.00 H ATOM 1331 H LYS A 89 14.381 7.331 16.538 1.00 0.00 H ATOM 1332 N GLU A 90 13.087 5.908 20.047 1.00 67.52 N ATOM 1333 CA GLU A 90 13.759 5.932 21.325 1.00 75.61 C ATOM 1334 C GLU A 90 14.670 4.707 21.394 1.00 81.55 C ATOM 1335 O GLU A 90 14.376 3.684 20.770 1.00 83.67 O ATOM 1336 CB GLU A 90 12.738 5.858 22.442 1.00 78.74 C ATOM 1337 CG GLU A 90 12.019 7.162 22.719 1.00 80.46 C ATOM 1338 CD GLU A 90 11.527 7.194 24.172 1.00 90.05 C ATOM 1339 OE1 GLU A 90 10.301 7.096 24.409 1.00 93.86 O ATOM 1340 OE2 GLU A 90 12.382 7.281 25.085 1.00 96.96 O ATOM 1341 HA GLU A 90 14.335 6.851 21.434 1.00 0.00 H ATOM 1342 HB2 GLU A 90 11.994 5.108 22.175 1.00 0.00 H ATOM 1343 HB3 GLU A 90 13.251 5.551 23.353 1.00 0.00 H ATOM 1344 HG2 GLU A 90 12.703 7.994 22.551 1.00 0.00 H ATOM 1345 HG3 GLU A 90 11.166 7.253 22.047 1.00 0.00 H ATOM 1346 H GLU A 90 12.111 5.555 19.980 1.00 0.00 H ATOM 1347 N LYS A 91 15.751 4.768 22.171 1.00 87.27 N ATOM 1348 CA LYS A 91 16.748 3.696 22.110 1.00 93.39 C ATOM 1349 C LYS A 91 16.219 2.366 22.650 1.00 99.51 C ATOM 1350 O LYS A 91 17.014 1.484 22.921 1.00107.53 O ATOM 1351 CB LYS A 91 18.050 4.110 22.807 1.00 98.24 C ATOM 1352 HA LYS A 91 16.968 3.532 21.055 1.00 0.00 H ATOM 1353 HB2 LYS A 91 18.458 4.994 22.317 1.00 0.00 H ATOM 1354 HB3 LYS A 91 17.845 4.336 23.853 1.00 0.00 H ATOM 1355 H LYS A 91 15.886 5.572 22.817 1.00 0.00 H ATOM 1356 N ASN A 92 14.887 2.207 22.720 1.00 98.03 N ATOM 1357 CA ASN A 92 14.215 1.333 23.697 1.00104.10 C ATOM 1358 C ASN A 92 12.673 1.164 23.675 1.00102.50 C ATOM 1359 O ASN A 92 12.092 0.998 24.750 1.00105.37 O ATOM 1360 CB ASN A 92 14.485 1.955 25.068 1.00107.63 C ATOM 1361 CG ASN A 92 14.046 3.433 25.112 1.00101.87 C ATOM 1362 OD1 ASN A 92 14.847 4.343 24.847 1.00 97.22 O ATOM 1363 ND2 ASN A 92 12.755 3.662 25.397 1.00102.92 N ATOM 1364 HA ASN A 92 14.614 0.348 23.455 1.00 0.00 H ATOM 1365 HB2 ASN A 92 13.933 1.398 25.825 1.00 0.00 H ATOM 1366 HB3 ASN A 92 15.552 1.895 25.281 1.00 0.00 H ATOM 1367 HD22 ASN A 92 12.121 2.866 25.613 1.00 0.00 H ATOM 1368 HD21 ASN A 92 12.388 4.635 25.402 1.00 0.00 H ATOM 1369 H ASN A 92 14.295 2.732 22.045 1.00 0.00 H ATOM 1370 N GLY A 93 11.971 1.197 22.544 1.00 97.53 N ATOM 1371 CA GLY A 93 12.487 1.166 21.203 1.00 93.48 C ATOM 1372 C GLY A 93 11.333 1.686 20.367 1.00 87.93 C ATOM 1373 O GLY A 93 11.354 1.581 19.123 1.00 85.77 O ATOM 1374 HA3 GLY A 93 12.753 0.150 20.911 1.00 0.00 H ATOM 1375 HA2 GLY A 93 13.360 1.811 21.106 1.00 0.00 H ATOM 1376 H GLY A 93 10.937 1.251 22.642 1.00 0.00 H ATOM 1377 N ASP A 94 10.332 2.260 21.057 1.00 85.32 N ATOM 1378 CA ASP A 94 9.193 2.907 20.384 1.00 80.12 C ATOM 1379 C ASP A 94 9.513 4.050 19.432 1.00 71.49 C ATOM 1380 O ASP A 94 10.418 4.884 19.624 1.00 67.22 O ATOM 1381 CB ASP A 94 8.116 3.381 21.354 1.00 82.39 C ATOM 1382 CG ASP A 94 8.690 3.867 22.663 1.00 84.55 C ATOM 1383 OD1 ASP A 94 9.558 4.768 22.610 1.00 79.22 O ATOM 1384 OD2 ASP A 94 8.251 3.334 23.724 1.00 87.25 O ATOM 1385 HA ASP A 94 8.827 2.086 19.768 1.00 0.00 H ATOM 1386 HB2 ASP A 94 7.562 4.197 20.890 1.00 0.00 H ATOM 1387 HB3 ASP A 94 7.438 2.552 21.556 1.00 0.00 H ATOM 1388 H ASP A 94 10.363 2.247 22.096 1.00 0.00 H ATOM 1389 N VAL A 95 8.725 4.068 18.383 1.00 69.58 N ATOM 1390 CA VAL A 95 8.937 5.020 17.332 1.00 62.52 C ATOM 1391 C VAL A 95 8.410 6.411 17.715 1.00 58.86 C ATOM 1392 O VAL A 95 7.448 6.522 18.483 1.00 60.62 O ATOM 1393 CB VAL A 95 8.273 4.520 16.031 1.00 65.19 C ATOM 1394 CG1 VAL A 95 9.067 3.356 15.449 1.00 68.76 C ATOM 1395 CG2 VAL A 95 6.845 4.088 16.293 1.00 69.04 C ATOM 1396 HA VAL A 95 10.011 5.116 17.169 1.00 0.00 H ATOM 1397 HB VAL A 95 8.264 5.340 15.313 1.00 0.00 H ATOM 1398 HG11 VAL A 95 10.083 3.685 15.229 1.00 0.00 H ATOM 1399 HG12 VAL A 95 9.096 2.541 16.172 1.00 0.00 H ATOM 1400 HG13 VAL A 95 8.588 3.013 14.532 1.00 0.00 H ATOM 1401 HG21 VAL A 95 6.840 3.281 17.026 1.00 0.00 H ATOM 1402 HG22 VAL A 95 6.276 4.934 16.678 1.00 0.00 H ATOM 1403 HG23 VAL A 95 6.396 3.739 15.363 1.00 0.00 H ATOM 1404 H VAL A 95 7.942 3.387 18.313 1.00 0.00 H ATOM 1405 N ILE A 96 9.037 7.459 17.158 1.00 51.87 N ATOM 1406 CA ILE A 96 8.560 8.851 17.294 1.00 46.33 C ATOM 1407 C ILE A 96 7.997 9.210 15.915 1.00 42.24 C ATOM 1408 O ILE A 96 8.781 9.466 15.008 1.00 41.99 O ATOM 1409 CB ILE A 96 9.773 9.790 17.645 1.00 47.20 C ATOM 1410 CG1 ILE A 96 10.416 9.352 18.974 1.00 51.12 C ATOM 1411 CG2 ILE A 96 9.382 11.263 17.645 1.00 46.89 C ATOM 1412 CD1 ILE A 96 11.910 9.626 19.086 1.00 51.42 C ATOM 1413 HA ILE A 96 7.816 8.965 18.082 1.00 0.00 H ATOM 1414 HB ILE A 96 10.521 9.685 16.860 1.00 0.00 H ATOM 1415 HG12 ILE A 96 9.913 9.881 19.784 1.00 0.00 H ATOM 1416 HG13 ILE A 96 10.259 8.280 19.089 1.00 0.00 H ATOM 1417 HD11 ILE A 96 12.436 9.094 18.293 1.00 0.00 H ATOM 1418 HD12 ILE A 96 12.090 10.697 18.989 1.00 0.00 H ATOM 1419 HD13 ILE A 96 12.269 9.283 20.056 1.00 0.00 H ATOM 1420 HG21 ILE A 96 9.014 11.540 16.657 1.00 0.00 H ATOM 1421 HG22 ILE A 96 8.599 11.430 18.385 1.00 0.00 H ATOM 1422 HG23 ILE A 96 10.254 11.869 17.893 1.00 0.00 H ATOM 1423 H ILE A 96 9.900 7.283 16.604 1.00 0.00 H ATOM 1424 N GLU A 97 6.668 9.198 15.740 1.00 39.70 N ATOM 1425 CA GLU A 97 6.101 9.340 14.410 1.00 37.63 C ATOM 1426 C GLU A 97 5.556 10.733 14.145 1.00 34.04 C ATOM 1427 O GLU A 97 4.787 11.282 14.959 1.00 32.13 O ATOM 1428 CB GLU A 97 4.957 8.360 14.162 1.00 39.99 C ATOM 1429 CG GLU A 97 5.214 6.993 14.703 1.00 51.91 C ATOM 1430 CD GLU A 97 4.672 5.930 13.790 1.00 61.21 C ATOM 1431 OE1 GLU A 97 3.588 5.371 14.128 1.00 61.13 O ATOM 1432 OE2 GLU A 97 5.358 5.675 12.752 1.00 64.04 O ATOM 1433 HA GLU A 97 6.934 9.134 13.738 1.00 0.00 H ATOM 1434 HB2 GLU A 97 4.057 8.754 14.634 1.00 0.00 H ATOM 1435 HB3 GLU A 97 4.797 8.281 13.087 1.00 0.00 H ATOM 1436 HG2 GLU A 97 6.289 6.851 14.813 1.00 0.00 H ATOM 1437 HG3 GLU A 97 4.735 6.901 15.678 1.00 0.00 H ATOM 1438 H GLU A 97 6.039 9.086 16.561 1.00 0.00 H ATOM 1439 N LEU A 98 5.903 11.257 12.975 1.00 31.76 N ATOM 1440 CA LEU A 98 5.292 12.501 12.508 1.00 30.50 C ATOM 1441 C LEU A 98 4.091 12.124 11.698 1.00 29.76 C ATOM 1442 O LEU A 98 4.212 11.860 10.483 1.00 31.32 O ATOM 1443 CB LEU A 98 6.254 13.285 11.621 1.00 30.44 C ATOM 1444 CG LEU A 98 7.297 14.204 12.312 1.00 36.94 C ATOM 1445 CD1 LEU A 98 7.894 13.682 13.461 1.00 35.80 C ATOM 1446 CD2 LEU A 98 8.362 14.727 11.402 1.00 34.19 C ATOM 1447 HA LEU A 98 5.030 13.126 13.362 1.00 0.00 H ATOM 1448 HB2 LEU A 98 6.806 12.561 11.022 1.00 0.00 H ATOM 1449 HB3 LEU A 98 5.652 13.914 10.965 1.00 0.00 H ATOM 1450 HG LEU A 98 6.665 15.036 12.623 1.00 0.00 H ATOM 1451 HD21 LEU A 98 8.912 13.891 10.970 1.00 0.00 H ATOM 1452 HD22 LEU A 98 7.902 15.311 10.605 1.00 0.00 H ATOM 1453 HD23 LEU A 98 9.045 15.359 11.970 1.00 0.00 H ATOM 1454 HD11 LEU A 98 7.126 13.475 14.206 1.00 0.00 H ATOM 1455 HD12 LEU A 98 8.417 12.759 13.210 1.00 0.00 H ATOM 1456 HD13 LEU A 98 8.604 14.406 13.861 1.00 0.00 H ATOM 1457 H LEU A 98 6.615 10.779 12.386 1.00 0.00 H ATOM 1458 N LYS A 99 2.932 12.043 12.333 1.00 27.99 N ATOM 1459 CA LYS A 99 1.733 11.607 11.624 1.00 29.55 C ATOM 1460 C LYS A 99 0.894 12.720 11.116 1.00 28.73 C ATOM 1461 O LYS A 99 0.496 12.665 9.909 1.00 28.55 O ATOM 1462 CB LYS A 99 0.832 10.667 12.465 1.00 29.11 C ATOM 1463 CG LYS A 99 1.515 9.382 12.815 1.00 35.38 C ATOM 1464 CD LYS A 99 0.431 8.472 13.501 1.00 36.92 C ATOM 1465 CE LYS A 99 0.931 7.153 14.081 1.00 49.96 C ATOM 1466 NZ LYS A 99 -0.344 6.457 14.595 1.00 51.08 N ATOM 1467 HA LYS A 99 2.137 11.058 10.773 1.00 0.00 H ATOM 1468 HB2 LYS A 99 0.556 11.179 13.387 1.00 0.00 H ATOM 1469 HB3 LYS A 99 -0.068 10.441 11.893 1.00 0.00 H ATOM 1470 HG2 LYS A 99 1.896 8.900 11.914 1.00 0.00 H ATOM 1471 HG3 LYS A 99 2.340 9.569 13.502 1.00 0.00 H ATOM 1472 HD2 LYS A 99 -0.019 9.044 14.313 1.00 0.00 H ATOM 1473 HD3 LYS A 99 -0.330 8.241 12.756 1.00 0.00 H ATOM 1474 HE2 LYS A 99 1.631 7.330 14.898 1.00 0.00 H ATOM 1475 HE3 LYS A 99 1.417 6.552 13.312 1.00 0.00 H ATOM 1476 HZ1 LYS A 99 -0.797 7.054 15.316 1.00 0.00 H ATOM 1477 HZ2 LYS A 99 -1.001 6.311 13.802 1.00 0.00 H ATOM 1478 HZ3 LYS A 99 -0.092 5.538 15.012 1.00 0.00 H ATOM 1479 H LYS A 99 2.876 12.291 13.341 1.00 0.00 H ATOM 1480 N TYR A 100 0.548 13.691 11.986 1.00 26.03 N ATOM 1481 CA TYR A 100 -0.519 14.608 11.655 1.00 26.96 C ATOM 1482 C TYR A 100 -0.057 16.011 11.902 1.00 26.85 C ATOM 1483 O TYR A 100 0.089 16.436 13.033 1.00 27.55 O ATOM 1484 CB TYR A 100 -1.777 14.332 12.547 1.00 25.78 C ATOM 1485 CG TYR A 100 -2.191 12.868 12.613 1.00 26.87 C ATOM 1486 CD1 TYR A 100 -2.578 12.189 11.476 1.00 25.71 C ATOM 1487 CD2 TYR A 100 -2.206 12.171 13.839 1.00 26.80 C ATOM 1488 CE1 TYR A 100 -2.970 10.878 11.524 1.00 28.52 C ATOM 1489 CE2 TYR A 100 -2.630 10.827 13.927 1.00 25.63 C ATOM 1490 CZ TYR A 100 -2.989 10.171 12.747 1.00 29.52 C ATOM 1491 OH TYR A 100 -3.395 8.864 12.721 1.00 31.31 O ATOM 1492 HA TYR A 100 -0.784 14.471 10.607 1.00 0.00 H ATOM 1493 HB3 TYR A 100 -2.613 14.905 12.146 1.00 0.00 H ATOM 1494 HB2 TYR A 100 -1.559 14.671 13.560 1.00 0.00 H ATOM 1495 HD2 TYR A 100 -1.881 12.684 14.744 1.00 0.00 H ATOM 1496 HE2 TYR A 100 -2.676 10.316 14.889 1.00 0.00 H ATOM 1497 HE1 TYR A 100 -3.271 10.373 10.606 1.00 0.00 H ATOM 1498 HD1 TYR A 100 -2.572 12.708 10.518 1.00 0.00 H ATOM 1499 HH TYR A 100 -3.600 8.602 11.789 1.00 0.00 H ATOM 1500 H TYR A 100 1.048 13.780 12.893 1.00 0.00 H ATOM 1501 N PRO A 101 0.200 16.772 10.835 1.00 27.54 N ATOM 1502 CA PRO A 101 0.644 18.122 11.031 1.00 27.40 C ATOM 1503 C PRO A 101 -0.426 18.895 11.830 1.00 28.08 C ATOM 1504 O PRO A 101 -1.663 18.771 11.599 1.00 29.13 O ATOM 1505 CB PRO A 101 0.725 18.713 9.605 1.00 29.90 C ATOM 1506 CG PRO A 101 0.551 17.582 8.671 1.00 33.41 C ATOM 1507 CD PRO A 101 -0.081 16.413 9.425 1.00 31.24 C ATOM 1508 HA PRO A 101 1.590 18.179 11.570 1.00 0.00 H ATOM 1509 HD3 PRO A 101 -1.153 16.352 9.237 1.00 0.00 H ATOM 1510 HD2 PRO A 101 0.388 15.467 9.155 1.00 0.00 H ATOM 1511 HG3 PRO A 101 1.521 17.281 8.275 1.00 0.00 H ATOM 1512 HG2 PRO A 101 -0.099 17.882 7.849 1.00 0.00 H ATOM 1513 HB2 PRO A 101 -0.065 19.449 9.457 1.00 0.00 H ATOM 1514 HB3 PRO A 101 1.694 19.186 9.448 1.00 0.00 H ATOM 1515 N LEU A 102 0.021 19.694 12.755 1.00 27.92 N ATOM 1516 CA LEU A 102 -0.892 20.551 13.480 1.00 30.31 C ATOM 1517 C LEU A 102 -0.858 21.960 12.838 1.00 34.39 C ATOM 1518 O LEU A 102 0.117 22.687 12.993 1.00 34.32 O ATOM 1519 CB LEU A 102 -0.514 20.602 14.948 1.00 30.08 C ATOM 1520 CG LEU A 102 -1.561 21.324 15.812 1.00 34.20 C ATOM 1521 CD1 LEU A 102 -2.717 20.393 16.097 1.00 40.35 C ATOM 1522 CD2 LEU A 102 -0.962 21.937 17.025 1.00 43.18 C ATOM 1523 HA LEU A 102 -1.906 20.156 13.421 1.00 0.00 H ATOM 1524 HB2 LEU A 102 -0.404 19.581 15.315 1.00 0.00 H ATOM 1525 HB3 LEU A 102 0.437 21.125 15.044 1.00 0.00 H ATOM 1526 HG LEU A 102 -1.963 22.170 15.254 1.00 0.00 H ATOM 1527 HD21 LEU A 102 -0.499 21.159 17.633 1.00 0.00 H ATOM 1528 HD22 LEU A 102 -0.207 22.665 16.728 1.00 0.00 H ATOM 1529 HD23 LEU A 102 -1.742 22.435 17.602 1.00 0.00 H ATOM 1530 HD11 LEU A 102 -3.174 20.085 15.157 1.00 0.00 H ATOM 1531 HD12 LEU A 102 -2.352 19.515 16.630 1.00 0.00 H ATOM 1532 HD13 LEU A 102 -3.456 20.910 16.710 1.00 0.00 H ATOM 1533 H LEU A 102 1.037 19.717 12.974 1.00 0.00 H ATOM 1534 N ASN A 103 -1.904 22.282 12.081 1.00 39.13 N ATOM 1535 CA ASN A 103 -1.971 23.528 11.295 1.00 45.50 C ATOM 1536 C ASN A 103 -2.763 24.606 12.040 1.00 50.33 C ATOM 1537 O ASN A 103 -2.326 25.099 13.079 1.00 52.81 O ATOM 1538 CB ASN A 103 -2.675 23.318 9.930 1.00 48.02 C ATOM 1539 CG ASN A 103 -2.174 22.072 9.175 1.00 48.98 C ATOM 1540 OD1 ASN A 103 -2.994 21.204 8.792 1.00 53.39 O ATOM 1541 ND2 ASN A 103 -0.838 21.962 8.979 1.00 47.03 N ATOM 1542 HA ASN A 103 -0.937 23.837 11.140 1.00 0.00 H ATOM 1543 HB2 ASN A 103 -3.746 23.211 10.105 1.00 0.00 H ATOM 1544 HB3 ASN A 103 -2.496 24.195 9.309 1.00 0.00 H ATOM 1545 HD22 ASN A 103 -0.200 22.710 9.316 1.00 0.00 H ATOM 1546 HD21 ASN A 103 -0.451 21.129 8.491 1.00 0.00 H ATOM 1547 H ASN A 103 -2.710 21.626 12.042 1.00 0.00 H TER 1548 ASN A 103 HETATM 1549 O HOH 1 -6.066 17.343 22.746 1.00 7.43 O HETATM 1550 O HOH 2 6.487 2.792 12.060 1.00 32.74 O HETATM 1551 O HOH 3 18.047 16.296 16.713 1.00 23.15 O HETATM 1552 O HOH 4 25.124 16.518 10.010 1.00 21.99 O HETATM 1553 O HOH 5 4.558 5.508 6.866 1.00 46.98 O HETATM 1554 O HOH 6 17.973 13.576 9.186 1.00 14.52 O HETATM 1555 O HOH 7 -2.670 17.461 14.416 1.00 15.73 O HETATM 1556 O HOH 8 7.753 9.801 11.233 1.00 26.10 O HETATM 1557 O HOH 9 10.344 11.744 0.980 1.00 18.59 O HETATM 1558 O HOH 10 9.617 8.101 12.719 1.00 36.58 O HETATM 1559 O HOH 11 19.688 23.734 15.619 1.00 38.39 O HETATM 1560 O HOH 12 17.371 9.597 8.348 1.00 23.03 O HETATM 1561 O HOH 13 13.110 20.586 -1.005 1.00 26.74 O HETATM 1562 O HOH 14 23.473 28.503 21.401 1.00 46.18 O HETATM 1563 O HOH 15 1.155 14.899 29.260 1.00 39.91 O HETATM 1564 O HOH 16 7.682 5.972 1.000 1.00 19.49 O HETATM 1565 O HOH 17 1.873 10.927 8.112 1.00 34.97 O HETATM 1566 O HOH 18 14.651 31.296 16.809 1.00 33.51 O HETATM 1567 O HOH 19 4.950 21.162 3.362 1.00 26.41 O HETATM 1568 O HOH 20 21.987 11.962 3.133 1.00 30.70 O HETATM 1569 O HOH 21 13.968 13.842 0.361 1.00 16.54 O HETATM 1570 O HOH 22 -4.405 20.861 12.181 1.00 27.81 O HETATM 1571 O HOH 23 0.918 23.312 2.271 1.00 47.49 O HETATM 1572 O HOH 24 7.624 3.745 5.747 1.00 39.39 O HETATM 1573 O HOH 25 -7.660 25.353 21.732 1.00 32.39 O HETATM 1574 O HOH 26 4.503 16.943 27.574 1.00 34.18 O HETATM 1575 O HOH 27 6.625 19.043 3.592 1.00 25.11 O HETATM 1576 O HOH 28 -3.505 17.117 10.593 1.00 25.92 O HETATM 1577 O HOH 29 22.097 24.463 13.128 1.00 32.84 O HETATM 1578 O HOH 30 28.200 26.552 5.690 1.00 45.24 O HETATM 1579 O HOH 31 -2.979 10.565 24.564 1.00 17.69 O HETATM 1580 O HOH 32 5.709 35.534 11.912 1.00 28.96 O HETATM 1581 O HOH 33 24.661 21.793 -0.377 1.00 24.97 O HETATM 1582 O HOH 34 0.035 28.918 20.974 1.00 46.34 O HETATM 1583 O HOH 35 -4.255 24.760 15.628 1.00 40.14 O HETATM 1584 O HOH 36 23.458 13.613 8.452 1.00 19.03 O HETATM 1585 O HOH 37 24.858 25.940 19.455 1.00 43.15 O HETATM 1586 O HOH 38 -5.054 22.508 6.445 1.00 56.10 O HETATM 1587 O HOH 39 13.909 0.529 9.989 1.00 77.15 O HETATM 1588 O HOH 40 16.838 24.736 11.856 1.00 31.10 O HETATM 1589 O HOH 41 2.242 20.096 3.640 1.00 49.00 O HETATM 1590 O HOH 42 9.973 3.627 6.241 1.00 33.19 O HETATM 1591 O HOH 43 -2.381 8.819 26.929 1.00 34.07 O HETATM 1592 O HOH 44 4.987 17.381 4.181 1.00 42.09 O HETATM 1593 O HOH 45 11.388 14.387 1.069 1.00 16.41 O HETATM 1594 O HOH 46 25.308 12.223 9.789 1.00 33.24 O HETATM 1595 O HOH 47 3.971 10.568 17.424 1.00 14.76 O HETATM 1596 O HOH 48 20.482 25.202 4.269 1.00 28.92 O HETATM 1597 O HOH 49 -4.446 10.696 21.063 1.00 20.41 O HETATM 1598 O HOH 50 20.085 23.647 2.252 1.00 22.68 O HETATM 1599 O HOH 51 1.599 7.881 20.688 1.00 21.70 O HETATM 1600 O HOH 52 -2.248 14.527 27.594 1.00 27.61 O HETATM 1601 O HOH 53 -3.828 15.633 26.190 1.00 20.89 O HETATM 1602 O HOH 54 10.642 8.470 27.368 1.00 49.39 O HETATM 1603 O HOH 55 -0.924 7.780 16.737 1.00 31.95 O HETATM 1604 O HOH 56 8.359 17.784 27.087 1.00 29.21 O HETATM 1605 O HOH 57 5.459 14.627 -3.260 1.00 38.65 O HETATM 1606 O HOH 58 10.128 8.468 10.487 1.00 23.53 O HETATM 1607 O HOH 59 6.933 7.131 12.254 1.00 44.52 O HETATM 1608 O HOH 60 2.228 8.390 17.723 1.00 31.65 O HETATM 1609 O HOH 61 7.982 8.034 0.092 1.00 30.17 O HETATM 1610 O HOH 62 16.822 24.111 17.048 1.00 28.50 O HETATM 1611 O HOH 63 24.260 9.304 10.478 1.00 33.54 O HETATM 1612 O HOH 64 2.806 30.665 15.002 1.00 23.17 O HETATM 1613 O HOH 65 0.862 29.226 16.116 1.00 35.33 O HETATM 1614 O HOH 66 5.295 8.311 17.934 1.00 29.92 O HETATM 1615 O HOH 67 10.788 22.227 -0.398 1.00 32.41 O HETATM 1616 O HOH 68 -7.465 19.948 13.198 1.00 39.41 O HETATM 1617 O HOH 69 21.766 27.574 11.709 1.00 40.89 O HETATM 1618 O HOH 70 2.521 12.877 3.514 1.00 45.90 O HETATM 1619 O HOH 71 22.013 18.290 19.708 1.00 68.09 O HETATM 1620 O HOH 72 0.268 20.809 6.692 1.00 30.10 O HETATM 1621 O HOH 73 4.414 28.211 6.722 1.00 38.10 O HETATM 1622 O HOH 74 17.224 7.070 9.608 1.00 30.30 O HETATM 1623 O HOH 75 13.046 24.727 26.564 1.00 39.44 O HETATM 1624 O HOH 76 11.606 26.519 23.683 1.00 24.23 O HETATM 1625 O HOH 77 12.280 24.344 28.935 1.00 41.36 O HETATM 1626 O HOH 78 15.081 21.928 28.066 1.00 48.30 O HETATM 1627 O HOH 79 26.435 7.127 19.698 1.00 83.59 O HETATM 1628 O HOH 80 21.143 6.949 16.183 1.00 61.90 O HETATM 1629 O HOH 81 19.937 2.610 11.029 1.00107.72 O HETATM 1630 N VAL A 82 10.546 21.799 29.111 1.00 0.24 N HETATM 1631 CA VAL A 82 10.399 20.996 27.853 1.00 0.07 C HETATM 1632 C VAL A 82 11.478 19.900 27.712 1.00 0.23 C HETATM 1633 O VAL A 82 12.674 20.131 27.947 1.00 -0.39 O HETATM 1634 N VAL A 82 11.048 18.697 27.350 1.00 -0.26 N HETATM 1635 CA VAL A 82 11.969 17.578 27.189 1.00 0.13 C HETATM 1636 C VAL A 82 12.450 17.407 25.719 1.00 0.20 C HETATM 1637 O VAL A 82 11.653 17.037 24.816 1.00 -0.39 O HETATM 1638 N VAL A 82 13.754 17.654 25.521 1.00 -0.26 N HETATM 1639 CA VAL A 82 14.448 17.425 24.247 1.00 0.15 C HETATM 1640 C VAL A 82 14.902 16.004 24.162 1.00 0.21 C HETATM 1641 O VAL A 82 15.296 15.387 25.163 1.00 -0.39 O HETATM 1642 N VAL A 82 14.809 15.456 22.977 1.00 -0.26 N HETATM 1643 CA VAL A 82 15.459 14.225 22.688 1.00 0.14 C HETATM 1644 C VAL A 82 16.574 14.589 21.745 1.00 0.21 C HETATM 1645 O VAL A 82 16.417 15.523 20.938 1.00 -0.39 O HETATM 1646 N VAL A 82 17.684 13.864 21.868 1.00 -0.26 N HETATM 1647 CA VAL A 82 18.940 14.140 21.149 1.00 0.13 C HETATM 1648 C VAL A 82 19.354 12.788 20.603 1.00 0.21 C HETATM 1649 O VAL A 82 19.057 11.768 21.242 1.00 -0.39 O HETATM 1650 N VAL A 82 19.972 12.745 19.393 1.00 -0.25 N HETATM 1651 CA VAL A 82 20.374 11.476 18.735 1.00 0.13 C HETATM 1652 C VAL A 82 21.499 10.770 19.517 1.00 0.20 C HETATM 1653 O VAL A 82 22.108 11.397 20.398 1.00 -0.39 O HETATM 1654 N VAL A 82 21.755 9.499 19.197 1.00 -0.27 N HETATM 1655 CA VAL A 82 22.640 8.639 20.009 1.00 0.09 C HETATM 1656 C VAL A 82 24.148 8.818 19.729 1.00 0.06 C HETATM 1657 O VAL A 82 24.634 8.680 18.574 1.00 -0.57 O HETATM 1658 O VAL A 82 24.916 9.111 20.684 1.00 -0.57 O HETATM 1659 CB VAL A 82 22.217 7.169 19.858 1.00 -0.02 C HETATM 1660 CG VAL A 82 22.415 6.236 21.059 1.00 -0.04 C HETATM 1661 CD1 VAL A 82 22.167 6.964 22.423 1.00 -0.06 C HETATM 1662 H VAL A 82 22.865 7.796 22.522 1.00 0.02 H HETATM 1663 H VAL A 82 21.145 7.341 22.452 1.00 0.02 H HETATM 1664 H VAL A 82 22.320 6.261 23.242 1.00 0.02 H HETATM 1665 CD2 VAL A 82 21.567 4.958 20.911 1.00 -0.06 C HETATM 1666 H VAL A 82 20.513 5.228 20.848 1.00 0.02 H HETATM 1667 H VAL A 82 21.863 4.430 20.005 1.00 0.02 H HETATM 1668 H VAL A 82 21.727 4.315 21.776 1.00 0.02 H HETATM 1669 H VAL A 82 23.462 5.931 21.069 1.00 0.03 H HETATM 1670 H VAL A 82 22.852 6.765 19.070 1.00 0.03 H HETATM 1671 H VAL A 82 21.141 7.194 19.685 1.00 0.03 H HETATM 1672 H VAL A 82 22.512 8.961 21.043 1.00 0.07 H HETATM 1673 H VAL A 82 21.323 9.107 18.360 1.00 0.19 H HETATM 1674 CB VAL A 82 20.887 11.918 17.358 1.00 -0.01 C HETATM 1675 CG VAL A 82 20.442 13.308 17.199 1.00 -0.03 C HETATM 1676 CD VAL A 82 20.243 13.923 18.542 1.00 0.04 C HETATM 1677 H VAL A 82 21.101 14.505 18.878 1.00 0.05 H HETATM 1678 H VAL A 82 19.439 14.659 18.561 1.00 0.05 H HETATM 1679 H VAL A 82 19.502 13.328 16.648 1.00 0.03 H HETATM 1680 H VAL A 82 21.197 13.871 16.650 1.00 0.03 H HETATM 1681 H VAL A 82 20.497 11.281 16.564 1.00 0.03 H HETATM 1682 H VAL A 82 21.972 11.837 17.292 1.00 0.03 H HETATM 1683 H VAL A 82 19.550 10.765 18.680 1.00 0.08 H HETATM 1684 CB VAL A 82 20.032 14.762 22.092 1.00 -0.01 C HETATM 1685 CG1 VAL A 82 19.663 16.204 22.512 1.00 -0.06 C HETATM 1686 H VAL A 82 19.577 16.829 21.623 1.00 0.02 H HETATM 1687 H VAL A 82 18.712 16.194 23.044 1.00 0.02 H HETATM 1688 H VAL A 82 20.441 16.602 23.164 1.00 0.02 H HETATM 1689 CG2 VAL A 82 20.240 13.896 23.361 1.00 -0.06 C HETATM 1690 H VAL A 82 19.302 13.830 23.912 1.00 0.02 H HETATM 1691 H VAL A 82 20.562 12.897 23.069 1.00 0.02 H HETATM 1692 H VAL A 82 21.002 14.355 23.991 1.00 0.02 H HETATM 1693 H VAL A 82 20.961 14.788 21.523 1.00 0.03 H HETATM 1694 H VAL A 82 18.815 14.881 20.360 1.00 0.08 H HETATM 1695 H VAL A 82 17.663 13.065 22.502 1.00 0.19 H HETATM 1696 CB VAL A 82 14.505 13.241 22.055 1.00 0.02 C HETATM 1697 CG VAL A 82 13.697 12.455 23.070 1.00 -0.04 C HETATM 1698 CD1 VAL A 82 13.480 11.085 22.897 1.00 -0.06 C HETATM 1699 CE1 VAL A 82 12.720 10.348 23.838 1.00 -0.07 C HETATM 1700 CZ VAL A 82 12.203 10.994 24.971 1.00 -0.07 C HETATM 1701 CE2 VAL A 82 12.422 12.369 25.158 1.00 -0.07 C HETATM 1702 CD2 VAL A 82 13.173 13.088 24.206 1.00 -0.06 C HETATM 1703 H VAL A 82 13.349 14.153 24.355 1.00 0.06 H HETATM 1704 H VAL A 82 12.014 12.876 26.032 1.00 0.06 H HETATM 1705 H VAL A 82 11.631 10.429 25.707 1.00 0.06 H HETATM 1706 H VAL A 82 12.538 9.285 23.683 1.00 0.06 H HETATM 1707 H VAL A 82 13.900 10.578 22.028 1.00 0.06 H HETATM 1708 H VAL A 82 15.098 12.528 21.481 1.00 0.05 H HETATM 1709 H VAL A 82 13.804 13.808 21.442 1.00 0.05 H HETATM 1710 H VAL A 82 15.831 13.738 23.589 1.00 0.08 H HETATM 1711 H VAL A 82 14.262 15.919 22.251 1.00 0.19 H HETATM 1712 CB VAL A 82 15.639 18.362 23.956 1.00 0.04 C HETATM 1713 CG VAL A 82 15.145 19.681 23.484 1.00 -0.00 C HETATM 1714 CD1 VAL A 82 14.666 20.597 24.383 1.00 -0.02 C HETATM 1715 CE1 VAL A 82 14.162 21.807 23.966 1.00 0.01 C HETATM 1716 CZ VAL A 82 14.096 22.111 22.610 1.00 0.17 C HETATM 1717 CE2 VAL A 82 14.529 21.189 21.701 1.00 0.01 C HETATM 1718 CD2 VAL A 82 15.036 19.974 22.122 1.00 -0.02 C HETATM 1719 H VAL A 82 15.354 19.237 21.384 1.00 0.07 H HETATM 1720 H VAL A 82 14.475 21.413 20.636 1.00 0.07 H HETATM 1721 OH VAL A 82 13.577 23.221 22.313 1.00 -0.20 O HETATM 1722 P VAL A 82 14.328 24.573 21.772 1.00 0.13 P HETATM 1723 O1P VAL A 82 15.002 24.117 20.530 1.00 -0.67 O HETATM 1724 O2P VAL A 82 13.450 25.789 21.618 1.00 -0.67 O HETATM 1725 O3P VAL A 82 15.432 24.905 22.833 1.00 -0.67 O HETATM 1726 H VAL A 82 13.812 22.531 24.702 1.00 0.07 H HETATM 1727 H VAL A 82 14.685 20.363 25.447 1.00 0.07 H HETATM 1728 H VAL A 82 16.265 17.916 23.183 1.00 0.06 H HETATM 1729 H VAL A 82 16.217 18.502 24.870 1.00 0.06 H HETATM 1730 H VAL A 82 13.706 17.656 23.482 1.00 0.08 H HETATM 1731 H VAL A 82 14.296 18.023 26.302 1.00 0.19 H HETATM 1732 CB VAL A 82 11.359 16.259 27.679 1.00 -0.00 C HETATM 1733 CG1 VAL A 82 10.868 16.394 29.153 1.00 -0.05 C HETATM 1734 CD1 VAL A 82 9.502 15.662 29.479 1.00 -0.06 C HETATM 1735 H VAL A 82 8.712 16.072 28.850 1.00 0.02 H HETATM 1736 H VAL A 82 9.607 14.595 29.283 1.00 0.02 H HETATM 1737 H VAL A 82 9.250 15.817 30.528 1.00 0.02 H HETATM 1738 H VAL A 82 10.704 17.457 29.332 1.00 0.03 H HETATM 1739 H VAL A 82 11.629 15.930 29.780 1.00 0.03 H HETATM 1740 CG2 VAL A 82 12.355 15.103 27.458 1.00 -0.06 C HETATM 1741 H VAL A 82 12.584 15.020 26.395 1.00 0.02 H HETATM 1742 H VAL A 82 13.271 15.303 28.014 1.00 0.02 H HETATM 1743 H VAL A 82 11.912 14.171 27.809 1.00 0.02 H HETATM 1744 H VAL A 82 10.472 16.020 27.092 1.00 0.03 H HETATM 1745 H VAL A 82 12.834 17.821 27.807 1.00 0.08 H HETATM 1746 H VAL A 82 10.053 18.553 27.181 1.00 0.19 H HETATM 1747 CB VAL A 82 10.298 21.905 26.576 1.00 0.01 C HETATM 1748 CG1 VAL A 82 9.857 23.329 26.922 1.00 -0.06 C HETATM 1749 H VAL A 82 10.626 23.809 27.527 1.00 0.02 H HETATM 1750 H VAL A 82 9.710 23.896 26.003 1.00 0.02 H HETATM 1751 H VAL A 82 8.922 23.293 27.481 1.00 0.02 H HETATM 1752 CG2 VAL A 82 11.585 21.921 25.804 1.00 -0.06 C HETATM 1753 H VAL A 82 11.446 22.482 24.880 1.00 0.02 H HETATM 1754 H VAL A 82 12.361 22.395 26.404 1.00 0.02 H HETATM 1755 H VAL A 82 11.879 20.898 25.569 1.00 0.02 H HETATM 1756 H VAL A 82 9.530 21.465 25.940 1.00 0.04 H HETATM 1757 H VAL A 82 9.448 20.471 27.938 1.00 0.11 H HETATM 1758 H VAL A 82 10.607 21.168 29.910 1.00 0.20 H HETATM 1759 H VAL A 82 11.394 22.363 29.056 1.00 0.20 H HETATM 1760 H VAL A 82 9.736 22.410 29.220 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1630 1631 1758 1759 1760 CONECT 1631 1630 1632 1747 1757 CONECT 1632 1631 1633 1634 CONECT 1633 1632 CONECT 1634 1632 1635 1746 CONECT 1635 1634 1636 1732 1745 CONECT 1636 1635 1637 1638 CONECT 1637 1636 CONECT 1638 1636 1639 1731 CONECT 1639 1638 1640 1712 1730 CONECT 1640 1639 1641 1642 CONECT 1641 1640 CONECT 1642 1640 1643 1711 CONECT 1643 1642 1644 1696 1710 CONECT 1644 1643 1645 1646 CONECT 1645 1644 CONECT 1646 1644 1647 1695 CONECT 1647 1646 1648 1684 1694 CONECT 1648 1647 1649 1650 CONECT 1649 1648 CONECT 1650 1648 1651 1676 CONECT 1651 1650 1652 1674 1683 CONECT 1652 1651 1653 1654 CONECT 1653 1652 CONECT 1654 1652 1655 1673 CONECT 1655 1654 1656 1659 1672 CONECT 1656 1655 1657 1658 CONECT 1657 1656 CONECT 1658 1656 CONECT 1659 1655 1660 1670 1671 CONECT 1660 1659 1661 1665 1669 CONECT 1661 1660 1662 1663 1664 CONECT 1662 1661 CONECT 1663 1661 CONECT 1664 1661 CONECT 1665 1660 1666 1667 1668 CONECT 1666 1665 CONECT 1667 1665 CONECT 1668 1665 CONECT 1669 1660 CONECT 1670 1659 CONECT 1671 1659 CONECT 1672 1655 CONECT 1673 1654 CONECT 1674 1651 1675 1681 1682 CONECT 1675 1674 1676 1679 1680 CONECT 1676 1650 1675 1677 1678 CONECT 1677 1676 CONECT 1678 1676 CONECT 1679 1675 CONECT 1680 1675 CONECT 1681 1674 CONECT 1682 1674 CONECT 1683 1651 CONECT 1684 1647 1685 1689 1693 CONECT 1685 1684 1686 1687 1688 CONECT 1686 1685 CONECT 1687 1685 CONECT 1688 1685 CONECT 1689 1684 1690 1691 1692 CONECT 1690 1689 CONECT 1691 1689 CONECT 1692 1689 CONECT 1693 1684 CONECT 1694 1647 CONECT 1695 1646 CONECT 1696 1643 1697 1708 1709 CONECT 1697 1696 1698 1702 CONECT 1698 1697 1699 1707 CONECT 1699 1698 1700 1706 CONECT 1700 1699 1701 1705 CONECT 1701 1700 1702 1704 CONECT 1702 1697 1701 1703 CONECT 1703 1702 CONECT 1704 1701 CONECT 1705 1700 CONECT 1706 1699 CONECT 1707 1698 CONECT 1708 1696 CONECT 1709 1696 CONECT 1710 1643 CONECT 1711 1642 CONECT 1712 1639 1713 1728 1729 CONECT 1713 1712 1714 1718 CONECT 1714 1713 1715 1727 CONECT 1715 1714 1716 1726 CONECT 1716 1715 1717 1721 CONECT 1717 1716 1718 1720 CONECT 1718 1713 1717 1719 CONECT 1719 1718 CONECT 1720 1717 CONECT 1721 1716 1722 CONECT 1722 1721 1723 1724 1725 CONECT 1723 1722 CONECT 1724 1722 CONECT 1725 1722 CONECT 1726 1715 CONECT 1727 1714 CONECT 1728 1712 CONECT 1729 1712 CONECT 1730 1639 CONECT 1731 1638 CONECT 1732 1635 1733 1740 1744 CONECT 1733 1732 1734 1738 1739 CONECT 1734 1733 1735 1736 1737 CONECT 1735 1734 CONECT 1736 1734 CONECT 1737 1734 CONECT 1738 1733 CONECT 1739 1733 CONECT 1740 1732 1741 1742 1743 CONECT 1741 1740 CONECT 1742 1740 CONECT 1743 1740 CONECT 1744 1732 CONECT 1745 1635 CONECT 1746 1634 CONECT 1747 1631 1748 1752 1756 CONECT 1748 1747 1749 1750 1751 CONECT 1749 1748 CONECT 1750 1748 CONECT 1751 1748 CONECT 1752 1747 1753 1754 1755 CONECT 1753 1752 CONECT 1754 1752 CONECT 1755 1752 CONECT 1756 1747 CONECT 1757 1631 CONECT 1758 1630 CONECT 1759 1630 CONECT 1760 1630 MASTER 0 0 0 0 0 0 0 0 1759 1 135 8 END
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Structure:
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Related entries of code: 3tkz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3o5x
RCSB PDB
PDBbind
276aa, >3O5X_1|Chain... at 97%
3tl0
RCSB PDB
PDBbind
109aa, >3TL0_1|Chain... at 96%
5ehp
RCSB PDB
PDBbind
526aa, >5EHP_1|Chains... at 99%
5ehr
RCSB PDB
PDBbind
526aa, >5EHR_1|Chains... at 99%
5xzr
RCSB PDB
PDBbind
557aa, >5XZR_1|Chain... *
6bmr
RCSB PDB
PDBbind
526aa, >6BMR_1|Chains... at 99%
6bmv
RCSB PDB
PDBbind
526aa, >6BMV_1|Chains... at 99%
6bmx
RCSB PDB
PDBbind
526aa, >6BMX_1|Chains... at 99%
6cmr
RCSB PDB
PDBbind
532aa, >6CMR_1|Chain... at 99%
6cms
RCSB PDB
PDBbind
532aa, >6CMS_1|Chain... at 99%
6mdc
RCSB PDB
PDBbind
526aa, >6MDC_1|Chains... at 99%
6mdb
RCSB PDB
PDBbind
526aa, >6MDB_1|Chains... at 99%
6md7
RCSB PDB
PDBbind
526aa, >6MD7_1|Chains... at 99%
6mdd
RCSB PDB
PDBbind
526aa, >6MDD_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
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Entry Information
PDB ID
3tkz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Src homology 2 (SHP-2) N-terminal SH2 domain
Ligand Name
10-mer
EC.Number
E.C.3.1.3.48
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=1.2uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) Biochemistry Vol. 50: pp. 7637-7646
Ligand Properties
Formula
C
4
5
H
7
0
N
7
O
1
2
P
Molecular Weight
932.051
Exact Mass
931.482
No. of atoms
135
No. of bonds
137
Polar Surface Area
314.26
LOGP Value
2.60 (
Computed with XLOGP3
)
2.91 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 28
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 3
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)O)CC(C)C)C(C)C)Cc1ccccc1)Cc1ccc(cc1)OP(O)(O)O)NC(=O)[C@H](C(C)C)[NH3+])C
InChI String
InChI=1S/C45H70N7O12P/c1-9-28(8)38(51-42(56)36(46)26(4)5)43(57)48-32(24-30-17-19-31(20-18-30)64-65(61,62)63)39(53)47-33(23-29-14-11-10-12-15-29)40(54)50-37(27(6)7)44(58)52-21-13-16-35(52)41(55)49-34(45(59)60)22-25(2)3/h10-12,14-15,17-20,25-28,32-38,61-63,65H,9,13,16,21-24,46H2,1-8H3,(H,47,53)(H,48,57)(H,49,55)(H,50,54)(H,51,56)(H,59,60)/p+1/t28-,32-,33-,34-,35-,36-,37-,38-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q06124
Entrez Gene ID
NCBI Entrez Gene ID:
5781
ASD
Information of known allosteric effects of PDB entries
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