Browse entries in the PDBbind-CN Database
HEADER 1SKJ_COMPLEX COMPND 1SKJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 102 GLU GLU TRP TYR PHE GLY LYS ILE THR ARG ARG GLU SER SEQRES 2 A 102 GLU ARG LEU LEU LEU ASN PRO GLU ASN PRO ARG GLY THR SEQRES 3 A 102 PHE LEU VAL ARG GLU SER GLU THR THR LYS GLY ALA TYR SEQRES 4 A 102 CYS LEU SER VAL SER ASP PHE ASP ASN ALA LYS GLY LEU SEQRES 5 A 102 ASN VAL LYS HIS TYR LYS ILE ARG LYS LEU ASP SER GLY SEQRES 6 A 102 GLY PHE TYR ILE THR SER ARG THR GLN PHE SER SER LEU SEQRES 7 A 102 GLN GLN LEU VAL ALA TYR TYR SER LYS HIS ALA ASP GLY SEQRES 8 A 102 LEU CYS HIS ARG LEU THR ASN VAL CYS PRO THR HET UR A 2 73 ATOM 1 N GLU A 3 -16.793 51.106 6.858 1.00 30.63 N ATOM 2 CA GLU A 3 -17.001 51.672 8.222 1.00 29.39 C ATOM 3 C GLU A 3 -16.908 53.218 8.274 1.00 28.62 C ATOM 4 O GLU A 3 -17.051 53.834 7.222 1.00 27.90 O ATOM 5 HA GLU A 3 -17.989 51.374 8.572 1.00 0.00 H ATOM 6 HN3 GLU A 3 -15.848 51.372 6.514 1.00 0.00 H ATOM 7 HN2 GLU A 3 -17.517 51.483 6.214 1.00 0.00 H ATOM 8 HN1 GLU A 3 -16.869 50.070 6.899 1.00 0.00 H ATOM 9 N GLU A 4 -16.610 53.772 9.486 1.00 24.97 N ATOM 10 CA GLU A 4 -16.425 55.219 9.793 1.00 20.68 C ATOM 11 C GLU A 4 -15.797 56.211 8.786 1.00 17.16 C ATOM 12 O GLU A 4 -16.096 57.395 8.732 1.00 17.42 O ATOM 13 CB GLU A 4 -15.616 55.332 11.091 1.00 20.83 C ATOM 14 HA GLU A 4 -17.464 55.547 9.807 1.00 0.00 H ATOM 15 HB2 GLU A 4 -16.159 54.843 11.900 1.00 0.00 H ATOM 16 HB3 GLU A 4 -14.648 54.849 10.957 1.00 0.00 H ATOM 17 H GLU A 4 -16.500 53.112 10.282 1.00 0.00 H ATOM 18 N TRP A 5 -14.891 55.639 7.977 1.00 13.21 N ATOM 19 CA TRP A 5 -14.233 56.411 6.912 1.00 10.50 C ATOM 20 C TRP A 5 -14.955 56.569 5.569 1.00 10.08 C ATOM 21 O TRP A 5 -14.481 57.245 4.668 1.00 11.08 O ATOM 22 CB TRP A 5 -12.812 55.880 6.676 1.00 7.77 C ATOM 23 CG TRP A 5 -12.755 54.364 6.610 1.00 7.10 C ATOM 24 CD1 TRP A 5 -12.264 53.542 7.631 1.00 4.48 C ATOM 25 CD2 TRP A 5 -13.088 53.458 5.523 1.00 5.33 C ATOM 26 NE1 TRP A 5 -12.255 52.235 7.258 1.00 4.80 N ATOM 27 CE2 TRP A 5 -12.755 52.135 5.961 1.00 5.74 C ATOM 28 CE3 TRP A 5 -13.635 53.634 4.233 1.00 6.31 C ATOM 29 CZ2 TRP A 5 -12.950 51.032 5.098 1.00 6.54 C ATOM 30 CZ3 TRP A 5 -13.838 52.523 3.381 1.00 5.02 C ATOM 31 CH2 TRP A 5 -13.491 51.230 3.812 1.00 5.59 C ATOM 32 HA TRP A 5 -14.243 57.424 7.315 1.00 0.00 H ATOM 33 HB2 TRP A 5 -12.440 56.284 5.734 1.00 0.00 H ATOM 34 HB3 TRP A 5 -12.173 56.218 7.492 1.00 0.00 H ATOM 35 HE1 TRP A 5 -11.929 51.440 7.844 1.00 0.00 H ATOM 36 HD1 TRP A 5 -11.931 53.905 8.603 1.00 0.00 H ATOM 37 HZ2 TRP A 5 -12.682 50.028 5.428 1.00 0.00 H ATOM 38 HH2 TRP A 5 -13.641 50.378 3.149 1.00 0.00 H ATOM 39 HZ3 TRP A 5 -14.264 52.669 2.389 1.00 0.00 H ATOM 40 HE3 TRP A 5 -13.903 54.634 3.891 1.00 0.00 H ATOM 41 H TRP A 5 -14.651 54.635 8.105 1.00 0.00 H ATOM 42 N TYR A 6 -16.111 55.882 5.461 1.00 9.78 N ATOM 43 CA TYR A 6 -16.905 55.973 4.234 1.00 10.82 C ATOM 44 C TYR A 6 -17.957 57.048 4.292 1.00 12.98 C ATOM 45 O TYR A 6 -19.060 56.837 4.779 1.00 13.23 O ATOM 46 CB TYR A 6 -17.579 54.634 3.857 1.00 11.33 C ATOM 47 CG TYR A 6 -18.108 54.670 2.435 1.00 10.01 C ATOM 48 CD1 TYR A 6 -17.189 54.587 1.372 1.00 9.19 C ATOM 49 CD2 TYR A 6 -19.494 54.822 2.195 1.00 8.68 C ATOM 50 CE1 TYR A 6 -17.647 54.748 0.054 1.00 10.34 C ATOM 51 CE2 TYR A 6 -19.958 54.964 0.878 1.00 6.85 C ATOM 52 CZ TYR A 6 -19.016 54.958 -0.162 1.00 8.71 C ATOM 53 OH TYR A 6 -19.417 55.182 -1.440 1.00 9.48 O ATOM 54 HA TYR A 6 -16.181 56.234 3.462 1.00 0.00 H ATOM 55 HB3 TYR A 6 -18.407 54.447 4.541 1.00 0.00 H ATOM 56 HB2 TYR A 6 -16.848 53.830 3.945 1.00 0.00 H ATOM 57 HD2 TYR A 6 -20.197 54.829 3.028 1.00 0.00 H ATOM 58 HE2 TYR A 6 -21.022 55.076 0.669 1.00 0.00 H ATOM 59 HE1 TYR A 6 -16.952 54.710 -0.784 1.00 0.00 H ATOM 60 HD1 TYR A 6 -16.134 54.400 1.570 1.00 0.00 H ATOM 61 HH TYR A 6 -20.073 54.489 -1.705 1.00 0.00 H ATOM 62 H TYR A 6 -16.438 55.288 6.249 1.00 0.00 H ATOM 63 N PHE A 7 -17.541 58.201 3.748 1.00 13.70 N ATOM 64 CA PHE A 7 -18.420 59.378 3.698 1.00 14.08 C ATOM 65 C PHE A 7 -19.404 59.421 2.505 1.00 15.96 C ATOM 66 O PHE A 7 -20.146 60.366 2.264 1.00 18.49 O ATOM 67 CB PHE A 7 -17.555 60.650 3.721 1.00 12.75 C ATOM 68 CG PHE A 7 -17.005 61.020 5.085 1.00 13.59 C ATOM 69 CD1 PHE A 7 -16.329 60.082 5.903 1.00 13.93 C ATOM 70 CD2 PHE A 7 -17.178 62.354 5.528 1.00 14.58 C ATOM 71 CE1 PHE A 7 -15.832 60.487 7.165 1.00 13.94 C ATOM 72 CE2 PHE A 7 -16.687 62.762 6.790 1.00 11.62 C ATOM 73 CZ PHE A 7 -16.015 61.822 7.594 1.00 11.97 C ATOM 74 HA PHE A 7 -19.059 59.312 4.578 1.00 0.00 H ATOM 75 HB2 PHE A 7 -16.713 60.500 3.045 1.00 0.00 H ATOM 76 HB3 PHE A 7 -18.163 61.481 3.364 1.00 0.00 H ATOM 77 HD2 PHE A 7 -17.694 63.072 4.891 1.00 0.00 H ATOM 78 HE2 PHE A 7 -16.827 63.787 7.134 1.00 0.00 H ATOM 79 HZ PHE A 7 -15.628 62.129 8.566 1.00 0.00 H ATOM 80 HE1 PHE A 7 -15.311 59.773 7.803 1.00 0.00 H ATOM 81 HD1 PHE A 7 -16.192 59.055 5.563 1.00 0.00 H ATOM 82 H PHE A 7 -16.580 58.263 3.355 1.00 0.00 H ATOM 83 N GLY A 8 -19.388 58.357 1.700 1.00 16.22 N ATOM 84 CA GLY A 8 -20.395 58.313 0.623 1.00 18.16 C ATOM 85 C GLY A 8 -20.490 59.431 -0.437 1.00 21.22 C ATOM 86 O GLY A 8 -19.522 59.830 -1.067 1.00 21.23 O ATOM 87 HA3 GLY A 8 -21.368 58.269 1.113 1.00 0.00 H ATOM 88 HA2 GLY A 8 -20.222 57.385 0.078 1.00 0.00 H ATOM 89 H GLY A 8 -18.695 57.592 1.826 1.00 0.00 H ATOM 90 N LYS A 9 -21.723 59.946 -0.609 1.00 23.18 N ATOM 91 CA LYS A 9 -21.925 61.005 -1.631 1.00 24.25 C ATOM 92 C LYS A 9 -21.548 62.476 -1.291 1.00 22.71 C ATOM 93 O LYS A 9 -21.999 63.439 -1.892 1.00 23.69 O ATOM 94 CB LYS A 9 -23.335 60.890 -2.246 1.00 25.91 C ATOM 95 CG LYS A 9 -23.711 59.432 -2.538 1.00 31.40 C ATOM 96 CD LYS A 9 -24.963 59.244 -3.404 1.00 36.30 C ATOM 97 CE LYS A 9 -25.373 57.764 -3.584 1.00 40.31 C ATOM 98 NZ LYS A 9 -24.321 56.979 -4.245 1.00 42.29 N ATOM 99 HA LYS A 9 -21.151 60.777 -2.364 1.00 0.00 H ATOM 100 HB2 LYS A 9 -24.060 61.309 -1.548 1.00 0.00 H ATOM 101 HB3 LYS A 9 -23.361 61.455 -3.178 1.00 0.00 H ATOM 102 HG2 LYS A 9 -22.872 58.963 -3.051 1.00 0.00 H ATOM 103 HG3 LYS A 9 -23.880 58.929 -1.586 1.00 0.00 H ATOM 104 HD2 LYS A 9 -25.790 59.777 -2.935 1.00 0.00 H ATOM 105 HD3 LYS A 9 -24.769 59.671 -4.388 1.00 0.00 H ATOM 106 HE2 LYS A 9 -26.278 57.720 -4.189 1.00 0.00 H ATOM 107 HE3 LYS A 9 -25.572 57.332 -2.603 1.00 0.00 H ATOM 108 HZ1 LYS A 9 -24.129 57.381 -5.185 1.00 0.00 H ATOM 109 HZ2 LYS A 9 -23.455 57.009 -3.670 1.00 0.00 H ATOM 110 HZ3 LYS A 9 -24.637 55.993 -4.346 1.00 0.00 H ATOM 111 H LYS A 9 -22.521 59.607 -0.035 1.00 0.00 H ATOM 112 N ILE A 10 -20.651 62.597 -0.298 1.00 20.88 N ATOM 113 CA ILE A 10 -20.002 63.892 -0.031 1.00 17.74 C ATOM 114 C ILE A 10 -19.202 64.510 -1.198 1.00 16.76 C ATOM 115 O ILE A 10 -18.479 63.858 -1.948 1.00 16.47 O ATOM 116 CB ILE A 10 -19.166 63.773 1.260 1.00 16.55 C ATOM 117 CG1 ILE A 10 -18.737 65.101 1.871 1.00 17.31 C ATOM 118 CG2 ILE A 10 -17.928 62.920 1.052 1.00 17.05 C ATOM 119 CD1 ILE A 10 -18.036 64.876 3.206 1.00 14.46 C ATOM 120 HA ILE A 10 -20.807 64.615 0.099 1.00 0.00 H ATOM 121 HB ILE A 10 -19.849 63.297 1.964 1.00 0.00 H ATOM 122 HG12 ILE A 10 -18.054 65.606 1.188 1.00 0.00 H ATOM 123 HG13 ILE A 10 -19.617 65.724 2.029 1.00 0.00 H ATOM 124 HD11 ILE A 10 -18.718 64.374 3.893 1.00 0.00 H ATOM 125 HD12 ILE A 10 -17.153 64.256 3.051 1.00 0.00 H ATOM 126 HD13 ILE A 10 -17.738 65.837 3.625 1.00 0.00 H ATOM 127 HG21 ILE A 10 -18.226 61.918 0.743 1.00 0.00 H ATOM 128 HG22 ILE A 10 -17.304 63.370 0.279 1.00 0.00 H ATOM 129 HG23 ILE A 10 -17.367 62.862 1.985 1.00 0.00 H ATOM 130 H ILE A 10 -20.413 61.770 0.286 1.00 0.00 H ATOM 131 N THR A 11 -19.388 65.832 -1.334 1.00 16.81 N ATOM 132 CA THR A 11 -18.701 66.499 -2.451 1.00 16.12 C ATOM 133 C THR A 11 -17.208 66.669 -2.291 1.00 13.88 C ATOM 134 O THR A 11 -16.656 66.689 -1.202 1.00 14.50 O ATOM 135 CB THR A 11 -19.288 67.884 -2.760 1.00 15.86 C ATOM 136 OG1 THR A 11 -19.036 68.814 -1.698 1.00 18.57 O ATOM 137 CG2 THR A 11 -20.783 67.796 -3.016 1.00 16.95 C ATOM 138 HA THR A 11 -18.873 65.804 -3.273 1.00 0.00 H ATOM 139 HB THR A 11 -18.792 68.246 -3.660 1.00 0.00 H ATOM 140 HG1 THR A 11 -19.427 69.693 -1.931 1.00 0.00 H ATOM 141 HG23 THR A 11 -20.971 67.088 -3.824 1.00 0.00 H ATOM 142 HG21 THR A 11 -21.286 67.458 -2.110 1.00 0.00 H ATOM 143 HG22 THR A 11 -21.161 68.779 -3.297 1.00 0.00 H ATOM 144 H THR A 11 -19.993 66.364 -0.676 1.00 0.00 H ATOM 145 N ARG A 12 -16.527 66.859 -3.412 1.00 15.11 N ATOM 146 CA ARG A 12 -15.101 67.215 -3.321 1.00 13.38 C ATOM 147 C ARG A 12 -14.780 68.406 -2.422 1.00 11.63 C ATOM 148 O ARG A 12 -14.033 68.310 -1.464 1.00 10.45 O ATOM 149 CB ARG A 12 -14.582 67.488 -4.720 1.00 12.05 C ATOM 150 CG ARG A 12 -13.117 67.787 -4.743 1.00 12.24 C ATOM 151 CD ARG A 12 -12.820 68.744 -5.861 1.00 16.47 C ATOM 152 NE ARG A 12 -11.454 69.168 -5.654 1.00 24.67 N ATOM 153 CZ ARG A 12 -10.633 69.358 -6.661 1.00 27.77 C ATOM 154 NH1 ARG A 12 -11.046 69.123 -7.886 1.00 30.34 N ATOM 155 NH2 ARG A 12 -9.430 69.800 -6.401 1.00 26.79 N ATOM 156 HA ARG A 12 -14.608 66.363 -2.853 1.00 0.00 H ATOM 157 HB2 ARG A 12 -14.769 66.611 -5.339 1.00 0.00 H ATOM 158 HB3 ARG A 12 -15.119 68.343 -5.131 1.00 0.00 H ATOM 159 HG2 ARG A 12 -12.822 68.234 -3.794 1.00 0.00 H ATOM 160 HG3 ARG A 12 -12.559 66.863 -4.897 1.00 0.00 H ATOM 161 HD2 ARG A 12 -13.495 69.599 -5.820 1.00 0.00 H ATOM 162 HD3 ARG A 12 -12.923 68.247 -6.826 1.00 0.00 H ATOM 163 HE ARG A 12 -11.113 69.326 -4.684 1.00 0.00 H ATOM 164 HH12 ARG A 12 -10.402 69.271 -8.689 1.00 0.00 H ATOM 165 HH11 ARG A 12 -12.017 68.789 -8.052 1.00 0.00 H ATOM 166 HH22 ARG A 12 -8.756 69.961 -7.177 1.00 0.00 H ATOM 167 HH21 ARG A 12 -9.147 69.991 -5.419 1.00 0.00 H ATOM 168 H ARG A 12 -16.991 66.759 -4.338 1.00 0.00 H ATOM 169 N ARG A 13 -15.461 69.507 -2.743 1.00 11.52 N ATOM 170 CA ARG A 13 -15.298 70.707 -1.934 1.00 13.01 C ATOM 171 C ARG A 13 -15.628 70.600 -0.434 1.00 12.71 C ATOM 172 O ARG A 13 -14.865 71.022 0.428 1.00 13.10 O ATOM 173 CB ARG A 13 -16.013 71.855 -2.652 1.00 13.88 C ATOM 174 CG ARG A 13 -15.279 73.200 -2.552 1.00 19.68 C ATOM 175 CD ARG A 13 -13.874 73.239 -3.205 1.00 24.82 C ATOM 176 NE ARG A 13 -13.855 73.412 -4.664 1.00 27.26 N ATOM 177 CZ ARG A 13 -12.810 73.119 -5.452 1.00 31.29 C ATOM 178 NH1 ARG A 13 -11.756 72.466 -5.034 1.00 29.72 N ATOM 179 NH2 ARG A 13 -12.862 73.492 -6.704 1.00 32.15 N ATOM 180 HA ARG A 13 -14.228 70.901 -1.866 1.00 0.00 H ATOM 181 HB2 ARG A 13 -16.111 71.594 -3.706 1.00 0.00 H ATOM 182 HB3 ARG A 13 -17.004 71.971 -2.214 1.00 0.00 H ATOM 183 HG2 ARG A 13 -15.896 73.957 -3.035 1.00 0.00 H ATOM 184 HG3 ARG A 13 -15.166 73.445 -1.496 1.00 0.00 H ATOM 185 HD2 ARG A 13 -13.370 72.301 -2.972 1.00 0.00 H ATOM 186 HD3 ARG A 13 -13.321 74.067 -2.762 1.00 0.00 H ATOM 187 HE ARG A 13 -14.712 73.788 -5.117 1.00 0.00 H ATOM 188 HH12 ARG A 13 -10.974 72.266 -5.690 1.00 0.00 H ATOM 189 HH11 ARG A 13 -11.700 72.147 -4.046 1.00 0.00 H ATOM 190 HH22 ARG A 13 -12.069 73.281 -7.343 1.00 0.00 H ATOM 191 HH21 ARG A 13 -13.696 74.000 -7.061 1.00 0.00 H ATOM 192 H ARG A 13 -16.102 69.509 -3.562 1.00 0.00 H ATOM 193 N GLU A 14 -16.761 69.946 -0.118 1.00 12.45 N ATOM 194 CA GLU A 14 -17.001 69.741 1.335 1.00 13.89 C ATOM 195 C GLU A 14 -15.979 68.837 2.046 1.00 12.76 C ATOM 196 O GLU A 14 -15.572 69.009 3.191 1.00 13.59 O ATOM 197 CB GLU A 14 -18.424 69.210 1.628 1.00 16.31 C ATOM 198 CG GLU A 14 -19.589 70.228 1.611 1.00 15.98 C ATOM 199 CD GLU A 14 -19.630 71.047 2.900 1.00 19.34 C ATOM 200 OE1 GLU A 14 -18.963 72.072 3.004 1.00 18.21 O ATOM 201 OE2 GLU A 14 -20.327 70.663 3.834 1.00 18.72 O ATOM 202 HA GLU A 14 -16.882 70.743 1.747 1.00 0.00 H ATOM 203 HB2 GLU A 14 -18.647 68.447 0.882 1.00 0.00 H ATOM 204 HB3 GLU A 14 -18.404 68.754 2.618 1.00 0.00 H ATOM 205 HG2 GLU A 14 -19.459 70.903 0.765 1.00 0.00 H ATOM 206 HG3 GLU A 14 -20.530 69.689 1.502 1.00 0.00 H ATOM 207 H GLU A 14 -17.425 69.606 -0.843 1.00 0.00 H ATOM 208 N SER A 15 -15.521 67.843 1.276 1.00 12.46 N ATOM 209 CA SER A 15 -14.477 66.983 1.851 1.00 12.95 C ATOM 210 C SER A 15 -13.128 67.651 2.098 1.00 13.43 C ATOM 211 O SER A 15 -12.490 67.482 3.125 1.00 14.64 O ATOM 212 CB SER A 15 -14.327 65.684 1.056 1.00 11.74 C ATOM 213 OG SER A 15 -13.786 65.917 -0.242 1.00 12.99 O ATOM 214 HA SER A 15 -14.841 66.750 2.852 1.00 0.00 H ATOM 215 HB2 SER A 15 -15.307 65.219 0.952 1.00 0.00 H ATOM 216 HB3 SER A 15 -13.663 65.012 1.600 1.00 0.00 H ATOM 217 HG SER A 15 -14.387 66.522 -0.745 1.00 0.00 H ATOM 218 H SER A 15 -15.887 67.686 0.315 1.00 0.00 H ATOM 219 N GLU A 16 -12.763 68.528 1.153 1.00 14.42 N ATOM 220 CA GLU A 16 -11.653 69.465 1.374 1.00 12.96 C ATOM 221 C GLU A 16 -11.815 70.431 2.558 1.00 12.16 C ATOM 222 O GLU A 16 -10.918 70.608 3.369 1.00 12.99 O ATOM 223 CB GLU A 16 -11.364 70.257 0.088 1.00 14.66 C ATOM 224 CG GLU A 16 -11.025 69.430 -1.169 1.00 14.06 C ATOM 225 CD GLU A 16 -10.809 70.333 -2.382 1.00 14.48 C ATOM 226 OE1 GLU A 16 -11.496 71.332 -2.537 1.00 18.23 O ATOM 227 OE2 GLU A 16 -9.958 70.055 -3.209 1.00 15.71 O ATOM 228 HA GLU A 16 -10.809 68.831 1.645 1.00 0.00 H ATOM 229 HB2 GLU A 16 -12.246 70.856 -0.138 1.00 0.00 H ATOM 230 HB3 GLU A 16 -10.520 70.917 0.288 1.00 0.00 H ATOM 231 HG2 GLU A 16 -10.115 68.858 -0.984 1.00 0.00 H ATOM 232 HG3 GLU A 16 -11.847 68.745 -1.377 1.00 0.00 H ATOM 233 H GLU A 16 -13.274 68.546 0.247 1.00 0.00 H ATOM 234 N ARG A 17 -13.015 71.028 2.695 1.00 11.04 N ATOM 235 CA ARG A 17 -13.270 71.789 3.926 1.00 9.27 C ATOM 236 C ARG A 17 -13.167 71.035 5.261 1.00 9.60 C ATOM 237 O ARG A 17 -12.587 71.522 6.222 1.00 10.48 O ATOM 238 CB ARG A 17 -14.612 72.519 3.853 1.00 10.36 C ATOM 239 CG ARG A 17 -14.860 73.356 5.114 1.00 9.65 C ATOM 240 CD ARG A 17 -16.255 73.940 5.153 1.00 14.54 C ATOM 241 NE ARG A 17 -17.266 72.899 5.117 1.00 15.23 N ATOM 242 CZ ARG A 17 -17.832 72.373 6.178 1.00 13.63 C ATOM 243 NH1 ARG A 17 -17.427 72.684 7.377 1.00 11.51 N ATOM 244 NH2 ARG A 17 -18.818 71.546 5.997 1.00 15.34 N ATOM 245 HA ARG A 17 -12.433 72.487 3.948 1.00 0.00 H ATOM 246 HB2 ARG A 17 -14.612 73.177 2.984 1.00 0.00 H ATOM 247 HB3 ARG A 17 -15.411 71.785 3.751 1.00 0.00 H ATOM 248 HG2 ARG A 17 -14.721 72.721 5.989 1.00 0.00 H ATOM 249 HG3 ARG A 17 -14.138 74.172 5.141 1.00 0.00 H ATOM 250 HD2 ARG A 17 -16.390 74.595 4.293 1.00 0.00 H ATOM 251 HD3 ARG A 17 -16.373 74.517 6.070 1.00 0.00 H ATOM 252 HE ARG A 17 -17.563 72.545 4.185 1.00 0.00 H ATOM 253 HH12 ARG A 17 -17.886 72.258 8.208 1.00 0.00 H ATOM 254 HH11 ARG A 17 -16.645 73.358 7.503 1.00 0.00 H ATOM 255 HH22 ARG A 17 -19.289 71.111 6.816 1.00 0.00 H ATOM 256 HH21 ARG A 17 -19.136 71.319 5.033 1.00 0.00 H ATOM 257 H ARG A 17 -13.739 70.953 1.952 1.00 0.00 H ATOM 258 N LEU A 18 -13.732 69.814 5.315 1.00 9.36 N ATOM 259 CA LEU A 18 -13.525 68.941 6.492 1.00 7.65 C ATOM 260 C LEU A 18 -12.082 68.531 6.792 1.00 6.31 C ATOM 261 O LEU A 18 -11.535 68.699 7.876 1.00 4.65 O ATOM 262 CB LEU A 18 -14.347 67.659 6.318 1.00 11.23 C ATOM 263 CG LEU A 18 -15.747 67.611 6.929 1.00 12.08 C ATOM 264 CD1 LEU A 18 -16.396 68.983 7.070 1.00 13.37 C ATOM 265 CD2 LEU A 18 -16.609 66.631 6.133 1.00 9.60 C ATOM 266 HA LEU A 18 -13.842 69.551 7.338 1.00 0.00 H ATOM 267 HB2 LEU A 18 -14.455 67.487 5.247 1.00 0.00 H ATOM 268 HB3 LEU A 18 -13.773 66.844 6.760 1.00 0.00 H ATOM 269 HG LEU A 18 -15.656 67.251 7.954 1.00 0.00 H ATOM 270 HD21 LEU A 18 -16.672 66.964 5.097 1.00 0.00 H ATOM 271 HD22 LEU A 18 -16.158 65.639 6.171 1.00 0.00 H ATOM 272 HD23 LEU A 18 -17.609 66.594 6.566 1.00 0.00 H ATOM 273 HD11 LEU A 18 -15.780 69.611 7.714 1.00 0.00 H ATOM 274 HD12 LEU A 18 -16.484 69.445 6.087 1.00 0.00 H ATOM 275 HD13 LEU A 18 -17.387 68.871 7.510 1.00 0.00 H ATOM 276 H LEU A 18 -14.319 69.482 4.523 1.00 0.00 H ATOM 277 N LEU A 19 -11.462 67.990 5.738 1.00 5.66 N ATOM 278 CA LEU A 19 -10.046 67.631 5.803 1.00 6.73 C ATOM 279 C LEU A 19 -9.045 68.731 6.172 1.00 8.45 C ATOM 280 O LEU A 19 -8.130 68.494 6.956 1.00 8.21 O ATOM 281 CB LEU A 19 -9.584 66.994 4.502 1.00 4.66 C ATOM 282 CG LEU A 19 -10.063 65.570 4.332 1.00 6.76 C ATOM 283 CD1 LEU A 19 -10.025 65.148 2.868 1.00 6.97 C ATOM 284 CD2 LEU A 19 -9.279 64.593 5.201 1.00 7.28 C ATOM 285 HA LEU A 19 -10.032 66.937 6.643 1.00 0.00 H ATOM 286 HB2 LEU A 19 -9.963 67.589 3.671 1.00 0.00 H ATOM 287 HB3 LEU A 19 -8.494 66.998 4.482 1.00 0.00 H ATOM 288 HG LEU A 19 -11.099 65.541 4.669 1.00 0.00 H ATOM 289 HD21 LEU A 19 -8.224 64.632 4.928 1.00 0.00 H ATOM 290 HD22 LEU A 19 -9.395 64.868 6.249 1.00 0.00 H ATOM 291 HD23 LEU A 19 -9.659 63.584 5.044 1.00 0.00 H ATOM 292 HD11 LEU A 19 -10.670 65.805 2.285 1.00 0.00 H ATOM 293 HD12 LEU A 19 -9.002 65.219 2.497 1.00 0.00 H ATOM 294 HD13 LEU A 19 -10.375 64.120 2.778 1.00 0.00 H ATOM 295 H LEU A 19 -11.994 67.822 4.860 1.00 0.00 H ATOM 296 N LEU A 20 -9.263 69.947 5.617 1.00 8.60 N ATOM 297 CA LEU A 20 -8.314 71.061 5.857 1.00 9.81 C ATOM 298 C LEU A 20 -8.136 71.648 7.261 1.00 10.01 C ATOM 299 O LEU A 20 -7.196 72.379 7.542 1.00 11.38 O ATOM 300 CB LEU A 20 -8.537 72.183 4.849 1.00 8.30 C ATOM 301 CG LEU A 20 -8.054 71.716 3.484 1.00 9.37 C ATOM 302 CD1 LEU A 20 -8.651 72.559 2.358 1.00 13.38 C ATOM 303 CD2 LEU A 20 -6.523 71.677 3.401 1.00 10.76 C ATOM 304 HA LEU A 20 -7.366 70.540 5.725 1.00 0.00 H ATOM 305 HB2 LEU A 20 -9.598 72.426 4.799 1.00 0.00 H ATOM 306 HB3 LEU A 20 -7.977 73.067 5.154 1.00 0.00 H ATOM 307 HG LEU A 20 -8.410 70.694 3.354 1.00 0.00 H ATOM 308 HD21 LEU A 20 -6.125 72.676 3.581 1.00 0.00 H ATOM 309 HD22 LEU A 20 -6.137 70.990 4.154 1.00 0.00 H ATOM 310 HD23 LEU A 20 -6.223 71.338 2.409 1.00 0.00 H ATOM 311 HD11 LEU A 20 -9.738 72.481 2.384 1.00 0.00 H ATOM 312 HD12 LEU A 20 -8.357 73.600 2.490 1.00 0.00 H ATOM 313 HD13 LEU A 20 -8.283 72.195 1.399 1.00 0.00 H ATOM 314 H LEU A 20 -10.100 70.100 5.019 1.00 0.00 H ATOM 315 N ASN A 21 -9.054 71.267 8.160 1.00 10.56 N ATOM 316 CA ASN A 21 -8.937 71.682 9.576 1.00 12.35 C ATOM 317 C ASN A 21 -7.529 71.486 10.209 1.00 12.35 C ATOM 318 O ASN A 21 -6.999 70.379 10.283 1.00 9.90 O ATOM 319 CB ASN A 21 -10.061 70.964 10.356 1.00 14.06 C ATOM 320 CG ASN A 21 -10.087 71.320 11.831 1.00 15.89 C ATOM 321 OD1 ASN A 21 -9.471 72.246 12.309 1.00 17.87 O ATOM 322 ND2 ASN A 21 -10.780 70.512 12.579 1.00 19.73 N ATOM 323 HA ASN A 21 -9.059 72.764 9.632 1.00 0.00 H ATOM 324 HB2 ASN A 21 -11.019 71.240 9.916 1.00 0.00 H ATOM 325 HB3 ASN A 21 -9.916 69.888 10.262 1.00 0.00 H ATOM 326 HD22 ASN A 21 -11.302 69.723 12.147 1.00 0.00 H ATOM 327 HD21 ASN A 21 -10.812 70.655 13.609 1.00 0.00 H ATOM 328 H ASN A 21 -9.855 70.675 7.860 1.00 0.00 H ATOM 329 N PRO A 22 -6.904 72.614 10.625 1.00 11.98 N ATOM 330 CA PRO A 22 -5.516 72.535 11.105 1.00 11.80 C ATOM 331 C PRO A 22 -5.215 71.522 12.194 1.00 11.18 C ATOM 332 O PRO A 22 -4.117 71.005 12.299 1.00 13.25 O ATOM 333 CB PRO A 22 -5.211 73.976 11.490 1.00 11.20 C ATOM 334 CG PRO A 22 -6.087 74.807 10.562 1.00 11.19 C ATOM 335 CD PRO A 22 -7.377 73.990 10.513 1.00 11.47 C ATOM 336 HA PRO A 22 -4.861 72.135 10.331 1.00 0.00 H ATOM 337 HD3 PRO A 22 -8.034 74.247 11.344 1.00 0.00 H ATOM 338 HD2 PRO A 22 -7.904 74.147 9.572 1.00 0.00 H ATOM 339 HG3 PRO A 22 -5.639 74.898 9.572 1.00 0.00 H ATOM 340 HG2 PRO A 22 -6.265 75.801 10.972 1.00 0.00 H ATOM 341 HB2 PRO A 22 -5.469 74.160 12.533 1.00 0.00 H ATOM 342 HB3 PRO A 22 -4.157 74.203 11.332 1.00 0.00 H ATOM 343 N GLU A 23 -6.258 71.217 12.968 1.00 11.71 N ATOM 344 CA GLU A 23 -6.178 70.111 13.924 1.00 12.00 C ATOM 345 C GLU A 23 -5.930 68.699 13.416 1.00 12.04 C ATOM 346 O GLU A 23 -5.367 67.865 14.110 1.00 14.01 O ATOM 347 CB GLU A 23 -7.436 70.084 14.753 1.00 14.93 C ATOM 348 CG GLU A 23 -7.515 71.328 15.622 1.00 22.70 C ATOM 349 CD GLU A 23 -8.771 71.197 16.445 1.00 28.06 C ATOM 350 OE1 GLU A 23 -8.715 70.484 17.441 1.00 30.38 O ATOM 351 OE2 GLU A 23 -9.796 71.788 16.086 1.00 30.65 O ATOM 352 HA GLU A 23 -5.267 70.350 14.472 1.00 0.00 H ATOM 353 HB2 GLU A 23 -8.303 70.049 14.093 1.00 0.00 H ATOM 354 HB3 GLU A 23 -7.430 69.199 15.389 1.00 0.00 H ATOM 355 HG2 GLU A 23 -6.643 71.389 16.273 1.00 0.00 H ATOM 356 HG3 GLU A 23 -7.565 72.221 14.998 1.00 0.00 H ATOM 357 H GLU A 23 -7.136 71.770 12.892 1.00 0.00 H ATOM 358 N ASN A 24 -6.352 68.450 12.174 1.00 11.55 N ATOM 359 CA ASN A 24 -6.063 67.178 11.495 1.00 11.78 C ATOM 360 C ASN A 24 -4.582 66.900 11.208 1.00 12.31 C ATOM 361 O ASN A 24 -3.904 67.635 10.500 1.00 14.61 O ATOM 362 CB ASN A 24 -6.842 67.071 10.162 1.00 12.25 C ATOM 363 CG ASN A 24 -8.337 66.835 10.388 1.00 12.41 C ATOM 364 OD1 ASN A 24 -8.802 66.240 11.351 1.00 11.50 O ATOM 365 ND2 ASN A 24 -9.117 67.345 9.446 1.00 11.40 N ATOM 366 HA ASN A 24 -6.388 66.425 12.213 1.00 0.00 H ATOM 367 HB2 ASN A 24 -6.712 67.998 9.603 1.00 0.00 H ATOM 368 HB3 ASN A 24 -6.438 66.240 9.584 1.00 0.00 H ATOM 369 HD22 ASN A 24 -8.696 67.846 8.638 1.00 0.00 H ATOM 370 HD21 ASN A 24 -10.150 67.244 9.515 1.00 0.00 H ATOM 371 H ASN A 24 -6.901 69.177 11.672 1.00 0.00 H ATOM 372 N PRO A 25 -4.077 65.763 11.741 1.00 12.94 N ATOM 373 CA PRO A 25 -2.705 65.396 11.368 1.00 13.09 C ATOM 374 C PRO A 25 -2.552 65.017 9.891 1.00 12.70 C ATOM 375 O PRO A 25 -3.480 64.649 9.179 1.00 15.58 O ATOM 376 CB PRO A 25 -2.413 64.220 12.310 1.00 12.24 C ATOM 377 CG PRO A 25 -3.773 63.569 12.557 1.00 13.40 C ATOM 378 CD PRO A 25 -4.711 64.782 12.629 1.00 14.01 C ATOM 379 HA PRO A 25 -2.005 66.225 11.472 1.00 0.00 H ATOM 380 HD3 PRO A 25 -5.709 64.524 12.275 1.00 0.00 H ATOM 381 HD2 PRO A 25 -4.776 65.164 13.648 1.00 0.00 H ATOM 382 HG3 PRO A 25 -3.779 63.010 13.493 1.00 0.00 H ATOM 383 HG2 PRO A 25 -4.048 62.906 11.737 1.00 0.00 H ATOM 384 HB2 PRO A 25 -1.728 63.513 11.841 1.00 0.00 H ATOM 385 HB3 PRO A 25 -1.982 64.575 13.246 1.00 0.00 H ATOM 386 N ARG A 26 -1.319 65.064 9.450 1.00 12.40 N ATOM 387 CA ARG A 26 -1.032 64.495 8.132 1.00 10.10 C ATOM 388 C ARG A 26 -1.471 63.041 7.901 1.00 9.77 C ATOM 389 O ARG A 26 -1.290 62.167 8.741 1.00 10.76 O ATOM 390 CB ARG A 26 0.467 64.649 7.914 1.00 11.64 C ATOM 391 CG ARG A 26 0.823 65.372 6.646 1.00 12.65 C ATOM 392 CD ARG A 26 2.328 65.383 6.523 1.00 11.17 C ATOM 393 NE ARG A 26 2.644 65.139 5.126 1.00 11.38 N ATOM 394 CZ ARG A 26 3.867 65.298 4.654 1.00 12.01 C ATOM 395 NH1 ARG A 26 4.885 65.619 5.417 1.00 12.17 N ATOM 396 NH2 ARG A 26 4.049 65.142 3.379 1.00 13.59 N ATOM 397 HA ARG A 26 -1.634 65.042 7.406 1.00 0.00 H ATOM 398 HB2 ARG A 26 0.882 65.205 8.755 1.00 0.00 H ATOM 399 HB3 ARG A 26 0.914 63.655 7.881 1.00 0.00 H ATOM 400 HG2 ARG A 26 0.385 64.857 5.791 1.00 0.00 H ATOM 401 HG3 ARG A 26 0.447 66.394 6.685 1.00 0.00 H ATOM 402 HD2 ARG A 26 2.760 64.601 7.147 1.00 0.00 H ATOM 403 HD3 ARG A 26 2.722 66.351 6.832 1.00 0.00 H ATOM 404 HE ARG A 26 1.888 64.831 4.482 1.00 0.00 H ATOM 405 HH12 ARG A 26 5.831 65.734 5.001 1.00 0.00 H ATOM 406 HH11 ARG A 26 4.746 65.759 6.438 1.00 0.00 H ATOM 407 HH22 ARG A 26 4.998 65.259 2.971 1.00 0.00 H ATOM 408 HH21 ARG A 26 3.245 64.900 2.765 1.00 0.00 H ATOM 409 H ARG A 26 -0.564 65.494 10.021 1.00 0.00 H ATOM 410 N GLY A 27 -2.098 62.824 6.735 1.00 8.66 N ATOM 411 CA GLY A 27 -2.726 61.522 6.474 1.00 7.34 C ATOM 412 C GLY A 27 -4.141 61.317 7.043 1.00 8.34 C ATOM 413 O GLY A 27 -4.719 60.232 7.018 1.00 8.73 O ATOM 414 HA3 GLY A 27 -2.083 60.752 6.900 1.00 0.00 H ATOM 415 HA2 GLY A 27 -2.781 61.391 5.393 1.00 0.00 H ATOM 416 H GLY A 27 -2.139 63.576 6.018 1.00 0.00 H ATOM 417 N THR A 28 -4.727 62.429 7.542 1.00 9.23 N ATOM 418 CA THR A 28 -6.193 62.368 7.750 1.00 10.31 C ATOM 419 C THR A 28 -6.968 62.119 6.451 1.00 11.40 C ATOM 420 O THR A 28 -6.673 62.684 5.405 1.00 10.76 O ATOM 421 CB THR A 28 -6.757 63.608 8.466 1.00 8.23 C ATOM 422 OG1 THR A 28 -6.076 63.774 9.691 1.00 11.67 O ATOM 423 CG2 THR A 28 -8.245 63.554 8.774 1.00 5.97 C ATOM 424 HA THR A 28 -6.340 61.509 8.405 1.00 0.00 H ATOM 425 HB THR A 28 -6.609 64.436 7.773 1.00 0.00 H ATOM 426 HG1 THR A 28 -5.109 63.897 9.516 1.00 0.00 H ATOM 427 HG23 THR A 28 -8.802 63.426 7.846 1.00 0.00 H ATOM 428 HG21 THR A 28 -8.447 62.715 9.439 1.00 0.00 H ATOM 429 HG22 THR A 28 -8.549 64.483 9.257 1.00 0.00 H ATOM 430 H THR A 28 -4.177 63.283 7.768 1.00 0.00 H ATOM 431 N PHE A 29 -7.956 61.213 6.541 1.00 12.28 N ATOM 432 CA PHE A 29 -8.577 60.780 5.290 1.00 11.01 C ATOM 433 C PHE A 29 -10.071 60.532 5.344 1.00 11.27 C ATOM 434 O PHE A 29 -10.680 60.254 6.381 1.00 9.89 O ATOM 435 CB PHE A 29 -7.809 59.585 4.670 1.00 10.76 C ATOM 436 CG PHE A 29 -8.100 58.280 5.370 1.00 9.51 C ATOM 437 CD1 PHE A 29 -7.478 57.981 6.608 1.00 10.86 C ATOM 438 CD2 PHE A 29 -9.015 57.385 4.777 1.00 7.99 C ATOM 439 CE1 PHE A 29 -7.820 56.796 7.292 1.00 9.05 C ATOM 440 CE2 PHE A 29 -9.361 56.206 5.465 1.00 9.09 C ATOM 441 CZ PHE A 29 -8.785 55.933 6.726 1.00 8.37 C ATOM 442 HA PHE A 29 -8.488 61.641 4.628 1.00 0.00 H ATOM 443 HB2 PHE A 29 -8.096 59.491 3.623 1.00 0.00 H ATOM 444 HB3 PHE A 29 -6.740 59.785 4.736 1.00 0.00 H ATOM 445 HD2 PHE A 29 -9.448 57.603 3.801 1.00 0.00 H ATOM 446 HE2 PHE A 29 -10.071 55.506 5.026 1.00 0.00 H ATOM 447 HZ PHE A 29 -9.091 55.040 7.272 1.00 0.00 H ATOM 448 HE1 PHE A 29 -7.347 56.550 8.243 1.00 0.00 H ATOM 449 HD1 PHE A 29 -6.739 58.663 7.029 1.00 0.00 H ATOM 450 H PHE A 29 -8.265 60.836 7.460 1.00 0.00 H ATOM 451 N LEU A 30 -10.612 60.608 4.122 1.00 11.77 N ATOM 452 CA LEU A 30 -11.887 59.927 3.868 1.00 11.50 C ATOM 453 C LEU A 30 -11.991 59.158 2.539 1.00 10.94 C ATOM 454 O LEU A 30 -11.266 59.405 1.575 1.00 11.02 O ATOM 455 CB LEU A 30 -13.110 60.847 4.172 1.00 10.07 C ATOM 456 CG LEU A 30 -13.752 61.974 3.293 1.00 10.88 C ATOM 457 CD1 LEU A 30 -13.361 63.388 3.728 1.00 10.06 C ATOM 458 CD2 LEU A 30 -13.755 61.763 1.776 1.00 6.32 C ATOM 459 HA LEU A 30 -11.912 59.115 4.595 1.00 0.00 H ATOM 460 HB2 LEU A 30 -13.929 60.152 4.359 1.00 0.00 H ATOM 461 HB3 LEU A 30 -12.843 61.350 5.101 1.00 0.00 H ATOM 462 HG LEU A 30 -14.812 61.867 3.525 1.00 0.00 H ATOM 463 HD21 LEU A 30 -12.729 61.666 1.422 1.00 0.00 H ATOM 464 HD22 LEU A 30 -14.310 60.856 1.538 1.00 0.00 H ATOM 465 HD23 LEU A 30 -14.228 62.618 1.293 1.00 0.00 H ATOM 466 HD11 LEU A 30 -13.684 63.553 4.756 1.00 0.00 H ATOM 467 HD12 LEU A 30 -12.279 63.501 3.663 1.00 0.00 H ATOM 468 HD13 LEU A 30 -13.843 64.114 3.074 1.00 0.00 H ATOM 469 H LEU A 30 -10.137 61.141 3.365 1.00 0.00 H ATOM 470 N VAL A 31 -12.973 58.248 2.499 1.00 11.11 N ATOM 471 CA VAL A 31 -13.406 57.817 1.161 1.00 10.09 C ATOM 472 C VAL A 31 -14.843 58.148 0.790 1.00 10.41 C ATOM 473 O VAL A 31 -15.762 58.171 1.600 1.00 11.69 O ATOM 474 CB VAL A 31 -12.956 56.375 0.741 1.00 10.59 C ATOM 475 CG1 VAL A 31 -12.069 55.684 1.774 1.00 8.64 C ATOM 476 CG2 VAL A 31 -14.038 55.460 0.152 1.00 10.95 C ATOM 477 HA VAL A 31 -12.820 58.476 0.520 1.00 0.00 H ATOM 478 HB VAL A 31 -12.322 56.574 -0.123 1.00 0.00 H ATOM 479 HG11 VAL A 31 -11.166 56.274 1.929 1.00 0.00 H ATOM 480 HG12 VAL A 31 -12.612 55.594 2.715 1.00 0.00 H ATOM 481 HG13 VAL A 31 -11.798 54.692 1.413 1.00 0.00 H ATOM 482 HG21 VAL A 31 -14.833 55.321 0.885 1.00 0.00 H ATOM 483 HG22 VAL A 31 -14.448 55.917 -0.749 1.00 0.00 H ATOM 484 HG23 VAL A 31 -13.599 54.494 -0.097 1.00 0.00 H ATOM 485 H VAL A 31 -13.405 57.868 3.365 1.00 0.00 H ATOM 486 N ARG A 32 -14.977 58.471 -0.493 1.00 10.35 N ATOM 487 CA ARG A 32 -16.261 58.943 -0.993 1.00 9.27 C ATOM 488 C ARG A 32 -16.511 58.462 -2.403 1.00 10.18 C ATOM 489 O ARG A 32 -15.632 57.933 -3.065 1.00 9.64 O ATOM 490 CB ARG A 32 -16.320 60.472 -0.994 1.00 8.95 C ATOM 491 CG ARG A 32 -15.182 61.136 -1.788 1.00 11.59 C ATOM 492 CD ARG A 32 -15.307 62.655 -1.933 1.00 11.18 C ATOM 493 NE ARG A 32 -14.157 63.247 -2.618 1.00 9.85 N ATOM 494 CZ ARG A 32 -14.245 63.544 -3.918 1.00 11.11 C ATOM 495 NH1 ARG A 32 -15.299 63.238 -4.629 1.00 10.72 N ATOM 496 NH2 ARG A 32 -13.251 64.151 -4.507 1.00 8.45 N ATOM 497 HA ARG A 32 -17.025 58.541 -0.327 1.00 0.00 H ATOM 498 HB2 ARG A 32 -17.270 60.779 -1.432 1.00 0.00 H ATOM 499 HB3 ARG A 32 -16.268 60.819 0.038 1.00 0.00 H ATOM 500 HG2 ARG A 32 -14.242 60.919 -1.281 1.00 0.00 H ATOM 501 HG3 ARG A 32 -15.164 60.699 -2.787 1.00 0.00 H ATOM 502 HD2 ARG A 32 -15.388 63.096 -0.940 1.00 0.00 H ATOM 503 HD3 ARG A 32 -16.208 62.879 -2.504 1.00 0.00 H ATOM 504 HE ARG A 32 -13.277 63.435 -2.096 1.00 0.00 H ATOM 505 HH12 ARG A 32 -15.334 63.484 -5.639 1.00 0.00 H ATOM 506 HH11 ARG A 32 -16.102 62.749 -4.185 1.00 0.00 H ATOM 507 HH22 ARG A 32 -13.311 64.386 -5.518 1.00 0.00 H ATOM 508 HH21 ARG A 32 -12.399 64.400 -3.965 1.00 0.00 H ATOM 509 H ARG A 32 -14.166 58.387 -1.139 1.00 0.00 H ATOM 510 N GLU A 33 -17.706 58.746 -2.892 1.00 11.34 N ATOM 511 CA GLU A 33 -17.818 58.661 -4.344 1.00 13.36 C ATOM 512 C GLU A 33 -17.015 59.691 -5.180 1.00 12.79 C ATOM 513 O GLU A 33 -16.741 60.833 -4.812 1.00 14.06 O ATOM 514 CB GLU A 33 -19.303 58.639 -4.722 1.00 15.23 C ATOM 515 CG GLU A 33 -20.074 57.571 -3.942 1.00 17.44 C ATOM 516 CD GLU A 33 -21.456 57.291 -4.533 1.00 19.00 C ATOM 517 OE1 GLU A 33 -22.106 58.156 -5.089 1.00 19.84 O ATOM 518 OE2 GLU A 33 -21.933 56.176 -4.426 1.00 21.47 O ATOM 519 HA GLU A 33 -17.325 57.729 -4.620 1.00 0.00 H ATOM 520 HB2 GLU A 33 -19.737 59.615 -4.506 1.00 0.00 H ATOM 521 HB3 GLU A 33 -19.393 58.431 -5.788 1.00 0.00 H ATOM 522 HG2 GLU A 33 -19.496 56.647 -3.952 1.00 0.00 H ATOM 523 HG3 GLU A 33 -20.197 57.910 -2.913 1.00 0.00 H ATOM 524 H GLU A 33 -18.508 59.011 -2.285 1.00 0.00 H ATOM 525 N SER A 34 -16.648 59.237 -6.378 1.00 13.14 N ATOM 526 CA SER A 34 -16.310 60.215 -7.417 1.00 12.59 C ATOM 527 C SER A 34 -17.486 61.021 -7.999 1.00 14.18 C ATOM 528 O SER A 34 -18.445 60.445 -8.495 1.00 15.22 O ATOM 529 CB SER A 34 -15.610 59.545 -8.592 1.00 10.32 C ATOM 530 OG SER A 34 -15.203 60.595 -9.483 1.00 14.53 O ATOM 531 HA SER A 34 -15.667 60.917 -6.886 1.00 0.00 H ATOM 532 HB2 SER A 34 -16.294 58.865 -9.100 1.00 0.00 H ATOM 533 HB3 SER A 34 -14.740 58.989 -8.244 1.00 0.00 H ATOM 534 HG SER A 34 -14.587 61.208 -9.009 1.00 0.00 H ATOM 535 H SER A 34 -16.603 58.216 -6.571 1.00 0.00 H ATOM 536 N GLU A 35 -17.370 62.369 -7.975 1.00 13.88 N ATOM 537 CA GLU A 35 -18.372 63.260 -8.601 1.00 14.28 C ATOM 538 C GLU A 35 -18.378 63.239 -10.125 1.00 15.66 C ATOM 539 O GLU A 35 -19.361 63.428 -10.848 1.00 18.23 O ATOM 540 CB GLU A 35 -18.182 64.722 -8.197 1.00 13.60 C ATOM 541 CG GLU A 35 -18.113 65.005 -6.691 1.00 18.27 C ATOM 542 CD GLU A 35 -18.039 66.519 -6.443 1.00 21.14 C ATOM 543 OE1 GLU A 35 -16.975 67.119 -6.609 1.00 21.70 O ATOM 544 OE2 GLU A 35 -19.041 67.111 -6.053 1.00 21.30 O ATOM 545 HA GLU A 35 -19.315 62.857 -8.231 1.00 0.00 H ATOM 546 HB2 GLU A 35 -17.252 65.073 -8.645 1.00 0.00 H ATOM 547 HB3 GLU A 35 -19.017 65.291 -8.605 1.00 0.00 H ATOM 548 HG2 GLU A 35 -19.003 64.603 -6.207 1.00 0.00 H ATOM 549 HG3 GLU A 35 -17.227 64.527 -6.274 1.00 0.00 H ATOM 550 H GLU A 35 -16.548 62.794 -7.500 1.00 0.00 H ATOM 551 N THR A 36 -17.174 62.976 -10.611 1.00 16.35 N ATOM 552 CA THR A 36 -16.918 63.036 -12.049 1.00 17.47 C ATOM 553 C THR A 36 -16.718 61.701 -12.752 1.00 19.03 C ATOM 554 O THR A 36 -16.919 61.542 -13.942 1.00 19.95 O ATOM 555 CB THR A 36 -15.688 63.888 -12.302 1.00 17.76 C ATOM 556 OG1 THR A 36 -14.547 63.317 -11.661 1.00 20.79 O ATOM 557 CG2 THR A 36 -15.917 65.283 -11.754 1.00 18.51 C ATOM 558 HA THR A 36 -17.829 63.460 -12.471 1.00 0.00 H ATOM 559 HB THR A 36 -15.509 63.933 -13.376 1.00 0.00 H ATOM 560 HG1 THR A 36 -14.709 63.265 -10.686 1.00 0.00 H ATOM 561 HG23 THR A 36 -16.787 65.724 -12.240 1.00 0.00 H ATOM 562 HG21 THR A 36 -16.089 65.226 -10.679 1.00 0.00 H ATOM 563 HG22 THR A 36 -15.039 65.898 -11.950 1.00 0.00 H ATOM 564 H THR A 36 -16.402 62.724 -9.962 1.00 0.00 H ATOM 565 N THR A 37 -16.345 60.702 -11.974 1.00 19.78 N ATOM 566 CA THR A 37 -16.205 59.397 -12.612 1.00 21.97 C ATOM 567 C THR A 37 -17.196 58.431 -12.052 1.00 23.63 C ATOM 568 O THR A 37 -17.195 58.095 -10.873 1.00 25.17 O ATOM 569 CB THR A 37 -14.815 58.809 -12.433 1.00 23.15 C ATOM 570 OG1 THR A 37 -13.812 59.766 -12.826 1.00 20.99 O ATOM 571 CG2 THR A 37 -14.674 57.497 -13.205 1.00 23.26 C ATOM 572 HA THR A 37 -16.382 59.557 -13.676 1.00 0.00 H ATOM 573 HB THR A 37 -14.666 58.582 -11.377 1.00 0.00 H ATOM 574 HG1 THR A 37 -12.913 59.369 -12.704 1.00 0.00 H ATOM 575 HG23 THR A 37 -15.448 56.801 -12.881 1.00 0.00 H ATOM 576 HG21 THR A 37 -14.782 57.691 -14.272 1.00 0.00 H ATOM 577 HG22 THR A 37 -13.692 57.066 -13.011 1.00 0.00 H ATOM 578 H THR A 37 -16.161 60.838 -10.960 1.00 0.00 H ATOM 579 N LYS A 38 -18.109 58.058 -12.930 1.00 24.94 N ATOM 580 CA LYS A 38 -19.228 57.408 -12.264 1.00 26.45 C ATOM 581 C LYS A 38 -19.217 55.876 -12.210 1.00 25.12 C ATOM 582 O LYS A 38 -18.722 55.171 -13.083 1.00 25.76 O ATOM 583 CB LYS A 38 -20.515 58.169 -12.606 1.00 31.01 C ATOM 584 CG LYS A 38 -20.553 59.335 -11.585 1.00 33.73 C ATOM 585 CD LYS A 38 -21.372 60.593 -11.895 1.00 36.58 C ATOM 586 CE LYS A 38 -20.733 61.479 -12.978 1.00 38.63 C ATOM 587 NZ LYS A 38 -21.114 62.884 -12.765 1.00 36.76 N ATOM 588 HA LYS A 38 -19.122 57.503 -11.183 1.00 0.00 H ATOM 589 HB2 LYS A 38 -20.479 58.550 -13.627 1.00 0.00 H ATOM 590 HB3 LYS A 38 -21.387 57.525 -12.490 1.00 0.00 H ATOM 591 HG2 LYS A 38 -20.943 58.926 -10.653 1.00 0.00 H ATOM 592 HG3 LYS A 38 -19.523 59.658 -11.436 1.00 0.00 H ATOM 593 HD2 LYS A 38 -22.361 60.288 -12.236 1.00 0.00 H ATOM 594 HD3 LYS A 38 -21.469 61.178 -10.980 1.00 0.00 H ATOM 595 HE2 LYS A 38 -21.078 61.156 -13.960 1.00 0.00 H ATOM 596 HE3 LYS A 38 -19.648 61.387 -12.927 1.00 0.00 H ATOM 597 HZ1 LYS A 38 -22.149 62.973 -12.815 1.00 0.00 H ATOM 598 HZ2 LYS A 38 -20.783 63.193 -11.829 1.00 0.00 H ATOM 599 HZ3 LYS A 38 -20.678 63.476 -13.501 1.00 0.00 H ATOM 600 H LYS A 38 -18.038 58.208 -13.957 1.00 0.00 H ATOM 601 N GLY A 39 -19.610 55.395 -11.031 1.00 22.62 N ATOM 602 CA GLY A 39 -19.037 54.083 -10.731 1.00 19.81 C ATOM 603 C GLY A 39 -17.658 54.044 -10.057 1.00 17.86 C ATOM 604 O GLY A 39 -17.134 52.983 -9.735 1.00 18.42 O ATOM 605 HA3 GLY A 39 -18.955 53.540 -11.673 1.00 0.00 H ATOM 606 HA2 GLY A 39 -19.736 53.565 -10.074 1.00 0.00 H ATOM 607 H GLY A 39 -20.256 55.900 -10.391 1.00 0.00 H ATOM 608 N ALA A 40 -17.064 55.228 -9.829 1.00 15.13 N ATOM 609 CA ALA A 40 -15.797 55.143 -9.105 1.00 11.16 C ATOM 610 C ALA A 40 -15.739 55.834 -7.746 1.00 11.15 C ATOM 611 O ALA A 40 -16.562 56.664 -7.376 1.00 9.35 O ATOM 612 CB ALA A 40 -14.638 55.615 -9.973 1.00 12.08 C ATOM 613 HA ALA A 40 -15.709 54.080 -8.879 1.00 0.00 H ATOM 614 HB1 ALA A 40 -14.574 54.990 -10.864 1.00 0.00 H ATOM 615 HB2 ALA A 40 -14.804 56.652 -10.266 1.00 0.00 H ATOM 616 HB3 ALA A 40 -13.709 55.540 -9.408 1.00 0.00 H ATOM 617 H ALA A 40 -17.473 56.132 -10.142 1.00 0.00 H ATOM 618 N TYR A 41 -14.691 55.441 -7.005 1.00 9.84 N ATOM 619 CA TYR A 41 -14.533 56.063 -5.693 1.00 8.37 C ATOM 620 C TYR A 41 -13.339 57.027 -5.606 1.00 8.25 C ATOM 621 O TYR A 41 -12.491 57.085 -6.481 1.00 7.45 O ATOM 622 CB TYR A 41 -14.508 54.993 -4.571 1.00 6.05 C ATOM 623 CG TYR A 41 -15.757 54.122 -4.590 1.00 7.09 C ATOM 624 CD1 TYR A 41 -15.780 52.986 -5.433 1.00 6.83 C ATOM 625 CD2 TYR A 41 -16.884 54.477 -3.803 1.00 6.70 C ATOM 626 CE1 TYR A 41 -16.985 52.271 -5.579 1.00 9.86 C ATOM 627 CE2 TYR A 41 -18.090 53.760 -3.942 1.00 7.77 C ATOM 628 CZ TYR A 41 -18.135 52.681 -4.865 1.00 10.82 C ATOM 629 OH TYR A 41 -19.310 51.983 -5.095 1.00 9.03 O ATOM 630 HA TYR A 41 -15.412 56.690 -5.541 1.00 0.00 H ATOM 631 HB3 TYR A 41 -14.443 55.495 -3.606 1.00 0.00 H ATOM 632 HB2 TYR A 41 -13.633 54.358 -4.709 1.00 0.00 H ATOM 633 HD2 TYR A 41 -16.817 55.302 -3.093 1.00 0.00 H ATOM 634 HE2 TYR A 41 -18.968 54.028 -3.354 1.00 0.00 H ATOM 635 HE1 TYR A 41 -17.031 51.405 -6.240 1.00 0.00 H ATOM 636 HD1 TYR A 41 -14.880 52.669 -5.961 1.00 0.00 H ATOM 637 HH TYR A 41 -19.145 51.273 -5.765 1.00 0.00 H ATOM 638 H TYR A 41 -14.021 54.725 -7.350 1.00 0.00 H ATOM 639 N CYS A 42 -13.291 57.792 -4.503 1.00 8.93 N ATOM 640 CA CYS A 42 -12.104 58.603 -4.180 1.00 9.28 C ATOM 641 C CYS A 42 -11.629 58.505 -2.753 1.00 8.75 C ATOM 642 O CYS A 42 -12.386 58.639 -1.802 1.00 8.18 O ATOM 643 CB CYS A 42 -12.282 60.117 -4.308 1.00 10.32 C ATOM 644 SG CYS A 42 -12.240 60.652 -6.011 1.00 16.67 S ATOM 645 HA CYS A 42 -11.416 58.178 -4.911 1.00 0.00 H ATOM 646 HB2 CYS A 42 -11.480 60.614 -3.763 1.00 0.00 H ATOM 647 HB3 CYS A 42 -13.242 60.397 -3.874 1.00 0.00 H ATOM 648 HG CYS A 42 -12.405 62.021 -6.066 1.00 0.00 H ATOM 649 H CYS A 42 -14.110 57.812 -3.863 1.00 0.00 H ATOM 650 N LEU A 43 -10.309 58.378 -2.685 1.00 6.51 N ATOM 651 CA LEU A 43 -9.571 58.601 -1.444 1.00 5.86 C ATOM 652 C LEU A 43 -9.077 60.073 -1.320 1.00 8.50 C ATOM 653 O LEU A 43 -8.202 60.551 -2.034 1.00 10.25 O ATOM 654 CB LEU A 43 -8.420 57.579 -1.470 1.00 6.64 C ATOM 655 CG LEU A 43 -7.880 56.951 -0.196 1.00 6.62 C ATOM 656 CD1 LEU A 43 -6.365 56.813 -0.269 1.00 7.15 C ATOM 657 CD2 LEU A 43 -8.367 57.599 1.089 1.00 7.48 C ATOM 658 HA LEU A 43 -10.197 58.457 -0.564 1.00 0.00 H ATOM 659 HB2 LEU A 43 -8.756 56.755 -2.100 1.00 0.00 H ATOM 660 HB3 LEU A 43 -7.577 58.079 -1.947 1.00 0.00 H ATOM 661 HG LEU A 43 -8.306 55.949 -0.142 1.00 0.00 H ATOM 662 HD21 LEU A 43 -8.067 58.647 1.102 1.00 0.00 H ATOM 663 HD22 LEU A 43 -9.454 57.530 1.140 1.00 0.00 H ATOM 664 HD23 LEU A 43 -7.929 57.083 1.943 1.00 0.00 H ATOM 665 HD11 LEU A 43 -6.099 56.180 -1.116 1.00 0.00 H ATOM 666 HD12 LEU A 43 -5.917 57.799 -0.396 1.00 0.00 H ATOM 667 HD13 LEU A 43 -5.998 56.361 0.653 1.00 0.00 H ATOM 668 H LEU A 43 -9.784 58.111 -3.542 1.00 0.00 H ATOM 669 N SER A 44 -9.708 60.793 -0.393 1.00 8.72 N ATOM 670 CA SER A 44 -9.255 62.161 -0.102 1.00 8.75 C ATOM 671 C SER A 44 -8.396 62.258 1.158 1.00 9.20 C ATOM 672 O SER A 44 -8.830 61.890 2.241 1.00 10.91 O ATOM 673 CB SER A 44 -10.442 63.115 0.057 1.00 9.11 C ATOM 674 OG SER A 44 -11.326 63.071 -1.081 1.00 8.86 O ATOM 675 HA SER A 44 -8.644 62.447 -0.958 1.00 0.00 H ATOM 676 HB2 SER A 44 -10.064 64.131 0.171 1.00 0.00 H ATOM 677 HB3 SER A 44 -11.002 62.835 0.949 1.00 0.00 H ATOM 678 HG SER A 44 -10.827 63.331 -1.895 1.00 0.00 H ATOM 679 H SER A 44 -10.516 60.389 0.122 1.00 0.00 H ATOM 680 N VAL A 45 -7.154 62.738 0.959 1.00 8.61 N ATOM 681 CA VAL A 45 -6.061 62.704 1.965 1.00 8.87 C ATOM 682 C VAL A 45 -5.401 64.055 2.296 1.00 10.05 C ATOM 683 O VAL A 45 -4.905 64.744 1.407 1.00 12.05 O ATOM 684 CB VAL A 45 -4.916 61.753 1.533 1.00 7.46 C ATOM 685 CG1 VAL A 45 -3.990 61.425 2.723 1.00 5.30 C ATOM 686 CG2 VAL A 45 -5.432 60.440 0.925 1.00 7.41 C ATOM 687 HA VAL A 45 -6.582 62.358 2.858 1.00 0.00 H ATOM 688 HB VAL A 45 -4.358 62.287 0.764 1.00 0.00 H ATOM 689 HG11 VAL A 45 -3.553 62.347 3.107 1.00 0.00 H ATOM 690 HG12 VAL A 45 -4.569 60.941 3.510 1.00 0.00 H ATOM 691 HG13 VAL A 45 -3.196 60.756 2.390 1.00 0.00 H ATOM 692 HG21 VAL A 45 -6.042 59.916 1.660 1.00 0.00 H ATOM 693 HG22 VAL A 45 -6.033 60.661 0.043 1.00 0.00 H ATOM 694 HG23 VAL A 45 -4.585 59.815 0.642 1.00 0.00 H ATOM 695 H VAL A 45 -6.944 63.164 0.034 1.00 0.00 H ATOM 696 N SER A 46 -5.386 64.410 3.600 1.00 8.85 N ATOM 697 CA SER A 46 -4.592 65.584 3.967 1.00 7.98 C ATOM 698 C SER A 46 -3.066 65.410 3.999 1.00 9.03 C ATOM 699 O SER A 46 -2.450 64.433 4.420 1.00 6.94 O ATOM 700 CB SER A 46 -5.029 66.211 5.281 1.00 8.15 C ATOM 701 OG SER A 46 -4.613 65.397 6.385 1.00 11.30 O ATOM 702 HA SER A 46 -4.808 66.247 3.130 1.00 0.00 H ATOM 703 HB2 SER A 46 -6.115 66.304 5.292 1.00 0.00 H ATOM 704 HB3 SER A 46 -4.580 67.200 5.374 1.00 0.00 H ATOM 705 HG SER A 46 -3.627 65.314 6.379 1.00 0.00 H ATOM 706 H SER A 46 -5.917 63.871 4.314 1.00 0.00 H ATOM 707 N ASP A 47 -2.487 66.465 3.457 1.00 9.98 N ATOM 708 CA ASP A 47 -1.056 66.528 3.277 1.00 11.76 C ATOM 709 C ASP A 47 -0.525 67.941 3.536 1.00 12.17 C ATOM 710 O ASP A 47 -1.249 68.886 3.796 1.00 14.01 O ATOM 711 CB ASP A 47 -0.744 65.972 1.875 1.00 13.23 C ATOM 712 CG ASP A 47 0.757 65.697 1.697 1.00 15.65 C ATOM 713 OD1 ASP A 47 1.419 65.153 2.590 1.00 12.51 O ATOM 714 OD2 ASP A 47 1.278 66.068 0.659 1.00 18.25 O ATOM 715 HA ASP A 47 -0.532 65.913 4.009 1.00 0.00 H ATOM 716 HB2 ASP A 47 -1.294 65.042 1.733 1.00 0.00 H ATOM 717 HB3 ASP A 47 -1.062 66.698 1.127 1.00 0.00 H ATOM 718 H ASP A 47 -3.074 67.268 3.153 1.00 0.00 H ATOM 719 N PHE A 48 0.783 68.058 3.456 1.00 13.81 N ATOM 720 CA PHE A 48 1.485 69.316 3.697 1.00 15.50 C ATOM 721 C PHE A 48 2.759 69.390 2.868 1.00 16.63 C ATOM 722 O PHE A 48 3.645 68.543 2.955 1.00 17.11 O ATOM 723 CB PHE A 48 1.814 69.432 5.200 1.00 15.08 C ATOM 724 CG PHE A 48 2.324 70.801 5.623 1.00 14.06 C ATOM 725 CD1 PHE A 48 3.689 71.131 5.492 1.00 13.04 C ATOM 726 CD2 PHE A 48 1.415 71.721 6.183 1.00 13.60 C ATOM 727 CE1 PHE A 48 4.155 72.380 5.950 1.00 14.20 C ATOM 728 CE2 PHE A 48 1.875 72.970 6.654 1.00 12.23 C ATOM 729 CZ PHE A 48 3.245 73.285 6.545 1.00 13.24 C ATOM 730 HA PHE A 48 0.844 70.146 3.400 1.00 0.00 H ATOM 731 HB2 PHE A 48 0.908 69.214 5.766 1.00 0.00 H ATOM 732 HB3 PHE A 48 2.578 68.693 5.441 1.00 0.00 H ATOM 733 HD2 PHE A 48 0.357 71.468 6.252 1.00 0.00 H ATOM 734 HE2 PHE A 48 1.179 73.683 7.097 1.00 0.00 H ATOM 735 HZ PHE A 48 3.608 74.240 6.925 1.00 0.00 H ATOM 736 HE1 PHE A 48 5.207 72.646 5.847 1.00 0.00 H ATOM 737 HD1 PHE A 48 4.382 70.422 5.038 1.00 0.00 H ATOM 738 H PHE A 48 1.343 67.217 3.210 1.00 0.00 H ATOM 739 N ASP A 49 2.845 70.472 2.120 1.00 19.54 N ATOM 740 CA ASP A 49 4.191 70.816 1.666 1.00 22.62 C ATOM 741 C ASP A 49 4.569 72.232 2.064 1.00 23.47 C ATOM 742 O ASP A 49 3.731 73.019 2.489 1.00 24.29 O ATOM 743 CB ASP A 49 4.388 70.487 0.178 1.00 24.96 C ATOM 744 CG ASP A 49 3.424 71.269 -0.685 1.00 28.04 C ATOM 745 OD1 ASP A 49 3.615 72.477 -0.824 1.00 31.20 O ATOM 746 OD2 ASP A 49 2.478 70.677 -1.204 1.00 31.74 O ATOM 747 HA ASP A 49 4.907 70.180 2.187 1.00 0.00 H ATOM 748 HB2 ASP A 49 5.409 70.738 -0.110 1.00 0.00 H ATOM 749 HB3 ASP A 49 4.220 69.421 0.024 1.00 0.00 H ATOM 750 H ASP A 49 2.012 71.042 1.870 1.00 0.00 H ATOM 751 N ASN A 50 5.861 72.568 1.990 1.00 26.24 N ATOM 752 CA ASN A 50 5.996 73.982 2.364 1.00 29.83 C ATOM 753 C ASN A 50 5.948 75.063 1.265 1.00 30.73 C ATOM 754 O ASN A 50 6.256 76.223 1.506 1.00 32.02 O ATOM 755 CB ASN A 50 7.002 74.214 3.521 1.00 31.97 C ATOM 756 CG ASN A 50 8.338 74.721 3.036 1.00 35.58 C ATOM 757 OD1 ASN A 50 9.016 74.115 2.220 1.00 38.43 O ATOM 758 ND2 ASN A 50 8.693 75.880 3.558 1.00 34.55 N ATOM 759 HA ASN A 50 5.010 74.192 2.779 1.00 0.00 H ATOM 760 HB2 ASN A 50 6.580 74.946 4.210 1.00 0.00 H ATOM 761 HB3 ASN A 50 7.156 73.271 4.045 1.00 0.00 H ATOM 762 HD22 ASN A 50 8.074 76.350 4.249 1.00 0.00 H ATOM 763 HD21 ASN A 50 9.591 76.323 3.278 1.00 0.00 H ATOM 764 H ASN A 50 6.639 71.935 1.714 1.00 0.00 H ATOM 765 N ALA A 51 5.495 74.651 0.065 1.00 30.32 N ATOM 766 CA ALA A 51 5.066 75.731 -0.847 1.00 29.18 C ATOM 767 C ALA A 51 3.666 76.224 -0.549 1.00 27.80 C ATOM 768 O ALA A 51 3.329 77.398 -0.576 1.00 29.08 O ATOM 769 CB ALA A 51 5.051 75.263 -2.297 1.00 30.79 C ATOM 770 HA ALA A 51 5.790 76.531 -0.693 1.00 0.00 H ATOM 771 HB1 ALA A 51 6.053 74.944 -2.585 1.00 0.00 H ATOM 772 HB2 ALA A 51 4.359 74.427 -2.401 1.00 0.00 H ATOM 773 HB3 ALA A 51 4.731 76.084 -2.939 1.00 0.00 H ATOM 774 H ALA A 51 5.451 73.646 -0.200 1.00 0.00 H ATOM 775 N LYS A 52 2.841 75.235 -0.239 1.00 26.08 N ATOM 776 CA LYS A 52 1.425 75.547 -0.067 1.00 24.41 C ATOM 777 C LYS A 52 0.833 75.384 1.336 1.00 19.54 C ATOM 778 O LYS A 52 -0.318 75.706 1.604 1.00 19.70 O ATOM 779 CB LYS A 52 0.677 74.665 -1.049 1.00 29.18 C ATOM 780 CG LYS A 52 1.147 74.814 -2.510 1.00 33.72 C ATOM 781 CD LYS A 52 0.562 73.668 -3.331 1.00 37.81 C ATOM 782 CE LYS A 52 -0.937 73.525 -3.002 1.00 40.17 C ATOM 783 NZ LYS A 52 -1.558 72.441 -3.773 1.00 41.56 N ATOM 784 HA LYS A 52 1.318 76.617 -0.246 1.00 0.00 H ATOM 785 HB2 LYS A 52 0.813 73.626 -0.749 1.00 0.00 H ATOM 786 HB3 LYS A 52 -0.382 74.920 -1.002 1.00 0.00 H ATOM 787 HG2 LYS A 52 0.802 75.767 -2.911 1.00 0.00 H ATOM 788 HG3 LYS A 52 2.236 74.777 -2.551 1.00 0.00 H ATOM 789 HD2 LYS A 52 0.684 73.880 -4.393 1.00 0.00 H ATOM 790 HD3 LYS A 52 1.080 72.741 -3.085 1.00 0.00 H ATOM 791 HE2 LYS A 52 -1.442 74.462 -3.238 1.00 0.00 H ATOM 792 HE3 LYS A 52 -1.047 73.312 -1.939 1.00 0.00 H ATOM 793 HZ1 LYS A 52 -1.462 72.641 -4.789 1.00 0.00 H ATOM 794 HZ2 LYS A 52 -1.085 71.543 -3.549 1.00 0.00 H ATOM 795 HZ3 LYS A 52 -2.566 72.375 -3.525 1.00 0.00 H ATOM 796 H LYS A 52 3.192 74.263 -0.121 1.00 0.00 H ATOM 797 N GLY A 53 1.654 74.815 2.215 1.00 15.57 N ATOM 798 CA GLY A 53 1.084 74.350 3.473 1.00 12.68 C ATOM 799 C GLY A 53 0.174 73.109 3.403 1.00 11.03 C ATOM 800 O GLY A 53 0.293 72.203 2.583 1.00 7.90 O ATOM 801 HA3 GLY A 53 0.497 75.167 3.892 1.00 0.00 H ATOM 802 HA2 GLY A 53 1.910 74.117 4.144 1.00 0.00 H ATOM 803 H GLY A 53 2.668 74.706 2.011 1.00 0.00 H ATOM 804 N LEU A 54 -0.811 73.169 4.317 1.00 10.61 N ATOM 805 CA LEU A 54 -1.971 72.267 4.291 1.00 11.89 C ATOM 806 C LEU A 54 -2.635 72.188 2.912 1.00 12.66 C ATOM 807 O LEU A 54 -3.037 73.189 2.308 1.00 13.30 O ATOM 808 CB LEU A 54 -3.019 72.759 5.323 1.00 13.09 C ATOM 809 CG LEU A 54 -3.240 72.095 6.687 1.00 11.01 C ATOM 810 CD1 LEU A 54 -2.091 71.235 7.187 1.00 11.29 C ATOM 811 CD2 LEU A 54 -3.642 73.142 7.725 1.00 11.66 C ATOM 812 HA LEU A 54 -1.608 71.269 4.537 1.00 0.00 H ATOM 813 HB2 LEU A 54 -2.764 73.797 5.535 1.00 0.00 H ATOM 814 HB3 LEU A 54 -3.981 72.719 4.813 1.00 0.00 H ATOM 815 HG LEU A 54 -4.056 71.388 6.535 1.00 0.00 H ATOM 816 HD21 LEU A 54 -2.851 73.886 7.814 1.00 0.00 H ATOM 817 HD22 LEU A 54 -4.566 73.628 7.410 1.00 0.00 H ATOM 818 HD23 LEU A 54 -3.796 72.656 8.689 1.00 0.00 H ATOM 819 HD11 LEU A 54 -1.907 70.429 6.477 1.00 0.00 H ATOM 820 HD12 LEU A 54 -1.195 71.848 7.283 1.00 0.00 H ATOM 821 HD13 LEU A 54 -2.350 70.813 8.158 1.00 0.00 H ATOM 822 H LEU A 54 -0.749 73.882 5.072 1.00 0.00 H ATOM 823 N ASN A 55 -2.723 70.949 2.431 1.00 11.33 N ATOM 824 CA ASN A 55 -3.454 70.747 1.178 1.00 10.68 C ATOM 825 C ASN A 55 -4.196 69.411 1.158 1.00 10.90 C ATOM 826 O ASN A 55 -3.903 68.565 1.988 1.00 12.82 O ATOM 827 CB ASN A 55 -2.552 71.016 -0.049 1.00 10.49 C ATOM 828 CG ASN A 55 -1.353 70.066 -0.175 1.00 10.95 C ATOM 829 OD1 ASN A 55 -1.384 69.103 -0.925 1.00 13.24 O ATOM 830 ND2 ASN A 55 -0.235 70.446 0.430 1.00 6.46 N ATOM 831 HA ASN A 55 -4.246 71.493 1.113 1.00 0.00 H ATOM 832 HB2 ASN A 55 -3.161 70.918 -0.948 1.00 0.00 H ATOM 833 HB3 ASN A 55 -2.173 72.036 0.023 1.00 0.00 H ATOM 834 HD22 ASN A 55 -0.241 71.271 1.063 1.00 0.00 H ATOM 835 HD21 ASN A 55 0.647 69.919 0.271 1.00 0.00 H ATOM 836 H ASN A 55 -2.285 70.149 2.930 1.00 0.00 H ATOM 837 N VAL A 56 -5.145 69.230 0.220 1.00 8.67 N ATOM 838 CA VAL A 56 -5.565 67.840 0.045 1.00 7.10 C ATOM 839 C VAL A 56 -5.306 67.169 -1.335 1.00 7.84 C ATOM 840 O VAL A 56 -5.387 67.732 -2.422 1.00 4.15 O ATOM 841 CB VAL A 56 -6.946 67.509 0.686 1.00 7.71 C ATOM 842 CG1 VAL A 56 -7.398 68.570 1.674 1.00 6.03 C ATOM 843 CG2 VAL A 56 -8.051 67.069 -0.282 1.00 7.77 C ATOM 844 HA VAL A 56 -4.826 67.316 0.652 1.00 0.00 H ATOM 845 HB VAL A 56 -6.754 66.600 1.257 1.00 0.00 H ATOM 846 HG11 VAL A 56 -6.666 68.652 2.477 1.00 0.00 H ATOM 847 HG12 VAL A 56 -7.486 69.528 1.161 1.00 0.00 H ATOM 848 HG13 VAL A 56 -8.365 68.289 2.090 1.00 0.00 H ATOM 849 HG21 VAL A 56 -8.236 67.863 -1.005 1.00 0.00 H ATOM 850 HG22 VAL A 56 -7.736 66.166 -0.805 1.00 0.00 H ATOM 851 HG23 VAL A 56 -8.964 66.866 0.278 1.00 0.00 H ATOM 852 H VAL A 56 -5.546 70.014 -0.334 1.00 0.00 H ATOM 853 N LYS A 57 -4.893 65.903 -1.206 1.00 8.86 N ATOM 854 CA LYS A 57 -4.740 65.091 -2.411 1.00 9.04 C ATOM 855 C LYS A 57 -5.968 64.178 -2.617 1.00 8.52 C ATOM 856 O LYS A 57 -6.554 63.638 -1.685 1.00 6.56 O ATOM 857 CB LYS A 57 -3.448 64.263 -2.330 1.00 9.88 C ATOM 858 CG LYS A 57 -2.135 64.950 -1.879 1.00 11.73 C ATOM 859 CD LYS A 57 -1.415 65.813 -2.919 1.00 11.73 C ATOM 860 CE LYS A 57 0.070 66.211 -2.652 1.00 16.03 C ATOM 861 NZ LYS A 57 0.323 67.153 -1.537 1.00 13.15 N ATOM 862 HA LYS A 57 -4.671 65.756 -3.272 1.00 0.00 H ATOM 863 HB2 LYS A 57 -3.636 63.447 -1.632 1.00 0.00 H ATOM 864 HB3 LYS A 57 -3.268 63.855 -3.325 1.00 0.00 H ATOM 865 HG2 LYS A 57 -2.372 65.588 -1.028 1.00 0.00 H ATOM 866 HG3 LYS A 57 -1.444 64.168 -1.564 1.00 0.00 H ATOM 867 HD2 LYS A 57 -1.438 65.268 -3.863 1.00 0.00 H ATOM 868 HD3 LYS A 57 -1.984 66.737 -3.021 1.00 0.00 H ATOM 869 HE2 LYS A 57 0.457 66.667 -3.563 1.00 0.00 H ATOM 870 HE3 LYS A 57 0.623 65.296 -2.442 1.00 0.00 H ATOM 871 HZ1 LYS A 57 -0.178 68.046 -1.719 1.00 0.00 H ATOM 872 HZ2 LYS A 57 -0.020 66.736 -0.648 1.00 0.00 H ATOM 873 HZ3 LYS A 57 1.344 67.336 -1.464 1.00 0.00 H ATOM 874 H LYS A 57 -4.685 65.505 -0.268 1.00 0.00 H ATOM 875 N HIS A 58 -6.370 64.047 -3.885 1.00 7.53 N ATOM 876 CA HIS A 58 -7.401 63.028 -4.129 1.00 6.58 C ATOM 877 C HIS A 58 -6.976 61.929 -5.106 1.00 6.20 C ATOM 878 O HIS A 58 -6.429 62.162 -6.180 1.00 5.52 O ATOM 879 CB HIS A 58 -8.712 63.578 -4.666 1.00 8.18 C ATOM 880 CG HIS A 58 -9.205 64.820 -3.973 1.00 10.33 C ATOM 881 ND1 HIS A 58 -10.152 64.814 -3.010 1.00 10.44 N ATOM 882 CD2 HIS A 58 -8.857 66.145 -4.258 1.00 8.60 C ATOM 883 CE1 HIS A 58 -10.410 66.122 -2.689 1.00 8.58 C ATOM 884 NE2 HIS A 58 -9.615 66.924 -3.457 1.00 7.82 N ATOM 885 HA HIS A 58 -7.542 62.619 -3.128 1.00 0.00 H ATOM 886 HB2 HIS A 58 -8.576 63.810 -5.722 1.00 0.00 H ATOM 887 HB3 HIS A 58 -9.473 62.805 -4.560 1.00 0.00 H ATOM 888 HD2 HIS A 58 -8.118 66.482 -4.985 1.00 0.00 H ATOM 889 HE1 HIS A 58 -11.129 66.464 -1.945 1.00 0.00 H ATOM 890 H HIS A 58 -5.978 64.630 -4.652 1.00 0.00 H ATOM 891 N TYR A 59 -7.256 60.705 -4.689 1.00 5.38 N ATOM 892 CA TYR A 59 -6.877 59.562 -5.516 1.00 6.24 C ATOM 893 C TYR A 59 -8.087 58.823 -6.080 1.00 8.17 C ATOM 894 O TYR A 59 -8.893 58.252 -5.349 1.00 8.45 O ATOM 895 CB TYR A 59 -6.012 58.562 -4.708 1.00 6.25 C ATOM 896 CG TYR A 59 -4.750 59.197 -4.167 1.00 5.55 C ATOM 897 CD1 TYR A 59 -4.796 59.962 -2.975 1.00 6.49 C ATOM 898 CD2 TYR A 59 -3.563 59.023 -4.894 1.00 5.93 C ATOM 899 CE1 TYR A 59 -3.644 60.625 -2.531 1.00 3.92 C ATOM 900 CE2 TYR A 59 -2.402 59.670 -4.438 1.00 7.83 C ATOM 901 CZ TYR A 59 -2.455 60.458 -3.271 1.00 6.51 C ATOM 902 OH TYR A 59 -1.295 61.065 -2.847 1.00 7.11 O ATOM 903 HA TYR A 59 -6.303 59.965 -6.350 1.00 0.00 H ATOM 904 HB3 TYR A 59 -5.736 57.732 -5.359 1.00 0.00 H ATOM 905 HB2 TYR A 59 -6.601 58.185 -3.872 1.00 0.00 H ATOM 906 HD2 TYR A 59 -3.542 58.402 -5.790 1.00 0.00 H ATOM 907 HE2 TYR A 59 -1.465 59.563 -4.984 1.00 0.00 H ATOM 908 HE1 TYR A 59 -3.666 61.252 -1.639 1.00 0.00 H ATOM 909 HD1 TYR A 59 -5.723 60.034 -2.406 1.00 0.00 H ATOM 910 HH TYR A 59 -1.477 61.582 -2.023 1.00 0.00 H ATOM 911 H TYR A 59 -7.741 60.558 -3.781 1.00 0.00 H ATOM 912 N LYS A 60 -8.192 58.833 -7.411 1.00 9.76 N ATOM 913 CA LYS A 60 -9.181 57.904 -7.961 1.00 9.54 C ATOM 914 C LYS A 60 -8.995 56.408 -7.671 1.00 9.02 C ATOM 915 O LYS A 60 -7.976 55.776 -7.931 1.00 6.46 O ATOM 916 CB LYS A 60 -9.456 58.188 -9.440 1.00 11.43 C ATOM 917 CG LYS A 60 -10.967 58.069 -9.702 1.00 14.46 C ATOM 918 CD LYS A 60 -11.562 59.011 -10.758 1.00 15.24 C ATOM 919 CE LYS A 60 -11.285 60.501 -10.508 1.00 14.53 C ATOM 920 NZ LYS A 60 -12.291 61.383 -11.139 1.00 13.24 N ATOM 921 HA LYS A 60 -10.075 58.128 -7.379 1.00 0.00 H ATOM 922 HB2 LYS A 60 -9.120 59.195 -9.687 1.00 0.00 H ATOM 923 HB3 LYS A 60 -8.920 57.466 -10.057 1.00 0.00 H ATOM 924 HG2 LYS A 60 -11.167 57.046 -10.022 1.00 0.00 H ATOM 925 HG3 LYS A 60 -11.482 58.261 -8.761 1.00 0.00 H ATOM 926 HD2 LYS A 60 -11.143 58.744 -11.728 1.00 0.00 H ATOM 927 HD3 LYS A 60 -12.642 58.863 -10.777 1.00 0.00 H ATOM 928 HE2 LYS A 60 -10.303 60.746 -10.913 1.00 0.00 H ATOM 929 HE3 LYS A 60 -11.289 60.681 -9.433 1.00 0.00 H ATOM 930 HZ1 LYS A 60 -12.291 61.227 -12.167 1.00 0.00 H ATOM 931 HZ2 LYS A 60 -13.232 61.165 -10.754 1.00 0.00 H ATOM 932 HZ3 LYS A 60 -12.055 62.376 -10.938 1.00 0.00 H ATOM 933 H LYS A 60 -7.614 59.454 -8.012 1.00 0.00 H ATOM 934 N ILE A 61 -10.080 55.902 -7.097 1.00 8.86 N ATOM 935 CA ILE A 61 -10.258 54.468 -6.995 1.00 9.58 C ATOM 936 C ILE A 61 -11.164 53.905 -8.091 1.00 12.04 C ATOM 937 O ILE A 61 -12.348 54.191 -8.270 1.00 10.62 O ATOM 938 CB ILE A 61 -10.741 54.086 -5.599 1.00 8.89 C ATOM 939 CG1 ILE A 61 -9.744 54.626 -4.566 1.00 4.13 C ATOM 940 CG2 ILE A 61 -10.920 52.554 -5.481 1.00 7.27 C ATOM 941 CD1 ILE A 61 -10.367 54.661 -3.179 1.00 3.09 C ATOM 942 HA ILE A 61 -9.283 54.007 -7.154 1.00 0.00 H ATOM 943 HB ILE A 61 -11.718 54.531 -5.409 1.00 0.00 H ATOM 944 HG12 ILE A 61 -8.865 53.982 -4.547 1.00 0.00 H ATOM 945 HG13 ILE A 61 -9.447 55.636 -4.850 1.00 0.00 H ATOM 946 HD11 ILE A 61 -11.244 55.308 -3.192 1.00 0.00 H ATOM 947 HD12 ILE A 61 -10.662 53.653 -2.889 1.00 0.00 H ATOM 948 HD13 ILE A 61 -9.640 55.048 -2.465 1.00 0.00 H ATOM 949 HG21 ILE A 61 -11.655 52.218 -6.212 1.00 0.00 H ATOM 950 HG22 ILE A 61 -9.966 52.062 -5.671 1.00 0.00 H ATOM 951 HG23 ILE A 61 -11.265 52.306 -4.477 1.00 0.00 H ATOM 952 H ILE A 61 -10.808 56.540 -6.718 1.00 0.00 H ATOM 953 N ARG A 62 -10.487 53.046 -8.847 1.00 15.72 N ATOM 954 CA ARG A 62 -11.201 52.255 -9.838 1.00 17.79 C ATOM 955 C ARG A 62 -11.368 50.801 -9.484 1.00 17.84 C ATOM 956 O ARG A 62 -10.796 50.244 -8.558 1.00 18.94 O ATOM 957 CB ARG A 62 -10.544 52.414 -11.205 1.00 21.08 C ATOM 958 CG ARG A 62 -10.987 53.738 -11.817 1.00 24.84 C ATOM 959 CD ARG A 62 -10.261 54.044 -13.115 1.00 30.06 C ATOM 960 NE ARG A 62 -9.223 55.048 -12.910 1.00 31.69 N ATOM 961 CZ ARG A 62 -9.337 56.208 -13.549 1.00 34.46 C ATOM 962 NH1 ARG A 62 -10.379 56.487 -14.297 1.00 35.56 N ATOM 963 NH2 ARG A 62 -8.378 57.083 -13.424 1.00 34.21 N ATOM 964 HA ARG A 62 -12.216 52.653 -9.863 1.00 0.00 H ATOM 965 HB2 ARG A 62 -9.460 52.407 -11.093 1.00 0.00 H ATOM 966 HB3 ARG A 62 -10.846 51.592 -11.854 1.00 0.00 H ATOM 967 HG2 ARG A 62 -12.058 53.692 -12.016 1.00 0.00 H ATOM 968 HG3 ARG A 62 -10.786 54.538 -11.105 1.00 0.00 H ATOM 969 HD2 ARG A 62 -10.979 54.417 -13.846 1.00 0.00 H ATOM 970 HD3 ARG A 62 -9.803 53.129 -13.492 1.00 0.00 H ATOM 971 HE ARG A 62 -8.416 54.861 -12.281 1.00 0.00 H ATOM 972 HH12 ARG A 62 -10.439 57.404 -14.784 1.00 0.00 H ATOM 973 HH11 ARG A 62 -11.145 55.791 -14.402 1.00 0.00 H ATOM 974 HH22 ARG A 62 -8.442 57.998 -13.913 1.00 0.00 H ATOM 975 HH21 ARG A 62 -7.549 56.865 -12.835 1.00 0.00 H ATOM 976 H ARG A 62 -9.459 52.941 -8.731 1.00 0.00 H ATOM 977 N LYS A 63 -12.211 50.206 -10.289 1.00 18.73 N ATOM 978 CA LYS A 63 -12.468 48.804 -10.063 1.00 19.74 C ATOM 979 C LYS A 63 -12.573 48.053 -11.367 1.00 20.23 C ATOM 980 O LYS A 63 -13.479 48.266 -12.161 1.00 19.10 O ATOM 981 CB LYS A 63 -13.757 48.612 -9.256 1.00 20.67 C ATOM 982 CG LYS A 63 -13.840 47.135 -8.842 1.00 23.49 C ATOM 983 CD LYS A 63 -15.250 46.658 -8.509 1.00 28.46 C ATOM 984 CE LYS A 63 -15.352 45.139 -8.363 1.00 28.79 C ATOM 985 NZ LYS A 63 -14.591 44.745 -7.179 1.00 27.96 N ATOM 986 HA LYS A 63 -11.628 48.404 -9.496 1.00 0.00 H ATOM 987 HB2 LYS A 63 -13.737 49.245 -8.369 1.00 0.00 H ATOM 988 HB3 LYS A 63 -14.620 48.874 -9.868 1.00 0.00 H ATOM 989 HG2 LYS A 63 -13.458 46.528 -9.663 1.00 0.00 H ATOM 990 HG3 LYS A 63 -13.213 46.990 -7.962 1.00 0.00 H ATOM 991 HD2 LYS A 63 -15.559 47.118 -7.571 1.00 0.00 H ATOM 992 HD3 LYS A 63 -15.921 46.976 -9.307 1.00 0.00 H ATOM 993 HE2 LYS A 63 -14.938 44.654 -9.247 1.00 0.00 H ATOM 994 HE3 LYS A 63 -16.396 44.848 -8.246 1.00 0.00 H ATOM 995 HZ1 LYS A 63 -13.597 45.028 -7.297 1.00 0.00 H ATOM 996 HZ2 LYS A 63 -14.989 45.214 -6.340 1.00 0.00 H ATOM 997 HZ3 LYS A 63 -14.647 43.713 -7.060 1.00 0.00 H ATOM 998 H LYS A 63 -12.677 50.723 -11.061 1.00 0.00 H ATOM 999 N LEU A 64 -11.616 47.146 -11.554 1.00 22.95 N ATOM 1000 CA LEU A 64 -11.805 46.232 -12.691 1.00 24.86 C ATOM 1001 C LEU A 64 -13.058 45.385 -12.627 1.00 26.46 C ATOM 1002 O LEU A 64 -13.456 44.871 -11.586 1.00 26.42 O ATOM 1003 CB LEU A 64 -10.647 45.264 -12.804 1.00 24.15 C ATOM 1004 CG LEU A 64 -9.339 45.963 -13.056 1.00 24.29 C ATOM 1005 CD1 LEU A 64 -8.191 45.065 -12.638 1.00 26.78 C ATOM 1006 CD2 LEU A 64 -9.200 46.406 -14.506 1.00 22.31 C ATOM 1007 HA LEU A 64 -11.881 46.901 -13.548 1.00 0.00 H ATOM 1008 HB2 LEU A 64 -10.570 44.700 -11.874 1.00 0.00 H ATOM 1009 HB3 LEU A 64 -10.843 44.578 -13.628 1.00 0.00 H ATOM 1010 HG LEU A 64 -9.314 46.870 -12.453 1.00 0.00 H ATOM 1011 HD21 LEU A 64 -9.252 45.534 -15.158 1.00 0.00 H ATOM 1012 HD22 LEU A 64 -10.008 47.094 -14.753 1.00 0.00 H ATOM 1013 HD23 LEU A 64 -8.241 46.906 -14.642 1.00 0.00 H ATOM 1014 HD11 LEU A 64 -8.280 44.835 -11.576 1.00 0.00 H ATOM 1015 HD12 LEU A 64 -8.225 44.141 -13.216 1.00 0.00 H ATOM 1016 HD13 LEU A 64 -7.246 45.576 -12.823 1.00 0.00 H ATOM 1017 H LEU A 64 -10.784 47.087 -10.933 1.00 0.00 H ATOM 1018 N ASP A 65 -13.644 45.226 -13.809 1.00 29.89 N ATOM 1019 CA ASP A 65 -14.954 44.579 -13.765 1.00 32.37 C ATOM 1020 C ASP A 65 -15.231 43.324 -12.949 1.00 33.88 C ATOM 1021 O ASP A 65 -16.007 43.344 -11.991 1.00 35.01 O ATOM 1022 CB ASP A 65 -15.579 44.486 -15.147 1.00 32.77 C ATOM 1023 CG ASP A 65 -16.556 45.616 -15.084 1.00 35.31 C ATOM 1024 OD1 ASP A 65 -17.534 45.494 -14.356 1.00 35.69 O ATOM 1025 OD2 ASP A 65 -16.311 46.653 -15.675 1.00 37.07 O ATOM 1026 HA ASP A 65 -15.446 45.298 -13.110 1.00 0.00 H ATOM 1027 HB2 ASP A 65 -14.840 44.637 -15.934 1.00 0.00 H ATOM 1028 HB3 ASP A 65 -16.079 43.530 -15.299 1.00 0.00 H ATOM 1029 H ASP A 65 -13.204 45.538 -14.698 1.00 0.00 H ATOM 1030 N SER A 66 -14.552 42.235 -13.320 1.00 34.25 N ATOM 1031 CA SER A 66 -14.982 41.100 -12.483 1.00 36.54 C ATOM 1032 C SER A 66 -14.104 40.795 -11.243 1.00 35.83 C ATOM 1033 O SER A 66 -13.791 39.644 -10.932 1.00 35.60 O ATOM 1034 CB SER A 66 -15.287 39.815 -13.310 1.00 39.94 C ATOM 1035 OG SER A 66 -16.385 39.962 -14.265 1.00 42.41 O ATOM 1036 HA SER A 66 -15.921 41.457 -12.060 1.00 0.00 H ATOM 1037 HB2 SER A 66 -15.542 39.014 -12.616 1.00 0.00 H ATOM 1038 HB3 SER A 66 -14.388 39.542 -13.862 1.00 0.00 H ATOM 1039 HG SER A 66 -16.517 39.108 -14.749 1.00 0.00 H ATOM 1040 H SER A 66 -13.838 42.195 -14.075 1.00 0.00 H ATOM 1041 N GLY A 67 -13.643 41.886 -10.581 1.00 34.39 N ATOM 1042 CA GLY A 67 -12.488 41.743 -9.662 1.00 30.93 C ATOM 1043 C GLY A 67 -11.927 43.021 -9.007 1.00 28.10 C ATOM 1044 O GLY A 67 -12.683 43.781 -8.427 1.00 32.20 O ATOM 1045 HA3 GLY A 67 -11.677 41.285 -10.228 1.00 0.00 H ATOM 1046 HA2 GLY A 67 -12.793 41.073 -8.858 1.00 0.00 H ATOM 1047 H GLY A 67 -14.095 42.813 -10.717 1.00 0.00 H ATOM 1048 N GLY A 68 -10.612 43.266 -9.045 1.00 21.41 N ATOM 1049 CA GLY A 68 -10.030 44.184 -8.034 1.00 17.06 C ATOM 1050 C GLY A 68 -10.195 45.737 -7.998 1.00 15.10 C ATOM 1051 O GLY A 68 -10.168 46.457 -8.992 1.00 14.87 O ATOM 1052 HA3 GLY A 68 -8.955 44.012 -8.078 1.00 0.00 H ATOM 1053 HA2 GLY A 68 -10.414 43.834 -7.076 1.00 0.00 H ATOM 1054 H GLY A 68 -10.010 42.822 -9.768 1.00 0.00 H ATOM 1055 N PHE A 69 -10.352 46.236 -6.755 1.00 12.45 N ATOM 1056 CA PHE A 69 -10.222 47.684 -6.471 1.00 11.02 C ATOM 1057 C PHE A 69 -8.760 48.203 -6.450 1.00 10.83 C ATOM 1058 O PHE A 69 -7.869 47.571 -5.901 1.00 11.62 O ATOM 1059 CB PHE A 69 -10.848 48.073 -5.109 1.00 8.90 C ATOM 1060 CG PHE A 69 -12.359 48.147 -5.039 1.00 9.68 C ATOM 1061 CD1 PHE A 69 -13.043 49.229 -5.634 1.00 9.76 C ATOM 1062 CD2 PHE A 69 -13.066 47.156 -4.324 1.00 11.61 C ATOM 1063 CE1 PHE A 69 -14.440 49.345 -5.477 1.00 9.36 C ATOM 1064 CE2 PHE A 69 -14.463 47.264 -4.175 1.00 10.63 C ATOM 1065 CZ PHE A 69 -15.134 48.368 -4.735 1.00 9.53 C ATOM 1066 HA PHE A 69 -10.755 48.148 -7.301 1.00 0.00 H ATOM 1067 HB2 PHE A 69 -10.521 47.337 -4.375 1.00 0.00 H ATOM 1068 HB3 PHE A 69 -10.458 49.054 -4.837 1.00 0.00 H ATOM 1069 HD2 PHE A 69 -12.533 46.311 -3.889 1.00 0.00 H ATOM 1070 HE2 PHE A 69 -15.019 46.500 -3.631 1.00 0.00 H ATOM 1071 HZ PHE A 69 -16.210 48.469 -4.592 1.00 0.00 H ATOM 1072 HE1 PHE A 69 -14.977 50.181 -5.925 1.00 0.00 H ATOM 1073 HD1 PHE A 69 -12.494 49.972 -6.212 1.00 0.00 H ATOM 1074 H PHE A 69 -10.571 45.586 -5.973 1.00 0.00 H ATOM 1075 N TYR A 70 -8.551 49.374 -7.082 1.00 9.88 N ATOM 1076 CA TYR A 70 -7.189 49.889 -7.284 1.00 9.04 C ATOM 1077 C TYR A 70 -7.073 51.402 -7.518 1.00 9.01 C ATOM 1078 O TYR A 70 -7.873 52.019 -8.206 1.00 8.72 O ATOM 1079 CB TYR A 70 -6.446 49.126 -8.414 1.00 7.73 C ATOM 1080 CG TYR A 70 -6.917 49.479 -9.824 1.00 10.69 C ATOM 1081 CD1 TYR A 70 -6.364 50.591 -10.505 1.00 9.97 C ATOM 1082 CD2 TYR A 70 -7.922 48.692 -10.436 1.00 14.20 C ATOM 1083 CE1 TYR A 70 -6.843 50.955 -11.770 1.00 9.84 C ATOM 1084 CE2 TYR A 70 -8.428 49.063 -11.697 1.00 13.39 C ATOM 1085 CZ TYR A 70 -7.885 50.190 -12.339 1.00 12.79 C ATOM 1086 OH TYR A 70 -8.402 50.549 -13.567 1.00 13.50 O ATOM 1087 HA TYR A 70 -6.708 49.703 -6.324 1.00 0.00 H ATOM 1088 HB3 TYR A 70 -6.596 48.057 -8.261 1.00 0.00 H ATOM 1089 HB2 TYR A 70 -5.383 49.357 -8.341 1.00 0.00 H ATOM 1090 HD2 TYR A 70 -8.303 47.803 -9.934 1.00 0.00 H ATOM 1091 HE2 TYR A 70 -9.226 48.487 -12.166 1.00 0.00 H ATOM 1092 HE1 TYR A 70 -6.422 51.808 -12.302 1.00 0.00 H ATOM 1093 HD1 TYR A 70 -5.562 51.166 -10.043 1.00 0.00 H ATOM 1094 HH TYR A 70 -7.930 51.353 -13.900 1.00 0.00 H ATOM 1095 H TYR A 70 -9.364 49.921 -7.432 1.00 0.00 H ATOM 1096 N ILE A 71 -5.992 51.961 -6.972 1.00 9.09 N ATOM 1097 CA ILE A 71 -5.459 53.275 -7.404 1.00 9.32 C ATOM 1098 C ILE A 71 -4.454 53.209 -8.574 1.00 10.00 C ATOM 1099 O ILE A 71 -4.473 53.987 -9.519 1.00 12.30 O ATOM 1100 CB ILE A 71 -4.819 54.002 -6.198 1.00 8.95 C ATOM 1101 CG1 ILE A 71 -5.843 54.077 -5.069 1.00 9.18 C ATOM 1102 CG2 ILE A 71 -4.324 55.407 -6.560 1.00 9.28 C ATOM 1103 CD1 ILE A 71 -5.329 54.799 -3.819 1.00 14.51 C ATOM 1104 HA ILE A 71 -6.315 53.832 -7.784 1.00 0.00 H ATOM 1105 HB ILE A 71 -3.945 53.433 -5.881 1.00 0.00 H ATOM 1106 HG12 ILE A 71 -6.722 54.607 -5.436 1.00 0.00 H ATOM 1107 HG13 ILE A 71 -6.123 53.061 -4.790 1.00 0.00 H ATOM 1108 HD11 ILE A 71 -4.455 54.275 -3.432 1.00 0.00 H ATOM 1109 HD12 ILE A 71 -5.055 55.822 -4.078 1.00 0.00 H ATOM 1110 HD13 ILE A 71 -6.112 54.812 -3.061 1.00 0.00 H ATOM 1111 HG21 ILE A 71 -3.574 55.335 -7.348 1.00 0.00 H ATOM 1112 HG22 ILE A 71 -5.164 56.008 -6.910 1.00 0.00 H ATOM 1113 HG23 ILE A 71 -3.884 55.874 -5.679 1.00 0.00 H ATOM 1114 H ILE A 71 -5.501 51.452 -6.209 1.00 0.00 H ATOM 1115 N THR A 72 -3.564 52.221 -8.465 1.00 10.43 N ATOM 1116 CA THR A 72 -2.701 51.809 -9.571 1.00 9.80 C ATOM 1117 C THR A 72 -2.901 50.348 -9.891 1.00 10.54 C ATOM 1118 O THR A 72 -3.172 49.537 -9.016 1.00 12.98 O ATOM 1119 CB THR A 72 -1.215 52.095 -9.298 1.00 10.58 C ATOM 1120 OG1 THR A 72 -0.399 51.579 -10.345 1.00 11.51 O ATOM 1121 CG2 THR A 72 -0.667 51.617 -7.958 1.00 10.92 C ATOM 1122 HA THR A 72 -2.992 52.407 -10.434 1.00 0.00 H ATOM 1123 HB THR A 72 -1.172 53.183 -9.255 1.00 0.00 H ATOM 1124 HG1 THR A 72 0.551 51.774 -10.148 1.00 0.00 H ATOM 1125 HG23 THR A 72 -1.288 52.009 -7.152 1.00 0.00 H ATOM 1126 HG21 THR A 72 -0.679 50.527 -7.930 1.00 0.00 H ATOM 1127 HG22 THR A 72 0.356 51.974 -7.837 1.00 0.00 H ATOM 1128 H THR A 72 -3.481 51.723 -7.556 1.00 0.00 H ATOM 1129 N SER A 73 -2.836 50.017 -11.187 1.00 10.57 N ATOM 1130 CA SER A 73 -3.528 48.792 -11.607 1.00 11.70 C ATOM 1131 C SER A 73 -2.929 47.439 -11.280 1.00 13.52 C ATOM 1132 O SER A 73 -3.608 46.416 -11.193 1.00 13.71 O ATOM 1133 CB SER A 73 -3.913 48.797 -13.083 1.00 11.45 C ATOM 1134 OG SER A 73 -2.762 48.564 -13.899 1.00 15.55 O ATOM 1135 HA SER A 73 -4.394 48.870 -10.950 1.00 0.00 H ATOM 1136 HB2 SER A 73 -4.345 49.765 -13.339 1.00 0.00 H ATOM 1137 HB3 SER A 73 -4.648 48.013 -13.266 1.00 0.00 H ATOM 1138 HG SER A 73 -2.370 47.684 -13.670 1.00 0.00 H ATOM 1139 H SER A 73 -2.316 50.605 -11.869 1.00 0.00 H ATOM 1140 N ARG A 74 -1.609 47.473 -11.035 1.00 15.80 N ATOM 1141 CA ARG A 74 -1.064 46.246 -10.438 1.00 18.73 C ATOM 1142 C ARG A 74 -1.198 46.045 -8.907 1.00 20.21 C ATOM 1143 O ARG A 74 -1.072 44.937 -8.395 1.00 23.67 O ATOM 1144 CB ARG A 74 0.367 45.959 -10.917 1.00 19.42 C ATOM 1145 CG ARG A 74 0.516 45.725 -12.431 1.00 21.74 C ATOM 1146 CD ARG A 74 1.889 45.131 -12.809 1.00 23.86 C ATOM 1147 NE ARG A 74 2.170 45.216 -14.246 1.00 22.74 N ATOM 1148 CZ ARG A 74 1.801 44.271 -15.095 1.00 22.51 C ATOM 1149 NH1 ARG A 74 1.191 43.190 -14.681 1.00 23.34 N ATOM 1150 NH2 ARG A 74 2.058 44.424 -16.367 1.00 19.75 N ATOM 1151 HA ARG A 74 -1.751 45.495 -10.829 1.00 0.00 H ATOM 1152 HB2 ARG A 74 0.991 46.810 -10.644 1.00 0.00 H ATOM 1153 HB3 ARG A 74 0.723 45.068 -10.401 1.00 0.00 H ATOM 1154 HG2 ARG A 74 -0.264 45.036 -12.756 1.00 0.00 H ATOM 1155 HG3 ARG A 74 0.395 46.678 -12.945 1.00 0.00 H ATOM 1156 HD2 ARG A 74 1.909 44.083 -12.512 1.00 0.00 H ATOM 1157 HD3 ARG A 74 2.664 45.675 -12.270 1.00 0.00 H ATOM 1158 HE ARG A 74 2.677 46.048 -14.610 1.00 0.00 H ATOM 1159 HH12 ARG A 74 0.909 42.458 -15.364 1.00 0.00 H ATOM 1160 HH11 ARG A 74 0.988 43.063 -13.669 1.00 0.00 H ATOM 1161 HH22 ARG A 74 1.774 43.690 -17.047 1.00 0.00 H ATOM 1162 HH21 ARG A 74 2.546 45.280 -16.700 1.00 0.00 H ATOM 1163 H ARG A 74 -1.019 48.302 -11.251 1.00 0.00 H ATOM 1164 N THR A 75 -1.507 47.125 -8.173 1.00 19.13 N ATOM 1165 CA THR A 75 -1.764 46.945 -6.723 1.00 18.48 C ATOM 1166 C THR A 75 -3.252 46.924 -6.382 1.00 16.25 C ATOM 1167 O THR A 75 -3.901 47.919 -6.095 1.00 16.36 O ATOM 1168 CB THR A 75 -1.023 47.995 -5.851 1.00 19.69 C ATOM 1169 OG1 THR A 75 0.325 48.135 -6.309 1.00 20.10 O ATOM 1170 CG2 THR A 75 -0.998 47.656 -4.351 1.00 19.64 C ATOM 1171 HA THR A 75 -1.358 45.963 -6.482 1.00 0.00 H ATOM 1172 HB THR A 75 -1.583 48.924 -5.960 1.00 0.00 H ATOM 1173 HG1 THR A 75 0.794 48.805 -5.751 1.00 0.00 H ATOM 1174 HG23 THR A 75 -2.020 47.546 -3.988 1.00 0.00 H ATOM 1175 HG21 THR A 75 -0.455 46.723 -4.200 1.00 0.00 H ATOM 1176 HG22 THR A 75 -0.502 48.459 -3.806 1.00 0.00 H ATOM 1177 H THR A 75 -1.565 48.067 -8.611 1.00 0.00 H ATOM 1178 N GLN A 76 -3.782 45.709 -6.472 1.00 14.19 N ATOM 1179 CA GLN A 76 -5.227 45.570 -6.303 1.00 13.52 C ATOM 1180 C GLN A 76 -5.661 44.990 -4.969 1.00 13.97 C ATOM 1181 O GLN A 76 -4.897 44.324 -4.263 1.00 15.14 O ATOM 1182 CB GLN A 76 -5.812 44.713 -7.409 1.00 13.17 C ATOM 1183 CG GLN A 76 -5.725 45.373 -8.773 1.00 14.58 C ATOM 1184 CD GLN A 76 -6.319 44.431 -9.797 1.00 16.59 C ATOM 1185 OE1 GLN A 76 -7.310 43.742 -9.619 1.00 17.10 O ATOM 1186 NE2 GLN A 76 -5.639 44.388 -10.921 1.00 15.95 N ATOM 1187 HA GLN A 76 -5.607 46.591 -6.344 1.00 0.00 H ATOM 1188 HB2 GLN A 76 -5.268 43.769 -7.443 1.00 0.00 H ATOM 1189 HB3 GLN A 76 -6.860 44.519 -7.182 1.00 0.00 H ATOM 1190 HG2 GLN A 76 -6.283 46.309 -8.766 1.00 0.00 H ATOM 1191 HG3 GLN A 76 -4.682 45.575 -9.019 1.00 0.00 H ATOM 1192 HE22 GLN A 76 -4.798 44.988 -11.043 1.00 0.00 H ATOM 1193 HE21 GLN A 76 -5.942 43.754 -11.688 1.00 0.00 H ATOM 1194 H GLN A 76 -3.184 44.879 -6.658 1.00 0.00 H ATOM 1195 N PHE A 77 -6.929 45.293 -4.654 1.00 12.60 N ATOM 1196 CA PHE A 77 -7.572 44.900 -3.388 1.00 8.95 C ATOM 1197 C PHE A 77 -8.990 44.385 -3.591 1.00 9.38 C ATOM 1198 O PHE A 77 -9.772 44.867 -4.396 1.00 8.68 O ATOM 1199 CB PHE A 77 -7.610 46.060 -2.397 1.00 7.25 C ATOM 1200 CG PHE A 77 -6.237 46.700 -2.259 1.00 4.52 C ATOM 1201 CD1 PHE A 77 -5.852 47.728 -3.157 1.00 4.00 C ATOM 1202 CD2 PHE A 77 -5.358 46.245 -1.259 1.00 2.00 C ATOM 1203 CE1 PHE A 77 -4.554 48.270 -3.095 1.00 2.49 C ATOM 1204 CE2 PHE A 77 -4.062 46.790 -1.198 1.00 3.86 C ATOM 1205 CZ PHE A 77 -3.665 47.784 -2.122 1.00 2.00 C ATOM 1206 HA PHE A 77 -6.962 44.092 -2.985 1.00 0.00 H ATOM 1207 HB2 PHE A 77 -8.319 46.809 -2.750 1.00 0.00 H ATOM 1208 HB3 PHE A 77 -7.930 45.688 -1.424 1.00 0.00 H ATOM 1209 HD2 PHE A 77 -5.675 45.485 -0.545 1.00 0.00 H ATOM 1210 HE2 PHE A 77 -3.362 46.445 -0.437 1.00 0.00 H ATOM 1211 HZ PHE A 77 -2.651 48.180 -2.078 1.00 0.00 H ATOM 1212 HE1 PHE A 77 -4.245 49.052 -3.789 1.00 0.00 H ATOM 1213 HD1 PHE A 77 -6.562 48.099 -3.896 1.00 0.00 H ATOM 1214 H PHE A 77 -7.490 45.836 -5.342 1.00 0.00 H ATOM 1215 N SER A 78 -9.301 43.335 -2.860 1.00 10.26 N ATOM 1216 CA SER A 78 -10.639 42.767 -3.054 1.00 10.33 C ATOM 1217 C SER A 78 -11.809 43.580 -2.524 1.00 11.16 C ATOM 1218 O SER A 78 -12.905 43.628 -3.076 1.00 11.23 O ATOM 1219 CB SER A 78 -10.708 41.395 -2.436 1.00 10.78 C ATOM 1220 OG SER A 78 -9.724 40.565 -3.055 1.00 14.58 O ATOM 1221 HA SER A 78 -10.757 42.753 -4.138 1.00 0.00 H ATOM 1222 HB2 SER A 78 -11.699 40.970 -2.595 1.00 0.00 H ATOM 1223 HB3 SER A 78 -10.510 41.464 -1.366 1.00 0.00 H ATOM 1224 HG SER A 78 -9.760 39.659 -2.657 1.00 0.00 H ATOM 1225 H SER A 78 -8.630 42.928 -2.178 1.00 0.00 H ATOM 1226 N SER A 79 -11.491 44.273 -1.440 1.00 10.97 N ATOM 1227 CA SER A 79 -12.431 45.266 -0.918 1.00 12.28 C ATOM 1228 C SER A 79 -11.828 46.617 -0.595 1.00 12.03 C ATOM 1229 O SER A 79 -10.631 46.799 -0.428 1.00 12.37 O ATOM 1230 CB SER A 79 -13.106 44.778 0.352 1.00 12.98 C ATOM 1231 OG SER A 79 -12.107 44.440 1.308 1.00 11.64 O ATOM 1232 HA SER A 79 -13.137 45.393 -1.739 1.00 0.00 H ATOM 1233 HB2 SER A 79 -13.712 43.899 0.130 1.00 0.00 H ATOM 1234 HB3 SER A 79 -13.744 45.566 0.753 1.00 0.00 H ATOM 1235 HG SER A 79 -11.529 43.725 0.941 1.00 0.00 H ATOM 1236 H SER A 79 -10.580 44.112 -0.964 1.00 0.00 H ATOM 1237 N LEU A 80 -12.712 47.588 -0.475 1.00 11.94 N ATOM 1238 CA LEU A 80 -12.280 48.910 -0.006 1.00 10.28 C ATOM 1239 C LEU A 80 -11.604 48.961 1.382 1.00 10.47 C ATOM 1240 O LEU A 80 -10.613 49.632 1.634 1.00 12.03 O ATOM 1241 CB LEU A 80 -13.516 49.770 -0.055 1.00 12.36 C ATOM 1242 CG LEU A 80 -13.472 50.994 -0.945 1.00 14.58 C ATOM 1243 CD1 LEU A 80 -12.878 50.775 -2.337 1.00 15.82 C ATOM 1244 CD2 LEU A 80 -14.899 51.519 -1.040 1.00 15.14 C ATOM 1245 HA LEU A 80 -11.477 49.262 -0.654 1.00 0.00 H ATOM 1246 HB2 LEU A 80 -14.339 49.143 -0.399 1.00 0.00 H ATOM 1247 HB3 LEU A 80 -13.720 50.110 0.960 1.00 0.00 H ATOM 1248 HG LEU A 80 -12.789 51.712 -0.490 1.00 0.00 H ATOM 1249 HD21 LEU A 80 -15.540 50.749 -1.470 1.00 0.00 H ATOM 1250 HD22 LEU A 80 -15.257 51.777 -0.043 1.00 0.00 H ATOM 1251 HD23 LEU A 80 -14.917 52.405 -1.674 1.00 0.00 H ATOM 1252 HD11 LEU A 80 -11.850 50.427 -2.241 1.00 0.00 H ATOM 1253 HD12 LEU A 80 -13.468 50.028 -2.869 1.00 0.00 H ATOM 1254 HD13 LEU A 80 -12.895 51.714 -2.890 1.00 0.00 H ATOM 1255 H LEU A 80 -13.710 47.418 -0.712 1.00 0.00 H ATOM 1256 N GLN A 81 -12.145 48.124 2.271 1.00 8.27 N ATOM 1257 CA GLN A 81 -11.503 47.773 3.539 1.00 8.96 C ATOM 1258 C GLN A 81 -10.016 47.346 3.511 1.00 11.01 C ATOM 1259 O GLN A 81 -9.148 47.924 4.153 1.00 13.59 O ATOM 1260 CB GLN A 81 -12.331 46.698 4.242 1.00 7.35 C ATOM 1261 CG GLN A 81 -13.699 47.147 4.768 1.00 7.86 C ATOM 1262 CD GLN A 81 -14.807 47.024 3.752 1.00 9.45 C ATOM 1263 OE1 GLN A 81 -14.655 46.866 2.555 1.00 10.73 O ATOM 1264 NE2 GLN A 81 -16.005 47.171 4.268 1.00 12.54 N ATOM 1265 HA GLN A 81 -11.478 48.718 4.081 1.00 0.00 H ATOM 1266 HB2 GLN A 81 -12.495 45.886 3.534 1.00 0.00 H ATOM 1267 HB3 GLN A 81 -11.752 46.329 5.088 1.00 0.00 H ATOM 1268 HG2 GLN A 81 -13.954 46.534 5.632 1.00 0.00 H ATOM 1269 HG3 GLN A 81 -13.625 48.191 5.073 1.00 0.00 H ATOM 1270 HE22 GLN A 81 -16.117 47.305 5.293 1.00 0.00 H ATOM 1271 HE21 GLN A 81 -16.842 47.153 3.652 1.00 0.00 H ATOM 1272 H GLN A 81 -13.069 47.700 2.051 1.00 0.00 H ATOM 1273 N GLN A 82 -9.725 46.322 2.699 1.00 11.55 N ATOM 1274 CA GLN A 82 -8.336 45.978 2.374 1.00 10.56 C ATOM 1275 C GLN A 82 -7.459 47.107 1.781 1.00 11.24 C ATOM 1276 O GLN A 82 -6.338 47.349 2.213 1.00 9.15 O ATOM 1277 CB GLN A 82 -8.372 44.716 1.526 1.00 12.81 C ATOM 1278 CG GLN A 82 -8.969 43.565 2.348 1.00 15.72 C ATOM 1279 CD GLN A 82 -9.578 42.472 1.459 1.00 21.67 C ATOM 1280 OE1 GLN A 82 -10.238 42.695 0.454 1.00 22.84 O ATOM 1281 NE2 GLN A 82 -9.402 41.228 1.878 1.00 20.34 N ATOM 1282 HA GLN A 82 -7.810 45.803 3.312 1.00 0.00 H ATOM 1283 HB2 GLN A 82 -8.986 44.889 0.642 1.00 0.00 H ATOM 1284 HB3 GLN A 82 -7.359 44.456 1.218 1.00 0.00 H ATOM 1285 HG2 GLN A 82 -8.181 43.123 2.958 1.00 0.00 H ATOM 1286 HG3 GLN A 82 -9.748 43.964 2.997 1.00 0.00 H ATOM 1287 HE22 GLN A 82 -8.840 41.042 2.733 1.00 0.00 H ATOM 1288 HE21 GLN A 82 -9.826 40.437 1.352 1.00 0.00 H ATOM 1289 H GLN A 82 -10.499 45.759 2.291 1.00 0.00 H ATOM 1290 N LEU A 83 -8.051 47.869 0.837 1.00 11.02 N ATOM 1291 CA LEU A 83 -7.381 49.066 0.283 1.00 10.19 C ATOM 1292 C LEU A 83 -6.881 50.005 1.380 1.00 10.08 C ATOM 1293 O LEU A 83 -5.712 50.350 1.487 1.00 9.63 O ATOM 1294 CB LEU A 83 -8.366 49.745 -0.707 1.00 10.22 C ATOM 1295 CG LEU A 83 -8.123 50.993 -1.607 1.00 9.96 C ATOM 1296 CD1 LEU A 83 -7.357 52.167 -0.985 1.00 9.31 C ATOM 1297 CD2 LEU A 83 -7.638 50.632 -2.993 1.00 10.22 C ATOM 1298 HA LEU A 83 -6.479 48.778 -0.257 1.00 0.00 H ATOM 1299 HB2 LEU A 83 -8.644 48.954 -1.404 1.00 0.00 H ATOM 1300 HB3 LEU A 83 -9.229 50.010 -0.097 1.00 0.00 H ATOM 1301 HG LEU A 83 -9.126 51.407 -1.708 1.00 0.00 H ATOM 1302 HD21 LEU A 83 -6.697 50.088 -2.917 1.00 0.00 H ATOM 1303 HD22 LEU A 83 -8.382 50.006 -3.485 1.00 0.00 H ATOM 1304 HD23 LEU A 83 -7.487 51.543 -3.572 1.00 0.00 H ATOM 1305 HD11 LEU A 83 -7.902 52.535 -0.116 1.00 0.00 H ATOM 1306 HD12 LEU A 83 -6.366 51.831 -0.678 1.00 0.00 H ATOM 1307 HD13 LEU A 83 -7.260 52.966 -1.720 1.00 0.00 H ATOM 1308 H LEU A 83 -8.997 47.609 0.492 1.00 0.00 H ATOM 1309 N VAL A 84 -7.841 50.376 2.248 1.00 9.84 N ATOM 1310 CA VAL A 84 -7.470 51.348 3.275 1.00 7.09 C ATOM 1311 C VAL A 84 -6.553 50.831 4.380 1.00 7.97 C ATOM 1312 O VAL A 84 -5.622 51.463 4.871 1.00 8.25 O ATOM 1313 CB VAL A 84 -8.674 52.160 3.830 1.00 6.78 C ATOM 1314 CG1 VAL A 84 -9.758 52.411 2.778 1.00 9.52 C ATOM 1315 CG2 VAL A 84 -9.252 51.661 5.144 1.00 7.05 C ATOM 1316 HA VAL A 84 -6.846 52.051 2.722 1.00 0.00 H ATOM 1317 HB VAL A 84 -8.233 53.125 4.082 1.00 0.00 H ATOM 1318 HG11 VAL A 84 -9.332 52.973 1.947 1.00 0.00 H ATOM 1319 HG12 VAL A 84 -10.139 51.456 2.416 1.00 0.00 H ATOM 1320 HG13 VAL A 84 -10.571 52.982 3.225 1.00 0.00 H ATOM 1321 HG21 VAL A 84 -9.603 50.637 5.019 1.00 0.00 H ATOM 1322 HG22 VAL A 84 -8.480 51.691 5.913 1.00 0.00 H ATOM 1323 HG23 VAL A 84 -10.085 52.299 5.439 1.00 0.00 H ATOM 1324 H VAL A 84 -8.804 49.988 2.190 1.00 0.00 H ATOM 1325 N ALA A 85 -6.810 49.569 4.724 1.00 7.75 N ATOM 1326 CA ALA A 85 -5.903 48.919 5.666 1.00 6.27 C ATOM 1327 C ALA A 85 -4.440 48.758 5.196 1.00 5.55 C ATOM 1328 O ALA A 85 -3.524 48.833 6.006 1.00 7.77 O ATOM 1329 CB ALA A 85 -6.473 47.555 6.077 1.00 5.91 C ATOM 1330 HA ALA A 85 -5.846 49.601 6.514 1.00 0.00 H ATOM 1331 HB1 ALA A 85 -7.445 47.696 6.550 1.00 0.00 H ATOM 1332 HB2 ALA A 85 -6.586 46.928 5.192 1.00 0.00 H ATOM 1333 HB3 ALA A 85 -5.792 47.075 6.780 1.00 0.00 H ATOM 1334 H ALA A 85 -7.631 49.063 4.334 1.00 0.00 H ATOM 1335 N TYR A 86 -4.254 48.585 3.879 1.00 5.50 N ATOM 1336 CA TYR A 86 -2.935 48.648 3.251 1.00 6.19 C ATOM 1337 C TYR A 86 -2.199 50.002 3.334 1.00 6.85 C ATOM 1338 O TYR A 86 -1.147 50.176 3.927 1.00 7.97 O ATOM 1339 CB TYR A 86 -3.122 48.213 1.805 1.00 9.78 C ATOM 1340 CG TYR A 86 -1.812 48.126 1.035 1.00 13.67 C ATOM 1341 CD1 TYR A 86 -1.058 46.929 1.081 1.00 13.57 C ATOM 1342 CD2 TYR A 86 -1.389 49.235 0.267 1.00 14.95 C ATOM 1343 CE1 TYR A 86 0.109 46.833 0.306 1.00 14.62 C ATOM 1344 CE2 TYR A 86 -0.227 49.138 -0.514 1.00 15.25 C ATOM 1345 CZ TYR A 86 0.497 47.930 -0.495 1.00 16.20 C ATOM 1346 OH TYR A 86 1.609 47.795 -1.293 1.00 20.71 O ATOM 1347 HA TYR A 86 -2.275 47.988 3.814 1.00 0.00 H ATOM 1348 HB3 TYR A 86 -3.771 48.933 1.307 1.00 0.00 H ATOM 1349 HB2 TYR A 86 -3.596 47.232 1.796 1.00 0.00 H ATOM 1350 HD2 TYR A 86 -1.963 50.162 0.281 1.00 0.00 H ATOM 1351 HE2 TYR A 86 0.108 49.979 -1.122 1.00 0.00 H ATOM 1352 HE1 TYR A 86 0.708 45.923 0.322 1.00 0.00 H ATOM 1353 HD1 TYR A 86 -1.378 46.096 1.707 1.00 0.00 H ATOM 1354 HH TYR A 86 1.349 47.910 -2.241 1.00 0.00 H ATOM 1355 H TYR A 86 -5.083 48.398 3.279 1.00 0.00 H ATOM 1356 N TYR A 87 -2.857 50.999 2.759 1.00 7.83 N ATOM 1357 CA TYR A 87 -2.337 52.360 2.775 1.00 6.70 C ATOM 1358 C TYR A 87 -2.140 53.022 4.142 1.00 6.35 C ATOM 1359 O TYR A 87 -1.392 53.962 4.349 1.00 5.29 O ATOM 1360 CB TYR A 87 -3.207 53.163 1.809 1.00 5.70 C ATOM 1361 CG TYR A 87 -2.908 52.758 0.375 1.00 6.29 C ATOM 1362 CD1 TYR A 87 -1.609 52.956 -0.141 1.00 7.60 C ATOM 1363 CD2 TYR A 87 -3.941 52.237 -0.435 1.00 5.00 C ATOM 1364 CE1 TYR A 87 -1.343 52.703 -1.500 1.00 6.97 C ATOM 1365 CE2 TYR A 87 -3.687 51.969 -1.794 1.00 3.88 C ATOM 1366 CZ TYR A 87 -2.393 52.218 -2.304 1.00 9.03 C ATOM 1367 OH TYR A 87 -2.150 51.986 -3.645 1.00 13.24 O ATOM 1368 HA TYR A 87 -1.297 52.329 2.450 1.00 0.00 H ATOM 1369 HB3 TYR A 87 -2.999 54.226 1.934 1.00 0.00 H ATOM 1370 HB2 TYR A 87 -4.258 52.972 2.026 1.00 0.00 H ATOM 1371 HD2 TYR A 87 -4.927 52.044 -0.012 1.00 0.00 H ATOM 1372 HE2 TYR A 87 -4.473 51.577 -2.440 1.00 0.00 H ATOM 1373 HE1 TYR A 87 -0.352 52.878 -1.919 1.00 0.00 H ATOM 1374 HD1 TYR A 87 -0.811 53.305 0.514 1.00 0.00 H ATOM 1375 HH TYR A 87 -2.321 51.033 -3.850 1.00 0.00 H ATOM 1376 H TYR A 87 -3.763 50.806 2.287 1.00 0.00 H ATOM 1377 N SER A 88 -2.808 52.427 5.137 1.00 9.31 N ATOM 1378 CA SER A 88 -2.408 52.732 6.529 1.00 10.36 C ATOM 1379 C SER A 88 -1.121 52.115 7.079 1.00 11.87 C ATOM 1380 O SER A 88 -0.562 52.542 8.075 1.00 15.47 O ATOM 1381 CB SER A 88 -3.443 52.300 7.544 1.00 9.77 C ATOM 1382 OG SER A 88 -4.750 52.662 7.113 1.00 11.17 O ATOM 1383 HA SER A 88 -2.272 53.808 6.421 1.00 0.00 H ATOM 1384 HB2 SER A 88 -3.233 52.784 8.498 1.00 0.00 H ATOM 1385 HB3 SER A 88 -3.393 51.218 7.668 1.00 0.00 H ATOM 1386 HG SER A 88 -4.945 52.221 6.248 1.00 0.00 H ATOM 1387 H SER A 88 -3.587 51.768 4.938 1.00 0.00 H ATOM 1388 N LYS A 89 -0.676 51.037 6.442 1.00 14.39 N ATOM 1389 CA LYS A 89 0.615 50.456 6.833 1.00 15.94 C ATOM 1390 C LYS A 89 1.772 51.057 6.039 1.00 16.64 C ATOM 1391 O LYS A 89 2.842 51.366 6.526 1.00 16.20 O ATOM 1392 CB LYS A 89 0.664 48.955 6.547 1.00 17.82 C ATOM 1393 CG LYS A 89 -0.589 48.101 6.795 1.00 24.33 C ATOM 1394 CD LYS A 89 -0.749 47.486 8.190 1.00 28.61 C ATOM 1395 CE LYS A 89 -2.090 46.738 8.411 1.00 32.40 C ATOM 1396 NZ LYS A 89 -3.242 47.662 8.479 1.00 34.55 N ATOM 1397 HA LYS A 89 0.712 50.667 7.898 1.00 0.00 H ATOM 1398 HB2 LYS A 89 0.925 48.840 5.495 1.00 0.00 H ATOM 1399 HB3 LYS A 89 1.460 48.539 7.165 1.00 0.00 H ATOM 1400 HG2 LYS A 89 -1.459 48.732 6.612 1.00 0.00 H ATOM 1401 HG3 LYS A 89 -0.577 47.283 6.074 1.00 0.00 H ATOM 1402 HD2 LYS A 89 0.066 46.779 8.347 1.00 0.00 H ATOM 1403 HD3 LYS A 89 -0.680 48.287 8.926 1.00 0.00 H ATOM 1404 HE2 LYS A 89 -2.031 46.181 9.346 1.00 0.00 H ATOM 1405 HE3 LYS A 89 -2.245 46.044 7.585 1.00 0.00 H ATOM 1406 HZ1 LYS A 89 -3.107 48.324 9.269 1.00 0.00 H ATOM 1407 HZ2 LYS A 89 -3.312 48.194 7.588 1.00 0.00 H ATOM 1408 HZ3 LYS A 89 -4.115 47.116 8.627 1.00 0.00 H ATOM 1409 H LYS A 89 -1.235 50.610 5.676 1.00 0.00 H ATOM 1410 N HIS A 90 1.484 51.227 4.752 1.00 17.94 N ATOM 1411 CA HIS A 90 2.447 51.922 3.904 1.00 19.08 C ATOM 1412 C HIS A 90 1.851 52.886 2.899 1.00 17.03 C ATOM 1413 O HIS A 90 0.826 52.638 2.290 1.00 16.34 O ATOM 1414 CB HIS A 90 3.371 50.998 3.104 1.00 22.50 C ATOM 1415 CG HIS A 90 3.067 49.549 3.298 1.00 25.33 C ATOM 1416 ND1 HIS A 90 3.791 48.752 4.113 1.00 28.56 N ATOM 1417 CD2 HIS A 90 2.046 48.809 2.708 1.00 28.15 C ATOM 1418 CE1 HIS A 90 3.243 47.500 4.056 1.00 28.80 C ATOM 1419 NE2 HIS A 90 2.174 47.544 3.194 1.00 30.58 N ATOM 1420 HA HIS A 90 3.008 52.474 4.658 1.00 0.00 H ATOM 1421 HB2 HIS A 90 3.266 51.235 2.045 1.00 0.00 H ATOM 1422 HB3 HIS A 90 4.399 51.181 3.416 1.00 0.00 H ATOM 1423 HD2 HIS A 90 1.298 49.169 2.002 1.00 0.00 H ATOM 1424 HE1 HIS A 90 3.593 46.622 4.599 1.00 0.00 H ATOM 1425 H HIS A 90 0.590 50.872 4.357 1.00 0.00 H ATOM 1426 N ALA A 91 2.587 53.981 2.711 1.00 17.07 N ATOM 1427 CA ALA A 91 2.190 54.883 1.627 1.00 16.97 C ATOM 1428 C ALA A 91 2.259 54.317 0.195 1.00 16.41 C ATOM 1429 O ALA A 91 1.367 54.502 -0.620 1.00 18.20 O ATOM 1430 CB ALA A 91 2.992 56.181 1.740 1.00 13.58 C ATOM 1431 HA ALA A 91 1.123 55.054 1.773 1.00 0.00 H ATOM 1432 HB1 ALA A 91 2.788 56.650 2.703 1.00 0.00 H ATOM 1433 HB2 ALA A 91 4.056 55.957 1.662 1.00 0.00 H ATOM 1434 HB3 ALA A 91 2.702 56.857 0.936 1.00 0.00 H ATOM 1435 H ALA A 91 3.411 54.187 3.311 1.00 0.00 H ATOM 1436 N ASP A 92 3.370 53.611 -0.099 1.00 18.32 N ATOM 1437 CA ASP A 92 3.542 52.957 -1.428 1.00 18.34 C ATOM 1438 C ASP A 92 3.305 53.865 -2.666 1.00 17.84 C ATOM 1439 O ASP A 92 2.517 53.619 -3.571 1.00 17.53 O ATOM 1440 CB ASP A 92 2.729 51.627 -1.434 1.00 20.50 C ATOM 1441 CG ASP A 92 3.083 50.665 -2.569 1.00 22.22 C ATOM 1442 OD1 ASP A 92 4.235 50.598 -2.960 1.00 25.59 O ATOM 1443 OD2 ASP A 92 2.204 49.972 -3.075 1.00 23.00 O ATOM 1444 HA ASP A 92 4.601 52.729 -1.549 1.00 0.00 H ATOM 1445 HB2 ASP A 92 2.907 51.116 -0.488 1.00 0.00 H ATOM 1446 HB3 ASP A 92 1.671 51.876 -1.518 1.00 0.00 H ATOM 1447 H ASP A 92 4.121 53.521 0.615 1.00 0.00 H ATOM 1448 N GLY A 93 3.981 55.025 -2.645 1.00 17.43 N ATOM 1449 CA GLY A 93 3.605 56.011 -3.673 1.00 16.02 C ATOM 1450 C GLY A 93 2.611 57.133 -3.292 1.00 15.63 C ATOM 1451 O GLY A 93 2.595 58.195 -3.894 1.00 16.99 O ATOM 1452 HA3 GLY A 93 3.164 55.459 -4.503 1.00 0.00 H ATOM 1453 HA2 GLY A 93 4.523 56.494 -4.007 1.00 0.00 H ATOM 1454 H GLY A 93 4.726 55.216 -1.945 1.00 0.00 H ATOM 1455 N LEU A 94 1.750 56.881 -2.284 1.00 13.51 N ATOM 1456 CA LEU A 94 0.885 57.968 -1.777 1.00 11.41 C ATOM 1457 C LEU A 94 1.611 59.162 -1.155 1.00 11.90 C ATOM 1458 O LEU A 94 2.685 59.018 -0.583 1.00 13.41 O ATOM 1459 CB LEU A 94 -0.069 57.404 -0.726 1.00 9.71 C ATOM 1460 CG LEU A 94 -1.496 57.098 -1.140 1.00 10.23 C ATOM 1461 CD1 LEU A 94 -1.648 56.314 -2.455 1.00 10.43 C ATOM 1462 CD2 LEU A 94 -2.204 56.431 0.040 1.00 12.25 C ATOM 1463 HA LEU A 94 0.374 58.349 -2.661 1.00 0.00 H ATOM 1464 HB2 LEU A 94 0.367 56.475 -0.359 1.00 0.00 H ATOM 1465 HB3 LEU A 94 -0.117 58.127 0.088 1.00 0.00 H ATOM 1466 HG LEU A 94 -1.978 58.045 -1.382 1.00 0.00 H ATOM 1467 HD21 LEU A 94 -1.683 55.510 0.301 1.00 0.00 H ATOM 1468 HD22 LEU A 94 -2.198 57.107 0.895 1.00 0.00 H ATOM 1469 HD23 LEU A 94 -3.233 56.202 -0.237 1.00 0.00 H ATOM 1470 HD11 LEU A 94 -1.205 56.886 -3.271 1.00 0.00 H ATOM 1471 HD12 LEU A 94 -1.140 55.354 -2.365 1.00 0.00 H ATOM 1472 HD13 LEU A 94 -2.706 56.149 -2.658 1.00 0.00 H ATOM 1473 H LEU A 94 1.695 55.930 -1.867 1.00 0.00 H ATOM 1474 N CYS A 95 0.959 60.332 -1.189 1.00 12.49 N ATOM 1475 CA CYS A 95 1.535 61.497 -0.448 1.00 14.05 C ATOM 1476 C CYS A 95 2.009 61.325 1.024 1.00 15.16 C ATOM 1477 O CYS A 95 3.001 61.872 1.515 1.00 14.18 O ATOM 1478 CB CYS A 95 0.600 62.701 -0.499 1.00 13.05 C ATOM 1479 SG CYS A 95 -1.019 62.470 0.344 1.00 15.26 S ATOM 1480 HA CYS A 95 2.462 61.631 -1.006 1.00 0.00 H ATOM 1481 HB2 CYS A 95 0.405 62.933 -1.546 1.00 0.00 H ATOM 1482 HB3 CYS A 95 1.108 63.543 -0.029 1.00 0.00 H ATOM 1483 HG CYS A 95 -1.766 63.624 0.226 1.00 0.00 H ATOM 1484 H CYS A 95 0.070 60.428 -1.720 1.00 0.00 H ATOM 1485 N HIS A 96 1.207 60.485 1.696 1.00 13.69 N ATOM 1486 CA HIS A 96 1.393 60.102 3.089 1.00 12.16 C ATOM 1487 C HIS A 96 0.712 58.745 3.331 1.00 13.78 C ATOM 1488 O HIS A 96 -0.243 58.362 2.672 1.00 14.80 O ATOM 1489 CB HIS A 96 0.791 61.180 4.024 1.00 10.24 C ATOM 1490 CG HIS A 96 1.392 61.101 5.416 1.00 8.99 C ATOM 1491 ND1 HIS A 96 2.540 61.704 5.765 1.00 9.24 N ATOM 1492 CD2 HIS A 96 0.926 60.412 6.537 1.00 9.13 C ATOM 1493 CE1 HIS A 96 2.800 61.413 7.077 1.00 8.45 C ATOM 1494 NE2 HIS A 96 1.808 60.609 7.547 1.00 10.19 N ATOM 1495 HA HIS A 96 2.458 60.017 3.306 1.00 0.00 H ATOM 1496 HB2 HIS A 96 0.992 62.166 3.605 1.00 0.00 H ATOM 1497 HB3 HIS A 96 -0.286 61.029 4.093 1.00 0.00 H ATOM 1498 HD2 HIS A 96 0.013 59.819 6.591 1.00 0.00 H ATOM 1499 HE1 HIS A 96 3.658 61.766 7.649 1.00 0.00 H ATOM 1500 H HIS A 96 0.396 60.079 1.187 1.00 0.00 H ATOM 1501 N ARG A 97 1.218 58.036 4.331 1.00 14.14 N ATOM 1502 CA ARG A 97 0.435 56.949 4.908 1.00 12.08 C ATOM 1503 C ARG A 97 -0.907 57.354 5.565 1.00 11.42 C ATOM 1504 O ARG A 97 -1.029 58.369 6.223 1.00 11.60 O ATOM 1505 CB ARG A 97 1.398 56.346 5.891 1.00 12.87 C ATOM 1506 CG ARG A 97 1.072 54.966 6.389 1.00 17.12 C ATOM 1507 CD ARG A 97 2.052 54.608 7.513 1.00 18.09 C ATOM 1508 NE ARG A 97 1.993 55.615 8.579 1.00 19.91 N ATOM 1509 CZ ARG A 97 1.034 55.656 9.501 1.00 19.82 C ATOM 1510 NH1 ARG A 97 0.075 54.760 9.557 1.00 18.89 N ATOM 1511 NH2 ARG A 97 1.065 56.642 10.357 1.00 21.13 N ATOM 1512 HA ARG A 97 0.084 56.265 4.136 1.00 0.00 H ATOM 1513 HB2 ARG A 97 2.376 56.303 5.413 1.00 0.00 H ATOM 1514 HB3 ARG A 97 1.446 57.008 6.756 1.00 0.00 H ATOM 1515 HG2 ARG A 97 0.051 54.944 6.771 1.00 0.00 H ATOM 1516 HG3 ARG A 97 1.169 54.249 5.574 1.00 0.00 H ATOM 1517 HD2 ARG A 97 3.064 54.569 7.110 1.00 0.00 H ATOM 1518 HD3 ARG A 97 1.789 53.633 7.924 1.00 0.00 H ATOM 1519 HE ARG A 97 2.742 56.336 8.616 1.00 0.00 H ATOM 1520 HH12 ARG A 97 -0.657 54.827 10.293 1.00 0.00 H ATOM 1521 HH11 ARG A 97 0.047 53.984 8.865 1.00 0.00 H ATOM 1522 HH22 ARG A 97 0.335 56.713 11.095 1.00 0.00 H ATOM 1523 HH21 ARG A 97 1.819 57.356 10.301 1.00 0.00 H ATOM 1524 H ARG A 97 2.165 58.253 4.701 1.00 0.00 H ATOM 1525 N LEU A 98 -1.932 56.522 5.407 1.00 10.92 N ATOM 1526 CA LEU A 98 -3.188 56.865 6.099 1.00 10.07 C ATOM 1527 C LEU A 98 -3.141 56.800 7.614 1.00 11.03 C ATOM 1528 O LEU A 98 -2.653 55.867 8.246 1.00 12.83 O ATOM 1529 CB LEU A 98 -4.341 56.020 5.584 1.00 7.63 C ATOM 1530 CG LEU A 98 -5.093 56.501 4.345 1.00 6.98 C ATOM 1531 CD1 LEU A 98 -4.361 57.473 3.416 1.00 3.17 C ATOM 1532 CD2 LEU A 98 -5.704 55.282 3.652 1.00 4.78 C ATOM 1533 HA LEU A 98 -3.345 57.916 5.858 1.00 0.00 H ATOM 1534 HB2 LEU A 98 -3.941 55.032 5.356 1.00 0.00 H ATOM 1535 HB3 LEU A 98 -5.068 55.939 6.392 1.00 0.00 H ATOM 1536 HG LEU A 98 -5.886 57.164 4.690 1.00 0.00 H ATOM 1537 HD21 LEU A 98 -4.910 54.593 3.364 1.00 0.00 H ATOM 1538 HD22 LEU A 98 -6.390 54.782 4.336 1.00 0.00 H ATOM 1539 HD23 LEU A 98 -6.246 55.605 2.763 1.00 0.00 H ATOM 1540 HD11 LEU A 98 -4.101 58.376 3.969 1.00 0.00 H ATOM 1541 HD12 LEU A 98 -3.453 57.001 3.041 1.00 0.00 H ATOM 1542 HD13 LEU A 98 -5.010 57.732 2.579 1.00 0.00 H ATOM 1543 H LEU A 98 -1.851 55.667 4.821 1.00 0.00 H ATOM 1544 N THR A 99 -3.627 57.897 8.181 1.00 11.91 N ATOM 1545 CA THR A 99 -3.553 57.999 9.645 1.00 11.16 C ATOM 1546 C THR A 99 -4.929 58.067 10.286 1.00 12.56 C ATOM 1547 O THR A 99 -5.552 57.085 10.641 1.00 14.97 O ATOM 1548 CB THR A 99 -2.612 59.152 10.146 1.00 10.20 C ATOM 1549 OG1 THR A 99 -3.128 60.461 9.846 1.00 5.97 O ATOM 1550 CG2 THR A 99 -1.179 59.057 9.600 1.00 8.80 C ATOM 1551 HA THR A 99 -3.087 57.072 9.979 1.00 0.00 H ATOM 1552 HB THR A 99 -2.581 59.013 11.227 1.00 0.00 H ATOM 1553 HG1 THR A 99 -2.499 61.147 10.182 1.00 0.00 H ATOM 1554 HG23 THR A 99 -0.773 58.070 9.819 1.00 0.00 H ATOM 1555 HG21 THR A 99 -1.191 59.215 8.522 1.00 0.00 H ATOM 1556 HG22 THR A 99 -0.560 59.819 10.073 1.00 0.00 H ATOM 1557 H THR A 99 -4.046 58.658 7.609 1.00 0.00 H ATOM 1558 N ASN A 100 -5.415 59.277 10.402 1.00 14.40 N ATOM 1559 CA ASN A 100 -6.664 59.556 11.080 1.00 15.44 C ATOM 1560 C ASN A 100 -7.894 59.428 10.182 1.00 15.49 C ATOM 1561 O ASN A 100 -7.945 60.031 9.120 1.00 15.18 O ATOM 1562 CB ASN A 100 -6.506 61.007 11.533 1.00 17.45 C ATOM 1563 CG ASN A 100 -6.769 61.149 13.001 1.00 19.25 C ATOM 1564 OD1 ASN A 100 -6.047 60.648 13.843 1.00 19.30 O ATOM 1565 ND2 ASN A 100 -7.870 61.831 13.292 1.00 23.46 N ATOM 1566 HA ASN A 100 -6.835 58.842 11.886 1.00 0.00 H ATOM 1567 HB2 ASN A 100 -5.489 61.337 11.320 1.00 0.00 H ATOM 1568 HB3 ASN A 100 -7.212 61.630 10.983 1.00 0.00 H ATOM 1569 HD22 ASN A 100 -8.448 62.237 12.528 1.00 0.00 H ATOM 1570 HD21 ASN A 100 -8.155 61.960 14.284 1.00 0.00 H ATOM 1571 H ASN A 100 -4.883 60.070 9.991 1.00 0.00 H ATOM 1572 N VAL A 101 -8.937 58.713 10.635 1.00 16.44 N ATOM 1573 CA VAL A 101 -10.182 59.048 9.905 1.00 16.87 C ATOM 1574 C VAL A 101 -10.712 60.463 10.208 1.00 17.51 C ATOM 1575 O VAL A 101 -10.672 60.945 11.334 1.00 16.58 O ATOM 1576 CB VAL A 101 -11.307 57.949 9.903 1.00 15.78 C ATOM 1577 CG1 VAL A 101 -10.780 56.535 10.205 1.00 13.59 C ATOM 1578 CG2 VAL A 101 -12.539 58.281 10.741 1.00 13.51 C ATOM 1579 HA VAL A 101 -9.852 59.058 8.866 1.00 0.00 H ATOM 1580 HB VAL A 101 -11.654 57.953 8.870 1.00 0.00 H ATOM 1581 HG11 VAL A 101 -10.045 56.254 9.451 1.00 0.00 H ATOM 1582 HG12 VAL A 101 -10.313 56.525 11.190 1.00 0.00 H ATOM 1583 HG13 VAL A 101 -11.609 55.828 10.187 1.00 0.00 H ATOM 1584 HG21 VAL A 101 -12.243 58.422 11.780 1.00 0.00 H ATOM 1585 HG22 VAL A 101 -12.997 59.196 10.365 1.00 0.00 H ATOM 1586 HG23 VAL A 101 -13.254 57.461 10.674 1.00 0.00 H ATOM 1587 H VAL A 101 -8.878 58.013 11.402 1.00 0.00 H ATOM 1588 N CYS A 102 -11.151 61.132 9.140 1.00 19.21 N ATOM 1589 CA CYS A 102 -11.676 62.499 9.298 1.00 19.87 C ATOM 1590 C CYS A 102 -12.889 62.601 10.217 1.00 22.66 C ATOM 1591 O CYS A 102 -13.875 61.902 10.047 1.00 25.39 O ATOM 1592 CB CYS A 102 -12.055 63.046 7.923 1.00 18.59 C ATOM 1593 SG CYS A 102 -12.621 64.757 7.854 1.00 16.12 S ATOM 1594 HA CYS A 102 -10.882 63.081 9.766 1.00 0.00 H ATOM 1595 HB2 CYS A 102 -12.853 62.418 7.527 1.00 0.00 H ATOM 1596 HB3 CYS A 102 -11.177 62.963 7.282 1.00 0.00 H ATOM 1597 HG CYS A 102 -13.749 64.899 8.636 1.00 0.00 H ATOM 1598 H CYS A 102 -11.123 60.690 8.199 1.00 0.00 H ATOM 1599 N PRO A 103 -12.822 63.481 11.222 1.00 22.99 N ATOM 1600 CA PRO A 103 -14.074 63.747 11.936 1.00 25.26 C ATOM 1601 C PRO A 103 -14.978 64.690 11.122 1.00 29.28 C ATOM 1602 O PRO A 103 -14.522 65.673 10.535 1.00 29.96 O ATOM 1603 CB PRO A 103 -13.539 64.285 13.272 1.00 25.14 C ATOM 1604 CG PRO A 103 -12.158 64.915 12.973 1.00 23.60 C ATOM 1605 CD PRO A 103 -11.665 64.227 11.698 1.00 22.61 C ATOM 1606 HA PRO A 103 -14.741 62.900 12.095 1.00 0.00 H ATOM 1607 HD3 PRO A 103 -11.349 64.963 10.959 1.00 0.00 H ATOM 1608 HD2 PRO A 103 -10.835 63.555 11.917 1.00 0.00 H ATOM 1609 HG3 PRO A 103 -11.468 64.731 13.797 1.00 0.00 H ATOM 1610 HG2 PRO A 103 -12.255 65.989 12.814 1.00 0.00 H ATOM 1611 HB2 PRO A 103 -14.217 65.038 13.673 1.00 0.00 H ATOM 1612 HB3 PRO A 103 -13.434 63.472 13.990 1.00 0.00 H ATOM 1613 N THR A 104 -16.257 64.334 11.085 1.00 32.56 N ATOM 1614 CA THR A 104 -17.206 65.025 10.197 1.00 36.69 C ATOM 1615 C THR A 104 -18.446 64.161 10.017 1.00 39.06 C ATOM 1616 O THR A 104 -19.295 64.528 9.199 1.00 41.60 O ATOM 1617 CB THR A 104 -17.663 66.425 10.705 1.00 38.33 C ATOM 1618 OG1 THR A 104 -16.588 67.419 10.764 1.00 40.65 O ATOM 1619 CG2 THR A 104 -18.382 66.292 12.067 1.00 38.12 C ATOM 1620 HA THR A 104 -16.671 65.185 9.261 1.00 0.00 H ATOM 1621 HB THR A 104 -18.364 66.807 9.963 1.00 0.00 H ATOM 1622 HG1 THR A 104 -15.880 67.102 11.379 1.00 0.00 H ATOM 1623 HG23 THR A 104 -19.173 65.547 11.987 1.00 0.00 H ATOM 1624 HG21 THR A 104 -17.664 65.982 12.827 1.00 0.00 H ATOM 1625 HG22 THR A 104 -18.814 67.254 12.344 1.00 0.00 H ATOM 1626 H THR A 104 -16.592 63.558 11.691 1.00 0.00 H TER 1627 THR A 104 HETATM 1628 O HOH 1 -0.798 75.728 6.411 1.00 2.00 O HETATM 1629 O HOH 2 -19.039 55.501 -6.433 1.00 35.08 O HETATM 1630 O HOH 3 4.197 58.251 5.196 1.00 12.59 O HETATM 1631 O HOH 4 -3.870 76.375 -5.219 1.00 33.46 O HETATM 1632 O HOH 5 -6.772 42.369 -0.761 1.00 13.48 O HETATM 1633 O HOH 6 -11.207 74.340 6.374 1.00 14.72 O HETATM 1634 O HOH 7 6.866 73.545 8.814 1.00 18.23 O HETATM 1635 O HOH 8 -22.080 55.456 -1.832 1.00 17.01 O HETATM 1636 O HOH 9 -15.535 74.678 8.434 1.00 24.13 O HETATM 1637 O HOH 10 -3.572 50.775 -5.787 1.00 6.08 O HETATM 1638 O HOH 11 -2.956 75.079 0.034 1.00 17.15 O HETATM 1639 O HOH 12 -17.498 69.664 -5.111 1.00 16.34 O HETATM 1640 O HOH 13 -1.597 60.341 14.407 1.00 39.74 O HETATM 1641 O HOH 14 -4.713 65.797 -6.336 1.00 14.95 O HETATM 1642 O HOH 15 4.866 57.159 -0.899 1.00 37.62 O HETATM 1643 O HOH 16 3.314 65.423 -1.249 1.00 44.22 O HETATM 1644 O HOH 17 -3.014 67.397 7.819 1.00 31.91 O HETATM 1645 O HOH 18 7.357 65.465 3.686 1.00 27.83 O HETATM 1646 O HOH 19 -4.071 67.923 16.760 1.00 42.36 O HETATM 1647 O HOH 20 0.481 62.053 11.492 1.00 23.37 O HETATM 1648 O HOH 21 -21.492 67.450 0.394 1.00 15.58 O HETATM 1649 O HOH 22 -20.015 60.020 7.494 1.00 31.00 O HETATM 1650 O HOH 23 -10.885 60.824 14.054 1.00 34.79 O HETATM 1651 O HOH 24 -1.213 46.474 -15.410 1.00 37.46 O HETATM 1652 O HOH 25 -22.659 56.328 -10.826 1.00 32.60 O HETATM 1653 O HOH 26 0.067 53.089 12.029 1.00 21.98 O HETATM 1654 O HOH 27 5.031 77.142 3.808 1.00 32.75 O HETATM 1655 O HOH 28 -10.968 52.259 10.558 1.00 39.66 O HETATM 1656 O HOH 29 -5.628 69.674 7.603 1.00 24.64 O HETATM 1657 O HOH 30 2.541 59.330 10.431 1.00 50.91 O HETATM 1658 O HOH 31 -2.705 50.788 11.064 1.00 21.89 O HETATM 1659 O HOH 32 -1.169 68.523 13.514 1.00 39.46 O HETATM 1660 O HOH 33 -20.995 69.401 -6.176 1.00 33.64 O HETATM 1661 O HOH 34 -16.010 60.073 11.396 1.00 40.15 O HETATM 1662 O HOH 35 4.702 56.652 8.601 1.00 27.54 O HETATM 1663 O HOH 36 -2.239 42.939 -6.745 1.00 26.37 O HETATM 1664 O HOH 37 2.128 78.318 2.186 1.00 29.78 O HETATM 1665 O HOH 38 -9.720 48.795 6.864 1.00 23.65 O HETATM 1666 O HOH 39 -2.697 52.268 -13.131 1.00 14.44 O HETATM 1667 O HOH 40 -14.326 67.299 -8.290 1.00 32.06 O HETATM 1668 O HOH 41 -13.094 72.068 8.981 1.00 15.94 O HETATM 1669 O HOH 42 -11.247 64.094 -11.432 1.00 19.64 O HETATM 1670 O HOH 43 5.186 54.835 4.422 1.00 12.36 O HETATM 1671 O HOH 44 -12.709 56.353 -15.923 1.00 31.35 O HETATM 1672 O HOH 45 -6.259 71.695 -1.248 1.00 4.90 O HETATM 1673 O HOH 46 -6.365 74.418 0.709 1.00 13.98 O HETATM 1674 O HOH 47 8.216 67.844 7.770 1.00 32.42 O HETATM 1675 O HOH 48 -2.738 69.990 -3.378 1.00 30.03 O HETATM 1676 O HOH 49 -4.142 76.498 13.728 1.00 32.77 O HETATM 1677 O HOH 50 2.390 45.204 11.890 1.00 33.64 O HETATM 1678 O HOH 51 -12.280 68.056 10.436 1.00 39.11 O HETATM 1679 O HOH 52 -8.464 74.289 14.146 1.00 27.34 O HETATM 1680 O HOH 53 -6.080 61.209 17.005 1.00 32.12 O HETATM 1681 O HOH 54 -15.129 71.356 -6.871 1.00 19.40 O HETATM 1682 O HOH 55 -15.355 77.247 -4.686 1.00 40.79 O HETATM 1683 O HOH 56 -0.523 77.039 14.923 1.00 26.54 O HETATM 1684 O HOH 57 -5.695 44.721 8.721 1.00 29.38 O HETATM 1685 O HOH 58 -13.581 53.548 -13.790 1.00 45.33 O HETATM 1686 O HOH 59 -7.362 69.767 -4.299 1.00 39.28 O HETATM 1687 O HOH 60 -8.716 58.163 13.604 1.00 32.45 O HETATM 1688 O HOH 61 0.330 42.323 -17.222 1.00 42.68 O HETATM 1689 C9 UR A 2 -7.110 64.538 -11.073 1.00 0.09 C HETATM 1690 C10 UR A 2 -6.470 65.765 -11.778 1.00 0.06 C HETATM 1691 O12 UR A 2 -5.501 66.381 -11.464 1.00 -0.57 O HETATM 1692 O11 UR A 2 -7.170 66.065 -12.884 1.00 -0.57 O HETATM 1693 N8 UR A 2 -6.497 64.065 -9.798 1.00 -0.23 N HETATM 1694 C13 UR A 2 -5.580 63.039 -9.893 1.00 0.27 C HETATM 1695 N15 UR A 2 -5.143 62.487 -8.766 1.00 -0.25 N HETATM 1696 C16 UR A 2 -4.171 61.378 -8.782 1.00 0.13 C HETATM 1697 C22 UR A 2 -4.863 60.006 -9.078 1.00 0.20 C HETATM 1698 N24 UR A 2 -4.179 58.933 -9.588 1.00 -0.27 N HETATM 1699 C26 UR A 2 -2.861 59.006 -10.227 1.00 0.03 C HETATM 1700 C27 UR A 2 -1.646 58.782 -9.324 1.00 -0.03 C HETATM 1701 C28 UR A 2 -1.792 57.517 -8.469 1.00 -0.05 C HETATM 1702 C29 UR A 2 -0.481 57.039 -7.804 1.00 -0.04 C HETATM 1703 C34 UR A 2 -0.774 56.287 -6.500 1.00 -0.05 C HETATM 1704 C33 UR A 2 0.520 55.868 -5.815 1.00 -0.05 C HETATM 1705 C32 UR A 2 1.324 54.923 -6.718 1.00 -0.05 C HETATM 1706 C31 UR A 2 1.615 55.602 -8.067 1.00 -0.05 C HETATM 1707 C30 UR A 2 0.348 56.135 -8.747 1.00 -0.05 C HETATM 1708 H27 UR A 2 0.639 56.719 -9.633 1.00 0.03 H HETATM 1709 H28 UR A 2 -0.273 55.282 -9.058 1.00 0.03 H HETATM 1710 H29 UR A 2 2.303 56.443 -7.896 1.00 0.03 H HETATM 1711 H30 UR A 2 2.091 54.869 -8.735 1.00 0.03 H HETATM 1712 H31 UR A 2 2.274 54.670 -6.225 1.00 0.03 H HETATM 1713 H32 UR A 2 0.745 54.004 -6.891 1.00 0.03 H HETATM 1714 H33 UR A 2 1.122 56.763 -5.600 1.00 0.03 H HETATM 1715 H34 UR A 2 0.281 55.352 -4.873 1.00 0.03 H HETATM 1716 H24 UR A 2 -1.369 55.390 -6.727 1.00 0.03 H HETATM 1717 H25 UR A 2 -1.343 56.943 -5.825 1.00 0.03 H HETATM 1718 H26 UR A 2 0.121 57.928 -7.564 1.00 0.03 H HETATM 1719 H22 UR A 2 -2.165 56.708 -9.114 1.00 0.03 H HETATM 1720 H23 UR A 2 -2.525 57.721 -7.675 1.00 0.03 H HETATM 1721 H20 UR A 2 -1.534 59.650 -8.658 1.00 0.03 H HETATM 1722 H21 UR A 2 -0.749 58.684 -9.953 1.00 0.03 H HETATM 1723 H18 UR A 2 -2.763 60.005 -10.676 1.00 0.05 H HETATM 1724 H19 UR A 2 -2.832 58.244 -11.020 1.00 0.05 H HETATM 1725 C25 UR A 2 -4.920 57.660 -9.576 1.00 0.02 C HETATM 1726 H15 UR A 2 -4.290 56.865 -10.003 1.00 0.05 H HETATM 1727 H16 UR A 2 -5.836 57.763 -10.176 1.00 0.05 H HETATM 1728 H17 UR A 2 -5.186 57.401 -8.541 1.00 0.05 H HETATM 1729 O23 UR A 2 -6.052 59.892 -8.818 1.00 -0.39 O HETATM 1730 C17 UR A 2 -3.522 61.298 -7.378 1.00 -0.00 C HETATM 1731 C18 UR A 2 -2.838 62.578 -6.880 1.00 0.00 C HETATM 1732 C19 UR A 2 -1.884 63.186 -7.894 1.00 0.04 C HETATM 1733 O21 UR A 2 -1.154 62.447 -8.555 1.00 -0.57 O HETATM 1734 O20 UR A 2 -1.900 64.404 -8.013 1.00 -0.57 O HETATM 1735 H13 UR A 2 -2.271 62.338 -5.968 1.00 0.04 H HETATM 1736 H14 UR A 2 -3.615 63.320 -6.644 1.00 0.04 H HETATM 1737 H11 UR A 2 -2.766 60.500 -7.402 1.00 0.03 H HETATM 1738 H12 UR A 2 -4.310 61.035 -6.657 1.00 0.03 H HETATM 1739 H10 UR A 2 -3.403 61.573 -9.545 1.00 0.08 H HETATM 1740 H9 UR A 2 -5.480 62.831 -7.889 1.00 0.19 H HETATM 1741 O14 UR A 2 -5.214 62.604 -10.975 1.00 -0.40 O HETATM 1742 C7 UR A 2 -6.929 64.719 -8.552 1.00 0.09 C HETATM 1743 C4 UR A 2 -8.398 64.526 -8.268 1.00 0.02 C HETATM 1744 C5 UR A 2 -9.271 65.620 -8.123 1.00 -0.02 C HETATM 1745 C6 UR A 2 -10.625 65.406 -7.820 1.00 0.01 C HETATM 1746 C1 UR A 2 -11.085 64.116 -7.650 1.00 0.17 C HETATM 1747 C2 UR A 2 -10.247 63.019 -7.809 1.00 0.01 C HETATM 1748 C3 UR A 2 -8.901 63.228 -8.124 1.00 -0.02 C HETATM 1749 H5 UR A 2 -8.242 62.378 -8.258 1.00 0.07 H HETATM 1750 H6 UR A 2 -10.632 62.013 -7.690 1.00 0.07 H HETATM 1751 O4P UR A 2 -12.409 63.941 -7.226 1.00 -0.20 O HETATM 1752 P UR A 2 -13.511 63.451 -8.206 1.00 0.13 P HETATM 1753 O3P UR A 2 -13.084 62.069 -8.691 1.00 -0.67 O HETATM 1754 O2P UR A 2 -14.748 63.423 -7.304 1.00 -0.67 O HETATM 1755 O1P UR A 2 -13.686 64.491 -9.317 1.00 -0.67 O HETATM 1756 H8 UR A 2 -11.303 66.246 -7.721 1.00 0.07 H HETATM 1757 H7 UR A 2 -8.897 66.630 -8.245 1.00 0.07 H HETATM 1758 H3 UR A 2 -6.726 65.797 -8.632 1.00 0.08 H HETATM 1759 H4 UR A 2 -6.351 64.298 -7.716 1.00 0.08 H HETATM 1760 H1 UR A 2 -7.077 63.699 -11.783 1.00 0.07 H HETATM 1761 H2 UR A 2 -8.158 64.794 -10.857 1.00 0.07 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1689 1690 1693 1760 1761 CONECT 1690 1689 1691 1692 CONECT 1691 1690 CONECT 1692 1690 CONECT 1693 1689 1694 1742 CONECT 1694 1693 1695 1741 CONECT 1695 1694 1696 1740 CONECT 1696 1695 1697 1730 1739 CONECT 1697 1696 1698 1729 CONECT 1698 1697 1699 1725 CONECT 1699 1698 1700 1723 1724 CONECT 1700 1699 1701 1721 1722 CONECT 1701 1700 1702 1719 1720 CONECT 1702 1701 1703 1707 1718 CONECT 1703 1702 1704 1716 1717 CONECT 1704 1703 1705 1714 1715 CONECT 1705 1704 1706 1712 1713 CONECT 1706 1705 1707 1710 1711 CONECT 1707 1702 1706 1708 1709 CONECT 1708 1707 CONECT 1709 1707 CONECT 1710 1706 CONECT 1711 1706 CONECT 1712 1705 CONECT 1713 1705 CONECT 1714 1704 CONECT 1715 1704 CONECT 1716 1703 CONECT 1717 1703 CONECT 1718 1702 CONECT 1719 1701 CONECT 1720 1701 CONECT 1721 1700 CONECT 1722 1700 CONECT 1723 1699 CONECT 1724 1699 CONECT 1725 1698 1726 1727 1728 CONECT 1726 1725 CONECT 1727 1725 CONECT 1728 1725 CONECT 1729 1697 CONECT 1730 1696 1731 1737 1738 CONECT 1731 1730 1732 1735 1736 CONECT 1732 1731 1733 1734 CONECT 1733 1732 CONECT 1734 1732 CONECT 1735 1731 CONECT 1736 1731 CONECT 1737 1730 CONECT 1738 1730 CONECT 1739 1696 CONECT 1740 1695 CONECT 1741 1694 CONECT 1742 1693 1743 1758 1759 CONECT 1743 1742 1744 1748 CONECT 1744 1743 1745 1757 CONECT 1745 1744 1746 1756 CONECT 1746 1745 1747 1751 CONECT 1747 1746 1748 1750 CONECT 1748 1743 1747 1749 CONECT 1749 1748 CONECT 1750 1747 CONECT 1751 1746 1752 CONECT 1752 1751 1753 1754 1755 CONECT 1753 1752 CONECT 1754 1752 CONECT 1755 1752 CONECT 1756 1745 CONECT 1757 1744 CONECT 1758 1742 CONECT 1759 1742 CONECT 1760 1689 CONECT 1761 1689 MASTER 0 0 0 0 0 0 0 0 1760 1 77 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1skj
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a07
RCSB PDB
PDBbind
107aa, >1A07_1|Chains... at 99%
1a08
RCSB PDB
PDBbind
107aa, >1A08_1|Chains... at 99%
1a09
RCSB PDB
PDBbind
107aa, >1A09_1|Chains... at 99%
1a1b
RCSB PDB
PDBbind
107aa, >1A1B_1|Chains... at 99%
1a1c
RCSB PDB
PDBbind
107aa, >1A1C_1|Chains... at 99%
1a1e
RCSB PDB
PDBbind
107aa, >1A1E_1|Chains... at 99%
1is0
RCSB PDB
PDBbind
106aa, >1IS0_1|Chains... at 97%
1nlp
RCSB PDB
PDBbind
64aa, >1NLP_1|Chain... at 93%
1nzl
RCSB PDB
PDBbind
103aa, >1NZL_1|Chains... at 97%
1nzv
RCSB PDB
PDBbind
103aa, >1NZV_1|Chains... at 97%
1o41
RCSB PDB
PDBbind
108aa, >1O41_1|Chain... at 100%
1o42
RCSB PDB
PDBbind
108aa, >1O42_1|Chain... at 100%
1o43
RCSB PDB
PDBbind
108aa, >1O43_1|Chain... at 100%
1o44
RCSB PDB
PDBbind
108aa, >1O44_1|Chain... at 100%
1o45
RCSB PDB
PDBbind
108aa, >1O45_1|Chain... at 100%
1o46
RCSB PDB
PDBbind
108aa, >1O46_1|Chain... at 100%
1o47
RCSB PDB
PDBbind
108aa, >1O47_1|Chain... at 100%
1o48
RCSB PDB
PDBbind
108aa, >1O48_1|Chain... at 100%
1o49
RCSB PDB
PDBbind
108aa, >1O49_1|Chain... at 100%
1o4a
RCSB PDB
PDBbind
108aa, >1O4A_1|Chain... at 100%
1o4b
RCSB PDB
PDBbind
108aa, >1O4B_1|Chain... at 100%
1o4d
RCSB PDB
PDBbind
108aa, >1O4D_1|Chain... at 100%
1o4e
RCSB PDB
PDBbind
108aa, >1O4E_1|Chain... at 100%
1o4f
RCSB PDB
PDBbind
108aa, >1O4F_1|Chain... at 100%
1o4g
RCSB PDB
PDBbind
108aa, >1O4G_1|Chain... at 100%
1o4h
RCSB PDB
PDBbind
108aa, >1O4H_1|Chain... at 100%
1o4i
RCSB PDB
PDBbind
108aa, >1O4I_1|Chain... at 100%
1o4j
RCSB PDB
PDBbind
108aa, >1O4J_1|Chain... at 100%
1o4k
RCSB PDB
PDBbind
108aa, >1O4K_1|Chain... at 100%
1o4l
RCSB PDB
PDBbind
108aa, >1O4L_1|Chain... at 100%
1o4m
RCSB PDB
PDBbind
108aa, >1O4M_1|Chain... at 100%
1o4n
RCSB PDB
PDBbind
108aa, >1O4N_1|Chain... at 100%
1o4o
RCSB PDB
PDBbind
108aa, >1O4O_1|Chain... at 100%
1o4p
RCSB PDB
PDBbind
108aa, >1O4P_1|Chain... at 100%
1o4q
RCSB PDB
PDBbind
108aa, >1O4Q_1|Chain... at 100%
1o4r
RCSB PDB
PDBbind
108aa, >1O4R_1|Chain... at 100%
1prl
RCSB PDB
PDBbind
64aa, >1PRL_1|Chain... at 96%
1prm
RCSB PDB
PDBbind
64aa, >1PRM_1|Chain... at 96%
1rlp
RCSB PDB
PDBbind
64aa, >1RLP_1|Chain... at 96%
1rlq
RCSB PDB
PDBbind
64aa, >1RLQ_1|Chain... at 96%
1shd
RCSB PDB
PDBbind
107aa, >1SHD_1|Chain... at 99%
1y57
RCSB PDB
PDBbind
452aa, >1Y57_1|Chain... at 99%
2bdf
RCSB PDB
PDBbind
279aa, >2BDF_1|Chains... at 100%
2bdj
RCSB PDB
PDBbind
279aa, >2BDJ_1|Chain... at 100%
2h8h
RCSB PDB
PDBbind
535aa, >2H8H_1|Chain... *
2hwo
RCSB PDB
PDBbind
286aa, >2HWO_1|Chains... at 97%
2hwp
RCSB PDB
PDBbind
286aa, >2HWP_1|Chains... at 97%
2oiq
RCSB PDB
PDBbind
286aa, >2OIQ_1|Chains... at 98%
2qlq
RCSB PDB
PDBbind
286aa, >2QLQ_1|Chains... at 97%
2qq7
RCSB PDB
PDBbind
286aa, >2QQ7_1|Chains... at 97%
3el7
RCSB PDB
PDBbind
286aa, >3EL7_1|Chain... at 98%
3el8
RCSB PDB
PDBbind
286aa, >3EL8_1|Chains... at 98%
3f3t
RCSB PDB
PDBbind
286aa, >3F3T_1|Chains... at 97%
3f3u
RCSB PDB
PDBbind
286aa, >3F3U_1|Chains... at 97%
3f3v
RCSB PDB
PDBbind
286aa, >3F3V_1|Chains... at 97%
3f3w
RCSB PDB
PDBbind
286aa, >3F3W_1|Chains... at 97%
3g5d
RCSB PDB
PDBbind
286aa, >3G5D_1|Chains... at 97%
3g6g
RCSB PDB
PDBbind
286aa, >3G6G_1|Chains... at 98%
3g6h
RCSB PDB
PDBbind
286aa, >3G6H_1|Chains... at 97%
3lok
RCSB PDB
PDBbind
286aa, >3LOK_1|Chains... at 97%
3svv
RCSB PDB
PDBbind
286aa, >3SVV_1|Chains... at 97%
3u4w
RCSB PDB
PDBbind
275aa, >3U4W_1|Chain... at 99%
3u51
RCSB PDB
PDBbind
275aa, >3U51_1|Chains... at 99%
3uqf
RCSB PDB
PDBbind
286aa, >3UQF_1|Chains... at 98%
3uqg
RCSB PDB
PDBbind
286aa, >3UQG_1|Chains... at 98%
4dgg
RCSB PDB
PDBbind
286aa, >4DGG_1|Chains... at 98%
4fic
RCSB PDB
PDBbind
286aa, >4FIC_1|Chains... at 98%
4hxj
RCSB PDB
PDBbind
60aa, >4HXJ_1|Chains... at 98%
4lgg
RCSB PDB
PDBbind
270aa, >4LGG_1|Chains... at 98%
4lgh
RCSB PDB
PDBbind
277aa, >4LGH_1|Chains... at 98%
4mcv
RCSB PDB
PDBbind
278aa, >4MCV_1|Chains... at 98%
4o2p
RCSB PDB
PDBbind
286aa, >4O2P_1|Chains... at 98%
4u5j
RCSB PDB
PDBbind
286aa, >4U5J_1|Chains... at 98%
4ybj
RCSB PDB
PDBbind
286aa, >4YBJ_1|Chains... at 98%
4ybk
RCSB PDB
PDBbind
286aa, >4YBK_1|Chain... at 98%
5bmm
RCSB PDB
PDBbind
286aa, >5BMM_1|Chains... at 98%
5d10
RCSB PDB
PDBbind
286aa, >5D10_1|Chains... at 97%
5d11
RCSB PDB
PDBbind
286aa, >5D11_1|Chains... at 97%
5d12
RCSB PDB
PDBbind
286aa, >5D12_1|Chains... at 97%
6f3f
RCSB PDB
PDBbind
455aa, >6F3F_1|Chain... at 98%
5xp7
RCSB PDB
PDBbind
286aa, >5XP7_1|Chains... at 98%
5teh
RCSB PDB
PDBbind
286aa, >5TEH_1|Chains... at 97%
5sys
RCSB PDB
PDBbind
286aa, >5SYS_1|Chains... at 97%
5swh
RCSB PDB
PDBbind
286aa, >5SWH_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1skj
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
pp60 v-src tyrosine kinase transforming protein
Ligand Name
UR2
EC.Number
E.C.2.7.1.112
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
IC50=7.0uM
Release Year
1998
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. v40 pp. 3719-25, 1997
Ligand Properties
Formula
C
2
5
H
3
9
N
3
O
1
0
P
Molecular Weight
572.565
Exact Mass
572.237
No. of atoms
78
No. of bonds
79
Polar Surface Area
210.76
LOGP Value
4.01 (
Computed with XLOGP3
)
2.76 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 2
Canonical SMILES
OC(=O)CC[C@@H](C(=O)N(CCCC1CCCCC1)C)NC(=O)N(Cc1ccc(cc1)OP(O)(O)O)CC(=O)O
InChI String
InChI=1S/C25H40N3O10P/c1-27(15-5-8-18-6-3-2-4-7-18)24(33)21(13-14-22(29)30)26-25(34)28(17-23(31)32)16-19-9-11-20(12-10-19)38-39(35,36)37/h9-12,18,21,35-37,39H,2-8,13-17H2,1H3,(H,26,34)(H,29,30)(H,31,32)/t21-/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):
P00524
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com