Browse entries in the PDBbind-CN Database
HEADER 1O42_COMPLEX COMPND 1O42_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 239 73 ATOM 1 N SER A 1 2.335 14.421 5.976 1.00 52.20 N ATOM 2 CA SER A 1 2.532 15.903 6.074 1.00 51.36 C ATOM 3 C SER A 1 2.721 16.319 7.526 1.00 49.97 C ATOM 4 O SER A 1 1.844 16.079 8.367 1.00 50.05 O ATOM 5 CB SER A 1 1.314 16.677 5.471 1.00 52.02 C ATOM 6 OG SER A 1 1.585 18.075 5.362 1.00 53.75 O ATOM 7 HA SER A 1 3.425 16.154 5.502 1.00 0.00 H ATOM 8 HB2 SER A 1 0.448 16.533 6.117 1.00 0.00 H ATOM 9 HB3 SER A 1 1.097 16.280 4.480 1.00 0.00 H ATOM 10 HG SER A 1 0.796 18.534 4.978 1.00 0.00 H ATOM 11 HN3 SER A 1 1.491 14.148 6.519 1.00 0.00 H ATOM 12 HN2 SER A 1 3.170 13.935 6.362 1.00 0.00 H ATOM 13 HN1 SER A 1 2.208 14.155 4.979 1.00 0.00 H ATOM 14 N ILE A 2 3.856 16.960 7.807 1.00 48.00 N ATOM 15 CA ILE A 2 4.149 17.415 9.160 1.00 45.71 C ATOM 16 C ILE A 2 3.218 18.554 9.536 1.00 43.52 C ATOM 17 O ILE A 2 2.907 18.778 10.673 1.00 43.36 O ATOM 18 CB ILE A 2 5.627 17.858 9.327 1.00 45.87 C ATOM 19 CG1 ILE A 2 5.904 19.100 8.521 1.00 45.82 C ATOM 20 CG2 ILE A 2 6.557 16.715 8.926 1.00 45.33 C ATOM 21 CD1 ILE A 2 7.268 19.670 8.758 1.00 47.57 C ATOM 22 HA ILE A 2 3.988 16.570 9.830 1.00 0.00 H ATOM 23 HB ILE A 2 5.811 18.100 10.374 1.00 0.00 H ATOM 24 HG12 ILE A 2 5.811 18.854 7.463 1.00 0.00 H ATOM 25 HG13 ILE A 2 5.163 19.855 8.784 1.00 0.00 H ATOM 26 HD11 ILE A 2 7.373 19.932 9.811 1.00 0.00 H ATOM 27 HD12 ILE A 2 8.021 18.930 8.489 1.00 0.00 H ATOM 28 HD13 ILE A 2 7.399 20.562 8.146 1.00 0.00 H ATOM 29 HG21 ILE A 2 6.364 15.851 9.562 1.00 0.00 H ATOM 30 HG22 ILE A 2 6.375 16.448 7.885 1.00 0.00 H ATOM 31 HG23 ILE A 2 7.593 17.032 9.045 1.00 0.00 H ATOM 32 H ILE A 2 4.544 17.138 7.048 1.00 0.00 H ATOM 33 N GLN A 3 2.724 19.252 8.532 1.00 41.53 N ATOM 34 CA GLN A 3 1.827 20.354 8.812 1.00 40.43 C ATOM 35 C GLN A 3 0.482 19.787 9.243 1.00 37.86 C ATOM 36 O GLN A 3 -0.330 20.461 9.804 1.00 37.94 O ATOM 37 CB GLN A 3 1.736 21.267 7.596 1.00 42.86 C ATOM 38 CG GLN A 3 3.175 21.512 6.979 1.00 47.14 C ATOM 39 CD GLN A 3 3.372 22.887 6.378 1.00 49.01 C ATOM 40 OE1 GLN A 3 4.127 23.719 6.913 1.00 49.11 O ATOM 41 NE2 GLN A 3 2.727 23.127 5.238 1.00 50.83 N ATOM 42 HA GLN A 3 2.201 20.970 9.629 1.00 0.00 H ATOM 43 HB2 GLN A 3 1.097 20.802 6.845 1.00 0.00 H ATOM 44 HB3 GLN A 3 1.306 22.223 7.896 1.00 0.00 H ATOM 45 HG2 GLN A 3 3.913 21.376 7.770 1.00 0.00 H ATOM 46 HG3 GLN A 3 3.342 20.771 6.197 1.00 0.00 H ATOM 47 HE22 GLN A 3 2.106 22.400 4.829 1.00 0.00 H ATOM 48 HE21 GLN A 3 2.844 24.042 4.757 1.00 0.00 H ATOM 49 H GLN A 3 2.975 19.014 7.551 1.00 0.00 H ATOM 50 N ALA A 4 0.304 18.492 9.006 1.00 35.10 N ATOM 51 CA ALA A 4 -0.921 17.775 9.379 1.00 32.42 C ATOM 52 C ALA A 4 -0.858 17.351 10.861 1.00 29.59 C ATOM 53 O ALA A 4 -1.872 17.102 11.524 1.00 29.67 O ATOM 54 CB ALA A 4 -1.090 16.532 8.485 1.00 32.06 C ATOM 55 HA ALA A 4 -1.776 18.437 9.238 1.00 0.00 H ATOM 56 HB1 ALA A 4 -1.156 16.842 7.442 1.00 0.00 H ATOM 57 HB2 ALA A 4 -0.232 15.873 8.615 1.00 0.00 H ATOM 58 HB3 ALA A 4 -2.001 16.004 8.767 1.00 0.00 H ATOM 59 H ALA A 4 1.066 17.963 8.536 1.00 0.00 H ATOM 60 N GLU A 5 0.357 17.326 11.392 1.00 25.32 N ATOM 61 CA GLU A 5 0.597 16.918 12.761 1.00 21.59 C ATOM 62 C GLU A 5 0.172 17.988 13.764 1.00 18.76 C ATOM 63 O GLU A 5 0.529 19.170 13.655 1.00 16.22 O ATOM 64 CB GLU A 5 2.045 16.597 12.901 1.00 22.69 C ATOM 65 CG GLU A 5 2.511 15.566 11.863 1.00 25.74 C ATOM 66 CD GLU A 5 1.738 14.259 11.974 1.00 28.21 C ATOM 67 OE1 GLU A 5 1.381 13.683 10.928 1.00 30.61 O ATOM 68 OE2 GLU A 5 1.495 13.794 13.108 1.00 28.03 O ATOM 69 HA GLU A 5 -0.008 16.039 12.984 1.00 0.00 H ATOM 70 HB2 GLU A 5 2.622 17.512 12.771 1.00 0.00 H ATOM 71 HB3 GLU A 5 2.222 16.196 13.899 1.00 0.00 H ATOM 72 HG2 GLU A 5 2.364 15.979 10.865 1.00 0.00 H ATOM 73 HG3 GLU A 5 3.571 15.363 12.018 1.00 0.00 H ATOM 74 H GLU A 5 1.167 17.610 10.804 1.00 0.00 H ATOM 75 N GLU A 6 -0.606 17.570 14.759 1.00 15.64 N ATOM 76 CA GLU A 6 -1.095 18.510 15.788 1.00 14.47 C ATOM 77 C GLU A 6 0.023 19.152 16.626 1.00 13.33 C ATOM 78 O GLU A 6 -0.202 20.220 17.212 1.00 12.84 O ATOM 79 CB GLU A 6 -2.179 17.822 16.777 1.00 13.89 C ATOM 80 CG GLU A 6 -1.628 16.790 17.702 1.00 12.67 C ATOM 81 CD GLU A 6 -1.510 15.414 17.091 1.00 10.78 C ATOM 82 OE1 GLU A 6 -1.200 14.478 17.836 1.00 12.37 O ATOM 83 OE2 GLU A 6 -1.707 15.251 15.878 1.00 10.08 O ATOM 84 HA GLU A 6 -1.577 19.306 15.221 1.00 0.00 H ATOM 85 HB2 GLU A 6 -2.633 18.608 17.380 1.00 0.00 H ATOM 86 HB3 GLU A 6 -2.945 17.350 16.162 1.00 0.00 H ATOM 87 HG2 GLU A 6 -0.636 17.110 18.020 1.00 0.00 H ATOM 88 HG3 GLU A 6 -2.283 16.724 18.571 1.00 0.00 H ATOM 89 H GLU A 6 -0.874 16.567 14.813 1.00 0.00 H ATOM 90 N TRP A 7 1.146 18.454 16.781 1.00 11.53 N ATOM 91 CA TRP A 7 2.285 18.993 17.527 1.00 12.34 C ATOM 92 C TRP A 7 3.177 19.877 16.654 1.00 12.87 C ATOM 93 O TRP A 7 4.157 20.419 17.175 1.00 11.92 O ATOM 94 CB TRP A 7 3.148 17.859 18.145 1.00 12.45 C ATOM 95 CG TRP A 7 3.316 16.637 17.288 1.00 11.92 C ATOM 96 CD1 TRP A 7 2.638 15.451 17.412 1.00 13.57 C ATOM 97 CD2 TRP A 7 4.220 16.462 16.193 1.00 12.88 C ATOM 98 NE1 TRP A 7 3.060 14.553 16.465 1.00 12.84 N ATOM 99 CE2 TRP A 7 4.036 15.150 15.698 1.00 14.28 C ATOM 100 CE3 TRP A 7 5.170 17.287 15.565 1.00 12.61 C ATOM 101 CZ2 TRP A 7 4.762 14.650 14.604 1.00 14.98 C ATOM 102 CZ3 TRP A 7 5.877 16.801 14.494 1.00 11.73 C ATOM 103 CH2 TRP A 7 5.678 15.504 14.020 1.00 14.41 C ATOM 104 HA TRP A 7 1.862 19.602 18.326 1.00 0.00 H ATOM 105 HB2 TRP A 7 4.139 18.264 18.351 1.00 0.00 H ATOM 106 HB3 TRP A 7 2.681 17.552 19.081 1.00 0.00 H ATOM 107 HE1 TRP A 7 2.703 13.584 16.346 1.00 0.00 H ATOM 108 HD1 TRP A 7 1.870 15.250 18.159 1.00 0.00 H ATOM 109 HZ2 TRP A 7 4.610 13.636 14.233 1.00 0.00 H ATOM 110 HH2 TRP A 7 6.260 15.155 13.167 1.00 0.00 H ATOM 111 HZ3 TRP A 7 6.610 17.442 14.003 1.00 0.00 H ATOM 112 HE3 TRP A 7 5.343 18.301 15.925 1.00 0.00 H ATOM 113 H TRP A 7 1.216 17.504 16.363 1.00 0.00 H ATOM 114 N TYR A 8 2.882 19.990 15.353 1.00 12.70 N ATOM 115 CA TYR A 8 3.703 20.829 14.489 1.00 12.92 C ATOM 116 C TYR A 8 3.133 22.243 14.495 1.00 13.00 C ATOM 117 O TYR A 8 2.071 22.485 13.897 1.00 14.41 O ATOM 118 CB TYR A 8 3.760 20.296 13.081 1.00 13.83 C ATOM 119 CG TYR A 8 4.759 21.075 12.236 1.00 16.57 C ATOM 120 CD1 TYR A 8 6.134 20.989 12.501 1.00 17.56 C ATOM 121 CD2 TYR A 8 4.329 22.000 11.267 1.00 17.50 C ATOM 122 CE1 TYR A 8 7.059 21.829 11.828 1.00 18.78 C ATOM 123 CE2 TYR A 8 5.245 22.837 10.592 1.00 17.92 C ATOM 124 CZ TYR A 8 6.599 22.741 10.884 1.00 18.52 C ATOM 125 OH TYR A 8 7.508 23.533 10.231 1.00 21.24 O ATOM 126 HA TYR A 8 4.723 20.831 14.872 1.00 0.00 H ATOM 127 HB3 TYR A 8 2.771 20.378 12.629 1.00 0.00 H ATOM 128 HB2 TYR A 8 4.059 19.248 13.109 1.00 0.00 H ATOM 129 HD2 TYR A 8 3.267 22.072 11.032 1.00 0.00 H ATOM 130 HE2 TYR A 8 4.892 23.552 9.849 1.00 0.00 H ATOM 131 HE1 TYR A 8 8.124 21.760 12.050 1.00 0.00 H ATOM 132 HD1 TYR A 8 6.497 20.268 13.233 1.00 0.00 H ATOM 133 HH TYR A 8 7.297 24.485 10.401 1.00 0.00 H ATOM 134 H TYR A 8 2.067 19.479 14.959 1.00 0.00 H ATOM 135 N PHE A 9 3.824 23.173 15.152 1.00 12.71 N ATOM 136 CA PHE A 9 3.348 24.571 15.260 1.00 13.50 C ATOM 137 C PHE A 9 3.870 25.520 14.193 1.00 14.21 C ATOM 138 O PHE A 9 3.604 26.703 14.218 1.00 15.17 O ATOM 139 CB PHE A 9 3.652 25.184 16.682 1.00 13.26 C ATOM 140 CG PHE A 9 2.744 24.677 17.784 1.00 13.67 C ATOM 141 CD1 PHE A 9 2.319 23.337 17.815 1.00 13.27 C ATOM 142 CD2 PHE A 9 2.364 25.529 18.826 1.00 14.50 C ATOM 143 CE1 PHE A 9 1.538 22.863 18.880 1.00 13.80 C ATOM 144 CE2 PHE A 9 1.591 25.074 19.892 1.00 14.87 C ATOM 145 CZ PHE A 9 1.171 23.734 19.921 1.00 13.96 C ATOM 146 HA PHE A 9 2.273 24.485 15.102 1.00 0.00 H ATOM 147 HB2 PHE A 9 4.681 24.940 16.947 1.00 0.00 H ATOM 148 HB3 PHE A 9 3.542 26.267 16.619 1.00 0.00 H ATOM 149 HD2 PHE A 9 2.680 26.572 18.804 1.00 0.00 H ATOM 150 HE2 PHE A 9 1.314 25.753 20.698 1.00 0.00 H ATOM 151 HZ PHE A 9 0.562 23.370 20.749 1.00 0.00 H ATOM 152 HE1 PHE A 9 1.216 21.822 18.900 1.00 0.00 H ATOM 153 HD1 PHE A 9 2.598 22.662 17.006 1.00 0.00 H ATOM 154 H PHE A 9 4.724 22.910 15.602 1.00 0.00 H ATOM 155 N GLY A 10 4.701 24.985 13.323 1.00 14.83 N ATOM 156 CA GLY A 10 5.234 25.765 12.246 1.00 16.30 C ATOM 157 C GLY A 10 6.109 26.943 12.607 1.00 17.12 C ATOM 158 O GLY A 10 7.032 26.848 13.384 1.00 15.43 O ATOM 159 HA3 GLY A 10 4.391 26.148 11.671 1.00 0.00 H ATOM 160 HA2 GLY A 10 5.826 25.097 11.620 1.00 0.00 H ATOM 161 H GLY A 10 4.973 23.986 13.419 1.00 0.00 H ATOM 162 N LYS A 11 5.770 28.070 12.010 1.00 18.24 N ATOM 163 CA LYS A 11 6.511 29.308 12.156 1.00 20.55 C ATOM 164 C LYS A 11 6.140 30.166 13.360 1.00 20.00 C ATOM 165 O LYS A 11 5.503 31.239 13.221 1.00 22.07 O ATOM 166 CB LYS A 11 6.398 30.124 10.818 1.00 22.61 C ATOM 167 CG LYS A 11 7.265 31.357 10.756 1.00 27.90 C ATOM 168 CD LYS A 11 7.070 32.103 9.402 1.00 29.92 C ATOM 169 CE LYS A 11 8.103 33.274 9.248 1.00 31.61 C ATOM 170 NZ LYS A 11 9.504 32.768 9.490 1.00 32.52 N ATOM 171 HA LYS A 11 7.543 29.023 12.359 1.00 0.00 H ATOM 172 HB2 LYS A 11 6.681 29.468 9.995 1.00 0.00 H ATOM 173 HB3 LYS A 11 5.360 30.432 10.695 1.00 0.00 H ATOM 174 HG2 LYS A 11 6.996 32.025 11.574 1.00 0.00 H ATOM 175 HG3 LYS A 11 8.310 31.065 10.856 1.00 0.00 H ATOM 176 HD2 LYS A 11 7.207 31.397 8.583 1.00 0.00 H ATOM 177 HD3 LYS A 11 6.060 32.511 9.362 1.00 0.00 H ATOM 178 HE2 LYS A 11 7.872 34.056 9.972 1.00 0.00 H ATOM 179 HE3 LYS A 11 8.037 33.683 8.240 1.00 0.00 H ATOM 180 HZ1 LYS A 11 9.570 32.380 10.453 1.00 0.00 H ATOM 181 HZ2 LYS A 11 9.727 32.024 8.799 1.00 0.00 H ATOM 182 HZ3 LYS A 11 10.178 33.553 9.385 1.00 0.00 H ATOM 183 H LYS A 11 4.926 28.070 11.402 1.00 0.00 H ATOM 184 N ILE A 12 6.436 29.652 14.549 1.00 18.88 N ATOM 185 CA ILE A 12 6.228 30.423 15.768 1.00 17.52 C ATOM 186 C ILE A 12 7.633 30.669 16.330 1.00 16.35 C ATOM 187 O ILE A 12 8.572 29.895 16.048 1.00 15.93 O ATOM 188 CB ILE A 12 5.330 29.737 16.819 1.00 17.99 C ATOM 189 CG1 ILE A 12 5.944 28.438 17.308 1.00 17.30 C ATOM 190 CG2 ILE A 12 3.931 29.550 16.256 1.00 18.61 C ATOM 191 CD1 ILE A 12 5.335 27.992 18.616 1.00 18.67 C ATOM 192 HA ILE A 12 5.690 31.340 15.530 1.00 0.00 H ATOM 193 HB ILE A 12 5.251 30.380 17.696 1.00 0.00 H ATOM 194 HG12 ILE A 12 5.778 27.664 16.558 1.00 0.00 H ATOM 195 HG13 ILE A 12 7.015 28.583 17.448 1.00 0.00 H ATOM 196 HD11 ILE A 12 5.502 28.758 19.373 1.00 0.00 H ATOM 197 HD12 ILE A 12 4.264 27.838 18.483 1.00 0.00 H ATOM 198 HD13 ILE A 12 5.801 27.059 18.933 1.00 0.00 H ATOM 199 HG21 ILE A 12 3.510 30.523 16.001 1.00 0.00 H ATOM 200 HG22 ILE A 12 3.981 28.928 15.362 1.00 0.00 H ATOM 201 HG23 ILE A 12 3.302 29.065 17.003 1.00 0.00 H ATOM 202 H ILE A 12 6.821 28.688 14.610 1.00 0.00 H ATOM 203 N THR A 13 7.788 31.771 17.060 1.00 15.29 N ATOM 204 CA THR A 13 9.083 32.137 17.623 1.00 13.96 C ATOM 205 C THR A 13 9.444 31.289 18.849 1.00 13.33 C ATOM 206 O THR A 13 8.634 30.583 19.423 1.00 12.31 O ATOM 207 CB THR A 13 9.109 33.622 18.069 1.00 12.92 C ATOM 208 OG1 THR A 13 8.155 33.813 19.113 1.00 13.16 O ATOM 209 CG2 THR A 13 8.766 34.553 16.922 1.00 14.49 C ATOM 210 HA THR A 13 9.806 31.962 16.826 1.00 0.00 H ATOM 211 HB THR A 13 10.117 33.854 18.414 1.00 0.00 H ATOM 212 HG1 THR A 13 7.252 33.581 18.780 1.00 0.00 H ATOM 213 HG23 THR A 13 9.488 34.417 16.117 1.00 0.00 H ATOM 214 HG21 THR A 13 7.765 34.324 16.557 1.00 0.00 H ATOM 215 HG22 THR A 13 8.799 35.585 17.271 1.00 0.00 H ATOM 216 H THR A 13 6.967 32.385 17.233 1.00 0.00 H ATOM 217 N ARG A 14 10.716 31.388 19.220 1.00 13.65 N ATOM 218 CA ARG A 14 11.253 30.741 20.406 1.00 14.00 C ATOM 219 C ARG A 14 10.561 31.351 21.655 1.00 14.14 C ATOM 220 O ARG A 14 10.142 30.589 22.517 1.00 13.09 O ATOM 221 CB ARG A 14 12.700 30.993 20.427 1.00 15.61 C ATOM 222 CG ARG A 14 13.357 30.667 21.628 1.00 19.19 C ATOM 223 CD ARG A 14 14.701 31.239 21.548 1.00 23.15 C ATOM 224 NE ARG A 14 15.495 30.722 22.621 1.00 27.66 N ATOM 225 CZ ARG A 14 16.246 29.633 22.527 1.00 30.21 C ATOM 226 NH1 ARG A 14 16.904 29.233 23.597 1.00 33.83 N ATOM 227 NH2 ARG A 14 16.417 28.994 21.369 1.00 30.33 N ATOM 228 HA ARG A 14 11.072 29.666 20.403 1.00 0.00 H ATOM 229 HB2 ARG A 14 13.154 30.409 19.627 1.00 0.00 H ATOM 230 HB3 ARG A 14 12.859 32.054 20.235 1.00 0.00 H ATOM 231 HG2 ARG A 14 12.819 31.090 22.476 1.00 0.00 H ATOM 232 HG3 ARG A 14 13.416 29.584 21.741 1.00 0.00 H ATOM 233 HD2 ARG A 14 14.641 32.324 21.628 1.00 0.00 H ATOM 234 HD3 ARG A 14 15.156 30.971 20.595 1.00 0.00 H ATOM 235 HE ARG A 14 15.482 31.231 23.528 1.00 0.00 H ATOM 236 HH12 ARG A 14 17.501 28.382 23.553 1.00 0.00 H ATOM 237 HH11 ARG A 14 16.826 29.768 24.485 1.00 0.00 H ATOM 238 HH22 ARG A 14 17.012 28.142 21.328 1.00 0.00 H ATOM 239 HH21 ARG A 14 15.955 29.347 20.507 1.00 0.00 H ATOM 240 H ARG A 14 11.359 31.956 18.633 1.00 0.00 H ATOM 241 N ARG A 15 10.405 32.683 21.721 1.00 13.43 N ATOM 242 CA ARG A 15 9.728 33.320 22.868 1.00 12.30 C ATOM 243 C ARG A 15 8.277 32.809 22.984 1.00 12.17 C ATOM 244 O ARG A 15 7.791 32.521 24.056 1.00 11.46 O ATOM 245 CB ARG A 15 9.729 34.868 22.719 1.00 12.17 C ATOM 246 CG ARG A 15 8.991 35.556 23.860 1.00 13.28 C ATOM 247 CD ARG A 15 9.103 37.116 23.838 1.00 15.63 C ATOM 248 NE ARG A 15 8.353 37.744 24.928 1.00 17.95 N ATOM 249 CZ ARG A 15 8.821 37.966 26.164 1.00 19.75 C ATOM 250 NH1 ARG A 15 10.063 37.610 26.507 1.00 19.74 N ATOM 251 NH2 ARG A 15 8.044 38.560 27.069 1.00 21.80 N ATOM 252 HA ARG A 15 10.274 33.056 23.773 1.00 0.00 H ATOM 253 HB2 ARG A 15 10.761 35.219 22.706 1.00 0.00 H ATOM 254 HB3 ARG A 15 9.245 35.131 21.778 1.00 0.00 H ATOM 255 HG2 ARG A 15 7.937 35.286 23.799 1.00 0.00 H ATOM 256 HG3 ARG A 15 9.403 35.195 24.802 1.00 0.00 H ATOM 257 HD2 ARG A 15 8.713 37.482 22.888 1.00 0.00 H ATOM 258 HD3 ARG A 15 10.153 37.393 23.930 1.00 0.00 H ATOM 259 HE ARG A 15 7.377 38.042 24.726 1.00 0.00 H ATOM 260 HH12 ARG A 15 10.408 37.791 27.471 1.00 0.00 H ATOM 261 HH11 ARG A 15 10.684 37.152 25.810 1.00 0.00 H ATOM 262 HH22 ARG A 15 8.404 38.734 28.029 1.00 0.00 H ATOM 263 HH21 ARG A 15 7.078 38.850 26.815 1.00 0.00 H ATOM 264 H ARG A 15 10.768 33.278 20.949 1.00 0.00 H ATOM 265 N GLU A 16 7.591 32.703 21.856 1.00 12.21 N ATOM 266 CA GLU A 16 6.219 32.206 21.826 1.00 13.06 C ATOM 267 C GLU A 16 6.153 30.740 22.286 1.00 12.37 C ATOM 268 O GLU A 16 5.270 30.409 23.074 1.00 12.39 O ATOM 269 CB GLU A 16 5.606 32.350 20.393 1.00 15.36 C ATOM 270 CG GLU A 16 4.200 31.729 20.212 1.00 16.86 C ATOM 271 CD GLU A 16 3.142 32.387 21.082 1.00 19.62 C ATOM 272 OE1 GLU A 16 1.999 31.906 21.053 1.00 21.94 O ATOM 273 OE2 GLU A 16 3.423 33.366 21.809 1.00 19.96 O ATOM 274 HA GLU A 16 5.632 32.810 22.518 1.00 0.00 H ATOM 275 HB2 GLU A 16 5.538 33.413 20.160 1.00 0.00 H ATOM 276 HB3 GLU A 16 6.282 31.867 19.687 1.00 0.00 H ATOM 277 HG2 GLU A 16 3.906 31.834 19.168 1.00 0.00 H ATOM 278 HG3 GLU A 16 4.252 30.671 20.469 1.00 0.00 H ATOM 279 H GLU A 16 8.045 32.983 20.963 1.00 0.00 H ATOM 280 N SER A 17 7.069 29.893 21.810 1.00 11.67 N ATOM 281 CA SER A 17 7.083 28.498 22.269 1.00 11.25 C ATOM 282 C SER A 17 7.240 28.457 23.798 1.00 11.27 C ATOM 283 O SER A 17 6.590 27.671 24.470 1.00 10.06 O ATOM 284 CB SER A 17 8.190 27.698 21.573 1.00 11.43 C ATOM 285 OG SER A 17 9.483 28.080 22.012 1.00 12.41 O ATOM 286 HA SER A 17 6.135 28.031 22.004 1.00 0.00 H ATOM 287 HB2 SER A 17 8.121 27.864 20.498 1.00 0.00 H ATOM 288 HB3 SER A 17 8.045 26.639 21.786 1.00 0.00 H ATOM 289 HG SER A 17 9.627 29.040 21.816 1.00 0.00 H ATOM 290 H SER A 17 7.771 30.220 21.116 1.00 0.00 H ATOM 291 N GLU A 18 8.070 29.352 24.344 1.00 10.70 N ATOM 292 CA GLU A 18 8.284 29.421 25.789 1.00 11.28 C ATOM 293 C GLU A 18 7.038 29.880 26.557 1.00 11.80 C ATOM 294 O GLU A 18 6.703 29.319 27.570 1.00 12.53 O ATOM 295 CB GLU A 18 9.505 30.298 26.088 1.00 11.99 C ATOM 296 CG GLU A 18 10.784 29.613 25.563 1.00 13.01 C ATOM 297 CD GLU A 18 12.039 30.431 25.724 1.00 16.18 C ATOM 298 OE1 GLU A 18 13.135 29.858 25.574 1.00 15.74 O ATOM 299 OE2 GLU A 18 11.948 31.644 25.998 1.00 18.54 O ATOM 300 HA GLU A 18 8.483 28.411 26.147 1.00 0.00 H ATOM 301 HB2 GLU A 18 9.385 31.264 25.598 1.00 0.00 H ATOM 302 HB3 GLU A 18 9.590 30.446 27.165 1.00 0.00 H ATOM 303 HG2 GLU A 18 10.916 28.676 26.104 1.00 0.00 H ATOM 304 HG3 GLU A 18 10.648 29.403 24.502 1.00 0.00 H ATOM 305 H GLU A 18 8.577 30.016 23.725 1.00 0.00 H ATOM 306 N ARG A 19 6.329 30.862 26.016 1.00 12.28 N ATOM 307 CA ARG A 19 5.106 31.369 26.624 1.00 13.08 C ATOM 308 C ARG A 19 4.069 30.233 26.733 1.00 13.13 C ATOM 309 O ARG A 19 3.488 30.003 27.784 1.00 14.35 O ATOM 310 CB ARG A 19 4.540 32.558 25.764 1.00 13.37 C ATOM 311 CG ARG A 19 3.366 33.296 26.432 1.00 16.05 C ATOM 312 CD ARG A 19 2.648 34.316 25.474 1.00 16.14 C ATOM 313 NE ARG A 19 1.925 33.697 24.359 1.00 19.56 N ATOM 314 CZ ARG A 19 0.775 33.029 24.469 1.00 19.95 C ATOM 315 NH1 ARG A 19 0.184 32.877 25.647 1.00 22.70 N ATOM 316 NH2 ARG A 19 0.221 32.493 23.390 1.00 20.48 N ATOM 317 HA ARG A 19 5.322 31.738 27.627 1.00 0.00 H ATOM 318 HB2 ARG A 19 5.344 33.273 25.592 1.00 0.00 H ATOM 319 HB3 ARG A 19 4.199 32.161 24.808 1.00 0.00 H ATOM 320 HG2 ARG A 19 2.635 32.558 26.762 1.00 0.00 H ATOM 321 HG3 ARG A 19 3.746 33.841 27.296 1.00 0.00 H ATOM 322 HD2 ARG A 19 3.403 34.985 25.061 1.00 0.00 H ATOM 323 HD3 ARG A 19 1.936 34.894 26.063 1.00 0.00 H ATOM 324 HE ARG A 19 2.340 33.785 23.410 1.00 0.00 H ATOM 325 HH12 ARG A 19 -0.712 32.354 25.716 1.00 0.00 H ATOM 326 HH11 ARG A 19 0.617 33.281 26.502 1.00 0.00 H ATOM 327 HH22 ARG A 19 -0.675 31.971 23.470 1.00 0.00 H ATOM 328 HH21 ARG A 19 0.683 32.594 22.464 1.00 0.00 H ATOM 329 H ARG A 19 6.658 31.286 25.125 1.00 0.00 H ATOM 330 N LEU A 20 3.912 29.465 25.663 1.00 13.45 N ATOM 331 CA LEU A 20 2.962 28.359 25.654 1.00 13.40 C ATOM 332 C LEU A 20 3.376 27.228 26.589 1.00 13.01 C ATOM 333 O LEU A 20 2.550 26.640 27.272 1.00 13.16 O ATOM 334 CB LEU A 20 2.814 27.802 24.250 1.00 14.43 C ATOM 335 CG LEU A 20 2.314 28.774 23.143 1.00 15.50 C ATOM 336 CD1 LEU A 20 2.364 28.096 21.780 1.00 17.44 C ATOM 337 CD2 LEU A 20 0.925 29.293 23.490 1.00 17.74 C ATOM 338 HA LEU A 20 2.012 28.762 26.006 1.00 0.00 H ATOM 339 HB2 LEU A 20 3.791 27.429 23.941 1.00 0.00 H ATOM 340 HB3 LEU A 20 2.109 26.972 24.300 1.00 0.00 H ATOM 341 HG LEU A 20 2.976 29.639 23.090 1.00 0.00 H ATOM 342 HD21 LEU A 20 0.234 28.454 23.568 1.00 0.00 H ATOM 343 HD22 LEU A 20 0.964 29.823 24.441 1.00 0.00 H ATOM 344 HD23 LEU A 20 0.586 29.972 22.708 1.00 0.00 H ATOM 345 HD11 LEU A 20 3.390 27.803 21.559 1.00 0.00 H ATOM 346 HD12 LEU A 20 1.727 27.212 21.792 1.00 0.00 H ATOM 347 HD13 LEU A 20 2.011 28.790 21.017 1.00 0.00 H ATOM 348 H LEU A 20 4.479 29.656 24.812 1.00 0.00 H ATOM 349 N LEU A 21 4.668 26.921 26.637 1.00 11.93 N ATOM 350 CA LEU A 21 5.135 25.831 27.488 1.00 12.67 C ATOM 351 C LEU A 21 5.217 26.123 28.984 1.00 13.05 C ATOM 352 O LEU A 21 5.093 25.212 29.789 1.00 14.24 O ATOM 353 CB LEU A 21 6.512 25.243 26.938 1.00 10.76 C ATOM 354 CG LEU A 21 6.365 24.475 25.549 1.00 9.95 C ATOM 355 CD1 LEU A 21 7.698 24.393 24.796 1.00 10.38 C ATOM 356 CD2 LEU A 21 5.752 23.062 25.736 1.00 8.96 C ATOM 357 HA LEU A 21 4.348 25.080 27.419 1.00 0.00 H ATOM 358 HB2 LEU A 21 7.211 26.068 26.804 1.00 0.00 H ATOM 359 HB3 LEU A 21 6.910 24.548 27.677 1.00 0.00 H ATOM 360 HG LEU A 21 5.676 25.061 24.940 1.00 0.00 H ATOM 361 HD21 LEU A 21 6.395 22.472 26.388 1.00 0.00 H ATOM 362 HD22 LEU A 21 4.763 23.153 26.185 1.00 0.00 H ATOM 363 HD23 LEU A 21 5.669 22.572 24.766 1.00 0.00 H ATOM 364 HD11 LEU A 21 8.061 25.400 24.593 1.00 0.00 H ATOM 365 HD12 LEU A 21 8.426 23.859 25.406 1.00 0.00 H ATOM 366 HD13 LEU A 21 7.551 23.862 23.856 1.00 0.00 H ATOM 367 H LEU A 21 5.350 27.460 26.066 1.00 0.00 H ATOM 368 N LEU A 22 5.463 27.374 29.343 1.00 14.56 N ATOM 369 CA LEU A 22 5.577 27.794 30.736 1.00 15.76 C ATOM 370 C LEU A 22 4.207 28.039 31.354 1.00 17.33 C ATOM 371 O LEU A 22 3.822 29.155 31.664 1.00 19.02 O ATOM 372 CB LEU A 22 6.432 29.054 30.834 1.00 15.47 C ATOM 373 CG LEU A 22 7.890 28.858 30.520 1.00 16.30 C ATOM 374 CD1 LEU A 22 8.563 30.223 30.422 1.00 16.33 C ATOM 375 CD2 LEU A 22 8.546 27.988 31.602 1.00 16.75 C ATOM 376 HA LEU A 22 6.057 26.990 31.293 1.00 0.00 H ATOM 377 HB2 LEU A 22 6.031 29.790 30.137 1.00 0.00 H ATOM 378 HB3 LEU A 22 6.353 29.438 31.851 1.00 0.00 H ATOM 379 HG LEU A 22 8.003 28.343 29.566 1.00 0.00 H ATOM 380 HD21 LEU A 22 8.449 28.480 32.570 1.00 0.00 H ATOM 381 HD22 LEU A 22 8.051 27.017 31.635 1.00 0.00 H ATOM 382 HD23 LEU A 22 9.601 27.852 31.366 1.00 0.00 H ATOM 383 HD11 LEU A 22 8.090 30.804 29.630 1.00 0.00 H ATOM 384 HD12 LEU A 22 8.458 30.748 31.372 1.00 0.00 H ATOM 385 HD13 LEU A 22 9.621 30.090 30.195 1.00 0.00 H ATOM 386 H LEU A 22 5.580 28.090 28.598 1.00 0.00 H ATOM 387 N ASN A 23 3.450 26.961 31.448 1.00 19.39 N ATOM 388 CA ASN A 23 2.104 26.955 32.008 1.00 20.21 C ATOM 389 C ASN A 23 2.139 25.859 33.076 1.00 19.83 C ATOM 390 O ASN A 23 2.496 24.689 32.822 1.00 18.38 O ATOM 391 CB ASN A 23 1.107 26.655 30.917 1.00 22.19 C ATOM 392 CG ASN A 23 -0.289 26.395 31.446 1.00 25.07 C ATOM 393 OD1 ASN A 23 -0.493 26.109 32.609 1.00 24.29 O ATOM 394 ND2 ASN A 23 -1.255 26.469 30.559 1.00 27.25 N ATOM 395 HA ASN A 23 1.805 27.911 32.438 1.00 0.00 H ATOM 396 HB2 ASN A 23 1.068 27.506 30.238 1.00 0.00 H ATOM 397 HB3 ASN A 23 1.442 25.772 30.373 1.00 0.00 H ATOM 398 HD22 ASN A 23 -1.037 26.717 29.573 1.00 0.00 H ATOM 399 HD21 ASN A 23 -2.237 26.279 30.843 1.00 0.00 H ATOM 400 H ASN A 23 3.838 26.061 31.101 1.00 0.00 H ATOM 401 N ALA A 24 1.842 26.283 34.304 1.00 19.43 N ATOM 402 CA ALA A 24 1.845 25.446 35.497 1.00 19.54 C ATOM 403 C ALA A 24 1.139 24.101 35.355 1.00 18.94 C ATOM 404 O ALA A 24 1.440 23.170 36.103 1.00 18.38 O ATOM 405 CB ALA A 24 1.243 26.223 36.667 1.00 20.40 C ATOM 406 HA ALA A 24 2.892 25.201 35.675 1.00 0.00 H ATOM 407 HB1 ALA A 24 1.836 27.119 36.850 1.00 0.00 H ATOM 408 HB2 ALA A 24 0.219 26.507 36.424 1.00 0.00 H ATOM 409 HB3 ALA A 24 1.246 25.595 37.558 1.00 0.00 H ATOM 410 H ALA A 24 1.589 27.285 34.419 1.00 0.00 H ATOM 411 N GLU A 25 0.184 24.028 34.426 1.00 19.19 N ATOM 412 CA GLU A 25 -0.560 22.795 34.166 1.00 18.47 C ATOM 413 C GLU A 25 0.145 21.810 33.271 1.00 16.86 C ATOM 414 O GLU A 25 -0.323 20.685 33.144 1.00 15.75 O ATOM 415 CB GLU A 25 -1.875 23.095 33.601 1.00 21.10 C ATOM 416 CG GLU A 25 -2.815 23.509 34.689 1.00 25.86 C ATOM 417 CD GLU A 25 -4.159 23.963 34.181 1.00 28.11 C ATOM 418 OE1 GLU A 25 -4.648 24.996 34.702 1.00 29.70 O ATOM 419 OE2 GLU A 25 -4.721 23.300 33.280 1.00 29.11 O ATOM 420 HA GLU A 25 -0.654 22.317 35.141 1.00 0.00 H ATOM 421 HB2 GLU A 25 -1.781 23.904 32.877 1.00 0.00 H ATOM 422 HB3 GLU A 25 -2.266 22.207 33.104 1.00 0.00 H ATOM 423 HG2 GLU A 25 -2.967 22.660 35.356 1.00 0.00 H ATOM 424 HG3 GLU A 25 -2.361 24.329 35.244 1.00 0.00 H ATOM 425 H GLU A 25 -0.039 24.876 33.868 1.00 0.00 H ATOM 426 N ASN A 26 1.244 22.228 32.647 1.00 14.82 N ATOM 427 CA ASN A 26 1.979 21.342 31.744 1.00 13.21 C ATOM 428 C ASN A 26 2.901 20.358 32.475 1.00 11.80 C ATOM 429 O ASN A 26 3.800 20.768 33.204 1.00 11.77 O ATOM 430 CB ASN A 26 2.877 22.181 30.721 1.00 12.36 C ATOM 431 CG ASN A 26 2.068 22.942 29.697 1.00 13.32 C ATOM 432 OD1 ASN A 26 0.943 22.570 29.377 1.00 13.57 O ATOM 433 ND2 ASN A 26 2.658 23.998 29.148 1.00 13.09 N ATOM 434 HA ASN A 26 1.212 20.774 31.217 1.00 0.00 H ATOM 435 HB2 ASN A 26 3.474 22.894 31.289 1.00 0.00 H ATOM 436 HB3 ASN A 26 3.539 21.492 30.196 1.00 0.00 H ATOM 437 HD22 ASN A 26 3.613 24.276 29.451 1.00 0.00 H ATOM 438 HD21 ASN A 26 2.165 24.547 28.415 1.00 0.00 H ATOM 439 H ASN A 26 1.585 23.198 32.804 1.00 0.00 H ATOM 440 N PRO A 27 2.655 19.058 32.321 1.00 10.45 N ATOM 441 CA PRO A 27 3.538 18.089 32.988 1.00 10.55 C ATOM 442 C PRO A 27 4.858 18.029 32.211 1.00 9.01 C ATOM 443 O PRO A 27 4.930 18.560 31.085 1.00 8.69 O ATOM 444 CB PRO A 27 2.761 16.755 32.886 1.00 11.00 C ATOM 445 CG PRO A 27 1.856 16.935 31.741 1.00 14.39 C ATOM 446 CD PRO A 27 1.467 18.411 31.729 1.00 11.60 C ATOM 447 HA PRO A 27 3.781 18.333 34.022 1.00 0.00 H ATOM 448 HD3 PRO A 27 1.291 18.764 30.713 1.00 0.00 H ATOM 449 HD2 PRO A 27 0.578 18.590 32.334 1.00 0.00 H ATOM 450 HG3 PRO A 27 0.969 16.312 31.859 1.00 0.00 H ATOM 451 HG2 PRO A 27 2.364 16.671 30.813 1.00 0.00 H ATOM 452 HB2 PRO A 27 3.444 15.925 32.709 1.00 0.00 H ATOM 453 HB3 PRO A 27 2.194 16.569 33.798 1.00 0.00 H ATOM 454 N ARG A 28 5.872 17.363 32.764 1.00 9.14 N ATOM 455 CA ARG A 28 7.157 17.251 32.090 1.00 10.28 C ATOM 456 C ARG A 28 6.979 16.563 30.734 1.00 9.80 C ATOM 457 O ARG A 28 6.176 15.639 30.644 1.00 10.33 O ATOM 458 CB ARG A 28 8.125 16.442 32.925 1.00 11.77 C ATOM 459 CG ARG A 28 8.451 17.090 34.258 1.00 14.86 C ATOM 460 CD ARG A 28 9.308 16.190 35.080 1.00 17.82 C ATOM 461 NE ARG A 28 10.665 16.189 34.534 1.00 22.86 N ATOM 462 CZ ARG A 28 11.615 15.300 34.840 1.00 25.49 C ATOM 463 NH1 ARG A 28 11.347 14.294 35.694 1.00 24.92 N ATOM 464 NH2 ARG A 28 12.853 15.475 34.374 1.00 23.90 N ATOM 465 HA ARG A 28 7.555 18.256 31.947 1.00 0.00 H ATOM 466 HB2 ARG A 28 7.685 15.463 33.114 1.00 0.00 H ATOM 467 HB3 ARG A 28 9.051 16.321 32.363 1.00 0.00 H ATOM 468 HG2 ARG A 28 8.980 18.027 34.082 1.00 0.00 H ATOM 469 HG3 ARG A 28 7.524 17.292 34.795 1.00 0.00 H ATOM 470 HD2 ARG A 28 8.904 15.178 35.055 1.00 0.00 H ATOM 471 HD3 ARG A 28 9.329 16.546 36.110 1.00 0.00 H ATOM 472 HE ARG A 28 10.910 16.938 33.855 1.00 0.00 H ATOM 473 HH12 ARG A 28 12.087 13.603 35.932 1.00 0.00 H ATOM 474 HH11 ARG A 28 10.400 14.208 36.116 1.00 0.00 H ATOM 475 HH22 ARG A 28 13.598 14.788 34.607 1.00 0.00 H ATOM 476 HH21 ARG A 28 13.073 16.298 33.778 1.00 0.00 H ATOM 477 H ARG A 28 5.742 16.915 33.694 1.00 0.00 H ATOM 478 N GLY A 29 7.704 16.994 29.698 1.00 8.72 N ATOM 479 CA GLY A 29 7.546 16.347 28.408 1.00 9.00 C ATOM 480 C GLY A 29 6.502 16.954 27.493 1.00 8.62 C ATOM 481 O GLY A 29 6.334 16.483 26.397 1.00 8.98 O ATOM 482 HA3 GLY A 29 7.272 15.307 28.586 1.00 0.00 H ATOM 483 HA2 GLY A 29 8.506 16.386 27.894 1.00 0.00 H ATOM 484 H GLY A 29 8.372 17.782 29.814 1.00 0.00 H ATOM 485 N THR A 30 5.781 17.976 27.961 1.00 8.24 N ATOM 486 CA THR A 30 4.820 18.659 27.114 1.00 8.14 C ATOM 487 C THR A 30 5.683 19.277 25.996 1.00 8.54 C ATOM 488 O THR A 30 6.715 19.870 26.281 1.00 7.46 O ATOM 489 CB THR A 30 4.037 19.736 27.877 1.00 8.32 C ATOM 490 OG1 THR A 30 3.266 19.120 28.930 1.00 9.45 O ATOM 491 CG2 THR A 30 3.092 20.477 26.911 1.00 9.19 C ATOM 492 HA THR A 30 4.057 17.981 26.733 1.00 0.00 H ATOM 493 HB THR A 30 4.738 20.449 28.311 1.00 0.00 H ATOM 494 HG1 THR A 30 3.876 18.652 29.554 1.00 0.00 H ATOM 495 HG23 THR A 30 3.677 20.941 26.117 1.00 0.00 H ATOM 496 HG21 THR A 30 2.388 19.767 26.478 1.00 0.00 H ATOM 497 HG22 THR A 30 2.545 21.245 27.458 1.00 0.00 H ATOM 498 H THR A 30 5.910 18.287 28.945 1.00 0.00 H ATOM 499 N PHE A 31 5.248 19.170 24.743 1.00 8.14 N ATOM 500 CA PHE A 31 6.095 19.626 23.659 1.00 7.01 C ATOM 501 C PHE A 31 5.386 20.136 22.425 1.00 8.94 C ATOM 502 O PHE A 31 4.148 20.039 22.237 1.00 7.89 O ATOM 503 CB PHE A 31 6.972 18.440 23.238 1.00 8.03 C ATOM 504 CG PHE A 31 6.213 17.373 22.445 1.00 7.24 C ATOM 505 CD1 PHE A 31 6.308 17.334 21.042 1.00 8.26 C ATOM 506 CD2 PHE A 31 5.342 16.487 23.080 1.00 8.41 C ATOM 507 CE1 PHE A 31 5.546 16.447 20.289 1.00 8.07 C ATOM 508 CE2 PHE A 31 4.566 15.583 22.334 1.00 7.18 C ATOM 509 CZ PHE A 31 4.661 15.560 20.942 1.00 7.74 C ATOM 510 HA PHE A 31 6.645 20.482 24.050 1.00 0.00 H ATOM 511 HB2 PHE A 31 7.787 18.815 22.620 1.00 0.00 H ATOM 512 HB3 PHE A 31 7.382 17.977 24.136 1.00 0.00 H ATOM 513 HD2 PHE A 31 5.262 16.496 24.167 1.00 0.00 H ATOM 514 HE2 PHE A 31 3.888 14.898 22.844 1.00 0.00 H ATOM 515 HZ PHE A 31 4.057 14.862 20.362 1.00 0.00 H ATOM 516 HE1 PHE A 31 5.631 16.436 19.202 1.00 0.00 H ATOM 517 HD1 PHE A 31 6.993 18.013 20.534 1.00 0.00 H ATOM 518 H PHE A 31 4.311 18.764 24.544 1.00 0.00 H ATOM 519 N LEU A 32 6.221 20.648 21.522 1.00 8.25 N ATOM 520 CA LEU A 32 5.786 21.137 20.220 1.00 9.26 C ATOM 521 C LEU A 32 7.012 21.162 19.292 1.00 9.46 C ATOM 522 O LEU A 32 8.161 21.148 19.774 1.00 8.96 O ATOM 523 CB LEU A 32 5.155 22.540 20.353 1.00 8.64 C ATOM 524 CG LEU A 32 6.110 23.731 20.858 1.00 9.80 C ATOM 525 CD1 LEU A 32 6.835 24.347 19.646 1.00 9.51 C ATOM 526 CD2 LEU A 32 5.337 24.840 21.611 1.00 11.43 C ATOM 527 HA LEU A 32 5.022 20.482 19.802 1.00 0.00 H ATOM 528 HB2 LEU A 32 4.770 22.821 19.373 1.00 0.00 H ATOM 529 HB3 LEU A 32 4.327 22.462 21.058 1.00 0.00 H ATOM 530 HG LEU A 32 6.823 23.301 21.561 1.00 0.00 H ATOM 531 HD21 LEU A 32 4.587 25.272 20.949 1.00 0.00 H ATOM 532 HD22 LEU A 32 4.848 24.411 22.485 1.00 0.00 H ATOM 533 HD23 LEU A 32 6.034 25.616 21.927 1.00 0.00 H ATOM 534 HD11 LEU A 32 7.434 23.580 19.154 1.00 0.00 H ATOM 535 HD12 LEU A 32 6.099 24.740 18.945 1.00 0.00 H ATOM 536 HD13 LEU A 32 7.484 25.155 19.984 1.00 0.00 H ATOM 537 H LEU A 32 7.233 20.701 21.758 1.00 0.00 H ATOM 538 N VAL A 33 6.777 21.112 17.983 1.00 9.17 N ATOM 539 CA VAL A 33 7.860 21.187 17.003 1.00 9.27 C ATOM 540 C VAL A 33 7.564 22.442 16.202 1.00 10.16 C ATOM 541 O VAL A 33 6.417 22.748 15.874 1.00 10.19 O ATOM 542 CB VAL A 33 7.900 19.946 16.084 1.00 8.57 C ATOM 543 CG1 VAL A 33 8.905 20.137 14.959 1.00 9.78 C ATOM 544 CG2 VAL A 33 8.244 18.712 16.909 1.00 8.85 C ATOM 545 HA VAL A 33 8.836 21.217 17.488 1.00 0.00 H ATOM 546 HB VAL A 33 6.918 19.810 15.632 1.00 0.00 H ATOM 547 HG11 VAL A 33 8.622 21.006 14.364 1.00 0.00 H ATOM 548 HG12 VAL A 33 9.897 20.293 15.382 1.00 0.00 H ATOM 549 HG13 VAL A 33 8.914 19.249 14.327 1.00 0.00 H ATOM 550 HG21 VAL A 33 9.219 18.849 17.377 1.00 0.00 H ATOM 551 HG22 VAL A 33 7.487 18.569 17.680 1.00 0.00 H ATOM 552 HG23 VAL A 33 8.272 17.838 16.259 1.00 0.00 H ATOM 553 H VAL A 33 5.797 21.017 17.648 1.00 0.00 H ATOM 554 N ARG A 34 8.589 23.236 15.976 1.00 9.34 N ATOM 555 CA ARG A 34 8.432 24.463 15.197 1.00 10.77 C ATOM 556 C ARG A 34 9.639 24.642 14.253 1.00 11.82 C ATOM 557 O ARG A 34 10.625 23.906 14.301 1.00 10.76 O ATOM 558 CB ARG A 34 8.359 25.637 16.133 1.00 10.02 C ATOM 559 CG ARG A 34 9.601 25.751 17.068 1.00 11.34 C ATOM 560 CD ARG A 34 9.612 27.029 17.974 1.00 11.60 C ATOM 561 NE ARG A 34 10.753 26.993 18.899 1.00 12.91 N ATOM 562 CZ ARG A 34 11.938 27.569 18.662 1.00 14.33 C ATOM 563 NH1 ARG A 34 12.913 27.469 19.550 1.00 13.94 N ATOM 564 NH2 ARG A 34 12.139 28.267 17.551 1.00 13.81 N ATOM 565 HA ARG A 34 7.518 24.400 14.606 1.00 0.00 H ATOM 566 HB2 ARG A 34 8.285 26.549 15.541 1.00 0.00 H ATOM 567 HB3 ARG A 34 7.467 25.533 16.751 1.00 0.00 H ATOM 568 HG2 ARG A 34 9.623 24.874 17.715 1.00 0.00 H ATOM 569 HG3 ARG A 34 10.496 25.765 16.446 1.00 0.00 H ATOM 570 HD2 ARG A 34 8.686 27.071 18.547 1.00 0.00 H ATOM 571 HD3 ARG A 34 9.688 27.915 17.344 1.00 0.00 H ATOM 572 HE ARG A 34 10.632 26.486 19.799 1.00 0.00 H ATOM 573 HH12 ARG A 34 13.833 27.917 19.365 1.00 0.00 H ATOM 574 HH11 ARG A 34 12.760 26.942 20.434 1.00 0.00 H ATOM 575 HH22 ARG A 34 13.063 28.711 17.376 1.00 0.00 H ATOM 576 HH21 ARG A 34 11.372 28.370 16.856 1.00 0.00 H ATOM 577 H ARG A 34 9.524 22.987 16.357 1.00 0.00 H ATOM 578 N GLU A 35 9.539 25.597 13.342 1.00 13.79 N ATOM 579 CA GLU A 35 10.676 25.879 12.470 1.00 17.12 C ATOM 580 C GLU A 35 11.696 26.580 13.350 1.00 17.15 C ATOM 581 O GLU A 35 11.380 27.225 14.350 1.00 15.99 O ATOM 582 CB GLU A 35 10.323 26.828 11.376 1.00 20.10 C ATOM 583 CG GLU A 35 9.509 26.251 10.283 1.00 25.49 C ATOM 584 CD GLU A 35 9.154 27.277 9.214 1.00 28.54 C ATOM 585 OE1 GLU A 35 8.537 26.837 8.225 1.00 31.51 O ATOM 586 OE2 GLU A 35 9.476 28.498 9.354 1.00 30.27 O ATOM 587 HA GLU A 35 11.028 24.952 12.017 1.00 0.00 H ATOM 588 HB2 GLU A 35 9.764 27.655 11.813 1.00 0.00 H ATOM 589 HB3 GLU A 35 11.250 27.206 10.944 1.00 0.00 H ATOM 590 HG2 GLU A 35 10.072 25.442 9.818 1.00 0.00 H ATOM 591 HG3 GLU A 35 8.586 25.854 10.706 1.00 0.00 H ATOM 592 H GLU A 35 8.658 26.142 13.248 1.00 0.00 H ATOM 593 N SER A 36 12.951 26.421 12.979 1.00 18.65 N ATOM 594 CA SER A 36 14.032 27.067 13.685 1.00 20.54 C ATOM 595 C SER A 36 14.076 28.559 13.225 1.00 20.80 C ATOM 596 O SER A 36 13.826 28.855 12.088 1.00 20.89 O ATOM 597 CB SER A 36 15.354 26.344 13.294 1.00 21.42 C ATOM 598 OG SER A 36 16.484 27.037 13.784 1.00 24.66 O ATOM 599 HA SER A 36 13.898 27.022 14.766 1.00 0.00 H ATOM 600 HB2 SER A 36 15.418 26.284 12.208 1.00 0.00 H ATOM 601 HB3 SER A 36 15.346 25.338 13.713 1.00 0.00 H ATOM 602 HG SER A 36 16.434 27.091 14.771 1.00 0.00 H ATOM 603 H SER A 36 13.167 25.817 12.160 1.00 0.00 H ATOM 604 N GLU A 37 14.283 29.483 14.152 1.00 22.05 N ATOM 605 CA GLU A 37 14.423 30.915 13.838 1.00 24.24 C ATOM 606 C GLU A 37 15.775 31.191 13.150 1.00 26.97 C ATOM 607 O GLU A 37 15.903 32.116 12.335 1.00 27.36 O ATOM 608 CB GLU A 37 14.442 31.815 15.166 1.00 22.78 C ATOM 609 CG GLU A 37 13.147 31.961 15.975 1.00 21.08 C ATOM 610 CD GLU A 37 13.276 33.030 17.058 1.00 21.49 C ATOM 611 OE1 GLU A 37 14.342 33.678 17.208 1.00 21.94 O ATOM 612 OE2 GLU A 37 12.296 33.261 17.799 1.00 22.13 O ATOM 613 HA GLU A 37 13.574 31.164 13.202 1.00 0.00 H ATOM 614 HB2 GLU A 37 15.191 31.388 15.833 1.00 0.00 H ATOM 615 HB3 GLU A 37 14.751 32.818 14.870 1.00 0.00 H ATOM 616 HG2 GLU A 37 12.337 32.238 15.300 1.00 0.00 H ATOM 617 HG3 GLU A 37 12.915 31.006 16.446 1.00 0.00 H ATOM 618 H GLU A 37 14.350 29.184 15.146 1.00 0.00 H ATOM 619 N THR A 38 16.782 30.415 13.559 1.00 28.82 N ATOM 620 CA THR A 38 18.158 30.574 13.116 1.00 31.61 C ATOM 621 C THR A 38 18.712 29.666 12.012 1.00 33.23 C ATOM 622 O THR A 38 19.574 30.097 11.230 1.00 33.83 O ATOM 623 CB THR A 38 19.092 30.472 14.345 1.00 31.49 C ATOM 624 OG1 THR A 38 18.784 29.275 15.072 1.00 32.99 O ATOM 625 CG2 THR A 38 18.891 31.660 15.288 1.00 32.23 C ATOM 626 HA THR A 38 18.134 31.551 12.634 1.00 0.00 H ATOM 627 HB THR A 38 20.122 30.464 13.988 1.00 0.00 H ATOM 628 HG1 THR A 38 17.841 29.306 15.372 1.00 0.00 H ATOM 629 HG23 THR A 38 19.119 32.585 14.759 1.00 0.00 H ATOM 630 HG21 THR A 38 17.856 31.681 15.629 1.00 0.00 H ATOM 631 HG22 THR A 38 19.555 31.558 16.146 1.00 0.00 H ATOM 632 H THR A 38 16.570 29.653 14.234 1.00 0.00 H ATOM 633 N THR A 39 18.242 28.428 11.926 1.00 34.18 N ATOM 634 CA THR A 39 18.760 27.511 10.914 1.00 34.63 C ATOM 635 C THR A 39 17.753 27.171 9.815 1.00 35.34 C ATOM 636 O THR A 39 16.716 26.558 10.106 1.00 35.35 O ATOM 637 CB THR A 39 19.229 26.211 11.580 1.00 35.13 C ATOM 638 OG1 THR A 39 20.079 26.525 12.698 1.00 34.69 O ATOM 639 CG2 THR A 39 19.964 25.327 10.568 1.00 34.71 C ATOM 640 HA THR A 39 19.590 28.030 10.435 1.00 0.00 H ATOM 641 HB THR A 39 18.362 25.657 11.940 1.00 0.00 H ATOM 642 HG1 THR A 39 20.381 25.686 13.127 1.00 0.00 H ATOM 643 HG23 THR A 39 19.300 25.104 9.733 1.00 0.00 H ATOM 644 HG21 THR A 39 20.846 25.852 10.202 1.00 0.00 H ATOM 645 HG22 THR A 39 20.267 24.398 11.051 1.00 0.00 H ATOM 646 H THR A 39 17.501 28.109 12.582 1.00 0.00 H ATOM 647 N LYS A 40 18.039 27.549 8.565 1.00 35.58 N ATOM 648 CA LYS A 40 17.105 27.231 7.479 1.00 35.77 C ATOM 649 C LYS A 40 17.049 25.715 7.351 1.00 34.33 C ATOM 650 O LYS A 40 18.039 25.046 7.657 1.00 35.14 O ATOM 651 CB LYS A 40 17.533 27.901 6.047 1.00 37.69 C ATOM 652 CG LYS A 40 18.618 27.088 5.133 1.00 40.08 C ATOM 653 CD LYS A 40 20.123 27.196 5.691 1.00 42.36 C ATOM 654 CE LYS A 40 20.574 25.886 6.464 1.00 44.11 C ATOM 655 NZ LYS A 40 21.621 26.107 7.511 1.00 44.50 N ATOM 656 HA LYS A 40 16.130 27.650 7.726 1.00 0.00 H ATOM 657 HB2 LYS A 40 16.625 28.015 5.454 1.00 0.00 H ATOM 658 HB3 LYS A 40 17.954 28.884 6.258 1.00 0.00 H ATOM 659 HG2 LYS A 40 18.332 26.037 5.108 1.00 0.00 H ATOM 660 HG3 LYS A 40 18.593 27.494 4.122 1.00 0.00 H ATOM 661 HD2 LYS A 40 20.798 27.357 4.851 1.00 0.00 H ATOM 662 HD3 LYS A 40 20.184 28.044 6.373 1.00 0.00 H ATOM 663 HE2 LYS A 40 20.968 25.179 5.734 1.00 0.00 H ATOM 664 HE3 LYS A 40 19.696 25.457 6.947 1.00 0.00 H ATOM 665 HZ1 LYS A 40 22.474 26.504 7.068 1.00 0.00 H ATOM 666 HZ2 LYS A 40 21.260 26.770 8.226 1.00 0.00 H ATOM 667 HZ3 LYS A 40 21.854 25.200 7.963 1.00 0.00 H ATOM 668 H LYS A 40 18.919 28.066 8.363 1.00 0.00 H ATOM 669 N GLY A 41 15.875 25.187 7.018 1.00 32.33 N ATOM 670 CA GLY A 41 15.715 23.753 6.841 1.00 30.18 C ATOM 671 C GLY A 41 15.765 22.923 8.105 1.00 28.39 C ATOM 672 O GLY A 41 15.562 21.700 8.048 1.00 29.41 O ATOM 673 HA3 GLY A 41 16.511 23.406 6.182 1.00 0.00 H ATOM 674 HA2 GLY A 41 14.750 23.580 6.365 1.00 0.00 H ATOM 675 H GLY A 41 15.055 25.812 6.881 1.00 0.00 H ATOM 676 N ALA A 42 16.073 23.562 9.232 1.00 25.18 N ATOM 677 CA ALA A 42 16.131 22.866 10.500 1.00 22.02 C ATOM 678 C ALA A 42 14.868 23.196 11.308 1.00 20.43 C ATOM 679 O ALA A 42 14.189 24.212 11.053 1.00 20.25 O ATOM 680 CB ALA A 42 17.366 23.262 11.246 1.00 21.33 C ATOM 681 HA ALA A 42 16.173 21.790 10.333 1.00 0.00 H ATOM 682 HB1 ALA A 42 18.245 23.004 10.655 1.00 0.00 H ATOM 683 HB2 ALA A 42 17.351 24.337 11.427 1.00 0.00 H ATOM 684 HB3 ALA A 42 17.399 22.732 12.198 1.00 0.00 H ATOM 685 H ALA A 42 16.276 24.582 9.201 1.00 0.00 H ATOM 686 N TYR A 43 14.521 22.309 12.238 1.00 17.51 N ATOM 687 CA TYR A 43 13.352 22.484 13.107 1.00 15.38 C ATOM 688 C TYR A 43 13.834 22.574 14.543 1.00 13.78 C ATOM 689 O TYR A 43 15.015 22.418 14.854 1.00 12.80 O ATOM 690 CB TYR A 43 12.398 21.255 13.006 1.00 16.33 C ATOM 691 CG TYR A 43 11.877 20.991 11.617 1.00 18.98 C ATOM 692 CD1 TYR A 43 12.523 20.075 10.773 1.00 20.09 C ATOM 693 CD2 TYR A 43 10.768 21.669 11.142 1.00 19.07 C ATOM 694 CE1 TYR A 43 12.074 19.846 9.486 1.00 22.97 C ATOM 695 CE2 TYR A 43 10.308 21.452 9.864 1.00 23.93 C ATOM 696 CZ TYR A 43 10.964 20.540 9.033 1.00 24.71 C ATOM 697 OH TYR A 43 10.505 20.361 7.741 1.00 28.34 O ATOM 698 HA TYR A 43 12.819 23.384 12.800 1.00 0.00 H ATOM 699 HB3 TYR A 43 11.546 21.428 13.664 1.00 0.00 H ATOM 700 HB2 TYR A 43 12.941 20.372 13.341 1.00 0.00 H ATOM 701 HD2 TYR A 43 10.254 22.382 11.787 1.00 0.00 H ATOM 702 HE2 TYR A 43 9.433 21.991 9.500 1.00 0.00 H ATOM 703 HE1 TYR A 43 12.584 19.132 8.839 1.00 0.00 H ATOM 704 HD1 TYR A 43 13.395 19.534 11.139 1.00 0.00 H ATOM 705 HH TYR A 43 11.068 19.689 7.282 1.00 0.00 H ATOM 706 H TYR A 43 15.104 21.455 12.354 1.00 0.00 H ATOM 707 N CYS A 44 12.897 22.795 15.447 1.00 12.62 N ATOM 708 CA CYS A 44 13.238 22.855 16.839 1.00 11.44 C ATOM 709 C CYS A 44 12.159 22.149 17.621 1.00 10.81 C ATOM 710 O CYS A 44 10.979 22.367 17.381 1.00 10.51 O ATOM 711 CB CYS A 44 13.342 24.261 17.294 1.00 13.37 C ATOM 712 SG CYS A 44 13.504 24.360 19.081 1.00 19.65 S ATOM 713 HA CYS A 44 14.204 22.375 16.997 1.00 0.00 H ATOM 714 HB2 CYS A 44 12.446 24.801 16.988 1.00 0.00 H ATOM 715 HB3 CYS A 44 14.216 24.720 16.832 1.00 0.00 H ATOM 716 HG CYS A 44 12.397 23.787 19.674 1.00 0.00 H ATOM 717 H CYS A 44 11.909 22.926 15.149 1.00 0.00 H ATOM 718 N LEU A 45 12.581 21.241 18.490 1.00 9.62 N ATOM 719 CA LEU A 45 11.680 20.506 19.382 1.00 8.72 C ATOM 720 C LEU A 45 11.756 21.238 20.748 1.00 9.03 C ATOM 721 O LEU A 45 12.816 21.221 21.389 1.00 7.63 O ATOM 722 CB LEU A 45 12.148 19.066 19.503 1.00 8.56 C ATOM 723 CG LEU A 45 11.522 18.166 20.589 1.00 7.77 C ATOM 724 CD1 LEU A 45 10.034 17.934 20.245 1.00 7.34 C ATOM 725 CD2 LEU A 45 12.272 16.795 20.725 1.00 6.14 C ATOM 726 HA LEU A 45 10.655 20.479 19.012 1.00 0.00 H ATOM 727 HB2 LEU A 45 11.960 18.587 18.542 1.00 0.00 H ATOM 728 HB3 LEU A 45 13.222 19.093 19.690 1.00 0.00 H ATOM 729 HG LEU A 45 11.613 18.671 21.551 1.00 0.00 H ATOM 730 HD21 LEU A 45 12.228 16.262 19.775 1.00 0.00 H ATOM 731 HD22 LEU A 45 13.313 16.977 20.993 1.00 0.00 H ATOM 732 HD23 LEU A 45 11.795 16.197 21.501 1.00 0.00 H ATOM 733 HD11 LEU A 45 9.516 18.892 20.214 1.00 0.00 H ATOM 734 HD12 LEU A 45 9.959 17.448 19.272 1.00 0.00 H ATOM 735 HD13 LEU A 45 9.581 17.299 21.006 1.00 0.00 H ATOM 736 H LEU A 45 13.600 21.041 18.541 1.00 0.00 H ATOM 737 N SER A 46 10.698 21.958 21.131 1.00 7.83 N ATOM 738 CA SER A 46 10.681 22.692 22.410 1.00 7.86 C ATOM 739 C SER A 46 9.948 21.835 23.428 1.00 7.54 C ATOM 740 O SER A 46 8.805 21.374 23.174 1.00 7.13 O ATOM 741 CB SER A 46 10.031 24.038 22.227 1.00 8.17 C ATOM 742 OG SER A 46 10.782 24.797 21.314 1.00 7.61 O ATOM 743 HA SER A 46 11.693 22.880 22.767 1.00 0.00 H ATOM 744 HB2 SER A 46 9.991 24.556 23.185 1.00 0.00 H ATOM 745 HB3 SER A 46 9.019 23.905 21.844 1.00 0.00 H ATOM 746 HG SER A 46 11.701 24.917 21.663 1.00 0.00 H ATOM 747 H SER A 46 9.864 22.002 20.511 1.00 0.00 H ATOM 748 N VAL A 47 10.574 21.635 24.583 1.00 7.68 N ATOM 749 CA VAL A 47 10.036 20.717 25.594 1.00 8.84 C ATOM 750 C VAL A 47 9.951 21.285 27.000 1.00 8.22 C ATOM 751 O VAL A 47 10.895 21.948 27.447 1.00 8.47 O ATOM 752 CB VAL A 47 10.911 19.407 25.631 1.00 7.48 C ATOM 753 CG1 VAL A 47 10.276 18.338 26.574 1.00 8.75 C ATOM 754 CG2 VAL A 47 11.124 18.854 24.225 1.00 8.64 C ATOM 755 HA VAL A 47 9.010 20.518 25.285 1.00 0.00 H ATOM 756 HB VAL A 47 11.890 19.664 26.036 1.00 0.00 H ATOM 757 HG11 VAL A 47 10.207 18.742 27.584 1.00 0.00 H ATOM 758 HG12 VAL A 47 9.279 18.084 26.214 1.00 0.00 H ATOM 759 HG13 VAL A 47 10.900 17.445 26.581 1.00 0.00 H ATOM 760 HG21 VAL A 47 10.158 18.618 23.779 1.00 0.00 H ATOM 761 HG22 VAL A 47 11.635 19.600 23.616 1.00 0.00 H ATOM 762 HG23 VAL A 47 11.731 17.950 24.280 1.00 0.00 H ATOM 763 H VAL A 47 11.463 22.139 24.774 1.00 0.00 H ATOM 764 N SER A 48 8.827 21.057 27.690 1.00 8.22 N ATOM 765 CA SER A 48 8.709 21.547 29.067 1.00 9.50 C ATOM 766 C SER A 48 9.352 20.519 30.021 1.00 10.12 C ATOM 767 O SER A 48 9.360 19.274 29.784 1.00 8.27 O ATOM 768 CB SER A 48 7.209 21.808 29.487 1.00 9.19 C ATOM 769 OG SER A 48 6.556 20.574 29.748 1.00 9.51 O ATOM 770 HA SER A 48 9.227 22.504 29.130 1.00 0.00 H ATOM 771 HB2 SER A 48 6.693 22.326 28.679 1.00 0.00 H ATOM 772 HB3 SER A 48 7.187 22.425 30.385 1.00 0.00 H ATOM 773 HG SER A 48 7.024 20.104 30.483 1.00 0.00 H ATOM 774 H SER A 48 8.041 20.535 27.252 1.00 0.00 H ATOM 775 N ASP A 49 9.919 21.067 31.102 1.00 11.03 N ATOM 776 CA ASP A 49 10.566 20.284 32.139 1.00 10.87 C ATOM 777 C ASP A 49 10.203 20.915 33.471 1.00 11.77 C ATOM 778 O ASP A 49 9.646 22.046 33.580 1.00 10.06 O ATOM 779 CB ASP A 49 12.046 20.326 31.952 1.00 12.46 C ATOM 780 CG ASP A 49 12.777 19.223 32.696 1.00 15.60 C ATOM 781 OD1 ASP A 49 12.163 18.194 33.094 1.00 16.34 O ATOM 782 OD2 ASP A 49 14.013 19.365 32.834 1.00 16.01 O ATOM 783 HA ASP A 49 10.241 19.244 32.099 1.00 0.00 H ATOM 784 HB2 ASP A 49 12.263 20.229 30.888 1.00 0.00 H ATOM 785 HB3 ASP A 49 12.413 21.288 32.311 1.00 0.00 H ATOM 786 H ASP A 49 9.895 22.102 31.204 1.00 0.00 H ATOM 787 N PHE A 50 10.516 20.152 34.511 1.00 12.66 N ATOM 788 CA PHE A 50 10.279 20.564 35.868 1.00 13.92 C ATOM 789 C PHE A 50 11.171 19.782 36.820 1.00 14.69 C ATOM 790 O PHE A 50 11.210 18.547 36.749 1.00 13.72 O ATOM 791 CB PHE A 50 8.784 20.275 36.276 1.00 12.34 C ATOM 792 CG PHE A 50 8.441 20.779 37.655 1.00 12.85 C ATOM 793 CD1 PHE A 50 8.685 19.978 38.788 1.00 11.60 C ATOM 794 CD2 PHE A 50 7.982 22.085 37.825 1.00 11.50 C ATOM 795 CE1 PHE A 50 8.488 20.482 40.068 1.00 12.62 C ATOM 796 CE2 PHE A 50 7.780 22.607 39.094 1.00 12.81 C ATOM 797 CZ PHE A 50 8.038 21.803 40.225 1.00 13.00 C ATOM 798 HA PHE A 50 10.493 21.631 35.932 1.00 0.00 H ATOM 799 HB2 PHE A 50 8.127 20.761 35.555 1.00 0.00 H ATOM 800 HB3 PHE A 50 8.618 19.198 36.248 1.00 0.00 H ATOM 801 HD2 PHE A 50 7.780 22.703 36.950 1.00 0.00 H ATOM 802 HE2 PHE A 50 7.425 23.630 39.217 1.00 0.00 H ATOM 803 HZ PHE A 50 7.887 22.209 41.225 1.00 0.00 H ATOM 804 HE1 PHE A 50 8.681 19.858 40.941 1.00 0.00 H ATOM 805 HD1 PHE A 50 9.032 18.953 38.659 1.00 0.00 H ATOM 806 H PHE A 50 10.948 19.222 34.338 1.00 0.00 H ATOM 807 N ASP A 51 11.850 20.507 37.707 1.00 16.64 N ATOM 808 CA ASP A 51 12.633 19.898 38.786 1.00 18.28 C ATOM 809 C ASP A 51 12.672 20.878 39.935 1.00 19.62 C ATOM 810 O ASP A 51 12.272 22.038 39.783 1.00 19.67 O ATOM 811 CB ASP A 51 14.083 19.370 38.362 1.00 20.14 C ATOM 812 CG ASP A 51 15.005 20.450 37.822 1.00 20.99 C ATOM 813 OD1 ASP A 51 15.881 20.079 37.029 1.00 23.38 O ATOM 814 OD2 ASP A 51 14.893 21.632 38.164 1.00 22.47 O ATOM 815 HA ASP A 51 12.134 18.977 39.088 1.00 0.00 H ATOM 816 HB2 ASP A 51 14.554 18.924 39.238 1.00 0.00 H ATOM 817 HB3 ASP A 51 13.958 18.610 37.591 1.00 0.00 H ATOM 818 H ASP A 51 11.824 21.544 37.631 1.00 0.00 H ATOM 819 N ASN A 52 13.123 20.413 41.093 1.00 21.33 N ATOM 820 CA ASN A 52 13.168 21.280 42.271 1.00 23.58 C ATOM 821 C ASN A 52 14.218 22.395 42.196 1.00 23.73 C ATOM 822 O ASN A 52 14.075 23.416 42.841 1.00 24.37 O ATOM 823 CB ASN A 52 13.321 20.414 43.584 1.00 25.04 C ATOM 824 CG ASN A 52 12.048 19.617 43.911 1.00 26.94 C ATOM 825 OD1 ASN A 52 10.955 19.878 43.349 1.00 27.48 O ATOM 826 ND2 ASN A 52 12.172 18.653 44.814 1.00 25.24 N ATOM 827 HA ASN A 52 12.213 21.805 42.300 1.00 0.00 H ATOM 828 HB2 ASN A 52 14.147 19.716 43.449 1.00 0.00 H ATOM 829 HB3 ASN A 52 13.542 21.079 44.419 1.00 0.00 H ATOM 830 HD22 ASN A 52 13.096 18.470 45.255 1.00 0.00 H ATOM 831 HD21 ASN A 52 11.346 18.081 45.080 1.00 0.00 H ATOM 832 H ASN A 52 13.446 19.427 41.164 1.00 0.00 H ATOM 833 N ALA A 53 15.256 22.179 41.394 1.00 23.12 N ATOM 834 CA ALA A 53 16.316 23.172 41.217 1.00 24.17 C ATOM 835 C ALA A 53 15.837 24.345 40.370 1.00 23.90 C ATOM 836 O ALA A 53 15.939 25.489 40.754 1.00 23.45 O ATOM 837 CB ALA A 53 17.562 22.529 40.553 1.00 23.00 C ATOM 838 HA ALA A 53 16.586 23.543 42.206 1.00 0.00 H ATOM 839 HB1 ALA A 53 17.934 21.723 41.186 1.00 0.00 H ATOM 840 HB2 ALA A 53 17.286 22.129 39.577 1.00 0.00 H ATOM 841 HB3 ALA A 53 18.338 23.285 40.431 1.00 0.00 H ATOM 842 H ALA A 53 15.316 21.278 40.878 1.00 0.00 H ATOM 843 N LYS A 54 15.257 24.012 39.222 1.00 23.25 N ATOM 844 CA LYS A 54 14.796 25.010 38.264 1.00 23.96 C ATOM 845 C LYS A 54 13.291 25.261 38.196 1.00 22.69 C ATOM 846 O LYS A 54 12.889 26.258 37.563 1.00 23.08 O ATOM 847 CB LYS A 54 15.246 24.614 36.857 1.00 24.98 C ATOM 848 CG LYS A 54 16.699 24.262 36.749 1.00 28.69 C ATOM 849 CD LYS A 54 17.055 24.106 35.325 1.00 31.05 C ATOM 850 CE LYS A 54 18.524 24.091 35.148 1.00 33.34 C ATOM 851 NZ LYS A 54 18.825 24.571 33.773 1.00 35.48 N ATOM 852 HA LYS A 54 15.241 25.935 38.629 1.00 0.00 H ATOM 853 HB2 LYS A 54 14.661 23.750 36.542 1.00 0.00 H ATOM 854 HB3 LYS A 54 15.047 25.450 36.187 1.00 0.00 H ATOM 855 HG2 LYS A 54 17.301 25.056 37.191 1.00 0.00 H ATOM 856 HG3 LYS A 54 16.888 23.328 37.277 1.00 0.00 H ATOM 857 HD2 LYS A 54 16.641 23.169 34.954 1.00 0.00 H ATOM 858 HD3 LYS A 54 16.635 24.937 34.758 1.00 0.00 H ATOM 859 HE2 LYS A 54 18.902 23.077 35.277 1.00 0.00 H ATOM 860 HE3 LYS A 54 18.992 24.748 35.881 1.00 0.00 H ATOM 861 HZ1 LYS A 54 18.372 23.941 33.080 1.00 0.00 H ATOM 862 HZ2 LYS A 54 18.458 25.537 33.656 1.00 0.00 H ATOM 863 HZ3 LYS A 54 19.854 24.569 33.624 1.00 0.00 H ATOM 864 H LYS A 54 15.127 23.005 38.999 1.00 0.00 H ATOM 865 N GLY A 55 12.482 24.393 38.794 1.00 20.43 N ATOM 866 CA GLY A 55 11.050 24.570 38.665 1.00 18.52 C ATOM 867 C GLY A 55 10.681 24.311 37.199 1.00 16.27 C ATOM 868 O GLY A 55 11.374 23.538 36.498 1.00 13.87 O ATOM 869 HA3 GLY A 55 10.774 25.587 38.944 1.00 0.00 H ATOM 870 HA2 GLY A 55 10.528 23.863 39.310 1.00 0.00 H ATOM 871 H GLY A 55 12.870 23.601 39.345 1.00 0.00 H ATOM 872 N LEU A 56 9.589 24.935 36.750 1.00 15.19 N ATOM 873 CA LEU A 56 9.081 24.804 35.378 1.00 15.45 C ATOM 874 C LEU A 56 10.006 25.546 34.417 1.00 14.73 C ATOM 875 O LEU A 56 10.233 26.738 34.594 1.00 14.59 O ATOM 876 CB LEU A 56 7.655 25.401 35.267 1.00 15.74 C ATOM 877 CG LEU A 56 6.905 25.248 33.935 1.00 16.44 C ATOM 878 CD1 LEU A 56 6.698 23.766 33.582 1.00 15.83 C ATOM 879 CD2 LEU A 56 5.555 25.972 34.065 1.00 17.41 C ATOM 880 HA LEU A 56 9.046 23.745 35.121 1.00 0.00 H ATOM 881 HB2 LEU A 56 7.046 24.928 36.037 1.00 0.00 H ATOM 882 HB3 LEU A 56 7.734 26.468 35.473 1.00 0.00 H ATOM 883 HG LEU A 56 7.491 25.688 33.128 1.00 0.00 H ATOM 884 HD21 LEU A 56 4.980 25.524 34.875 1.00 0.00 H ATOM 885 HD22 LEU A 56 5.729 27.026 34.281 1.00 0.00 H ATOM 886 HD23 LEU A 56 5.002 25.878 33.130 1.00 0.00 H ATOM 887 HD11 LEU A 56 7.668 23.276 33.495 1.00 0.00 H ATOM 888 HD12 LEU A 56 6.116 23.285 34.368 1.00 0.00 H ATOM 889 HD13 LEU A 56 6.165 23.691 32.634 1.00 0.00 H ATOM 890 H LEU A 56 9.069 25.549 37.409 1.00 0.00 H ATOM 891 N ASN A 57 10.484 24.857 33.384 1.00 13.17 N ATOM 892 CA ASN A 57 11.399 25.479 32.448 1.00 12.94 C ATOM 893 C ASN A 57 11.301 24.810 31.076 1.00 12.17 C ATOM 894 O ASN A 57 10.690 23.742 30.918 1.00 12.45 O ATOM 895 CB ASN A 57 12.905 25.432 33.036 1.00 13.28 C ATOM 896 CG ASN A 57 13.461 24.008 33.120 1.00 12.78 C ATOM 897 OD1 ASN A 57 14.258 23.608 32.307 1.00 15.18 O ATOM 898 ND2 ASN A 57 13.052 23.262 34.136 1.00 13.07 N ATOM 899 HA ASN A 57 11.124 26.525 32.317 1.00 0.00 H ATOM 900 HB2 ASN A 57 13.552 26.022 32.387 1.00 0.00 H ATOM 901 HB3 ASN A 57 12.903 25.866 34.036 1.00 0.00 H ATOM 902 HD22 ASN A 57 12.364 23.642 34.816 1.00 0.00 H ATOM 903 HD21 ASN A 57 13.419 22.296 34.253 1.00 0.00 H ATOM 904 H ASN A 57 10.199 23.866 33.247 1.00 0.00 H ATOM 905 N VAL A 58 11.903 25.439 30.075 1.00 10.01 N ATOM 906 CA VAL A 58 11.837 24.925 28.722 1.00 8.74 C ATOM 907 C VAL A 58 13.203 24.607 28.098 1.00 9.11 C ATOM 908 O VAL A 58 14.168 25.368 28.315 1.00 9.34 O ATOM 909 CB VAL A 58 11.120 25.943 27.827 1.00 8.53 C ATOM 910 CG1 VAL A 58 11.127 25.468 26.379 1.00 7.09 C ATOM 911 CG2 VAL A 58 9.691 26.184 28.337 1.00 9.20 C ATOM 912 HA VAL A 58 11.294 23.982 28.787 1.00 0.00 H ATOM 913 HB VAL A 58 11.652 26.894 27.867 1.00 0.00 H ATOM 914 HG11 VAL A 58 12.157 25.357 26.039 1.00 0.00 H ATOM 915 HG12 VAL A 58 10.615 24.508 26.310 1.00 0.00 H ATOM 916 HG13 VAL A 58 10.615 26.200 25.755 1.00 0.00 H ATOM 917 HG21 VAL A 58 9.138 25.245 28.323 1.00 0.00 H ATOM 918 HG22 VAL A 58 9.730 26.569 29.356 1.00 0.00 H ATOM 919 HG23 VAL A 58 9.194 26.909 27.692 1.00 0.00 H ATOM 920 H VAL A 58 12.431 26.315 30.265 1.00 0.00 H ATOM 921 N LYS A 59 13.306 23.473 27.404 1.00 8.62 N ATOM 922 CA LYS A 59 14.527 23.102 26.680 1.00 9.75 C ATOM 923 C LYS A 59 14.210 23.084 25.177 1.00 9.89 C ATOM 924 O LYS A 59 13.102 22.747 24.783 1.00 9.05 O ATOM 925 CB LYS A 59 15.058 21.732 27.088 1.00 12.12 C ATOM 926 CG LYS A 59 16.028 21.730 28.318 1.00 15.22 C ATOM 927 CD LYS A 59 15.286 21.858 29.660 1.00 18.30 C ATOM 928 CE LYS A 59 16.280 21.767 30.876 1.00 20.37 C ATOM 929 NZ LYS A 59 15.617 21.382 32.148 1.00 18.42 N ATOM 930 HA LYS A 59 15.297 23.835 26.922 1.00 0.00 H ATOM 931 HB2 LYS A 59 14.205 21.098 27.330 1.00 0.00 H ATOM 932 HB3 LYS A 59 15.592 21.310 26.237 1.00 0.00 H ATOM 933 HG2 LYS A 59 16.590 20.796 28.318 1.00 0.00 H ATOM 934 HG3 LYS A 59 16.718 22.568 28.220 1.00 0.00 H ATOM 935 HD2 LYS A 59 14.773 22.819 29.692 1.00 0.00 H ATOM 936 HD3 LYS A 59 14.554 21.054 29.739 1.00 0.00 H ATOM 937 HE2 LYS A 59 16.751 22.740 31.012 1.00 0.00 H ATOM 938 HE3 LYS A 59 17.043 21.024 30.645 1.00 0.00 H ATOM 939 HZ1 LYS A 59 14.892 22.088 32.387 1.00 0.00 H ATOM 940 HZ2 LYS A 59 15.171 20.449 32.036 1.00 0.00 H ATOM 941 HZ3 LYS A 59 16.326 21.340 32.908 1.00 0.00 H ATOM 942 H LYS A 59 12.491 22.828 27.375 1.00 0.00 H ATOM 943 N HIS A 60 15.169 23.518 24.363 1.00 8.16 N ATOM 944 CA HIS A 60 15.035 23.555 22.907 1.00 9.33 C ATOM 945 C HIS A 60 16.098 22.662 22.262 1.00 9.43 C ATOM 946 O HIS A 60 17.275 22.831 22.532 1.00 9.63 O ATOM 947 CB HIS A 60 15.207 25.037 22.393 1.00 8.57 C ATOM 948 CG HIS A 60 14.217 25.992 22.980 1.00 9.45 C ATOM 949 ND1 HIS A 60 12.894 26.015 22.597 1.00 8.69 N ATOM 950 CD2 HIS A 60 14.357 26.961 23.917 1.00 8.07 C ATOM 951 CE1 HIS A 60 12.265 26.967 23.264 1.00 8.92 C ATOM 952 NE2 HIS A 60 13.127 27.554 24.075 1.00 8.95 N ATOM 953 HA HIS A 60 14.045 23.190 22.632 1.00 0.00 H ATOM 954 HB2 HIS A 60 16.210 25.378 22.651 1.00 0.00 H ATOM 955 HB3 HIS A 60 15.091 25.042 21.309 1.00 0.00 H ATOM 956 HD2 HIS A 60 15.274 27.221 24.446 1.00 0.00 H ATOM 957 HE1 HIS A 60 11.211 27.225 23.162 1.00 0.00 H ATOM 958 H HIS A 60 16.061 23.848 24.784 1.00 0.00 H ATOM 959 N TYR A 61 15.665 21.732 21.418 1.00 8.56 N ATOM 960 CA TYR A 61 16.551 20.811 20.738 1.00 10.05 C ATOM 961 C TYR A 61 16.432 20.997 19.227 1.00 11.34 C ATOM 962 O TYR A 61 15.339 20.897 18.635 1.00 10.91 O ATOM 963 CB TYR A 61 16.164 19.369 21.094 1.00 8.94 C ATOM 964 CG TYR A 61 16.199 19.091 22.565 1.00 8.88 C ATOM 965 CD1 TYR A 61 15.049 19.191 23.329 1.00 8.48 C ATOM 966 CD2 TYR A 61 17.397 18.761 23.208 1.00 8.51 C ATOM 967 CE1 TYR A 61 15.083 18.989 24.685 1.00 9.29 C ATOM 968 CE2 TYR A 61 17.440 18.550 24.579 1.00 8.67 C ATOM 969 CZ TYR A 61 16.270 18.673 25.311 1.00 9.86 C ATOM 970 OH TYR A 61 16.260 18.512 26.658 1.00 9.48 O ATOM 971 HA TYR A 61 17.576 21.008 21.051 1.00 0.00 H ATOM 972 HB3 TYR A 61 16.859 18.692 20.597 1.00 0.00 H ATOM 973 HB2 TYR A 61 15.154 19.182 20.730 1.00 0.00 H ATOM 974 HD2 TYR A 61 18.312 18.668 22.622 1.00 0.00 H ATOM 975 HE2 TYR A 61 18.378 18.292 25.071 1.00 0.00 H ATOM 976 HE1 TYR A 61 14.168 19.079 25.270 1.00 0.00 H ATOM 977 HD1 TYR A 61 14.103 19.434 22.846 1.00 0.00 H ATOM 978 HH TYR A 61 16.574 17.600 26.883 1.00 0.00 H ATOM 979 H TYR A 61 14.643 21.662 21.238 1.00 0.00 H ATOM 980 N LYS A 62 17.561 21.240 18.581 1.00 12.22 N ATOM 981 CA LYS A 62 17.568 21.437 17.133 1.00 12.88 C ATOM 982 C LYS A 62 17.414 20.096 16.430 1.00 12.65 C ATOM 983 O LYS A 62 18.032 19.111 16.807 1.00 12.00 O ATOM 984 CB LYS A 62 18.888 22.112 16.708 1.00 14.79 C ATOM 985 CG LYS A 62 18.907 22.640 15.286 1.00 21.80 C ATOM 986 CD LYS A 62 19.267 24.146 15.287 1.00 27.09 C ATOM 987 CE LYS A 62 20.392 24.423 16.361 1.00 29.90 C ATOM 988 NZ LYS A 62 20.707 25.874 16.599 1.00 33.28 N ATOM 989 HA LYS A 62 16.734 22.080 16.851 1.00 0.00 H ATOM 990 HB2 LYS A 62 19.073 22.948 17.382 1.00 0.00 H ATOM 991 HB3 LYS A 62 19.690 21.381 16.809 1.00 0.00 H ATOM 992 HG2 LYS A 62 19.649 22.091 14.706 1.00 0.00 H ATOM 993 HG3 LYS A 62 17.923 22.504 14.836 1.00 0.00 H ATOM 994 HD2 LYS A 62 19.629 24.433 14.300 1.00 0.00 H ATOM 995 HD3 LYS A 62 18.380 24.731 15.531 1.00 0.00 H ATOM 996 HE2 LYS A 62 21.305 23.930 16.028 1.00 0.00 H ATOM 997 HE3 LYS A 62 20.070 23.988 17.307 1.00 0.00 H ATOM 998 HZ1 LYS A 62 21.032 26.307 15.711 1.00 0.00 H ATOM 999 HZ2 LYS A 62 19.852 26.363 16.932 1.00 0.00 H ATOM 1000 HZ3 LYS A 62 21.455 25.952 17.318 1.00 0.00 H ATOM 1001 H LYS A 62 18.455 21.291 19.110 1.00 0.00 H ATOM 1002 N ILE A 63 16.495 20.038 15.476 1.00 12.96 N ATOM 1003 CA ILE A 63 16.292 18.822 14.697 1.00 14.04 C ATOM 1004 C ILE A 63 16.803 19.120 13.282 1.00 15.49 C ATOM 1005 O ILE A 63 16.369 20.082 12.629 1.00 13.82 O ATOM 1006 CB ILE A 63 14.806 18.406 14.592 1.00 13.83 C ATOM 1007 CG1 ILE A 63 14.216 18.011 16.043 1.00 14.00 C ATOM 1008 CG2 ILE A 63 14.676 17.242 13.582 1.00 14.01 C ATOM 1009 CD1 ILE A 63 12.710 17.581 16.016 1.00 13.26 C ATOM 1010 HA ILE A 63 16.818 18.004 15.189 1.00 0.00 H ATOM 1011 HB ILE A 63 14.215 19.247 14.230 1.00 0.00 H ATOM 1012 HG12 ILE A 63 14.803 17.183 16.440 1.00 0.00 H ATOM 1013 HG13 ILE A 63 14.316 18.874 16.702 1.00 0.00 H ATOM 1014 HD11 ILE A 63 12.106 18.403 15.633 1.00 0.00 H ATOM 1015 HD12 ILE A 63 12.593 16.711 15.370 1.00 0.00 H ATOM 1016 HD13 ILE A 63 12.387 17.331 17.027 1.00 0.00 H ATOM 1017 HG21 ILE A 63 15.036 17.568 12.606 1.00 0.00 H ATOM 1018 HG22 ILE A 63 15.271 16.396 13.926 1.00 0.00 H ATOM 1019 HG23 ILE A 63 13.630 16.945 13.504 1.00 0.00 H ATOM 1020 H ILE A 63 15.909 20.874 15.280 1.00 0.00 H ATOM 1021 N ARG A 64 17.768 18.323 12.843 1.00 17.18 N ATOM 1022 CA ARG A 64 18.342 18.464 11.513 1.00 20.38 C ATOM 1023 C ARG A 64 17.706 17.483 10.524 1.00 21.14 C ATOM 1024 O ARG A 64 17.231 16.385 10.877 1.00 18.56 O ATOM 1025 CB ARG A 64 19.862 18.257 11.585 1.00 22.87 C ATOM 1026 CG ARG A 64 20.540 19.230 12.538 1.00 28.15 C ATOM 1027 CD ARG A 64 20.327 20.659 12.046 1.00 33.58 C ATOM 1028 NE ARG A 64 21.534 21.245 11.466 1.00 40.25 N ATOM 1029 CZ ARG A 64 21.615 21.963 10.338 1.00 42.93 C ATOM 1030 NH1 ARG A 64 20.516 22.195 9.596 1.00 44.03 N ATOM 1031 NH2 ARG A 64 22.761 22.543 10.005 1.00 43.79 N ATOM 1032 HA ARG A 64 18.134 19.470 11.150 1.00 0.00 H ATOM 1033 HB2 ARG A 64 20.061 17.240 11.924 1.00 0.00 H ATOM 1034 HB3 ARG A 64 20.281 18.395 10.588 1.00 0.00 H ATOM 1035 HG2 ARG A 64 20.111 19.121 13.534 1.00 0.00 H ATOM 1036 HG3 ARG A 64 21.608 19.015 12.578 1.00 0.00 H ATOM 1037 HD2 ARG A 64 20.011 21.274 12.889 1.00 0.00 H ATOM 1038 HD3 ARG A 64 19.544 20.653 11.288 1.00 0.00 H ATOM 1039 HE ARG A 64 22.423 21.088 11.983 1.00 0.00 H ATOM 1040 HH12 ARG A 64 20.587 22.753 8.722 1.00 0.00 H ATOM 1041 HH11 ARG A 64 19.596 21.816 9.897 1.00 0.00 H ATOM 1042 HH22 ARG A 64 22.826 23.101 9.130 1.00 0.00 H ATOM 1043 HH21 ARG A 64 23.594 22.440 10.619 1.00 0.00 H ATOM 1044 H ARG A 64 18.126 17.574 13.469 1.00 0.00 H ATOM 1045 N LYS A 65 17.654 17.916 9.267 1.00 24.64 N ATOM 1046 CA LYS A 65 17.107 17.093 8.196 1.00 28.23 C ATOM 1047 C LYS A 65 18.098 17.087 7.042 1.00 30.52 C ATOM 1048 O LYS A 65 18.480 18.148 6.498 1.00 30.05 O ATOM 1049 CB LYS A 65 15.771 17.626 7.720 1.00 29.73 C ATOM 1050 CG LYS A 65 15.029 16.627 6.811 1.00 32.47 C ATOM 1051 CD LYS A 65 15.386 16.778 5.343 1.00 34.87 C ATOM 1052 CE LYS A 65 14.636 15.761 4.472 1.00 35.54 C ATOM 1053 NZ LYS A 65 14.887 14.379 4.953 1.00 37.68 N ATOM 1054 HA LYS A 65 16.946 16.082 8.570 1.00 0.00 H ATOM 1055 HB2 LYS A 65 15.148 17.837 8.589 1.00 0.00 H ATOM 1056 HB3 LYS A 65 15.940 18.548 7.163 1.00 0.00 H ATOM 1057 HG2 LYS A 65 15.282 15.615 7.128 1.00 0.00 H ATOM 1058 HG3 LYS A 65 13.956 16.784 6.925 1.00 0.00 H ATOM 1059 HD2 LYS A 65 15.125 17.785 5.017 1.00 0.00 H ATOM 1060 HD3 LYS A 65 16.458 16.625 5.222 1.00 0.00 H ATOM 1061 HE2 LYS A 65 14.978 15.850 3.441 1.00 0.00 H ATOM 1062 HE3 LYS A 65 13.567 15.968 4.518 1.00 0.00 H ATOM 1063 HZ1 LYS A 65 15.906 14.177 4.907 1.00 0.00 H ATOM 1064 HZ2 LYS A 65 14.558 14.290 5.936 1.00 0.00 H ATOM 1065 HZ3 LYS A 65 14.372 13.705 4.352 1.00 0.00 H ATOM 1066 H LYS A 65 18.013 18.866 9.043 1.00 0.00 H ATOM 1067 N LEU A 66 18.524 15.888 6.675 1.00 32.59 N ATOM 1068 CA LEU A 66 19.477 15.692 5.592 1.00 35.78 C ATOM 1069 C LEU A 66 18.794 15.750 4.239 1.00 37.51 C ATOM 1070 O LEU A 66 17.645 15.327 4.116 1.00 37.00 O ATOM 1071 CB LEU A 66 20.114 14.325 5.725 1.00 36.52 C ATOM 1072 CG LEU A 66 20.831 14.063 6.989 1.00 36.82 C ATOM 1073 CD1 LEU A 66 21.222 12.600 7.038 1.00 37.20 C ATOM 1074 CD2 LEU A 66 22.044 14.975 7.078 1.00 36.51 C ATOM 1075 HA LEU A 66 20.221 16.486 5.658 1.00 0.00 H ATOM 1076 HB2 LEU A 66 19.325 13.579 5.628 1.00 0.00 H ATOM 1077 HB3 LEU A 66 20.826 14.208 4.908 1.00 0.00 H ATOM 1078 HG LEU A 66 20.192 14.274 7.846 1.00 0.00 H ATOM 1079 HD21 LEU A 66 22.707 14.779 6.235 1.00 0.00 H ATOM 1080 HD22 LEU A 66 21.718 16.015 7.052 1.00 0.00 H ATOM 1081 HD23 LEU A 66 22.574 14.782 8.011 1.00 0.00 H ATOM 1082 HD11 LEU A 66 20.324 11.984 6.988 1.00 0.00 H ATOM 1083 HD12 LEU A 66 21.870 12.370 6.192 1.00 0.00 H ATOM 1084 HD13 LEU A 66 21.752 12.398 7.969 1.00 0.00 H ATOM 1085 H LEU A 66 18.164 15.054 7.180 1.00 0.00 H ATOM 1086 N ASP A 67 19.518 16.231 3.226 1.00 39.98 N ATOM 1087 CA ASP A 67 18.988 16.271 1.865 1.00 42.19 C ATOM 1088 C ASP A 67 18.892 14.803 1.488 1.00 42.60 C ATOM 1089 O ASP A 67 18.048 14.365 0.718 1.00 43.49 O ATOM 1090 CB ASP A 67 19.942 17.049 0.915 1.00 45.04 C ATOM 1091 CG ASP A 67 19.642 18.577 0.872 1.00 48.16 C ATOM 1092 OD1 ASP A 67 18.468 18.984 1.092 1.00 49.92 O ATOM 1093 OD2 ASP A 67 20.579 19.376 0.594 1.00 49.43 O ATOM 1094 HA ASP A 67 18.031 16.788 1.789 1.00 0.00 H ATOM 1095 HB2 ASP A 67 20.967 16.905 1.257 1.00 0.00 H ATOM 1096 HB3 ASP A 67 19.836 16.645 -0.092 1.00 0.00 H ATOM 1097 H ASP A 67 20.479 16.584 3.409 1.00 0.00 H ATOM 1098 N SER A 68 19.761 14.038 2.145 1.00 42.36 N ATOM 1099 CA SER A 68 19.854 12.589 2.032 1.00 42.57 C ATOM 1100 C SER A 68 18.614 11.903 2.662 1.00 41.84 C ATOM 1101 O SER A 68 18.447 10.659 2.556 1.00 42.55 O ATOM 1102 CB SER A 68 21.130 12.111 2.758 1.00 43.78 C ATOM 1103 OG SER A 68 22.003 13.216 2.989 1.00 46.41 O ATOM 1104 HA SER A 68 19.895 12.320 0.976 1.00 0.00 H ATOM 1105 HB2 SER A 68 21.640 11.370 2.142 1.00 0.00 H ATOM 1106 HB3 SER A 68 20.856 11.662 3.712 1.00 0.00 H ATOM 1107 HG SER A 68 22.818 12.900 3.454 1.00 0.00 H ATOM 1108 H SER A 68 20.425 14.512 2.789 1.00 0.00 H ATOM 1109 N GLY A 69 17.822 12.666 3.420 1.00 39.96 N ATOM 1110 CA GLY A 69 16.609 12.101 3.982 1.00 36.77 C ATOM 1111 C GLY A 69 16.368 11.928 5.466 1.00 33.77 C ATOM 1112 O GLY A 69 15.219 11.998 5.895 1.00 34.62 O ATOM 1113 HA3 GLY A 69 16.518 11.105 3.549 1.00 0.00 H ATOM 1114 HA2 GLY A 69 15.795 12.729 3.621 1.00 0.00 H ATOM 1115 H GLY A 69 18.073 13.658 3.606 1.00 0.00 H ATOM 1116 N GLY A 70 17.412 11.705 6.251 1.00 31.11 N ATOM 1117 CA GLY A 70 17.193 11.494 7.672 1.00 26.59 C ATOM 1118 C GLY A 70 16.942 12.726 8.532 1.00 23.89 C ATOM 1119 O GLY A 70 17.423 13.840 8.216 1.00 22.80 O ATOM 1120 HA3 GLY A 70 18.076 10.992 8.068 1.00 0.00 H ATOM 1121 HA2 GLY A 70 16.327 10.840 7.776 1.00 0.00 H ATOM 1122 H GLY A 70 18.374 11.681 5.856 1.00 0.00 H ATOM 1123 N PHE A 71 16.145 12.526 9.586 1.00 20.29 N ATOM 1124 CA PHE A 71 15.840 13.546 10.599 1.00 17.49 C ATOM 1125 C PHE A 71 16.542 13.079 11.886 1.00 15.46 C ATOM 1126 O PHE A 71 16.575 11.853 12.193 1.00 14.08 O ATOM 1127 CB PHE A 71 14.342 13.609 10.896 1.00 16.25 C ATOM 1128 CG PHE A 71 13.537 14.157 9.782 1.00 17.56 C ATOM 1129 CD1 PHE A 71 13.137 13.334 8.739 1.00 18.43 C ATOM 1130 CD2 PHE A 71 13.160 15.492 9.780 1.00 17.43 C ATOM 1131 CE1 PHE A 71 12.361 13.837 7.687 1.00 19.49 C ATOM 1132 CE2 PHE A 71 12.390 16.013 8.742 1.00 19.08 C ATOM 1133 CZ PHE A 71 11.983 15.182 7.691 1.00 19.56 C ATOM 1134 HA PHE A 71 16.164 14.526 10.249 1.00 0.00 H ATOM 1135 HB2 PHE A 71 13.991 12.600 11.111 1.00 0.00 H ATOM 1136 HB3 PHE A 71 14.191 14.239 11.773 1.00 0.00 H ATOM 1137 HD2 PHE A 71 13.470 16.141 10.599 1.00 0.00 H ATOM 1138 HE2 PHE A 71 12.105 17.065 8.748 1.00 0.00 H ATOM 1139 HZ PHE A 71 11.374 15.582 6.880 1.00 0.00 H ATOM 1140 HE1 PHE A 71 12.054 13.183 6.871 1.00 0.00 H ATOM 1141 HD1 PHE A 71 13.430 12.284 8.738 1.00 0.00 H ATOM 1142 H PHE A 71 15.712 11.587 9.697 1.00 0.00 H ATOM 1143 N TYR A 72 17.107 14.019 12.640 1.00 13.33 N ATOM 1144 CA TYR A 72 17.770 13.664 13.902 1.00 11.84 C ATOM 1145 C TYR A 72 18.107 14.871 14.778 1.00 10.40 C ATOM 1146 O TYR A 72 18.124 16.030 14.295 1.00 9.64 O ATOM 1147 CB TYR A 72 19.085 12.890 13.601 1.00 11.86 C ATOM 1148 CG TYR A 72 20.085 13.717 12.827 1.00 12.81 C ATOM 1149 CD1 TYR A 72 20.919 14.659 13.474 1.00 14.51 C ATOM 1150 CD2 TYR A 72 20.223 13.555 11.449 1.00 15.19 C ATOM 1151 CE1 TYR A 72 21.873 15.408 12.761 1.00 14.39 C ATOM 1152 CE2 TYR A 72 21.173 14.303 10.733 1.00 17.48 C ATOM 1153 CZ TYR A 72 21.982 15.205 11.404 1.00 16.49 C ATOM 1154 OH TYR A 72 22.941 15.845 10.697 1.00 19.73 O ATOM 1155 HA TYR A 72 17.061 13.049 14.455 1.00 0.00 H ATOM 1156 HB3 TYR A 72 18.841 12.002 13.018 1.00 0.00 H ATOM 1157 HB2 TYR A 72 19.537 12.590 14.546 1.00 0.00 H ATOM 1158 HD2 TYR A 72 19.588 12.842 10.923 1.00 0.00 H ATOM 1159 HE2 TYR A 72 21.273 14.174 9.655 1.00 0.00 H ATOM 1160 HE1 TYR A 72 22.510 16.131 13.271 1.00 0.00 H ATOM 1161 HD1 TYR A 72 20.820 14.808 14.549 1.00 0.00 H ATOM 1162 HH TYR A 72 23.440 16.454 11.297 1.00 0.00 H ATOM 1163 H TYR A 72 17.079 15.012 12.333 1.00 0.00 H ATOM 1164 N ILE A 73 18.298 14.588 16.070 1.00 9.98 N ATOM 1165 CA ILE A 73 18.777 15.585 17.036 1.00 10.12 C ATOM 1166 C ILE A 73 20.292 15.261 17.128 1.00 10.54 C ATOM 1167 O ILE A 73 21.106 16.173 17.079 1.00 11.72 O ATOM 1168 CB ILE A 73 18.070 15.476 18.409 1.00 10.91 C ATOM 1169 CG1 ILE A 73 16.556 15.898 18.256 1.00 10.80 C ATOM 1170 CG2 ILE A 73 18.780 16.371 19.461 1.00 8.92 C ATOM 1171 CD1 ILE A 73 15.738 15.735 19.538 1.00 12.91 C ATOM 1172 HA ILE A 73 18.570 16.610 16.728 1.00 0.00 H ATOM 1173 HB ILE A 73 18.121 14.444 18.755 1.00 0.00 H ATOM 1174 HG12 ILE A 73 16.519 16.945 17.955 1.00 0.00 H ATOM 1175 HG13 ILE A 73 16.104 15.282 17.479 1.00 0.00 H ATOM 1176 HD11 ILE A 73 15.754 14.690 19.847 1.00 0.00 H ATOM 1177 HD12 ILE A 73 16.170 16.354 20.324 1.00 0.00 H ATOM 1178 HD13 ILE A 73 14.709 16.045 19.353 1.00 0.00 H ATOM 1179 HG21 ILE A 73 19.816 16.050 19.570 1.00 0.00 H ATOM 1180 HG22 ILE A 73 18.753 17.409 19.130 1.00 0.00 H ATOM 1181 HG23 ILE A 73 18.268 16.280 20.419 1.00 0.00 H ATOM 1182 H ILE A 73 18.100 13.624 16.405 1.00 0.00 H ATOM 1183 N THR A 74 20.644 13.978 17.286 1.00 10.35 N ATOM 1184 CA THR A 74 22.052 13.547 17.262 1.00 10.06 C ATOM 1185 C THR A 74 22.214 12.718 15.987 1.00 11.58 C ATOM 1186 O THR A 74 21.385 11.860 15.686 1.00 10.03 O ATOM 1187 CB THR A 74 22.515 12.735 18.515 1.00 10.32 C ATOM 1188 OG1 THR A 74 23.865 12.287 18.303 1.00 10.34 O ATOM 1189 CG2 THR A 74 21.633 11.535 18.802 1.00 10.34 C ATOM 1190 HA THR A 74 22.689 14.431 17.280 1.00 0.00 H ATOM 1191 HB THR A 74 22.446 13.397 19.378 1.00 0.00 H ATOM 1192 HG1 THR A 74 24.168 11.771 19.092 1.00 0.00 H ATOM 1193 HG23 THR A 74 20.608 11.869 18.964 1.00 0.00 H ATOM 1194 HG21 THR A 74 21.664 10.852 17.953 1.00 0.00 H ATOM 1195 HG22 THR A 74 21.995 11.025 19.695 1.00 0.00 H ATOM 1196 H THR A 74 19.901 13.265 17.430 1.00 0.00 H ATOM 1197 N SER A 75 23.297 12.932 15.247 1.00 11.22 N ATOM 1198 CA SER A 75 23.489 12.215 13.994 1.00 13.33 C ATOM 1199 C SER A 75 23.634 10.703 14.161 1.00 12.38 C ATOM 1200 O SER A 75 23.490 9.986 13.189 1.00 12.38 O ATOM 1201 CB SER A 75 24.728 12.799 13.187 1.00 14.15 C ATOM 1202 OG SER A 75 25.931 12.421 13.818 1.00 16.84 O ATOM 1203 HA SER A 75 22.574 12.375 13.424 1.00 0.00 H ATOM 1204 HB2 SER A 75 24.661 13.887 13.158 1.00 0.00 H ATOM 1205 HB3 SER A 75 24.714 12.408 12.170 1.00 0.00 H ATOM 1206 HG SER A 75 25.993 11.433 13.843 1.00 0.00 H ATOM 1207 H SER A 75 24.013 13.616 15.565 1.00 0.00 H ATOM 1208 N ARG A 76 23.880 10.230 15.378 1.00 13.19 N ATOM 1209 CA ARG A 76 24.035 8.796 15.574 1.00 15.68 C ATOM 1210 C ARG A 76 22.669 8.144 15.646 1.00 15.12 C ATOM 1211 O ARG A 76 22.614 6.937 15.592 1.00 17.14 O ATOM 1212 CB ARG A 76 24.786 8.477 16.874 1.00 18.60 C ATOM 1213 CG ARG A 76 25.921 9.445 17.218 1.00 25.97 C ATOM 1214 CD ARG A 76 27.337 9.164 16.591 1.00 30.78 C ATOM 1215 NE ARG A 76 28.337 10.031 17.256 1.00 36.49 N ATOM 1216 CZ ARG A 76 29.488 9.608 17.800 1.00 38.11 C ATOM 1217 NH1 ARG A 76 29.823 8.323 17.749 1.00 39.01 N ATOM 1218 NH2 ARG A 76 30.265 10.458 18.489 1.00 38.61 N ATOM 1219 HA ARG A 76 24.610 8.411 14.732 1.00 0.00 H ATOM 1220 HB2 ARG A 76 24.067 8.493 17.693 1.00 0.00 H ATOM 1221 HB3 ARG A 76 25.210 7.477 16.784 1.00 0.00 H ATOM 1222 HG2 ARG A 76 25.612 10.438 16.893 1.00 0.00 H ATOM 1223 HG3 ARG A 76 26.037 9.439 18.302 1.00 0.00 H ATOM 1224 HD2 ARG A 76 27.315 9.383 15.523 1.00 0.00 H ATOM 1225 HD3 ARG A 76 27.603 8.117 16.741 1.00 0.00 H ATOM 1226 HE ARG A 76 28.130 11.049 17.305 1.00 0.00 H ATOM 1227 HH12 ARG A 76 30.717 8.001 18.173 1.00 0.00 H ATOM 1228 HH11 ARG A 76 29.191 7.639 17.285 1.00 0.00 H ATOM 1229 HH22 ARG A 76 31.156 10.124 18.908 1.00 0.00 H ATOM 1230 HH21 ARG A 76 29.976 11.450 18.603 1.00 0.00 H ATOM 1231 H ARG A 76 23.961 10.880 16.186 1.00 0.00 H ATOM 1232 N THR A 77 21.595 8.923 15.724 1.00 13.24 N ATOM 1233 CA THR A 77 20.245 8.348 15.854 1.00 13.19 C ATOM 1234 C THR A 77 19.281 9.081 14.931 1.00 12.93 C ATOM 1235 O THR A 77 18.661 10.083 15.317 1.00 12.92 O ATOM 1236 CB THR A 77 19.771 8.448 17.335 1.00 13.77 C ATOM 1237 OG1 THR A 77 20.796 7.899 18.180 1.00 15.30 O ATOM 1238 CG2 THR A 77 18.454 7.693 17.572 1.00 12.83 C ATOM 1239 HA THR A 77 20.268 7.297 15.566 1.00 0.00 H ATOM 1240 HB THR A 77 19.592 9.498 17.568 1.00 0.00 H ATOM 1241 HG1 THR A 77 20.508 7.956 19.126 1.00 0.00 H ATOM 1242 HG23 THR A 77 17.677 8.110 16.931 1.00 0.00 H ATOM 1243 HG21 THR A 77 18.594 6.638 17.336 1.00 0.00 H ATOM 1244 HG22 THR A 77 18.160 7.797 18.616 1.00 0.00 H ATOM 1245 H THR A 77 21.710 9.956 15.693 1.00 0.00 H ATOM 1246 N GLN A 78 19.134 8.543 13.721 1.00 11.70 N ATOM 1247 CA GLN A 78 18.310 9.156 12.695 1.00 11.71 C ATOM 1248 C GLN A 78 17.014 8.428 12.409 1.00 11.47 C ATOM 1249 O GLN A 78 16.861 7.223 12.670 1.00 11.74 O ATOM 1250 CB GLN A 78 19.097 9.288 11.447 1.00 12.25 C ATOM 1251 CG GLN A 78 20.416 9.941 11.690 1.00 14.70 C ATOM 1252 CD GLN A 78 21.219 10.210 10.434 1.00 17.53 C ATOM 1253 OE1 GLN A 78 22.439 10.455 10.522 1.00 18.77 O ATOM 1254 NE2 GLN A 78 20.564 10.214 9.268 1.00 17.68 N ATOM 1255 HA GLN A 78 18.019 10.132 13.084 1.00 0.00 H ATOM 1256 HB2 GLN A 78 19.266 8.295 11.030 1.00 0.00 H ATOM 1257 HB3 GLN A 78 18.531 9.889 10.735 1.00 0.00 H ATOM 1258 HG2 GLN A 78 20.239 10.892 12.193 1.00 0.00 H ATOM 1259 HG3 GLN A 78 21.004 9.292 12.339 1.00 0.00 H ATOM 1260 HE22 GLN A 78 19.546 10.004 9.243 1.00 0.00 H ATOM 1261 HE21 GLN A 78 21.073 10.427 8.386 1.00 0.00 H ATOM 1262 H GLN A 78 19.627 7.653 13.504 1.00 0.00 H ATOM 1263 N PHE A 79 16.091 9.176 11.818 1.00 12.24 N ATOM 1264 CA PHE A 79 14.763 8.679 11.482 1.00 13.34 C ATOM 1265 C PHE A 79 14.358 9.068 10.046 1.00 14.20 C ATOM 1266 O PHE A 79 14.797 10.080 9.467 1.00 13.79 O ATOM 1267 CB PHE A 79 13.751 9.228 12.509 1.00 12.27 C ATOM 1268 CG PHE A 79 14.109 8.891 13.916 1.00 12.35 C ATOM 1269 CD1 PHE A 79 14.875 9.760 14.671 1.00 10.99 C ATOM 1270 CD2 PHE A 79 13.772 7.653 14.457 1.00 11.82 C ATOM 1271 CE1 PHE A 79 15.303 9.395 15.939 1.00 12.08 C ATOM 1272 CE2 PHE A 79 14.197 7.293 15.717 1.00 12.00 C ATOM 1273 CZ PHE A 79 14.966 8.161 16.460 1.00 12.00 C ATOM 1274 HA PHE A 79 14.771 7.590 11.522 1.00 0.00 H ATOM 1275 HB2 PHE A 79 13.710 10.313 12.411 1.00 0.00 H ATOM 1276 HB3 PHE A 79 12.770 8.807 12.289 1.00 0.00 H ATOM 1277 HD2 PHE A 79 13.164 6.960 13.876 1.00 0.00 H ATOM 1278 HE2 PHE A 79 13.924 6.320 16.126 1.00 0.00 H ATOM 1279 HZ PHE A 79 15.307 7.875 17.455 1.00 0.00 H ATOM 1280 HE1 PHE A 79 15.908 10.085 16.527 1.00 0.00 H ATOM 1281 HD1 PHE A 79 15.144 10.736 14.268 1.00 0.00 H ATOM 1282 H PHE A 79 16.326 10.162 11.584 1.00 0.00 H ATOM 1283 N ASN A 80 13.526 8.216 9.451 1.00 15.76 N ATOM 1284 CA ASN A 80 13.038 8.426 8.095 1.00 16.93 C ATOM 1285 C ASN A 80 12.006 9.560 8.005 1.00 16.89 C ATOM 1286 O ASN A 80 11.690 10.014 6.919 1.00 18.37 O ATOM 1287 CB ASN A 80 12.414 7.077 7.520 1.00 17.98 C ATOM 1288 CG ASN A 80 13.432 5.960 7.429 1.00 20.24 C ATOM 1289 OD1 ASN A 80 14.627 6.212 7.238 1.00 19.02 O ATOM 1290 ND2 ASN A 80 12.974 4.716 7.590 1.00 20.24 N ATOM 1291 HA ASN A 80 13.896 8.723 7.492 1.00 0.00 H ATOM 1292 HB2 ASN A 80 11.603 6.759 8.176 1.00 0.00 H ATOM 1293 HB3 ASN A 80 12.018 7.272 6.523 1.00 0.00 H ATOM 1294 HD22 ASN A 80 11.959 4.552 7.748 1.00 0.00 H ATOM 1295 HD21 ASN A 80 13.632 3.911 7.557 1.00 0.00 H ATOM 1296 H ASN A 80 13.214 7.372 9.972 1.00 0.00 H ATOM 1297 N SER A 81 11.440 9.964 9.140 1.00 16.44 N ATOM 1298 CA SER A 81 10.441 11.038 9.178 1.00 15.34 C ATOM 1299 C SER A 81 10.432 11.754 10.532 1.00 14.64 C ATOM 1300 O SER A 81 10.805 11.180 11.562 1.00 15.42 O ATOM 1301 CB SER A 81 9.021 10.447 8.949 1.00 13.95 C ATOM 1302 OG SER A 81 8.667 9.599 10.028 1.00 12.83 O ATOM 1303 HA SER A 81 10.704 11.749 8.394 1.00 0.00 H ATOM 1304 HB2 SER A 81 9.014 9.874 8.022 1.00 0.00 H ATOM 1305 HB3 SER A 81 8.299 11.260 8.877 1.00 0.00 H ATOM 1306 HG SER A 81 9.321 8.859 10.093 1.00 0.00 H ATOM 1307 H SER A 81 11.715 9.503 10.030 1.00 0.00 H ATOM 1308 N LEU A 82 9.955 12.990 10.531 1.00 14.03 N ATOM 1309 CA LEU A 82 9.822 13.762 11.752 1.00 14.56 C ATOM 1310 C LEU A 82 8.886 13.037 12.752 1.00 14.27 C ATOM 1311 O LEU A 82 9.093 13.001 13.958 1.00 14.35 O ATOM 1312 CB LEU A 82 9.280 15.143 11.388 1.00 15.42 C ATOM 1313 CG LEU A 82 9.367 16.289 12.390 1.00 17.36 C ATOM 1314 CD1 LEU A 82 10.761 16.384 13.010 1.00 17.79 C ATOM 1315 CD2 LEU A 82 9.027 17.593 11.655 1.00 18.71 C ATOM 1316 HA LEU A 82 10.792 13.869 12.238 1.00 0.00 H ATOM 1317 HB2 LEU A 82 9.816 15.465 10.495 1.00 0.00 H ATOM 1318 HB3 LEU A 82 8.224 15.013 11.150 1.00 0.00 H ATOM 1319 HG LEU A 82 8.662 16.111 13.202 1.00 0.00 H ATOM 1320 HD21 LEU A 82 9.739 17.748 10.844 1.00 0.00 H ATOM 1321 HD22 LEU A 82 8.018 17.526 11.247 1.00 0.00 H ATOM 1322 HD23 LEU A 82 9.083 18.428 12.354 1.00 0.00 H ATOM 1323 HD11 LEU A 82 10.991 15.453 13.528 1.00 0.00 H ATOM 1324 HD12 LEU A 82 11.496 16.555 12.224 1.00 0.00 H ATOM 1325 HD13 LEU A 82 10.786 17.212 13.719 1.00 0.00 H ATOM 1326 H LEU A 82 9.667 13.419 9.628 1.00 0.00 H ATOM 1327 N GLN A 83 7.849 12.406 12.219 1.00 14.34 N ATOM 1328 CA GLN A 83 6.886 11.662 13.023 1.00 14.94 C ATOM 1329 C GLN A 83 7.504 10.444 13.724 1.00 14.44 C ATOM 1330 O GLN A 83 7.200 10.143 14.873 1.00 13.41 O ATOM 1331 CB GLN A 83 5.678 11.242 12.132 1.00 17.92 C ATOM 1332 CG GLN A 83 4.931 12.514 11.503 1.00 21.41 C ATOM 1333 CD GLN A 83 5.295 12.899 10.042 1.00 22.41 C ATOM 1334 OE1 GLN A 83 4.413 13.355 9.280 1.00 25.10 O ATOM 1335 NE2 GLN A 83 6.560 12.758 9.655 1.00 20.94 N ATOM 1336 HA GLN A 83 6.542 12.322 13.819 1.00 0.00 H ATOM 1337 HB2 GLN A 83 6.040 10.609 11.322 1.00 0.00 H ATOM 1338 HB3 GLN A 83 4.969 10.681 12.740 1.00 0.00 H ATOM 1339 HG2 GLN A 83 3.860 12.314 11.533 1.00 0.00 H ATOM 1340 HG3 GLN A 83 5.157 13.373 12.135 1.00 0.00 H ATOM 1341 HE22 GLN A 83 7.266 12.375 10.316 1.00 0.00 H ATOM 1342 HE21 GLN A 83 6.843 13.030 8.692 1.00 0.00 H ATOM 1343 H GLN A 83 7.717 12.443 11.188 1.00 0.00 H ATOM 1344 N GLN A 84 8.406 9.753 13.038 1.00 13.59 N ATOM 1345 CA GLN A 84 9.070 8.587 13.639 1.00 13.72 C ATOM 1346 C GLN A 84 10.022 9.042 14.740 1.00 11.49 C ATOM 1347 O GLN A 84 10.216 8.356 15.723 1.00 10.96 O ATOM 1348 CB GLN A 84 9.785 7.771 12.558 1.00 15.70 C ATOM 1349 CG GLN A 84 8.823 6.849 11.818 1.00 18.95 C ATOM 1350 CD GLN A 84 9.411 6.314 10.535 1.00 21.71 C ATOM 1351 OE1 GLN A 84 9.793 7.092 9.644 1.00 23.94 O ATOM 1352 NE2 GLN A 84 9.470 5.001 10.408 1.00 22.10 N ATOM 1353 HA GLN A 84 8.325 7.936 14.096 1.00 0.00 H ATOM 1354 HB2 GLN A 84 10.240 8.455 11.842 1.00 0.00 H ATOM 1355 HB3 GLN A 84 10.562 7.168 13.027 1.00 0.00 H ATOM 1356 HG2 GLN A 84 8.574 6.009 12.466 1.00 0.00 H ATOM 1357 HG3 GLN A 84 7.916 7.405 11.582 1.00 0.00 H ATOM 1358 HE22 GLN A 84 9.139 4.388 11.180 1.00 0.00 H ATOM 1359 HE21 GLN A 84 9.848 4.579 9.536 1.00 0.00 H ATOM 1360 H GLN A 84 8.645 10.039 12.067 1.00 0.00 H ATOM 1361 N LEU A 85 10.594 10.234 14.549 1.00 11.49 N ATOM 1362 CA LEU A 85 11.488 10.850 15.545 1.00 11.40 C ATOM 1363 C LEU A 85 10.673 11.173 16.814 1.00 10.77 C ATOM 1364 O LEU A 85 11.055 10.794 17.926 1.00 10.62 O ATOM 1365 CB LEU A 85 12.142 12.163 14.990 1.00 10.55 C ATOM 1366 CG LEU A 85 13.174 12.851 15.912 1.00 10.93 C ATOM 1367 CD1 LEU A 85 14.201 13.561 15.069 1.00 10.62 C ATOM 1368 CD2 LEU A 85 12.475 13.843 16.840 1.00 10.72 C ATOM 1369 HA LEU A 85 12.290 10.149 15.776 1.00 0.00 H ATOM 1370 HB2 LEU A 85 12.644 11.916 14.054 1.00 0.00 H ATOM 1371 HB3 LEU A 85 11.342 12.877 14.794 1.00 0.00 H ATOM 1372 HG LEU A 85 13.669 12.097 16.524 1.00 0.00 H ATOM 1373 HD21 LEU A 85 11.968 14.601 16.243 1.00 0.00 H ATOM 1374 HD22 LEU A 85 11.746 13.313 17.453 1.00 0.00 H ATOM 1375 HD23 LEU A 85 13.214 14.320 17.483 1.00 0.00 H ATOM 1376 HD11 LEU A 85 14.707 12.838 14.430 1.00 0.00 H ATOM 1377 HD12 LEU A 85 13.707 14.311 14.451 1.00 0.00 H ATOM 1378 HD13 LEU A 85 14.929 14.047 15.718 1.00 0.00 H ATOM 1379 H LEU A 85 10.401 10.746 13.665 1.00 0.00 H ATOM 1380 N VAL A 86 9.546 11.872 16.635 1.00 11.63 N ATOM 1381 CA VAL A 86 8.668 12.208 17.751 1.00 11.99 C ATOM 1382 C VAL A 86 8.188 10.938 18.450 1.00 11.76 C ATOM 1383 O VAL A 86 8.251 10.867 19.662 1.00 11.86 O ATOM 1384 CB VAL A 86 7.481 13.061 17.264 1.00 12.94 C ATOM 1385 CG1 VAL A 86 6.348 13.093 18.327 1.00 13.66 C ATOM 1386 CG2 VAL A 86 7.990 14.474 16.931 1.00 13.19 C ATOM 1387 HA VAL A 86 9.229 12.799 18.475 1.00 0.00 H ATOM 1388 HB VAL A 86 7.054 12.618 16.364 1.00 0.00 H ATOM 1389 HG11 VAL A 86 5.998 12.078 18.513 1.00 0.00 H ATOM 1390 HG12 VAL A 86 6.732 13.522 19.253 1.00 0.00 H ATOM 1391 HG13 VAL A 86 5.522 13.702 17.958 1.00 0.00 H ATOM 1392 HG21 VAL A 86 8.426 14.922 17.824 1.00 0.00 H ATOM 1393 HG22 VAL A 86 8.746 14.411 16.149 1.00 0.00 H ATOM 1394 HG23 VAL A 86 7.157 15.087 16.585 1.00 0.00 H ATOM 1395 H VAL A 86 9.289 12.184 15.676 1.00 0.00 H ATOM 1396 N ALA A 87 7.838 9.894 17.698 1.00 12.52 N ATOM 1397 CA ALA A 87 7.383 8.658 18.335 1.00 12.28 C ATOM 1398 C ALA A 87 8.512 8.034 19.131 1.00 12.67 C ATOM 1399 O ALA A 87 8.271 7.656 20.283 1.00 14.19 O ATOM 1400 CB ALA A 87 6.815 7.648 17.299 1.00 13.88 C ATOM 1401 HA ALA A 87 6.570 8.913 19.014 1.00 0.00 H ATOM 1402 HB1 ALA A 87 5.968 8.098 16.781 1.00 0.00 H ATOM 1403 HB2 ALA A 87 7.591 7.395 16.577 1.00 0.00 H ATOM 1404 HB3 ALA A 87 6.489 6.745 17.815 1.00 0.00 H ATOM 1405 H ALA A 87 7.888 9.958 16.661 1.00 0.00 H ATOM 1406 N TYR A 88 9.731 8.002 18.588 1.00 11.56 N ATOM 1407 CA TYR A 88 10.860 7.416 19.319 1.00 11.44 C ATOM 1408 C TYR A 88 11.133 8.128 20.653 1.00 10.90 C ATOM 1409 O TYR A 88 11.293 7.488 21.700 1.00 10.54 O ATOM 1410 CB TYR A 88 12.131 7.431 18.442 1.00 11.48 C ATOM 1411 CG TYR A 88 13.351 6.903 19.144 1.00 13.29 C ATOM 1412 CD1 TYR A 88 13.677 5.539 19.105 1.00 14.20 C ATOM 1413 CD2 TYR A 88 14.190 7.772 19.855 1.00 14.12 C ATOM 1414 CE1 TYR A 88 14.823 5.055 19.760 1.00 14.66 C ATOM 1415 CE2 TYR A 88 15.320 7.301 20.517 1.00 13.78 C ATOM 1416 CZ TYR A 88 15.630 5.954 20.465 1.00 16.05 C ATOM 1417 OH TYR A 88 16.752 5.532 21.135 1.00 18.30 O ATOM 1418 HA TYR A 88 10.587 6.387 19.553 1.00 0.00 H ATOM 1419 HB3 TYR A 88 12.327 8.459 18.135 1.00 0.00 H ATOM 1420 HB2 TYR A 88 11.948 6.818 17.559 1.00 0.00 H ATOM 1421 HD2 TYR A 88 13.953 8.835 19.890 1.00 0.00 H ATOM 1422 HE2 TYR A 88 15.957 7.989 21.073 1.00 0.00 H ATOM 1423 HE1 TYR A 88 15.079 3.996 19.719 1.00 0.00 H ATOM 1424 HD1 TYR A 88 13.035 4.847 18.561 1.00 0.00 H ATOM 1425 HH TYR A 88 16.658 5.741 22.098 1.00 0.00 H ATOM 1426 H TYR A 88 9.882 8.396 17.638 1.00 0.00 H ATOM 1427 N TYR A 89 11.190 9.457 20.617 1.00 11.09 N ATOM 1428 CA TYR A 89 11.458 10.227 21.830 1.00 10.97 C ATOM 1429 C TYR A 89 10.304 10.299 22.840 1.00 11.32 C ATOM 1430 O TYR A 89 10.471 10.833 23.893 1.00 9.60 O ATOM 1431 CB TYR A 89 12.033 11.645 21.463 1.00 11.47 C ATOM 1432 CG TYR A 89 13.458 11.533 20.917 1.00 11.57 C ATOM 1433 CD1 TYR A 89 13.765 11.830 19.561 1.00 9.95 C ATOM 1434 CD2 TYR A 89 14.489 11.049 21.747 1.00 10.52 C ATOM 1435 CE1 TYR A 89 15.075 11.631 19.055 1.00 9.46 C ATOM 1436 CE2 TYR A 89 15.789 10.853 21.246 1.00 9.99 C ATOM 1437 CZ TYR A 89 16.062 11.143 19.902 1.00 10.62 C ATOM 1438 OH TYR A 89 17.326 10.901 19.438 1.00 11.07 O ATOM 1439 HA TYR A 89 12.219 9.664 22.371 1.00 0.00 H ATOM 1440 HB3 TYR A 89 12.041 12.269 22.357 1.00 0.00 H ATOM 1441 HB2 TYR A 89 11.396 12.104 20.707 1.00 0.00 H ATOM 1442 HD2 TYR A 89 14.276 10.823 22.792 1.00 0.00 H ATOM 1443 HE2 TYR A 89 16.578 10.478 21.898 1.00 0.00 H ATOM 1444 HE1 TYR A 89 15.305 11.858 18.014 1.00 0.00 H ATOM 1445 HD1 TYR A 89 12.985 12.215 18.903 1.00 0.00 H ATOM 1446 HH TYR A 89 17.378 11.149 18.481 1.00 0.00 H ATOM 1447 H TYR A 89 11.042 9.954 19.715 1.00 0.00 H ATOM 1448 N SER A 90 9.134 9.792 22.459 1.00 12.13 N ATOM 1449 CA SER A 90 7.989 9.726 23.358 1.00 13.86 C ATOM 1450 C SER A 90 8.140 8.472 24.211 1.00 16.16 C ATOM 1451 O SER A 90 7.444 8.335 25.230 1.00 16.79 O ATOM 1452 CB SER A 90 6.701 9.616 22.580 1.00 12.56 C ATOM 1453 OG SER A 90 6.415 10.810 21.886 1.00 13.46 O ATOM 1454 HA SER A 90 7.956 10.630 23.967 1.00 0.00 H ATOM 1455 HB2 SER A 90 5.886 9.404 23.272 1.00 0.00 H ATOM 1456 HB3 SER A 90 6.789 8.801 21.862 1.00 0.00 H ATOM 1457 HG SER A 90 7.150 11.006 21.252 1.00 0.00 H ATOM 1458 H SER A 90 9.034 9.431 21.489 1.00 0.00 H ATOM 1459 N LYS A 91 9.032 7.563 23.783 1.00 16.62 N ATOM 1460 CA LYS A 91 9.311 6.297 24.487 1.00 18.33 C ATOM 1461 C LYS A 91 10.709 6.228 25.086 1.00 18.02 C ATOM 1462 O LYS A 91 10.949 5.426 25.942 1.00 18.32 O ATOM 1463 CB LYS A 91 9.136 5.108 23.524 1.00 20.98 C ATOM 1464 CG LYS A 91 7.692 4.880 23.085 1.00 25.35 C ATOM 1465 CD LYS A 91 7.176 3.498 23.582 1.00 30.12 C ATOM 1466 CE LYS A 91 5.775 3.095 22.992 1.00 31.59 C ATOM 1467 NZ LYS A 91 5.697 3.343 21.477 1.00 33.14 N ATOM 1468 HA LYS A 91 8.597 6.250 25.309 1.00 0.00 H ATOM 1469 HB2 LYS A 91 9.741 5.292 22.636 1.00 0.00 H ATOM 1470 HB3 LYS A 91 9.491 4.206 24.023 1.00 0.00 H ATOM 1471 HG2 LYS A 91 7.063 5.667 23.501 1.00 0.00 H ATOM 1472 HG3 LYS A 91 7.640 4.911 21.997 1.00 0.00 H ATOM 1473 HD2 LYS A 91 7.902 2.737 23.296 1.00 0.00 H ATOM 1474 HD3 LYS A 91 7.095 3.531 24.668 1.00 0.00 H ATOM 1475 HE2 LYS A 91 5.002 3.684 23.486 1.00 0.00 H ATOM 1476 HE3 LYS A 91 5.603 2.036 23.185 1.00 0.00 H ATOM 1477 HZ1 LYS A 91 5.854 4.353 21.284 1.00 0.00 H ATOM 1478 HZ2 LYS A 91 6.427 2.779 20.997 1.00 0.00 H ATOM 1479 HZ3 LYS A 91 4.757 3.064 21.129 1.00 0.00 H ATOM 1480 H LYS A 91 9.555 7.763 22.907 1.00 0.00 H ATOM 1481 N HIS A 92 11.637 7.055 24.615 1.00 16.84 N ATOM 1482 CA HIS A 92 13.003 7.030 25.138 1.00 16.47 C ATOM 1483 C HIS A 92 13.424 8.443 25.492 1.00 14.77 C ATOM 1484 O HIS A 92 13.292 9.309 24.649 1.00 15.01 O ATOM 1485 CB HIS A 92 13.999 6.527 24.077 1.00 18.09 C ATOM 1486 CG HIS A 92 13.561 5.275 23.389 1.00 19.28 C ATOM 1487 ND1 HIS A 92 14.100 4.042 23.677 1.00 21.50 N ATOM 1488 CD2 HIS A 92 12.616 5.065 22.442 1.00 19.61 C ATOM 1489 CE1 HIS A 92 13.503 3.119 22.939 1.00 21.36 C ATOM 1490 NE2 HIS A 92 12.598 3.715 22.179 1.00 21.58 N ATOM 1491 HA HIS A 92 13.013 6.368 26.004 1.00 0.00 H ATOM 1492 HB2 HIS A 92 14.125 7.307 23.326 1.00 0.00 H ATOM 1493 HB3 HIS A 92 14.955 6.336 24.565 1.00 0.00 H ATOM 1494 HD2 HIS A 92 11.987 5.824 21.976 1.00 0.00 H ATOM 1495 HE1 HIS A 92 13.720 2.051 22.955 1.00 0.00 H ATOM 1496 H HIS A 92 11.388 7.730 23.864 1.00 0.00 H ATOM 1497 N ALA A 93 13.916 8.660 26.700 1.00 13.59 N ATOM 1498 CA ALA A 93 14.393 9.983 27.059 1.00 13.32 C ATOM 1499 C ALA A 93 15.791 10.192 26.405 1.00 12.83 C ATOM 1500 O ALA A 93 16.036 11.251 25.842 1.00 13.02 O ATOM 1501 CB ALA A 93 14.467 10.139 28.585 1.00 11.04 C ATOM 1502 HA ALA A 93 13.701 10.741 26.693 1.00 0.00 H ATOM 1503 HB1 ALA A 93 13.475 9.994 29.012 1.00 0.00 H ATOM 1504 HB2 ALA A 93 15.152 9.395 28.992 1.00 0.00 H ATOM 1505 HB3 ALA A 93 14.827 11.138 28.830 1.00 0.00 H ATOM 1506 H ALA A 93 13.961 7.884 27.391 1.00 0.00 H ATOM 1507 N ASP A 94 16.652 9.172 26.402 1.00 12.05 N ATOM 1508 CA ASP A 94 18.013 9.339 25.852 1.00 10.99 C ATOM 1509 C ASP A 94 18.673 10.636 26.369 1.00 11.25 C ATOM 1510 O ASP A 94 18.811 10.754 27.601 1.00 12.09 O ATOM 1511 CB ASP A 94 18.011 9.231 24.301 1.00 11.00 C ATOM 1512 CG ASP A 94 17.701 7.796 23.820 1.00 12.46 C ATOM 1513 OD1 ASP A 94 17.452 6.915 24.690 1.00 14.52 O ATOM 1514 OD2 ASP A 94 17.696 7.541 22.591 1.00 12.92 O ATOM 1515 HA ASP A 94 18.631 8.518 26.215 1.00 0.00 H ATOM 1516 HB2 ASP A 94 17.255 9.907 23.902 1.00 0.00 H ATOM 1517 HB3 ASP A 94 18.992 9.524 23.927 1.00 0.00 H ATOM 1518 H ASP A 94 16.362 8.252 26.790 1.00 0.00 H ATOM 1519 N GLY A 95 19.012 11.597 25.513 1.00 11.18 N ATOM 1520 CA GLY A 95 19.624 12.832 25.997 1.00 9.45 C ATOM 1521 C GLY A 95 18.689 14.001 26.259 1.00 9.67 C ATOM 1522 O GLY A 95 19.139 15.130 26.593 1.00 9.96 O ATOM 1523 HA3 GLY A 95 20.354 13.153 25.253 1.00 0.00 H ATOM 1524 HA2 GLY A 95 20.136 12.603 26.931 1.00 0.00 H ATOM 1525 H GLY A 95 18.841 11.468 24.495 1.00 0.00 H ATOM 1526 N LEU A 96 17.386 13.760 26.108 1.00 9.36 N ATOM 1527 CA LEU A 96 16.370 14.794 26.342 1.00 9.85 C ATOM 1528 C LEU A 96 16.134 15.027 27.833 1.00 9.35 C ATOM 1529 O LEU A 96 16.392 14.141 28.665 1.00 9.09 O ATOM 1530 CB LEU A 96 15.009 14.336 25.701 1.00 10.15 C ATOM 1531 CG LEU A 96 14.965 14.043 24.190 1.00 12.02 C ATOM 1532 CD1 LEU A 96 13.521 13.732 23.792 1.00 11.23 C ATOM 1533 CD2 LEU A 96 15.497 15.254 23.377 1.00 12.10 C ATOM 1534 HA LEU A 96 16.730 15.719 25.893 1.00 0.00 H ATOM 1535 HB2 LEU A 96 14.703 13.424 26.214 1.00 0.00 H ATOM 1536 HB3 LEU A 96 14.281 15.123 25.897 1.00 0.00 H ATOM 1537 HG LEU A 96 15.604 13.188 23.970 1.00 0.00 H ATOM 1538 HD21 LEU A 96 14.880 16.128 23.584 1.00 0.00 H ATOM 1539 HD22 LEU A 96 16.528 15.459 23.666 1.00 0.00 H ATOM 1540 HD23 LEU A 96 15.456 15.022 22.313 1.00 0.00 H ATOM 1541 HD11 LEU A 96 13.171 12.862 24.349 1.00 0.00 H ATOM 1542 HD12 LEU A 96 12.889 14.590 24.022 1.00 0.00 H ATOM 1543 HD13 LEU A 96 13.477 13.523 22.723 1.00 0.00 H ATOM 1544 H LEU A 96 17.080 12.810 25.815 1.00 0.00 H ATOM 1545 N CYS A 97 15.525 16.161 28.163 1.00 8.76 N ATOM 1546 CA CYS A 97 15.209 16.462 29.561 1.00 9.85 C ATOM 1547 C CYS A 97 14.112 15.521 30.111 1.00 9.61 C ATOM 1548 O CYS A 97 14.006 15.275 31.374 1.00 10.29 O ATOM 1549 CB CYS A 97 14.800 17.938 29.733 1.00 10.41 C ATOM 1550 SG CYS A 97 13.393 18.461 28.729 1.00 11.27 S ATOM 1551 HA CYS A 97 16.115 16.291 30.143 1.00 0.00 H ATOM 1552 HB2 CYS A 97 15.655 18.559 29.467 1.00 0.00 H ATOM 1553 HB3 CYS A 97 14.547 18.099 30.781 1.00 0.00 H ATOM 1554 HG CYS A 97 13.127 19.793 28.971 1.00 0.00 H ATOM 1555 H CYS A 97 15.270 16.843 27.420 1.00 0.00 H ATOM 1556 N HIS A 98 13.313 14.965 29.202 1.00 9.63 N ATOM 1557 CA HIS A 98 12.242 14.032 29.579 1.00 9.40 C ATOM 1558 C HIS A 98 11.695 13.438 28.296 1.00 8.95 C ATOM 1559 O HIS A 98 11.830 14.068 27.244 1.00 10.65 O ATOM 1560 CB HIS A 98 11.076 14.820 30.330 1.00 10.01 C ATOM 1561 CG HIS A 98 10.085 13.942 31.034 1.00 8.08 C ATOM 1562 ND1 HIS A 98 9.007 13.356 30.401 1.00 9.18 N ATOM 1563 CD2 HIS A 98 10.032 13.532 32.319 1.00 8.22 C ATOM 1564 CE1 HIS A 98 8.337 12.617 31.262 1.00 8.34 C ATOM 1565 NE2 HIS A 98 8.938 12.706 32.433 1.00 9.15 N ATOM 1566 HA HIS A 98 12.624 13.257 30.244 1.00 0.00 H ATOM 1567 HB2 HIS A 98 11.531 15.480 31.068 1.00 0.00 H ATOM 1568 HB3 HIS A 98 10.539 15.417 29.593 1.00 0.00 H ATOM 1569 HD2 HIS A 98 10.725 13.804 33.115 1.00 0.00 H ATOM 1570 HE1 HIS A 98 7.442 12.034 31.045 1.00 0.00 H ATOM 1571 H HIS A 98 13.451 15.198 28.198 1.00 0.00 H ATOM 1572 N ARG A 99 11.109 12.250 28.349 1.00 8.27 N ATOM 1573 CA ARG A 99 10.511 11.706 27.137 1.00 9.22 C ATOM 1574 C ARG A 99 9.314 12.626 26.778 1.00 8.79 C ATOM 1575 O ARG A 99 8.742 13.254 27.690 1.00 9.31 O ATOM 1576 CB ARG A 99 9.996 10.229 27.354 1.00 10.94 C ATOM 1577 CG ARG A 99 8.715 10.140 28.096 1.00 13.64 C ATOM 1578 CD ARG A 99 8.153 8.668 28.174 1.00 16.73 C ATOM 1579 NE ARG A 99 6.949 8.681 28.998 1.00 18.19 N ATOM 1580 CZ ARG A 99 5.709 8.854 28.538 1.00 18.90 C ATOM 1581 NH1 ARG A 99 5.471 9.006 27.230 1.00 18.11 N ATOM 1582 NH2 ARG A 99 4.712 8.977 29.412 1.00 18.63 N ATOM 1583 HA ARG A 99 11.253 11.673 26.340 1.00 0.00 H ATOM 1584 HB2 ARG A 99 9.859 9.766 26.377 1.00 0.00 H ATOM 1585 HB3 ARG A 99 10.754 9.680 27.912 1.00 0.00 H ATOM 1586 HG2 ARG A 99 8.874 10.506 29.110 1.00 0.00 H ATOM 1587 HG3 ARG A 99 7.978 10.768 27.595 1.00 0.00 H ATOM 1588 HD2 ARG A 99 8.899 8.011 28.621 1.00 0.00 H ATOM 1589 HD3 ARG A 99 7.911 8.312 27.173 1.00 0.00 H ATOM 1590 HE ARG A 99 7.067 8.545 30.022 1.00 0.00 H ATOM 1591 HH12 ARG A 99 4.497 9.140 26.891 1.00 0.00 H ATOM 1592 HH11 ARG A 99 6.260 8.990 26.553 1.00 0.00 H ATOM 1593 HH22 ARG A 99 3.738 9.113 29.074 1.00 0.00 H ATOM 1594 HH21 ARG A 99 4.907 8.937 30.433 1.00 0.00 H ATOM 1595 H ARG A 99 11.077 11.716 29.241 1.00 0.00 H ATOM 1596 N LEU A 100 8.978 12.740 25.496 1.00 9.04 N ATOM 1597 CA LEU A 100 7.836 13.561 25.049 1.00 9.07 C ATOM 1598 C LEU A 100 6.549 12.882 25.550 1.00 10.26 C ATOM 1599 O LEU A 100 6.372 11.658 25.392 1.00 11.20 O ATOM 1600 CB LEU A 100 7.812 13.652 23.525 1.00 8.27 C ATOM 1601 CG LEU A 100 9.177 14.154 22.957 1.00 7.50 C ATOM 1602 CD1 LEU A 100 9.091 14.188 21.431 1.00 8.51 C ATOM 1603 CD2 LEU A 100 9.573 15.518 23.590 1.00 6.80 C ATOM 1604 HA LEU A 100 7.920 14.572 25.447 1.00 0.00 H ATOM 1605 HB2 LEU A 100 7.600 12.665 23.115 1.00 0.00 H ATOM 1606 HB3 LEU A 100 7.027 14.346 23.224 1.00 0.00 H ATOM 1607 HG LEU A 100 9.980 13.468 23.227 1.00 0.00 H ATOM 1608 HD21 LEU A 100 8.805 16.258 23.365 1.00 0.00 H ATOM 1609 HD22 LEU A 100 9.663 15.403 24.670 1.00 0.00 H ATOM 1610 HD23 LEU A 100 10.527 15.845 23.177 1.00 0.00 H ATOM 1611 HD11 LEU A 100 8.880 13.186 21.058 1.00 0.00 H ATOM 1612 HD12 LEU A 100 8.292 14.865 21.128 1.00 0.00 H ATOM 1613 HD13 LEU A 100 10.039 14.537 21.023 1.00 0.00 H ATOM 1614 H LEU A 100 9.540 12.232 24.783 1.00 0.00 H ATOM 1615 N THR A 101 5.660 13.683 26.125 1.00 9.93 N ATOM 1616 CA THR A 101 4.406 13.174 26.663 1.00 10.68 C ATOM 1617 C THR A 101 3.185 13.608 25.810 1.00 12.12 C ATOM 1618 O THR A 101 2.739 12.841 24.920 1.00 13.13 O ATOM 1619 CB THR A 101 4.294 13.565 28.180 1.00 11.09 C ATOM 1620 OG1 THR A 101 4.478 14.992 28.345 1.00 10.55 O ATOM 1621 CG2 THR A 101 5.393 12.869 28.955 1.00 9.71 C ATOM 1622 HA THR A 101 4.403 12.086 26.605 1.00 0.00 H ATOM 1623 HB THR A 101 3.309 13.270 28.542 1.00 0.00 H ATOM 1624 HG1 THR A 101 5.373 15.249 28.009 1.00 0.00 H ATOM 1625 HG23 THR A 101 5.282 11.790 28.850 1.00 0.00 H ATOM 1626 HG21 THR A 101 6.363 13.176 28.563 1.00 0.00 H ATOM 1627 HG22 THR A 101 5.323 13.143 30.008 1.00 0.00 H ATOM 1628 H THR A 101 5.864 14.700 26.193 1.00 0.00 H ATOM 1629 N THR A 102 2.707 14.843 25.964 1.00 12.39 N ATOM 1630 CA THR A 102 1.541 15.282 25.177 1.00 13.42 C ATOM 1631 C THR A 102 1.777 16.656 24.542 1.00 12.61 C ATOM 1632 O THR A 102 2.675 17.414 25.003 1.00 10.25 O ATOM 1633 CB THR A 102 0.221 15.309 26.020 1.00 15.97 C ATOM 1634 OG1 THR A 102 0.367 16.164 27.168 1.00 15.84 O ATOM 1635 CG2 THR A 102 -0.181 13.844 26.468 1.00 16.51 C ATOM 1636 HA THR A 102 1.418 14.542 24.387 1.00 0.00 H ATOM 1637 HB THR A 102 -0.576 15.711 25.394 1.00 0.00 H ATOM 1638 HG1 THR A 102 -0.477 16.167 27.686 1.00 0.00 H ATOM 1639 HG23 THR A 102 -0.287 13.212 25.586 1.00 0.00 H ATOM 1640 HG21 THR A 102 0.595 13.438 27.117 1.00 0.00 H ATOM 1641 HG22 THR A 102 -1.127 13.877 27.008 1.00 0.00 H ATOM 1642 H THR A 102 3.156 15.495 26.638 1.00 0.00 H ATOM 1643 N VAL A 103 1.001 16.985 23.507 1.00 12.30 N ATOM 1644 CA VAL A 103 1.159 18.270 22.818 1.00 13.22 C ATOM 1645 C VAL A 103 0.751 19.471 23.676 1.00 11.56 C ATOM 1646 O VAL A 103 -0.188 19.492 24.480 1.00 10.47 O ATOM 1647 CB VAL A 103 0.391 18.308 21.438 1.00 16.03 C ATOM 1648 CG1 VAL A 103 -1.101 18.228 21.657 1.00 18.92 C ATOM 1649 CG2 VAL A 103 0.704 19.602 20.645 1.00 15.18 C ATOM 1650 HA VAL A 103 2.228 18.354 22.623 1.00 0.00 H ATOM 1651 HB VAL A 103 0.732 17.447 20.862 1.00 0.00 H ATOM 1652 HG11 VAL A 103 -1.342 17.297 22.170 1.00 0.00 H ATOM 1653 HG12 VAL A 103 -1.424 19.074 22.265 1.00 0.00 H ATOM 1654 HG13 VAL A 103 -1.610 18.256 20.694 1.00 0.00 H ATOM 1655 HG21 VAL A 103 0.400 20.469 21.232 1.00 0.00 H ATOM 1656 HG22 VAL A 103 1.774 19.654 20.445 1.00 0.00 H ATOM 1657 HG23 VAL A 103 0.157 19.590 19.702 1.00 0.00 H ATOM 1658 H VAL A 103 0.271 16.318 23.183 1.00 0.00 H ATOM 1659 N CYS A 104 1.527 20.532 23.464 1.00 11.38 N ATOM 1660 CA CYS A 104 1.325 21.772 24.165 1.00 12.41 C ATOM 1661 C CYS A 104 0.011 22.445 23.814 1.00 14.17 C ATOM 1662 O CYS A 104 -0.389 22.435 22.686 1.00 14.00 O ATOM 1663 CB CYS A 104 2.427 22.722 23.808 1.00 11.26 C ATOM 1664 SG CYS A 104 2.536 24.192 24.849 1.00 12.95 S ATOM 1665 HA CYS A 104 1.314 21.532 25.228 1.00 0.00 H ATOM 1666 HB2 CYS A 104 2.273 23.047 22.779 1.00 0.00 H ATOM 1667 HB3 CYS A 104 3.373 22.185 23.881 1.00 0.00 H ATOM 1668 HG CYS A 104 1.357 24.904 24.762 1.00 0.00 H ATOM 1669 H CYS A 104 2.301 20.462 22.772 1.00 0.00 H ATOM 1670 N PRO A 105 -0.705 22.951 24.820 1.00 15.72 N ATOM 1671 CA PRO A 105 -1.980 23.630 24.582 1.00 19.07 C ATOM 1672 C PRO A 105 -1.641 25.008 24.047 1.00 21.85 C ATOM 1673 O PRO A 105 -0.555 25.524 24.340 1.00 21.84 O ATOM 1674 CB PRO A 105 -2.529 23.853 25.996 1.00 18.36 C ATOM 1675 CG PRO A 105 -1.853 22.776 26.824 1.00 20.03 C ATOM 1676 CD PRO A 105 -0.467 22.725 26.251 1.00 16.94 C ATOM 1677 HA PRO A 105 -2.652 23.091 23.914 1.00 0.00 H ATOM 1678 HD3 PRO A 105 0.163 23.507 26.674 1.00 0.00 H ATOM 1679 HD2 PRO A 105 -0.004 21.754 26.425 1.00 0.00 H ATOM 1680 HG3 PRO A 105 -2.360 21.818 26.709 1.00 0.00 H ATOM 1681 HG2 PRO A 105 -1.831 23.049 27.879 1.00 0.00 H ATOM 1682 HB2 PRO A 105 -2.267 24.846 26.362 1.00 0.00 H ATOM 1683 HB3 PRO A 105 -3.612 23.734 26.015 1.00 0.00 H ATOM 1684 N THR A 106 -2.525 25.611 23.265 1.00 24.46 N ATOM 1685 CA THR A 106 -2.268 26.983 22.804 1.00 28.03 C ATOM 1686 C THR A 106 -3.018 27.959 23.732 1.00 29.13 C ATOM 1687 O THR A 106 -2.840 29.177 23.562 1.00 32.87 O ATOM 1688 CB THR A 106 -2.705 27.208 21.346 1.00 29.23 C ATOM 1689 OG1 THR A 106 -4.131 27.361 21.274 1.00 30.48 O ATOM 1690 CG2 THR A 106 -2.252 26.066 20.441 1.00 28.55 C ATOM 1691 HA THR A 106 -1.193 27.158 22.840 1.00 0.00 H ATOM 1692 HB THR A 106 -2.227 28.122 20.993 1.00 0.00 H ATOM 1693 HG1 THR A 106 -4.406 28.140 21.819 1.00 0.00 H ATOM 1694 HG23 THR A 106 -1.169 25.961 20.505 1.00 0.00 H ATOM 1695 HG21 THR A 106 -2.728 25.139 20.762 1.00 0.00 H ATOM 1696 HG22 THR A 106 -2.537 26.285 19.412 1.00 0.00 H ATOM 1697 H THR A 106 -3.394 25.117 22.979 1.00 0.00 H TER 1698 THR A 106 HETATM 1699 O HOH 1 5.101 13.886 32.559 1.00 9.76 O HETATM 1700 O HOH 2 15.924 16.074 33.099 1.00 13.38 O HETATM 1701 O HOH 3 18.920 9.418 20.954 1.00 13.30 O HETATM 1702 O HOH 4 5.345 33.446 17.194 1.00 14.69 O HETATM 1703 O HOH 5 7.004 20.528 32.619 1.00 8.70 O HETATM 1704 O HOH 6 5.293 21.115 35.432 1.00 19.99 O HETATM 1705 O HOH 7 0.431 12.698 16.510 1.00 19.00 O HETATM 1706 O HOH 8 15.376 34.141 19.525 1.00 30.66 O HETATM 1707 O HOH 9 20.689 18.797 16.760 1.00 12.90 O HETATM 1708 O HOH 10 16.705 35.077 16.190 1.00 16.74 O HETATM 1709 O HOH 11 20.673 4.961 17.987 1.00 23.48 O HETATM 1710 O HOH 12 18.492 4.101 19.172 1.00 27.70 O HETATM 1711 O HOH 13 5.713 6.495 20.592 1.00 21.46 O HETATM 1712 O HOH 14 21.619 8.457 20.678 1.00 17.17 O HETATM 1713 O HOH 15 19.431 15.884 29.614 1.00 17.04 O HETATM 1714 O HOH 16 3.920 31.828 30.267 1.00 30.56 O HETATM 1715 O HOH 17 3.687 11.467 22.081 1.00 33.13 O HETATM 1716 O HOH 18 12.755 28.074 30.618 1.00 22.03 O HETATM 1717 O HOH 19 10.545 33.614 27.002 1.00 26.95 O HETATM 1718 O HOH 20 7.258 34.078 27.815 1.00 56.32 O HETATM 1719 O HOH 21 10.249 29.740 14.274 1.00 38.65 O HETATM 1720 O HOH 22 3.896 10.197 24.647 1.00 32.48 O HETATM 1721 O HOH 23 7.454 5.021 14.639 1.00 28.31 O HETATM 1722 O HOH 24 11.505 30.037 10.367 1.00 31.04 O HETATM 1723 O HOH 25 15.326 18.207 34.793 1.00 24.58 O HETATM 1724 O HOH 26 15.531 31.124 25.825 1.00 46.29 O HETATM 1725 O HOH 27 -2.323 14.821 20.926 1.00 32.17 O HETATM 1726 O HOH 28 13.394 26.095 8.910 1.00 40.37 O HETATM 1727 O HOH 29 5.358 35.519 21.879 1.00 25.35 O HETATM 1728 O HOH 30 -0.155 27.024 27.081 1.00 28.93 O HETATM 1729 O HOH 31 0.878 30.015 29.302 1.00 35.52 O HETATM 1730 O HOH 32 11.323 29.720 33.396 1.00 58.51 O HETATM 1731 O HOH 33 2.606 11.571 14.295 1.00 32.18 O HETATM 1732 O HOH 34 -0.074 21.618 12.231 1.00 35.46 O HETATM 1733 O HOH 35 10.227 4.041 7.572 1.00 27.08 O HETATM 1734 O HOH 36 -2.645 22.390 21.143 1.00 15.88 O HETATM 1735 O HOH 37 8.786 8.965 31.715 1.00 22.21 O HETATM 1736 O HOH 38 22.272 20.588 15.029 1.00 21.01 O HETATM 1737 O HOH 39 16.248 26.942 27.195 1.00 24.04 O HETATM 1738 O HOH 40 -2.533 23.507 30.515 1.00 64.76 O HETATM 1739 O HOH 41 23.425 20.068 12.760 1.00 43.38 O HETATM 1740 O HOH 42 -0.599 14.908 22.782 1.00 31.49 O HETATM 1741 O HOH 43 0.808 28.791 34.608 1.00 47.48 O HETATM 1742 O HOH 44 15.781 25.446 30.969 1.00 34.04 O HETATM 1743 O HOH 45 -4.050 16.627 19.985 1.00 27.11 O HETATM 1744 O HOH 46 -2.490 21.092 18.749 1.00 22.49 O HETATM 1745 O HOH 47 28.535 12.707 20.350 1.00 32.90 O HETATM 1746 O HOH 48 5.997 9.965 31.936 1.00 39.30 O HETATM 1747 O HOH 49 5.335 7.919 12.596 1.00 54.46 O HETATM 1748 O HOH 50 30.370 8.414 20.464 1.00 35.41 O HETATM 1749 O HOH 51 8.877 6.762 6.216 1.00 48.61 O HETATM 1750 O HOH 52 26.932 9.886 13.074 1.00 35.23 O HETATM 1751 O HOH 53 1.080 24.284 11.614 1.00 45.49 O HETATM 1752 O HOH 54 11.330 11.087 34.007 1.00 38.71 O HETATM 1753 O HOH 55 3.347 33.421 13.709 1.00 51.02 O HETATM 1754 O HOH 56 0.834 30.781 32.408 1.00 59.17 O HETATM 1755 O HOH 57 2.152 36.778 21.392 1.00 43.24 O HETATM 1756 O HOH 58 2.337 32.929 17.421 1.00 36.62 O HETATM 1757 O HOH 59 8.864 10.115 5.049 1.00 54.90 O HETATM 1758 O HOH 60 -4.582 19.327 19.250 1.00 20.85 O HETATM 1759 O HOH 61 0.764 30.370 18.334 1.00 46.77 O HETATM 1760 O HOH 62 5.101 36.899 24.263 1.00 37.92 O HETATM 1761 O HOH 63 21.870 33.580 15.789 1.00 65.19 O HETATM 1762 O HOH 64 11.142 17.025 41.455 1.00 29.67 O HETATM 1763 O HOH 65 6.809 29.713 7.454 1.00 49.52 O HETATM 1764 O HOH 66 30.345 7.621 15.266 1.00 37.91 O HETATM 1765 O HOH 67 20.792 6.355 13.072 1.00 15.61 O HETATM 1766 O HOH 68 18.752 32.141 25.197 1.00 69.51 O HETATM 1767 O HOH 69 21.705 22.830 29.005 1.00 40.43 O HETATM 1768 O HOH 70 18.491 17.568 27.651 1.00 20.52 O HETATM 1769 O HOH 71 4.266 23.044 36.917 1.00 29.33 O HETATM 1770 O HOH 72 0.237 19.896 28.874 1.00 29.66 O HETATM 1771 O HOH 73 0.733 34.553 28.481 1.00 38.82 O HETATM 1772 O HOH 74 19.946 20.945 20.290 1.00 12.58 O HETATM 1773 O HOH 75 3.370 28.446 10.101 1.00 32.77 O HETATM 1774 O HOH 76 6.532 25.266 8.489 1.00 33.74 O HETATM 1775 O HOH 77 5.808 34.852 10.716 1.00 37.46 O HETATM 1776 O HOH 78 7.917 26.399 38.572 1.00 25.13 O HETATM 1777 O HOH 79 14.911 5.150 12.330 1.00 13.57 O HETATM 1778 O HOH 80 -1.308 29.693 26.866 1.00 59.34 O HETATM 1779 O HOH 81 -2.238 18.936 33.940 1.00 14.26 O HETATM 1780 O HOH 82 14.586 21.209 34.863 1.00 33.43 O HETATM 1781 O HOH 83 13.936 17.500 41.747 1.00 31.81 O HETATM 1782 O HOH 84 17.397 25.230 25.562 1.00 13.23 O HETATM 1783 O HOH 85 18.403 12.141 17.166 1.00 9.61 O HETATM 1784 O HOH 86 8.498 13.833 8.241 1.00 25.42 O HETATM 1785 O HOH 87 8.014 3.100 12.233 1.00 42.17 O HETATM 1786 O HOH 88 18.655 12.934 29.323 1.00 8.68 O HETATM 1787 O HOH 89 0.430 28.006 16.849 1.00 46.45 O HETATM 1788 O HOH 90 5.718 35.977 26.586 1.00 31.60 O HETATM 1789 O HOH 91 18.407 20.628 8.953 1.00 33.36 O HETATM 1790 O HOH 92 14.375 27.985 35.562 1.00 40.36 O HETATM 1791 O HOH 93 12.694 5.806 10.679 1.00 20.51 O HETATM 1792 O HOH 94 -2.529 31.943 23.831 1.00 34.13 O HETATM 1793 O HOH 95 12.459 30.288 29.315 1.00 51.37 O HETATM 1794 O HOH 96 10.050 8.852 35.092 1.00 30.36 O HETATM 1795 O HOH 97 20.529 33.946 13.399 1.00 24.93 O HETATM 1796 O HOH 98 5.415 26.023 38.142 1.00 31.71 O HETATM 1797 O HOH 99 15.600 27.906 31.803 1.00 48.80 O HETATM 1798 O HOH 100 2.480 35.273 9.992 1.00 38.48 O HETATM 1799 O HOH 101 7.042 31.639 34.279 1.00 52.63 O HETATM 1800 O HOH 102 -1.010 23.981 16.000 1.00 36.64 O HETATM 1801 O HOH 103 28.124 6.093 18.199 1.00 60.95 O HETATM 1802 O HOH 104 8.343 29.751 35.815 1.00 69.93 O HETATM 1803 O HOH 105 9.955 33.337 30.101 1.00 49.39 O HETATM 1804 O HOH 106 -3.640 26.487 36.960 1.00 54.31 O HETATM 1805 O HOH 107 19.692 24.018 27.237 1.00 33.94 O HETATM 1806 O HOH 108 9.034 12.667 5.737 1.00 42.33 O HETATM 1807 O HOH 109 5.996 7.780 9.531 1.00 58.43 O HETATM 1808 O HOH 110 12.242 10.536 37.926 1.00 21.79 O HETATM 1809 O HOH 111 8.324 11.535 34.758 1.00 24.76 O HETATM 1810 O HOH 112 9.971 12.075 36.824 1.00 28.88 O HETATM 1811 O HOH 113 10.438 28.523 38.050 1.00 60.82 O HETATM 1812 O HOH 114 6.238 9.824 34.704 1.00 50.94 O HETATM 1813 O HOH 115 12.069 38.563 28.565 1.00 44.16 O HETATM 1814 O HOH 116 9.678 16.740 38.741 1.00 28.40 O HETATM 1815 O HOH 117 15.062 13.886 35.576 1.00 25.64 O HETATM 1816 O HOH 118 17.714 34.033 13.642 1.00 26.88 O HETATM 1817 O HOH 119 31.085 10.269 15.535 1.00 34.28 O HETATM 1818 O HOH 120 16.282 1.916 19.916 1.00 37.67 O HETATM 1819 O HOH 121 16.529 31.511 18.930 1.00 37.57 O HETATM 1820 O HOH 122 14.433 28.748 28.385 1.00 55.41 O HETATM 1821 O HOH 123 0.839 35.702 18.599 1.00 64.53 O HETATM 1822 O HOH 124 14.670 32.978 28.087 1.00 42.82 O HETATM 1823 O HOH 125 -1.682 27.856 34.976 1.00 49.13 O HETATM 1824 O HOH 126 19.401 22.715 32.039 1.00 51.49 O HETATM 1825 O HOH 127 -0.555 24.799 28.903 1.00 41.91 O HETATM 1826 O HOH 128 -0.981 29.061 39.133 1.00 46.60 O HETATM 1827 O HOH 129 22.330 17.528 3.366 1.00 59.84 O HETATM 1828 O HOH 130 22.747 30.442 13.353 1.00 52.30 O HETATM 1829 O HOH 131 24.646 11.654 8.492 1.00 46.91 O HETATM 1830 O HOH 132 8.676 14.161 37.418 1.00 24.64 O HETATM 1831 C1 UNN A 133 19.321 26.305 19.296 1.00 -0.02 C HETATM 1832 C2 UNN A 133 18.507 27.009 18.377 1.00 0.01 C HETATM 1833 C3 UNN A 133 17.172 26.555 18.145 1.00 0.17 C HETATM 1834 C4 UNN A 133 16.639 25.505 18.896 1.00 0.01 C HETATM 1835 C5 UNN A 133 17.451 24.817 19.812 1.00 -0.02 C HETATM 1836 C6 UNN A 133 18.784 25.201 20.000 1.00 -0.00 C HETATM 1837 C11 UNN A 133 19.678 24.475 20.969 1.00 0.04 C HETATM 1838 C12 UNN A 133 19.522 25.073 22.361 1.00 0.15 C HETATM 1839 C13 UNN A 133 20.397 24.323 23.348 1.00 0.21 C HETATM 1840 N14 UNN A 133 19.737 23.312 23.906 1.00 -0.26 N HETATM 1841 C20 UNN A 133 20.380 22.364 24.800 1.00 0.13 C HETATM 1842 C21 UNN A 133 19.271 21.421 25.345 1.00 -0.01 C HETATM 1843 C22 UNN A 133 19.640 20.630 26.618 1.00 -0.05 C HETATM 1844 C23 UNN A 133 20.849 19.702 26.448 1.00 -0.03 C HETATM 1845 C24 UNN A 133 22.114 20.474 26.156 1.00 0.04 C HETATM 1846 N25 UNN A 133 22.260 20.681 24.685 1.00 -0.26 N HETATM 1847 C26 UNN A 133 21.395 21.574 23.940 1.00 0.21 C HETATM 1848 O29 UNN A 133 21.364 21.685 22.681 1.00 -0.39 O HETATM 1849 C27 UNN A 133 23.224 19.803 23.937 1.00 0.07 C HETATM 1850 C28 UNN A 133 22.568 18.491 23.656 1.00 -0.02 C HETATM 1851 C54 UNN A 133 21.328 18.441 22.942 1.00 -0.06 C HETATM 1852 C55 UNN A 133 20.721 17.168 22.664 1.00 -0.06 C HETATM 1853 C56 UNN A 133 21.363 15.989 23.099 1.00 -0.02 C HETATM 1854 C57 UNN A 133 22.533 16.066 23.885 1.00 -0.06 C HETATM 1855 C58 UNN A 133 23.130 17.310 24.151 1.00 -0.06 C HETATM 1856 H27 UNN A 133 24.035 17.355 24.746 1.00 0.06 H HETATM 1857 H26 UNN A 133 22.974 15.160 24.286 1.00 0.06 H HETATM 1858 C63 UNN A 133 20.759 14.696 22.779 1.00 -0.02 C HETATM 1859 C64 UNN A 133 21.537 13.539 22.649 1.00 -0.06 C HETATM 1860 C65 UNN A 133 20.823 12.335 22.390 1.00 -0.06 C HETATM 1861 C66 UNN A 133 19.417 12.268 22.262 1.00 -0.06 C HETATM 1862 C67 UNN A 133 18.655 13.417 22.446 1.00 -0.06 C HETATM 1863 C68 UNN A 133 19.333 14.627 22.691 1.00 -0.06 C HETATM 1864 H32 UNN A 133 18.755 15.536 22.817 1.00 0.06 H HETATM 1865 H31 UNN A 133 17.572 13.382 22.402 1.00 0.06 H HETATM 1866 H30 UNN A 133 18.936 11.327 22.022 1.00 0.06 H HETATM 1867 H29 UNN A 133 21.390 11.417 22.285 1.00 0.06 H HETATM 1868 H28 UNN A 133 22.617 13.559 22.740 1.00 0.06 H HETATM 1869 H25 UNN A 133 19.781 17.114 22.127 1.00 0.06 H HETATM 1870 H24 UNN A 133 20.850 19.357 22.613 1.00 0.06 H HETATM 1871 H22 UNN A 133 24.125 19.642 24.547 1.00 0.07 H HETATM 1872 H23 UNN A 133 23.504 20.286 22.989 1.00 0.07 H HETATM 1873 H20 UNN A 133 22.980 19.909 26.532 1.00 0.05 H HETATM 1874 H21 UNN A 133 22.068 21.452 26.658 1.00 0.05 H HETATM 1875 H18 UNN A 133 20.653 19.012 25.614 1.00 0.03 H HETATM 1876 H19 UNN A 133 20.989 19.127 27.375 1.00 0.03 H HETATM 1877 H16 UNN A 133 18.773 20.019 26.909 1.00 0.03 H HETATM 1878 H17 UNN A 133 19.866 21.349 27.419 1.00 0.03 H HETATM 1879 H14 UNN A 133 19.024 20.696 24.555 1.00 0.03 H HETATM 1880 H15 UNN A 133 18.386 22.034 25.571 1.00 0.03 H HETATM 1881 H13 UNN A 133 20.890 22.877 25.628 1.00 0.08 H HETATM 1882 H8 UNN A 133 18.764 23.200 23.703 1.00 0.19 H HETATM 1883 O19 UNN A 133 21.562 24.687 23.565 1.00 -0.39 O HETATM 1884 N15 UNN A 133 19.976 26.448 22.383 1.00 -0.26 N HETATM 1885 C16 UNN A 133 19.349 27.388 23.108 1.00 0.18 C HETATM 1886 C17 UNN A 133 19.803 28.829 22.729 1.00 0.03 C HETATM 1887 H10 UNN A 133 19.262 29.559 23.349 1.00 0.05 H HETATM 1888 H11 UNN A 133 19.583 29.015 21.667 1.00 0.05 H HETATM 1889 H12 UNN A 133 20.884 28.930 22.903 1.00 0.05 H HETATM 1890 O18 UNN A 133 18.497 27.128 23.947 1.00 -0.40 O HETATM 1891 H9 UNN A 133 20.778 26.704 21.844 1.00 0.19 H HETATM 1892 H7 UNN A 133 18.467 25.017 22.667 1.00 0.08 H HETATM 1893 H5 UNN A 133 20.724 24.573 20.645 1.00 0.06 H HETATM 1894 H6 UNN A 133 19.400 23.411 20.995 1.00 0.06 H HETATM 1895 H4 UNN A 133 17.044 23.985 20.376 1.00 0.07 H HETATM 1896 H3 UNN A 133 15.600 25.222 18.772 1.00 0.07 H HETATM 1897 O30 UNN A 133 16.447 27.224 17.123 1.00 -0.20 O HETATM 1898 P7 UNN A 133 15.975 28.568 17.566 1.00 0.13 P HETATM 1899 O8 UNN A 133 14.764 28.713 16.663 1.00 -0.67 O HETATM 1900 O9 UNN A 133 16.994 29.700 17.324 1.00 -0.67 O HETATM 1901 O10 UNN A 133 15.497 28.628 18.977 1.00 -0.67 O HETATM 1902 H2 UNN A 133 18.890 27.879 17.857 1.00 0.07 H HETATM 1903 H1 UNN A 133 20.349 26.609 19.459 1.00 0.07 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1831 1832 1836 1903 CONECT 1832 1831 1833 1902 CONECT 1833 1832 1834 1897 CONECT 1834 1833 1835 1896 CONECT 1835 1834 1836 1895 CONECT 1836 1831 1835 1837 CONECT 1837 1836 1838 1893 1894 CONECT 1838 1837 1839 1884 1892 CONECT 1839 1838 1840 1883 CONECT 1840 1839 1841 1882 CONECT 1841 1840 1842 1847 1881 CONECT 1842 1841 1843 1879 1880 CONECT 1843 1842 1844 1877 1878 CONECT 1844 1843 1845 1875 1876 CONECT 1845 1844 1846 1873 1874 CONECT 1846 1845 1847 1849 CONECT 1847 1841 1846 1848 CONECT 1848 1847 CONECT 1849 1846 1850 1871 1872 CONECT 1850 1849 1851 1855 CONECT 1851 1850 1852 1870 CONECT 1852 1851 1853 1869 CONECT 1853 1852 1854 1858 CONECT 1854 1853 1855 1857 CONECT 1855 1850 1854 1856 CONECT 1856 1855 CONECT 1857 1854 CONECT 1858 1853 1859 1863 CONECT 1859 1858 1860 1868 CONECT 1860 1859 1861 1867 CONECT 1861 1860 1862 1866 CONECT 1862 1861 1863 1865 CONECT 1863 1858 1862 1864 CONECT 1864 1863 CONECT 1865 1862 CONECT 1866 1861 CONECT 1867 1860 CONECT 1868 1859 CONECT 1869 1852 CONECT 1870 1851 CONECT 1871 1849 CONECT 1872 1849 CONECT 1873 1845 CONECT 1874 1845 CONECT 1875 1844 CONECT 1876 1844 CONECT 1877 1843 CONECT 1878 1843 CONECT 1879 1842 CONECT 1880 1842 CONECT 1881 1841 CONECT 1882 1840 CONECT 1883 1839 CONECT 1884 1838 1885 1891 CONECT 1885 1884 1886 1890 CONECT 1886 1885 1887 1888 1889 CONECT 1887 1886 CONECT 1888 1886 CONECT 1889 1886 CONECT 1890 1885 CONECT 1891 1884 CONECT 1892 1838 CONECT 1893 1837 CONECT 1894 1837 CONECT 1895 1835 CONECT 1896 1834 CONECT 1897 1833 1898 CONECT 1898 1897 1899 1900 1901 CONECT 1899 1898 CONECT 1900 1898 CONECT 1901 1898 CONECT 1902 1832 CONECT 1903 1831 MASTER 0 0 0 0 0 0 0 0 1902 1 77 9 END
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Related entries of code: 1o42
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%
1o43
RCSB PDB
PDBbind
108aa, >1O43_1|Chain... at 100%
1o44
RCSB PDB
PDBbind
108aa, >1O44_1|Chain... at 100%
1o45
RCSB PDB
PDBbind
108aa, >1O45_1|Chain... at 100%
1o46
RCSB PDB
PDBbind
108aa, >1O46_1|Chain... at 100%
1o47
RCSB PDB
PDBbind
108aa, >1O47_1|Chain... at 100%
1o48
RCSB PDB
PDBbind
108aa, >1O48_1|Chain... at 100%
1o49
RCSB PDB
PDBbind
108aa, >1O49_1|Chain... at 100%
1o4a
RCSB PDB
PDBbind
108aa, >1O4A_1|Chain... at 100%
1o4b
RCSB PDB
PDBbind
108aa, >1O4B_1|Chain... at 100%
1o4d
RCSB PDB
PDBbind
108aa, >1O4D_1|Chain... at 100%
1o4e
RCSB PDB
PDBbind
108aa, >1O4E_1|Chain... at 100%
1o4f
RCSB PDB
PDBbind
108aa, >1O4F_1|Chain... at 100%
1o4g
RCSB PDB
PDBbind
108aa, >1O4G_1|Chain... at 100%
1o4h
RCSB PDB
PDBbind
108aa, >1O4H_1|Chain... at 100%
1o4i
RCSB PDB
PDBbind
108aa, >1O4I_1|Chain... at 100%
1o4j
RCSB PDB
PDBbind
108aa, >1O4J_1|Chain... at 100%
1o4k
RCSB PDB
PDBbind
108aa, >1O4K_1|Chain... at 100%
1o4l
RCSB PDB
PDBbind
108aa, >1O4L_1|Chain... at 100%
1o4m
RCSB PDB
PDBbind
108aa, >1O4M_1|Chain... at 100%
1o4n
RCSB PDB
PDBbind
108aa, >1O4N_1|Chain... at 100%
1o4o
RCSB PDB
PDBbind
108aa, >1O4O_1|Chain... at 100%
1o4p
RCSB PDB
PDBbind
108aa, >1O4P_1|Chain... at 100%
1o4q
RCSB PDB
PDBbind
108aa, >1O4Q_1|Chain... at 100%
1o4r
RCSB PDB
PDBbind
108aa, >1O4R_1|Chain... at 100%
1prl
RCSB PDB
PDBbind
64aa, >1PRL_1|Chain... at 96%
1prm
RCSB PDB
PDBbind
64aa, >1PRM_1|Chain... at 96%
1rlp
RCSB PDB
PDBbind
64aa, >1RLP_1|Chain... at 96%
1rlq
RCSB PDB
PDBbind
64aa, >1RLQ_1|Chain... at 96%
1shd
RCSB PDB
PDBbind
107aa, >1SHD_1|Chain... at 99%
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
1o42
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
proto-oncogene tyrosine-protein kinase src
Ligand Name
843
EC.Number
E.C.2.7.1.112
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
IC50=9nM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. v46 pp. 5184-95, 2003
Ligand Properties
Formula
C
3
0
H
3
5
N
3
O
7
P
Molecular Weight
580.589
Exact Mass
580.221
No. of atoms
76
No. of bonds
79
Polar Surface Area
162.02
LOGP Value
2.58 (
Computed with XLOGP3
)
3.85 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC(=O)N[C@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)Cc1ccc(cc1)OP(O)(O)O
InChI String
InChI=1S/C30H36N3O7P/c1-21(34)31-28(19-22-12-16-26(17-13-22)40-41(37,38)39)29(35)32-27-9-5-6-18-33(30(27)36)20-23-10-14-25(15-11-23)24-7-3-2-4-8-24/h2-4,7-8,10-17,27-28,37-39,41H,5-6,9,18-20H2,1H3,(H,31,34)(H,32,35)/t27-,28-/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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