Browse entries in the PDBbind-CN Database
HEADER 1O43_COMPLEX COMPND 1O43_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 SER ILE GLN ALA GLU GLU TRP TYR PHE GLY LYS ILE THR SEQRES 2 A 106 ARG ARG GLU SER GLU ARG LEU LEU LEU ASN ALA GLU ASN SEQRES 3 A 106 PRO ARG GLY THR PHE LEU VAL ARG GLU SER GLU THR THR SEQRES 4 A 106 LYS GLY ALA TYR CYS LEU SER VAL SER ASP PHE ASP ASN SEQRES 5 A 106 ALA LYS GLY LEU ASN VAL LYS HIS TYR LYS ILE ARG LYS SEQRES 6 A 106 LEU ASP SER GLY GLY PHE TYR ILE THR SER ARG THR GLN SEQRES 7 A 106 PHE ASN SER LEU GLN GLN LEU VAL ALA TYR TYR SER LYS SEQRES 8 A 106 HIS ALA ASP GLY LEU CYS HIS ARG LEU THR THR VAL CYS SEQRES 9 A 106 PRO THR HET UNN A 264 76 ATOM 1 N SER A 1 2.544 13.952 6.063 1.00 49.94 N ATOM 2 CA SER A 1 2.891 15.406 6.042 1.00 49.22 C ATOM 3 C SER A 1 2.945 15.917 7.423 1.00 47.92 C ATOM 4 O SER A 1 1.962 15.818 8.172 1.00 47.53 O ATOM 5 CB SER A 1 1.826 16.242 5.257 1.00 50.10 C ATOM 6 OG SER A 1 2.351 17.504 4.841 1.00 52.11 O ATOM 7 HA SER A 1 3.857 15.507 5.546 1.00 0.00 H ATOM 8 HB2 SER A 1 0.964 16.412 5.902 1.00 0.00 H ATOM 9 HB3 SER A 1 1.514 15.681 4.376 1.00 0.00 H ATOM 10 HG SER A 1 1.653 18.005 4.349 1.00 0.00 H ATOM 11 HN3 SER A 1 1.617 13.825 6.517 1.00 0.00 H ATOM 12 HN2 SER A 1 3.268 13.432 6.598 1.00 0.00 H ATOM 13 HN1 SER A 1 2.506 13.592 5.088 1.00 0.00 H ATOM 14 N ILE A 2 4.099 16.483 7.786 1.00 46.25 N ATOM 15 CA ILE A 2 4.278 17.032 9.127 1.00 44.60 C ATOM 16 C ILE A 2 3.339 18.210 9.380 1.00 42.45 C ATOM 17 O ILE A 2 2.918 18.436 10.500 1.00 41.70 O ATOM 18 CB ILE A 2 5.757 17.410 9.427 1.00 44.53 C ATOM 19 CG1 ILE A 2 6.265 18.417 8.450 1.00 44.06 C ATOM 20 CG2 ILE A 2 6.626 16.173 9.371 1.00 44.80 C ATOM 21 CD1 ILE A 2 7.687 18.840 8.737 1.00 45.16 C ATOM 22 HA ILE A 2 4.012 16.237 9.824 1.00 0.00 H ATOM 23 HB ILE A 2 5.797 17.845 10.425 1.00 0.00 H ATOM 24 HG12 ILE A 2 6.224 17.985 7.450 1.00 0.00 H ATOM 25 HG13 ILE A 2 5.624 19.297 8.491 1.00 0.00 H ATOM 26 HD11 ILE A 2 7.739 19.282 9.732 1.00 0.00 H ATOM 27 HD12 ILE A 2 8.340 17.969 8.690 1.00 0.00 H ATOM 28 HD13 ILE A 2 8.003 19.573 7.995 1.00 0.00 H ATOM 29 HG21 ILE A 2 6.280 15.454 10.114 1.00 0.00 H ATOM 30 HG22 ILE A 2 6.562 15.730 8.377 1.00 0.00 H ATOM 31 HG23 ILE A 2 7.660 16.447 9.582 1.00 0.00 H ATOM 32 H ILE A 2 4.882 16.533 7.103 1.00 0.00 H ATOM 33 N GLN A 3 2.962 18.910 8.318 1.00 41.28 N ATOM 34 CA GLN A 3 2.041 20.045 8.424 1.00 41.56 C ATOM 35 C GLN A 3 0.723 19.521 8.978 1.00 39.13 C ATOM 36 O GLN A 3 -0.040 20.249 9.607 1.00 39.56 O ATOM 37 CB GLN A 3 1.629 20.587 7.026 1.00 44.55 C ATOM 38 CG GLN A 3 2.781 20.801 6.051 1.00 48.74 C ATOM 39 CD GLN A 3 3.485 22.128 6.253 1.00 51.14 C ATOM 40 OE1 GLN A 3 4.383 22.255 7.096 1.00 53.16 O ATOM 41 NE2 GLN A 3 3.103 23.123 5.453 1.00 53.31 N ATOM 42 HA GLN A 3 2.538 20.807 9.025 1.00 0.00 H ATOM 43 HB2 GLN A 3 0.935 19.875 6.579 1.00 0.00 H ATOM 44 HB3 GLN A 3 1.125 21.543 7.169 1.00 0.00 H ATOM 45 HG2 GLN A 3 3.506 19.998 6.187 1.00 0.00 H ATOM 46 HG3 GLN A 3 2.388 20.766 5.035 1.00 0.00 H ATOM 47 HE22 GLN A 3 2.344 22.970 4.759 1.00 0.00 H ATOM 48 HE21 GLN A 3 3.564 24.052 5.522 1.00 0.00 H ATOM 49 H GLN A 3 3.331 18.645 7.382 1.00 0.00 H ATOM 50 N ALA A 4 0.449 18.256 8.695 1.00 35.81 N ATOM 51 CA ALA A 4 -0.764 17.611 9.155 1.00 32.67 C ATOM 52 C ALA A 4 -0.619 17.160 10.613 1.00 30.17 C ATOM 53 O ALA A 4 -1.605 16.861 11.285 1.00 30.68 O ATOM 54 CB ALA A 4 -1.057 16.407 8.263 1.00 33.64 C ATOM 55 HA ALA A 4 -1.589 18.322 9.100 1.00 0.00 H ATOM 56 HB1 ALA A 4 -1.186 16.742 7.234 1.00 0.00 H ATOM 57 HB2 ALA A 4 -0.224 15.706 8.317 1.00 0.00 H ATOM 58 HB3 ALA A 4 -1.969 15.917 8.604 1.00 0.00 H ATOM 59 H ALA A 4 1.126 17.709 8.125 1.00 0.00 H ATOM 60 N GLU A 5 0.614 17.077 11.094 1.00 25.52 N ATOM 61 CA GLU A 5 0.838 16.649 12.459 1.00 22.89 C ATOM 62 C GLU A 5 0.349 17.732 13.497 1.00 21.47 C ATOM 63 O GLU A 5 0.725 18.914 13.430 1.00 20.00 O ATOM 64 CB GLU A 5 2.258 16.267 12.594 1.00 22.93 C ATOM 65 CG GLU A 5 2.714 15.320 11.477 1.00 23.78 C ATOM 66 CD GLU A 5 2.091 13.940 11.602 1.00 25.30 C ATOM 67 OE1 GLU A 5 1.820 13.304 10.561 1.00 27.91 O ATOM 68 OE2 GLU A 5 1.888 13.473 12.742 1.00 26.04 O ATOM 69 HA GLU A 5 0.235 15.772 12.694 1.00 0.00 H ATOM 70 HB2 GLU A 5 2.869 17.169 12.560 1.00 0.00 H ATOM 71 HB3 GLU A 5 2.398 15.770 13.554 1.00 0.00 H ATOM 72 HG2 GLU A 5 2.429 15.748 10.516 1.00 0.00 H ATOM 73 HG3 GLU A 5 3.799 15.221 11.522 1.00 0.00 H ATOM 74 H GLU A 5 1.424 17.320 10.488 1.00 0.00 H ATOM 75 N GLU A 6 -0.434 17.297 14.483 1.00 18.71 N ATOM 76 CA GLU A 6 -0.937 18.243 15.477 1.00 17.78 C ATOM 77 C GLU A 6 0.176 18.857 16.289 1.00 17.43 C ATOM 78 O GLU A 6 -0.013 19.932 16.858 1.00 17.63 O ATOM 79 CB GLU A 6 -1.999 17.605 16.442 1.00 16.38 C ATOM 80 CG GLU A 6 -1.478 16.572 17.421 1.00 16.18 C ATOM 81 CD GLU A 6 -1.278 15.144 16.814 1.00 13.28 C ATOM 82 OE1 GLU A 6 -0.868 14.256 17.578 1.00 16.50 O ATOM 83 OE2 GLU A 6 -1.512 14.926 15.613 1.00 12.41 O ATOM 84 HA GLU A 6 -1.430 19.028 14.903 1.00 0.00 H ATOM 85 HB2 GLU A 6 -2.452 18.412 17.019 1.00 0.00 H ATOM 86 HB3 GLU A 6 -2.762 17.127 15.828 1.00 0.00 H ATOM 87 HG2 GLU A 6 -0.517 16.918 17.802 1.00 0.00 H ATOM 88 HG3 GLU A 6 -2.187 16.495 18.245 1.00 0.00 H ATOM 89 H GLU A 6 -0.686 16.290 14.545 1.00 0.00 H ATOM 90 N TRP A 7 1.312 18.152 16.392 1.00 15.33 N ATOM 91 CA TRP A 7 2.458 18.665 17.158 1.00 15.37 C ATOM 92 C TRP A 7 3.355 19.541 16.335 1.00 14.93 C ATOM 93 O TRP A 7 4.345 20.084 16.859 1.00 14.49 O ATOM 94 CB TRP A 7 3.237 17.508 17.895 1.00 15.21 C ATOM 95 CG TRP A 7 3.461 16.299 17.063 1.00 14.21 C ATOM 96 CD1 TRP A 7 2.788 15.111 17.149 1.00 14.39 C ATOM 97 CD2 TRP A 7 4.403 16.152 15.986 1.00 14.29 C ATOM 98 NE1 TRP A 7 3.247 14.242 16.187 1.00 14.23 N ATOM 99 CE2 TRP A 7 4.232 14.855 15.459 1.00 13.75 C ATOM 100 CE3 TRP A 7 5.370 16.995 15.410 1.00 13.58 C ATOM 101 CZ2 TRP A 7 4.988 14.384 14.386 1.00 14.47 C ATOM 102 CZ3 TRP A 7 6.115 16.526 14.341 1.00 13.12 C ATOM 103 CH2 TRP A 7 5.921 15.237 13.837 1.00 15.41 C ATOM 104 HA TRP A 7 2.053 19.310 17.938 1.00 0.00 H ATOM 105 HB2 TRP A 7 4.208 17.894 18.207 1.00 0.00 H ATOM 106 HB3 TRP A 7 2.664 17.216 18.775 1.00 0.00 H ATOM 107 HE1 TRP A 7 2.901 13.273 16.036 1.00 0.00 H ATOM 108 HD1 TRP A 7 2.004 14.887 17.873 1.00 0.00 H ATOM 109 HZ2 TRP A 7 4.846 13.376 13.995 1.00 0.00 H ATOM 110 HH2 TRP A 7 6.520 14.899 12.992 1.00 0.00 H ATOM 111 HZ3 TRP A 7 6.865 17.173 13.885 1.00 0.00 H ATOM 112 HE3 TRP A 7 5.530 18.001 15.798 1.00 0.00 H ATOM 113 H TRP A 7 1.384 17.227 15.922 1.00 0.00 H ATOM 114 N TYR A 8 3.050 19.675 15.045 1.00 13.46 N ATOM 115 CA TYR A 8 3.869 20.539 14.207 1.00 14.84 C ATOM 116 C TYR A 8 3.250 21.937 14.232 1.00 15.85 C ATOM 117 O TYR A 8 2.187 22.171 13.627 1.00 15.47 O ATOM 118 CB TYR A 8 3.897 20.117 12.776 1.00 15.08 C ATOM 119 CG TYR A 8 4.904 20.913 11.965 1.00 17.91 C ATOM 120 CD1 TYR A 8 6.270 20.847 12.272 1.00 18.54 C ATOM 121 CD2 TYR A 8 4.503 21.762 10.920 1.00 18.97 C ATOM 122 CE1 TYR A 8 7.217 21.607 11.564 1.00 19.58 C ATOM 123 CE2 TYR A 8 5.453 22.531 10.200 1.00 19.42 C ATOM 124 CZ TYR A 8 6.805 22.442 10.539 1.00 20.55 C ATOM 125 OH TYR A 8 7.759 23.187 9.887 1.00 22.66 O ATOM 126 HA TYR A 8 4.885 20.498 14.600 1.00 0.00 H ATOM 127 HB3 TYR A 8 2.906 20.263 12.347 1.00 0.00 H ATOM 128 HB2 TYR A 8 4.161 19.061 12.726 1.00 0.00 H ATOM 129 HD2 TYR A 8 3.447 21.831 10.659 1.00 0.00 H ATOM 130 HE2 TYR A 8 5.131 23.185 9.390 1.00 0.00 H ATOM 131 HE1 TYR A 8 8.274 21.539 11.821 1.00 0.00 H ATOM 132 HD1 TYR A 8 6.605 20.193 13.077 1.00 0.00 H ATOM 133 HH TYR A 8 7.560 24.150 10.002 1.00 0.00 H ATOM 134 H TYR A 8 2.236 19.168 14.641 1.00 0.00 H ATOM 135 N PHE A 9 3.907 22.848 14.948 1.00 15.27 N ATOM 136 CA PHE A 9 3.447 24.232 15.069 1.00 17.00 C ATOM 137 C PHE A 9 3.972 25.169 13.965 1.00 17.36 C ATOM 138 O PHE A 9 3.727 26.377 13.989 1.00 18.28 O ATOM 139 CB PHE A 9 3.745 24.791 16.496 1.00 15.74 C ATOM 140 CG PHE A 9 2.810 24.269 17.568 1.00 16.09 C ATOM 141 CD1 PHE A 9 2.305 22.962 17.521 1.00 15.72 C ATOM 142 CD2 PHE A 9 2.458 25.065 18.636 1.00 16.71 C ATOM 143 CE1 PHE A 9 1.467 22.473 18.542 1.00 14.61 C ATOM 144 CE2 PHE A 9 1.622 24.580 19.656 1.00 17.81 C ATOM 145 CZ PHE A 9 1.129 23.274 19.601 1.00 16.29 C ATOM 146 HA PHE A 9 2.367 24.206 14.923 1.00 0.00 H ATOM 147 HB2 PHE A 9 4.765 24.517 16.766 1.00 0.00 H ATOM 148 HB3 PHE A 9 3.659 25.877 16.464 1.00 0.00 H ATOM 149 HD2 PHE A 9 2.834 26.087 18.691 1.00 0.00 H ATOM 150 HE2 PHE A 9 1.357 25.225 20.494 1.00 0.00 H ATOM 151 HZ PHE A 9 0.482 22.896 20.393 1.00 0.00 H ATOM 152 HE1 PHE A 9 1.086 21.453 18.489 1.00 0.00 H ATOM 153 HD1 PHE A 9 2.564 22.315 16.683 1.00 0.00 H ATOM 154 H PHE A 9 4.779 22.565 15.439 1.00 0.00 H ATOM 155 N GLY A 10 4.693 24.601 13.011 1.00 17.41 N ATOM 156 CA GLY A 10 5.203 25.383 11.914 1.00 18.14 C ATOM 157 C GLY A 10 5.986 26.617 12.305 1.00 19.28 C ATOM 158 O GLY A 10 6.890 26.597 13.145 1.00 19.35 O ATOM 159 HA3 GLY A 10 4.357 25.701 11.305 1.00 0.00 H ATOM 160 HA2 GLY A 10 5.857 24.744 11.320 1.00 0.00 H ATOM 161 H GLY A 10 4.893 23.581 13.054 1.00 0.00 H ATOM 162 N LYS A 11 5.621 27.719 11.689 1.00 20.02 N ATOM 163 CA LYS A 11 6.312 28.940 11.934 1.00 21.84 C ATOM 164 C LYS A 11 5.857 29.708 13.157 1.00 21.90 C ATOM 165 O LYS A 11 5.005 30.588 13.048 1.00 24.78 O ATOM 166 CB LYS A 11 6.287 29.773 10.651 1.00 24.65 C ATOM 167 CG LYS A 11 7.157 30.997 10.724 1.00 28.32 C ATOM 168 CD LYS A 11 7.106 31.756 9.432 1.00 29.44 C ATOM 169 CE LYS A 11 8.144 32.847 9.457 1.00 29.69 C ATOM 170 NZ LYS A 11 7.640 34.009 8.679 1.00 30.68 N ATOM 171 HA LYS A 11 7.341 28.691 12.194 1.00 0.00 H ATOM 172 HB2 LYS A 11 6.633 29.150 9.826 1.00 0.00 H ATOM 173 HB3 LYS A 11 5.261 30.088 10.461 1.00 0.00 H ATOM 174 HG2 LYS A 11 6.806 31.639 11.532 1.00 0.00 H ATOM 175 HG3 LYS A 11 8.185 30.695 10.923 1.00 0.00 H ATOM 176 HD2 LYS A 11 7.309 31.078 8.603 1.00 0.00 H ATOM 177 HD3 LYS A 11 6.117 32.196 9.306 1.00 0.00 H ATOM 178 HE2 LYS A 11 9.070 32.482 9.012 1.00 0.00 H ATOM 179 HE3 LYS A 11 8.332 33.150 10.487 1.00 0.00 H ATOM 180 HZ1 LYS A 11 7.461 33.716 7.697 1.00 0.00 H ATOM 181 HZ2 LYS A 11 6.757 34.354 9.106 1.00 0.00 H ATOM 182 HZ3 LYS A 11 8.351 34.768 8.691 1.00 0.00 H ATOM 183 H LYS A 11 4.825 27.699 11.020 1.00 0.00 H ATOM 184 N ILE A 12 6.298 29.299 14.335 1.00 19.42 N ATOM 185 CA ILE A 12 6.006 30.057 15.545 1.00 17.67 C ATOM 186 C ILE A 12 7.401 30.306 16.101 1.00 16.39 C ATOM 187 O ILE A 12 8.323 29.536 15.828 1.00 16.19 O ATOM 188 CB ILE A 12 5.099 29.330 16.554 1.00 17.59 C ATOM 189 CG1 ILE A 12 5.730 28.081 17.048 1.00 17.36 C ATOM 190 CG2 ILE A 12 3.758 29.021 15.898 1.00 19.29 C ATOM 191 CD1 ILE A 12 5.285 27.757 18.436 1.00 17.73 C ATOM 192 HA ILE A 12 5.431 30.960 15.338 1.00 0.00 H ATOM 193 HB ILE A 12 4.945 29.983 17.413 1.00 0.00 H ATOM 194 HG12 ILE A 12 5.456 27.259 16.387 1.00 0.00 H ATOM 195 HG13 ILE A 12 6.813 28.204 17.042 1.00 0.00 H ATOM 196 HD11 ILE A 12 5.561 28.572 19.104 1.00 0.00 H ATOM 197 HD12 ILE A 12 4.203 27.626 18.448 1.00 0.00 H ATOM 198 HD13 ILE A 12 5.767 26.836 18.765 1.00 0.00 H ATOM 199 HG21 ILE A 12 3.284 29.952 15.587 1.00 0.00 H ATOM 200 HG22 ILE A 12 3.919 28.385 15.028 1.00 0.00 H ATOM 201 HG23 ILE A 12 3.116 28.506 16.612 1.00 0.00 H ATOM 202 H ILE A 12 6.860 28.426 14.399 1.00 0.00 H ATOM 203 N THR A 13 7.568 31.397 16.835 1.00 14.82 N ATOM 204 CA THR A 13 8.863 31.775 17.382 1.00 13.68 C ATOM 205 C THR A 13 9.203 31.021 18.606 1.00 14.02 C ATOM 206 O THR A 13 8.352 30.420 19.254 1.00 13.41 O ATOM 207 CB THR A 13 8.888 33.275 17.787 1.00 12.75 C ATOM 208 OG1 THR A 13 7.944 33.483 18.844 1.00 13.23 O ATOM 209 CG2 THR A 13 8.553 34.188 16.589 1.00 12.05 C ATOM 210 HA THR A 13 9.578 31.558 16.589 1.00 0.00 H ATOM 211 HB THR A 13 9.892 33.532 18.124 1.00 0.00 H ATOM 212 HG1 THR A 13 7.039 33.235 18.530 1.00 0.00 H ATOM 213 HG23 THR A 13 9.278 34.020 15.792 1.00 0.00 H ATOM 214 HG21 THR A 13 7.552 33.956 16.226 1.00 0.00 H ATOM 215 HG22 THR A 13 8.594 35.230 16.906 1.00 0.00 H ATOM 216 H THR A 13 6.745 32.004 17.027 1.00 0.00 H ATOM 217 N ARG A 14 10.478 31.089 18.973 1.00 14.34 N ATOM 218 CA ARG A 14 10.961 30.470 20.185 1.00 14.54 C ATOM 219 C ARG A 14 10.193 31.019 21.424 1.00 15.25 C ATOM 220 O ARG A 14 9.782 30.263 22.309 1.00 14.80 O ATOM 221 CB ARG A 14 12.482 30.818 20.394 1.00 14.76 C ATOM 222 CG ARG A 14 12.977 30.560 21.804 1.00 15.13 C ATOM 223 CD ARG A 14 14.459 30.917 21.942 1.00 16.03 C ATOM 224 NE ARG A 14 15.251 29.933 21.234 1.00 18.40 N ATOM 225 CZ ARG A 14 16.191 29.194 21.792 1.00 18.52 C ATOM 226 NH1 ARG A 14 16.828 28.305 21.047 1.00 19.56 N ATOM 227 NH2 ARG A 14 16.506 29.360 23.071 1.00 18.93 N ATOM 228 HA ARG A 14 10.812 29.394 20.090 1.00 0.00 H ATOM 229 HB2 ARG A 14 13.072 30.213 19.706 1.00 0.00 H ATOM 230 HB3 ARG A 14 12.629 31.874 20.165 1.00 0.00 H ATOM 231 HG2 ARG A 14 12.398 31.166 22.501 1.00 0.00 H ATOM 232 HG3 ARG A 14 12.841 29.505 22.042 1.00 0.00 H ATOM 233 HD2 ARG A 14 14.737 30.920 22.996 1.00 0.00 H ATOM 234 HD3 ARG A 14 14.638 31.905 21.517 1.00 0.00 H ATOM 235 HE ARG A 14 15.067 29.800 20.219 1.00 0.00 H ATOM 236 HH12 ARG A 14 17.572 27.712 21.467 1.00 0.00 H ATOM 237 HH11 ARG A 14 16.584 28.199 20.042 1.00 0.00 H ATOM 238 HH22 ARG A 14 17.248 28.774 23.504 1.00 0.00 H ATOM 239 HH21 ARG A 14 16.011 30.076 23.640 1.00 0.00 H ATOM 240 H ARG A 14 11.149 31.604 18.368 1.00 0.00 H ATOM 241 N ARG A 15 10.032 32.342 21.482 1.00 14.96 N ATOM 242 CA ARG A 15 9.370 32.974 22.623 1.00 14.07 C ATOM 243 C ARG A 15 7.939 32.508 22.757 1.00 12.70 C ATOM 244 O ARG A 15 7.471 32.316 23.871 1.00 13.68 O ATOM 245 CB ARG A 15 9.464 34.561 22.532 1.00 14.76 C ATOM 246 CG ARG A 15 8.795 35.240 23.715 1.00 16.69 C ATOM 247 CD ARG A 15 8.875 36.744 23.687 1.00 18.61 C ATOM 248 NE ARG A 15 8.201 37.341 24.844 1.00 19.83 N ATOM 249 CZ ARG A 15 8.733 37.464 26.067 1.00 22.66 C ATOM 250 NH1 ARG A 15 9.977 37.039 26.332 1.00 21.43 N ATOM 251 NH2 ARG A 15 7.998 37.968 27.062 1.00 23.44 N ATOM 252 HA ARG A 15 9.896 32.665 23.526 1.00 0.00 H ATOM 253 HB2 ARG A 15 10.515 34.851 22.508 1.00 0.00 H ATOM 254 HB3 ARG A 15 8.976 34.891 21.615 1.00 0.00 H ATOM 255 HG2 ARG A 15 7.744 34.953 23.725 1.00 0.00 H ATOM 256 HG3 ARG A 15 9.275 34.888 24.628 1.00 0.00 H ATOM 257 HD2 ARG A 15 8.401 37.107 22.775 1.00 0.00 H ATOM 258 HD3 ARG A 15 9.923 37.043 23.694 1.00 0.00 H ATOM 259 HE ARG A 15 7.234 37.697 24.704 1.00 0.00 H ATOM 260 HH12 ARG A 15 10.370 37.145 27.289 1.00 0.00 H ATOM 261 HH11 ARG A 15 10.549 36.604 25.580 1.00 0.00 H ATOM 262 HH22 ARG A 15 8.407 38.065 28.013 1.00 0.00 H ATOM 263 HH21 ARG A 15 7.017 38.263 26.886 1.00 0.00 H ATOM 264 H ARG A 15 10.383 32.934 20.703 1.00 0.00 H ATOM 265 N GLU A 16 7.242 32.378 21.629 1.00 13.90 N ATOM 266 CA GLU A 16 5.845 31.907 21.630 1.00 15.08 C ATOM 267 C GLU A 16 5.803 30.421 22.131 1.00 14.71 C ATOM 268 O GLU A 16 4.942 30.069 22.956 1.00 14.10 O ATOM 269 CB GLU A 16 5.212 32.042 20.208 1.00 17.20 C ATOM 270 CG GLU A 16 3.798 31.465 20.029 1.00 20.84 C ATOM 271 CD GLU A 16 2.749 32.065 20.999 1.00 23.68 C ATOM 272 OE1 GLU A 16 1.576 31.632 20.912 1.00 26.35 O ATOM 273 OE2 GLU A 16 3.078 32.934 21.836 1.00 24.53 O ATOM 274 HA GLU A 16 5.255 32.526 22.306 1.00 0.00 H ATOM 275 HB2 GLU A 16 5.170 33.103 19.963 1.00 0.00 H ATOM 276 HB3 GLU A 16 5.869 31.533 19.503 1.00 0.00 H ATOM 277 HG2 GLU A 16 3.473 31.662 19.007 1.00 0.00 H ATOM 278 HG3 GLU A 16 3.843 30.388 20.194 1.00 0.00 H ATOM 279 H GLU A 16 7.696 32.615 20.724 1.00 0.00 H ATOM 280 N SER A 17 6.729 29.590 21.644 1.00 12.69 N ATOM 281 CA SER A 17 6.784 28.206 22.108 1.00 12.54 C ATOM 282 C SER A 17 6.982 28.202 23.630 1.00 12.13 C ATOM 283 O SER A 17 6.350 27.407 24.356 1.00 12.37 O ATOM 284 CB SER A 17 7.887 27.410 21.345 1.00 13.16 C ATOM 285 OG SER A 17 9.192 27.684 21.850 1.00 16.85 O ATOM 286 HA SER A 17 5.846 27.696 21.891 1.00 0.00 H ATOM 287 HB2 SER A 17 7.853 27.684 20.291 1.00 0.00 H ATOM 288 HB3 SER A 17 7.686 26.344 21.448 1.00 0.00 H ATOM 289 HG SER A 17 9.386 28.650 21.754 1.00 0.00 H ATOM 290 H SER A 17 7.410 29.928 20.935 1.00 0.00 H ATOM 291 N GLU A 18 7.839 29.095 24.140 1.00 11.08 N ATOM 292 CA GLU A 18 8.051 29.162 25.585 1.00 12.21 C ATOM 293 C GLU A 18 6.808 29.695 26.307 1.00 12.46 C ATOM 294 O GLU A 18 6.486 29.246 27.405 1.00 13.05 O ATOM 295 CB GLU A 18 9.284 29.995 25.931 1.00 13.05 C ATOM 296 CG GLU A 18 10.545 29.383 25.313 1.00 13.98 C ATOM 297 CD GLU A 18 11.812 30.212 25.540 1.00 17.01 C ATOM 298 OE1 GLU A 18 12.912 29.648 25.415 1.00 17.20 O ATOM 299 OE2 GLU A 18 11.719 31.418 25.840 1.00 17.49 O ATOM 300 HA GLU A 18 8.230 28.145 25.934 1.00 0.00 H ATOM 301 HB2 GLU A 18 9.152 31.006 25.546 1.00 0.00 H ATOM 302 HB3 GLU A 18 9.398 30.032 27.014 1.00 0.00 H ATOM 303 HG2 GLU A 18 10.697 28.396 25.750 1.00 0.00 H ATOM 304 HG3 GLU A 18 10.388 29.283 24.239 1.00 0.00 H ATOM 305 H GLU A 18 8.354 29.741 23.508 1.00 0.00 H ATOM 306 N ARG A 19 6.114 30.651 25.700 1.00 12.35 N ATOM 307 CA ARG A 19 4.920 31.196 26.340 1.00 14.79 C ATOM 308 C ARG A 19 3.857 29.977 26.529 1.00 14.10 C ATOM 309 O ARG A 19 3.282 29.784 27.593 1.00 14.10 O ATOM 310 CB ARG A 19 4.284 32.312 25.475 1.00 15.30 C ATOM 311 CG ARG A 19 3.133 33.007 26.203 1.00 17.46 C ATOM 312 CD ARG A 19 2.400 33.981 25.291 1.00 18.63 C ATOM 313 NE ARG A 19 1.722 33.329 24.168 1.00 21.78 N ATOM 314 CZ ARG A 19 0.555 32.687 24.238 1.00 21.56 C ATOM 315 NH1 ARG A 19 -0.101 32.597 25.388 1.00 23.39 N ATOM 316 NH2 ARG A 19 0.025 32.158 23.147 1.00 21.16 N ATOM 317 HA ARG A 19 5.188 31.634 27.301 1.00 0.00 H ATOM 318 HB2 ARG A 19 5.048 33.051 25.235 1.00 0.00 H ATOM 319 HB3 ARG A 19 3.904 31.871 24.553 1.00 0.00 H ATOM 320 HG2 ARG A 19 2.429 32.252 26.554 1.00 0.00 H ATOM 321 HG3 ARG A 19 3.533 33.554 27.057 1.00 0.00 H ATOM 322 HD2 ARG A 19 3.123 34.692 24.892 1.00 0.00 H ATOM 323 HD3 ARG A 19 1.655 34.514 25.882 1.00 0.00 H ATOM 324 HE ARG A 19 2.189 33.370 23.240 1.00 0.00 H ATOM 325 HH12 ARG A 19 -1.010 32.094 25.430 1.00 0.00 H ATOM 326 HH11 ARG A 19 0.294 33.030 26.247 1.00 0.00 H ATOM 327 HH22 ARG A 19 -0.885 31.657 23.201 1.00 0.00 H ATOM 328 HH21 ARG A 19 0.518 32.243 22.235 1.00 0.00 H ATOM 329 H ARG A 19 6.420 31.010 24.773 1.00 0.00 H ATOM 330 N LEU A 20 3.739 29.162 25.495 1.00 13.90 N ATOM 331 CA LEU A 20 2.841 28.035 25.507 1.00 13.70 C ATOM 332 C LEU A 20 3.305 26.909 26.462 1.00 14.85 C ATOM 333 O LEU A 20 2.498 26.340 27.208 1.00 15.13 O ATOM 334 CB LEU A 20 2.690 27.517 24.097 1.00 14.67 C ATOM 335 CG LEU A 20 1.934 28.467 23.090 1.00 14.71 C ATOM 336 CD1 LEU A 20 1.951 27.866 21.711 1.00 15.60 C ATOM 337 CD2 LEU A 20 0.519 28.716 23.578 1.00 16.22 C ATOM 338 HA LEU A 20 1.877 28.373 25.888 1.00 0.00 H ATOM 339 HB2 LEU A 20 3.688 27.335 23.699 1.00 0.00 H ATOM 340 HB3 LEU A 20 2.142 26.576 24.144 1.00 0.00 H ATOM 341 HG LEU A 20 2.442 29.430 23.040 1.00 0.00 H ATOM 342 HD21 LEU A 20 -0.013 27.767 23.646 1.00 0.00 H ATOM 343 HD22 LEU A 20 0.552 29.186 24.561 1.00 0.00 H ATOM 344 HD23 LEU A 20 0.004 29.373 22.877 1.00 0.00 H ATOM 345 HD11 LEU A 20 2.983 27.741 21.383 1.00 0.00 H ATOM 346 HD12 LEU A 20 1.455 26.896 21.733 1.00 0.00 H ATOM 347 HD13 LEU A 20 1.427 28.528 21.021 1.00 0.00 H ATOM 348 H LEU A 20 4.312 29.340 24.646 1.00 0.00 H ATOM 349 N LEU A 21 4.604 26.617 26.472 1.00 14.12 N ATOM 350 CA LEU A 21 5.116 25.538 27.307 1.00 13.29 C ATOM 351 C LEU A 21 5.238 25.863 28.739 1.00 13.69 C ATOM 352 O LEU A 21 5.129 24.983 29.584 1.00 13.86 O ATOM 353 CB LEU A 21 6.423 24.973 26.686 1.00 12.42 C ATOM 354 CG LEU A 21 6.274 24.284 25.323 1.00 12.03 C ATOM 355 CD1 LEU A 21 7.633 24.265 24.596 1.00 12.98 C ATOM 356 CD2 LEU A 21 5.718 22.874 25.496 1.00 10.38 C ATOM 357 HA LEU A 21 4.362 24.751 27.308 1.00 0.00 H ATOM 358 HB2 LEU A 21 7.122 25.801 26.567 1.00 0.00 H ATOM 359 HB3 LEU A 21 6.838 24.246 27.384 1.00 0.00 H ATOM 360 HG LEU A 21 5.567 24.845 24.713 1.00 0.00 H ATOM 361 HD21 LEU A 21 6.398 22.290 26.116 1.00 0.00 H ATOM 362 HD22 LEU A 21 4.741 22.927 25.976 1.00 0.00 H ATOM 363 HD23 LEU A 21 5.619 22.401 24.519 1.00 0.00 H ATOM 364 HD11 LEU A 21 7.978 25.288 24.447 1.00 0.00 H ATOM 365 HD12 LEU A 21 8.359 23.719 25.199 1.00 0.00 H ATOM 366 HD13 LEU A 21 7.520 23.774 23.629 1.00 0.00 H ATOM 367 H LEU A 21 5.259 27.164 25.878 1.00 0.00 H ATOM 368 N LEU A 22 5.456 27.129 29.066 1.00 13.39 N ATOM 369 CA LEU A 22 5.591 27.524 30.459 1.00 15.78 C ATOM 370 C LEU A 22 4.291 27.679 31.167 1.00 17.37 C ATOM 371 O LEU A 22 4.028 28.721 31.743 1.00 20.56 O ATOM 372 CB LEU A 22 6.407 28.850 30.572 1.00 16.18 C ATOM 373 CG LEU A 22 7.873 28.749 30.189 1.00 17.78 C ATOM 374 CD1 LEU A 22 8.496 30.143 29.984 1.00 17.18 C ATOM 375 CD2 LEU A 22 8.595 27.982 31.316 1.00 19.39 C ATOM 376 HA LEU A 22 6.122 26.708 30.949 1.00 0.00 H ATOM 377 HB2 LEU A 22 5.940 29.589 29.921 1.00 0.00 H ATOM 378 HB3 LEU A 22 6.352 29.192 31.606 1.00 0.00 H ATOM 379 HG LEU A 22 7.977 28.220 29.241 1.00 0.00 H ATOM 380 HD21 LEU A 22 8.482 28.526 32.254 1.00 0.00 H ATOM 381 HD22 LEU A 22 8.158 26.989 31.416 1.00 0.00 H ATOM 382 HD23 LEU A 22 9.653 27.891 31.072 1.00 0.00 H ATOM 383 HD11 LEU A 22 7.964 30.664 29.188 1.00 0.00 H ATOM 384 HD12 LEU A 22 8.417 30.714 30.909 1.00 0.00 H ATOM 385 HD13 LEU A 22 9.546 30.034 29.711 1.00 0.00 H ATOM 386 H LEU A 22 5.531 27.848 28.318 1.00 0.00 H ATOM 387 N ASN A 23 3.414 26.699 31.036 1.00 17.55 N ATOM 388 CA ASN A 23 2.113 26.718 31.707 1.00 17.66 C ATOM 389 C ASN A 23 2.222 25.646 32.842 1.00 17.83 C ATOM 390 O ASN A 23 2.654 24.521 32.589 1.00 17.68 O ATOM 391 CB ASN A 23 1.040 26.332 30.742 1.00 18.64 C ATOM 392 CG ASN A 23 -0.347 26.382 31.370 1.00 19.96 C ATOM 393 OD1 ASN A 23 -0.557 25.941 32.493 1.00 20.11 O ATOM 394 ND2 ASN A 23 -1.290 26.961 30.652 1.00 23.73 N ATOM 395 HA ASN A 23 1.865 27.705 32.098 1.00 0.00 H ATOM 396 HB2 ASN A 23 1.067 27.018 29.895 1.00 0.00 H ATOM 397 HB3 ASN A 23 1.231 25.317 30.393 1.00 0.00 H ATOM 398 HD22 ASN A 23 -1.072 27.323 29.702 1.00 0.00 H ATOM 399 HD21 ASN A 23 -2.252 27.056 31.036 1.00 0.00 H ATOM 400 H ASN A 23 3.657 25.886 30.435 1.00 0.00 H ATOM 401 N ALA A 24 1.890 26.023 34.072 1.00 17.46 N ATOM 402 CA ALA A 24 1.968 25.130 35.218 1.00 16.92 C ATOM 403 C ALA A 24 1.214 23.810 35.025 1.00 16.68 C ATOM 404 O ALA A 24 1.488 22.829 35.726 1.00 15.94 O ATOM 405 CB ALA A 24 1.450 25.840 36.465 1.00 18.27 C ATOM 406 HA ALA A 24 3.021 24.871 35.332 1.00 0.00 H ATOM 407 HB1 ALA A 24 2.057 26.725 36.656 1.00 0.00 H ATOM 408 HB2 ALA A 24 0.413 26.136 36.309 1.00 0.00 H ATOM 409 HB3 ALA A 24 1.512 25.165 37.318 1.00 0.00 H ATOM 410 H ALA A 24 1.560 26.998 34.222 1.00 0.00 H ATOM 411 N GLU A 25 0.234 23.809 34.130 1.00 15.87 N ATOM 412 CA GLU A 25 -0.536 22.607 33.854 1.00 15.36 C ATOM 413 C GLU A 25 0.170 21.641 32.978 1.00 15.12 C ATOM 414 O GLU A 25 -0.260 20.493 32.851 1.00 14.82 O ATOM 415 CB GLU A 25 -1.826 22.960 33.207 1.00 15.97 C ATOM 416 CG GLU A 25 -2.741 23.654 34.201 1.00 19.94 C ATOM 417 CD GLU A 25 -4.109 23.998 33.660 1.00 22.19 C ATOM 418 OE1 GLU A 25 -4.813 24.747 34.366 1.00 23.94 O ATOM 419 OE2 GLU A 25 -4.478 23.542 32.550 1.00 25.34 O ATOM 420 HA GLU A 25 -0.695 22.130 34.821 1.00 0.00 H ATOM 421 HB2 GLU A 25 -1.636 23.627 32.366 1.00 0.00 H ATOM 422 HB3 GLU A 25 -2.309 22.051 32.847 1.00 0.00 H ATOM 423 HG2 GLU A 25 -2.870 22.997 35.061 1.00 0.00 H ATOM 424 HG3 GLU A 25 -2.259 24.578 34.520 1.00 0.00 H ATOM 425 H GLU A 25 0.012 24.685 33.616 1.00 0.00 H ATOM 426 N ASN A 26 1.292 22.044 32.387 1.00 13.35 N ATOM 427 CA ASN A 26 1.995 21.137 31.482 1.00 13.29 C ATOM 428 C ASN A 26 2.911 20.147 32.205 1.00 13.40 C ATOM 429 O ASN A 26 3.773 20.554 32.976 1.00 13.52 O ATOM 430 CB ASN A 26 2.863 21.927 30.480 1.00 12.20 C ATOM 431 CG ASN A 26 2.040 22.675 29.442 1.00 13.50 C ATOM 432 OD1 ASN A 26 0.943 22.255 29.096 1.00 13.68 O ATOM 433 ND2 ASN A 26 2.608 23.729 28.871 1.00 12.70 N ATOM 434 HA ASN A 26 1.211 20.577 30.972 1.00 0.00 H ATOM 435 HB2 ASN A 26 3.463 22.649 31.034 1.00 0.00 H ATOM 436 HB3 ASN A 26 3.522 21.228 29.964 1.00 0.00 H ATOM 437 HD22 ASN A 26 3.541 24.055 29.193 1.00 0.00 H ATOM 438 HD21 ASN A 26 2.120 24.229 28.101 1.00 0.00 H ATOM 439 H ASN A 26 1.666 22.997 32.568 1.00 0.00 H ATOM 440 N PRO A 27 2.703 18.835 32.011 1.00 12.96 N ATOM 441 CA PRO A 27 3.587 17.880 32.698 1.00 13.04 C ATOM 442 C PRO A 27 4.974 17.832 31.909 1.00 11.83 C ATOM 443 O PRO A 27 5.066 18.348 30.766 1.00 11.40 O ATOM 444 CB PRO A 27 2.760 16.531 32.651 1.00 13.01 C ATOM 445 CG PRO A 27 2.036 16.625 31.401 1.00 15.71 C ATOM 446 CD PRO A 27 1.630 18.127 31.273 1.00 13.93 C ATOM 447 HA PRO A 27 3.851 18.122 33.727 1.00 0.00 H ATOM 448 HD3 PRO A 27 1.604 18.437 30.228 1.00 0.00 H ATOM 449 HD2 PRO A 27 0.657 18.309 31.729 1.00 0.00 H ATOM 450 HG3 PRO A 27 1.150 15.990 31.424 1.00 0.00 H ATOM 451 HG2 PRO A 27 2.673 16.329 30.567 1.00 0.00 H ATOM 452 HB2 PRO A 27 3.423 15.666 32.654 1.00 0.00 H ATOM 453 HB3 PRO A 27 2.074 16.464 33.495 1.00 0.00 H ATOM 454 N ARG A 28 5.995 17.206 32.496 1.00 11.15 N ATOM 455 CA ARG A 28 7.262 17.107 31.800 1.00 12.05 C ATOM 456 C ARG A 28 7.058 16.432 30.474 1.00 11.07 C ATOM 457 O ARG A 28 6.226 15.539 30.342 1.00 11.42 O ATOM 458 CB ARG A 28 8.281 16.303 32.617 1.00 12.73 C ATOM 459 CG ARG A 28 8.527 16.869 33.973 1.00 16.24 C ATOM 460 CD ARG A 28 9.391 15.960 34.785 1.00 21.27 C ATOM 461 NE ARG A 28 10.768 16.024 34.296 1.00 25.95 N ATOM 462 CZ ARG A 28 11.731 15.145 34.577 1.00 27.91 C ATOM 463 NH1 ARG A 28 11.474 14.085 35.343 1.00 27.90 N ATOM 464 NH2 ARG A 28 12.978 15.381 34.163 1.00 27.62 N ATOM 465 HA ARG A 28 7.648 18.116 31.655 1.00 0.00 H ATOM 466 HB2 ARG A 28 7.909 15.285 32.729 1.00 0.00 H ATOM 467 HB3 ARG A 28 9.225 16.286 32.072 1.00 0.00 H ATOM 468 HG2 ARG A 28 9.022 17.835 33.872 1.00 0.00 H ATOM 469 HG3 ARG A 28 7.573 17.003 34.482 1.00 0.00 H ATOM 470 HD2 ARG A 28 9.023 14.938 34.700 1.00 0.00 H ATOM 471 HD3 ARG A 28 9.362 16.269 35.830 1.00 0.00 H ATOM 472 HE ARG A 28 11.017 16.822 33.677 1.00 0.00 H ATOM 473 HH12 ARG A 28 12.230 13.403 35.558 1.00 0.00 H ATOM 474 HH11 ARG A 28 10.518 13.939 35.726 1.00 0.00 H ATOM 475 HH22 ARG A 28 13.735 14.701 34.378 1.00 0.00 H ATOM 476 HH21 ARG A 28 13.193 16.245 33.626 1.00 0.00 H ATOM 477 H ARG A 28 5.883 16.793 33.444 1.00 0.00 H ATOM 478 N GLY A 29 7.791 16.869 29.464 1.00 9.70 N ATOM 479 CA GLY A 29 7.672 16.254 28.161 1.00 8.90 C ATOM 480 C GLY A 29 6.626 16.818 27.224 1.00 8.86 C ATOM 481 O GLY A 29 6.473 16.331 26.110 1.00 9.67 O ATOM 482 HA3 GLY A 29 7.441 15.200 28.315 1.00 0.00 H ATOM 483 HA2 GLY A 29 8.639 16.344 27.666 1.00 0.00 H ATOM 484 H GLY A 29 8.455 17.657 29.607 1.00 0.00 H ATOM 485 N THR A 30 5.882 17.829 27.679 1.00 9.44 N ATOM 486 CA THR A 30 4.916 18.494 26.804 1.00 10.49 C ATOM 487 C THR A 30 5.795 19.097 25.667 1.00 10.31 C ATOM 488 O THR A 30 6.839 19.720 25.922 1.00 12.23 O ATOM 489 CB THR A 30 4.123 19.604 27.557 1.00 9.53 C ATOM 490 OG1 THR A 30 3.400 19.003 28.643 1.00 11.69 O ATOM 491 CG2 THR A 30 3.161 20.308 26.610 1.00 10.58 C ATOM 492 HA THR A 30 4.156 17.808 26.430 1.00 0.00 H ATOM 493 HB THR A 30 4.819 20.347 27.945 1.00 0.00 H ATOM 494 HG1 THR A 30 4.038 18.568 29.262 1.00 0.00 H ATOM 495 HG23 THR A 30 3.723 20.759 25.792 1.00 0.00 H ATOM 496 HG21 THR A 30 2.452 19.583 26.209 1.00 0.00 H ATOM 497 HG22 THR A 30 2.622 21.084 27.153 1.00 0.00 H ATOM 498 H THR A 30 5.990 18.146 28.663 1.00 0.00 H ATOM 499 N PHE A 31 5.372 18.937 24.432 1.00 10.68 N ATOM 500 CA PHE A 31 6.217 19.383 23.357 1.00 9.76 C ATOM 501 C PHE A 31 5.519 19.894 22.086 1.00 10.24 C ATOM 502 O PHE A 31 4.288 19.780 21.912 1.00 11.25 O ATOM 503 CB PHE A 31 7.102 18.160 22.934 1.00 10.20 C ATOM 504 CG PHE A 31 6.337 17.112 22.159 1.00 9.16 C ATOM 505 CD1 PHE A 31 6.439 17.047 20.782 1.00 8.55 C ATOM 506 CD2 PHE A 31 5.483 16.227 22.814 1.00 10.17 C ATOM 507 CE1 PHE A 31 5.711 16.124 20.046 1.00 8.86 C ATOM 508 CE2 PHE A 31 4.743 15.281 22.066 1.00 10.14 C ATOM 509 CZ PHE A 31 4.862 15.240 20.692 1.00 8.72 C ATOM 510 HA PHE A 31 6.758 20.242 23.753 1.00 0.00 H ATOM 511 HB2 PHE A 31 7.920 18.523 22.312 1.00 0.00 H ATOM 512 HB3 PHE A 31 7.508 17.698 23.834 1.00 0.00 H ATOM 513 HD2 PHE A 31 5.385 16.263 23.899 1.00 0.00 H ATOM 514 HE2 PHE A 31 4.078 14.584 22.576 1.00 0.00 H ATOM 515 HZ PHE A 31 4.289 14.513 20.116 1.00 0.00 H ATOM 516 HE1 PHE A 31 5.807 16.094 18.961 1.00 0.00 H ATOM 517 HD1 PHE A 31 7.106 17.736 20.263 1.00 0.00 H ATOM 518 H PHE A 31 4.449 18.499 24.238 1.00 0.00 H ATOM 519 N LEU A 32 6.343 20.444 21.203 1.00 9.46 N ATOM 520 CA LEU A 32 5.945 20.926 19.894 1.00 10.06 C ATOM 521 C LEU A 32 7.190 20.942 19.014 1.00 9.99 C ATOM 522 O LEU A 32 8.318 20.894 19.507 1.00 10.25 O ATOM 523 CB LEU A 32 5.320 22.332 19.967 1.00 10.06 C ATOM 524 CG LEU A 32 6.205 23.448 20.509 1.00 10.44 C ATOM 525 CD1 LEU A 32 6.904 24.140 19.356 1.00 11.97 C ATOM 526 CD2 LEU A 32 5.389 24.447 21.314 1.00 13.30 C ATOM 527 HA LEU A 32 5.182 20.268 19.479 1.00 0.00 H ATOM 528 HB2 LEU A 32 5.017 22.611 18.958 1.00 0.00 H ATOM 529 HB3 LEU A 32 4.439 22.269 20.606 1.00 0.00 H ATOM 530 HG LEU A 32 6.950 23.015 21.176 1.00 0.00 H ATOM 531 HD21 LEU A 32 4.622 24.886 20.676 1.00 0.00 H ATOM 532 HD22 LEU A 32 4.916 23.936 22.153 1.00 0.00 H ATOM 533 HD23 LEU A 32 6.045 25.232 21.689 1.00 0.00 H ATOM 534 HD11 LEU A 32 7.517 23.417 18.818 1.00 0.00 H ATOM 535 HD12 LEU A 32 6.159 24.561 18.681 1.00 0.00 H ATOM 536 HD13 LEU A 32 7.537 24.938 19.743 1.00 0.00 H ATOM 537 H LEU A 32 7.344 20.536 21.468 1.00 0.00 H ATOM 538 N VAL A 33 6.957 20.927 17.721 1.00 10.38 N ATOM 539 CA VAL A 33 8.006 20.995 16.724 1.00 11.03 C ATOM 540 C VAL A 33 7.673 22.238 15.931 1.00 11.84 C ATOM 541 O VAL A 33 6.520 22.497 15.593 1.00 12.61 O ATOM 542 CB VAL A 33 8.019 19.724 15.824 1.00 10.31 C ATOM 543 CG1 VAL A 33 9.005 19.887 14.670 1.00 11.20 C ATOM 544 CG2 VAL A 33 8.371 18.458 16.700 1.00 11.28 C ATOM 545 HA VAL A 33 9.002 21.038 17.165 1.00 0.00 H ATOM 546 HB VAL A 33 7.029 19.584 15.391 1.00 0.00 H ATOM 547 HG11 VAL A 33 8.714 20.745 14.064 1.00 0.00 H ATOM 548 HG12 VAL A 33 10.007 20.046 15.069 1.00 0.00 H ATOM 549 HG13 VAL A 33 8.996 18.986 14.056 1.00 0.00 H ATOM 550 HG21 VAL A 33 9.354 18.592 17.152 1.00 0.00 H ATOM 551 HG22 VAL A 33 7.622 18.340 17.483 1.00 0.00 H ATOM 552 HG23 VAL A 33 8.379 17.571 16.067 1.00 0.00 H ATOM 553 H VAL A 33 5.971 20.863 17.397 1.00 0.00 H ATOM 554 N ARG A 34 8.663 23.075 15.712 1.00 12.03 N ATOM 555 CA ARG A 34 8.447 24.315 14.957 1.00 12.91 C ATOM 556 C ARG A 34 9.649 24.515 14.042 1.00 12.97 C ATOM 557 O ARG A 34 10.634 23.778 14.141 1.00 12.89 O ATOM 558 CB ARG A 34 8.348 25.467 15.932 1.00 12.61 C ATOM 559 CG ARG A 34 9.593 25.568 16.839 1.00 13.69 C ATOM 560 CD ARG A 34 9.509 26.707 17.801 1.00 13.20 C ATOM 561 NE ARG A 34 10.636 26.751 18.736 1.00 13.36 N ATOM 562 CZ ARG A 34 11.790 27.384 18.512 1.00 13.74 C ATOM 563 NH1 ARG A 34 12.737 27.354 19.444 1.00 13.59 N ATOM 564 NH2 ARG A 34 12.000 28.030 17.370 1.00 13.97 N ATOM 565 HA ARG A 34 7.531 24.264 14.369 1.00 0.00 H ATOM 566 HB2 ARG A 34 8.246 26.396 15.370 1.00 0.00 H ATOM 567 HB3 ARG A 34 7.467 25.323 16.558 1.00 0.00 H ATOM 568 HG2 ARG A 34 9.691 24.640 17.403 1.00 0.00 H ATOM 569 HG3 ARG A 34 10.473 25.705 16.211 1.00 0.00 H ATOM 570 HD2 ARG A 34 8.586 26.611 18.373 1.00 0.00 H ATOM 571 HD3 ARG A 34 9.490 27.639 17.236 1.00 0.00 H ATOM 572 HE ARG A 34 10.529 26.252 19.642 1.00 0.00 H ATOM 573 HH12 ARG A 34 13.641 27.843 19.283 1.00 0.00 H ATOM 574 HH11 ARG A 34 12.574 26.842 20.334 1.00 0.00 H ATOM 575 HH22 ARG A 34 12.903 28.519 17.208 1.00 0.00 H ATOM 576 HH21 ARG A 34 11.261 28.046 16.638 1.00 0.00 H ATOM 577 H ARG A 34 9.611 22.856 16.078 1.00 0.00 H ATOM 578 N GLU A 35 9.552 25.438 13.096 1.00 13.52 N ATOM 579 CA GLU A 35 10.684 25.711 12.234 1.00 14.97 C ATOM 580 C GLU A 35 11.731 26.438 13.086 1.00 15.45 C ATOM 581 O GLU A 35 11.407 27.085 14.087 1.00 14.48 O ATOM 582 CB GLU A 35 10.362 26.708 11.266 1.00 18.28 C ATOM 583 CG GLU A 35 9.604 26.188 10.106 1.00 22.69 C ATOM 584 CD GLU A 35 9.344 27.254 9.075 1.00 27.83 C ATOM 585 OE1 GLU A 35 8.595 26.955 8.115 1.00 31.13 O ATOM 586 OE2 GLU A 35 9.871 28.392 9.211 1.00 28.84 O ATOM 587 HA GLU A 35 10.994 24.769 11.782 1.00 0.00 H ATOM 588 HB2 GLU A 35 9.763 27.479 11.751 1.00 0.00 H ATOM 589 HB3 GLU A 35 11.291 27.147 10.902 1.00 0.00 H ATOM 590 HG2 GLU A 35 10.176 25.384 9.644 1.00 0.00 H ATOM 591 HG3 GLU A 35 8.649 25.797 10.457 1.00 0.00 H ATOM 592 H GLU A 35 8.664 25.966 12.973 1.00 0.00 H ATOM 593 N SER A 36 12.998 26.262 12.736 1.00 15.69 N ATOM 594 CA SER A 36 14.070 26.948 13.445 1.00 15.52 C ATOM 595 C SER A 36 13.975 28.468 12.999 1.00 15.56 C ATOM 596 O SER A 36 13.686 28.755 11.836 1.00 15.56 O ATOM 597 CB SER A 36 15.443 26.367 12.984 1.00 15.23 C ATOM 598 OG SER A 36 16.483 27.303 13.219 1.00 15.47 O ATOM 599 HA SER A 36 13.984 26.832 14.525 1.00 0.00 H ATOM 600 HB2 SER A 36 15.398 26.141 11.919 1.00 0.00 H ATOM 601 HB3 SER A 36 15.651 25.453 13.540 1.00 0.00 H ATOM 602 HG SER A 36 17.345 26.918 12.921 1.00 0.00 H ATOM 603 H SER A 36 13.229 25.627 11.946 1.00 0.00 H ATOM 604 N GLU A 37 14.216 29.398 13.918 1.00 16.79 N ATOM 605 CA GLU A 37 14.191 30.834 13.578 1.00 17.81 C ATOM 606 C GLU A 37 15.431 31.271 12.732 1.00 20.27 C ATOM 607 O GLU A 37 15.373 32.225 11.951 1.00 20.78 O ATOM 608 CB GLU A 37 14.279 31.727 14.844 1.00 16.42 C ATOM 609 CG GLU A 37 13.007 31.776 15.672 1.00 14.66 C ATOM 610 CD GLU A 37 13.125 32.666 16.860 1.00 16.50 C ATOM 611 OE1 GLU A 37 14.166 33.327 17.027 1.00 16.34 O ATOM 612 OE2 GLU A 37 12.184 32.729 17.670 1.00 15.37 O ATOM 613 HA GLU A 37 13.256 30.961 13.033 1.00 0.00 H ATOM 614 HB2 GLU A 37 15.081 31.345 15.475 1.00 0.00 H ATOM 615 HB3 GLU A 37 14.519 32.742 14.528 1.00 0.00 H ATOM 616 HG2 GLU A 37 12.195 32.141 15.043 1.00 0.00 H ATOM 617 HG3 GLU A 37 12.775 30.767 16.014 1.00 0.00 H ATOM 618 H GLU A 37 14.426 29.108 14.894 1.00 0.00 H ATOM 619 N THR A 38 16.519 30.523 12.860 1.00 22.14 N ATOM 620 CA THR A 38 17.724 30.912 12.165 1.00 25.52 C ATOM 621 C THR A 38 18.406 29.937 11.241 1.00 26.30 C ATOM 622 O THR A 38 19.301 30.330 10.490 1.00 25.43 O ATOM 623 CB THR A 38 18.725 31.449 13.176 1.00 27.29 C ATOM 624 OG1 THR A 38 18.920 30.468 14.215 1.00 28.39 O ATOM 625 CG2 THR A 38 18.168 32.797 13.784 1.00 28.25 C ATOM 626 HA THR A 38 17.358 31.658 11.460 1.00 0.00 H ATOM 627 HB THR A 38 19.683 31.646 12.694 1.00 0.00 H ATOM 628 HG1 THR A 38 19.571 30.814 14.876 1.00 0.00 H ATOM 629 HG23 THR A 38 18.028 33.524 12.984 1.00 0.00 H ATOM 630 HG21 THR A 38 17.214 32.606 14.275 1.00 0.00 H ATOM 631 HG22 THR A 38 18.880 33.188 14.511 1.00 0.00 H ATOM 632 H THR A 38 16.505 29.668 13.452 1.00 0.00 H ATOM 633 N THR A 39 18.008 28.672 11.274 1.00 26.61 N ATOM 634 CA THR A 39 18.628 27.695 10.396 1.00 28.13 C ATOM 635 C THR A 39 17.651 27.157 9.383 1.00 29.68 C ATOM 636 O THR A 39 16.760 26.340 9.698 1.00 28.68 O ATOM 637 CB THR A 39 19.277 26.565 11.198 1.00 28.28 C ATOM 638 OG1 THR A 39 20.134 27.133 12.196 1.00 28.29 O ATOM 639 CG2 THR A 39 20.079 25.662 10.284 1.00 29.10 C ATOM 640 HA THR A 39 19.416 28.207 9.844 1.00 0.00 H ATOM 641 HB THR A 39 18.499 25.969 11.675 1.00 0.00 H ATOM 642 HG1 THR A 39 20.557 26.406 12.718 1.00 0.00 H ATOM 643 HG23 THR A 39 19.420 25.234 9.528 1.00 0.00 H ATOM 644 HG21 THR A 39 20.863 26.243 9.798 1.00 0.00 H ATOM 645 HG22 THR A 39 20.529 24.861 10.870 1.00 0.00 H ATOM 646 H THR A 39 17.253 28.380 11.927 1.00 0.00 H ATOM 647 N LYS A 40 17.793 27.655 8.156 1.00 31.35 N ATOM 648 CA LYS A 40 16.925 27.250 7.061 1.00 33.06 C ATOM 649 C LYS A 40 16.893 25.699 6.973 1.00 32.43 C ATOM 650 O LYS A 40 17.946 25.035 7.046 1.00 32.19 O ATOM 651 CB LYS A 40 17.425 27.890 5.726 1.00 35.30 C ATOM 652 CG LYS A 40 16.515 27.661 4.543 1.00 38.72 C ATOM 653 CD LYS A 40 17.158 28.186 3.261 1.00 42.16 C ATOM 654 CE LYS A 40 16.386 27.734 1.996 1.00 43.67 C ATOM 655 NZ LYS A 40 17.054 28.205 0.714 1.00 43.26 N ATOM 656 HA LYS A 40 15.909 27.602 7.240 1.00 0.00 H ATOM 657 HB2 LYS A 40 17.522 28.965 5.879 1.00 0.00 H ATOM 658 HB3 LYS A 40 18.402 27.468 5.491 1.00 0.00 H ATOM 659 HG2 LYS A 40 16.326 26.593 4.438 1.00 0.00 H ATOM 660 HG3 LYS A 40 15.572 28.181 4.710 1.00 0.00 H ATOM 661 HD2 LYS A 40 17.172 29.275 3.295 1.00 0.00 H ATOM 662 HD3 LYS A 40 18.180 27.813 3.202 1.00 0.00 H ATOM 663 HE2 LYS A 40 15.376 28.143 2.036 1.00 0.00 H ATOM 664 HE3 LYS A 40 16.336 26.645 1.986 1.00 0.00 H ATOM 665 HZ1 LYS A 40 17.100 29.244 0.710 1.00 0.00 H ATOM 666 HZ2 LYS A 40 18.016 27.814 0.662 1.00 0.00 H ATOM 667 HZ3 LYS A 40 16.501 27.878 -0.104 1.00 0.00 H ATOM 668 H LYS A 40 18.544 28.352 7.976 1.00 0.00 H ATOM 669 N GLY A 41 15.696 25.129 6.906 1.00 31.41 N ATOM 670 CA GLY A 41 15.580 23.690 6.784 1.00 29.35 C ATOM 671 C GLY A 41 15.844 22.865 8.032 1.00 27.61 C ATOM 672 O GLY A 41 16.000 21.660 7.929 1.00 28.68 O ATOM 673 HA3 GLY A 41 16.288 23.367 6.021 1.00 0.00 H ATOM 674 HA2 GLY A 41 14.565 23.469 6.453 1.00 0.00 H ATOM 675 H GLY A 41 14.839 25.717 6.941 1.00 0.00 H ATOM 676 N ALA A 42 15.976 23.506 9.186 1.00 24.50 N ATOM 677 CA ALA A 42 16.153 22.754 10.419 1.00 20.97 C ATOM 678 C ALA A 42 14.945 23.111 11.236 1.00 18.83 C ATOM 679 O ALA A 42 14.269 24.089 10.935 1.00 18.04 O ATOM 680 CB ALA A 42 17.428 23.144 11.137 1.00 20.21 C ATOM 681 HA ALA A 42 16.242 21.683 10.238 1.00 0.00 H ATOM 682 HB1 ALA A 42 18.283 22.947 10.490 1.00 0.00 H ATOM 683 HB2 ALA A 42 17.394 24.205 11.384 1.00 0.00 H ATOM 684 HB3 ALA A 42 17.522 22.559 12.052 1.00 0.00 H ATOM 685 H ALA A 42 15.953 24.545 9.209 1.00 0.00 H ATOM 686 N TYR A 43 14.639 22.297 12.236 1.00 16.79 N ATOM 687 CA TYR A 43 13.500 22.519 13.109 1.00 16.03 C ATOM 688 C TYR A 43 13.922 22.547 14.524 1.00 14.85 C ATOM 689 O TYR A 43 15.074 22.296 14.841 1.00 15.50 O ATOM 690 CB TYR A 43 12.522 21.318 13.023 1.00 16.60 C ATOM 691 CG TYR A 43 12.033 21.046 11.641 1.00 18.05 C ATOM 692 CD1 TYR A 43 12.687 20.115 10.825 1.00 20.99 C ATOM 693 CD2 TYR A 43 10.919 21.719 11.139 1.00 19.46 C ATOM 694 CE1 TYR A 43 12.242 19.853 9.547 1.00 23.73 C ATOM 695 CE2 TYR A 43 10.455 21.479 9.863 1.00 22.03 C ATOM 696 CZ TYR A 43 11.122 20.542 9.067 1.00 24.97 C ATOM 697 OH TYR A 43 10.673 20.299 7.792 1.00 28.32 O ATOM 698 HA TYR A 43 13.045 23.459 12.797 1.00 0.00 H ATOM 699 HB3 TYR A 43 11.662 21.527 13.659 1.00 0.00 H ATOM 700 HB2 TYR A 43 13.035 20.428 13.389 1.00 0.00 H ATOM 701 HD2 TYR A 43 10.406 22.448 11.767 1.00 0.00 H ATOM 702 HE2 TYR A 43 9.583 22.010 9.481 1.00 0.00 H ATOM 703 HE1 TYR A 43 12.753 19.122 8.921 1.00 0.00 H ATOM 704 HD1 TYR A 43 13.562 19.589 11.206 1.00 0.00 H ATOM 705 HH TYR A 43 10.708 21.137 7.266 1.00 0.00 H ATOM 706 H TYR A 43 15.240 21.464 12.402 1.00 0.00 H ATOM 707 N CYS A 44 12.999 22.859 15.422 1.00 13.04 N ATOM 708 CA CYS A 44 13.311 22.834 16.823 1.00 12.44 C ATOM 709 C CYS A 44 12.259 22.046 17.460 1.00 12.57 C ATOM 710 O CYS A 44 11.090 22.157 17.088 1.00 12.21 O ATOM 711 CB CYS A 44 13.208 24.207 17.491 1.00 13.91 C ATOM 712 SG CYS A 44 14.470 25.408 16.965 1.00 16.88 S ATOM 713 HA CYS A 44 14.327 22.455 16.928 1.00 0.00 H ATOM 714 HB2 CYS A 44 13.300 24.068 18.568 1.00 0.00 H ATOM 715 HB3 CYS A 44 12.227 24.623 17.262 1.00 0.00 H ATOM 716 HG CYS A 44 15.724 24.914 17.260 1.00 0.00 H ATOM 717 H CYS A 44 12.043 23.124 15.110 1.00 0.00 H ATOM 718 N LEU A 45 12.662 21.194 18.391 1.00 11.92 N ATOM 719 CA LEU A 45 11.751 20.407 19.191 1.00 11.45 C ATOM 720 C LEU A 45 11.797 21.134 20.552 1.00 12.12 C ATOM 721 O LEU A 45 12.811 21.084 21.243 1.00 12.16 O ATOM 722 CB LEU A 45 12.265 18.946 19.318 1.00 11.64 C ATOM 723 CG LEU A 45 11.584 18.026 20.367 1.00 12.51 C ATOM 724 CD1 LEU A 45 10.107 17.765 19.934 1.00 12.87 C ATOM 725 CD2 LEU A 45 12.374 16.680 20.513 1.00 10.54 C ATOM 726 HA LEU A 45 10.746 20.331 18.775 1.00 0.00 H ATOM 727 HB2 LEU A 45 12.144 18.473 18.343 1.00 0.00 H ATOM 728 HB3 LEU A 45 13.325 18.995 19.568 1.00 0.00 H ATOM 729 HG LEU A 45 11.588 18.517 21.340 1.00 0.00 H ATOM 730 HD21 LEU A 45 12.395 16.166 19.552 1.00 0.00 H ATOM 731 HD22 LEU A 45 13.393 16.892 20.836 1.00 0.00 H ATOM 732 HD23 LEU A 45 11.881 16.049 21.253 1.00 0.00 H ATOM 733 HD11 LEU A 45 9.574 18.714 19.876 1.00 0.00 H ATOM 734 HD12 LEU A 45 10.096 17.280 18.958 1.00 0.00 H ATOM 735 HD13 LEU A 45 9.624 17.119 20.667 1.00 0.00 H ATOM 736 H LEU A 45 13.683 21.086 18.554 1.00 0.00 H ATOM 737 N SER A 46 10.711 21.824 20.915 1.00 11.42 N ATOM 738 CA SER A 46 10.632 22.559 22.171 1.00 11.13 C ATOM 739 C SER A 46 9.919 21.693 23.188 1.00 11.19 C ATOM 740 O SER A 46 8.770 21.266 22.982 1.00 13.36 O ATOM 741 CB SER A 46 10.017 23.909 21.898 1.00 10.77 C ATOM 742 OG SER A 46 10.777 24.573 20.899 1.00 10.66 O ATOM 743 HA SER A 46 11.607 22.773 22.610 1.00 0.00 H ATOM 744 HB2 SER A 46 10.018 24.502 22.812 1.00 0.00 H ATOM 745 HB3 SER A 46 8.992 23.780 21.551 1.00 0.00 H ATOM 746 HG SER A 46 11.708 24.689 21.216 1.00 0.00 H ATOM 747 H SER A 46 9.890 21.837 20.276 1.00 0.00 H ATOM 748 N VAL A 47 10.575 21.460 24.315 1.00 10.92 N ATOM 749 CA VAL A 47 10.069 20.545 25.325 1.00 10.86 C ATOM 750 C VAL A 47 10.008 21.123 26.674 1.00 11.37 C ATOM 751 O VAL A 47 10.961 21.789 27.103 1.00 12.01 O ATOM 752 CB VAL A 47 10.985 19.242 25.385 1.00 8.82 C ATOM 753 CG1 VAL A 47 10.365 18.170 26.294 1.00 11.11 C ATOM 754 CG2 VAL A 47 11.239 18.695 24.000 1.00 10.13 C ATOM 755 HA VAL A 47 9.049 20.307 25.023 1.00 0.00 H ATOM 756 HB VAL A 47 11.945 19.529 25.815 1.00 0.00 H ATOM 757 HG11 VAL A 47 10.259 18.568 27.303 1.00 0.00 H ATOM 758 HG12 VAL A 47 9.385 17.890 25.907 1.00 0.00 H ATOM 759 HG13 VAL A 47 11.013 17.294 26.314 1.00 0.00 H ATOM 760 HG21 VAL A 47 10.289 18.434 23.534 1.00 0.00 H ATOM 761 HG22 VAL A 47 11.744 19.451 23.399 1.00 0.00 H ATOM 762 HG23 VAL A 47 11.866 17.807 24.071 1.00 0.00 H ATOM 763 H VAL A 47 11.479 21.946 24.482 1.00 0.00 H ATOM 764 N SER A 48 8.918 20.853 27.404 1.00 10.44 N ATOM 765 CA SER A 48 8.822 21.367 28.746 1.00 12.26 C ATOM 766 C SER A 48 9.516 20.360 29.727 1.00 13.10 C ATOM 767 O SER A 48 9.603 19.139 29.468 1.00 13.12 O ATOM 768 CB SER A 48 7.348 21.675 29.132 1.00 11.84 C ATOM 769 OG SER A 48 6.660 20.503 29.516 1.00 12.78 O ATOM 770 HA SER A 48 9.345 22.321 28.815 1.00 0.00 H ATOM 771 HB2 SER A 48 6.842 22.119 28.275 1.00 0.00 H ATOM 772 HB3 SER A 48 7.339 22.380 29.963 1.00 0.00 H ATOM 773 HG SER A 48 7.112 20.098 30.298 1.00 0.00 H ATOM 774 H SER A 48 8.148 20.278 27.006 1.00 0.00 H ATOM 775 N ASP A 49 9.987 20.911 30.839 1.00 14.00 N ATOM 776 CA ASP A 49 10.646 20.151 31.864 1.00 14.12 C ATOM 777 C ASP A 49 10.288 20.741 33.171 1.00 14.12 C ATOM 778 O ASP A 49 9.721 21.850 33.259 1.00 14.40 O ATOM 779 CB ASP A 49 12.183 20.213 31.681 1.00 15.18 C ATOM 780 CG ASP A 49 12.934 19.081 32.475 1.00 18.28 C ATOM 781 OD1 ASP A 49 12.289 18.108 32.948 1.00 16.92 O ATOM 782 OD2 ASP A 49 14.174 19.180 32.603 1.00 19.51 O ATOM 783 HA ASP A 49 10.333 19.109 31.808 1.00 0.00 H ATOM 784 HB2 ASP A 49 12.413 20.107 30.621 1.00 0.00 H ATOM 785 HB3 ASP A 49 12.538 21.181 32.034 1.00 0.00 H ATOM 786 H ASP A 49 9.874 21.936 30.974 1.00 0.00 H ATOM 787 N PHE A 50 10.580 19.979 34.214 1.00 14.01 N ATOM 788 CA PHE A 50 10.349 20.409 35.568 1.00 15.41 C ATOM 789 C PHE A 50 11.296 19.660 36.517 1.00 16.93 C ATOM 790 O PHE A 50 11.452 18.442 36.388 1.00 18.29 O ATOM 791 CB PHE A 50 8.894 20.060 36.022 1.00 14.44 C ATOM 792 CG PHE A 50 8.561 20.606 37.378 1.00 14.46 C ATOM 793 CD1 PHE A 50 8.835 19.858 38.535 1.00 13.65 C ATOM 794 CD2 PHE A 50 8.074 21.903 37.510 1.00 13.19 C ATOM 795 CE1 PHE A 50 8.640 20.412 39.819 1.00 14.31 C ATOM 796 CE2 PHE A 50 7.878 22.460 38.772 1.00 12.93 C ATOM 797 CZ PHE A 50 8.162 21.717 39.932 1.00 15.07 C ATOM 798 HA PHE A 50 10.513 21.486 35.603 1.00 0.00 H ATOM 799 HB2 PHE A 50 8.194 20.476 35.297 1.00 0.00 H ATOM 800 HB3 PHE A 50 8.788 18.976 36.047 1.00 0.00 H ATOM 801 HD2 PHE A 50 7.844 22.488 36.619 1.00 0.00 H ATOM 802 HE2 PHE A 50 7.502 23.479 38.861 1.00 0.00 H ATOM 803 HZ PHE A 50 8.009 22.160 40.916 1.00 0.00 H ATOM 804 HE1 PHE A 50 8.861 19.826 40.711 1.00 0.00 H ATOM 805 HD1 PHE A 50 9.203 18.836 38.440 1.00 0.00 H ATOM 806 H PHE A 50 10.990 19.038 34.049 1.00 0.00 H ATOM 807 N ASP A 51 11.977 20.390 37.404 1.00 17.65 N ATOM 808 CA ASP A 51 12.798 19.757 38.443 1.00 18.61 C ATOM 809 C ASP A 51 12.799 20.694 39.576 1.00 18.84 C ATOM 810 O ASP A 51 12.412 21.851 39.412 1.00 18.66 O ATOM 811 CB ASP A 51 14.131 19.185 37.872 1.00 20.38 C ATOM 812 CG ASP A 51 15.120 20.232 37.524 1.00 22.70 C ATOM 813 OD1 ASP A 51 16.076 19.912 36.793 1.00 24.34 O ATOM 814 OD2 ASP A 51 14.986 21.372 37.977 1.00 24.28 O ATOM 815 HA ASP A 51 12.404 18.824 38.847 1.00 0.00 H ATOM 816 HB2 ASP A 51 14.573 18.527 38.620 1.00 0.00 H ATOM 817 HB3 ASP A 51 13.904 18.611 36.973 1.00 0.00 H ATOM 818 H ASP A 51 11.925 21.428 37.358 1.00 0.00 H ATOM 819 N ASN A 52 13.216 20.252 40.755 1.00 20.00 N ATOM 820 CA ASN A 52 13.200 21.155 41.910 1.00 21.78 C ATOM 821 C ASN A 52 14.283 22.307 41.847 1.00 22.58 C ATOM 822 O ASN A 52 14.218 23.263 42.607 1.00 24.01 O ATOM 823 CB ASN A 52 13.380 20.379 43.233 1.00 23.78 C ATOM 824 CG ASN A 52 12.198 19.514 43.571 1.00 24.01 C ATOM 825 OD1 ASN A 52 11.098 19.722 43.078 1.00 26.27 O ATOM 826 ND2 ASN A 52 12.416 18.541 44.425 1.00 23.58 N ATOM 827 HA ASN A 52 12.218 21.627 41.875 1.00 0.00 H ATOM 828 HB2 ASN A 52 14.262 19.744 43.147 1.00 0.00 H ATOM 829 HB3 ASN A 52 13.528 21.097 44.040 1.00 0.00 H ATOM 830 HD22 ASN A 52 13.367 18.399 44.820 1.00 0.00 H ATOM 831 HD21 ASN A 52 11.637 17.912 44.706 1.00 0.00 H ATOM 832 H ASN A 52 13.551 19.273 40.859 1.00 0.00 H ATOM 833 N ALA A 53 15.275 22.156 40.980 1.00 22.30 N ATOM 834 CA ALA A 53 16.315 23.162 40.843 1.00 22.76 C ATOM 835 C ALA A 53 15.792 24.283 40.011 1.00 23.21 C ATOM 836 O ALA A 53 15.682 25.409 40.486 1.00 24.67 O ATOM 837 CB ALA A 53 17.576 22.558 40.192 1.00 22.43 C ATOM 838 HA ALA A 53 16.592 23.532 41.830 1.00 0.00 H ATOM 839 HB1 ALA A 53 17.951 21.746 40.814 1.00 0.00 H ATOM 840 HB2 ALA A 53 17.324 22.174 39.203 1.00 0.00 H ATOM 841 HB3 ALA A 53 18.341 23.329 40.100 1.00 0.00 H ATOM 842 H ALA A 53 15.309 21.302 40.387 1.00 0.00 H ATOM 843 N LYS A 54 15.443 23.970 38.767 1.00 23.03 N ATOM 844 CA LYS A 54 14.938 24.943 37.794 1.00 23.33 C ATOM 845 C LYS A 54 13.420 25.210 37.738 1.00 23.03 C ATOM 846 O LYS A 54 12.981 26.142 37.038 1.00 23.32 O ATOM 847 CB LYS A 54 15.227 24.471 36.384 1.00 23.70 C ATOM 848 CG LYS A 54 16.653 23.995 36.232 1.00 26.13 C ATOM 849 CD LYS A 54 17.102 24.024 34.809 1.00 27.94 C ATOM 850 CE LYS A 54 18.571 24.434 34.771 1.00 28.60 C ATOM 851 NZ LYS A 54 19.036 24.739 33.385 1.00 30.76 N ATOM 852 HA LYS A 54 15.443 25.846 38.136 1.00 0.00 H ATOM 853 HB2 LYS A 54 14.553 23.649 36.142 1.00 0.00 H ATOM 854 HB3 LYS A 54 15.055 25.296 35.693 1.00 0.00 H ATOM 855 HG2 LYS A 54 17.305 24.641 36.820 1.00 0.00 H ATOM 856 HG3 LYS A 54 16.725 22.973 36.604 1.00 0.00 H ATOM 857 HD2 LYS A 54 16.985 23.035 34.366 1.00 0.00 H ATOM 858 HD3 LYS A 54 16.505 24.744 34.250 1.00 0.00 H ATOM 859 HE2 LYS A 54 19.174 23.619 35.172 1.00 0.00 H ATOM 860 HE3 LYS A 54 18.704 25.322 35.390 1.00 0.00 H ATOM 861 HZ1 LYS A 54 18.920 23.895 32.788 1.00 0.00 H ATOM 862 HZ2 LYS A 54 18.472 25.521 32.995 1.00 0.00 H ATOM 863 HZ3 LYS A 54 20.039 25.013 33.410 1.00 0.00 H ATOM 864 H LYS A 54 15.533 22.978 38.467 1.00 0.00 H ATOM 865 N GLY A 55 12.630 24.407 38.453 1.00 21.45 N ATOM 866 CA GLY A 55 11.189 24.557 38.373 1.00 18.79 C ATOM 867 C GLY A 55 10.784 24.225 36.928 1.00 17.85 C ATOM 868 O GLY A 55 11.474 23.470 36.213 1.00 15.78 O ATOM 869 HA3 GLY A 55 10.904 25.581 38.616 1.00 0.00 H ATOM 870 HA2 GLY A 55 10.702 23.871 39.066 1.00 0.00 H ATOM 871 H GLY A 55 13.045 23.676 39.065 1.00 0.00 H ATOM 872 N LEU A 56 9.678 24.811 36.483 1.00 16.44 N ATOM 873 CA LEU A 56 9.179 24.609 35.132 1.00 16.10 C ATOM 874 C LEU A 56 10.083 25.360 34.164 1.00 16.11 C ATOM 875 O LEU A 56 10.326 26.558 34.340 1.00 17.02 O ATOM 876 CB LEU A 56 7.747 25.137 35.043 1.00 16.59 C ATOM 877 CG LEU A 56 7.053 25.038 33.733 1.00 16.33 C ATOM 878 CD1 LEU A 56 6.798 23.585 33.380 1.00 16.48 C ATOM 879 CD2 LEU A 56 5.742 25.808 33.860 1.00 18.99 C ATOM 880 HA LEU A 56 9.179 23.549 34.877 1.00 0.00 H ATOM 881 HB2 LEU A 56 7.151 24.585 35.770 1.00 0.00 H ATOM 882 HB3 LEU A 56 7.771 26.191 35.320 1.00 0.00 H ATOM 883 HG LEU A 56 7.664 25.459 32.935 1.00 0.00 H ATOM 884 HD21 LEU A 56 5.137 25.364 34.651 1.00 0.00 H ATOM 885 HD22 LEU A 56 5.955 26.849 34.105 1.00 0.00 H ATOM 886 HD23 LEU A 56 5.200 25.759 32.915 1.00 0.00 H ATOM 887 HD11 LEU A 56 7.748 23.055 33.321 1.00 0.00 H ATOM 888 HD12 LEU A 56 6.174 23.130 34.149 1.00 0.00 H ATOM 889 HD13 LEU A 56 6.289 23.530 32.418 1.00 0.00 H ATOM 890 H LEU A 56 9.150 25.437 37.124 1.00 0.00 H ATOM 891 N ASN A 57 10.535 24.681 33.115 1.00 15.21 N ATOM 892 CA ASN A 57 11.444 25.298 32.148 1.00 15.38 C ATOM 893 C ASN A 57 11.341 24.648 30.804 1.00 14.34 C ATOM 894 O ASN A 57 10.727 23.581 30.664 1.00 15.56 O ATOM 895 CB ASN A 57 12.922 25.294 32.713 1.00 15.48 C ATOM 896 CG ASN A 57 13.524 23.878 32.808 1.00 16.07 C ATOM 897 OD1 ASN A 57 14.260 23.451 31.925 1.00 18.29 O ATOM 898 ND2 ASN A 57 13.225 23.166 33.887 1.00 15.42 N ATOM 899 HA ASN A 57 11.148 26.337 32.003 1.00 0.00 H ATOM 900 HB2 ASN A 57 13.548 25.895 32.054 1.00 0.00 H ATOM 901 HB3 ASN A 57 12.915 25.737 33.709 1.00 0.00 H ATOM 902 HD22 ASN A 57 12.597 23.563 34.614 1.00 0.00 H ATOM 903 HD21 ASN A 57 13.619 22.211 34.005 1.00 0.00 H ATOM 904 H ASN A 57 10.238 23.694 32.979 1.00 0.00 H ATOM 905 N VAL A 58 11.930 25.280 29.794 1.00 13.14 N ATOM 906 CA VAL A 58 11.865 24.769 28.434 1.00 13.20 C ATOM 907 C VAL A 58 13.257 24.561 27.793 1.00 14.90 C ATOM 908 O VAL A 58 14.168 25.392 27.971 1.00 14.07 O ATOM 909 CB VAL A 58 11.089 25.748 27.537 1.00 13.01 C ATOM 910 CG1 VAL A 58 11.031 25.244 26.110 1.00 11.96 C ATOM 911 CG2 VAL A 58 9.690 25.960 28.109 1.00 13.37 C ATOM 912 HA VAL A 58 11.366 23.802 28.505 1.00 0.00 H ATOM 913 HB VAL A 58 11.609 26.706 27.519 1.00 0.00 H ATOM 914 HG11 VAL A 58 12.044 25.140 25.721 1.00 0.00 H ATOM 915 HG12 VAL A 58 10.531 24.276 26.088 1.00 0.00 H ATOM 916 HG13 VAL A 58 10.477 25.955 25.497 1.00 0.00 H ATOM 917 HG21 VAL A 58 9.165 25.005 28.146 1.00 0.00 H ATOM 918 HG22 VAL A 58 9.769 26.372 29.115 1.00 0.00 H ATOM 919 HG23 VAL A 58 9.140 26.654 27.473 1.00 0.00 H ATOM 920 H VAL A 58 12.450 26.161 29.981 1.00 0.00 H ATOM 921 N LYS A 59 13.402 23.461 27.055 1.00 13.86 N ATOM 922 CA LYS A 59 14.642 23.172 26.347 1.00 13.93 C ATOM 923 C LYS A 59 14.280 23.076 24.897 1.00 13.55 C ATOM 924 O LYS A 59 13.139 22.688 24.548 1.00 12.35 O ATOM 925 CB LYS A 59 15.211 21.811 26.733 1.00 16.68 C ATOM 926 CG LYS A 59 15.277 21.497 28.228 1.00 22.20 C ATOM 927 CD LYS A 59 16.068 22.492 29.035 1.00 25.85 C ATOM 928 CE LYS A 59 16.561 21.878 30.376 1.00 28.48 C ATOM 929 NZ LYS A 59 15.581 21.310 31.416 1.00 26.51 N ATOM 930 HA LYS A 59 15.375 23.944 26.580 1.00 0.00 H ATOM 931 HB2 LYS A 59 14.592 21.048 26.261 1.00 0.00 H ATOM 932 HB3 LYS A 59 16.225 21.751 26.337 1.00 0.00 H ATOM 933 HG2 LYS A 59 14.259 21.473 28.617 1.00 0.00 H ATOM 934 HG3 LYS A 59 15.735 20.516 28.351 1.00 0.00 H ATOM 935 HD2 LYS A 59 16.932 22.813 28.453 1.00 0.00 H ATOM 936 HD3 LYS A 59 15.437 23.354 29.251 1.00 0.00 H ATOM 937 HE2 LYS A 59 17.125 22.661 30.882 1.00 0.00 H ATOM 938 HE3 LYS A 59 17.233 21.062 30.110 1.00 0.00 H ATOM 939 HZ1 LYS A 59 14.933 22.062 31.726 1.00 0.00 H ATOM 940 HZ2 LYS A 59 15.036 20.534 30.989 1.00 0.00 H ATOM 941 HZ3 LYS A 59 16.114 20.951 32.234 1.00 0.00 H ATOM 942 H LYS A 59 12.609 22.791 26.983 1.00 0.00 H ATOM 943 N HIS A 60 15.206 23.468 24.026 1.00 11.61 N ATOM 944 CA HIS A 60 15.001 23.431 22.577 1.00 12.27 C ATOM 945 C HIS A 60 16.102 22.602 21.955 1.00 12.41 C ATOM 946 O HIS A 60 17.266 22.780 22.287 1.00 13.04 O ATOM 947 CB HIS A 60 15.041 24.868 21.972 1.00 11.72 C ATOM 948 CG HIS A 60 14.098 25.828 22.647 1.00 12.87 C ATOM 949 ND1 HIS A 60 12.769 25.948 22.287 1.00 12.02 N ATOM 950 CD2 HIS A 60 14.283 26.670 23.690 1.00 12.62 C ATOM 951 CE1 HIS A 60 12.179 26.818 23.082 1.00 12.64 C ATOM 952 NE2 HIS A 60 13.076 27.269 23.943 1.00 13.55 N ATOM 953 HA HIS A 60 14.024 22.995 22.369 1.00 0.00 H ATOM 954 HB2 HIS A 60 16.055 25.255 22.068 1.00 0.00 H ATOM 955 HB3 HIS A 60 14.775 24.806 20.917 1.00 0.00 H ATOM 956 HD2 HIS A 60 15.216 26.840 24.228 1.00 0.00 H ATOM 957 HE1 HIS A 60 11.131 27.115 23.038 1.00 0.00 H ATOM 958 H HIS A 60 16.116 23.816 24.391 1.00 0.00 H ATOM 959 N TYR A 61 15.717 21.661 21.101 1.00 12.28 N ATOM 960 CA TYR A 61 16.654 20.763 20.423 1.00 12.65 C ATOM 961 C TYR A 61 16.562 20.942 18.949 1.00 13.90 C ATOM 962 O TYR A 61 15.469 21.037 18.377 1.00 13.57 O ATOM 963 CB TYR A 61 16.326 19.281 20.755 1.00 10.97 C ATOM 964 CG TYR A 61 16.323 19.015 22.229 1.00 11.65 C ATOM 965 CD1 TYR A 61 15.139 19.104 22.979 1.00 11.81 C ATOM 966 CD2 TYR A 61 17.509 18.741 22.903 1.00 11.49 C ATOM 967 CE1 TYR A 61 15.144 18.936 24.354 1.00 12.32 C ATOM 968 CE2 TYR A 61 17.525 18.576 24.280 1.00 12.53 C ATOM 969 CZ TYR A 61 16.348 18.673 25.003 1.00 12.90 C ATOM 970 OH TYR A 61 16.387 18.501 26.367 1.00 13.09 O ATOM 971 HA TYR A 61 17.659 21.005 20.769 1.00 0.00 H ATOM 972 HB3 TYR A 61 17.074 18.643 20.285 1.00 0.00 H ATOM 973 HB2 TYR A 61 15.341 19.041 20.353 1.00 0.00 H ATOM 974 HD2 TYR A 61 18.439 18.655 22.341 1.00 0.00 H ATOM 975 HE2 TYR A 61 18.464 18.370 24.793 1.00 0.00 H ATOM 976 HE1 TYR A 61 14.216 19.009 24.922 1.00 0.00 H ATOM 977 HD1 TYR A 61 14.198 19.309 22.469 1.00 0.00 H ATOM 978 HH TYR A 61 16.733 17.597 26.575 1.00 0.00 H ATOM 979 H TYR A 61 14.701 21.557 20.904 1.00 0.00 H ATOM 980 N LYS A 62 17.709 21.025 18.293 1.00 14.62 N ATOM 981 CA LYS A 62 17.717 21.206 16.867 1.00 15.14 C ATOM 982 C LYS A 62 17.552 19.868 16.170 1.00 15.47 C ATOM 983 O LYS A 62 18.199 18.882 16.537 1.00 14.89 O ATOM 984 CB LYS A 62 18.966 21.944 16.454 1.00 17.69 C ATOM 985 CG LYS A 62 19.068 22.092 14.949 1.00 26.33 C ATOM 986 CD LYS A 62 19.981 23.242 14.493 1.00 32.14 C ATOM 987 CE LYS A 62 19.255 24.606 14.668 1.00 36.96 C ATOM 988 NZ LYS A 62 20.113 25.811 14.318 1.00 40.45 N ATOM 989 HA LYS A 62 16.871 21.821 16.560 1.00 0.00 H ATOM 990 HB2 LYS A 62 18.954 22.936 16.905 1.00 0.00 H ATOM 991 HB3 LYS A 62 19.835 21.393 16.813 1.00 0.00 H ATOM 992 HG2 LYS A 62 19.459 21.161 14.539 1.00 0.00 H ATOM 993 HG3 LYS A 62 18.068 22.271 14.554 1.00 0.00 H ATOM 994 HD2 LYS A 62 20.891 23.239 15.093 1.00 0.00 H ATOM 995 HD3 LYS A 62 20.239 23.103 13.443 1.00 0.00 H ATOM 996 HE2 LYS A 62 18.943 24.698 15.708 1.00 0.00 H ATOM 997 HE3 LYS A 62 18.376 24.612 14.024 1.00 0.00 H ATOM 998 HZ1 LYS A 62 20.952 25.828 14.932 1.00 0.00 H ATOM 999 HZ2 LYS A 62 20.411 25.746 13.324 1.00 0.00 H ATOM 1000 HZ3 LYS A 62 19.561 26.681 14.460 1.00 0.00 H ATOM 1001 H LYS A 62 18.608 20.959 18.812 1.00 0.00 H ATOM 1002 N ILE A 63 16.588 19.808 15.257 1.00 16.23 N ATOM 1003 CA ILE A 63 16.324 18.614 14.464 1.00 16.23 C ATOM 1004 C ILE A 63 16.809 18.910 13.087 1.00 18.01 C ATOM 1005 O ILE A 63 16.424 19.928 12.484 1.00 16.86 O ATOM 1006 CB ILE A 63 14.808 18.235 14.406 1.00 15.28 C ATOM 1007 CG1 ILE A 63 14.285 17.812 15.842 1.00 14.27 C ATOM 1008 CG2 ILE A 63 14.597 17.107 13.407 1.00 13.90 C ATOM 1009 CD1 ILE A 63 12.818 17.361 15.867 1.00 14.38 C ATOM 1010 HA ILE A 63 16.831 17.764 14.921 1.00 0.00 H ATOM 1011 HB ILE A 63 14.238 19.106 14.081 1.00 0.00 H ATOM 1012 HG12 ILE A 63 14.902 16.989 16.203 1.00 0.00 H ATOM 1013 HG13 ILE A 63 14.392 18.666 16.511 1.00 0.00 H ATOM 1014 HD11 ILE A 63 12.183 18.176 15.521 1.00 0.00 H ATOM 1015 HD12 ILE A 63 12.693 16.498 15.213 1.00 0.00 H ATOM 1016 HD13 ILE A 63 12.540 17.089 16.885 1.00 0.00 H ATOM 1017 HG21 ILE A 63 14.926 17.431 12.420 1.00 0.00 H ATOM 1018 HG22 ILE A 63 15.175 16.236 13.716 1.00 0.00 H ATOM 1019 HG23 ILE A 63 13.539 16.848 13.372 1.00 0.00 H ATOM 1020 H ILE A 63 15.997 20.649 15.102 1.00 0.00 H ATOM 1021 N ARG A 64 17.727 18.073 12.603 1.00 19.32 N ATOM 1022 CA ARG A 64 18.292 18.217 11.265 1.00 22.05 C ATOM 1023 C ARG A 64 17.623 17.276 10.277 1.00 22.11 C ATOM 1024 O ARG A 64 17.181 16.193 10.635 1.00 19.70 O ATOM 1025 CB ARG A 64 19.845 17.981 11.301 1.00 25.82 C ATOM 1026 CG ARG A 64 20.587 18.885 12.309 1.00 32.00 C ATOM 1027 CD ARG A 64 22.115 18.833 12.098 1.00 38.86 C ATOM 1028 NE ARG A 64 22.724 20.149 11.859 1.00 43.50 N ATOM 1029 CZ ARG A 64 22.269 21.042 10.972 1.00 47.45 C ATOM 1030 NH1 ARG A 64 21.188 20.784 10.231 1.00 49.68 N ATOM 1031 NH2 ARG A 64 22.896 22.208 10.805 1.00 48.49 N ATOM 1032 HA ARG A 64 18.103 19.235 10.925 1.00 0.00 H ATOM 1033 HB2 ARG A 64 20.029 16.941 11.571 1.00 0.00 H ATOM 1034 HB3 ARG A 64 20.246 18.174 10.306 1.00 0.00 H ATOM 1035 HG2 ARG A 64 20.246 19.912 12.181 1.00 0.00 H ATOM 1036 HG3 ARG A 64 20.357 18.551 13.321 1.00 0.00 H ATOM 1037 HD2 ARG A 64 22.322 18.196 11.238 1.00 0.00 H ATOM 1038 HD3 ARG A 64 22.571 18.399 12.988 1.00 0.00 H ATOM 1039 HE ARG A 64 23.564 20.403 12.416 1.00 0.00 H ATOM 1040 HH12 ARG A 64 20.847 21.488 9.546 1.00 0.00 H ATOM 1041 HH11 ARG A 64 20.687 19.879 10.339 1.00 0.00 H ATOM 1042 HH22 ARG A 64 22.537 22.897 10.114 1.00 0.00 H ATOM 1043 HH21 ARG A 64 23.744 22.428 11.366 1.00 0.00 H ATOM 1044 H ARG A 64 18.053 17.288 13.202 1.00 0.00 H ATOM 1045 N LYS A 65 17.482 17.734 9.043 1.00 24.84 N ATOM 1046 CA LYS A 65 16.904 16.929 7.983 1.00 29.11 C ATOM 1047 C LYS A 65 17.928 17.000 6.875 1.00 31.70 C ATOM 1048 O LYS A 65 18.345 18.092 6.464 1.00 31.93 O ATOM 1049 CB LYS A 65 15.505 17.491 7.573 1.00 30.58 C ATOM 1050 CG LYS A 65 15.034 17.079 6.181 1.00 32.69 C ATOM 1051 CD LYS A 65 14.930 15.566 6.019 1.00 35.38 C ATOM 1052 CE LYS A 65 14.832 15.146 4.537 1.00 37.44 C ATOM 1053 NZ LYS A 65 14.030 16.092 3.700 1.00 40.66 N ATOM 1054 HA LYS A 65 16.710 15.895 8.269 1.00 0.00 H ATOM 1055 HB2 LYS A 65 14.772 17.138 8.298 1.00 0.00 H ATOM 1056 HB3 LYS A 65 15.553 18.579 7.607 1.00 0.00 H ATOM 1057 HG2 LYS A 65 14.053 17.518 6.001 1.00 0.00 H ATOM 1058 HG3 LYS A 65 15.742 17.461 5.446 1.00 0.00 H ATOM 1059 HD2 LYS A 65 15.814 15.104 6.458 1.00 0.00 H ATOM 1060 HD3 LYS A 65 14.041 15.216 6.543 1.00 0.00 H ATOM 1061 HE2 LYS A 65 14.367 14.162 4.487 1.00 0.00 H ATOM 1062 HE3 LYS A 65 15.840 15.091 4.126 1.00 0.00 H ATOM 1063 HZ1 LYS A 65 13.061 16.147 4.073 1.00 0.00 H ATOM 1064 HZ2 LYS A 65 14.468 17.035 3.729 1.00 0.00 H ATOM 1065 HZ3 LYS A 65 14.006 15.749 2.718 1.00 0.00 H ATOM 1066 H LYS A 65 17.795 18.702 8.826 1.00 0.00 H ATOM 1067 N LEU A 66 18.401 15.844 6.438 1.00 33.79 N ATOM 1068 CA LEU A 66 19.394 15.771 5.365 1.00 36.80 C ATOM 1069 C LEU A 66 18.697 15.713 3.999 1.00 38.14 C ATOM 1070 O LEU A 66 17.549 15.287 3.918 1.00 37.67 O ATOM 1071 CB LEU A 66 20.160 14.445 5.436 1.00 37.52 C ATOM 1072 CG LEU A 66 20.738 14.078 6.771 1.00 37.85 C ATOM 1073 CD1 LEU A 66 21.149 12.616 6.774 1.00 38.00 C ATOM 1074 CD2 LEU A 66 21.900 14.996 7.081 1.00 37.74 C ATOM 1075 HA LEU A 66 20.040 16.642 5.478 1.00 0.00 H ATOM 1076 HB2 LEU A 66 19.475 13.650 5.141 1.00 0.00 H ATOM 1077 HB3 LEU A 66 20.982 14.498 4.722 1.00 0.00 H ATOM 1078 HG LEU A 66 19.990 14.205 7.553 1.00 0.00 H ATOM 1079 HD21 LEU A 66 22.663 14.888 6.310 1.00 0.00 H ATOM 1080 HD22 LEU A 66 21.550 16.028 7.105 1.00 0.00 H ATOM 1081 HD23 LEU A 66 22.322 14.731 8.051 1.00 0.00 H ATOM 1082 HD11 LEU A 66 20.276 11.994 6.577 1.00 0.00 H ATOM 1083 HD12 LEU A 66 21.898 12.449 6.000 1.00 0.00 H ATOM 1084 HD13 LEU A 66 21.567 12.359 7.747 1.00 0.00 H ATOM 1085 H LEU A 66 18.057 14.962 6.869 1.00 0.00 H ATOM 1086 N ASP A 67 19.386 16.120 2.932 1.00 40.34 N ATOM 1087 CA ASP A 67 18.787 16.040 1.603 1.00 42.88 C ATOM 1088 C ASP A 67 18.815 14.541 1.214 1.00 43.22 C ATOM 1089 O ASP A 67 18.060 14.080 0.344 1.00 43.88 O ATOM 1090 CB ASP A 67 19.392 17.132 0.678 1.00 46.06 C ATOM 1091 CG ASP A 67 18.764 18.622 0.970 1.00 49.84 C ATOM 1092 OD1 ASP A 67 19.005 19.543 0.144 1.00 52.20 O ATOM 1093 OD2 ASP A 67 18.046 18.816 1.997 1.00 51.33 O ATOM 1094 HA ASP A 67 17.734 16.311 1.521 1.00 0.00 H ATOM 1095 HB2 ASP A 67 20.469 17.169 0.838 1.00 0.00 H ATOM 1096 HB3 ASP A 67 19.189 16.864 -0.359 1.00 0.00 H ATOM 1097 H ASP A 67 20.350 16.494 3.047 1.00 0.00 H ATOM 1098 N SER A 68 19.649 13.798 1.940 1.00 42.92 N ATOM 1099 CA SER A 68 19.788 12.352 1.803 1.00 42.78 C ATOM 1100 C SER A 68 18.494 11.632 2.405 1.00 42.02 C ATOM 1101 O SER A 68 18.345 10.413 2.260 1.00 43.35 O ATOM 1102 CB SER A 68 20.947 11.874 2.631 1.00 43.32 C ATOM 1103 OG SER A 68 22.020 12.787 2.499 1.00 45.88 O ATOM 1104 HA SER A 68 19.926 12.122 0.747 1.00 0.00 H ATOM 1105 HB2 SER A 68 21.261 10.889 2.285 1.00 0.00 H ATOM 1106 HB3 SER A 68 20.647 11.812 3.677 1.00 0.00 H ATOM 1107 HG SER A 68 22.786 12.475 3.043 1.00 0.00 H ATOM 1108 H SER A 68 20.238 14.279 2.649 1.00 0.00 H ATOM 1109 N GLY A 69 17.679 12.382 3.163 1.00 40.41 N ATOM 1110 CA GLY A 69 16.435 11.847 3.701 1.00 36.24 C ATOM 1111 C GLY A 69 16.205 11.721 5.194 1.00 33.52 C ATOM 1112 O GLY A 69 15.073 11.855 5.656 1.00 34.83 O ATOM 1113 HA3 GLY A 69 16.328 10.844 3.288 1.00 0.00 H ATOM 1114 HA2 GLY A 69 15.636 12.483 3.320 1.00 0.00 H ATOM 1115 H GLY A 69 17.941 13.367 3.371 1.00 0.00 H ATOM 1116 N GLY A 70 17.258 11.481 5.954 1.00 30.40 N ATOM 1117 CA GLY A 70 17.082 11.299 7.378 1.00 26.10 C ATOM 1118 C GLY A 70 16.831 12.527 8.226 1.00 23.36 C ATOM 1119 O GLY A 70 17.202 13.643 7.872 1.00 23.13 O ATOM 1120 HA3 GLY A 70 17.985 10.822 7.758 1.00 0.00 H ATOM 1121 HA2 GLY A 70 16.233 10.630 7.517 1.00 0.00 H ATOM 1122 H GLY A 70 18.207 11.423 5.532 1.00 0.00 H ATOM 1123 N PHE A 71 16.166 12.295 9.344 1.00 19.10 N ATOM 1124 CA PHE A 71 15.871 13.321 10.339 1.00 17.50 C ATOM 1125 C PHE A 71 16.558 12.883 11.652 1.00 15.80 C ATOM 1126 O PHE A 71 16.528 11.693 12.003 1.00 15.93 O ATOM 1127 CB PHE A 71 14.359 13.347 10.694 1.00 16.36 C ATOM 1128 CG PHE A 71 13.508 13.918 9.611 1.00 19.26 C ATOM 1129 CD1 PHE A 71 13.104 13.126 8.529 1.00 18.45 C ATOM 1130 CD2 PHE A 71 13.109 15.266 9.657 1.00 18.70 C ATOM 1131 CE1 PHE A 71 12.309 13.670 7.505 1.00 20.33 C ATOM 1132 CE2 PHE A 71 12.323 15.808 8.649 1.00 19.58 C ATOM 1133 CZ PHE A 71 11.919 15.009 7.569 1.00 19.46 C ATOM 1134 HA PHE A 71 16.195 14.284 9.945 1.00 0.00 H ATOM 1135 HB2 PHE A 71 14.032 12.326 10.889 1.00 0.00 H ATOM 1136 HB3 PHE A 71 14.225 13.948 11.593 1.00 0.00 H ATOM 1137 HD2 PHE A 71 13.420 15.892 10.493 1.00 0.00 H ATOM 1138 HE2 PHE A 71 12.020 16.854 8.697 1.00 0.00 H ATOM 1139 HZ PHE A 71 11.300 15.434 6.779 1.00 0.00 H ATOM 1140 HE1 PHE A 71 11.998 13.049 6.665 1.00 0.00 H ATOM 1141 HD1 PHE A 71 13.408 12.080 8.480 1.00 0.00 H ATOM 1142 H PHE A 71 15.834 11.326 9.525 1.00 0.00 H ATOM 1143 N TYR A 72 17.196 13.804 12.358 1.00 13.81 N ATOM 1144 CA TYR A 72 17.808 13.433 13.626 1.00 12.33 C ATOM 1145 C TYR A 72 18.148 14.660 14.495 1.00 11.68 C ATOM 1146 O TYR A 72 18.163 15.803 13.999 1.00 12.03 O ATOM 1147 CB TYR A 72 19.160 12.667 13.375 1.00 13.80 C ATOM 1148 CG TYR A 72 20.162 13.460 12.569 1.00 15.12 C ATOM 1149 CD1 TYR A 72 21.032 14.373 13.189 1.00 16.04 C ATOM 1150 CD2 TYR A 72 20.228 13.319 11.193 1.00 16.04 C ATOM 1151 CE1 TYR A 72 21.937 15.126 12.449 1.00 17.15 C ATOM 1152 CE2 TYR A 72 21.128 14.057 10.446 1.00 20.01 C ATOM 1153 CZ TYR A 72 21.976 14.959 11.088 1.00 18.93 C ATOM 1154 OH TYR A 72 22.844 15.697 10.341 1.00 23.03 O ATOM 1155 HA TYR A 72 17.079 12.809 14.142 1.00 0.00 H ATOM 1156 HB3 TYR A 72 18.939 11.744 12.839 1.00 0.00 H ATOM 1157 HB2 TYR A 72 19.606 12.428 14.341 1.00 0.00 H ATOM 1158 HD2 TYR A 72 19.562 12.617 10.692 1.00 0.00 H ATOM 1159 HE2 TYR A 72 21.174 13.935 9.364 1.00 0.00 H ATOM 1160 HE1 TYR A 72 22.603 15.835 12.941 1.00 0.00 H ATOM 1161 HD1 TYR A 72 20.997 14.493 14.272 1.00 0.00 H ATOM 1162 HH TYR A 72 23.373 16.285 10.937 1.00 0.00 H ATOM 1163 H TYR A 72 17.259 14.782 12.010 1.00 0.00 H ATOM 1164 N ILE A 73 18.341 14.395 15.785 1.00 11.06 N ATOM 1165 CA ILE A 73 18.813 15.402 16.722 1.00 11.34 C ATOM 1166 C ILE A 73 20.345 15.073 16.784 1.00 12.75 C ATOM 1167 O ILE A 73 21.161 15.985 16.737 1.00 14.04 O ATOM 1168 CB ILE A 73 18.193 15.278 18.092 1.00 10.89 C ATOM 1169 CG1 ILE A 73 16.650 15.529 17.970 1.00 11.36 C ATOM 1170 CG2 ILE A 73 18.868 16.286 19.066 1.00 11.22 C ATOM 1171 CD1 ILE A 73 15.919 15.451 19.247 1.00 11.76 C ATOM 1172 HA ILE A 73 18.564 16.416 16.410 1.00 0.00 H ATOM 1173 HB ILE A 73 18.349 14.278 18.496 1.00 0.00 H ATOM 1174 HG12 ILE A 73 16.498 16.523 17.550 1.00 0.00 H ATOM 1175 HG13 ILE A 73 16.235 14.782 17.293 1.00 0.00 H ATOM 1176 HD11 ILE A 73 16.048 14.458 19.678 1.00 0.00 H ATOM 1177 HD12 ILE A 73 16.311 16.200 19.935 1.00 0.00 H ATOM 1178 HD13 ILE A 73 14.860 15.637 19.070 1.00 0.00 H ATOM 1179 HG21 ILE A 73 19.934 16.069 19.130 1.00 0.00 H ATOM 1180 HG22 ILE A 73 18.724 17.300 18.694 1.00 0.00 H ATOM 1181 HG23 ILE A 73 18.417 16.192 20.054 1.00 0.00 H ATOM 1182 H ILE A 73 18.148 13.435 16.135 1.00 0.00 H ATOM 1183 N THR A 74 20.699 13.793 16.947 1.00 12.97 N ATOM 1184 CA THR A 74 22.113 13.374 16.921 1.00 12.02 C ATOM 1185 C THR A 74 22.273 12.497 15.706 1.00 13.73 C ATOM 1186 O THR A 74 21.454 11.611 15.467 1.00 13.64 O ATOM 1187 CB THR A 74 22.572 12.617 18.172 1.00 13.44 C ATOM 1188 OG1 THR A 74 23.901 12.125 17.943 1.00 14.38 O ATOM 1189 CG2 THR A 74 21.675 11.451 18.477 1.00 12.92 C ATOM 1190 HA THR A 74 22.737 14.267 16.890 1.00 0.00 H ATOM 1191 HB THR A 74 22.540 13.302 19.019 1.00 0.00 H ATOM 1192 HG1 THR A 74 24.212 11.633 18.744 1.00 0.00 H ATOM 1193 HG23 THR A 74 20.661 11.811 18.653 1.00 0.00 H ATOM 1194 HG21 THR A 74 21.676 10.763 17.632 1.00 0.00 H ATOM 1195 HG22 THR A 74 22.039 10.937 19.366 1.00 0.00 H ATOM 1196 H THR A 74 19.960 13.077 17.096 1.00 0.00 H ATOM 1197 N SER A 75 23.321 12.730 14.919 1.00 13.52 N ATOM 1198 CA SER A 75 23.546 11.989 13.685 1.00 14.51 C ATOM 1199 C SER A 75 23.676 10.480 13.890 1.00 14.20 C ATOM 1200 O SER A 75 23.534 9.717 12.942 1.00 14.41 O ATOM 1201 CB SER A 75 24.860 12.482 12.965 1.00 16.82 C ATOM 1202 OG SER A 75 26.012 12.196 13.753 1.00 16.67 O ATOM 1203 HA SER A 75 22.662 12.181 13.077 1.00 0.00 H ATOM 1204 HB2 SER A 75 24.796 13.558 12.804 1.00 0.00 H ATOM 1205 HB3 SER A 75 24.951 11.977 12.004 1.00 0.00 H ATOM 1206 HG SER A 75 26.077 11.219 13.899 1.00 0.00 H ATOM 1207 H SER A 75 24.002 13.466 15.194 1.00 0.00 H ATOM 1208 N ARG A 76 23.951 10.062 15.122 1.00 15.64 N ATOM 1209 CA ARG A 76 24.099 8.640 15.404 1.00 17.95 C ATOM 1210 C ARG A 76 22.721 7.932 15.511 1.00 17.63 C ATOM 1211 O ARG A 76 22.654 6.696 15.451 1.00 18.04 O ATOM 1212 CB ARG A 76 24.880 8.433 16.683 1.00 20.53 C ATOM 1213 CG ARG A 76 26.033 9.427 16.803 1.00 29.65 C ATOM 1214 CD ARG A 76 27.357 8.798 17.244 1.00 35.72 C ATOM 1215 NE ARG A 76 28.347 9.809 17.678 1.00 41.78 N ATOM 1216 CZ ARG A 76 29.644 9.556 17.899 1.00 42.24 C ATOM 1217 NH1 ARG A 76 30.132 8.328 17.725 1.00 43.48 N ATOM 1218 NH2 ARG A 76 30.454 10.529 18.311 1.00 43.44 N ATOM 1219 HA ARG A 76 24.645 8.197 14.571 1.00 0.00 H ATOM 1220 HB2 ARG A 76 24.210 8.564 17.533 1.00 0.00 H ATOM 1221 HB3 ARG A 76 25.283 7.420 16.692 1.00 0.00 H ATOM 1222 HG2 ARG A 76 26.184 9.896 15.831 1.00 0.00 H ATOM 1223 HG3 ARG A 76 25.755 10.188 17.533 1.00 0.00 H ATOM 1224 HD2 ARG A 76 27.774 8.237 16.408 1.00 0.00 H ATOM 1225 HD3 ARG A 76 27.163 8.119 18.075 1.00 0.00 H ATOM 1226 HE ARG A 76 28.013 10.783 17.821 1.00 0.00 H ATOM 1227 HH12 ARG A 76 31.140 8.140 17.899 1.00 0.00 H ATOM 1228 HH11 ARG A 76 29.505 7.558 17.416 1.00 0.00 H ATOM 1229 HH22 ARG A 76 31.460 10.330 18.482 1.00 0.00 H ATOM 1230 HH21 ARG A 76 30.080 11.488 18.462 1.00 0.00 H ATOM 1231 H ARG A 76 24.061 10.755 15.890 1.00 0.00 H ATOM 1232 N THR A 77 21.642 8.711 15.614 1.00 14.94 N ATOM 1233 CA THR A 77 20.304 8.136 15.766 1.00 14.69 C ATOM 1234 C THR A 77 19.314 8.848 14.832 1.00 14.17 C ATOM 1235 O THR A 77 18.732 9.876 15.198 1.00 13.95 O ATOM 1236 CB THR A 77 19.901 8.255 17.224 1.00 14.45 C ATOM 1237 OG1 THR A 77 20.930 7.649 18.031 1.00 16.43 O ATOM 1238 CG2 THR A 77 18.541 7.628 17.498 1.00 13.38 C ATOM 1239 HA THR A 77 20.300 7.083 15.485 1.00 0.00 H ATOM 1240 HB THR A 77 19.801 9.310 17.480 1.00 0.00 H ATOM 1241 HG1 THR A 77 21.025 6.696 17.782 1.00 0.00 H ATOM 1242 HG23 THR A 77 17.788 8.108 16.873 1.00 0.00 H ATOM 1243 HG21 THR A 77 18.580 6.563 17.268 1.00 0.00 H ATOM 1244 HG22 THR A 77 18.284 7.765 18.548 1.00 0.00 H ATOM 1245 H THR A 77 21.754 9.745 15.586 1.00 0.00 H ATOM 1246 N GLN A 78 19.183 8.310 13.624 1.00 12.50 N ATOM 1247 CA GLN A 78 18.368 8.890 12.571 1.00 13.75 C ATOM 1248 C GLN A 78 17.108 8.208 12.289 1.00 14.80 C ATOM 1249 O GLN A 78 16.965 6.999 12.560 1.00 14.86 O ATOM 1250 CB GLN A 78 19.151 8.940 11.301 1.00 15.01 C ATOM 1251 CG GLN A 78 20.536 9.519 11.504 1.00 16.51 C ATOM 1252 CD GLN A 78 21.228 9.907 10.196 1.00 19.98 C ATOM 1253 OE1 GLN A 78 22.431 10.203 10.198 1.00 22.62 O ATOM 1254 NE2 GLN A 78 20.485 9.941 9.085 1.00 19.63 N ATOM 1255 HA GLN A 78 18.104 9.878 12.949 1.00 0.00 H ATOM 1256 HB2 GLN A 78 19.248 7.928 10.908 1.00 0.00 H ATOM 1257 HB3 GLN A 78 18.614 9.558 10.581 1.00 0.00 H ATOM 1258 HG2 GLN A 78 20.451 10.409 12.128 1.00 0.00 H ATOM 1259 HG3 GLN A 78 21.150 8.777 12.014 1.00 0.00 H ATOM 1260 HE22 GLN A 78 19.478 9.685 9.125 1.00 0.00 H ATOM 1261 HE21 GLN A 78 20.914 10.223 8.181 1.00 0.00 H ATOM 1262 H GLN A 78 19.692 7.426 13.422 1.00 0.00 H ATOM 1263 N PHE A 79 16.195 8.953 11.661 1.00 14.33 N ATOM 1264 CA PHE A 79 14.856 8.492 11.325 1.00 13.95 C ATOM 1265 C PHE A 79 14.437 8.792 9.935 1.00 14.07 C ATOM 1266 O PHE A 79 14.905 9.750 9.307 1.00 14.10 O ATOM 1267 CB PHE A 79 13.873 9.054 12.329 1.00 12.70 C ATOM 1268 CG PHE A 79 14.226 8.716 13.738 1.00 12.61 C ATOM 1269 CD1 PHE A 79 15.043 9.584 14.488 1.00 12.08 C ATOM 1270 CD2 PHE A 79 13.855 7.479 14.296 1.00 10.85 C ATOM 1271 CE1 PHE A 79 15.496 9.230 15.773 1.00 11.99 C ATOM 1272 CE2 PHE A 79 14.303 7.110 15.580 1.00 11.36 C ATOM 1273 CZ PHE A 79 15.134 7.989 16.323 1.00 12.02 C ATOM 1274 HA PHE A 79 14.871 7.403 11.378 1.00 0.00 H ATOM 1275 HB2 PHE A 79 13.852 10.139 12.226 1.00 0.00 H ATOM 1276 HB3 PHE A 79 12.884 8.650 12.111 1.00 0.00 H ATOM 1277 HD2 PHE A 79 13.216 6.801 13.731 1.00 0.00 H ATOM 1278 HE2 PHE A 79 14.011 6.149 16.003 1.00 0.00 H ATOM 1279 HZ PHE A 79 15.489 7.703 17.313 1.00 0.00 H ATOM 1280 HE1 PHE A 79 16.125 9.916 16.339 1.00 0.00 H ATOM 1281 HD1 PHE A 79 15.330 10.547 14.066 1.00 0.00 H ATOM 1282 H PHE A 79 16.457 9.924 11.395 1.00 0.00 H ATOM 1283 N ASN A 80 13.553 7.943 9.412 1.00 14.51 N ATOM 1284 CA ASN A 80 13.062 8.096 8.042 1.00 15.45 C ATOM 1285 C ASN A 80 12.040 9.241 7.877 1.00 14.60 C ATOM 1286 O ASN A 80 11.750 9.654 6.764 1.00 15.50 O ATOM 1287 CB ASN A 80 12.433 6.762 7.522 1.00 14.93 C ATOM 1288 CG ASN A 80 13.469 5.684 7.294 1.00 17.52 C ATOM 1289 OD1 ASN A 80 14.651 5.983 7.097 1.00 16.57 O ATOM 1290 ND2 ASN A 80 13.034 4.422 7.294 1.00 17.18 N ATOM 1291 HA ASN A 80 13.937 8.355 7.446 1.00 0.00 H ATOM 1292 HB2 ASN A 80 11.712 6.405 8.258 1.00 0.00 H ATOM 1293 HB3 ASN A 80 11.921 6.960 6.580 1.00 0.00 H ATOM 1294 HD22 ASN A 80 12.028 4.219 7.465 1.00 0.00 H ATOM 1295 HD21 ASN A 80 13.701 3.642 7.123 1.00 0.00 H ATOM 1296 H ASN A 80 13.204 7.153 9.991 1.00 0.00 H ATOM 1297 N SER A 81 11.515 9.733 8.993 1.00 14.87 N ATOM 1298 CA SER A 81 10.522 10.799 8.960 1.00 14.61 C ATOM 1299 C SER A 81 10.501 11.468 10.304 1.00 14.11 C ATOM 1300 O SER A 81 10.884 10.876 11.329 1.00 14.29 O ATOM 1301 CB SER A 81 9.134 10.196 8.704 1.00 13.43 C ATOM 1302 OG SER A 81 8.775 9.356 9.793 1.00 14.34 O ATOM 1303 HA SER A 81 10.770 11.511 8.173 1.00 0.00 H ATOM 1304 HB2 SER A 81 9.156 9.611 7.785 1.00 0.00 H ATOM 1305 HB3 SER A 81 8.402 10.997 8.606 1.00 0.00 H ATOM 1306 HG SER A 81 9.441 8.629 9.881 1.00 0.00 H ATOM 1307 H SER A 81 11.819 9.349 9.911 1.00 0.00 H ATOM 1308 N LEU A 82 10.008 12.698 10.328 1.00 13.36 N ATOM 1309 CA LEU A 82 9.920 13.434 11.572 1.00 13.26 C ATOM 1310 C LEU A 82 8.974 12.678 12.559 1.00 13.12 C ATOM 1311 O LEU A 82 9.167 12.685 13.781 1.00 13.30 O ATOM 1312 CB LEU A 82 9.488 14.894 11.236 1.00 15.35 C ATOM 1313 CG LEU A 82 9.483 15.970 12.295 1.00 16.72 C ATOM 1314 CD1 LEU A 82 10.842 16.027 12.982 1.00 17.04 C ATOM 1315 CD2 LEU A 82 9.153 17.305 11.604 1.00 18.40 C ATOM 1316 HA LEU A 82 10.878 13.499 12.088 1.00 0.00 H ATOM 1317 HB2 LEU A 82 10.155 15.240 10.446 1.00 0.00 H ATOM 1318 HB3 LEU A 82 8.470 14.835 10.850 1.00 0.00 H ATOM 1319 HG LEU A 82 8.737 15.759 13.062 1.00 0.00 H ATOM 1320 HD21 LEU A 82 9.910 17.519 10.849 1.00 0.00 H ATOM 1321 HD22 LEU A 82 8.174 17.235 11.129 1.00 0.00 H ATOM 1322 HD23 LEU A 82 9.142 18.104 12.346 1.00 0.00 H ATOM 1323 HD11 LEU A 82 11.053 15.064 13.447 1.00 0.00 H ATOM 1324 HD12 LEU A 82 11.612 16.252 12.244 1.00 0.00 H ATOM 1325 HD13 LEU A 82 10.830 16.806 13.745 1.00 0.00 H ATOM 1326 H LEU A 82 9.681 13.139 9.445 1.00 0.00 H ATOM 1327 N GLN A 83 7.952 12.040 12.002 1.00 13.24 N ATOM 1328 CA GLN A 83 6.973 11.298 12.791 1.00 14.07 C ATOM 1329 C GLN A 83 7.625 10.153 13.545 1.00 12.13 C ATOM 1330 O GLN A 83 7.338 9.921 14.724 1.00 11.38 O ATOM 1331 CB GLN A 83 5.852 10.725 11.846 1.00 16.31 C ATOM 1332 CG GLN A 83 4.951 11.852 11.239 1.00 19.95 C ATOM 1333 CD GLN A 83 5.398 12.457 9.813 1.00 19.74 C ATOM 1334 OE1 GLN A 83 4.553 12.947 9.048 1.00 22.64 O ATOM 1335 NE2 GLN A 83 6.673 12.395 9.498 1.00 19.12 N ATOM 1336 HA GLN A 83 6.536 11.985 13.516 1.00 0.00 H ATOM 1337 HB2 GLN A 83 6.326 10.178 11.031 1.00 0.00 H ATOM 1338 HB3 GLN A 83 5.223 10.045 12.420 1.00 0.00 H ATOM 1339 HG2 GLN A 83 3.947 11.444 11.123 1.00 0.00 H ATOM 1340 HG3 GLN A 83 4.928 12.675 11.953 1.00 0.00 H ATOM 1341 HE22 GLN A 83 7.354 11.977 10.164 1.00 0.00 H ATOM 1342 HE21 GLN A 83 7.001 12.764 8.583 1.00 0.00 H ATOM 1343 H GLN A 83 7.845 12.070 10.968 1.00 0.00 H ATOM 1344 N GLN A 84 8.534 9.452 12.867 1.00 12.33 N ATOM 1345 CA GLN A 84 9.228 8.324 13.508 1.00 12.47 C ATOM 1346 C GLN A 84 10.132 8.831 14.584 1.00 10.65 C ATOM 1347 O GLN A 84 10.274 8.211 15.636 1.00 10.53 O ATOM 1348 CB GLN A 84 9.908 7.407 12.413 1.00 13.56 C ATOM 1349 CG GLN A 84 8.909 6.481 11.679 1.00 13.84 C ATOM 1350 CD GLN A 84 9.408 6.001 10.369 1.00 15.73 C ATOM 1351 OE1 GLN A 84 9.791 6.793 9.516 1.00 17.71 O ATOM 1352 NE2 GLN A 84 9.393 4.705 10.168 1.00 16.58 N ATOM 1353 HA GLN A 84 8.524 7.666 14.018 1.00 0.00 H ATOM 1354 HB2 GLN A 84 10.390 8.049 11.676 1.00 0.00 H ATOM 1355 HB3 GLN A 84 10.660 6.787 12.900 1.00 0.00 H ATOM 1356 HG2 GLN A 84 8.710 5.616 12.312 1.00 0.00 H ATOM 1357 HG3 GLN A 84 7.982 7.031 11.516 1.00 0.00 H ATOM 1358 HE22 GLN A 84 9.060 4.066 10.918 1.00 0.00 H ATOM 1359 HE21 GLN A 84 9.714 4.316 9.258 1.00 0.00 H ATOM 1360 H GLN A 84 8.753 9.703 11.882 1.00 0.00 H ATOM 1361 N LEU A 85 10.765 9.974 14.332 1.00 11.00 N ATOM 1362 CA LEU A 85 11.633 10.572 15.344 1.00 10.76 C ATOM 1363 C LEU A 85 10.788 10.926 16.581 1.00 10.56 C ATOM 1364 O LEU A 85 11.181 10.640 17.708 1.00 11.20 O ATOM 1365 CB LEU A 85 12.320 11.848 14.776 1.00 11.13 C ATOM 1366 CG LEU A 85 13.332 12.582 15.725 1.00 11.67 C ATOM 1367 CD1 LEU A 85 14.339 13.310 14.872 1.00 10.65 C ATOM 1368 CD2 LEU A 85 12.648 13.532 16.708 1.00 12.69 C ATOM 1369 HA LEU A 85 12.411 9.862 15.625 1.00 0.00 H ATOM 1370 HB2 LEU A 85 12.861 11.559 13.875 1.00 0.00 H ATOM 1371 HB3 LEU A 85 11.535 12.558 14.516 1.00 0.00 H ATOM 1372 HG LEU A 85 13.829 11.835 16.344 1.00 0.00 H ATOM 1373 HD21 LEU A 85 12.101 14.294 16.153 1.00 0.00 H ATOM 1374 HD22 LEU A 85 11.956 12.969 17.334 1.00 0.00 H ATOM 1375 HD23 LEU A 85 13.402 14.008 17.335 1.00 0.00 H ATOM 1376 HD11 LEU A 85 14.868 12.593 14.244 1.00 0.00 H ATOM 1377 HD12 LEU A 85 13.823 14.035 14.242 1.00 0.00 H ATOM 1378 HD13 LEU A 85 15.052 13.827 15.515 1.00 0.00 H ATOM 1379 H LEU A 85 10.642 10.443 13.412 1.00 0.00 H ATOM 1380 N VAL A 86 9.626 11.559 16.373 1.00 11.11 N ATOM 1381 CA VAL A 86 8.771 11.922 17.495 1.00 11.33 C ATOM 1382 C VAL A 86 8.316 10.662 18.273 1.00 10.57 C ATOM 1383 O VAL A 86 8.382 10.628 19.497 1.00 11.54 O ATOM 1384 CB VAL A 86 7.563 12.761 17.021 1.00 11.55 C ATOM 1385 CG1 VAL A 86 6.510 12.875 18.138 1.00 11.52 C ATOM 1386 CG2 VAL A 86 8.040 14.164 16.612 1.00 12.73 C ATOM 1387 HA VAL A 86 9.352 12.540 18.179 1.00 0.00 H ATOM 1388 HB VAL A 86 7.107 12.265 16.164 1.00 0.00 H ATOM 1389 HG11 VAL A 86 6.163 11.879 18.411 1.00 0.00 H ATOM 1390 HG12 VAL A 86 6.956 13.357 19.008 1.00 0.00 H ATOM 1391 HG13 VAL A 86 5.668 13.470 17.783 1.00 0.00 H ATOM 1392 HG21 VAL A 86 8.507 14.651 17.468 1.00 0.00 H ATOM 1393 HG22 VAL A 86 8.763 14.078 15.801 1.00 0.00 H ATOM 1394 HG23 VAL A 86 7.186 14.754 16.278 1.00 0.00 H ATOM 1395 H VAL A 86 9.332 11.793 15.403 1.00 0.00 H ATOM 1396 N ALA A 87 7.952 9.610 17.544 1.00 10.89 N ATOM 1397 CA ALA A 87 7.520 8.344 18.165 1.00 11.41 C ATOM 1398 C ALA A 87 8.630 7.737 19.016 1.00 11.02 C ATOM 1399 O ALA A 87 8.403 7.367 20.174 1.00 11.22 O ATOM 1400 CB ALA A 87 7.087 7.348 17.095 1.00 11.65 C ATOM 1401 HA ALA A 87 6.673 8.566 18.814 1.00 0.00 H ATOM 1402 HB1 ALA A 87 6.257 7.766 16.526 1.00 0.00 H ATOM 1403 HB2 ALA A 87 7.924 7.149 16.426 1.00 0.00 H ATOM 1404 HB3 ALA A 87 6.771 6.420 17.571 1.00 0.00 H ATOM 1405 H ALA A 87 7.973 9.683 16.507 1.00 0.00 H ATOM 1406 N TYR A 88 9.858 7.729 18.481 1.00 11.19 N ATOM 1407 CA TYR A 88 11.004 7.178 19.212 1.00 11.19 C ATOM 1408 C TYR A 88 11.270 7.962 20.521 1.00 10.73 C ATOM 1409 O TYR A 88 11.416 7.377 21.594 1.00 11.14 O ATOM 1410 CB TYR A 88 12.262 7.164 18.289 1.00 11.37 C ATOM 1411 CG TYR A 88 13.524 6.723 18.992 1.00 14.16 C ATOM 1412 CD1 TYR A 88 13.997 5.407 18.879 1.00 14.45 C ATOM 1413 CD2 TYR A 88 14.253 7.618 19.769 1.00 14.40 C ATOM 1414 CE1 TYR A 88 15.188 5.005 19.536 1.00 15.86 C ATOM 1415 CE2 TYR A 88 15.419 7.235 20.423 1.00 15.99 C ATOM 1416 CZ TYR A 88 15.889 5.929 20.305 1.00 16.51 C ATOM 1417 OH TYR A 88 17.025 5.573 20.986 1.00 15.66 O ATOM 1418 HA TYR A 88 10.773 6.152 19.500 1.00 0.00 H ATOM 1419 HB3 TYR A 88 12.417 8.171 17.902 1.00 0.00 H ATOM 1420 HB2 TYR A 88 12.073 6.483 17.459 1.00 0.00 H ATOM 1421 HD2 TYR A 88 13.901 8.645 19.868 1.00 0.00 H ATOM 1422 HE2 TYR A 88 15.966 7.958 21.029 1.00 0.00 H ATOM 1423 HE1 TYR A 88 15.551 3.982 19.439 1.00 0.00 H ATOM 1424 HD1 TYR A 88 13.443 4.685 18.279 1.00 0.00 H ATOM 1425 HH TYR A 88 16.880 5.701 21.957 1.00 0.00 H ATOM 1426 H TYR A 88 10.002 8.121 17.529 1.00 0.00 H ATOM 1427 N TYR A 89 11.358 9.287 20.421 1.00 10.68 N ATOM 1428 CA TYR A 89 11.613 10.103 21.613 1.00 10.81 C ATOM 1429 C TYR A 89 10.445 10.140 22.626 1.00 10.22 C ATOM 1430 O TYR A 89 10.604 10.615 23.732 1.00 10.61 O ATOM 1431 CB TYR A 89 12.157 11.467 21.203 1.00 11.34 C ATOM 1432 CG TYR A 89 13.597 11.383 20.716 1.00 10.91 C ATOM 1433 CD1 TYR A 89 13.921 11.652 19.372 1.00 10.58 C ATOM 1434 CD2 TYR A 89 14.625 10.970 21.582 1.00 11.58 C ATOM 1435 CE1 TYR A 89 15.218 11.506 18.905 1.00 10.03 C ATOM 1436 CE2 TYR A 89 15.949 10.818 21.105 1.00 9.69 C ATOM 1437 CZ TYR A 89 16.229 11.085 19.771 1.00 9.86 C ATOM 1438 OH TYR A 89 17.493 10.892 19.243 1.00 10.35 O ATOM 1439 HA TYR A 89 12.392 9.610 22.194 1.00 0.00 H ATOM 1440 HB3 TYR A 89 12.114 12.136 22.062 1.00 0.00 H ATOM 1441 HB2 TYR A 89 11.537 11.867 20.401 1.00 0.00 H ATOM 1442 HD2 TYR A 89 14.401 10.765 22.629 1.00 0.00 H ATOM 1443 HE2 TYR A 89 16.742 10.494 21.779 1.00 0.00 H ATOM 1444 HE1 TYR A 89 15.449 11.720 17.861 1.00 0.00 H ATOM 1445 HD1 TYR A 89 13.139 11.980 18.688 1.00 0.00 H ATOM 1446 HH TYR A 89 17.490 11.137 18.284 1.00 0.00 H ATOM 1447 H TYR A 89 11.245 9.745 19.494 1.00 0.00 H ATOM 1448 N SER A 90 9.273 9.644 22.233 1.00 11.89 N ATOM 1449 CA SER A 90 8.131 9.573 23.155 1.00 12.88 C ATOM 1450 C SER A 90 8.287 8.316 24.037 1.00 14.62 C ATOM 1451 O SER A 90 7.583 8.157 25.046 1.00 16.06 O ATOM 1452 CB SER A 90 6.844 9.469 22.386 1.00 12.68 C ATOM 1453 OG SER A 90 6.633 10.627 21.597 1.00 14.50 O ATOM 1454 HA SER A 90 8.107 10.474 23.768 1.00 0.00 H ATOM 1455 HB2 SER A 90 6.017 9.358 23.087 1.00 0.00 H ATOM 1456 HB3 SER A 90 6.886 8.596 21.735 1.00 0.00 H ATOM 1457 HG SER A 90 7.381 10.729 20.956 1.00 0.00 H ATOM 1458 H SER A 90 9.164 9.301 21.257 1.00 0.00 H ATOM 1459 N LYS A 91 9.206 7.429 23.634 1.00 14.79 N ATOM 1460 CA LYS A 91 9.497 6.189 24.362 1.00 16.58 C ATOM 1461 C LYS A 91 10.901 6.189 25.026 1.00 16.35 C ATOM 1462 O LYS A 91 11.134 5.482 25.998 1.00 16.96 O ATOM 1463 CB LYS A 91 9.475 5.024 23.420 1.00 17.34 C ATOM 1464 CG LYS A 91 8.111 4.730 22.823 1.00 22.78 C ATOM 1465 CD LYS A 91 7.249 3.969 23.825 1.00 27.86 C ATOM 1466 CE LYS A 91 6.058 3.287 23.110 1.00 30.67 C ATOM 1467 NZ LYS A 91 5.342 2.332 24.030 1.00 33.99 N ATOM 1468 HA LYS A 91 8.732 6.114 25.134 1.00 0.00 H ATOM 1469 HB2 LYS A 91 10.168 5.231 22.604 1.00 0.00 H ATOM 1470 HB3 LYS A 91 9.808 4.139 23.963 1.00 0.00 H ATOM 1471 HG2 LYS A 91 7.620 5.669 22.566 1.00 0.00 H ATOM 1472 HG3 LYS A 91 8.234 4.127 21.923 1.00 0.00 H ATOM 1473 HD2 LYS A 91 7.856 3.208 24.316 1.00 0.00 H ATOM 1474 HD3 LYS A 91 6.868 4.665 24.572 1.00 0.00 H ATOM 1475 HE2 LYS A 91 6.430 2.737 22.246 1.00 0.00 H ATOM 1476 HE3 LYS A 91 5.357 4.053 22.777 1.00 0.00 H ATOM 1477 HZ1 LYS A 91 6.004 1.596 24.347 1.00 0.00 H ATOM 1478 HZ2 LYS A 91 4.980 2.852 24.854 1.00 0.00 H ATOM 1479 HZ3 LYS A 91 4.549 1.891 23.521 1.00 0.00 H ATOM 1480 H LYS A 91 9.739 7.629 22.763 1.00 0.00 H ATOM 1481 N HIS A 92 11.823 6.986 24.497 1.00 14.96 N ATOM 1482 CA HIS A 92 13.168 7.028 25.054 1.00 14.72 C ATOM 1483 C HIS A 92 13.555 8.456 25.345 1.00 13.25 C ATOM 1484 O HIS A 92 13.381 9.329 24.496 1.00 13.70 O ATOM 1485 CB HIS A 92 14.208 6.544 23.995 1.00 15.28 C ATOM 1486 CG HIS A 92 13.814 5.285 23.285 1.00 18.13 C ATOM 1487 ND1 HIS A 92 14.396 4.061 23.545 1.00 20.56 N ATOM 1488 CD2 HIS A 92 12.883 5.059 22.324 1.00 17.95 C ATOM 1489 CE1 HIS A 92 13.840 3.137 22.776 1.00 18.31 C ATOM 1490 NE2 HIS A 92 12.918 3.718 22.027 1.00 20.21 N ATOM 1491 HA HIS A 92 13.169 6.402 25.947 1.00 0.00 H ATOM 1492 HB2 HIS A 92 14.333 7.332 23.252 1.00 0.00 H ATOM 1493 HB3 HIS A 92 15.157 6.370 24.501 1.00 0.00 H ATOM 1494 HD2 HIS A 92 12.228 5.804 21.871 1.00 0.00 H ATOM 1495 HE1 HIS A 92 14.098 2.078 22.763 1.00 0.00 H ATOM 1496 H HIS A 92 11.583 7.583 23.680 1.00 0.00 H ATOM 1497 N ALA A 93 14.029 8.710 26.555 1.00 14.12 N ATOM 1498 CA ALA A 93 14.487 10.047 26.912 1.00 13.34 C ATOM 1499 C ALA A 93 15.925 10.238 26.198 1.00 13.78 C ATOM 1500 O ALA A 93 16.135 11.243 25.516 1.00 14.26 O ATOM 1501 CB ALA A 93 14.621 10.191 28.427 1.00 11.93 C ATOM 1502 HA ALA A 93 13.775 10.804 26.584 1.00 0.00 H ATOM 1503 HB1 ALA A 93 13.652 10.015 28.894 1.00 0.00 H ATOM 1504 HB2 ALA A 93 15.342 9.462 28.798 1.00 0.00 H ATOM 1505 HB3 ALA A 93 14.964 11.198 28.666 1.00 0.00 H ATOM 1506 H ALA A 93 14.075 7.946 27.259 1.00 0.00 H ATOM 1507 N ASP A 94 16.808 9.227 26.276 1.00 12.53 N ATOM 1508 CA ASP A 94 18.153 9.348 25.686 1.00 11.35 C ATOM 1509 C ASP A 94 18.773 10.632 26.205 1.00 10.54 C ATOM 1510 O ASP A 94 18.864 10.802 27.414 1.00 11.21 O ATOM 1511 CB ASP A 94 18.141 9.246 24.147 1.00 12.33 C ATOM 1512 CG ASP A 94 17.884 7.784 23.648 1.00 11.92 C ATOM 1513 OD1 ASP A 94 17.647 6.897 24.491 1.00 15.57 O ATOM 1514 OD2 ASP A 94 17.918 7.558 22.438 1.00 14.40 O ATOM 1515 HA ASP A 94 18.771 8.505 25.994 1.00 0.00 H ATOM 1516 HB2 ASP A 94 17.354 9.892 23.759 1.00 0.00 H ATOM 1517 HB3 ASP A 94 19.105 9.582 23.766 1.00 0.00 H ATOM 1518 H ASP A 94 16.538 8.347 26.760 1.00 0.00 H ATOM 1519 N GLY A 95 19.146 11.556 25.326 1.00 12.05 N ATOM 1520 CA GLY A 95 19.753 12.788 25.812 1.00 12.46 C ATOM 1521 C GLY A 95 18.786 13.944 26.042 1.00 13.66 C ATOM 1522 O GLY A 95 19.212 15.081 26.330 1.00 13.53 O ATOM 1523 HA3 GLY A 95 20.495 13.109 25.081 1.00 0.00 H ATOM 1524 HA2 GLY A 95 20.248 12.569 26.758 1.00 0.00 H ATOM 1525 H GLY A 95 19.007 11.402 24.307 1.00 0.00 H ATOM 1526 N LEU A 96 17.490 13.686 25.908 1.00 12.01 N ATOM 1527 CA LEU A 96 16.486 14.752 26.098 1.00 12.36 C ATOM 1528 C LEU A 96 16.168 14.972 27.544 1.00 11.32 C ATOM 1529 O LEU A 96 16.352 14.060 28.365 1.00 12.21 O ATOM 1530 CB LEU A 96 15.164 14.380 25.412 1.00 11.64 C ATOM 1531 CG LEU A 96 15.156 14.142 23.906 1.00 10.98 C ATOM 1532 CD1 LEU A 96 13.736 13.780 23.458 1.00 13.10 C ATOM 1533 CD2 LEU A 96 15.620 15.390 23.157 1.00 15.34 C ATOM 1534 HA LEU A 96 16.920 15.654 25.667 1.00 0.00 H ATOM 1535 HB2 LEU A 96 14.806 13.464 25.883 1.00 0.00 H ATOM 1536 HB3 LEU A 96 14.461 15.189 25.612 1.00 0.00 H ATOM 1537 HG LEU A 96 15.841 13.325 23.679 1.00 0.00 H ATOM 1538 HD21 LEU A 96 14.951 16.219 23.386 1.00 0.00 H ATOM 1539 HD22 LEU A 96 16.634 15.643 23.468 1.00 0.00 H ATOM 1540 HD23 LEU A 96 15.606 15.195 22.085 1.00 0.00 H ATOM 1541 HD11 LEU A 96 13.414 12.875 23.973 1.00 0.00 H ATOM 1542 HD12 LEU A 96 13.059 14.599 23.702 1.00 0.00 H ATOM 1543 HD13 LEU A 96 13.728 13.609 22.381 1.00 0.00 H ATOM 1544 H LEU A 96 17.179 12.723 25.667 1.00 0.00 H ATOM 1545 N CYS A 97 15.636 16.156 27.885 1.00 10.88 N ATOM 1546 CA CYS A 97 15.300 16.453 29.268 1.00 11.41 C ATOM 1547 C CYS A 97 14.213 15.507 29.819 1.00 11.66 C ATOM 1548 O CYS A 97 14.116 15.308 31.034 1.00 12.17 O ATOM 1549 CB CYS A 97 14.857 17.922 29.440 1.00 12.94 C ATOM 1550 SG CYS A 97 13.425 18.436 28.446 1.00 13.90 S ATOM 1551 HA CYS A 97 16.210 16.293 29.846 1.00 0.00 H ATOM 1552 HB2 CYS A 97 15.699 18.560 29.170 1.00 0.00 H ATOM 1553 HB3 CYS A 97 14.609 18.076 30.490 1.00 0.00 H ATOM 1554 HG CYS A 97 13.144 19.763 28.699 1.00 0.00 H ATOM 1555 H CYS A 97 15.462 16.871 27.150 1.00 0.00 H ATOM 1556 N HIS A 98 13.414 14.936 28.918 1.00 11.69 N ATOM 1557 CA HIS A 98 12.355 14.003 29.296 1.00 11.35 C ATOM 1558 C HIS A 98 11.840 13.394 28.037 1.00 10.55 C ATOM 1559 O HIS A 98 12.004 13.962 26.966 1.00 12.14 O ATOM 1560 CB HIS A 98 11.202 14.778 30.040 1.00 11.73 C ATOM 1561 CG HIS A 98 10.237 13.882 30.762 1.00 10.60 C ATOM 1562 ND1 HIS A 98 9.174 13.274 30.131 1.00 11.07 N ATOM 1563 CD2 HIS A 98 10.202 13.460 32.045 1.00 11.35 C ATOM 1564 CE1 HIS A 98 8.531 12.512 30.997 1.00 11.21 C ATOM 1565 NE2 HIS A 98 9.134 12.607 32.162 1.00 11.33 N ATOM 1566 HA HIS A 98 12.731 13.233 29.970 1.00 0.00 H ATOM 1567 HB2 HIS A 98 11.654 15.453 30.767 1.00 0.00 H ATOM 1568 HB3 HIS A 98 10.647 15.359 29.303 1.00 0.00 H ATOM 1569 HD2 HIS A 98 10.893 13.744 32.839 1.00 0.00 H ATOM 1570 HE1 HIS A 98 7.650 11.907 30.783 1.00 0.00 H ATOM 1571 H HIS A 98 13.549 15.162 27.912 1.00 0.00 H ATOM 1572 N ARG A 99 11.244 12.206 28.111 1.00 11.52 N ATOM 1573 CA ARG A 99 10.667 11.627 26.907 1.00 11.75 C ATOM 1574 C ARG A 99 9.460 12.542 26.519 1.00 9.82 C ATOM 1575 O ARG A 99 8.866 13.197 27.386 1.00 10.99 O ATOM 1576 CB ARG A 99 10.123 10.142 27.172 1.00 12.94 C ATOM 1577 CG ARG A 99 8.916 10.053 28.089 1.00 16.02 C ATOM 1578 CD ARG A 99 8.303 8.643 28.063 1.00 16.23 C ATOM 1579 NE ARG A 99 7.047 8.633 28.800 1.00 18.36 N ATOM 1580 CZ ARG A 99 5.829 8.675 28.245 1.00 18.65 C ATOM 1581 NH1 ARG A 99 5.664 8.703 26.924 1.00 18.36 N ATOM 1582 NH2 ARG A 99 4.773 8.848 29.033 1.00 20.17 N ATOM 1583 HA ARG A 99 11.421 11.567 26.122 1.00 0.00 H ATOM 1584 HB2 ARG A 99 9.851 9.705 26.211 1.00 0.00 H ATOM 1585 HB3 ARG A 99 10.930 9.561 27.618 1.00 0.00 H ATOM 1586 HG2 ARG A 99 9.224 10.289 29.108 1.00 0.00 H ATOM 1587 HG3 ARG A 99 8.166 10.773 27.762 1.00 0.00 H ATOM 1588 HD2 ARG A 99 8.997 7.939 28.522 1.00 0.00 H ATOM 1589 HD3 ARG A 99 8.118 8.348 27.030 1.00 0.00 H ATOM 1590 HE ARG A 99 7.100 8.590 29.838 1.00 0.00 H ATOM 1591 HH12 ARG A 99 4.706 8.735 26.520 1.00 0.00 H ATOM 1592 HH11 ARG A 99 6.493 8.692 26.296 1.00 0.00 H ATOM 1593 HH22 ARG A 99 3.818 8.884 28.622 1.00 0.00 H ATOM 1594 HH21 ARG A 99 4.901 8.948 30.060 1.00 0.00 H ATOM 1595 H ARG A 99 11.191 11.698 29.017 1.00 0.00 H ATOM 1596 N LEU A 100 9.129 12.584 25.243 1.00 10.96 N ATOM 1597 CA LEU A 100 7.994 13.390 24.793 1.00 11.48 C ATOM 1598 C LEU A 100 6.693 12.715 25.287 1.00 13.65 C ATOM 1599 O LEU A 100 6.518 11.494 25.127 1.00 13.71 O ATOM 1600 CB LEU A 100 7.972 13.489 23.330 1.00 11.10 C ATOM 1601 CG LEU A 100 9.344 14.020 22.694 1.00 10.47 C ATOM 1602 CD1 LEU A 100 9.181 14.117 21.161 1.00 8.67 C ATOM 1603 CD2 LEU A 100 9.795 15.335 23.371 1.00 9.90 C ATOM 1604 HA LEU A 100 8.082 14.398 25.199 1.00 0.00 H ATOM 1605 HB2 LEU A 100 7.764 12.500 22.922 1.00 0.00 H ATOM 1606 HB3 LEU A 100 7.173 14.173 23.044 1.00 0.00 H ATOM 1607 HG LEU A 100 10.154 13.316 22.885 1.00 0.00 H ATOM 1608 HD21 LEU A 100 9.027 16.096 23.232 1.00 0.00 H ATOM 1609 HD22 LEU A 100 9.947 15.160 24.436 1.00 0.00 H ATOM 1610 HD23 LEU A 100 10.728 15.673 22.920 1.00 0.00 H ATOM 1611 HD11 LEU A 100 8.945 13.132 20.759 1.00 0.00 H ATOM 1612 HD12 LEU A 100 8.373 14.810 20.926 1.00 0.00 H ATOM 1613 HD13 LEU A 100 10.110 14.478 20.720 1.00 0.00 H ATOM 1614 H LEU A 100 9.680 12.039 24.550 1.00 0.00 H ATOM 1615 N THR A 101 5.802 13.518 25.868 1.00 12.51 N ATOM 1616 CA THR A 101 4.555 13.013 26.401 1.00 13.22 C ATOM 1617 C THR A 101 3.337 13.488 25.576 1.00 15.20 C ATOM 1618 O THR A 101 2.873 12.781 24.664 1.00 17.41 O ATOM 1619 CB THR A 101 4.420 13.368 27.900 1.00 13.59 C ATOM 1620 OG1 THR A 101 4.597 14.779 28.091 1.00 13.76 O ATOM 1621 CG2 THR A 101 5.458 12.609 28.731 1.00 12.99 C ATOM 1622 HA THR A 101 4.572 11.926 26.318 1.00 0.00 H ATOM 1623 HB THR A 101 3.422 13.078 28.230 1.00 0.00 H ATOM 1624 HG1 THR A 101 4.509 14.994 29.053 1.00 0.00 H ATOM 1625 HG23 THR A 101 5.324 11.537 28.586 1.00 0.00 H ATOM 1626 HG21 THR A 101 6.459 12.898 28.411 1.00 0.00 H ATOM 1627 HG22 THR A 101 5.327 12.854 29.785 1.00 0.00 H ATOM 1628 H THR A 101 6.008 14.535 25.940 1.00 0.00 H ATOM 1629 N THR A 102 2.899 14.721 25.796 1.00 15.96 N ATOM 1630 CA THR A 102 1.745 15.232 25.053 1.00 17.21 C ATOM 1631 C THR A 102 1.996 16.493 24.336 1.00 15.65 C ATOM 1632 O THR A 102 2.913 17.248 24.673 1.00 15.06 O ATOM 1633 CB THR A 102 0.500 15.372 25.964 1.00 19.21 C ATOM 1634 OG1 THR A 102 0.855 16.075 27.174 1.00 21.71 O ATOM 1635 CG2 THR A 102 -0.082 13.949 26.267 1.00 22.03 C ATOM 1636 HA THR A 102 1.550 14.480 24.288 1.00 0.00 H ATOM 1637 HB THR A 102 -0.271 15.954 25.460 1.00 0.00 H ATOM 1638 HG1 THR A 102 0.055 16.161 27.751 1.00 0.00 H ATOM 1639 HG23 THR A 102 -0.336 13.455 25.329 1.00 0.00 H ATOM 1640 HG21 THR A 102 0.663 13.359 26.800 1.00 0.00 H ATOM 1641 HG22 THR A 102 -0.977 14.047 26.882 1.00 0.00 H ATOM 1642 H THR A 102 3.375 15.325 26.496 1.00 0.00 H ATOM 1643 N VAL A 103 1.191 16.720 23.317 1.00 14.74 N ATOM 1644 CA VAL A 103 1.289 17.910 22.504 1.00 15.73 C ATOM 1645 C VAL A 103 0.947 19.165 23.303 1.00 15.36 C ATOM 1646 O VAL A 103 0.009 19.179 24.105 1.00 14.67 O ATOM 1647 CB VAL A 103 0.359 17.824 21.305 1.00 16.85 C ATOM 1648 CG1 VAL A 103 0.659 18.946 20.338 1.00 18.57 C ATOM 1649 CG2 VAL A 103 0.544 16.498 20.611 1.00 21.05 C ATOM 1650 HA VAL A 103 2.322 17.977 22.164 1.00 0.00 H ATOM 1651 HB VAL A 103 -0.672 17.913 21.649 1.00 0.00 H ATOM 1652 HG11 VAL A 103 0.513 19.904 20.838 1.00 0.00 H ATOM 1653 HG12 VAL A 103 1.692 18.865 19.999 1.00 0.00 H ATOM 1654 HG13 VAL A 103 -0.013 18.876 19.482 1.00 0.00 H ATOM 1655 HG21 VAL A 103 1.577 16.406 20.275 1.00 0.00 H ATOM 1656 HG22 VAL A 103 0.314 15.690 21.306 1.00 0.00 H ATOM 1657 HG23 VAL A 103 -0.125 16.442 19.752 1.00 0.00 H ATOM 1658 H VAL A 103 0.459 16.017 23.090 1.00 0.00 H ATOM 1659 N CYS A 104 1.735 20.209 23.089 1.00 15.09 N ATOM 1660 CA CYS A 104 1.530 21.470 23.787 1.00 16.86 C ATOM 1661 C CYS A 104 0.170 22.090 23.453 1.00 17.74 C ATOM 1662 O CYS A 104 -0.301 22.021 22.331 1.00 16.32 O ATOM 1663 CB CYS A 104 2.500 22.527 23.303 1.00 16.35 C ATOM 1664 SG CYS A 104 2.657 23.950 24.395 1.00 19.44 S ATOM 1665 HA CYS A 104 1.641 21.224 24.843 1.00 0.00 H ATOM 1666 HB2 CYS A 104 2.161 22.880 22.329 1.00 0.00 H ATOM 1667 HB3 CYS A 104 3.483 22.066 23.200 1.00 0.00 H ATOM 1668 HG CYS A 104 1.428 24.563 24.529 1.00 0.00 H ATOM 1669 H CYS A 104 2.516 20.126 22.408 1.00 0.00 H ATOM 1670 N PRO A 105 -0.502 22.615 24.463 1.00 21.53 N ATOM 1671 CA PRO A 105 -1.801 23.257 24.263 1.00 26.07 C ATOM 1672 C PRO A 105 -1.558 24.549 23.481 1.00 30.00 C ATOM 1673 O PRO A 105 -0.481 25.137 23.585 1.00 31.99 O ATOM 1674 CB PRO A 105 -2.189 23.646 25.667 1.00 25.32 C ATOM 1675 CG PRO A 105 -1.540 22.567 26.530 1.00 24.96 C ATOM 1676 CD PRO A 105 -0.186 22.470 25.895 1.00 22.80 C ATOM 1677 HA PRO A 105 -2.535 22.640 23.745 1.00 0.00 H ATOM 1678 HD3 PRO A 105 0.470 23.270 26.238 1.00 0.00 H ATOM 1679 HD2 PRO A 105 0.280 21.506 26.102 1.00 0.00 H ATOM 1680 HG3 PRO A 105 -2.081 21.623 26.466 1.00 0.00 H ATOM 1681 HG2 PRO A 105 -1.472 22.875 27.573 1.00 0.00 H ATOM 1682 HB2 PRO A 105 -1.801 24.633 25.919 1.00 0.00 H ATOM 1683 HB3 PRO A 105 -3.272 23.642 25.787 1.00 0.00 H ATOM 1684 N THR A 106 -2.538 24.979 22.691 1.00 34.03 N ATOM 1685 CA THR A 106 -2.444 26.230 21.929 1.00 37.79 C ATOM 1686 C THR A 106 -3.018 27.480 22.743 1.00 37.75 C ATOM 1687 O THR A 106 -3.632 27.305 23.816 1.00 39.23 O ATOM 1688 CB THR A 106 -3.213 26.112 20.618 1.00 39.48 C ATOM 1689 OG1 THR A 106 -2.796 24.921 19.929 1.00 42.84 O ATOM 1690 CG2 THR A 106 -2.937 27.320 19.729 1.00 42.65 C ATOM 1691 HA THR A 106 -1.384 26.399 21.737 1.00 0.00 H ATOM 1692 HB THR A 106 -4.279 26.067 20.839 1.00 0.00 H ATOM 1693 HG1 THR A 106 -2.982 24.131 20.496 1.00 0.00 H ATOM 1694 HG23 THR A 106 -3.251 28.228 20.244 1.00 0.00 H ATOM 1695 HG21 THR A 106 -1.870 27.374 19.512 1.00 0.00 H ATOM 1696 HG22 THR A 106 -3.494 27.219 18.797 1.00 0.00 H ATOM 1697 H THR A 106 -3.403 24.407 22.610 1.00 0.00 H TER 1698 THR A 106 HETATM 1699 O HOH 1 5.303 13.592 32.268 1.00 11.82 O HETATM 1700 O HOH 2 15.981 16.230 32.741 1.00 15.99 O HETATM 1701 O HOH 3 19.045 9.363 20.937 1.00 15.36 O HETATM 1702 O HOH 4 5.143 33.147 16.953 1.00 15.65 O HETATM 1703 O HOH 5 7.176 20.353 32.346 1.00 15.56 O HETATM 1704 O HOH 6 5.496 20.764 34.980 1.00 19.40 O HETATM 1705 O HOH 7 0.512 12.466 16.258 1.00 21.47 O HETATM 1706 O HOH 8 15.212 33.475 19.621 1.00 29.36 O HETATM 1707 O HOH 9 20.845 18.544 16.318 1.00 18.64 O HETATM 1708 O HOH 10 9.930 5.426 16.030 1.00 14.14 O HETATM 1709 O HOH 11 20.999 4.822 17.756 1.00 20.07 O HETATM 1710 O HOH 12 18.807 4.200 19.138 1.00 28.02 O HETATM 1711 O HOH 13 5.857 6.190 20.667 1.00 23.24 O HETATM 1712 O HOH 14 21.585 8.338 20.538 1.00 17.98 O HETATM 1713 O HOH 15 19.497 15.844 29.197 1.00 22.00 O HETATM 1714 O HOH 16 3.620 31.347 29.868 1.00 21.67 O HETATM 1715 O HOH 17 3.862 11.050 21.742 1.00 31.46 O HETATM 1716 O HOH 18 12.655 27.937 30.352 1.00 19.74 O HETATM 1717 O HOH 19 10.184 33.433 26.845 1.00 20.94 O HETATM 1718 O HOH 20 7.496 33.706 27.181 1.00 37.21 O HETATM 1719 O HOH 21 10.581 29.394 14.960 1.00 21.66 O HETATM 1720 O HOH 22 4.106 9.842 24.558 1.00 35.63 O HETATM 1721 O HOH 23 7.744 4.675 14.575 1.00 20.27 O HETATM 1722 O HOH 24 9.813 31.138 12.689 1.00 27.00 O HETATM 1723 O HOH 25 11.387 29.980 10.509 1.00 27.05 O HETATM 1724 O HOH 26 15.092 18.024 34.585 1.00 28.85 O HETATM 1725 O HOH 27 15.230 30.797 25.350 1.00 19.15 O HETATM 1726 O HOH 28 14.128 27.639 8.491 1.00 58.86 O HETATM 1727 O HOH 29 4.934 35.303 21.622 1.00 25.53 O HETATM 1728 O HOH 30 -0.208 26.080 26.647 1.00 47.66 O HETATM 1729 O HOH 31 0.612 29.825 28.809 1.00 33.96 O HETATM 1730 O HOH 32 11.705 28.969 33.022 1.00 39.47 O HETATM 1731 O HOH 33 2.710 11.282 14.440 1.00 39.12 O HETATM 1732 O HOH 34 0.339 21.859 11.703 1.00 71.16 O HETATM 1733 O HOH 35 9.930 3.948 7.492 1.00 31.52 O HETATM 1734 O HOH 36 -2.386 21.870 20.816 1.00 19.18 O HETATM 1735 O HOH 37 8.677 8.939 31.407 1.00 22.57 O HETATM 1736 O HOH 38 22.351 20.190 14.594 1.00 32.77 O HETATM 1737 O HOH 39 16.366 26.497 27.084 1.00 27.23 O HETATM 1738 O HOH 40 -3.299 22.951 29.837 1.00 52.69 O HETATM 1739 O HOH 41 4.762 10.139 15.677 1.00 21.01 O HETATM 1740 O HOH 42 0.780 28.655 34.678 1.00 32.35 O HETATM 1741 O HOH 43 15.916 25.301 31.056 1.00 35.05 O HETATM 1742 O HOH 44 -2.406 20.578 18.353 1.00 33.64 O HETATM 1743 O HOH 45 28.769 12.018 19.844 1.00 30.41 O HETATM 1744 O HOH 46 6.033 9.245 32.286 1.00 48.10 O HETATM 1745 O HOH 47 5.956 6.660 13.196 1.00 42.40 O HETATM 1746 O HOH 48 30.531 8.047 20.224 1.00 35.47 O HETATM 1747 O HOH 49 8.020 6.276 6.643 1.00 48.73 O HETATM 1748 O HOH 50 27.125 9.709 13.528 1.00 50.97 O HETATM 1749 O HOH 51 1.564 24.012 10.782 1.00 61.45 O HETATM 1750 O HOH 52 -2.143 19.004 30.832 1.00 63.80 O HETATM 1751 O HOH 53 2.982 33.341 12.960 1.00 59.22 O HETATM 1752 O HOH 54 20.318 31.827 21.838 1.00 72.46 O HETATM 1753 O HOH 55 0.699 30.529 31.553 1.00 44.82 O HETATM 1754 O HOH 56 24.842 6.851 11.384 1.00 59.72 O HETATM 1755 O HOH 57 2.451 33.667 29.529 1.00 60.98 O HETATM 1756 O HOH 58 2.324 32.701 17.422 1.00 50.39 O HETATM 1757 O HOH 59 10.216 9.206 3.856 1.00 55.85 O HETATM 1758 O HOH 60 -0.692 24.314 29.024 1.00 43.08 O HETATM 1759 O HOH 61 21.741 19.148 18.848 1.00 33.99 O HETATM 1760 O HOH 62 0.452 29.537 18.343 1.00 53.61 O HETATM 1761 O HOH 63 9.861 30.417 7.280 1.00 32.14 O HETATM 1762 O HOH 64 -4.410 26.824 30.584 1.00 49.23 O HETATM 1763 O HOH 65 -0.868 24.395 15.736 1.00 42.13 O HETATM 1764 O HOH 66 4.871 36.182 24.201 1.00 38.66 O HETATM 1765 O HOH 67 20.924 33.048 15.540 1.00 55.21 O HETATM 1766 O HOH 68 18.289 22.288 32.632 1.00 81.21 O HETATM 1767 O HOH 69 11.279 17.466 41.152 1.00 54.44 O HETATM 1768 O HOH 70 6.923 29.317 7.190 1.00 34.84 O HETATM 1769 O HOH 71 10.421 26.908 5.465 1.00 59.30 O HETATM 1770 O HOH 72 -3.227 27.454 32.910 1.00 64.13 O HETATM 1771 O HOH 73 30.490 7.373 15.008 1.00 52.22 O HETATM 1772 O HOH 74 16.223 27.037 43.445 1.00100.00 O HETATM 1773 O HOH 75 20.797 6.088 12.989 1.00 15.09 O HETATM 1774 O HOH 76 18.951 32.092 24.619 1.00 46.92 O HETATM 1775 O HOH 77 21.165 22.665 28.211 1.00 35.75 O HETATM 1776 O HOH 78 18.578 17.677 27.527 1.00 22.15 O HETATM 1777 O HOH 79 8.298 33.579 6.193 1.00 50.58 O HETATM 1778 O HOH 80 17.678 6.366 27.250 1.00 34.10 O HETATM 1779 O HOH 81 21.596 23.332 20.489 1.00 92.69 O HETATM 1780 O HOH 82 -0.289 19.700 29.037 1.00 43.88 O HETATM 1781 O HOH 83 19.699 29.562 20.356 1.00 97.85 O HETATM 1782 O HOH 84 0.290 33.736 27.988 1.00 56.75 O HETATM 1783 O HOH 85 19.966 20.762 19.992 1.00 22.45 O HETATM 1784 O HOH 86 8.229 11.709 34.407 1.00 29.30 O HETATM 1785 O HOH 87 3.484 27.562 9.825 1.00 35.56 O HETATM 1786 O HOH 88 6.851 24.913 8.345 1.00 27.12 O HETATM 1787 O HOH 89 5.663 34.487 10.489 1.00 35.75 O HETATM 1788 O HOH 90 7.938 25.963 38.351 1.00 22.21 O HETATM 1789 O HOH 91 11.490 34.282 19.729 1.00 11.30 O HETATM 1790 O HOH 92 -0.936 28.633 27.000 1.00 45.04 O HETATM 1791 O HOH 93 -2.158 18.942 33.866 1.00 20.96 O HETATM 1792 O HOH 94 14.617 20.771 34.502 1.00 36.08 O HETATM 1793 O HOH 95 0.868 11.885 22.824 1.00 25.76 O HETATM 1794 O HOH 96 17.363 25.070 25.049 1.00 17.07 O HETATM 1795 O HOH 97 18.503 11.869 16.929 1.00 11.56 O HETATM 1796 O HOH 98 8.721 13.554 7.978 1.00 20.50 O HETATM 1797 O HOH 99 8.389 3.001 12.656 1.00 24.71 O HETATM 1798 O HOH 100 18.676 12.990 28.996 1.00 12.61 O HETATM 1799 O HOH 101 12.244 23.031 7.194 1.00 54.35 O HETATM 1800 O HOH 102 0.675 27.846 15.559 1.00 64.24 O HETATM 1801 O HOH 103 1.218 30.170 12.742 1.00 55.49 O HETATM 1802 O HOH 104 5.687 35.486 26.576 1.00 27.97 O HETATM 1803 O HOH 105 5.392 28.904 34.320 1.00 61.35 O HETATM 1804 O HOH 106 -4.666 25.298 36.849 1.00 57.95 O HETATM 1805 O HOH 107 13.080 25.207 8.502 1.00 46.61 O HETATM 1806 O HOH 108 18.054 20.530 8.709 1.00 36.56 O HETATM 1807 O HOH 109 14.085 27.983 35.577 1.00 28.22 O HETATM 1808 O HOH 110 -4.977 23.795 17.776 1.00 58.44 O HETATM 1809 O HOH 111 12.814 5.573 10.744 1.00 18.29 O HETATM 1810 O HOH 112 10.194 11.538 36.559 1.00 52.25 O HETATM 1811 O HOH 113 -2.967 31.101 24.044 1.00 50.64 O HETATM 1812 O HOH 114 13.102 29.384 28.334 1.00 48.56 O HETATM 1813 O HOH 115 5.161 9.547 7.083 1.00 58.62 O HETATM 1814 O HOH 116 11.476 0.711 23.269 1.00 42.80 O HETATM 1815 O HOH 117 9.958 28.529 37.905 1.00 81.82 O HETATM 1816 O HOH 118 22.962 20.301 29.110 1.00 43.05 O HETATM 1817 O HOH 119 21.880 33.874 13.234 1.00 46.99 O HETATM 1818 O HOH 120 5.018 27.576 37.448 1.00 46.02 O HETATM 1819 O HOH 121 15.122 28.299 31.265 1.00 84.05 O HETATM 1820 O HOH 122 11.915 28.137 40.208 1.00 76.60 O HETATM 1821 O HOH 123 11.096 24.662 42.392 1.00 42.86 O HETATM 1822 O HOH 124 7.044 32.344 33.065 1.00 68.90 O HETATM 1823 O HOH 125 11.265 1.663 25.978 1.00 53.75 O HETATM 1824 O HOH 126 -1.993 22.094 16.190 1.00 44.80 O HETATM 1825 O HOH 127 2.294 24.498 8.221 1.00 55.96 O HETATM 1826 O HOH 128 25.390 5.987 18.418 1.00 82.52 O HETATM 1827 O HOH 129 28.021 6.022 17.021 1.00 60.51 O HETATM 1828 O HOH 130 -1.355 30.059 20.650 1.00 68.89 O HETATM 1829 O HOH 131 5.477 26.343 4.536 1.00 83.85 O HETATM 1830 O HOH 132 8.817 29.180 34.869 1.00 47.03 O HETATM 1831 O HOH 133 13.339 0.030 25.664 1.00 54.10 O HETATM 1832 O HOH 134 9.860 24.214 7.679 1.00 63.63 O HETATM 1833 O HOH 135 6.284 33.818 29.501 1.00 65.50 O HETATM 1834 O HOH 136 3.732 36.477 28.494 1.00 65.58 O HETATM 1835 O HOH 137 10.178 32.964 29.614 1.00 68.74 O HETATM 1836 O HOH 138 14.220 32.743 28.701 1.00 65.79 O HETATM 1837 O HOH 139 1.856 37.313 24.714 1.00 89.92 O HETATM 1838 O HOH 140 -1.581 27.854 35.266 1.00 58.62 O HETATM 1839 O HOH 141 6.888 1.493 26.750 1.00 67.69 O HETATM 1840 O HOH 142 18.599 25.234 29.868 1.00 76.88 O HETATM 1841 O HOH 143 19.321 24.088 26.697 1.00 52.47 O HETATM 1842 O HOH 144 20.512 20.182 7.373 1.00 86.87 O HETATM 1843 O HOH 145 8.941 12.215 5.525 1.00 58.41 O HETATM 1844 O HOH 146 6.284 7.689 8.998 1.00 46.12 O HETATM 1845 O HOH 147 -0.833 18.768 26.484 1.00 33.32 O HETATM 1846 O HOH 148 16.915 29.089 26.534 1.00 35.42 O HETATM 1847 O HOH 149 -4.122 30.126 20.684 1.00 55.08 O HETATM 1848 O HOH 150 -0.825 12.551 8.596 1.00 61.46 O HETATM 1849 O HOH 151 10.026 16.419 38.495 1.00 38.31 O HETATM 1850 O HOH 152 -3.776 16.239 19.571 1.00 32.94 O HETATM 1851 O HOH 153 -0.876 14.463 22.396 1.00 44.09 O HETATM 1852 O HOH 154 0.475 13.835 19.703 1.00 56.36 O HETATM 1853 O HOH 155 22.008 15.584 27.239 1.00 44.71 O HETATM 1854 O HOH 156 25.108 5.776 13.800 1.00 64.63 O HETATM 1855 O HOH 157 -5.483 26.410 25.793 1.00 51.10 O HETATM 1856 C1 UNN A 158 19.109 24.653 20.979 1.00 -0.04 C HETATM 1857 C2 UNN A 158 19.874 25.229 21.962 1.00 0.15 C HETATM 1858 N3 UNN A 158 20.199 26.722 22.111 1.00 -0.22 N HETATM 1859 C4 UNN A 158 19.453 27.436 22.961 1.00 0.21 C HETATM 1860 C5 UNN A 158 19.914 28.858 23.291 1.00 0.03 C HETATM 1861 H3 UNN A 158 19.207 29.318 23.997 1.00 0.05 H HETATM 1862 H4 UNN A 158 19.951 29.455 22.368 1.00 0.05 H HETATM 1863 H5 UNN A 158 20.915 28.823 23.745 1.00 0.05 H HETATM 1864 O9 UNN A 158 18.505 26.925 23.544 1.00 -0.38 O HETATM 1865 H2 UNN A 158 20.941 27.145 21.591 1.00 0.24 H HETATM 1866 C10 UNN A 158 20.489 24.321 23.046 1.00 0.24 C HETATM 1867 O11 UNN A 158 21.583 24.680 23.515 1.00 -0.38 O HETATM 1868 N12 UNN A 158 19.798 23.200 23.484 1.00 -0.26 N HETATM 1869 C14 UNN A 158 20.376 22.338 24.469 1.00 0.13 C HETATM 1870 C15 UNN A 158 19.239 21.516 25.013 1.00 -0.01 C HETATM 1871 C16 UNN A 158 19.540 20.779 26.291 1.00 -0.05 C HETATM 1872 C19 UNN A 158 20.660 19.732 26.169 1.00 -0.03 C HETATM 1873 C22 UNN A 158 22.026 20.350 25.896 1.00 0.04 C HETATM 1874 N26 UNN A 158 22.277 20.658 24.465 1.00 -0.26 N HETATM 1875 C25 UNN A 158 21.471 21.538 23.690 1.00 0.21 C HETATM 1876 O29 UNN A 158 21.596 21.665 22.453 1.00 -0.39 O HETATM 1877 C30 UNN A 158 23.341 19.777 23.819 1.00 0.07 C HETATM 1878 C31 UNN A 158 22.789 18.419 23.506 1.00 -0.02 C HETATM 1879 C34 UNN A 158 23.284 17.204 24.041 1.00 -0.06 C HETATM 1880 C35 UNN A 158 22.573 15.995 23.751 1.00 -0.06 C HETATM 1881 C36 UNN A 158 21.392 15.976 22.945 1.00 -0.02 C HETATM 1882 C37 UNN A 158 20.881 17.185 22.466 1.00 -0.06 C HETATM 1883 C38 UNN A 158 21.589 18.393 22.728 1.00 -0.06 C HETATM 1884 H21 UNN A 158 21.206 19.323 22.325 1.00 0.06 H HETATM 1885 H20 UNN A 158 19.956 17.203 21.901 1.00 0.06 H HETATM 1886 C43 UNN A 158 20.701 14.703 22.522 1.00 -0.02 C HETATM 1887 C44 UNN A 158 21.436 13.452 22.465 1.00 -0.06 C HETATM 1888 C45 UNN A 158 20.697 12.236 22.256 1.00 -0.06 C HETATM 1889 C46 UNN A 158 19.309 12.272 22.105 1.00 -0.06 C HETATM 1890 C47 UNN A 158 18.608 13.509 22.031 1.00 -0.06 C HETATM 1891 C48 UNN A 158 19.291 14.711 22.237 1.00 -0.06 C HETATM 1892 H26 UNN A 158 18.756 15.652 22.182 1.00 0.06 H HETATM 1893 H25 UNN A 158 17.546 13.519 21.815 1.00 0.06 H HETATM 1894 H24 UNN A 158 18.756 11.342 22.043 1.00 0.06 H HETATM 1895 H23 UNN A 158 21.220 11.287 22.215 1.00 0.06 H HETATM 1896 H22 UNN A 158 22.514 13.435 22.577 1.00 0.06 H HETATM 1897 H19 UNN A 158 22.944 15.061 24.157 1.00 0.06 H HETATM 1898 H18 UNN A 158 24.178 17.190 24.654 1.00 0.06 H HETATM 1899 H16 UNN A 158 24.190 19.671 24.511 1.00 0.07 H HETATM 1900 H17 UNN A 158 23.684 20.250 22.887 1.00 0.07 H HETATM 1901 H14 UNN A 158 22.799 19.646 26.238 1.00 0.05 H HETATM 1902 H15 UNN A 158 22.103 21.286 26.469 1.00 0.05 H HETATM 1903 H12 UNN A 158 20.413 19.049 25.343 1.00 0.03 H HETATM 1904 H13 UNN A 158 20.714 19.165 27.110 1.00 0.03 H HETATM 1905 H10 UNN A 158 18.623 20.266 26.617 1.00 0.03 H HETATM 1906 H11 UNN A 158 19.838 21.516 27.051 1.00 0.03 H HETATM 1907 H8 UNN A 158 18.958 20.775 24.250 1.00 0.03 H HETATM 1908 H9 UNN A 158 18.390 22.190 25.200 1.00 0.03 H HETATM 1909 H7 UNN A 158 20.842 22.907 25.287 1.00 0.08 H HETATM 1910 H6 UNN A 158 18.894 22.994 23.110 1.00 0.19 H HETATM 1911 C56 UNN A 158 18.512 25.444 19.881 1.00 -0.06 C HETATM 1912 C57 UNN A 158 19.000 26.746 19.520 1.00 -0.08 C HETATM 1913 C58 UNN A 158 18.438 27.495 18.429 1.00 -0.07 C HETATM 1914 C59 UNN A 158 17.356 26.921 17.661 1.00 -0.03 C HETATM 1915 C60 UNN A 158 16.885 25.581 18.005 1.00 -0.02 C HETATM 1916 C61 UNN A 158 17.450 24.908 19.115 1.00 -0.07 C HETATM 1917 H29 UNN A 158 17.051 23.938 19.390 1.00 0.05 H HETATM 1918 C71 UNN A 158 16.055 24.715 17.188 1.00 0.07 C HETATM 1919 O72 UNN A 158 16.615 24.200 16.084 1.00 -0.38 O HETATM 1920 H34 UNN A 158 15.981 23.654 15.634 1.00 0.21 H HETATM 1921 H32 UNN A 158 15.176 25.297 16.874 1.00 0.07 H HETATM 1922 H33 UNN A 158 15.731 23.874 17.819 1.00 0.07 H HETATM 1923 C65 UNN A 158 16.706 27.846 16.603 1.00 0.03 C HETATM 1924 C66 UNN A 158 15.403 28.560 17.265 1.00 0.04 C HETATM 1925 O69 UNN A 158 14.565 29.027 16.549 1.00 -0.57 O HETATM 1926 O70 UNN A 158 15.224 28.586 18.643 1.00 -0.57 O HETATM 1927 H30 UNN A 158 16.399 27.251 15.730 1.00 0.06 H HETATM 1928 H31 UNN A 158 17.428 28.613 16.288 1.00 0.06 H HETATM 1929 H28 UNN A 158 18.821 28.479 18.185 1.00 0.05 H HETATM 1930 H27 UNN A 158 19.817 27.177 20.087 1.00 0.05 H HETATM 1931 H1 UNN A 158 18.936 23.578 21.008 1.00 0.04 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1856 1857 1911 1931 CONECT 1857 1856 1858 1866 CONECT 1858 1857 1859 1865 CONECT 1859 1858 1860 1864 CONECT 1860 1859 1861 1862 1863 CONECT 1861 1860 CONECT 1862 1860 CONECT 1863 1860 CONECT 1864 1859 CONECT 1865 1858 CONECT 1866 1857 1867 1868 CONECT 1867 1866 CONECT 1868 1866 1869 1910 CONECT 1869 1868 1870 1875 1909 CONECT 1870 1869 1871 1907 1908 CONECT 1871 1870 1872 1905 1906 CONECT 1872 1871 1873 1903 1904 CONECT 1873 1872 1874 1901 1902 CONECT 1874 1873 1875 1877 CONECT 1875 1869 1874 1876 CONECT 1876 1875 CONECT 1877 1874 1878 1899 1900 CONECT 1878 1877 1879 1883 CONECT 1879 1878 1880 1898 CONECT 1880 1879 1881 1897 CONECT 1881 1880 1882 1886 CONECT 1882 1881 1883 1885 CONECT 1883 1878 1882 1884 CONECT 1884 1883 CONECT 1885 1882 CONECT 1886 1881 1887 1891 CONECT 1887 1886 1888 1896 CONECT 1888 1887 1889 1895 CONECT 1889 1888 1890 1894 CONECT 1890 1889 1891 1893 CONECT 1891 1886 1890 1892 CONECT 1892 1891 CONECT 1893 1890 CONECT 1894 1889 CONECT 1895 1888 CONECT 1896 1887 CONECT 1897 1880 CONECT 1898 1879 CONECT 1899 1877 CONECT 1900 1877 CONECT 1901 1873 CONECT 1902 1873 CONECT 1903 1872 CONECT 1904 1872 CONECT 1905 1871 CONECT 1906 1871 CONECT 1907 1870 CONECT 1908 1870 CONECT 1909 1869 CONECT 1910 1868 CONECT 1911 1856 1912 1916 CONECT 1912 1911 1913 1930 CONECT 1913 1912 1914 1929 CONECT 1914 1913 1915 1923 CONECT 1915 1914 1916 1918 CONECT 1916 1911 1915 1917 CONECT 1917 1916 CONECT 1918 1915 1919 1921 1922 CONECT 1919 1918 1920 CONECT 1920 1919 CONECT 1921 1918 CONECT 1922 1918 CONECT 1923 1914 1924 1927 1928 CONECT 1924 1923 1925 1926 CONECT 1925 1924 CONECT 1926 1924 CONECT 1927 1923 CONECT 1928 1923 CONECT 1929 1913 CONECT 1930 1912 CONECT 1931 1856 MASTER 0 0 0 0 0 0 0 0 1930 1 80 9 END
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Related entries of code: 1o43
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%
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%
1skj
RCSB PDB
PDBbind
113aa, >1SKJ_1|Chain... at 90%
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
1o43
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
proto-oncogene tyrosine-protein kinase src
Ligand Name
821
EC.Number
E.C.2.7.1.112
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
IC50=2.2uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. v46 pp. 5184-95, 2003
Ligand Properties
Formula
C
3
3
H
3
5
N
3
O
6
Molecular Weight
569.647
Exact Mass
569.253
No. of atoms
77
No. of bonds
80
Polar Surface Area
136.04
LOGP Value
4.56 (
Computed with XLOGP3
)
4.37 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
OCc1cc(ccc1CC(=O)O)/C=C(/C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)\NC(=O)C
InChI String
InChI=1S/C33H35N3O6/c1-22(38)34-30(18-24-12-15-27(19-31(39)40)28(17-24)21-37)32(41)35-29-9-5-6-16-36(33(29)42)20-23-10-13-26(14-11-23)25-7-3-2-4-8-25/h2-4,7-8,10-15,17-18,29,37H,5-6,9,16,19-21H2,1H3,(H,34,38)(H,35,41)(H,39,40)/b30-18-/t29-/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):
P12931
Entrez Gene ID
NCBI Entrez Gene ID:
6714
ASD
Information of known allosteric effects of PDB entries
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