Browse entries in the PDBbind-CN Database
HEADER 1O4A_COMPLEX COMPND 1O4A_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 248 75 ATOM 1 N SER A 1 2.307 13.971 5.981 1.00 51.88 N ATOM 2 CA SER A 1 2.613 15.428 5.854 1.00 51.18 C ATOM 3 C SER A 1 2.722 16.111 7.193 1.00 50.13 C ATOM 4 O SER A 1 1.834 16.036 8.056 1.00 50.51 O ATOM 5 CB SER A 1 1.538 16.156 5.040 1.00 51.88 C ATOM 6 OG SER A 1 1.872 17.528 4.877 1.00 53.45 O ATOM 7 HA SER A 1 3.575 15.482 5.344 1.00 0.00 H ATOM 8 HB2 SER A 1 0.583 16.080 5.560 1.00 0.00 H ATOM 9 HB3 SER A 1 1.455 15.689 4.059 1.00 0.00 H ATOM 10 HG SER A 1 1.165 17.978 4.349 1.00 0.00 H ATOM 11 HN3 SER A 1 1.402 13.850 6.478 1.00 0.00 H ATOM 12 HN2 SER A 1 3.065 13.505 6.519 1.00 0.00 H ATOM 13 HN1 SER A 1 2.242 13.548 5.033 1.00 0.00 H ATOM 14 N ILE A 2 3.813 16.857 7.327 1.00 48.30 N ATOM 15 CA ILE A 2 4.153 17.599 8.539 1.00 45.85 C ATOM 16 C ILE A 2 3.138 18.731 8.934 1.00 44.17 C ATOM 17 O ILE A 2 2.735 18.870 10.083 1.00 43.34 O ATOM 18 CB ILE A 2 5.607 18.131 8.408 1.00 45.69 C ATOM 19 CG1 ILE A 2 6.572 16.956 8.604 1.00 45.91 C ATOM 20 CG2 ILE A 2 5.878 19.265 9.371 1.00 44.48 C ATOM 21 CD1 ILE A 2 7.813 17.008 7.745 1.00 46.56 C ATOM 22 HA ILE A 2 4.081 16.900 9.373 1.00 0.00 H ATOM 23 HB ILE A 2 5.756 18.551 7.413 1.00 0.00 H ATOM 24 HG12 ILE A 2 6.882 16.942 9.649 1.00 0.00 H ATOM 25 HG13 ILE A 2 6.037 16.035 8.373 1.00 0.00 H ATOM 26 HD11 ILE A 2 7.526 17.008 6.694 1.00 0.00 H ATOM 27 HD12 ILE A 2 8.372 17.916 7.971 1.00 0.00 H ATOM 28 HD13 ILE A 2 8.434 16.137 7.953 1.00 0.00 H ATOM 29 HG21 ILE A 2 5.192 20.087 9.165 1.00 0.00 H ATOM 30 HG22 ILE A 2 5.731 18.915 10.393 1.00 0.00 H ATOM 31 HG23 ILE A 2 6.905 19.608 9.247 1.00 0.00 H ATOM 32 H ILE A 2 4.465 16.917 6.519 1.00 0.00 H ATOM 33 N GLN A 3 2.696 19.494 7.948 1.00 42.46 N ATOM 34 CA GLN A 3 1.757 20.580 8.196 1.00 41.38 C ATOM 35 C GLN A 3 0.358 20.031 8.663 1.00 39.65 C ATOM 36 O GLN A 3 -0.507 20.763 9.148 1.00 39.56 O ATOM 37 CB GLN A 3 1.681 21.473 6.941 1.00 43.23 C ATOM 38 CG GLN A 3 2.878 22.383 6.613 1.00 44.53 C ATOM 39 CD GLN A 3 2.646 23.860 6.977 1.00 46.07 C ATOM 40 OE1 GLN A 3 2.207 24.195 8.092 1.00 46.77 O ATOM 41 NE2 GLN A 3 2.970 24.751 6.036 1.00 46.66 N ATOM 42 HA GLN A 3 2.110 21.199 9.021 1.00 0.00 H ATOM 43 HB2 GLN A 3 1.534 20.814 6.085 1.00 0.00 H ATOM 44 HB3 GLN A 3 0.809 22.117 7.056 1.00 0.00 H ATOM 45 HG2 GLN A 3 3.746 22.024 7.166 1.00 0.00 H ATOM 46 HG3 GLN A 3 3.078 22.318 5.543 1.00 0.00 H ATOM 47 HE22 GLN A 3 3.334 24.428 5.117 1.00 0.00 H ATOM 48 HE21 GLN A 3 2.859 25.768 6.222 1.00 0.00 H ATOM 49 H GLN A 3 3.025 19.315 6.978 1.00 0.00 H ATOM 50 N ALA A 4 0.181 18.723 8.501 1.00 37.27 N ATOM 51 CA ALA A 4 -1.059 18.041 8.874 1.00 34.88 C ATOM 52 C ALA A 4 -0.992 17.537 10.327 1.00 31.97 C ATOM 53 O ALA A 4 -2.011 17.292 10.963 1.00 32.38 O ATOM 54 CB ALA A 4 -1.308 16.862 7.923 1.00 34.95 C ATOM 55 HA ALA A 4 -1.882 18.752 8.796 1.00 0.00 H ATOM 56 HB1 ALA A 4 -1.392 17.232 6.901 1.00 0.00 H ATOM 57 HB2 ALA A 4 -0.476 16.161 7.989 1.00 0.00 H ATOM 58 HB3 ALA A 4 -2.232 16.358 8.205 1.00 0.00 H ATOM 59 H ALA A 4 0.955 18.162 8.093 1.00 0.00 H ATOM 60 N GLU A 5 0.223 17.414 10.842 1.00 27.70 N ATOM 61 CA GLU A 5 0.440 16.933 12.185 1.00 24.50 C ATOM 62 C GLU A 5 -0.021 17.946 13.227 1.00 21.57 C ATOM 63 O GLU A 5 0.314 19.129 13.164 1.00 20.61 O ATOM 64 CB GLU A 5 1.918 16.603 12.330 1.00 25.81 C ATOM 65 CG GLU A 5 2.325 15.707 11.159 1.00 27.02 C ATOM 66 CD GLU A 5 1.575 14.380 11.145 1.00 28.87 C ATOM 67 OE1 GLU A 5 1.323 13.880 10.030 1.00 30.62 O ATOM 68 OE2 GLU A 5 1.265 13.821 12.234 1.00 28.06 O ATOM 69 HA GLU A 5 -0.155 16.037 12.359 1.00 0.00 H ATOM 70 HB2 GLU A 5 2.505 17.521 12.314 1.00 0.00 H ATOM 71 HB3 GLU A 5 2.089 16.081 13.271 1.00 0.00 H ATOM 72 HG2 GLU A 5 2.118 16.234 10.228 1.00 0.00 H ATOM 73 HG3 GLU A 5 3.393 15.503 11.230 1.00 0.00 H ATOM 74 H GLU A 5 1.045 17.672 10.260 1.00 0.00 H ATOM 75 N GLU A 6 -0.774 17.483 14.215 1.00 18.26 N ATOM 76 CA GLU A 6 -1.264 18.395 15.250 1.00 17.27 C ATOM 77 C GLU A 6 -0.118 19.047 16.113 1.00 16.74 C ATOM 78 O GLU A 6 -0.334 20.100 16.731 1.00 17.21 O ATOM 79 CB GLU A 6 -2.252 17.734 16.229 1.00 15.38 C ATOM 80 CG GLU A 6 -1.753 16.670 17.168 1.00 14.48 C ATOM 81 CD GLU A 6 -1.552 15.327 16.509 1.00 12.87 C ATOM 82 OE1 GLU A 6 -1.181 14.383 17.213 1.00 14.31 O ATOM 83 OE2 GLU A 6 -1.768 15.193 15.299 1.00 14.59 O ATOM 84 HA GLU A 6 -1.773 19.168 14.674 1.00 0.00 H ATOM 85 HB2 GLU A 6 -2.672 18.530 16.844 1.00 0.00 H ATOM 86 HB3 GLU A 6 -3.043 17.284 15.629 1.00 0.00 H ATOM 87 HG2 GLU A 6 -0.800 16.996 17.583 1.00 0.00 H ATOM 88 HG3 GLU A 6 -2.478 16.554 17.974 1.00 0.00 H ATOM 89 H GLU A 6 -1.016 16.472 14.255 1.00 0.00 H ATOM 90 N TRP A 7 1.044 18.399 16.181 1.00 15.32 N ATOM 91 CA TRP A 7 2.149 18.970 16.956 1.00 14.64 C ATOM 92 C TRP A 7 3.058 19.905 16.097 1.00 15.14 C ATOM 93 O TRP A 7 4.095 20.374 16.596 1.00 14.44 O ATOM 94 CB TRP A 7 3.066 17.892 17.516 1.00 14.86 C ATOM 95 CG TRP A 7 3.186 16.683 16.647 1.00 15.71 C ATOM 96 CD1 TRP A 7 2.486 15.513 16.781 1.00 16.13 C ATOM 97 CD2 TRP A 7 4.054 16.505 15.526 1.00 15.85 C ATOM 98 NE1 TRP A 7 2.881 14.626 15.815 1.00 16.44 N ATOM 99 CE2 TRP A 7 3.840 15.207 15.032 1.00 15.83 C ATOM 100 CE3 TRP A 7 5.005 17.321 14.892 1.00 16.55 C ATOM 101 CZ2 TRP A 7 4.536 14.696 13.931 1.00 17.41 C ATOM 102 CZ3 TRP A 7 5.702 16.808 13.792 1.00 17.28 C ATOM 103 CH2 TRP A 7 5.464 15.513 13.326 1.00 17.16 C ATOM 104 HA TRP A 7 1.665 19.531 17.755 1.00 0.00 H ATOM 105 HB2 TRP A 7 4.060 18.321 17.646 1.00 0.00 H ATOM 106 HB3 TRP A 7 2.677 17.580 18.485 1.00 0.00 H ATOM 107 HE1 TRP A 7 2.510 13.662 15.696 1.00 0.00 H ATOM 108 HD1 TRP A 7 1.730 15.318 17.541 1.00 0.00 H ATOM 109 HZ2 TRP A 7 4.350 13.686 13.565 1.00 0.00 H ATOM 110 HH2 TRP A 7 6.024 15.142 12.467 1.00 0.00 H ATOM 111 HZ3 TRP A 7 6.443 17.430 13.290 1.00 0.00 H ATOM 112 HE3 TRP A 7 5.196 18.333 15.249 1.00 0.00 H ATOM 113 H TRP A 7 1.166 17.492 15.686 1.00 0.00 H ATOM 114 N TYR A 8 2.709 20.113 14.827 1.00 14.01 N ATOM 115 CA TYR A 8 3.515 21.009 14.016 1.00 15.53 C ATOM 116 C TYR A 8 2.921 22.411 14.091 1.00 16.28 C ATOM 117 O TYR A 8 1.863 22.697 13.532 1.00 17.86 O ATOM 118 CB TYR A 8 3.581 20.556 12.553 1.00 16.18 C ATOM 119 CG TYR A 8 4.539 21.393 11.723 1.00 15.52 C ATOM 120 CD1 TYR A 8 5.900 21.409 12.031 1.00 17.37 C ATOM 121 CD2 TYR A 8 4.078 22.218 10.707 1.00 15.62 C ATOM 122 CE1 TYR A 8 6.797 22.242 11.346 1.00 18.31 C ATOM 123 CE2 TYR A 8 4.951 23.061 10.010 1.00 18.52 C ATOM 124 CZ TYR A 8 6.322 23.065 10.338 1.00 19.67 C ATOM 125 OH TYR A 8 7.232 23.868 9.669 1.00 19.60 O ATOM 126 HA TYR A 8 4.532 21.001 14.407 1.00 0.00 H ATOM 127 HB3 TYR A 8 2.584 20.633 12.119 1.00 0.00 H ATOM 128 HB2 TYR A 8 3.910 19.517 12.524 1.00 0.00 H ATOM 129 HD2 TYR A 8 3.019 22.209 10.448 1.00 0.00 H ATOM 130 HE2 TYR A 8 4.574 23.710 9.219 1.00 0.00 H ATOM 131 HE1 TYR A 8 7.856 22.242 11.604 1.00 0.00 H ATOM 132 HD1 TYR A 8 6.275 20.759 12.822 1.00 0.00 H ATOM 133 HH TYR A 8 6.974 24.818 9.777 1.00 0.00 H ATOM 134 H TYR A 8 1.874 19.642 14.424 1.00 0.00 H ATOM 135 N PHE A 9 3.631 23.318 14.746 1.00 15.96 N ATOM 136 CA PHE A 9 3.152 24.682 14.907 1.00 15.99 C ATOM 137 C PHE A 9 3.686 25.619 13.879 1.00 16.39 C ATOM 138 O PHE A 9 3.500 26.826 14.012 1.00 17.66 O ATOM 139 CB PHE A 9 3.477 25.192 16.314 1.00 15.33 C ATOM 140 CG PHE A 9 2.588 24.609 17.401 1.00 16.01 C ATOM 141 CD1 PHE A 9 2.153 23.296 17.343 1.00 15.80 C ATOM 142 CD2 PHE A 9 2.201 25.372 18.486 1.00 16.58 C ATOM 143 CE1 PHE A 9 1.346 22.766 18.358 1.00 16.29 C ATOM 144 CE2 PHE A 9 1.398 24.848 19.501 1.00 17.81 C ATOM 145 CZ PHE A 9 0.973 23.546 19.432 1.00 17.00 C ATOM 146 HA PHE A 9 2.072 24.653 14.765 1.00 0.00 H ATOM 147 HB2 PHE A 9 4.512 24.935 16.542 1.00 0.00 H ATOM 148 HB3 PHE A 9 3.363 26.276 16.321 1.00 0.00 H ATOM 149 HD2 PHE A 9 2.531 26.409 18.551 1.00 0.00 H ATOM 150 HE2 PHE A 9 1.110 25.473 20.346 1.00 0.00 H ATOM 151 HZ PHE A 9 0.345 23.131 20.220 1.00 0.00 H ATOM 152 HE1 PHE A 9 1.011 21.731 18.298 1.00 0.00 H ATOM 153 HD1 PHE A 9 2.441 22.669 16.500 1.00 0.00 H ATOM 154 H PHE A 9 4.549 23.049 15.153 1.00 0.00 H ATOM 155 N GLY A 10 4.422 25.104 12.905 1.00 16.18 N ATOM 156 CA GLY A 10 4.942 25.965 11.855 1.00 17.61 C ATOM 157 C GLY A 10 5.884 27.111 12.212 1.00 17.34 C ATOM 158 O GLY A 10 6.856 26.955 12.948 1.00 16.37 O ATOM 159 HA3 GLY A 10 4.081 26.408 11.354 1.00 0.00 H ATOM 160 HA2 GLY A 10 5.477 25.323 11.155 1.00 0.00 H ATOM 161 H GLY A 10 4.628 24.085 12.892 1.00 0.00 H ATOM 162 N LYS A 11 5.588 28.281 11.676 1.00 18.50 N ATOM 163 CA LYS A 11 6.436 29.431 11.904 1.00 21.84 C ATOM 164 C LYS A 11 6.135 30.254 13.152 1.00 21.81 C ATOM 165 O LYS A 11 5.586 31.351 13.062 1.00 23.69 O ATOM 166 CB LYS A 11 6.474 30.328 10.647 1.00 23.25 C ATOM 167 CG LYS A 11 7.816 31.043 10.759 1.00 26.22 C ATOM 168 CD LYS A 11 8.464 31.920 9.695 1.00 29.70 C ATOM 169 CE LYS A 11 7.570 33.148 9.578 1.00 31.33 C ATOM 170 NZ LYS A 11 8.116 34.167 8.642 1.00 33.05 N ATOM 171 HA LYS A 11 7.421 29.008 12.102 1.00 0.00 H ATOM 172 HB2 LYS A 11 6.427 29.728 9.738 1.00 0.00 H ATOM 173 HB3 LYS A 11 5.650 31.042 10.653 1.00 0.00 H ATOM 174 HG2 LYS A 11 7.725 31.682 11.637 1.00 0.00 H ATOM 175 HG3 LYS A 11 8.542 30.255 10.958 1.00 0.00 H ATOM 176 HD2 LYS A 11 9.470 32.209 10.000 1.00 0.00 H ATOM 177 HD3 LYS A 11 8.512 31.391 8.743 1.00 0.00 H ATOM 178 HE2 LYS A 11 7.466 33.600 10.565 1.00 0.00 H ATOM 179 HE3 LYS A 11 6.590 32.834 9.219 1.00 0.00 H ATOM 180 HZ1 LYS A 11 9.048 34.481 8.979 1.00 0.00 H ATOM 181 HZ2 LYS A 11 8.211 33.750 7.694 1.00 0.00 H ATOM 182 HZ3 LYS A 11 7.469 34.980 8.601 1.00 0.00 H ATOM 183 H LYS A 11 4.738 28.377 11.085 1.00 0.00 H ATOM 184 N ILE A 12 6.474 29.709 14.313 1.00 22.01 N ATOM 185 CA ILE A 12 6.297 30.422 15.567 1.00 19.20 C ATOM 186 C ILE A 12 7.702 30.574 16.162 1.00 18.63 C ATOM 187 O ILE A 12 8.625 29.800 15.935 1.00 18.00 O ATOM 188 CB ILE A 12 5.326 29.710 16.544 1.00 19.75 C ATOM 189 CG1 ILE A 12 5.859 28.347 16.999 1.00 18.08 C ATOM 190 CG2 ILE A 12 3.950 29.525 15.894 1.00 21.08 C ATOM 191 CD1 ILE A 12 5.132 27.869 18.232 1.00 16.24 C ATOM 192 HA ILE A 12 5.828 31.390 15.390 1.00 0.00 H ATOM 193 HB ILE A 12 5.237 30.349 17.423 1.00 0.00 H ATOM 194 HG12 ILE A 12 5.717 27.622 16.197 1.00 0.00 H ATOM 195 HG13 ILE A 12 6.922 28.436 17.223 1.00 0.00 H ATOM 196 HD11 ILE A 12 5.275 28.589 19.038 1.00 0.00 H ATOM 197 HD12 ILE A 12 4.069 27.774 18.012 1.00 0.00 H ATOM 198 HD13 ILE A 12 5.529 26.900 18.534 1.00 0.00 H ATOM 199 HG21 ILE A 12 3.539 30.500 15.633 1.00 0.00 H ATOM 200 HG22 ILE A 12 4.053 28.920 14.993 1.00 0.00 H ATOM 201 HG23 ILE A 12 3.283 29.024 16.595 1.00 0.00 H ATOM 202 H ILE A 12 6.876 28.750 14.326 1.00 0.00 H ATOM 203 N THR A 13 7.877 31.634 16.921 1.00 17.57 N ATOM 204 CA THR A 13 9.167 31.932 17.520 1.00 16.10 C ATOM 205 C THR A 13 9.485 31.144 18.779 1.00 15.68 C ATOM 206 O THR A 13 8.632 30.520 19.419 1.00 14.68 O ATOM 207 CB THR A 13 9.280 33.472 17.878 1.00 17.17 C ATOM 208 OG1 THR A 13 8.327 33.831 18.899 1.00 16.81 O ATOM 209 CG2 THR A 13 9.014 34.322 16.641 1.00 17.35 C ATOM 210 HA THR A 13 9.888 31.638 16.757 1.00 0.00 H ATOM 211 HB THR A 13 10.290 33.656 18.245 1.00 0.00 H ATOM 212 HG1 THR A 13 7.411 33.645 18.574 1.00 0.00 H ATOM 213 HG23 THR A 13 9.729 34.060 15.861 1.00 0.00 H ATOM 214 HG21 THR A 13 8.001 34.136 16.285 1.00 0.00 H ATOM 215 HG22 THR A 13 9.123 35.376 16.896 1.00 0.00 H ATOM 216 H THR A 13 7.075 32.272 17.096 1.00 0.00 H ATOM 217 N ARG A 14 10.744 31.259 19.171 1.00 14.82 N ATOM 218 CA ARG A 14 11.259 30.652 20.365 1.00 16.74 C ATOM 219 C ARG A 14 10.480 31.210 21.564 1.00 16.68 C ATOM 220 O ARG A 14 10.029 30.426 22.406 1.00 15.58 O ATOM 221 CB ARG A 14 12.747 30.990 20.512 1.00 18.73 C ATOM 222 CG ARG A 14 13.383 30.687 21.843 1.00 23.08 C ATOM 223 CD ARG A 14 14.863 30.925 21.664 1.00 28.14 C ATOM 224 NE ARG A 14 15.642 29.767 22.116 1.00 34.74 N ATOM 225 CZ ARG A 14 16.025 29.550 23.380 1.00 37.84 C ATOM 226 NH1 ARG A 14 15.708 30.425 24.344 1.00 38.67 N ATOM 227 NH2 ARG A 14 16.690 28.437 23.698 1.00 38.88 N ATOM 228 HA ARG A 14 11.147 29.569 20.317 1.00 0.00 H ATOM 229 HB2 ARG A 14 13.290 30.429 19.751 1.00 0.00 H ATOM 230 HB3 ARG A 14 12.863 32.058 20.326 1.00 0.00 H ATOM 231 HG2 ARG A 14 12.984 31.348 22.613 1.00 0.00 H ATOM 232 HG3 ARG A 14 13.198 29.650 22.124 1.00 0.00 H ATOM 233 HD2 ARG A 14 15.156 31.800 22.244 1.00 0.00 H ATOM 234 HD3 ARG A 14 15.070 31.104 20.609 1.00 0.00 H ATOM 235 HE ARG A 14 15.917 29.063 21.402 1.00 0.00 H ATOM 236 HH12 ARG A 14 16.009 30.250 25.324 1.00 0.00 H ATOM 237 HH11 ARG A 14 15.161 31.279 24.112 1.00 0.00 H ATOM 238 HH22 ARG A 14 16.986 28.271 24.681 1.00 0.00 H ATOM 239 HH21 ARG A 14 16.912 27.736 22.963 1.00 0.00 H ATOM 240 H ARG A 14 11.394 31.819 18.583 1.00 0.00 H ATOM 241 N ARG A 15 10.327 32.543 21.640 1.00 16.06 N ATOM 242 CA ARG A 15 9.603 33.167 22.746 1.00 14.44 C ATOM 243 C ARG A 15 8.101 32.676 22.797 1.00 13.97 C ATOM 244 O ARG A 15 7.544 32.411 23.862 1.00 12.92 O ATOM 245 CB ARG A 15 9.646 34.679 22.616 1.00 15.58 C ATOM 246 CG ARG A 15 8.882 35.310 23.790 1.00 16.58 C ATOM 247 CD ARG A 15 8.947 36.839 23.751 1.00 17.53 C ATOM 248 NE ARG A 15 8.221 37.484 24.846 1.00 18.67 N ATOM 249 CZ ARG A 15 8.691 37.640 26.074 1.00 18.54 C ATOM 250 NH1 ARG A 15 9.902 37.202 26.379 1.00 19.31 N ATOM 251 NH2 ARG A 15 7.939 38.216 27.005 1.00 20.24 N ATOM 252 HA ARG A 15 10.092 32.871 23.674 1.00 0.00 H ATOM 253 HB2 ARG A 15 10.682 35.017 22.631 1.00 0.00 H ATOM 254 HB3 ARG A 15 9.182 34.978 21.676 1.00 0.00 H ATOM 255 HG2 ARG A 15 7.838 34.999 23.741 1.00 0.00 H ATOM 256 HG3 ARG A 15 9.320 34.961 24.725 1.00 0.00 H ATOM 257 HD2 ARG A 15 8.520 37.178 22.807 1.00 0.00 H ATOM 258 HD3 ARG A 15 9.993 37.141 23.805 1.00 0.00 H ATOM 259 HE ARG A 15 7.267 37.846 24.645 1.00 0.00 H ATOM 260 HH12 ARG A 15 10.272 37.324 27.343 1.00 0.00 H ATOM 261 HH11 ARG A 15 10.484 36.736 25.654 1.00 0.00 H ATOM 262 HH22 ARG A 15 8.308 38.338 27.969 1.00 0.00 H ATOM 263 HH21 ARG A 15 6.981 38.545 26.770 1.00 0.00 H ATOM 264 H ARG A 15 10.733 33.144 20.895 1.00 0.00 H ATOM 265 N GLU A 16 7.476 32.601 21.628 1.00 13.38 N ATOM 266 CA GLU A 16 6.115 32.121 21.544 1.00 14.04 C ATOM 267 C GLU A 16 6.051 30.703 22.013 1.00 12.72 C ATOM 268 O GLU A 16 5.214 30.396 22.857 1.00 12.81 O ATOM 269 CB GLU A 16 5.574 32.272 20.120 1.00 16.71 C ATOM 270 CG GLU A 16 4.202 31.724 19.808 1.00 18.47 C ATOM 271 CD GLU A 16 3.098 32.270 20.714 1.00 21.13 C ATOM 272 OE1 GLU A 16 1.967 31.751 20.577 1.00 24.66 O ATOM 273 OE2 GLU A 16 3.319 33.192 21.542 1.00 20.33 O ATOM 274 HA GLU A 16 5.480 32.724 22.194 1.00 0.00 H ATOM 275 HB2 GLU A 16 5.554 33.338 19.895 1.00 0.00 H ATOM 276 HB3 GLU A 16 6.279 31.775 19.454 1.00 0.00 H ATOM 277 HG2 GLU A 16 3.957 31.977 18.777 1.00 0.00 H ATOM 278 HG3 GLU A 16 4.232 30.640 19.917 1.00 0.00 H ATOM 279 H GLU A 16 7.972 32.891 20.761 1.00 0.00 H ATOM 280 N SER A 17 6.960 29.855 21.538 1.00 11.91 N ATOM 281 CA SER A 17 6.955 28.460 21.958 1.00 12.00 C ATOM 282 C SER A 17 7.086 28.355 23.484 1.00 11.39 C ATOM 283 O SER A 17 6.402 27.515 24.097 1.00 11.11 O ATOM 284 CB SER A 17 7.980 27.653 21.155 1.00 12.82 C ATOM 285 OG SER A 17 9.290 27.825 21.661 1.00 15.26 O ATOM 286 HA SER A 17 5.994 28.000 21.728 1.00 0.00 H ATOM 287 HB2 SER A 17 7.955 27.983 20.116 1.00 0.00 H ATOM 288 HB3 SER A 17 7.717 26.596 21.205 1.00 0.00 H ATOM 289 HG SER A 17 9.538 28.782 21.613 1.00 0.00 H ATOM 290 H SER A 17 7.677 30.190 20.864 1.00 0.00 H ATOM 291 N GLU A 18 7.952 29.184 24.087 1.00 10.73 N ATOM 292 CA GLU A 18 8.130 29.192 25.538 1.00 11.97 C ATOM 293 C GLU A 18 6.850 29.691 26.236 1.00 13.11 C ATOM 294 O GLU A 18 6.433 29.151 27.242 1.00 13.23 O ATOM 295 CB GLU A 18 9.320 30.045 25.962 1.00 13.24 C ATOM 296 CG GLU A 18 10.569 29.363 25.391 1.00 15.00 C ATOM 297 CD GLU A 18 11.845 30.154 25.620 1.00 18.87 C ATOM 298 OE1 GLU A 18 12.955 29.634 25.394 1.00 16.64 O ATOM 299 OE2 GLU A 18 11.751 31.332 26.002 1.00 22.25 O ATOM 300 HA GLU A 18 8.331 28.165 25.844 1.00 0.00 H ATOM 301 HB2 GLU A 18 9.224 31.053 25.559 1.00 0.00 H ATOM 302 HB3 GLU A 18 9.381 30.094 27.049 1.00 0.00 H ATOM 303 HG2 GLU A 18 10.677 28.387 25.864 1.00 0.00 H ATOM 304 HG3 GLU A 18 10.431 29.232 24.318 1.00 0.00 H ATOM 305 H GLU A 18 8.512 29.839 23.506 1.00 0.00 H ATOM 306 N ARG A 19 6.194 30.687 25.653 1.00 13.97 N ATOM 307 CA ARG A 19 4.971 31.208 26.242 1.00 16.10 C ATOM 308 C ARG A 19 3.911 30.084 26.326 1.00 16.02 C ATOM 309 O ARG A 19 3.232 29.942 27.349 1.00 17.30 O ATOM 310 CB ARG A 19 4.425 32.346 25.380 1.00 18.12 C ATOM 311 CG ARG A 19 3.309 33.071 26.149 1.00 21.72 C ATOM 312 CD ARG A 19 2.629 34.039 25.189 1.00 24.28 C ATOM 313 NE ARG A 19 1.968 33.356 24.070 1.00 26.25 N ATOM 314 CZ ARG A 19 0.734 32.854 24.113 1.00 25.94 C ATOM 315 NH1 ARG A 19 0.015 32.952 25.234 1.00 26.58 N ATOM 316 NH2 ARG A 19 0.214 32.280 23.034 1.00 24.65 N ATOM 317 HA ARG A 19 5.191 31.580 27.243 1.00 0.00 H ATOM 318 HB2 ARG A 19 5.227 33.048 25.152 1.00 0.00 H ATOM 319 HB3 ARG A 19 4.024 31.940 24.451 1.00 0.00 H ATOM 320 HG2 ARG A 19 2.584 32.347 26.520 1.00 0.00 H ATOM 321 HG3 ARG A 19 3.734 33.620 26.989 1.00 0.00 H ATOM 322 HD2 ARG A 19 3.381 34.719 24.788 1.00 0.00 H ATOM 323 HD3 ARG A 19 1.882 34.610 25.740 1.00 0.00 H ATOM 324 HE ARG A 19 2.500 33.257 23.182 1.00 0.00 H ATOM 325 HH12 ARG A 19 -0.948 32.561 25.270 1.00 0.00 H ATOM 326 HH11 ARG A 19 0.418 33.419 26.071 1.00 0.00 H ATOM 327 HH22 ARG A 19 -0.749 31.888 23.066 1.00 0.00 H ATOM 328 HH21 ARG A 19 0.770 32.223 22.157 1.00 0.00 H ATOM 329 H ARG A 19 6.557 31.097 24.769 1.00 0.00 H ATOM 330 N LEU A 20 3.781 29.304 25.252 1.00 16.13 N ATOM 331 CA LEU A 20 2.817 28.201 25.193 1.00 15.55 C ATOM 332 C LEU A 20 3.180 27.022 26.126 1.00 16.05 C ATOM 333 O LEU A 20 2.313 26.414 26.771 1.00 17.64 O ATOM 334 CB LEU A 20 2.739 27.631 23.778 1.00 15.56 C ATOM 335 CG LEU A 20 2.251 28.582 22.685 1.00 14.83 C ATOM 336 CD1 LEU A 20 2.394 27.945 21.318 1.00 16.90 C ATOM 337 CD2 LEU A 20 0.830 28.934 22.960 1.00 17.09 C ATOM 338 HA LEU A 20 1.868 28.633 25.512 1.00 0.00 H ATOM 339 HB2 LEU A 20 3.738 27.293 23.501 1.00 0.00 H ATOM 340 HB3 LEU A 20 2.061 26.778 23.801 1.00 0.00 H ATOM 341 HG LEU A 20 2.858 29.487 22.688 1.00 0.00 H ATOM 342 HD21 LEU A 20 0.226 28.027 22.960 1.00 0.00 H ATOM 343 HD22 LEU A 20 0.759 29.419 23.933 1.00 0.00 H ATOM 344 HD23 LEU A 20 0.469 29.613 22.187 1.00 0.00 H ATOM 345 HD11 LEU A 20 3.442 27.708 21.137 1.00 0.00 H ATOM 346 HD12 LEU A 20 1.802 27.031 21.281 1.00 0.00 H ATOM 347 HD13 LEU A 20 2.041 28.640 20.556 1.00 0.00 H ATOM 348 H LEU A 20 4.386 29.485 24.426 1.00 0.00 H ATOM 349 N LEU A 21 4.468 26.702 26.198 1.00 14.38 N ATOM 350 CA LEU A 21 4.942 25.577 26.998 1.00 13.43 C ATOM 351 C LEU A 21 5.045 25.857 28.481 1.00 14.50 C ATOM 352 O LEU A 21 4.968 24.921 29.284 1.00 14.77 O ATOM 353 CB LEU A 21 6.253 25.043 26.395 1.00 12.34 C ATOM 354 CG LEU A 21 6.177 24.362 25.029 1.00 12.16 C ATOM 355 CD1 LEU A 21 7.555 24.198 24.389 1.00 12.04 C ATOM 356 CD2 LEU A 21 5.479 23.009 25.190 1.00 13.16 C ATOM 357 HA LEU A 21 4.181 24.799 26.946 1.00 0.00 H ATOM 358 HB2 LEU A 21 6.937 25.887 26.302 1.00 0.00 H ATOM 359 HB3 LEU A 21 6.665 24.319 27.098 1.00 0.00 H ATOM 360 HG LEU A 21 5.601 24.996 24.355 1.00 0.00 H ATOM 361 HD21 LEU A 21 6.048 22.388 25.882 1.00 0.00 H ATOM 362 HD22 LEU A 21 4.474 23.164 25.582 1.00 0.00 H ATOM 363 HD23 LEU A 21 5.420 22.515 24.220 1.00 0.00 H ATOM 364 HD11 LEU A 21 8.011 25.179 24.254 1.00 0.00 H ATOM 365 HD12 LEU A 21 8.185 23.589 25.037 1.00 0.00 H ATOM 366 HD13 LEU A 21 7.449 23.709 23.420 1.00 0.00 H ATOM 367 H LEU A 21 5.159 27.271 25.668 1.00 0.00 H ATOM 368 N LEU A 22 5.227 27.117 28.867 1.00 15.44 N ATOM 369 CA LEU A 22 5.323 27.450 30.282 1.00 16.98 C ATOM 370 C LEU A 22 3.978 27.663 30.901 1.00 17.81 C ATOM 371 O LEU A 22 3.644 28.721 31.431 1.00 20.30 O ATOM 372 CB LEU A 22 6.217 28.669 30.511 1.00 16.73 C ATOM 373 CG LEU A 22 7.698 28.504 30.179 1.00 16.82 C ATOM 374 CD1 LEU A 22 8.366 29.888 30.114 1.00 16.66 C ATOM 375 CD2 LEU A 22 8.363 27.605 31.219 1.00 17.80 C ATOM 376 HA LEU A 22 5.782 26.592 30.774 1.00 0.00 H ATOM 377 HB2 LEU A 22 5.829 29.483 29.899 1.00 0.00 H ATOM 378 HB3 LEU A 22 6.142 28.941 31.564 1.00 0.00 H ATOM 379 HG LEU A 22 7.812 28.027 29.205 1.00 0.00 H ATOM 380 HD21 LEU A 22 8.262 28.057 32.206 1.00 0.00 H ATOM 381 HD22 LEU A 22 7.880 26.628 31.214 1.00 0.00 H ATOM 382 HD23 LEU A 22 9.420 27.491 30.977 1.00 0.00 H ATOM 383 HD11 LEU A 22 7.884 30.487 29.341 1.00 0.00 H ATOM 384 HD12 LEU A 22 8.262 30.386 31.078 1.00 0.00 H ATOM 385 HD13 LEU A 22 9.423 29.769 29.877 1.00 0.00 H ATOM 386 H LEU A 22 5.301 27.870 28.153 1.00 0.00 H ATOM 387 N ASN A 23 3.151 26.643 30.800 1.00 19.07 N ATOM 388 CA ASN A 23 1.818 26.671 31.394 1.00 18.30 C ATOM 389 C ASN A 23 1.860 25.634 32.471 1.00 17.36 C ATOM 390 O ASN A 23 2.229 24.507 32.183 1.00 16.50 O ATOM 391 CB ASN A 23 0.763 26.395 30.327 1.00 20.39 C ATOM 392 CG ASN A 23 -0.647 26.408 30.900 1.00 22.60 C ATOM 393 OD1 ASN A 23 -0.899 25.843 31.968 1.00 21.71 O ATOM 394 ND2 ASN A 23 -1.558 27.108 30.223 1.00 23.11 N ATOM 395 HA ASN A 23 1.547 27.640 31.813 1.00 0.00 H ATOM 396 HB2 ASN A 23 0.836 27.160 29.554 1.00 0.00 H ATOM 397 HB3 ASN A 23 0.955 25.416 29.887 1.00 0.00 H ATOM 398 HD22 ASN A 23 -1.300 27.567 29.326 1.00 0.00 H ATOM 399 HD21 ASN A 23 -2.527 27.194 30.592 1.00 0.00 H ATOM 400 H ASN A 23 3.456 25.794 30.283 1.00 0.00 H ATOM 401 N ALA A 24 1.562 26.019 33.710 1.00 17.02 N ATOM 402 CA ALA A 24 1.609 25.120 34.861 1.00 17.55 C ATOM 403 C ALA A 24 0.898 23.883 34.704 1.00 17.76 C ATOM 404 O ALA A 24 1.126 22.958 35.475 1.00 18.51 O ATOM 405 CB ALA A 24 1.109 25.824 36.122 1.00 17.88 C ATOM 406 HA ALA A 24 2.663 24.856 34.950 1.00 0.00 H ATOM 407 HB1 ALA A 24 1.738 26.690 36.327 1.00 0.00 H ATOM 408 HB2 ALA A 24 0.079 26.149 35.971 1.00 0.00 H ATOM 409 HB3 ALA A 24 1.154 25.133 36.964 1.00 0.00 H ATOM 410 H ALA A 24 1.282 27.008 33.866 1.00 0.00 H ATOM 411 N GLU A 25 -0.026 23.826 33.760 1.00 18.31 N ATOM 412 CA GLU A 25 -0.791 22.610 33.562 1.00 18.53 C ATOM 413 C GLU A 25 -0.077 21.634 32.715 1.00 17.54 C ATOM 414 O GLU A 25 -0.474 20.469 32.644 1.00 17.72 O ATOM 415 CB GLU A 25 -2.113 22.903 32.869 1.00 20.39 C ATOM 416 CG GLU A 25 -2.962 23.663 33.871 1.00 24.12 C ATOM 417 CD GLU A 25 -4.341 24.008 33.323 1.00 27.06 C ATOM 418 OE1 GLU A 25 -5.147 24.592 34.079 1.00 29.51 O ATOM 419 OE2 GLU A 25 -4.615 23.725 32.139 1.00 28.84 O ATOM 420 HA GLU A 25 -0.949 22.197 34.558 1.00 0.00 H ATOM 421 HB2 GLU A 25 -1.946 23.509 31.979 1.00 0.00 H ATOM 422 HB3 GLU A 25 -2.605 21.973 32.586 1.00 0.00 H ATOM 423 HG2 GLU A 25 -3.084 23.049 34.764 1.00 0.00 H ATOM 424 HG3 GLU A 25 -2.449 24.588 34.135 1.00 0.00 H ATOM 425 H GLU A 25 -0.205 24.655 33.158 1.00 0.00 H ATOM 426 N ASN A 26 1.005 22.058 32.083 1.00 15.83 N ATOM 427 CA ASN A 26 1.735 21.147 31.187 1.00 15.08 C ATOM 428 C ASN A 26 2.687 20.150 31.931 1.00 14.29 C ATOM 429 O ASN A 26 3.615 20.588 32.643 1.00 13.52 O ATOM 430 CB ASN A 26 2.636 21.924 30.200 1.00 13.24 C ATOM 431 CG ASN A 26 1.840 22.680 29.138 1.00 14.53 C ATOM 432 OD1 ASN A 26 0.684 22.326 28.825 1.00 14.60 O ATOM 433 ND2 ASN A 26 2.460 23.704 28.552 1.00 14.02 N ATOM 434 HA ASN A 26 0.944 20.594 30.680 1.00 0.00 H ATOM 435 HB2 ASN A 26 3.233 22.641 30.764 1.00 0.00 H ATOM 436 HB3 ASN A 26 3.297 21.216 29.701 1.00 0.00 H ATOM 437 HD22 ASN A 26 3.424 23.965 28.844 1.00 0.00 H ATOM 438 HD21 ASN A 26 1.980 24.242 27.803 1.00 0.00 H ATOM 439 H ASN A 26 1.339 23.033 32.219 1.00 0.00 H ATOM 440 N PRO A 27 2.421 18.828 31.818 1.00 13.37 N ATOM 441 CA PRO A 27 3.334 17.899 32.495 1.00 13.23 C ATOM 442 C PRO A 27 4.650 17.853 31.666 1.00 12.66 C ATOM 443 O PRO A 27 4.672 18.346 30.517 1.00 11.39 O ATOM 444 CB PRO A 27 2.562 16.568 32.502 1.00 13.67 C ATOM 445 CG PRO A 27 1.564 16.695 31.436 1.00 15.34 C ATOM 446 CD PRO A 27 1.199 18.156 31.343 1.00 14.29 C ATOM 447 HA PRO A 27 3.620 18.168 33.512 1.00 0.00 H ATOM 448 HD3 PRO A 27 0.969 18.439 30.316 1.00 0.00 H ATOM 449 HD2 PRO A 27 0.348 18.390 31.982 1.00 0.00 H ATOM 450 HG3 PRO A 27 0.681 16.103 31.677 1.00 0.00 H ATOM 451 HG2 PRO A 27 1.982 16.352 30.489 1.00 0.00 H ATOM 452 HB2 PRO A 27 3.235 15.735 32.299 1.00 0.00 H ATOM 453 HB3 PRO A 27 2.075 16.413 33.465 1.00 0.00 H ATOM 454 N ARG A 28 5.702 17.248 32.219 1.00 11.51 N ATOM 455 CA ARG A 28 6.970 17.165 31.512 1.00 11.45 C ATOM 456 C ARG A 28 6.775 16.481 30.183 1.00 10.53 C ATOM 457 O ARG A 28 5.944 15.549 30.082 1.00 10.84 O ATOM 458 CB ARG A 28 7.970 16.345 32.327 1.00 12.47 C ATOM 459 CG ARG A 28 8.058 16.979 33.691 1.00 15.62 C ATOM 460 CD ARG A 28 8.947 16.158 34.595 1.00 19.44 C ATOM 461 NE ARG A 28 10.338 16.194 34.123 1.00 24.49 N ATOM 462 CZ ARG A 28 11.262 15.261 34.382 1.00 26.30 C ATOM 463 NH1 ARG A 28 10.932 14.185 35.111 1.00 26.98 N ATOM 464 NH2 ARG A 28 12.525 15.432 33.969 1.00 24.79 N ATOM 465 HA ARG A 28 7.346 18.177 31.363 1.00 0.00 H ATOM 466 HB2 ARG A 28 7.625 15.315 32.415 1.00 0.00 H ATOM 467 HB3 ARG A 28 8.947 16.360 31.844 1.00 0.00 H ATOM 468 HG2 ARG A 28 8.471 17.983 33.595 1.00 0.00 H ATOM 469 HG3 ARG A 28 7.060 17.038 34.125 1.00 0.00 H ATOM 470 HD2 ARG A 28 8.597 15.126 34.601 1.00 0.00 H ATOM 471 HD3 ARG A 28 8.901 16.562 35.606 1.00 0.00 H ATOM 472 HE ARG A 28 10.627 17.007 33.543 1.00 0.00 H ATOM 473 HH12 ARG A 28 11.646 13.457 35.316 1.00 0.00 H ATOM 474 HH11 ARG A 28 9.962 14.079 35.472 1.00 0.00 H ATOM 475 HH22 ARG A 28 13.241 14.706 34.171 1.00 0.00 H ATOM 476 HH21 ARG A 28 12.789 16.291 33.446 1.00 0.00 H ATOM 477 H ARG A 28 5.614 16.830 33.167 1.00 0.00 H ATOM 478 N GLY A 29 7.514 16.888 29.157 1.00 8.26 N ATOM 479 CA GLY A 29 7.347 16.232 27.871 1.00 8.76 C ATOM 480 C GLY A 29 6.314 16.867 26.954 1.00 9.58 C ATOM 481 O GLY A 29 6.150 16.419 25.835 1.00 10.81 O ATOM 482 HA3 GLY A 29 7.048 15.200 28.054 1.00 0.00 H ATOM 483 HA2 GLY A 29 8.308 16.245 27.357 1.00 0.00 H ATOM 484 H GLY A 29 8.199 17.662 29.272 1.00 0.00 H ATOM 485 N THR A 30 5.620 17.918 27.403 1.00 9.67 N ATOM 486 CA THR A 30 4.666 18.585 26.527 1.00 9.49 C ATOM 487 C THR A 30 5.532 19.192 25.406 1.00 9.64 C ATOM 488 O THR A 30 6.619 19.694 25.661 1.00 8.69 O ATOM 489 CB THR A 30 3.845 19.613 27.277 1.00 10.50 C ATOM 490 OG1 THR A 30 3.101 18.946 28.315 1.00 11.25 O ATOM 491 CG2 THR A 30 2.867 20.282 26.333 1.00 11.21 C ATOM 492 HA THR A 30 3.919 17.904 26.118 1.00 0.00 H ATOM 493 HB THR A 30 4.510 20.364 27.704 1.00 0.00 H ATOM 494 HG1 THR A 30 3.730 18.500 28.936 1.00 0.00 H ATOM 495 HG23 THR A 30 3.418 20.791 25.542 1.00 0.00 H ATOM 496 HG21 THR A 30 2.213 19.528 25.895 1.00 0.00 H ATOM 497 HG22 THR A 30 2.269 21.007 26.885 1.00 0.00 H ATOM 498 H THR A 30 5.761 18.259 28.375 1.00 0.00 H ATOM 499 N PHE A 31 5.070 19.126 24.166 1.00 8.58 N ATOM 500 CA PHE A 31 5.936 19.568 23.089 1.00 8.55 C ATOM 501 C PHE A 31 5.257 20.043 21.892 1.00 9.77 C ATOM 502 O PHE A 31 4.045 19.912 21.726 1.00 9.54 O ATOM 503 CB PHE A 31 6.827 18.371 22.642 1.00 9.46 C ATOM 504 CG PHE A 31 6.068 17.301 21.845 1.00 9.28 C ATOM 505 CD1 PHE A 31 6.152 17.266 20.454 1.00 10.60 C ATOM 506 CD2 PHE A 31 5.191 16.409 22.483 1.00 11.53 C ATOM 507 CE1 PHE A 31 5.361 16.363 19.686 1.00 10.35 C ATOM 508 CE2 PHE A 31 4.393 15.502 21.731 1.00 9.94 C ATOM 509 CZ PHE A 31 4.480 15.486 20.343 1.00 10.79 C ATOM 510 HA PHE A 31 6.490 20.410 23.503 1.00 0.00 H ATOM 511 HB2 PHE A 31 7.634 18.756 22.019 1.00 0.00 H ATOM 512 HB3 PHE A 31 7.248 17.904 23.532 1.00 0.00 H ATOM 513 HD2 PHE A 31 5.120 16.411 23.571 1.00 0.00 H ATOM 514 HE2 PHE A 31 3.714 14.820 22.243 1.00 0.00 H ATOM 515 HZ PHE A 31 3.866 14.795 19.765 1.00 0.00 H ATOM 516 HE1 PHE A 31 5.438 16.352 18.599 1.00 0.00 H ATOM 517 HD1 PHE A 31 6.837 17.943 19.943 1.00 0.00 H ATOM 518 H PHE A 31 4.114 18.767 23.970 1.00 0.00 H ATOM 519 N LEU A 32 6.058 20.589 20.979 1.00 9.37 N ATOM 520 CA LEU A 32 5.586 21.077 19.688 1.00 9.24 C ATOM 521 C LEU A 32 6.807 21.095 18.755 1.00 9.14 C ATOM 522 O LEU A 32 7.943 21.051 19.227 1.00 8.93 O ATOM 523 CB LEU A 32 5.019 22.494 19.820 1.00 9.24 C ATOM 524 CG LEU A 32 5.936 23.608 20.370 1.00 10.15 C ATOM 525 CD1 LEU A 32 6.682 24.318 19.248 1.00 10.45 C ATOM 526 CD2 LEU A 32 5.126 24.597 21.141 1.00 10.81 C ATOM 527 HA LEU A 32 4.792 20.438 19.302 1.00 0.00 H ATOM 528 HB2 LEU A 32 4.695 22.805 18.827 1.00 0.00 H ATOM 529 HB3 LEU A 32 4.154 22.434 20.480 1.00 0.00 H ATOM 530 HG LEU A 32 6.672 23.144 21.026 1.00 0.00 H ATOM 531 HD21 LEU A 32 4.375 25.039 20.486 1.00 0.00 H ATOM 532 HD22 LEU A 32 4.634 24.092 21.972 1.00 0.00 H ATOM 533 HD23 LEU A 32 5.780 25.379 21.526 1.00 0.00 H ATOM 534 HD11 LEU A 32 7.297 23.597 18.709 1.00 0.00 H ATOM 535 HD12 LEU A 32 5.963 24.768 18.563 1.00 0.00 H ATOM 536 HD13 LEU A 32 7.318 25.096 19.671 1.00 0.00 H ATOM 537 H LEU A 32 7.071 20.672 21.198 1.00 0.00 H ATOM 538 N VAL A 33 6.566 21.136 17.453 1.00 9.54 N ATOM 539 CA VAL A 33 7.641 21.206 16.472 1.00 9.38 C ATOM 540 C VAL A 33 7.379 22.443 15.696 1.00 10.94 C ATOM 541 O VAL A 33 6.230 22.757 15.388 1.00 12.15 O ATOM 542 CB VAL A 33 7.688 19.939 15.546 1.00 8.88 C ATOM 543 CG1 VAL A 33 8.779 20.082 14.514 1.00 7.09 C ATOM 544 CG2 VAL A 33 7.899 18.660 16.412 1.00 10.01 C ATOM 545 HA VAL A 33 8.617 21.229 16.957 1.00 0.00 H ATOM 546 HB VAL A 33 6.739 19.846 15.018 1.00 0.00 H ATOM 547 HG11 VAL A 33 8.585 20.963 13.902 1.00 0.00 H ATOM 548 HG12 VAL A 33 9.740 20.191 15.016 1.00 0.00 H ATOM 549 HG13 VAL A 33 8.797 19.195 13.881 1.00 0.00 H ATOM 550 HG21 VAL A 33 8.839 18.743 16.958 1.00 0.00 H ATOM 551 HG22 VAL A 33 7.075 18.561 17.118 1.00 0.00 H ATOM 552 HG23 VAL A 33 7.931 17.785 15.763 1.00 0.00 H ATOM 553 H VAL A 33 5.580 21.118 17.121 1.00 0.00 H ATOM 554 N ARG A 34 8.427 23.226 15.451 1.00 11.38 N ATOM 555 CA ARG A 34 8.315 24.478 14.717 1.00 11.42 C ATOM 556 C ARG A 34 9.490 24.605 13.775 1.00 12.15 C ATOM 557 O ARG A 34 10.418 23.790 13.780 1.00 11.84 O ATOM 558 CB ARG A 34 8.268 25.634 15.717 1.00 11.35 C ATOM 559 CG ARG A 34 9.433 25.647 16.696 1.00 11.50 C ATOM 560 CD ARG A 34 9.370 26.773 17.713 1.00 10.99 C ATOM 561 NE ARG A 34 10.504 26.767 18.649 1.00 11.54 N ATOM 562 CZ ARG A 34 11.648 27.446 18.471 1.00 12.95 C ATOM 563 NH1 ARG A 34 12.605 27.387 19.397 1.00 14.05 N ATOM 564 NH2 ARG A 34 11.853 28.158 17.370 1.00 12.75 N ATOM 565 HA ARG A 34 7.401 24.500 14.123 1.00 0.00 H ATOM 566 HB2 ARG A 34 8.276 26.571 15.160 1.00 0.00 H ATOM 567 HB3 ARG A 34 7.341 25.559 16.286 1.00 0.00 H ATOM 568 HG2 ARG A 34 9.441 24.699 17.233 1.00 0.00 H ATOM 569 HG3 ARG A 34 10.358 25.749 16.128 1.00 0.00 H ATOM 570 HD2 ARG A 34 8.447 26.674 18.285 1.00 0.00 H ATOM 571 HD3 ARG A 34 9.365 27.723 17.179 1.00 0.00 H ATOM 572 HE ARG A 34 10.413 26.195 19.512 1.00 0.00 H ATOM 573 HH12 ARG A 34 13.492 27.912 19.262 1.00 0.00 H ATOM 574 HH11 ARG A 34 12.464 26.816 20.255 1.00 0.00 H ATOM 575 HH22 ARG A 34 12.745 28.679 17.246 1.00 0.00 H ATOM 576 HH21 ARG A 34 11.122 28.195 16.631 1.00 0.00 H ATOM 577 H ARG A 34 9.362 22.932 15.797 1.00 0.00 H ATOM 578 N GLU A 35 9.449 25.603 12.905 1.00 12.89 N ATOM 579 CA GLU A 35 10.563 25.813 11.997 1.00 15.13 C ATOM 580 C GLU A 35 11.771 26.347 12.816 1.00 15.87 C ATOM 581 O GLU A 35 11.582 26.995 13.834 1.00 16.45 O ATOM 582 CB GLU A 35 10.319 26.968 11.023 1.00 15.64 C ATOM 583 CG GLU A 35 9.341 26.660 9.904 1.00 17.97 C ATOM 584 CD GLU A 35 9.061 27.864 8.981 1.00 19.97 C ATOM 585 OE1 GLU A 35 8.093 27.768 8.199 1.00 21.21 O ATOM 586 OE2 GLU A 35 9.774 28.903 9.040 1.00 20.34 O ATOM 587 HA GLU A 35 10.712 24.863 11.483 1.00 0.00 H ATOM 588 HB2 GLU A 35 9.931 27.814 11.590 1.00 0.00 H ATOM 589 HB3 GLU A 35 11.274 27.241 10.574 1.00 0.00 H ATOM 590 HG2 GLU A 35 9.751 25.850 9.300 1.00 0.00 H ATOM 591 HG3 GLU A 35 8.399 26.339 10.348 1.00 0.00 H ATOM 592 H GLU A 35 8.623 26.234 12.872 1.00 0.00 H ATOM 593 N SER A 36 12.981 25.994 12.390 1.00 19.07 N ATOM 594 CA SER A 36 14.216 26.463 13.004 1.00 21.70 C ATOM 595 C SER A 36 14.186 27.993 12.701 1.00 24.10 C ATOM 596 O SER A 36 13.718 28.369 11.619 1.00 22.88 O ATOM 597 CB SER A 36 15.397 25.796 12.278 1.00 22.22 C ATOM 598 OG SER A 36 16.615 26.517 12.414 1.00 25.91 O ATOM 599 HA SER A 36 14.313 26.243 14.067 1.00 0.00 H ATOM 600 HB2 SER A 36 15.155 25.720 11.218 1.00 0.00 H ATOM 601 HB3 SER A 36 15.538 24.796 12.689 1.00 0.00 H ATOM 602 HG SER A 36 16.852 26.585 13.373 1.00 0.00 H ATOM 603 H SER A 36 13.049 25.350 11.576 1.00 0.00 H ATOM 604 N GLU A 37 14.545 28.848 13.654 1.00 27.51 N ATOM 605 CA GLU A 37 14.547 30.286 13.372 1.00 30.98 C ATOM 606 C GLU A 37 15.858 30.682 12.369 1.00 32.86 C ATOM 607 O GLU A 37 15.803 31.591 11.515 1.00 32.10 O ATOM 608 CB GLU A 37 14.543 31.099 14.688 1.00 32.19 C ATOM 609 CG GLU A 37 13.412 31.233 15.746 1.00 34.78 C ATOM 610 CD GLU A 37 13.679 32.334 16.813 1.00 37.00 C ATOM 611 OE1 GLU A 37 14.861 32.683 17.031 1.00 39.31 O ATOM 612 OE2 GLU A 37 12.719 32.864 17.447 1.00 37.47 O ATOM 613 HA GLU A 37 13.636 30.550 12.835 1.00 0.00 H ATOM 614 HB2 GLU A 37 15.396 30.715 15.248 1.00 0.00 H ATOM 615 HB3 GLU A 37 14.747 32.123 14.376 1.00 0.00 H ATOM 616 HG2 GLU A 37 12.483 31.473 15.228 1.00 0.00 H ATOM 617 HG3 GLU A 37 13.304 30.277 16.258 1.00 0.00 H ATOM 618 H GLU A 37 14.823 28.498 14.593 1.00 0.00 H ATOM 619 N THR A 38 16.919 29.874 12.481 1.00 34.58 N ATOM 620 CA THR A 38 18.168 30.092 11.745 1.00 36.42 C ATOM 621 C THR A 38 18.624 29.144 10.644 1.00 36.31 C ATOM 622 O THR A 38 19.562 29.531 9.932 1.00 36.61 O ATOM 623 CB THR A 38 19.357 30.255 12.727 1.00 37.79 C ATOM 624 OG1 THR A 38 18.968 29.851 14.051 1.00 39.01 O ATOM 625 CG2 THR A 38 19.843 31.714 12.736 1.00 39.32 C ATOM 626 HA THR A 38 17.880 30.986 11.192 1.00 0.00 H ATOM 627 HB THR A 38 20.175 29.617 12.394 1.00 0.00 H ATOM 628 HG1 THR A 38 18.688 28.902 14.036 1.00 0.00 H ATOM 629 HG23 THR A 38 20.134 32.005 11.727 1.00 0.00 H ATOM 630 HG21 THR A 38 19.038 32.361 13.085 1.00 0.00 H ATOM 631 HG22 THR A 38 20.700 31.806 13.403 1.00 0.00 H ATOM 632 H THR A 38 16.855 29.055 13.119 1.00 0.00 H ATOM 633 N THR A 39 18.116 27.918 10.548 1.00 35.59 N ATOM 634 CA THR A 39 18.568 27.042 9.461 1.00 34.59 C ATOM 635 C THR A 39 17.507 26.779 8.599 1.00 34.27 C ATOM 636 O THR A 39 16.481 26.228 9.008 1.00 33.92 O ATOM 637 CB THR A 39 19.101 25.663 9.909 1.00 34.15 C ATOM 638 OG1 THR A 39 20.173 25.813 10.833 1.00 33.97 O ATOM 639 CG2 THR A 39 19.578 24.876 8.720 1.00 33.33 C ATOM 640 HA THR A 39 19.388 27.590 8.996 1.00 0.00 H ATOM 641 HB THR A 39 18.284 25.129 10.395 1.00 0.00 H ATOM 642 HG1 THR A 39 20.499 24.919 11.107 1.00 0.00 H ATOM 643 HG23 THR A 39 18.759 24.760 8.011 1.00 0.00 H ATOM 644 HG21 THR A 39 20.402 25.406 8.242 1.00 0.00 H ATOM 645 HG22 THR A 39 19.918 23.894 9.049 1.00 0.00 H ATOM 646 H THR A 39 17.408 27.585 11.234 1.00 0.00 H ATOM 647 N LYS A 40 17.684 27.164 7.346 1.00 34.22 N ATOM 648 CA LYS A 40 16.678 26.921 6.329 1.00 34.43 C ATOM 649 C LYS A 40 16.637 25.424 6.229 1.00 33.05 C ATOM 650 O LYS A 40 17.672 24.752 6.373 1.00 33.51 O ATOM 651 CB LYS A 40 17.063 27.572 4.991 1.00 35.99 C ATOM 652 CG LYS A 40 18.474 27.193 4.514 1.00 39.12 C ATOM 653 CD LYS A 40 19.627 27.869 5.275 1.00 41.13 C ATOM 654 CE LYS A 40 20.763 27.041 5.886 1.00 42.83 C ATOM 655 NZ LYS A 40 21.236 27.603 7.213 1.00 43.71 N ATOM 656 HA LYS A 40 15.708 27.351 6.579 1.00 0.00 H ATOM 657 HB2 LYS A 40 16.345 27.257 4.234 1.00 0.00 H ATOM 658 HB3 LYS A 40 17.016 28.655 5.107 1.00 0.00 H ATOM 659 HG2 LYS A 40 18.587 26.114 4.619 1.00 0.00 H ATOM 660 HG3 LYS A 40 18.559 27.465 3.462 1.00 0.00 H ATOM 661 HD2 LYS A 40 20.092 28.566 4.578 1.00 0.00 H ATOM 662 HD3 LYS A 40 19.173 28.425 6.095 1.00 0.00 H ATOM 663 HE2 LYS A 40 21.602 27.030 5.191 1.00 0.00 H ATOM 664 HE3 LYS A 40 20.409 26.022 6.043 1.00 0.00 H ATOM 665 HZ1 LYS A 40 21.583 28.573 7.073 1.00 0.00 H ATOM 666 HZ2 LYS A 40 20.444 27.611 7.887 1.00 0.00 H ATOM 667 HZ3 LYS A 40 22.004 27.009 7.586 1.00 0.00 H ATOM 668 H LYS A 40 18.564 27.652 7.084 1.00 0.00 H ATOM 669 N GLY A 41 15.434 24.879 6.095 1.00 31.20 N ATOM 670 CA GLY A 41 15.303 23.440 5.994 1.00 29.72 C ATOM 671 C GLY A 41 15.222 22.683 7.310 1.00 27.94 C ATOM 672 O GLY A 41 14.698 21.575 7.301 1.00 28.95 O ATOM 673 HA3 GLY A 41 16.167 23.064 5.446 1.00 0.00 H ATOM 674 HA2 GLY A 41 14.395 23.226 5.430 1.00 0.00 H ATOM 675 H GLY A 41 14.588 25.483 6.063 1.00 0.00 H ATOM 676 N ALA A 42 15.725 23.238 8.418 1.00 25.59 N ATOM 677 CA ALA A 42 15.669 22.546 9.707 1.00 22.90 C ATOM 678 C ALA A 42 14.470 22.957 10.558 1.00 21.30 C ATOM 679 O ALA A 42 13.776 23.923 10.244 1.00 20.81 O ATOM 680 CB ALA A 42 16.943 22.737 10.466 1.00 22.69 C ATOM 681 HA ALA A 42 15.541 21.487 9.482 1.00 0.00 H ATOM 682 HB1 ALA A 42 17.774 22.335 9.886 1.00 0.00 H ATOM 683 HB2 ALA A 42 17.103 23.801 10.643 1.00 0.00 H ATOM 684 HB3 ALA A 42 16.878 22.214 11.420 1.00 0.00 H ATOM 685 H ALA A 42 16.164 24.179 8.363 1.00 0.00 H ATOM 686 N TYR A 43 14.239 22.219 11.644 1.00 19.06 N ATOM 687 CA TYR A 43 13.116 22.461 12.562 1.00 16.43 C ATOM 688 C TYR A 43 13.587 22.419 13.955 1.00 15.46 C ATOM 689 O TYR A 43 14.762 22.159 14.216 1.00 13.61 O ATOM 690 CB TYR A 43 12.094 21.318 12.471 1.00 16.79 C ATOM 691 CG TYR A 43 11.505 21.155 11.113 1.00 16.34 C ATOM 692 CD1 TYR A 43 12.027 20.240 10.216 1.00 18.67 C ATOM 693 CD2 TYR A 43 10.432 21.931 10.715 1.00 18.98 C ATOM 694 CE1 TYR A 43 11.491 20.103 8.940 1.00 20.88 C ATOM 695 CE2 TYR A 43 9.882 21.809 9.457 1.00 20.95 C ATOM 696 CZ TYR A 43 10.415 20.899 8.572 1.00 21.71 C ATOM 697 OH TYR A 43 9.888 20.814 7.300 1.00 25.33 O ATOM 698 HA TYR A 43 12.686 23.425 12.291 1.00 0.00 H ATOM 699 HB3 TYR A 43 11.287 21.519 13.176 1.00 0.00 H ATOM 700 HB2 TYR A 43 12.591 20.388 12.746 1.00 0.00 H ATOM 701 HD2 TYR A 43 10.011 22.656 11.412 1.00 0.00 H ATOM 702 HE2 TYR A 43 9.033 22.427 9.166 1.00 0.00 H ATOM 703 HE1 TYR A 43 11.910 19.381 8.239 1.00 0.00 H ATOM 704 HD1 TYR A 43 12.871 19.617 10.514 1.00 0.00 H ATOM 705 HH TYR A 43 10.374 20.120 6.788 1.00 0.00 H ATOM 706 H TYR A 43 14.886 21.432 11.853 1.00 0.00 H ATOM 707 N CYS A 44 12.688 22.681 14.891 1.00 13.44 N ATOM 708 CA CYS A 44 13.035 22.622 16.291 1.00 13.88 C ATOM 709 C CYS A 44 11.976 22.005 17.052 1.00 11.99 C ATOM 710 O CYS A 44 10.815 22.215 16.767 1.00 12.34 O ATOM 711 CB CYS A 44 13.331 24.016 16.834 1.00 15.95 C ATOM 712 SG CYS A 44 15.008 24.590 16.387 1.00 19.04 S ATOM 713 HA CYS A 44 13.934 22.014 16.390 1.00 0.00 H ATOM 714 HB2 CYS A 44 13.245 23.995 17.920 1.00 0.00 H ATOM 715 HB3 CYS A 44 12.600 24.714 16.426 1.00 0.00 H ATOM 716 HG CYS A 44 15.214 25.852 16.905 1.00 0.00 H ATOM 717 H CYS A 44 11.718 22.933 14.614 1.00 0.00 H ATOM 718 N LEU A 45 12.353 21.194 18.021 1.00 10.54 N ATOM 719 CA LEU A 45 11.422 20.510 18.900 1.00 10.18 C ATOM 720 C LEU A 45 11.515 21.219 20.240 1.00 9.86 C ATOM 721 O LEU A 45 12.572 21.201 20.861 1.00 10.12 O ATOM 722 CB LEU A 45 11.871 19.062 19.048 1.00 11.04 C ATOM 723 CG LEU A 45 11.233 18.139 20.088 1.00 11.61 C ATOM 724 CD1 LEU A 45 9.778 17.899 19.748 1.00 11.55 C ATOM 725 CD2 LEU A 45 12.023 16.810 20.117 1.00 11.92 C ATOM 726 HA LEU A 45 10.401 20.523 18.517 1.00 0.00 H ATOM 727 HB2 LEU A 45 11.716 18.589 18.078 1.00 0.00 H ATOM 728 HB3 LEU A 45 12.937 19.090 19.271 1.00 0.00 H ATOM 729 HG LEU A 45 11.270 18.601 21.075 1.00 0.00 H ATOM 730 HD21 LEU A 45 11.984 16.344 19.132 1.00 0.00 H ATOM 731 HD22 LEU A 45 13.060 17.011 20.385 1.00 0.00 H ATOM 732 HD23 LEU A 45 11.579 16.141 20.855 1.00 0.00 H ATOM 733 HD11 LEU A 45 9.246 18.851 19.740 1.00 0.00 H ATOM 734 HD12 LEU A 45 9.708 17.433 18.765 1.00 0.00 H ATOM 735 HD13 LEU A 45 9.335 17.241 20.496 1.00 0.00 H ATOM 736 H LEU A 45 13.371 21.036 18.163 1.00 0.00 H ATOM 737 N SER A 46 10.442 21.844 20.696 1.00 9.42 N ATOM 738 CA SER A 46 10.456 22.548 21.970 1.00 9.30 C ATOM 739 C SER A 46 9.706 21.672 22.942 1.00 10.10 C ATOM 740 O SER A 46 8.583 21.248 22.654 1.00 9.88 O ATOM 741 CB SER A 46 9.881 23.953 21.780 1.00 9.90 C ATOM 742 OG SER A 46 10.642 24.640 20.801 1.00 7.02 O ATOM 743 HA SER A 46 11.456 22.713 22.372 1.00 0.00 H ATOM 744 HB2 SER A 46 9.926 24.496 22.724 1.00 0.00 H ATOM 745 HB3 SER A 46 8.844 23.881 21.452 1.00 0.00 H ATOM 746 HG SER A 46 11.583 24.704 21.101 1.00 0.00 H ATOM 747 H SER A 46 9.569 21.832 20.131 1.00 0.00 H ATOM 748 N VAL A 47 10.307 21.414 24.096 1.00 9.37 N ATOM 749 CA VAL A 47 9.742 20.484 25.080 1.00 9.67 C ATOM 750 C VAL A 47 9.724 21.076 26.466 1.00 10.68 C ATOM 751 O VAL A 47 10.742 21.680 26.889 1.00 10.12 O ATOM 752 CB VAL A 47 10.648 19.206 25.115 1.00 9.23 C ATOM 753 CG1 VAL A 47 9.951 18.057 25.906 1.00 10.84 C ATOM 754 CG2 VAL A 47 11.011 18.790 23.722 1.00 8.93 C ATOM 755 HA VAL A 47 8.717 20.257 24.788 1.00 0.00 H ATOM 756 HB VAL A 47 11.573 19.441 25.641 1.00 0.00 H ATOM 757 HG11 VAL A 47 9.763 18.384 26.929 1.00 0.00 H ATOM 758 HG12 VAL A 47 9.006 17.806 25.423 1.00 0.00 H ATOM 759 HG13 VAL A 47 10.599 17.180 25.917 1.00 0.00 H ATOM 760 HG21 VAL A 47 10.102 18.569 23.162 1.00 0.00 H ATOM 761 HG22 VAL A 47 11.553 19.599 23.232 1.00 0.00 H ATOM 762 HG23 VAL A 47 11.640 17.901 23.762 1.00 0.00 H ATOM 763 H VAL A 47 11.208 21.887 24.310 1.00 0.00 H ATOM 764 N SER A 48 8.617 20.891 27.193 1.00 10.42 N ATOM 765 CA SER A 48 8.528 21.395 28.552 1.00 11.27 C ATOM 766 C SER A 48 9.226 20.351 29.534 1.00 13.27 C ATOM 767 O SER A 48 9.269 19.139 29.282 1.00 11.64 O ATOM 768 CB SER A 48 7.068 21.658 28.954 1.00 11.18 C ATOM 769 OG SER A 48 6.355 20.465 29.233 1.00 11.00 O ATOM 770 HA SER A 48 9.047 22.351 28.619 1.00 0.00 H ATOM 771 HB2 SER A 48 6.569 22.180 28.137 1.00 0.00 H ATOM 772 HB3 SER A 48 7.059 22.287 29.844 1.00 0.00 H ATOM 773 HG SER A 48 6.795 19.986 29.980 1.00 0.00 H ATOM 774 H SER A 48 7.810 20.380 26.780 1.00 0.00 H ATOM 775 N ASP A 49 9.847 20.888 30.575 1.00 14.25 N ATOM 776 CA ASP A 49 10.484 20.075 31.583 1.00 15.61 C ATOM 777 C ASP A 49 10.116 20.654 32.875 1.00 16.61 C ATOM 778 O ASP A 49 9.562 21.753 32.915 1.00 16.72 O ATOM 779 CB ASP A 49 11.995 20.109 31.444 1.00 17.15 C ATOM 780 CG ASP A 49 12.691 18.995 32.256 1.00 19.73 C ATOM 781 OD1 ASP A 49 12.036 18.006 32.696 1.00 17.53 O ATOM 782 OD2 ASP A 49 13.931 19.072 32.388 1.00 20.81 O ATOM 783 HA ASP A 49 10.164 19.038 31.485 1.00 0.00 H ATOM 784 HB2 ASP A 49 12.252 19.987 30.392 1.00 0.00 H ATOM 785 HB3 ASP A 49 12.357 21.075 31.795 1.00 0.00 H ATOM 786 H ASP A 49 9.876 21.923 30.668 1.00 0.00 H ATOM 787 N PHE A 50 10.378 19.917 33.957 1.00 17.42 N ATOM 788 CA PHE A 50 10.084 20.367 35.321 1.00 17.98 C ATOM 789 C PHE A 50 10.958 19.639 36.336 1.00 18.57 C ATOM 790 O PHE A 50 11.030 18.397 36.308 1.00 18.68 O ATOM 791 CB PHE A 50 8.636 20.044 35.751 1.00 16.90 C ATOM 792 CG PHE A 50 8.273 20.579 37.123 1.00 16.07 C ATOM 793 CD1 PHE A 50 8.579 19.848 38.275 1.00 16.48 C ATOM 794 CD2 PHE A 50 7.712 21.857 37.260 1.00 15.72 C ATOM 795 CE1 PHE A 50 8.341 20.384 39.533 1.00 14.97 C ATOM 796 CE2 PHE A 50 7.469 22.409 38.501 1.00 14.68 C ATOM 797 CZ PHE A 50 7.787 21.674 39.643 1.00 16.79 C ATOM 798 HA PHE A 50 10.261 21.442 35.306 1.00 0.00 H ATOM 799 HB2 PHE A 50 7.955 20.480 35.020 1.00 0.00 H ATOM 800 HB3 PHE A 50 8.513 18.961 35.760 1.00 0.00 H ATOM 801 HD2 PHE A 50 7.462 22.427 36.365 1.00 0.00 H ATOM 802 HE2 PHE A 50 7.035 23.405 38.588 1.00 0.00 H ATOM 803 HZ PHE A 50 7.605 22.102 40.629 1.00 0.00 H ATOM 804 HE1 PHE A 50 8.581 19.811 40.429 1.00 0.00 H ATOM 805 HD1 PHE A 50 9.008 18.850 38.184 1.00 0.00 H ATOM 806 H PHE A 50 10.811 18.980 33.826 1.00 0.00 H ATOM 807 N ASP A 51 11.655 20.408 37.171 1.00 19.17 N ATOM 808 CA ASP A 51 12.462 19.850 38.249 1.00 19.72 C ATOM 809 C ASP A 51 12.470 20.753 39.339 1.00 20.61 C ATOM 810 O ASP A 51 12.026 21.904 39.212 1.00 20.87 O ATOM 811 CB ASP A 51 13.775 19.219 37.765 1.00 21.36 C ATOM 812 CG ASP A 51 14.765 20.206 37.220 1.00 22.82 C ATOM 813 OD1 ASP A 51 15.578 19.779 36.391 1.00 23.05 O ATOM 814 OD2 ASP A 51 14.792 21.367 37.650 1.00 24.82 O ATOM 815 HA ASP A 51 12.009 18.952 38.669 1.00 0.00 H ATOM 816 HB2 ASP A 51 14.236 18.700 38.605 1.00 0.00 H ATOM 817 HB3 ASP A 51 13.541 18.500 36.980 1.00 0.00 H ATOM 818 H ASP A 51 11.622 21.440 37.050 1.00 0.00 H ATOM 819 N ASN A 52 12.924 20.260 40.488 1.00 21.97 N ATOM 820 CA ASN A 52 12.949 21.057 41.710 1.00 24.14 C ATOM 821 C ASN A 52 13.934 22.200 41.586 1.00 25.58 C ATOM 822 O ASN A 52 13.604 23.334 41.981 1.00 27.92 O ATOM 823 CB ASN A 52 13.167 20.145 42.929 1.00 24.86 C ATOM 824 CG ASN A 52 11.927 19.308 43.271 1.00 25.81 C ATOM 825 OD1 ASN A 52 10.825 19.533 42.737 1.00 26.69 O ATOM 826 ND2 ASN A 52 12.104 18.337 44.160 1.00 24.59 N ATOM 827 HA ASN A 52 11.983 21.536 41.868 1.00 0.00 H ATOM 828 HB2 ASN A 52 13.996 19.470 42.716 1.00 0.00 H ATOM 829 HB3 ASN A 52 13.417 20.766 43.789 1.00 0.00 H ATOM 830 HD22 ASN A 52 13.042 18.183 44.582 1.00 0.00 H ATOM 831 HD21 ASN A 52 11.305 17.731 44.434 1.00 0.00 H ATOM 832 H ASN A 52 13.271 19.280 40.516 1.00 0.00 H ATOM 833 N ALA A 53 15.105 21.929 41.007 1.00 24.90 N ATOM 834 CA ALA A 53 16.114 22.957 40.796 1.00 25.74 C ATOM 835 C ALA A 53 15.490 24.155 39.950 1.00 26.28 C ATOM 836 O ALA A 53 15.261 25.258 40.450 1.00 27.23 O ATOM 837 CB ALA A 53 17.329 22.362 40.050 1.00 24.60 C ATOM 838 HA ALA A 53 16.446 23.335 41.763 1.00 0.00 H ATOM 839 HB1 ALA A 53 17.758 21.555 40.643 1.00 0.00 H ATOM 840 HB2 ALA A 53 17.006 21.973 39.084 1.00 0.00 H ATOM 841 HB3 ALA A 53 18.077 23.140 39.898 1.00 0.00 H ATOM 842 H ALA A 53 15.303 20.956 40.698 1.00 0.00 H ATOM 843 N LYS A 54 15.173 23.857 38.694 1.00 26.07 N ATOM 844 CA LYS A 54 14.632 24.829 37.734 1.00 26.37 C ATOM 845 C LYS A 54 13.107 25.088 37.628 1.00 25.48 C ATOM 846 O LYS A 54 12.736 26.058 36.958 1.00 26.07 O ATOM 847 CB LYS A 54 14.999 24.411 36.310 1.00 27.99 C ATOM 848 CG LYS A 54 16.497 24.386 36.140 1.00 30.05 C ATOM 849 CD LYS A 54 16.816 24.019 34.705 1.00 32.50 C ATOM 850 CE LYS A 54 18.243 24.380 34.291 1.00 33.10 C ATOM 851 NZ LYS A 54 18.571 23.894 32.903 1.00 35.81 N ATOM 852 HA LYS A 54 15.076 25.737 38.144 1.00 0.00 H ATOM 853 HB2 LYS A 54 14.598 23.417 36.112 1.00 0.00 H ATOM 854 HB3 LYS A 54 14.569 25.122 35.604 1.00 0.00 H ATOM 855 HG2 LYS A 54 16.909 25.369 36.368 1.00 0.00 H ATOM 856 HG3 LYS A 54 16.931 23.647 36.813 1.00 0.00 H ATOM 857 HD2 LYS A 54 16.682 22.944 34.585 1.00 0.00 H ATOM 858 HD3 LYS A 54 16.122 24.546 34.050 1.00 0.00 H ATOM 859 HE2 LYS A 54 18.939 23.926 34.996 1.00 0.00 H ATOM 860 HE3 LYS A 54 18.354 25.464 34.319 1.00 0.00 H ATOM 861 HZ1 LYS A 54 18.475 22.859 32.868 1.00 0.00 H ATOM 862 HZ2 LYS A 54 17.916 24.328 32.221 1.00 0.00 H ATOM 863 HZ3 LYS A 54 19.548 24.161 32.665 1.00 0.00 H ATOM 864 H LYS A 54 15.316 22.879 38.372 1.00 0.00 H ATOM 865 N GLY A 55 12.255 24.255 38.221 1.00 24.19 N ATOM 866 CA GLY A 55 10.815 24.479 38.076 1.00 21.19 C ATOM 867 C GLY A 55 10.425 24.164 36.636 1.00 18.19 C ATOM 868 O GLY A 55 11.139 23.408 35.963 1.00 16.05 O ATOM 869 HA3 GLY A 55 10.578 25.518 38.303 1.00 0.00 H ATOM 870 HA2 GLY A 55 10.269 23.826 38.757 1.00 0.00 H ATOM 871 H GLY A 55 12.608 23.453 38.782 1.00 0.00 H ATOM 872 N LEU A 56 9.305 24.718 36.165 1.00 17.46 N ATOM 873 CA LEU A 56 8.842 24.506 34.785 1.00 16.86 C ATOM 874 C LEU A 56 9.768 25.255 33.854 1.00 17.34 C ATOM 875 O LEU A 56 10.007 26.440 34.072 1.00 17.92 O ATOM 876 CB LEU A 56 7.435 25.076 34.594 1.00 18.31 C ATOM 877 CG LEU A 56 6.610 25.014 33.299 1.00 17.93 C ATOM 878 CD1 LEU A 56 6.427 23.625 32.759 1.00 17.74 C ATOM 879 CD2 LEU A 56 5.256 25.641 33.623 1.00 19.09 C ATOM 880 HA LEU A 56 8.834 23.436 34.576 1.00 0.00 H ATOM 881 HB2 LEU A 56 6.821 24.585 35.349 1.00 0.00 H ATOM 882 HB3 LEU A 56 7.520 26.137 34.830 1.00 0.00 H ATOM 883 HG LEU A 56 7.143 25.550 32.513 1.00 0.00 H ATOM 884 HD21 LEU A 56 4.776 25.074 34.421 1.00 0.00 H ATOM 885 HD22 LEU A 56 5.402 26.672 33.945 1.00 0.00 H ATOM 886 HD23 LEU A 56 4.626 25.623 32.733 1.00 0.00 H ATOM 887 HD11 LEU A 56 7.402 23.190 32.542 1.00 0.00 H ATOM 888 HD12 LEU A 56 5.912 23.014 33.500 1.00 0.00 H ATOM 889 HD13 LEU A 56 5.835 23.667 31.845 1.00 0.00 H ATOM 890 H LEU A 56 8.740 25.321 36.796 1.00 0.00 H ATOM 891 N ASN A 57 10.319 24.589 32.847 1.00 16.46 N ATOM 892 CA ASN A 57 11.248 25.254 31.935 1.00 14.90 C ATOM 893 C ASN A 57 11.141 24.581 30.580 1.00 15.17 C ATOM 894 O ASN A 57 10.522 23.521 30.453 1.00 15.20 O ATOM 895 CB ASN A 57 12.686 25.186 32.493 1.00 15.95 C ATOM 896 CG ASN A 57 13.199 23.759 32.617 1.00 15.49 C ATOM 897 OD1 ASN A 57 13.994 23.299 31.801 1.00 16.30 O ATOM 898 ND2 ASN A 57 12.694 23.031 33.610 1.00 16.24 N ATOM 899 HA ASN A 57 10.996 26.309 31.832 1.00 0.00 H ATOM 900 HB2 ASN A 57 13.347 25.738 31.824 1.00 0.00 H ATOM 901 HB3 ASN A 57 12.700 25.649 33.480 1.00 0.00 H ATOM 902 HD22 ASN A 57 12.023 23.459 34.280 1.00 0.00 H ATOM 903 HD21 ASN A 57 12.970 22.034 33.716 1.00 0.00 H ATOM 904 H ASN A 57 10.088 23.585 32.705 1.00 0.00 H ATOM 905 N VAL A 58 11.774 25.168 29.563 1.00 13.64 N ATOM 906 CA VAL A 58 11.709 24.634 28.209 1.00 12.31 C ATOM 907 C VAL A 58 13.074 24.420 27.610 1.00 12.56 C ATOM 908 O VAL A 58 13.981 25.223 27.849 1.00 12.25 O ATOM 909 CB VAL A 58 10.975 25.629 27.274 1.00 11.33 C ATOM 910 CG1 VAL A 58 10.916 25.106 25.856 1.00 10.66 C ATOM 911 CG2 VAL A 58 9.600 25.953 27.836 1.00 12.48 C ATOM 912 HA VAL A 58 11.184 23.682 28.288 1.00 0.00 H ATOM 913 HB VAL A 58 11.540 26.560 27.232 1.00 0.00 H ATOM 914 HG11 VAL A 58 11.929 24.959 25.482 1.00 0.00 H ATOM 915 HG12 VAL A 58 10.381 24.156 25.842 1.00 0.00 H ATOM 916 HG13 VAL A 58 10.395 25.827 25.226 1.00 0.00 H ATOM 917 HG21 VAL A 58 9.016 25.036 27.915 1.00 0.00 H ATOM 918 HG22 VAL A 58 9.709 26.402 28.823 1.00 0.00 H ATOM 919 HG23 VAL A 58 9.093 26.653 27.172 1.00 0.00 H ATOM 920 H VAL A 58 12.329 26.030 29.741 1.00 0.00 H ATOM 921 N LYS A 59 13.196 23.382 26.796 1.00 11.60 N ATOM 922 CA LYS A 59 14.426 23.074 26.095 1.00 12.89 C ATOM 923 C LYS A 59 14.070 23.021 24.617 1.00 11.56 C ATOM 924 O LYS A 59 12.934 22.663 24.263 1.00 11.10 O ATOM 925 CB LYS A 59 15.017 21.747 26.594 1.00 14.49 C ATOM 926 CG LYS A 59 15.519 21.658 28.026 1.00 16.07 C ATOM 927 CD LYS A 59 16.674 22.606 28.077 1.00 21.87 C ATOM 928 CE LYS A 59 17.501 22.434 29.366 1.00 23.66 C ATOM 929 NZ LYS A 59 18.401 23.620 29.636 1.00 26.13 N ATOM 930 HA LYS A 59 15.193 23.828 26.274 1.00 0.00 H ATOM 931 HB2 LYS A 59 14.243 20.988 26.479 1.00 0.00 H ATOM 932 HB3 LYS A 59 15.859 21.507 25.944 1.00 0.00 H ATOM 933 HG2 LYS A 59 14.741 21.960 28.727 1.00 0.00 H ATOM 934 HG3 LYS A 59 15.842 20.643 28.259 1.00 0.00 H ATOM 935 HD2 LYS A 59 17.319 22.423 27.217 1.00 0.00 H ATOM 936 HD3 LYS A 59 16.295 23.627 28.035 1.00 0.00 H ATOM 937 HE2 LYS A 59 18.118 21.541 29.270 1.00 0.00 H ATOM 938 HE3 LYS A 59 16.818 22.314 30.207 1.00 0.00 H ATOM 939 HZ1 LYS A 59 19.063 23.739 28.843 1.00 0.00 H ATOM 940 HZ2 LYS A 59 17.821 24.478 29.737 1.00 0.00 H ATOM 941 HZ3 LYS A 59 18.935 23.456 30.513 1.00 0.00 H ATOM 942 H LYS A 59 12.374 22.762 26.654 1.00 0.00 H ATOM 943 N HIS A 60 15.015 23.408 23.761 1.00 9.84 N ATOM 944 CA HIS A 60 14.798 23.422 22.325 1.00 9.35 C ATOM 945 C HIS A 60 15.818 22.620 21.652 1.00 9.33 C ATOM 946 O HIS A 60 16.990 22.882 21.859 1.00 11.34 O ATOM 947 CB HIS A 60 14.876 24.871 21.792 1.00 8.89 C ATOM 948 CG HIS A 60 13.970 25.825 22.516 1.00 9.99 C ATOM 949 ND1 HIS A 60 12.637 25.971 22.202 1.00 9.53 N ATOM 950 CD2 HIS A 60 14.206 26.679 23.544 1.00 9.63 C ATOM 951 CE1 HIS A 60 12.093 26.872 22.999 1.00 9.76 C ATOM 952 NE2 HIS A 60 13.023 27.313 23.825 1.00 9.34 N ATOM 953 HA HIS A 60 13.811 23.005 22.123 1.00 0.00 H ATOM 954 HB2 HIS A 60 15.902 25.223 21.897 1.00 0.00 H ATOM 955 HB3 HIS A 60 14.601 24.866 20.737 1.00 0.00 H ATOM 956 HD2 HIS A 60 15.158 26.832 24.052 1.00 0.00 H ATOM 957 HE1 HIS A 60 11.053 27.196 22.978 1.00 0.00 H ATOM 958 H HIS A 60 15.938 23.710 24.133 1.00 0.00 H ATOM 959 N TYR A 61 15.413 21.677 20.809 1.00 9.16 N ATOM 960 CA TYR A 61 16.341 20.798 20.120 1.00 10.45 C ATOM 961 C TYR A 61 16.242 20.999 18.626 1.00 11.57 C ATOM 962 O TYR A 61 15.162 20.963 18.038 1.00 11.89 O ATOM 963 CB TYR A 61 16.017 19.319 20.454 1.00 10.37 C ATOM 964 CG TYR A 61 16.008 19.004 21.934 1.00 9.47 C ATOM 965 CD1 TYR A 61 14.833 19.157 22.711 1.00 10.20 C ATOM 966 CD2 TYR A 61 17.186 18.636 22.608 1.00 9.92 C ATOM 967 CE1 TYR A 61 14.836 18.974 24.075 1.00 9.68 C ATOM 968 CE2 TYR A 61 17.197 18.449 23.975 1.00 10.43 C ATOM 969 CZ TYR A 61 16.022 18.624 24.703 1.00 9.23 C ATOM 970 OH TYR A 61 16.044 18.502 26.046 1.00 11.26 O ATOM 971 HA TYR A 61 17.352 21.036 20.451 1.00 0.00 H ATOM 972 HB3 TYR A 61 16.766 18.688 19.975 1.00 0.00 H ATOM 973 HB2 TYR A 61 15.033 19.085 20.048 1.00 0.00 H ATOM 974 HD2 TYR A 61 18.106 18.496 22.041 1.00 0.00 H ATOM 975 HE2 TYR A 61 18.119 18.166 24.482 1.00 0.00 H ATOM 976 HE1 TYR A 61 13.921 19.102 24.653 1.00 0.00 H ATOM 977 HD1 TYR A 61 13.901 19.427 22.215 1.00 0.00 H ATOM 978 HH TYR A 61 16.347 17.591 26.289 1.00 0.00 H ATOM 979 H TYR A 61 14.394 21.564 20.636 1.00 0.00 H ATOM 980 N LYS A 62 17.384 21.127 17.969 1.00 11.77 N ATOM 981 CA LYS A 62 17.384 21.317 16.539 1.00 13.55 C ATOM 982 C LYS A 62 17.226 19.997 15.815 1.00 13.72 C ATOM 983 O LYS A 62 17.911 19.053 16.166 1.00 13.89 O ATOM 984 CB LYS A 62 18.703 21.948 16.084 1.00 14.53 C ATOM 985 CG LYS A 62 18.580 22.114 14.586 1.00 20.18 C ATOM 986 CD LYS A 62 19.798 22.682 13.906 1.00 24.27 C ATOM 987 CE LYS A 62 19.882 24.141 14.211 1.00 27.32 C ATOM 988 NZ LYS A 62 18.942 24.879 13.321 1.00 30.94 N ATOM 989 HA LYS A 62 16.546 21.972 16.300 1.00 0.00 H ATOM 990 HB2 LYS A 62 18.847 22.916 16.564 1.00 0.00 H ATOM 991 HB3 LYS A 62 19.541 21.295 16.327 1.00 0.00 H ATOM 992 HG2 LYS A 62 18.376 21.135 14.153 1.00 0.00 H ATOM 993 HG3 LYS A 62 17.740 22.780 14.387 1.00 0.00 H ATOM 994 HD2 LYS A 62 20.692 22.178 14.274 1.00 0.00 H ATOM 995 HD3 LYS A 62 19.718 22.537 12.829 1.00 0.00 H ATOM 996 HE2 LYS A 62 20.900 24.492 14.040 1.00 0.00 H ATOM 997 HE3 LYS A 62 19.610 24.313 15.252 1.00 0.00 H ATOM 998 HZ1 LYS A 62 19.204 24.713 12.328 1.00 0.00 H ATOM 999 HZ2 LYS A 62 17.972 24.541 13.487 1.00 0.00 H ATOM 1000 HZ3 LYS A 62 18.996 25.897 13.529 1.00 0.00 H ATOM 1001 H LYS A 62 18.286 21.090 18.486 1.00 0.00 H ATOM 1002 N ILE A 63 16.292 19.917 14.877 1.00 13.28 N ATOM 1003 CA ILE A 63 16.084 18.719 14.093 1.00 14.35 C ATOM 1004 C ILE A 63 16.578 19.009 12.706 1.00 17.09 C ATOM 1005 O ILE A 63 16.047 19.896 12.002 1.00 16.06 O ATOM 1006 CB ILE A 63 14.595 18.323 13.984 1.00 13.14 C ATOM 1007 CG1 ILE A 63 14.042 17.921 15.358 1.00 13.39 C ATOM 1008 CG2 ILE A 63 14.431 17.186 12.978 1.00 13.30 C ATOM 1009 CD1 ILE A 63 12.526 17.576 15.341 1.00 11.70 C ATOM 1010 HA ILE A 63 16.611 17.898 14.579 1.00 0.00 H ATOM 1011 HB ILE A 63 14.026 19.183 13.632 1.00 0.00 H ATOM 1012 HG12 ILE A 63 14.591 17.047 15.709 1.00 0.00 H ATOM 1013 HG13 ILE A 63 14.200 18.749 16.049 1.00 0.00 H ATOM 1014 HD11 ILE A 63 11.961 18.445 15.003 1.00 0.00 H ATOM 1015 HD12 ILE A 63 12.352 16.741 14.662 1.00 0.00 H ATOM 1016 HD13 ILE A 63 12.206 17.301 16.346 1.00 0.00 H ATOM 1017 HG21 ILE A 63 14.789 17.512 12.001 1.00 0.00 H ATOM 1018 HG22 ILE A 63 15.009 16.323 13.309 1.00 0.00 H ATOM 1019 HG23 ILE A 63 13.378 16.914 12.908 1.00 0.00 H ATOM 1020 H ILE A 63 15.688 20.745 14.699 1.00 0.00 H ATOM 1021 N ARG A 64 17.589 18.251 12.290 1.00 18.77 N ATOM 1022 CA ARG A 64 18.166 18.385 10.955 1.00 22.31 C ATOM 1023 C ARG A 64 17.443 17.456 10.005 1.00 23.14 C ATOM 1024 O ARG A 64 16.965 16.392 10.368 1.00 19.82 O ATOM 1025 CB ARG A 64 19.636 17.953 10.945 1.00 24.18 C ATOM 1026 CG ARG A 64 20.163 18.740 12.116 1.00 28.31 C ATOM 1027 CD ARG A 64 20.442 20.124 11.621 1.00 32.74 C ATOM 1028 NE ARG A 64 21.884 20.339 11.516 1.00 36.53 N ATOM 1029 CZ ARG A 64 22.716 20.374 12.557 1.00 37.87 C ATOM 1030 NH1 ARG A 64 22.270 20.200 13.814 1.00 36.74 N ATOM 1031 NH2 ARG A 64 23.996 20.648 12.332 1.00 39.00 N ATOM 1032 HA ARG A 64 18.075 19.430 10.659 1.00 0.00 H ATOM 1033 HB2 ARG A 64 19.741 16.879 11.102 1.00 0.00 H ATOM 1034 HB3 ARG A 64 20.132 18.234 10.016 1.00 0.00 H ATOM 1035 HG2 ARG A 64 19.420 18.770 12.913 1.00 0.00 H ATOM 1036 HG3 ARG A 64 21.079 18.285 12.492 1.00 0.00 H ATOM 1037 HD2 ARG A 64 20.019 20.848 12.317 1.00 0.00 H ATOM 1038 HD3 ARG A 64 19.985 20.255 10.640 1.00 0.00 H ATOM 1039 HE ARG A 64 22.287 20.473 10.567 1.00 0.00 H ATOM 1040 HH12 ARG A 64 22.937 20.231 14.611 1.00 0.00 H ATOM 1041 HH11 ARG A 64 21.258 20.034 13.989 1.00 0.00 H ATOM 1042 HH22 ARG A 64 24.668 20.682 13.125 1.00 0.00 H ATOM 1043 HH21 ARG A 64 24.327 20.829 11.363 1.00 0.00 H ATOM 1044 H ARG A 64 17.982 17.538 12.938 1.00 0.00 H ATOM 1045 N LYS A 65 17.393 17.880 8.750 1.00 27.20 N ATOM 1046 CA LYS A 65 16.744 17.124 7.689 1.00 31.01 C ATOM 1047 C LYS A 65 17.723 17.052 6.582 1.00 32.87 C ATOM 1048 O LYS A 65 18.181 18.093 6.114 1.00 33.17 O ATOM 1049 CB LYS A 65 15.405 17.788 7.316 1.00 31.04 C ATOM 1050 CG LYS A 65 14.923 17.303 5.947 1.00 33.79 C ATOM 1051 CD LYS A 65 14.799 15.806 5.626 1.00 35.70 C ATOM 1052 CE LYS A 65 14.553 15.520 4.145 1.00 37.05 C ATOM 1053 NZ LYS A 65 13.547 16.468 3.553 1.00 39.33 N ATOM 1054 HA LYS A 65 16.476 16.109 7.983 1.00 0.00 H ATOM 1055 HB2 LYS A 65 14.658 17.535 8.069 1.00 0.00 H ATOM 1056 HB3 LYS A 65 15.538 18.869 7.286 1.00 0.00 H ATOM 1057 HG2 LYS A 65 13.932 17.733 5.799 1.00 0.00 H ATOM 1058 HG3 LYS A 65 15.612 17.720 5.212 1.00 0.00 H ATOM 1059 HD2 LYS A 65 15.723 15.311 5.925 1.00 0.00 H ATOM 1060 HD3 LYS A 65 13.967 15.397 6.200 1.00 0.00 H ATOM 1061 HE2 LYS A 65 14.182 14.500 4.039 1.00 0.00 H ATOM 1062 HE3 LYS A 65 15.494 15.621 3.605 1.00 0.00 H ATOM 1063 HZ1 LYS A 65 12.643 16.373 4.059 1.00 0.00 H ATOM 1064 HZ2 LYS A 65 13.896 17.443 3.644 1.00 0.00 H ATOM 1065 HZ3 LYS A 65 13.408 16.241 2.548 1.00 0.00 H ATOM 1066 H LYS A 65 17.836 18.791 8.514 1.00 0.00 H ATOM 1067 N LEU A 66 18.077 15.845 6.161 1.00 35.69 N ATOM 1068 CA LEU A 66 19.045 15.656 5.082 1.00 39.40 C ATOM 1069 C LEU A 66 18.378 15.585 3.745 1.00 41.33 C ATOM 1070 O LEU A 66 17.258 15.093 3.644 1.00 42.00 O ATOM 1071 CB LEU A 66 19.702 14.285 5.175 1.00 39.95 C ATOM 1072 CG LEU A 66 20.354 14.010 6.522 1.00 40.74 C ATOM 1073 CD1 LEU A 66 20.765 12.566 6.617 1.00 40.99 C ATOM 1074 CD2 LEU A 66 21.540 14.923 6.694 1.00 41.37 C ATOM 1075 HA LEU A 66 19.737 16.493 5.179 1.00 0.00 H ATOM 1076 HB2 LEU A 66 18.940 13.525 4.999 1.00 0.00 H ATOM 1077 HB3 LEU A 66 20.467 14.216 4.402 1.00 0.00 H ATOM 1078 HG LEU A 66 19.640 14.206 7.322 1.00 0.00 H ATOM 1079 HD21 LEU A 66 22.258 14.738 5.895 1.00 0.00 H ATOM 1080 HD22 LEU A 66 21.207 15.960 6.653 1.00 0.00 H ATOM 1081 HD23 LEU A 66 22.010 14.729 7.658 1.00 0.00 H ATOM 1082 HD11 LEU A 66 19.885 11.931 6.510 1.00 0.00 H ATOM 1083 HD12 LEU A 66 21.477 12.339 5.823 1.00 0.00 H ATOM 1084 HD13 LEU A 66 21.230 12.385 7.586 1.00 0.00 H ATOM 1085 H LEU A 66 17.654 15.009 6.612 1.00 0.00 H ATOM 1086 N ASP A 67 19.073 16.034 2.703 1.00 43.76 N ATOM 1087 CA ASP A 67 18.562 15.978 1.318 1.00 45.78 C ATOM 1088 C ASP A 67 18.589 14.510 0.942 1.00 45.61 C ATOM 1089 O ASP A 67 17.853 14.020 0.085 1.00 45.80 O ATOM 1090 CB ASP A 67 19.536 16.658 0.373 1.00 48.71 C ATOM 1091 CG ASP A 67 20.310 17.758 1.060 1.00 52.19 C ATOM 1092 OD1 ASP A 67 19.860 18.936 0.976 1.00 53.39 O ATOM 1093 OD2 ASP A 67 21.331 17.421 1.736 1.00 53.88 O ATOM 1094 HA ASP A 67 17.581 16.449 1.253 1.00 0.00 H ATOM 1095 HB2 ASP A 67 20.238 15.915 -0.005 1.00 0.00 H ATOM 1096 HB3 ASP A 67 18.979 17.086 -0.460 1.00 0.00 H ATOM 1097 H ASP A 67 20.015 16.441 2.871 1.00 0.00 H ATOM 1098 N SER A 68 19.511 13.812 1.608 1.00 45.28 N ATOM 1099 CA SER A 68 19.695 12.370 1.483 1.00 44.50 C ATOM 1100 C SER A 68 18.365 11.704 2.109 1.00 43.74 C ATOM 1101 O SER A 68 18.112 10.496 1.918 1.00 44.50 O ATOM 1102 CB SER A 68 20.881 11.928 2.344 1.00 45.04 C ATOM 1103 OG SER A 68 21.693 13.051 2.664 1.00 45.99 O ATOM 1104 HA SER A 68 19.871 12.083 0.446 1.00 0.00 H ATOM 1105 HB2 SER A 68 21.475 11.198 1.794 1.00 0.00 H ATOM 1106 HB3 SER A 68 20.511 11.475 3.264 1.00 0.00 H ATOM 1107 HG SER A 68 22.457 12.756 3.220 1.00 0.00 H ATOM 1108 H SER A 68 20.138 14.329 2.257 1.00 0.00 H ATOM 1109 N GLY A 69 17.642 12.499 2.914 1.00 41.33 N ATOM 1110 CA GLY A 69 16.384 12.068 3.502 1.00 37.86 C ATOM 1111 C GLY A 69 16.234 11.902 4.999 1.00 34.85 C ATOM 1112 O GLY A 69 15.116 11.939 5.512 1.00 35.94 O ATOM 1113 HA3 GLY A 69 16.151 11.100 3.059 1.00 0.00 H ATOM 1114 HA2 GLY A 69 15.634 12.797 3.195 1.00 0.00 H ATOM 1115 H GLY A 69 17.994 13.455 3.124 1.00 0.00 H ATOM 1116 N GLY A 70 17.328 11.745 5.721 1.00 32.04 N ATOM 1117 CA GLY A 70 17.185 11.537 7.145 1.00 28.02 C ATOM 1118 C GLY A 70 16.885 12.762 7.981 1.00 25.72 C ATOM 1119 O GLY A 70 17.385 13.847 7.688 1.00 26.09 O ATOM 1120 HA3 GLY A 70 18.116 11.106 7.512 1.00 0.00 H ATOM 1121 HA2 GLY A 70 16.373 10.826 7.296 1.00 0.00 H ATOM 1122 H GLY A 70 18.268 11.770 5.277 1.00 0.00 H ATOM 1123 N PHE A 71 16.032 12.581 8.994 1.00 22.04 N ATOM 1124 CA PHE A 71 15.686 13.617 9.981 1.00 18.13 C ATOM 1125 C PHE A 71 16.296 13.156 11.268 1.00 15.93 C ATOM 1126 O PHE A 71 16.185 11.966 11.614 1.00 14.87 O ATOM 1127 CB PHE A 71 14.203 13.612 10.329 1.00 17.63 C ATOM 1128 CG PHE A 71 13.329 14.153 9.239 1.00 18.17 C ATOM 1129 CD1 PHE A 71 12.924 13.333 8.184 1.00 17.94 C ATOM 1130 CD2 PHE A 71 12.886 15.468 9.281 1.00 16.79 C ATOM 1131 CE1 PHE A 71 12.090 13.821 7.203 1.00 17.98 C ATOM 1132 CE2 PHE A 71 12.059 15.952 8.308 1.00 18.28 C ATOM 1133 CZ PHE A 71 11.655 15.130 7.267 1.00 17.82 C ATOM 1134 HA PHE A 71 16.001 14.582 9.584 1.00 0.00 H ATOM 1135 HB2 PHE A 71 13.901 12.585 10.536 1.00 0.00 H ATOM 1136 HB3 PHE A 71 14.056 14.219 11.222 1.00 0.00 H ATOM 1137 HD2 PHE A 71 13.201 16.119 10.097 1.00 0.00 H ATOM 1138 HE2 PHE A 71 11.716 16.986 8.350 1.00 0.00 H ATOM 1139 HZ PHE A 71 10.991 15.519 6.495 1.00 0.00 H ATOM 1140 HE1 PHE A 71 11.775 13.178 6.381 1.00 0.00 H ATOM 1141 HD1 PHE A 71 13.270 12.300 8.137 1.00 0.00 H ATOM 1142 H PHE A 71 15.584 11.648 9.091 1.00 0.00 H ATOM 1143 N TYR A 72 16.961 14.052 11.989 1.00 13.68 N ATOM 1144 CA TYR A 72 17.582 13.656 13.244 1.00 12.61 C ATOM 1145 C TYR A 72 17.941 14.760 14.111 1.00 12.53 C ATOM 1146 O TYR A 72 17.995 15.896 13.624 1.00 12.82 O ATOM 1147 CB TYR A 72 18.889 12.885 12.996 1.00 13.57 C ATOM 1148 CG TYR A 72 19.937 13.658 12.253 1.00 13.55 C ATOM 1149 CD1 TYR A 72 20.816 14.512 12.925 1.00 15.92 C ATOM 1150 CD2 TYR A 72 20.044 13.546 10.875 1.00 15.46 C ATOM 1151 CE1 TYR A 72 21.797 15.253 12.238 1.00 17.33 C ATOM 1152 CE2 TYR A 72 21.008 14.272 10.166 1.00 19.29 C ATOM 1153 CZ TYR A 72 21.885 15.123 10.857 1.00 19.20 C ATOM 1154 OH TYR A 72 22.851 15.794 10.147 1.00 21.48 O ATOM 1155 HA TYR A 72 16.817 13.049 13.729 1.00 0.00 H ATOM 1156 HB3 TYR A 72 18.653 11.991 12.419 1.00 0.00 H ATOM 1157 HB2 TYR A 72 19.301 12.594 13.962 1.00 0.00 H ATOM 1158 HD2 TYR A 72 19.367 12.883 10.336 1.00 0.00 H ATOM 1159 HE2 TYR A 72 21.077 14.177 9.082 1.00 0.00 H ATOM 1160 HE1 TYR A 72 22.474 15.915 12.778 1.00 0.00 H ATOM 1161 HD1 TYR A 72 20.740 14.607 14.008 1.00 0.00 H ATOM 1162 HH TYR A 72 23.387 16.350 10.766 1.00 0.00 H ATOM 1163 H TYR A 72 17.038 15.035 11.657 1.00 0.00 H ATOM 1164 N ILE A 73 18.027 14.489 15.412 1.00 11.79 N ATOM 1165 CA ILE A 73 18.503 15.473 16.397 1.00 12.71 C ATOM 1166 C ILE A 73 20.046 15.153 16.477 1.00 13.77 C ATOM 1167 O ILE A 73 20.891 16.066 16.423 1.00 15.03 O ATOM 1168 CB ILE A 73 17.841 15.338 17.756 1.00 12.49 C ATOM 1169 CG1 ILE A 73 16.366 15.745 17.639 1.00 12.49 C ATOM 1170 CG2 ILE A 73 18.597 16.204 18.796 1.00 13.50 C ATOM 1171 CD1 ILE A 73 15.573 15.551 18.904 1.00 13.44 C ATOM 1172 HA ILE A 73 18.271 16.496 16.102 1.00 0.00 H ATOM 1173 HB ILE A 73 17.883 14.304 18.097 1.00 0.00 H ATOM 1174 HG12 ILE A 73 16.322 16.799 17.365 1.00 0.00 H ATOM 1175 HG13 ILE A 73 15.907 15.147 16.852 1.00 0.00 H ATOM 1176 HD11 ILE A 73 15.595 14.499 19.187 1.00 0.00 H ATOM 1177 HD12 ILE A 73 16.010 16.152 19.701 1.00 0.00 H ATOM 1178 HD13 ILE A 73 14.542 15.862 18.736 1.00 0.00 H ATOM 1179 HG21 ILE A 73 19.632 15.868 18.863 1.00 0.00 H ATOM 1180 HG22 ILE A 73 18.572 17.248 18.484 1.00 0.00 H ATOM 1181 HG23 ILE A 73 18.117 16.103 19.769 1.00 0.00 H ATOM 1182 H ILE A 73 17.747 13.544 15.745 1.00 0.00 H ATOM 1183 N THR A 74 20.387 13.872 16.633 1.00 13.20 N ATOM 1184 CA THR A 74 21.790 13.470 16.586 1.00 13.13 C ATOM 1185 C THR A 74 21.930 12.621 15.336 1.00 14.18 C ATOM 1186 O THR A 74 21.102 11.776 15.065 1.00 12.56 O ATOM 1187 CB THR A 74 22.272 12.723 17.820 1.00 13.73 C ATOM 1188 OG1 THR A 74 23.575 12.187 17.546 1.00 13.61 O ATOM 1189 CG2 THR A 74 21.303 11.622 18.231 1.00 12.94 C ATOM 1190 HA THR A 74 22.422 14.358 16.563 1.00 0.00 H ATOM 1191 HB THR A 74 22.324 13.416 18.659 1.00 0.00 H ATOM 1192 HG1 THR A 74 23.903 11.697 18.341 1.00 0.00 H ATOM 1193 HG23 THR A 74 20.324 12.058 18.432 1.00 0.00 H ATOM 1194 HG21 THR A 74 21.219 10.894 17.424 1.00 0.00 H ATOM 1195 HG22 THR A 74 21.675 11.129 19.130 1.00 0.00 H ATOM 1196 H THR A 74 19.649 13.156 16.789 1.00 0.00 H ATOM 1197 N SER A 75 22.984 12.863 14.560 1.00 15.60 N ATOM 1198 CA SER A 75 23.216 12.151 13.305 1.00 17.38 C ATOM 1199 C SER A 75 23.310 10.636 13.487 1.00 18.52 C ATOM 1200 O SER A 75 23.078 9.879 12.531 1.00 17.60 O ATOM 1201 CB SER A 75 24.465 12.711 12.570 1.00 17.70 C ATOM 1202 OG SER A 75 25.658 12.576 13.328 1.00 18.14 O ATOM 1203 HA SER A 75 22.341 12.329 12.680 1.00 0.00 H ATOM 1204 HB2 SER A 75 24.302 13.769 12.363 1.00 0.00 H ATOM 1205 HB3 SER A 75 24.587 12.172 11.630 1.00 0.00 H ATOM 1206 HG SER A 75 25.563 13.069 14.181 1.00 0.00 H ATOM 1207 H SER A 75 23.669 13.587 14.858 1.00 0.00 H ATOM 1208 N ARG A 76 23.625 10.213 14.713 1.00 19.28 N ATOM 1209 CA ARG A 76 23.751 8.796 15.018 1.00 21.23 C ATOM 1210 C ARG A 76 22.391 8.086 15.064 1.00 20.45 C ATOM 1211 O ARG A 76 22.372 6.847 14.974 1.00 20.74 O ATOM 1212 CB ARG A 76 24.325 8.593 16.415 1.00 25.16 C ATOM 1213 CG ARG A 76 25.604 9.340 16.740 1.00 31.84 C ATOM 1214 CD ARG A 76 26.958 8.845 16.227 1.00 37.18 C ATOM 1215 NE ARG A 76 28.081 9.586 16.829 1.00 41.79 N ATOM 1216 CZ ARG A 76 29.163 9.027 17.387 1.00 43.17 C ATOM 1217 NH1 ARG A 76 29.296 7.693 17.432 1.00 44.48 N ATOM 1218 NH2 ARG A 76 30.117 9.804 17.907 1.00 43.02 N ATOM 1219 HA ARG A 76 24.388 8.392 14.231 1.00 0.00 H ATOM 1220 HB2 ARG A 76 23.567 8.907 17.133 1.00 0.00 H ATOM 1221 HB3 ARG A 76 24.523 7.528 16.540 1.00 0.00 H ATOM 1222 HG2 ARG A 76 25.478 10.352 16.356 1.00 0.00 H ATOM 1223 HG3 ARG A 76 25.677 9.372 17.827 1.00 0.00 H ATOM 1224 HD2 ARG A 76 26.992 8.971 15.145 1.00 0.00 H ATOM 1225 HD3 ARG A 76 27.062 7.788 16.471 1.00 0.00 H ATOM 1226 HE ARG A 76 28.029 10.625 16.820 1.00 0.00 H ATOM 1227 HH12 ARG A 76 30.140 7.269 17.867 1.00 0.00 H ATOM 1228 HH11 ARG A 76 28.555 7.083 17.031 1.00 0.00 H ATOM 1229 HH22 ARG A 76 30.959 9.374 18.341 1.00 0.00 H ATOM 1230 HH21 ARG A 76 30.018 10.839 17.878 1.00 0.00 H ATOM 1231 H ARG A 76 23.784 10.912 15.467 1.00 0.00 H ATOM 1232 N THR A 77 21.289 8.845 15.156 1.00 18.13 N ATOM 1233 CA THR A 77 19.928 8.268 15.268 1.00 16.51 C ATOM 1234 C THR A 77 19.002 8.978 14.367 1.00 15.17 C ATOM 1235 O THR A 77 18.396 9.973 14.741 1.00 14.88 O ATOM 1236 CB THR A 77 19.481 8.377 16.750 1.00 16.83 C ATOM 1237 OG1 THR A 77 20.561 7.902 17.565 1.00 19.21 O ATOM 1238 CG2 THR A 77 18.226 7.567 17.069 1.00 17.03 C ATOM 1239 HA THR A 77 19.926 7.220 14.969 1.00 0.00 H ATOM 1240 HB THR A 77 19.235 9.420 16.949 1.00 0.00 H ATOM 1241 HG1 THR A 77 20.759 6.960 17.332 1.00 0.00 H ATOM 1242 HG23 THR A 77 17.400 7.922 16.453 1.00 0.00 H ATOM 1243 HG21 THR A 77 18.412 6.514 16.858 1.00 0.00 H ATOM 1244 HG22 THR A 77 17.974 7.689 18.122 1.00 0.00 H ATOM 1245 H THR A 77 21.393 9.880 15.148 1.00 0.00 H ATOM 1246 N GLN A 78 18.877 8.460 13.156 1.00 14.56 N ATOM 1247 CA GLN A 78 18.075 9.069 12.095 1.00 15.71 C ATOM 1248 C GLN A 78 16.773 8.400 11.798 1.00 16.10 C ATOM 1249 O GLN A 78 16.632 7.203 12.076 1.00 16.62 O ATOM 1250 CB GLN A 78 18.859 9.080 10.781 1.00 16.12 C ATOM 1251 CG GLN A 78 20.116 9.894 11.035 1.00 19.04 C ATOM 1252 CD GLN A 78 20.934 10.151 9.765 1.00 20.74 C ATOM 1253 OE1 GLN A 78 22.144 10.418 9.837 1.00 22.24 O ATOM 1254 NE2 GLN A 78 20.287 10.053 8.602 1.00 20.06 N ATOM 1255 HA GLN A 78 17.856 10.064 12.481 1.00 0.00 H ATOM 1256 HB2 GLN A 78 19.121 8.063 10.490 1.00 0.00 H ATOM 1257 HB3 GLN A 78 18.265 9.541 9.992 1.00 0.00 H ATOM 1258 HG2 GLN A 78 19.827 10.854 11.462 1.00 0.00 H ATOM 1259 HG3 GLN A 78 20.741 9.355 11.747 1.00 0.00 H ATOM 1260 HE22 GLN A 78 19.272 9.827 8.589 1.00 0.00 H ATOM 1261 HE21 GLN A 78 20.798 10.203 7.709 1.00 0.00 H ATOM 1262 H GLN A 78 19.376 7.572 12.947 1.00 0.00 H ATOM 1263 N PHE A 79 15.841 9.149 11.198 1.00 17.27 N ATOM 1264 CA PHE A 79 14.480 8.676 10.860 1.00 17.71 C ATOM 1265 C PHE A 79 14.072 9.068 9.437 1.00 19.34 C ATOM 1266 O PHE A 79 14.570 10.031 8.847 1.00 18.07 O ATOM 1267 CB PHE A 79 13.448 9.217 11.876 1.00 16.09 C ATOM 1268 CG PHE A 79 13.800 8.896 13.296 1.00 15.11 C ATOM 1269 CD1 PHE A 79 14.636 9.730 14.011 1.00 12.99 C ATOM 1270 CD2 PHE A 79 13.425 7.684 13.865 1.00 14.75 C ATOM 1271 CE1 PHE A 79 15.104 9.370 15.261 1.00 13.09 C ATOM 1272 CE2 PHE A 79 13.898 7.310 15.132 1.00 14.54 C ATOM 1273 CZ PHE A 79 14.745 8.158 15.832 1.00 13.39 C ATOM 1274 HA PHE A 79 14.497 7.587 10.911 1.00 0.00 H ATOM 1275 HB2 PHE A 79 13.390 10.300 11.769 1.00 0.00 H ATOM 1276 HB3 PHE A 79 12.476 8.778 11.651 1.00 0.00 H ATOM 1277 HD2 PHE A 79 12.756 7.017 13.321 1.00 0.00 H ATOM 1278 HE2 PHE A 79 13.601 6.355 15.566 1.00 0.00 H ATOM 1279 HZ PHE A 79 15.122 7.876 16.815 1.00 0.00 H ATOM 1280 HE1 PHE A 79 15.763 10.047 15.805 1.00 0.00 H ATOM 1281 HD1 PHE A 79 14.932 10.688 13.583 1.00 0.00 H ATOM 1282 H PHE A 79 16.089 10.129 10.953 1.00 0.00 H ATOM 1283 N ASN A 80 13.187 8.261 8.858 1.00 20.92 N ATOM 1284 CA ASN A 80 12.744 8.521 7.494 1.00 23.38 C ATOM 1285 C ASN A 80 11.706 9.608 7.461 1.00 22.97 C ATOM 1286 O ASN A 80 11.376 10.146 6.399 1.00 24.92 O ATOM 1287 CB ASN A 80 12.249 7.225 6.825 1.00 25.09 C ATOM 1288 CG ASN A 80 13.289 6.114 6.864 1.00 27.26 C ATOM 1289 OD1 ASN A 80 14.411 6.273 6.370 1.00 27.63 O ATOM 1290 ND2 ASN A 80 12.932 4.986 7.481 1.00 28.89 N ATOM 1291 HA ASN A 80 13.597 8.878 6.916 1.00 0.00 H ATOM 1292 HB2 ASN A 80 11.353 6.884 7.344 1.00 0.00 H ATOM 1293 HB3 ASN A 80 12.005 7.440 5.784 1.00 0.00 H ATOM 1294 HD22 ASN A 80 11.977 4.893 7.883 1.00 0.00 H ATOM 1295 HD21 ASN A 80 13.608 4.200 7.560 1.00 0.00 H ATOM 1296 H ASN A 80 12.811 7.444 9.379 1.00 0.00 H ATOM 1297 N SER A 81 11.177 9.962 8.625 1.00 21.15 N ATOM 1298 CA SER A 81 10.198 11.016 8.672 1.00 19.04 C ATOM 1299 C SER A 81 10.215 11.687 10.044 1.00 19.14 C ATOM 1300 O SER A 81 10.665 11.126 11.053 1.00 18.29 O ATOM 1301 CB SER A 81 8.816 10.436 8.439 1.00 17.35 C ATOM 1302 OG SER A 81 8.470 9.647 9.545 1.00 17.06 O ATOM 1303 HA SER A 81 10.436 11.748 7.900 1.00 0.00 H ATOM 1304 HB2 SER A 81 8.822 9.823 7.538 1.00 0.00 H ATOM 1305 HB3 SER A 81 8.093 11.244 8.323 1.00 0.00 H ATOM 1306 HG SER A 81 9.130 8.916 9.647 1.00 0.00 H ATOM 1307 H SER A 81 11.468 9.480 9.499 1.00 0.00 H ATOM 1308 N LEU A 82 9.654 12.891 10.066 1.00 18.68 N ATOM 1309 CA LEU A 82 9.523 13.693 11.269 1.00 18.87 C ATOM 1310 C LEU A 82 8.558 12.950 12.246 1.00 18.10 C ATOM 1311 O LEU A 82 8.747 12.920 13.461 1.00 17.42 O ATOM 1312 CB LEU A 82 9.050 15.088 10.850 1.00 19.48 C ATOM 1313 CG LEU A 82 9.270 16.244 11.810 1.00 20.73 C ATOM 1314 CD1 LEU A 82 10.707 16.265 12.274 1.00 19.85 C ATOM 1315 CD2 LEU A 82 8.911 17.545 11.090 1.00 21.34 C ATOM 1316 HA LEU A 82 10.463 13.825 11.804 1.00 0.00 H ATOM 1317 HB2 LEU A 82 9.564 15.337 9.922 1.00 0.00 H ATOM 1318 HB3 LEU A 82 7.978 15.023 10.664 1.00 0.00 H ATOM 1319 HG LEU A 82 8.637 16.130 12.690 1.00 0.00 H ATOM 1320 HD21 LEU A 82 9.548 17.661 10.213 1.00 0.00 H ATOM 1321 HD22 LEU A 82 7.867 17.511 10.780 1.00 0.00 H ATOM 1322 HD23 LEU A 82 9.063 18.387 11.766 1.00 0.00 H ATOM 1323 HD11 LEU A 82 10.937 15.328 12.781 1.00 0.00 H ATOM 1324 HD12 LEU A 82 11.364 16.384 11.412 1.00 0.00 H ATOM 1325 HD13 LEU A 82 10.853 17.098 12.962 1.00 0.00 H ATOM 1326 H LEU A 82 9.289 13.280 9.173 1.00 0.00 H ATOM 1327 N GLN A 83 7.573 12.272 11.659 1.00 18.67 N ATOM 1328 CA GLN A 83 6.576 11.508 12.402 1.00 19.69 C ATOM 1329 C GLN A 83 7.227 10.358 13.133 1.00 18.80 C ATOM 1330 O GLN A 83 6.952 10.113 14.315 1.00 19.70 O ATOM 1331 CB GLN A 83 5.418 11.091 11.480 1.00 22.81 C ATOM 1332 CG GLN A 83 4.526 12.257 10.943 1.00 26.28 C ATOM 1333 CD GLN A 83 5.014 12.993 9.646 1.00 27.62 C ATOM 1334 OE1 GLN A 83 4.227 13.714 9.001 1.00 30.41 O ATOM 1335 NE2 GLN A 83 6.271 12.794 9.259 1.00 26.73 N ATOM 1336 HA GLN A 83 6.130 12.136 13.173 1.00 0.00 H ATOM 1337 HB2 GLN A 83 5.843 10.572 10.621 1.00 0.00 H ATOM 1338 HB3 GLN A 83 4.777 10.407 12.036 1.00 0.00 H ATOM 1339 HG2 GLN A 83 3.538 11.846 10.735 1.00 0.00 H ATOM 1340 HG3 GLN A 83 4.449 13.003 11.734 1.00 0.00 H ATOM 1341 HE22 GLN A 83 6.899 12.186 9.823 1.00 0.00 H ATOM 1342 HE21 GLN A 83 6.626 13.247 8.393 1.00 0.00 H ATOM 1343 H GLN A 83 7.512 12.288 10.621 1.00 0.00 H ATOM 1344 N GLN A 84 8.148 9.688 12.452 1.00 17.34 N ATOM 1345 CA GLN A 84 8.876 8.578 13.055 1.00 17.96 C ATOM 1346 C GLN A 84 9.779 9.057 14.167 1.00 14.93 C ATOM 1347 O GLN A 84 9.933 8.398 15.179 1.00 15.57 O ATOM 1348 CB GLN A 84 9.666 7.798 11.983 1.00 21.14 C ATOM 1349 CG GLN A 84 8.711 6.935 11.144 1.00 24.97 C ATOM 1350 CD GLN A 84 9.388 6.297 9.928 1.00 27.56 C ATOM 1351 OE1 GLN A 84 10.075 6.970 9.152 1.00 28.45 O ATOM 1352 NE2 GLN A 84 9.183 4.996 9.755 1.00 29.08 N ATOM 1353 HA GLN A 84 8.150 7.896 13.498 1.00 0.00 H ATOM 1354 HB2 GLN A 84 10.182 8.503 11.331 1.00 0.00 H ATOM 1355 HB3 GLN A 84 10.398 7.155 12.471 1.00 0.00 H ATOM 1356 HG2 GLN A 84 8.314 6.141 11.777 1.00 0.00 H ATOM 1357 HG3 GLN A 84 7.892 7.563 10.795 1.00 0.00 H ATOM 1358 HE22 GLN A 84 8.598 4.467 10.433 1.00 0.00 H ATOM 1359 HE21 GLN A 84 9.608 4.506 8.942 1.00 0.00 H ATOM 1360 H GLN A 84 8.354 9.960 11.470 1.00 0.00 H ATOM 1361 N LEU A 85 10.402 10.206 13.978 1.00 14.08 N ATOM 1362 CA LEU A 85 11.276 10.759 15.005 1.00 13.18 C ATOM 1363 C LEU A 85 10.457 11.073 16.235 1.00 12.44 C ATOM 1364 O LEU A 85 10.862 10.702 17.333 1.00 13.64 O ATOM 1365 CB LEU A 85 12.001 11.996 14.468 1.00 11.53 C ATOM 1366 CG LEU A 85 13.010 12.715 15.365 1.00 12.38 C ATOM 1367 CD1 LEU A 85 13.970 13.464 14.431 1.00 11.27 C ATOM 1368 CD2 LEU A 85 12.328 13.692 16.320 1.00 11.90 C ATOM 1369 HA LEU A 85 12.040 10.032 15.281 1.00 0.00 H ATOM 1370 HB2 LEU A 85 12.536 11.688 13.570 1.00 0.00 H ATOM 1371 HB3 LEU A 85 11.235 12.724 14.202 1.00 0.00 H ATOM 1372 HG LEU A 85 13.537 11.994 15.990 1.00 0.00 H ATOM 1373 HD21 LEU A 85 11.787 14.443 15.744 1.00 0.00 H ATOM 1374 HD22 LEU A 85 11.631 13.148 16.957 1.00 0.00 H ATOM 1375 HD23 LEU A 85 13.082 14.180 16.938 1.00 0.00 H ATOM 1376 HD11 LEU A 85 14.470 12.750 13.777 1.00 0.00 H ATOM 1377 HD12 LEU A 85 13.407 14.177 13.829 1.00 0.00 H ATOM 1378 HD13 LEU A 85 14.713 13.996 15.026 1.00 0.00 H ATOM 1379 H LEU A 85 10.267 10.723 13.085 1.00 0.00 H ATOM 1380 N VAL A 86 9.303 11.715 16.062 1.00 13.24 N ATOM 1381 CA VAL A 86 8.435 12.053 17.186 1.00 14.36 C ATOM 1382 C VAL A 86 8.025 10.794 17.893 1.00 14.53 C ATOM 1383 O VAL A 86 8.081 10.700 19.121 1.00 14.87 O ATOM 1384 CB VAL A 86 7.186 12.851 16.712 1.00 14.04 C ATOM 1385 CG1 VAL A 86 6.173 13.027 17.850 1.00 12.86 C ATOM 1386 CG2 VAL A 86 7.631 14.252 16.232 1.00 16.00 C ATOM 1387 HA VAL A 86 8.986 12.691 17.877 1.00 0.00 H ATOM 1388 HB VAL A 86 6.714 12.293 15.903 1.00 0.00 H ATOM 1389 HG11 VAL A 86 5.847 12.047 18.200 1.00 0.00 H ATOM 1390 HG12 VAL A 86 6.641 13.570 18.671 1.00 0.00 H ATOM 1391 HG13 VAL A 86 5.313 13.588 17.485 1.00 0.00 H ATOM 1392 HG21 VAL A 86 8.113 14.780 17.054 1.00 0.00 H ATOM 1393 HG22 VAL A 86 8.333 14.145 15.405 1.00 0.00 H ATOM 1394 HG23 VAL A 86 6.759 14.815 15.899 1.00 0.00 H ATOM 1395 H VAL A 86 9.012 11.983 15.100 1.00 0.00 H ATOM 1396 N ALA A 87 7.640 9.791 17.109 1.00 15.65 N ATOM 1397 CA ALA A 87 7.220 8.507 17.678 1.00 15.98 C ATOM 1398 C ALA A 87 8.305 7.878 18.542 1.00 15.33 C ATOM 1399 O ALA A 87 8.061 7.458 19.667 1.00 15.62 O ATOM 1400 CB ALA A 87 6.784 7.540 16.561 1.00 17.15 C ATOM 1401 HA ALA A 87 6.367 8.703 18.328 1.00 0.00 H ATOM 1402 HB1 ALA A 87 5.949 7.975 16.011 1.00 0.00 H ATOM 1403 HB2 ALA A 87 7.620 7.371 15.882 1.00 0.00 H ATOM 1404 HB3 ALA A 87 6.476 6.592 17.002 1.00 0.00 H ATOM 1405 H ALA A 87 7.637 9.920 16.077 1.00 0.00 H ATOM 1406 N TYR A 88 9.534 7.862 18.033 1.00 15.29 N ATOM 1407 CA TYR A 88 10.660 7.286 18.765 1.00 14.29 C ATOM 1408 C TYR A 88 10.941 8.045 20.068 1.00 13.10 C ATOM 1409 O TYR A 88 11.124 7.426 21.111 1.00 12.92 O ATOM 1410 CB TYR A 88 11.882 7.174 17.829 1.00 15.25 C ATOM 1411 CG TYR A 88 13.131 6.732 18.525 1.00 16.03 C ATOM 1412 CD1 TYR A 88 13.556 5.378 18.513 1.00 18.50 C ATOM 1413 CD2 TYR A 88 13.897 7.654 19.205 1.00 17.09 C ATOM 1414 CE1 TYR A 88 14.747 4.984 19.192 1.00 19.18 C ATOM 1415 CE2 TYR A 88 15.059 7.287 19.878 1.00 19.24 C ATOM 1416 CZ TYR A 88 15.482 5.972 19.875 1.00 19.43 C ATOM 1417 OH TYR A 88 16.622 5.691 20.603 1.00 21.93 O ATOM 1418 HA TYR A 88 10.407 6.275 19.084 1.00 0.00 H ATOM 1419 HB3 TYR A 88 12.064 8.151 17.381 1.00 0.00 H ATOM 1420 HB2 TYR A 88 11.651 6.453 17.045 1.00 0.00 H ATOM 1421 HD2 TYR A 88 13.585 8.698 19.216 1.00 0.00 H ATOM 1422 HE2 TYR A 88 15.638 8.041 20.410 1.00 0.00 H ATOM 1423 HE1 TYR A 88 15.079 3.946 19.182 1.00 0.00 H ATOM 1424 HD1 TYR A 88 12.967 4.632 17.980 1.00 0.00 H ATOM 1425 HH TYR A 88 16.472 5.926 21.553 1.00 0.00 H ATOM 1426 H TYR A 88 9.698 8.270 17.090 1.00 0.00 H ATOM 1427 N TYR A 89 10.973 9.377 20.014 1.00 12.89 N ATOM 1428 CA TYR A 89 11.240 10.169 21.214 1.00 12.13 C ATOM 1429 C TYR A 89 10.096 10.195 22.238 1.00 12.25 C ATOM 1430 O TYR A 89 10.251 10.697 23.335 1.00 12.38 O ATOM 1431 CB TYR A 89 11.820 11.544 20.833 1.00 11.55 C ATOM 1432 CG TYR A 89 13.257 11.466 20.312 1.00 12.32 C ATOM 1433 CD1 TYR A 89 13.551 11.737 18.972 1.00 10.62 C ATOM 1434 CD2 TYR A 89 14.317 11.075 21.158 1.00 12.12 C ATOM 1435 CE1 TYR A 89 14.849 11.617 18.487 1.00 11.58 C ATOM 1436 CE2 TYR A 89 15.623 10.955 20.664 1.00 10.93 C ATOM 1437 CZ TYR A 89 15.860 11.225 19.333 1.00 11.02 C ATOM 1438 OH TYR A 89 17.113 11.058 18.807 1.00 13.12 O ATOM 1439 HA TYR A 89 12.015 9.651 21.778 1.00 0.00 H ATOM 1440 HB3 TYR A 89 11.805 12.184 21.715 1.00 0.00 H ATOM 1441 HB2 TYR A 89 11.193 11.983 20.057 1.00 0.00 H ATOM 1442 HD2 TYR A 89 14.117 10.864 22.209 1.00 0.00 H ATOM 1443 HE2 TYR A 89 16.438 10.653 21.322 1.00 0.00 H ATOM 1444 HE1 TYR A 89 15.064 11.833 17.440 1.00 0.00 H ATOM 1445 HD1 TYR A 89 12.752 12.047 18.298 1.00 0.00 H ATOM 1446 HH TYR A 89 17.101 11.296 17.846 1.00 0.00 H ATOM 1447 H TYR A 89 10.806 9.858 19.107 1.00 0.00 H ATOM 1448 N SER A 90 8.935 9.697 21.859 1.00 13.12 N ATOM 1449 CA SER A 90 7.812 9.608 22.807 1.00 15.04 C ATOM 1450 C SER A 90 7.971 8.334 23.668 1.00 16.28 C ATOM 1451 O SER A 90 7.311 8.135 24.691 1.00 17.16 O ATOM 1452 CB SER A 90 6.487 9.508 22.069 1.00 14.76 C ATOM 1453 OG SER A 90 6.280 10.642 21.273 1.00 14.86 O ATOM 1454 HA SER A 90 7.819 10.505 23.426 1.00 0.00 H ATOM 1455 HB2 SER A 90 5.678 9.426 22.794 1.00 0.00 H ATOM 1456 HB3 SER A 90 6.496 8.621 21.435 1.00 0.00 H ATOM 1457 HG SER A 90 7.012 10.717 20.611 1.00 0.00 H ATOM 1458 H SER A 90 8.812 9.364 20.881 1.00 0.00 H ATOM 1459 N LYS A 91 8.906 7.489 23.245 1.00 17.76 N ATOM 1460 CA LYS A 91 9.220 6.236 23.916 1.00 19.06 C ATOM 1461 C LYS A 91 10.597 6.237 24.583 1.00 19.15 C ATOM 1462 O LYS A 91 10.821 5.509 25.540 1.00 20.61 O ATOM 1463 CB LYS A 91 9.270 5.095 22.892 1.00 21.04 C ATOM 1464 CG LYS A 91 7.999 4.913 22.055 1.00 24.49 C ATOM 1465 CD LYS A 91 6.946 4.288 22.969 1.00 27.94 C ATOM 1466 CE LYS A 91 5.834 3.336 22.497 1.00 29.18 C ATOM 1467 NZ LYS A 91 5.282 2.593 23.687 1.00 32.47 N ATOM 1468 HA LYS A 91 8.442 6.108 24.668 1.00 0.00 H ATOM 1469 HB2 LYS A 91 10.098 5.289 22.210 1.00 0.00 H ATOM 1470 HB3 LYS A 91 9.455 4.166 23.431 1.00 0.00 H ATOM 1471 HG2 LYS A 91 7.651 5.879 21.688 1.00 0.00 H ATOM 1472 HG3 LYS A 91 8.199 4.255 21.209 1.00 0.00 H ATOM 1473 HD2 LYS A 91 7.505 3.734 23.724 1.00 0.00 H ATOM 1474 HD3 LYS A 91 6.433 5.126 23.441 1.00 0.00 H ATOM 1475 HE2 LYS A 91 6.243 2.624 21.780 1.00 0.00 H ATOM 1476 HE3 LYS A 91 5.038 3.911 22.024 1.00 0.00 H ATOM 1477 HZ1 LYS A 91 6.044 2.046 24.137 1.00 0.00 H ATOM 1478 HZ2 LYS A 91 4.893 3.274 24.370 1.00 0.00 H ATOM 1479 HZ3 LYS A 91 4.529 1.948 23.373 1.00 0.00 H ATOM 1480 H LYS A 91 9.442 7.736 22.389 1.00 0.00 H ATOM 1481 N HIS A 92 11.544 7.023 24.082 1.00 18.19 N ATOM 1482 CA HIS A 92 12.878 7.038 24.678 1.00 17.75 C ATOM 1483 C HIS A 92 13.289 8.447 24.979 1.00 16.16 C ATOM 1484 O HIS A 92 13.150 9.296 24.093 1.00 15.81 O ATOM 1485 CB HIS A 92 13.958 6.571 23.680 1.00 20.31 C ATOM 1486 CG HIS A 92 13.620 5.298 22.961 1.00 22.63 C ATOM 1487 ND1 HIS A 92 14.284 4.110 23.195 1.00 23.94 N ATOM 1488 CD2 HIS A 92 12.654 5.023 22.049 1.00 22.99 C ATOM 1489 CE1 HIS A 92 13.733 3.156 22.461 1.00 23.61 C ATOM 1490 NE2 HIS A 92 12.745 3.680 21.760 1.00 25.50 N ATOM 1491 HA HIS A 92 12.815 6.394 25.555 1.00 0.00 H ATOM 1492 HB2 HIS A 92 14.100 7.356 22.937 1.00 0.00 H ATOM 1493 HB3 HIS A 92 14.888 6.418 24.228 1.00 0.00 H ATOM 1494 HD2 HIS A 92 11.941 5.731 21.626 1.00 0.00 H ATOM 1495 HE1 HIS A 92 14.044 2.111 22.439 1.00 0.00 H ATOM 1496 H HIS A 92 11.335 7.629 23.263 1.00 0.00 H ATOM 1497 N ALA A 93 13.749 8.712 26.197 1.00 15.07 N ATOM 1498 CA ALA A 93 14.205 10.053 26.557 1.00 14.25 C ATOM 1499 C ALA A 93 15.612 10.295 25.862 1.00 14.36 C ATOM 1500 O ALA A 93 15.849 11.374 25.306 1.00 13.82 O ATOM 1501 CB ALA A 93 14.315 10.197 28.076 1.00 13.80 C ATOM 1502 HA ALA A 93 13.487 10.798 26.214 1.00 0.00 H ATOM 1503 HB1 ALA A 93 13.338 10.023 28.528 1.00 0.00 H ATOM 1504 HB2 ALA A 93 15.029 9.467 28.458 1.00 0.00 H ATOM 1505 HB3 ALA A 93 14.656 11.203 28.321 1.00 0.00 H ATOM 1506 H ALA A 93 13.785 7.952 26.906 1.00 0.00 H ATOM 1507 N ASP A 94 16.483 9.279 25.850 1.00 15.12 N ATOM 1508 CA ASP A 94 17.834 9.413 25.263 1.00 14.87 C ATOM 1509 C ASP A 94 18.487 10.715 25.785 1.00 14.57 C ATOM 1510 O ASP A 94 18.612 10.859 27.006 1.00 15.07 O ATOM 1511 CB ASP A 94 17.798 9.325 23.738 1.00 14.22 C ATOM 1512 CG ASP A 94 17.509 7.926 23.244 1.00 15.47 C ATOM 1513 OD1 ASP A 94 17.210 7.017 24.077 1.00 15.34 O ATOM 1514 OD2 ASP A 94 17.548 7.740 22.007 1.00 16.49 O ATOM 1515 HA ASP A 94 18.456 8.576 25.581 1.00 0.00 H ATOM 1516 HB2 ASP A 94 17.021 9.994 23.367 1.00 0.00 H ATOM 1517 HB3 ASP A 94 18.765 9.641 23.347 1.00 0.00 H ATOM 1518 H ASP A 94 16.202 8.368 26.266 1.00 0.00 H ATOM 1519 N GLY A 95 18.833 11.663 24.906 1.00 14.01 N ATOM 1520 CA GLY A 95 19.452 12.901 25.377 1.00 12.45 C ATOM 1521 C GLY A 95 18.476 14.034 25.686 1.00 11.74 C ATOM 1522 O GLY A 95 18.910 15.086 26.131 1.00 12.20 O ATOM 1523 HA3 GLY A 95 20.141 13.249 24.608 1.00 0.00 H ATOM 1524 HA2 GLY A 95 20.008 12.676 26.287 1.00 0.00 H ATOM 1525 H GLY A 95 18.662 11.519 23.890 1.00 0.00 H ATOM 1526 N LEU A 96 17.172 13.801 25.482 1.00 11.25 N ATOM 1527 CA LEU A 96 16.122 14.785 25.725 1.00 11.30 C ATOM 1528 C LEU A 96 15.826 14.985 27.250 1.00 11.54 C ATOM 1529 O LEU A 96 16.066 14.075 28.066 1.00 11.46 O ATOM 1530 CB LEU A 96 14.800 14.368 25.046 1.00 11.01 C ATOM 1531 CG LEU A 96 14.768 14.242 23.521 1.00 11.28 C ATOM 1532 CD1 LEU A 96 13.349 13.956 23.066 1.00 12.30 C ATOM 1533 CD2 LEU A 96 15.294 15.515 22.850 1.00 12.44 C ATOM 1534 HA LEU A 96 16.495 15.719 25.305 1.00 0.00 H ATOM 1535 HB2 LEU A 96 14.521 13.397 25.455 1.00 0.00 H ATOM 1536 HB3 LEU A 96 14.049 15.107 25.323 1.00 0.00 H ATOM 1537 HG LEU A 96 15.418 13.418 23.227 1.00 0.00 H ATOM 1538 HD21 LEU A 96 14.673 16.362 23.143 1.00 0.00 H ATOM 1539 HD22 LEU A 96 16.323 15.691 23.164 1.00 0.00 H ATOM 1540 HD23 LEU A 96 15.259 15.395 21.767 1.00 0.00 H ATOM 1541 HD11 LEU A 96 13.006 13.024 23.515 1.00 0.00 H ATOM 1542 HD12 LEU A 96 12.697 14.773 23.377 1.00 0.00 H ATOM 1543 HD13 LEU A 96 13.328 13.867 21.980 1.00 0.00 H ATOM 1544 H LEU A 96 16.892 12.863 25.130 1.00 0.00 H ATOM 1545 N CYS A 97 15.282 16.156 27.603 1.00 11.63 N ATOM 1546 CA CYS A 97 14.962 16.472 28.993 1.00 11.79 C ATOM 1547 C CYS A 97 13.895 15.534 29.520 1.00 11.78 C ATOM 1548 O CYS A 97 13.764 15.312 30.740 1.00 11.05 O ATOM 1549 CB CYS A 97 14.533 17.938 29.149 1.00 12.25 C ATOM 1550 SG CYS A 97 13.151 18.444 28.096 1.00 14.54 S ATOM 1551 HA CYS A 97 15.865 16.331 29.586 1.00 0.00 H ATOM 1552 HB2 CYS A 97 15.389 18.569 28.911 1.00 0.00 H ATOM 1553 HB3 CYS A 97 14.244 18.098 30.188 1.00 0.00 H ATOM 1554 HG CYS A 97 12.862 19.773 28.327 1.00 0.00 H ATOM 1555 H CYS A 97 15.081 16.862 26.866 1.00 0.00 H ATOM 1556 N HIS A 98 13.133 14.976 28.589 1.00 11.48 N ATOM 1557 CA HIS A 98 12.069 14.035 28.940 1.00 11.98 C ATOM 1558 C HIS A 98 11.511 13.425 27.642 1.00 12.42 C ATOM 1559 O HIS A 98 11.646 14.029 26.558 1.00 12.10 O ATOM 1560 CB HIS A 98 10.936 14.785 29.657 1.00 12.13 C ATOM 1561 CG HIS A 98 9.984 13.886 30.375 1.00 10.80 C ATOM 1562 ND1 HIS A 98 8.901 13.297 29.752 1.00 11.90 N ATOM 1563 CD2 HIS A 98 9.946 13.486 31.663 1.00 10.14 C ATOM 1564 CE1 HIS A 98 8.234 12.573 30.632 1.00 11.69 C ATOM 1565 NE2 HIS A 98 8.850 12.669 31.798 1.00 12.19 N ATOM 1566 HA HIS A 98 12.464 13.257 29.593 1.00 0.00 H ATOM 1567 HB2 HIS A 98 11.379 15.468 30.382 1.00 0.00 H ATOM 1568 HB3 HIS A 98 10.378 15.357 28.916 1.00 0.00 H ATOM 1569 HD2 HIS A 98 10.651 13.759 32.448 1.00 0.00 H ATOM 1570 HE1 HIS A 98 7.331 11.996 30.432 1.00 0.00 H ATOM 1571 H HIS A 98 13.295 15.212 27.589 1.00 0.00 H ATOM 1572 N ARG A 99 10.943 12.219 27.726 1.00 11.11 N ATOM 1573 CA ARG A 99 10.365 11.641 26.522 1.00 12.40 C ATOM 1574 C ARG A 99 9.112 12.607 26.126 1.00 11.59 C ATOM 1575 O ARG A 99 8.553 13.282 26.999 1.00 11.62 O ATOM 1576 CB ARG A 99 9.904 10.180 26.747 1.00 13.52 C ATOM 1577 CG ARG A 99 8.590 10.063 27.446 1.00 16.33 C ATOM 1578 CD ARG A 99 8.010 8.647 27.566 1.00 17.93 C ATOM 1579 NE ARG A 99 6.758 8.627 28.331 1.00 18.23 N ATOM 1580 CZ ARG A 99 5.540 8.768 27.807 1.00 16.78 C ATOM 1581 NH1 ARG A 99 5.356 8.937 26.496 1.00 16.97 N ATOM 1582 NH2 ARG A 99 4.503 8.765 28.622 1.00 17.49 N ATOM 1583 HA ARG A 99 11.101 11.590 25.719 1.00 0.00 H ATOM 1584 HB2 ARG A 99 9.821 9.692 25.776 1.00 0.00 H ATOM 1585 HB3 ARG A 99 10.659 9.670 27.346 1.00 0.00 H ATOM 1586 HG2 ARG A 99 8.713 10.459 28.454 1.00 0.00 H ATOM 1587 HG3 ARG A 99 7.869 10.673 26.903 1.00 0.00 H ATOM 1588 HD2 ARG A 99 8.739 8.010 28.067 1.00 0.00 H ATOM 1589 HD3 ARG A 99 7.817 8.260 26.566 1.00 0.00 H ATOM 1590 HE ARG A 99 6.826 8.493 29.360 1.00 0.00 H ATOM 1591 HH12 ARG A 99 4.394 9.044 26.115 1.00 0.00 H ATOM 1592 HH11 ARG A 99 6.175 8.961 25.855 1.00 0.00 H ATOM 1593 HH22 ARG A 99 3.542 8.873 28.241 1.00 0.00 H ATOM 1594 HH21 ARG A 99 4.647 8.654 29.646 1.00 0.00 H ATOM 1595 H ARG A 99 10.915 11.706 28.630 1.00 0.00 H ATOM 1596 N LEU A 100 8.757 12.630 24.858 1.00 10.90 N ATOM 1597 CA LEU A 100 7.645 13.439 24.394 1.00 11.93 C ATOM 1598 C LEU A 100 6.361 12.805 24.902 1.00 13.49 C ATOM 1599 O LEU A 100 6.174 11.586 24.754 1.00 13.54 O ATOM 1600 CB LEU A 100 7.655 13.515 22.874 1.00 10.72 C ATOM 1601 CG LEU A 100 8.987 14.045 22.299 1.00 9.61 C ATOM 1602 CD1 LEU A 100 8.907 14.113 20.785 1.00 9.98 C ATOM 1603 CD2 LEU A 100 9.354 15.420 22.945 1.00 8.66 C ATOM 1604 HA LEU A 100 7.725 14.458 24.774 1.00 0.00 H ATOM 1605 HB2 LEU A 100 7.479 12.516 22.476 1.00 0.00 H ATOM 1606 HB3 LEU A 100 6.851 14.179 22.555 1.00 0.00 H ATOM 1607 HG LEU A 100 9.793 13.356 22.550 1.00 0.00 H ATOM 1608 HD21 LEU A 100 8.565 16.141 22.734 1.00 0.00 H ATOM 1609 HD22 LEU A 100 9.457 15.297 24.023 1.00 0.00 H ATOM 1610 HD23 LEU A 100 10.295 15.777 22.527 1.00 0.00 H ATOM 1611 HD11 LEU A 100 8.715 13.116 20.387 1.00 0.00 H ATOM 1612 HD12 LEU A 100 8.098 14.783 20.495 1.00 0.00 H ATOM 1613 HD13 LEU A 100 9.851 14.488 20.389 1.00 0.00 H ATOM 1614 H LEU A 100 9.286 12.054 24.172 1.00 0.00 H ATOM 1615 N THR A 101 5.490 13.606 25.515 1.00 13.21 N ATOM 1616 CA THR A 101 4.221 13.078 26.033 1.00 13.30 C ATOM 1617 C THR A 101 3.015 13.558 25.180 1.00 14.89 C ATOM 1618 O THR A 101 2.604 12.863 24.225 1.00 17.02 O ATOM 1619 CB THR A 101 4.044 13.408 27.533 1.00 11.80 C ATOM 1620 OG1 THR A 101 4.203 14.810 27.730 1.00 12.03 O ATOM 1621 CG2 THR A 101 5.100 12.713 28.370 1.00 11.72 C ATOM 1622 HA THR A 101 4.254 11.992 25.949 1.00 0.00 H ATOM 1623 HB THR A 101 3.052 13.072 27.834 1.00 0.00 H ATOM 1624 HG1 THR A 101 4.090 15.022 28.690 1.00 0.00 H ATOM 1625 HG23 THR A 101 5.009 11.634 28.244 1.00 0.00 H ATOM 1626 HG21 THR A 101 6.089 13.036 28.046 1.00 0.00 H ATOM 1627 HG22 THR A 101 4.958 12.971 29.419 1.00 0.00 H ATOM 1628 H THR A 101 5.711 14.616 25.628 1.00 0.00 H ATOM 1629 N THR A 102 2.500 14.748 25.471 1.00 14.96 N ATOM 1630 CA THR A 102 1.366 15.281 24.716 1.00 15.50 C ATOM 1631 C THR A 102 1.666 16.593 23.984 1.00 14.05 C ATOM 1632 O THR A 102 2.552 17.348 24.396 1.00 12.66 O ATOM 1633 CB THR A 102 0.152 15.515 25.646 1.00 18.33 C ATOM 1634 OG1 THR A 102 -0.923 16.064 24.891 1.00 24.32 O ATOM 1635 CG2 THR A 102 0.481 16.430 26.763 1.00 17.32 C ATOM 1636 HA THR A 102 1.147 14.524 23.963 1.00 0.00 H ATOM 1637 HB THR A 102 -0.132 14.553 26.072 1.00 0.00 H ATOM 1638 HG1 THR A 102 -1.174 15.433 24.170 1.00 0.00 H ATOM 1639 HG23 THR A 102 1.304 16.012 27.343 1.00 0.00 H ATOM 1640 HG21 THR A 102 0.773 17.400 26.362 1.00 0.00 H ATOM 1641 HG22 THR A 102 -0.393 16.549 27.403 1.00 0.00 H ATOM 1642 H THR A 102 2.909 15.308 26.246 1.00 0.00 H ATOM 1643 N VAL A 103 0.871 16.885 22.961 1.00 13.32 N ATOM 1644 CA VAL A 103 1.019 18.104 22.186 1.00 14.25 C ATOM 1645 C VAL A 103 0.639 19.311 23.047 1.00 13.96 C ATOM 1646 O VAL A 103 -0.363 19.308 23.769 1.00 13.57 O ATOM 1647 CB VAL A 103 0.085 18.123 20.940 1.00 14.76 C ATOM 1648 CG1 VAL A 103 0.282 19.431 20.137 1.00 17.65 C ATOM 1649 CG2 VAL A 103 0.371 16.953 20.065 1.00 19.28 C ATOM 1650 HA VAL A 103 2.059 18.146 21.862 1.00 0.00 H ATOM 1651 HB VAL A 103 -0.948 18.070 21.284 1.00 0.00 H ATOM 1652 HG11 VAL A 103 0.045 20.285 20.772 1.00 0.00 H ATOM 1653 HG12 VAL A 103 1.318 19.500 19.805 1.00 0.00 H ATOM 1654 HG13 VAL A 103 -0.379 19.427 19.270 1.00 0.00 H ATOM 1655 HG21 VAL A 103 1.409 16.993 19.734 1.00 0.00 H ATOM 1656 HG22 VAL A 103 0.202 16.033 20.624 1.00 0.00 H ATOM 1657 HG23 VAL A 103 -0.289 16.979 19.198 1.00 0.00 H ATOM 1658 H VAL A 103 0.116 16.217 22.706 1.00 0.00 H ATOM 1659 N CYS A 104 1.446 20.361 22.939 1.00 13.42 N ATOM 1660 CA CYS A 104 1.198 21.591 23.660 1.00 13.80 C ATOM 1661 C CYS A 104 -0.150 22.240 23.235 1.00 14.48 C ATOM 1662 O CYS A 104 -0.519 22.242 22.059 1.00 13.39 O ATOM 1663 CB CYS A 104 2.223 22.660 23.253 1.00 12.79 C ATOM 1664 SG CYS A 104 2.320 24.088 24.343 1.00 12.98 S ATOM 1665 HA CYS A 104 1.227 21.323 24.716 1.00 0.00 H ATOM 1666 HB2 CYS A 104 1.962 23.014 22.256 1.00 0.00 H ATOM 1667 HB3 CYS A 104 3.206 22.190 23.225 1.00 0.00 H ATOM 1668 HG CYS A 104 1.093 24.717 24.384 1.00 0.00 H ATOM 1669 H CYS A 104 2.279 20.297 22.319 1.00 0.00 H ATOM 1670 N PRO A 105 -0.897 22.758 24.209 1.00 16.65 N ATOM 1671 CA PRO A 105 -2.176 23.424 23.934 1.00 20.47 C ATOM 1672 C PRO A 105 -1.826 24.716 23.250 1.00 23.93 C ATOM 1673 O PRO A 105 -0.752 25.274 23.515 1.00 25.40 O ATOM 1674 CB PRO A 105 -2.680 23.812 25.325 1.00 19.83 C ATOM 1675 CG PRO A 105 -2.091 22.743 26.218 1.00 21.09 C ATOM 1676 CD PRO A 105 -0.678 22.607 25.657 1.00 19.09 C ATOM 1677 HA PRO A 105 -2.878 22.826 23.352 1.00 0.00 H ATOM 1678 HD3 PRO A 105 -0.024 23.390 26.041 1.00 0.00 H ATOM 1679 HD2 PRO A 105 -0.252 21.632 25.892 1.00 0.00 H ATOM 1680 HG3 PRO A 105 -2.643 21.807 26.134 1.00 0.00 H ATOM 1681 HG2 PRO A 105 -2.075 23.061 27.260 1.00 0.00 H ATOM 1682 HB2 PRO A 105 -2.320 24.801 25.609 1.00 0.00 H ATOM 1683 HB3 PRO A 105 -3.769 23.798 25.364 1.00 0.00 H ATOM 1684 N THR A 106 -2.713 25.201 22.386 1.00 27.93 N ATOM 1685 CA THR A 106 -2.550 26.458 21.645 1.00 31.19 C ATOM 1686 C THR A 106 -2.891 27.722 22.488 1.00 32.16 C ATOM 1687 O THR A 106 -3.690 27.627 23.457 1.00 33.71 O ATOM 1688 CB THR A 106 -3.429 26.396 20.381 1.00 32.50 C ATOM 1689 OG1 THR A 106 -2.740 25.645 19.366 1.00 34.96 O ATOM 1690 CG2 THR A 106 -3.835 27.761 19.877 1.00 33.85 C ATOM 1691 HA THR A 106 -1.497 26.557 21.381 1.00 0.00 H ATOM 1692 HB THR A 106 -4.360 25.893 20.642 1.00 0.00 H ATOM 1693 HG1 THR A 106 -2.566 24.728 19.697 1.00 0.00 H ATOM 1694 HG23 THR A 106 -4.353 28.300 20.670 1.00 0.00 H ATOM 1695 HG21 THR A 106 -2.946 28.316 19.579 1.00 0.00 H ATOM 1696 HG22 THR A 106 -4.498 27.648 19.020 1.00 0.00 H ATOM 1697 H THR A 106 -3.582 24.652 22.224 1.00 0.00 H TER 1698 THR A 106 HETATM 1699 O HOH 1 4.893 13.706 31.925 1.00 9.68 O HETATM 1700 O HOH 2 15.547 16.152 32.456 1.00 21.35 O HETATM 1701 O HOH 3 18.727 9.508 20.452 1.00 16.34 O HETATM 1702 O HOH 4 5.495 33.446 17.048 1.00 23.73 O HETATM 1703 O HOH 5 6.871 20.361 32.001 1.00 12.27 O HETATM 1704 O HOH 6 5.312 20.479 34.430 1.00 19.50 O HETATM 1705 O HOH 7 26.589 12.618 15.791 1.00 17.70 O HETATM 1706 O HOH 8 20.593 18.712 16.155 1.00 20.08 O HETATM 1707 O HOH 9 16.608 34.660 16.032 1.00 22.44 O HETATM 1708 O HOH 10 20.788 5.005 17.323 1.00 21.31 O HETATM 1709 O HOH 11 18.292 4.329 18.704 1.00 29.54 O HETATM 1710 O HOH 12 5.853 6.169 20.089 1.00 22.16 O HETATM 1711 O HOH 13 21.451 8.514 20.117 1.00 18.09 O HETATM 1712 O HOH 14 18.951 15.823 28.986 1.00 14.78 O HETATM 1713 O HOH 15 3.527 31.483 29.610 1.00 25.49 O HETATM 1714 O HOH 16 1.811 12.708 20.699 1.00 49.50 O HETATM 1715 O HOH 17 12.610 28.163 29.873 1.00 20.29 O HETATM 1716 O HOH 18 10.552 33.631 26.579 1.00 30.15 O HETATM 1717 O HOH 19 7.772 33.541 26.755 1.00 28.62 O HETATM 1718 O HOH 20 10.455 29.153 14.416 1.00 30.67 O HETATM 1719 O HOH 21 16.681 19.472 39.986 1.00 52.71 O HETATM 1720 O HOH 22 7.299 4.740 14.238 1.00 30.97 O HETATM 1721 O HOH 23 10.332 31.149 12.521 1.00 35.99 O HETATM 1722 O HOH 24 11.978 29.917 9.994 1.00 21.83 O HETATM 1723 O HOH 25 15.333 18.014 34.207 1.00 22.94 O HETATM 1724 O HOH 26 -2.303 14.626 20.031 1.00 35.57 O HETATM 1725 O HOH 27 13.347 26.826 7.962 1.00 46.70 O HETATM 1726 O HOH 28 5.154 35.387 21.696 1.00 26.17 O HETATM 1727 O HOH 29 -0.491 26.598 26.549 1.00 34.95 O HETATM 1728 O HOH 30 0.549 29.580 28.462 1.00 25.27 O HETATM 1729 O HOH 31 11.800 28.408 32.798 1.00 43.41 O HETATM 1730 O HOH 32 2.351 11.761 13.458 1.00 33.89 O HETATM 1731 O HOH 33 0.082 21.766 11.538 1.00 30.49 O HETATM 1732 O HOH 34 10.168 4.177 7.172 1.00 25.93 O HETATM 1733 O HOH 35 15.432 21.168 31.555 1.00 21.44 O HETATM 1734 O HOH 36 -2.786 22.306 20.551 1.00 17.65 O HETATM 1735 O HOH 37 8.380 8.902 31.022 1.00 25.53 O HETATM 1736 O HOH 38 22.797 22.495 16.267 1.00 58.97 O HETATM 1737 O HOH 39 16.121 26.671 26.674 1.00 28.46 O HETATM 1738 O HOH 40 -4.293 25.712 29.859 1.00 42.74 O HETATM 1739 O HOH 41 30.730 10.602 15.307 1.00 27.01 O HETATM 1740 O HOH 42 -0.644 14.787 21.993 1.00 31.18 O HETATM 1741 O HOH 43 0.860 28.859 34.355 1.00 41.45 O HETATM 1742 O HOH 44 15.421 25.021 30.244 1.00 23.75 O HETATM 1743 O HOH 45 -2.690 20.777 18.280 1.00 18.54 O HETATM 1744 O HOH 46 27.896 11.774 18.304 1.00 29.50 O HETATM 1745 O HOH 47 6.246 6.507 12.642 1.00 61.83 O HETATM 1746 O HOH 48 30.284 8.154 19.886 1.00 34.09 O HETATM 1747 O HOH 49 27.067 9.357 12.928 1.00 65.29 O HETATM 1748 O HOH 50 1.069 24.452 11.428 1.00 32.30 O HETATM 1749 O HOH 51 23.346 4.486 17.604 1.00 46.23 O HETATM 1750 O HOH 52 20.650 32.398 22.746 1.00 68.69 O HETATM 1751 O HOH 53 0.125 29.657 31.122 1.00 53.46 O HETATM 1752 O HOH 54 2.134 32.604 16.728 1.00 62.75 O HETATM 1753 O HOH 55 9.863 14.514 4.409 1.00 67.39 O HETATM 1754 O HOH 56 -1.187 24.459 28.823 1.00 66.30 O HETATM 1755 O HOH 57 -4.625 19.076 18.612 1.00 26.02 O HETATM 1756 O HOH 58 1.126 30.426 18.231 1.00 48.61 O HETATM 1757 O HOH 59 10.206 30.456 6.896 1.00 36.63 O HETATM 1758 O HOH 60 -0.866 25.445 15.321 1.00 66.39 O HETATM 1759 O HOH 61 5.135 36.434 24.407 1.00 37.26 O HETATM 1760 O HOH 62 10.938 16.869 41.041 1.00 40.77 O HETATM 1761 O HOH 63 6.918 29.963 6.874 1.00 51.59 O HETATM 1762 O HOH 64 8.615 26.406 5.831 1.00 82.36 O HETATM 1763 O HOH 65 -5.312 27.523 31.473 1.00 67.24 O HETATM 1764 O HOH 66 30.077 8.112 14.243 1.00 46.75 O HETATM 1765 O HOH 67 12.585 26.790 41.205 1.00 55.72 O HETATM 1766 O HOH 68 20.563 6.193 12.776 1.00 20.40 O HETATM 1767 O HOH 69 18.845 31.969 24.838 1.00 60.24 O HETATM 1768 O HOH 70 20.766 23.713 27.645 1.00 41.32 O HETATM 1769 O HOH 71 18.224 17.928 27.374 1.00 25.88 O HETATM 1770 O HOH 72 17.095 7.240 27.774 1.00 35.03 O HETATM 1771 O HOH 73 0.079 19.781 28.131 1.00 24.52 O HETATM 1772 O HOH 74 0.433 33.873 27.904 1.00 55.50 O HETATM 1773 O HOH 75 19.665 20.891 19.656 1.00 15.14 O HETATM 1774 O HOH 76 7.987 11.090 34.044 1.00 41.08 O HETATM 1775 O HOH 77 3.571 28.018 9.583 1.00 40.61 O HETATM 1776 O HOH 78 6.133 25.996 8.419 1.00 33.03 O HETATM 1777 O HOH 79 8.121 23.777 42.410 1.00 34.08 O HETATM 1778 O HOH 80 7.842 25.930 38.179 1.00 26.26 O HETATM 1779 O HOH 81 14.747 5.171 11.829 1.00 16.00 O HETATM 1780 O HOH 82 -2.460 18.909 33.606 1.00 13.41 O HETATM 1781 O HOH 83 14.218 20.791 34.253 1.00 53.70 O HETATM 1782 O HOH 84 0.275 12.018 22.835 1.00 31.54 O HETATM 1783 O HOH 85 17.206 24.978 24.933 1.00 13.76 O HETATM 1784 O HOH 86 18.223 12.000 16.542 1.00 12.01 O HETATM 1785 O HOH 87 8.356 13.830 7.736 1.00 22.06 O HETATM 1786 O HOH 88 8.711 2.868 11.495 1.00 31.08 O HETATM 1787 O HOH 89 18.375 12.823 28.642 1.00 10.66 O HETATM 1788 O HOH 90 7.214 22.911 6.409 1.00 71.78 O HETATM 1789 O HOH 91 0.448 28.175 17.140 1.00 41.90 O HETATM 1790 O HOH 92 -0.151 27.426 13.322 1.00 77.90 O HETATM 1791 O HOH 93 5.798 35.302 26.698 1.00 36.83 O HETATM 1792 O HOH 94 3.776 29.140 35.371 1.00 42.58 O HETATM 1793 O HOH 95 11.471 24.859 7.957 1.00 39.67 O HETATM 1794 O HOH 96 19.037 20.353 8.384 1.00 27.49 O HETATM 1795 O HOH 97 13.907 27.805 35.106 1.00 42.26 O HETATM 1796 O HOH 98 12.733 5.865 10.168 1.00 21.64 O HETATM 1797 O HOH 99 9.746 11.901 36.414 1.00 25.64 O HETATM 1798 O HOH 100 8.335 28.957 36.807 1.00 52.71 O HETATM 1799 O HOH 101 9.824 8.593 34.284 1.00 30.83 O HETATM 1800 O HOH 102 30.585 4.795 18.661 1.00 70.10 O HETATM 1801 O HOH 103 8.093 32.403 5.705 1.00 33.51 O HETATM 1802 O HOH 104 15.824 27.500 31.981 1.00 34.32 O HETATM 1803 O HOH 105 11.025 28.337 38.653 1.00 52.50 O HETATM 1804 O HOH 106 10.896 23.538 42.036 1.00 55.41 O HETATM 1805 O HOH 107 -0.952 22.652 15.493 1.00 43.61 O HETATM 1806 O HOH 108 -1.439 29.497 19.374 1.00 72.55 O HETATM 1807 O HOH 109 6.982 30.679 34.214 1.00 65.66 O HETATM 1808 O HOH 110 6.975 33.285 29.284 1.00 63.80 O HETATM 1809 O HOH 111 3.246 36.398 28.464 1.00 58.52 O HETATM 1810 O HOH 112 10.633 30.855 33.297 1.00 29.85 O HETATM 1811 O HOH 113 15.079 32.456 28.259 1.00 76.28 O HETATM 1812 O HOH 114 16.143 30.411 7.519 1.00 41.38 O HETATM 1813 O HOH 115 21.721 30.406 4.389 1.00 87.49 O HETATM 1814 O HOH 116 17.858 26.475 29.335 1.00 62.01 O HETATM 1815 O HOH 117 9.240 11.771 4.596 1.00 61.91 O HETATM 1816 O HOH 118 -0.566 13.191 26.227 1.00 31.07 O HETATM 1817 O HOH 119 -1.124 18.818 26.043 1.00 22.82 O HETATM 1818 O HOH 120 21.659 15.118 26.782 1.00 33.26 O HETATM 1819 O HOH 121 9.862 16.279 38.419 1.00 23.54 O HETATM 1820 O HOH 122 -1.943 27.450 33.860 1.00 27.63 O HETATM 1821 O HOH 123 0.892 35.107 17.930 1.00 74.02 O HETATM 1822 O HOH 124 16.695 30.679 18.310 1.00 34.19 O HETATM 1823 O HOH 125 21.427 9.854 6.107 1.00 65.50 O HETATM 1824 O HOH 126 22.281 16.524 19.522 1.00 25.31 O HETATM 1825 O HOH 127 20.403 23.749 4.771 1.00 68.30 O HETATM 1826 O HOH 128 20.121 29.800 17.229 1.00 50.04 O HETATM 1827 O HOH 129 22.004 21.983 9.423 1.00 62.36 O HETATM 1828 O HOH 130 24.600 11.717 8.144 1.00 44.26 O HETATM 1829 O HOH 131 15.796 28.338 19.768 1.00 36.55 O HETATM 1830 O HOH 132 14.333 29.232 17.722 1.00 52.67 O HETATM 1831 O HOH 133 16.794 19.567 4.013 1.00 39.05 O HETATM 1832 O HOH 134 2.102 28.950 12.101 1.00 38.90 O HETATM 1833 O HOH 135 1.863 15.660 28.810 1.00 37.99 O HETATM 1834 O HOH 136 17.727 33.577 12.951 1.00 40.05 O HETATM 1835 O HOH 137 17.526 5.475 26.118 1.00 46.62 O HETATM 1836 O HOH 138 10.867 4.642 12.153 1.00 35.92 O HETATM 1837 O HOH 139 3.658 11.017 20.429 1.00 48.82 O HETATM 1838 O HOH 140 5.186 9.184 31.498 1.00 56.18 O HETATM 1839 O HOH 141 0.497 11.383 9.463 1.00 72.30 O HETATM 1840 C1 UNN A 142 19.765 25.716 18.033 1.00 -0.06 C HETATM 1841 C2 UNN A 142 19.112 26.400 16.976 1.00 -0.06 C HETATM 1842 C3 UNN A 142 17.676 26.362 16.822 1.00 0.01 C HETATM 1843 C4 UNN A 142 16.949 25.568 17.760 1.00 -0.01 C HETATM 1844 C5 UNN A 142 17.595 24.947 18.881 1.00 -0.05 C HETATM 1845 C6 UNN A 142 18.991 25.023 19.009 1.00 -0.04 C HETATM 1846 C7 UNN A 142 19.677 24.367 20.190 1.00 0.02 C HETATM 1847 C8 UNN A 142 19.297 25.039 21.516 1.00 0.14 C HETATM 1848 C9 UNN A 142 20.057 24.325 22.596 1.00 0.21 C HETATM 1849 N10 UNN A 142 19.348 23.298 23.115 1.00 -0.26 N HETATM 1850 C16 UNN A 142 20.004 22.329 23.943 1.00 0.13 C HETATM 1851 C17 UNN A 142 18.888 21.463 24.538 1.00 -0.01 C HETATM 1852 C18 UNN A 142 19.424 20.853 25.820 1.00 -0.05 C HETATM 1853 C19 UNN A 142 20.595 19.908 25.825 1.00 -0.03 C HETATM 1854 C20 UNN A 142 21.942 20.458 25.340 1.00 0.04 C HETATM 1855 N21 UNN A 142 22.039 20.701 23.889 1.00 -0.26 N HETATM 1856 C22 UNN A 142 21.154 21.513 23.134 1.00 0.21 C HETATM 1857 O25 UNN A 142 21.183 21.618 21.897 1.00 -0.39 O HETATM 1858 C23 UNN A 142 23.034 19.831 23.204 1.00 0.07 C HETATM 1859 C24 UNN A 142 22.441 18.494 22.966 1.00 -0.02 C HETATM 1860 C46 UNN A 142 22.984 17.285 23.573 1.00 -0.06 C HETATM 1861 C47 UNN A 142 22.353 15.997 23.382 1.00 -0.06 C HETATM 1862 C48 UNN A 142 21.169 15.980 22.569 1.00 -0.02 C HETATM 1863 C49 UNN A 142 20.636 17.175 21.984 1.00 -0.06 C HETATM 1864 C50 UNN A 142 21.265 18.454 22.163 1.00 -0.06 C HETATM 1865 H26 UNN A 142 20.862 19.351 21.706 1.00 0.06 H HETATM 1866 H25 UNN A 142 19.732 17.112 21.389 1.00 0.06 H HETATM 1867 C55 UNN A 142 20.427 14.722 22.257 1.00 -0.02 C HETATM 1868 C56 UNN A 142 21.172 13.533 22.060 1.00 -0.06 C HETATM 1869 C57 UNN A 142 20.494 12.336 21.759 1.00 -0.06 C HETATM 1870 C58 UNN A 142 19.067 12.376 21.670 1.00 -0.06 C HETATM 1871 C59 UNN A 142 18.311 13.595 21.911 1.00 -0.06 C HETATM 1872 C60 UNN A 142 19.009 14.768 22.186 1.00 -0.06 C HETATM 1873 H31 UNN A 142 18.479 15.701 22.343 1.00 0.06 H HETATM 1874 H30 UNN A 142 17.227 13.590 21.877 1.00 0.06 H HETATM 1875 H29 UNN A 142 18.532 11.469 21.415 1.00 0.06 H HETATM 1876 H28 UNN A 142 21.037 11.412 21.599 1.00 0.06 H HETATM 1877 H27 UNN A 142 22.253 13.545 22.140 1.00 0.06 H HETATM 1878 H24 UNN A 142 22.752 15.094 23.828 1.00 0.06 H HETATM 1879 H23 UNN A 142 23.879 17.352 24.180 1.00 0.06 H HETATM 1880 H21 UNN A 142 23.928 19.728 23.837 1.00 0.07 H HETATM 1881 H22 UNN A 142 23.316 20.284 22.242 1.00 0.07 H HETATM 1882 H19 UNN A 142 22.723 19.735 25.616 1.00 0.05 H HETATM 1883 H20 UNN A 142 22.125 21.411 25.857 1.00 0.05 H HETATM 1884 H17 UNN A 142 20.335 19.055 25.181 1.00 0.03 H HETATM 1885 H18 UNN A 142 20.733 19.558 26.859 1.00 0.03 H HETATM 1886 H15 UNN A 142 18.585 20.306 26.275 1.00 0.03 H HETATM 1887 H16 UNN A 142 19.706 21.696 26.468 1.00 0.03 H HETATM 1888 H13 UNN A 142 18.611 20.668 23.830 1.00 0.03 H HETATM 1889 H14 UNN A 142 18.006 22.083 24.756 1.00 0.03 H HETATM 1890 H12 UNN A 142 20.506 22.853 24.769 1.00 0.08 H HETATM 1891 H7 UNN A 142 18.370 23.215 22.922 1.00 0.19 H HETATM 1892 O15 UNN A 142 21.211 24.665 22.941 1.00 -0.39 O HETATM 1893 N11 UNN A 142 19.728 26.450 21.574 1.00 -0.26 N HETATM 1894 C12 UNN A 142 18.877 27.474 21.600 1.00 0.18 C HETATM 1895 C13 UNN A 142 19.667 28.780 21.421 1.00 0.03 C HETATM 1896 H9 UNN A 142 18.974 29.634 21.441 1.00 0.05 H HETATM 1897 H10 UNN A 142 20.196 28.759 20.457 1.00 0.05 H HETATM 1898 H11 UNN A 142 20.397 28.882 22.237 1.00 0.05 H HETATM 1899 O14 UNN A 142 17.642 27.415 21.607 1.00 -0.40 O HETATM 1900 H8 UNN A 142 20.708 26.647 21.595 1.00 0.19 H HETATM 1901 H6 UNN A 142 18.211 24.968 21.677 1.00 0.08 H HETATM 1902 H4 UNN A 142 20.766 24.439 20.054 1.00 0.05 H HETATM 1903 H5 UNN A 142 19.381 23.308 20.230 1.00 0.05 H HETATM 1904 H3 UNN A 142 17.008 24.422 19.625 1.00 0.05 H HETATM 1905 C71 UNN A 142 15.532 25.491 17.784 1.00 0.08 C HETATM 1906 O72 UNN A 142 14.867 26.629 18.207 1.00 -0.38 O HETATM 1907 H34 UNN A 142 15.082 27.353 17.630 1.00 0.21 H HETATM 1908 H32 UNN A 142 15.252 24.668 18.458 1.00 0.07 H HETATM 1909 H33 UNN A 142 15.191 25.262 16.764 1.00 0.07 H HETATM 1910 C68 UNN A 142 17.058 27.210 15.736 1.00 0.05 C HETATM 1911 O69 UNN A 142 17.584 27.488 14.720 1.00 -0.56 O HETATM 1912 O70 UNN A 142 15.857 27.658 15.851 1.00 -0.56 O HETATM 1913 H2 UNN A 142 19.705 26.965 16.266 1.00 0.06 H HETATM 1914 H1 UNN A 142 20.847 25.720 18.098 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1840 1841 1845 1914 CONECT 1841 1840 1842 1913 CONECT 1842 1841 1843 1910 CONECT 1843 1842 1844 1905 CONECT 1844 1843 1845 1904 CONECT 1845 1840 1844 1846 CONECT 1846 1845 1847 1902 1903 CONECT 1847 1846 1848 1893 1901 CONECT 1848 1847 1849 1892 CONECT 1849 1848 1850 1891 CONECT 1850 1849 1851 1856 1890 CONECT 1851 1850 1852 1888 1889 CONECT 1852 1851 1853 1886 1887 CONECT 1853 1852 1854 1884 1885 CONECT 1854 1853 1855 1882 1883 CONECT 1855 1854 1856 1858 CONECT 1856 1850 1855 1857 CONECT 1857 1856 CONECT 1858 1855 1859 1880 1881 CONECT 1859 1858 1860 1864 CONECT 1860 1859 1861 1879 CONECT 1861 1860 1862 1878 CONECT 1862 1861 1863 1867 CONECT 1863 1862 1864 1866 CONECT 1864 1859 1863 1865 CONECT 1865 1864 CONECT 1866 1863 CONECT 1867 1862 1868 1872 CONECT 1868 1867 1869 1877 CONECT 1869 1868 1870 1876 CONECT 1870 1869 1871 1875 CONECT 1871 1870 1872 1874 CONECT 1872 1867 1871 1873 CONECT 1873 1872 CONECT 1874 1871 CONECT 1875 1870 CONECT 1876 1869 CONECT 1877 1868 CONECT 1878 1861 CONECT 1879 1860 CONECT 1880 1858 CONECT 1881 1858 CONECT 1882 1854 CONECT 1883 1854 CONECT 1884 1853 CONECT 1885 1853 CONECT 1886 1852 CONECT 1887 1852 CONECT 1888 1851 CONECT 1889 1851 CONECT 1890 1850 CONECT 1891 1849 CONECT 1892 1848 CONECT 1893 1847 1894 1900 CONECT 1894 1893 1895 1899 CONECT 1895 1894 1896 1897 1898 CONECT 1896 1895 CONECT 1897 1895 CONECT 1898 1895 CONECT 1899 1894 CONECT 1900 1893 CONECT 1901 1847 CONECT 1902 1846 CONECT 1903 1846 CONECT 1904 1844 CONECT 1905 1843 1906 1908 1909 CONECT 1906 1905 1907 CONECT 1907 1906 CONECT 1908 1905 CONECT 1909 1905 CONECT 1910 1842 1911 1912 CONECT 1911 1910 CONECT 1912 1910 CONECT 1913 1841 CONECT 1914 1840 MASTER 0 0 0 0 0 0 0 0 1913 1 79 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1o4a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a07
RCSB PDB
PDBbind
107aa, >1A07_1|Chains... at 99%
1a08
RCSB PDB
PDBbind
107aa, >1A08_1|Chains... at 99%
1a09
RCSB PDB
PDBbind
107aa, >1A09_1|Chains... at 99%
1a1b
RCSB PDB
PDBbind
107aa, >1A1B_1|Chains... at 99%
1a1c
RCSB PDB
PDBbind
107aa, >1A1C_1|Chains... at 99%
1a1e
RCSB PDB
PDBbind
107aa, >1A1E_1|Chains... at 99%
1is0
RCSB PDB
PDBbind
106aa, >1IS0_1|Chains... at 97%
1nlp
RCSB PDB
PDBbind
64aa, >1NLP_1|Chain... at 93%
1nzl
RCSB PDB
PDBbind
103aa, >1NZL_1|Chains... at 97%
1nzv
RCSB PDB
PDBbind
103aa, >1NZV_1|Chains... at 97%
1o41
RCSB PDB
PDBbind
108aa, >1O41_1|Chain... at 100%
1o42
RCSB PDB
PDBbind
108aa, >1O42_1|Chain... at 100%
1o43
RCSB PDB
PDBbind
108aa, >1O43_1|Chain... at 100%
1o44
RCSB PDB
PDBbind
108aa, >1O44_1|Chain... at 100%
1o45
RCSB PDB
PDBbind
108aa, >1O45_1|Chain... at 100%
1o46
RCSB PDB
PDBbind
108aa, >1O46_1|Chain... at 100%
1o47
RCSB PDB
PDBbind
108aa, >1O47_1|Chain... at 100%
1o48
RCSB PDB
PDBbind
108aa, >1O48_1|Chain... at 100%
1o49
RCSB PDB
PDBbind
108aa, >1O49_1|Chain... at 100%
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
1o4a
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
proto-oncogene tyrosine-protein kinase src
Ligand Name
197
EC.Number
E.C.2.7.1.112
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
IC50=120nM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. v46 pp. 5184-95, 2003
Ligand Properties
Formula
C
3
2
H
3
5
N
3
O
6
Molecular Weight
557.637
Exact Mass
557.253
No. of atoms
76
No. of bonds
79
Polar Surface Area
136.04
LOGP Value
4.13 (
Computed with XLOGP3
)
4.01 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 6
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 4
Canonical SMILES
OCc1cc(ccc1C(=O)O)C[C@@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)NC(=O)C
InChI String
InChI=1S/C32H35N3O6/c1-21(37)33-29(18-23-12-15-27(32(40)41)26(17-23)20-36)30(38)34-28-9-5-6-16-35(31(28)39)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29,36H,5-6,9,16,18-20H2,1H3,(H,33,37)(H,34,38)(H,40,41)/t28-,29-/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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com