Browse entries in the PDBbind-CN Database
HEADER 1O49_COMPLEX COMPND 1O49_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 234 78 ATOM 1 N SER A 1 2.977 14.060 5.788 1.00 52.53 N ATOM 2 CA SER A 1 3.098 15.571 5.781 1.00 51.86 C ATOM 3 C SER A 1 3.116 16.161 7.211 1.00 50.67 C ATOM 4 O SER A 1 2.095 16.068 7.991 1.00 51.04 O ATOM 5 CB SER A 1 1.922 16.255 4.906 1.00 52.29 C ATOM 6 OG SER A 1 2.146 17.655 4.710 1.00 52.98 O ATOM 7 HA SER A 1 4.055 15.803 5.314 1.00 0.00 H ATOM 8 HB2 SER A 1 0.973 16.119 5.424 1.00 0.00 H ATOM 9 HB3 SER A 1 1.877 15.766 3.933 1.00 0.00 H ATOM 10 HG SER A 1 1.407 18.034 4.172 1.00 0.00 H ATOM 11 HN3 SER A 1 2.093 13.786 6.263 1.00 0.00 H ATOM 12 HN2 SER A 1 3.786 13.651 6.297 1.00 0.00 H ATOM 13 HN1 SER A 1 2.969 13.710 4.809 1.00 0.00 H ATOM 14 N ILE A 2 4.236 16.807 7.552 1.00 48.47 N ATOM 15 CA ILE A 2 4.391 17.383 8.891 1.00 45.90 C ATOM 16 C ILE A 2 3.347 18.475 9.151 1.00 43.62 C ATOM 17 O ILE A 2 2.858 18.592 10.212 1.00 43.86 O ATOM 18 CB ILE A 2 5.866 17.816 9.162 1.00 45.10 C ATOM 19 CG1 ILE A 2 6.125 19.106 8.596 1.00 45.14 C ATOM 20 CG2 ILE A 2 6.821 16.781 8.538 1.00 44.72 C ATOM 21 CD1 ILE A 2 7.577 19.423 8.527 1.00 46.20 C ATOM 22 HA ILE A 2 4.186 16.609 9.631 1.00 0.00 H ATOM 23 HB ILE A 2 6.025 17.870 10.239 1.00 0.00 H ATOM 24 HG12 ILE A 2 5.714 19.133 7.587 1.00 0.00 H ATOM 25 HG13 ILE A 2 5.632 19.861 9.208 1.00 0.00 H ATOM 26 HD11 ILE A 2 7.999 19.408 9.532 1.00 0.00 H ATOM 27 HD12 ILE A 2 8.081 18.680 7.909 1.00 0.00 H ATOM 28 HD13 ILE A 2 7.711 20.412 8.090 1.00 0.00 H ATOM 29 HG21 ILE A 2 6.638 15.804 8.985 1.00 0.00 H ATOM 30 HG22 ILE A 2 6.646 16.729 7.463 1.00 0.00 H ATOM 31 HG23 ILE A 2 7.852 17.081 8.726 1.00 0.00 H ATOM 32 H ILE A 2 5.006 16.902 6.859 1.00 0.00 H ATOM 33 N GLN A 3 2.975 19.238 8.138 1.00 41.88 N ATOM 34 CA GLN A 3 1.921 20.248 8.305 1.00 39.95 C ATOM 35 C GLN A 3 0.649 19.605 8.927 1.00 37.10 C ATOM 36 O GLN A 3 -0.078 20.248 9.606 1.00 37.12 O ATOM 37 CB GLN A 3 1.540 20.986 6.822 1.00 41.84 C ATOM 38 CG GLN A 3 2.405 22.297 6.461 1.00 45.22 C ATOM 39 CD GLN A 3 3.900 22.004 6.245 1.00 47.09 C ATOM 40 OE1 GLN A 3 4.775 22.668 6.803 1.00 47.75 O ATOM 41 NE2 GLN A 3 4.189 21.021 5.397 1.00 48.89 N ATOM 42 HA GLN A 3 2.295 21.017 8.981 1.00 0.00 H ATOM 43 HB2 GLN A 3 1.695 20.252 6.031 1.00 0.00 H ATOM 44 HB3 GLN A 3 0.489 21.273 6.849 1.00 0.00 H ATOM 45 HG2 GLN A 3 2.003 22.735 5.547 1.00 0.00 H ATOM 46 HG3 GLN A 3 2.307 23.011 7.279 1.00 0.00 H ATOM 47 HE22 GLN A 3 3.423 20.482 4.945 1.00 0.00 H ATOM 48 HE21 GLN A 3 5.181 20.791 5.186 1.00 0.00 H ATOM 49 H GLN A 3 3.434 19.122 7.212 1.00 0.00 H ATOM 50 N ALA A 4 0.426 18.314 8.690 1.00 34.00 N ATOM 51 CA ALA A 4 -0.757 17.621 9.200 1.00 30.90 C ATOM 52 C ALA A 4 -0.662 17.229 10.659 1.00 28.48 C ATOM 53 O ALA A 4 -1.660 16.920 11.282 1.00 28.28 O ATOM 54 CB ALA A 4 -1.007 16.360 8.381 1.00 31.86 C ATOM 55 HA ALA A 4 -1.578 18.332 9.110 1.00 0.00 H ATOM 56 HB1 ALA A 4 -1.169 16.632 7.338 1.00 0.00 H ATOM 57 HB2 ALA A 4 -0.141 15.702 8.456 1.00 0.00 H ATOM 58 HB3 ALA A 4 -1.889 15.848 8.765 1.00 0.00 H ATOM 59 H ALA A 4 1.116 17.780 8.123 1.00 0.00 H ATOM 60 N GLU A 5 0.534 17.258 11.215 1.00 24.26 N ATOM 61 CA GLU A 5 0.714 16.857 12.586 1.00 21.87 C ATOM 62 C GLU A 5 0.261 17.858 13.596 1.00 19.32 C ATOM 63 O GLU A 5 0.591 19.022 13.528 1.00 17.81 O ATOM 64 CB GLU A 5 2.165 16.516 12.808 1.00 24.37 C ATOM 65 CG GLU A 5 2.675 15.373 11.767 1.00 25.84 C ATOM 66 CD GLU A 5 1.956 14.076 12.046 1.00 26.57 C ATOM 67 OE1 GLU A 5 1.779 13.292 11.090 1.00 27.74 O ATOM 68 OE2 GLU A 5 1.567 13.850 13.219 1.00 24.66 O ATOM 69 HA GLU A 5 0.073 15.989 12.740 1.00 0.00 H ATOM 70 HB2 GLU A 5 2.766 17.415 12.670 1.00 0.00 H ATOM 71 HB3 GLU A 5 2.291 16.149 13.827 1.00 0.00 H ATOM 72 HG2 GLU A 5 2.465 15.692 10.746 1.00 0.00 H ATOM 73 HG3 GLU A 5 3.748 15.226 11.887 1.00 0.00 H ATOM 74 H GLU A 5 1.354 17.573 10.658 1.00 0.00 H ATOM 75 N GLU A 6 -0.507 17.371 14.556 1.00 16.95 N ATOM 76 CA GLU A 6 -1.011 18.257 15.618 1.00 16.81 C ATOM 77 C GLU A 6 0.122 18.897 16.502 1.00 15.01 C ATOM 78 O GLU A 6 -0.110 19.950 17.084 1.00 15.17 O ATOM 79 CB GLU A 6 -2.095 17.539 16.569 1.00 16.46 C ATOM 80 CG GLU A 6 -1.577 16.535 17.506 1.00 14.45 C ATOM 81 CD GLU A 6 -1.418 15.145 16.917 1.00 13.97 C ATOM 82 OE1 GLU A 6 -1.122 14.284 17.740 1.00 16.42 O ATOM 83 OE2 GLU A 6 -1.584 14.883 15.701 1.00 12.61 O ATOM 84 HA GLU A 6 -1.502 19.065 15.075 1.00 0.00 H ATOM 85 HB2 GLU A 6 -2.589 18.315 17.154 1.00 0.00 H ATOM 86 HB3 GLU A 6 -2.826 17.048 15.927 1.00 0.00 H ATOM 87 HG2 GLU A 6 -0.601 16.869 17.858 1.00 0.00 H ATOM 88 HG3 GLU A 6 -2.264 16.471 18.350 1.00 0.00 H ATOM 89 H GLU A 6 -0.755 16.361 14.561 1.00 0.00 H ATOM 90 N TRP A 7 1.270 18.215 16.630 1.00 13.10 N ATOM 91 CA TRP A 7 2.436 18.734 17.391 1.00 13.69 C ATOM 92 C TRP A 7 3.323 19.639 16.524 1.00 13.56 C ATOM 93 O TRP A 7 4.328 20.216 17.011 1.00 13.92 O ATOM 94 CB TRP A 7 3.242 17.683 17.958 1.00 12.92 C ATOM 95 CG TRP A 7 3.420 16.474 17.071 1.00 14.20 C ATOM 96 CD1 TRP A 7 2.785 15.264 17.206 1.00 14.33 C ATOM 97 CD2 TRP A 7 4.354 16.310 15.975 1.00 13.65 C ATOM 98 NE1 TRP A 7 3.266 14.368 16.283 1.00 13.39 N ATOM 99 CE2 TRP A 7 4.228 14.979 15.526 1.00 14.94 C ATOM 100 CE3 TRP A 7 5.279 17.170 15.332 1.00 15.03 C ATOM 101 CZ2 TRP A 7 4.985 14.476 14.466 1.00 17.21 C ATOM 102 CZ3 TRP A 7 6.017 16.688 14.291 1.00 16.35 C ATOM 103 CH2 TRP A 7 5.869 15.345 13.862 1.00 16.87 C ATOM 104 HA TRP A 7 2.014 19.319 18.208 1.00 0.00 H ATOM 105 HB2 TRP A 7 4.228 18.092 18.177 1.00 0.00 H ATOM 106 HB3 TRP A 7 2.771 17.357 18.886 1.00 0.00 H ATOM 107 HE1 TRP A 7 2.950 13.383 16.177 1.00 0.00 H ATOM 108 HD1 TRP A 7 2.010 15.046 17.941 1.00 0.00 H ATOM 109 HZ2 TRP A 7 4.882 13.444 14.131 1.00 0.00 H ATOM 110 HH2 TRP A 7 6.473 14.988 13.028 1.00 0.00 H ATOM 111 HZ3 TRP A 7 6.727 17.342 13.784 1.00 0.00 H ATOM 112 HE3 TRP A 7 5.399 18.201 15.664 1.00 0.00 H ATOM 113 H TRP A 7 1.347 17.282 16.177 1.00 0.00 H ATOM 114 N TYR A 8 2.969 19.798 15.260 1.00 13.41 N ATOM 115 CA TYR A 8 3.770 20.671 14.402 1.00 15.95 C ATOM 116 C TYR A 8 3.143 22.065 14.466 1.00 16.10 C ATOM 117 O TYR A 8 2.039 22.277 13.945 1.00 16.53 O ATOM 118 CB TYR A 8 3.782 20.188 12.927 1.00 17.63 C ATOM 119 CG TYR A 8 4.690 21.034 12.098 1.00 19.99 C ATOM 120 CD1 TYR A 8 6.013 21.175 12.476 1.00 21.31 C ATOM 121 CD2 TYR A 8 4.224 21.774 11.006 1.00 20.92 C ATOM 122 CE1 TYR A 8 6.872 22.033 11.813 1.00 22.69 C ATOM 123 CE2 TYR A 8 5.081 22.632 10.319 1.00 21.84 C ATOM 124 CZ TYR A 8 6.410 22.753 10.734 1.00 23.03 C ATOM 125 OH TYR A 8 7.358 23.544 10.087 1.00 24.17 O ATOM 126 HA TYR A 8 4.802 20.667 14.752 1.00 0.00 H ATOM 127 HB3 TYR A 8 2.771 20.247 12.523 1.00 0.00 H ATOM 128 HB2 TYR A 8 4.126 19.154 12.892 1.00 0.00 H ATOM 129 HD2 TYR A 8 3.185 21.679 10.691 1.00 0.00 H ATOM 130 HE2 TYR A 8 4.718 23.204 9.465 1.00 0.00 H ATOM 131 HE1 TYR A 8 7.906 22.138 12.142 1.00 0.00 H ATOM 132 HD1 TYR A 8 6.389 20.595 13.319 1.00 0.00 H ATOM 133 HH TYR A 8 7.057 24.487 10.090 1.00 0.00 H ATOM 134 H TYR A 8 2.133 19.309 14.881 1.00 0.00 H ATOM 135 N PHE A 9 3.841 23.027 15.042 1.00 15.81 N ATOM 136 CA PHE A 9 3.306 24.383 15.187 1.00 15.52 C ATOM 137 C PHE A 9 3.832 25.321 14.122 1.00 17.63 C ATOM 138 O PHE A 9 3.585 26.503 14.192 1.00 17.93 O ATOM 139 CB PHE A 9 3.631 24.957 16.579 1.00 16.35 C ATOM 140 CG PHE A 9 2.734 24.425 17.667 1.00 16.49 C ATOM 141 CD1 PHE A 9 2.363 23.088 17.695 1.00 16.65 C ATOM 142 CD2 PHE A 9 2.303 25.253 18.685 1.00 18.43 C ATOM 143 CE1 PHE A 9 1.567 22.569 18.762 1.00 15.93 C ATOM 144 CE2 PHE A 9 1.504 24.754 19.755 1.00 18.67 C ATOM 145 CZ PHE A 9 1.153 23.416 19.780 1.00 18.48 C ATOM 146 HA PHE A 9 2.225 24.305 15.069 1.00 0.00 H ATOM 147 HB2 PHE A 9 4.662 24.704 16.826 1.00 0.00 H ATOM 148 HB3 PHE A 9 3.523 26.041 16.540 1.00 0.00 H ATOM 149 HD2 PHE A 9 2.579 26.307 18.670 1.00 0.00 H ATOM 150 HE2 PHE A 9 1.172 25.423 20.549 1.00 0.00 H ATOM 151 HZ PHE A 9 0.550 23.027 20.601 1.00 0.00 H ATOM 152 HE1 PHE A 9 1.287 21.516 18.776 1.00 0.00 H ATOM 153 HD1 PHE A 9 2.683 22.425 16.892 1.00 0.00 H ATOM 154 H PHE A 9 4.794 22.817 15.401 1.00 0.00 H ATOM 155 N GLY A 10 4.617 24.783 13.180 1.00 18.03 N ATOM 156 CA GLY A 10 5.109 25.577 12.080 1.00 18.21 C ATOM 157 C GLY A 10 5.895 26.815 12.438 1.00 19.27 C ATOM 158 O GLY A 10 6.820 26.808 13.267 1.00 17.99 O ATOM 159 HA3 GLY A 10 4.249 25.891 11.488 1.00 0.00 H ATOM 160 HA2 GLY A 10 5.753 24.940 11.474 1.00 0.00 H ATOM 161 H GLY A 10 4.876 23.778 13.242 1.00 0.00 H ATOM 162 N LYS A 11 5.451 27.930 11.891 1.00 20.20 N ATOM 163 CA LYS A 11 6.221 29.134 12.088 1.00 22.90 C ATOM 164 C LYS A 11 5.920 29.956 13.311 1.00 22.48 C ATOM 165 O LYS A 11 5.194 30.946 13.182 1.00 24.40 O ATOM 166 CB LYS A 11 6.126 30.011 10.804 1.00 24.99 C ATOM 167 CG LYS A 11 7.092 31.098 10.749 1.00 27.95 C ATOM 168 CD LYS A 11 6.646 31.985 9.493 1.00 29.79 C ATOM 169 CE LYS A 11 7.811 33.094 9.521 1.00 31.55 C ATOM 170 NZ LYS A 11 7.341 34.327 8.792 1.00 30.33 N ATOM 171 HA LYS A 11 7.236 28.783 12.276 1.00 0.00 H ATOM 172 HB2 LYS A 11 6.285 29.368 9.938 1.00 0.00 H ATOM 173 HB3 LYS A 11 5.125 30.440 10.757 1.00 0.00 H ATOM 174 HG2 LYS A 11 7.059 31.687 11.666 1.00 0.00 H ATOM 175 HG3 LYS A 11 8.100 30.709 10.605 1.00 0.00 H ATOM 176 HD2 LYS A 11 6.653 31.411 8.567 1.00 0.00 H ATOM 177 HD3 LYS A 11 5.660 32.427 9.637 1.00 0.00 H ATOM 178 HE2 LYS A 11 8.702 32.699 9.033 1.00 0.00 H ATOM 179 HE3 LYS A 11 8.047 33.349 10.554 1.00 0.00 H ATOM 180 HZ1 LYS A 11 7.116 34.081 7.807 1.00 0.00 H ATOM 181 HZ2 LYS A 11 6.491 34.702 9.259 1.00 0.00 H ATOM 182 HZ3 LYS A 11 8.093 35.046 8.809 1.00 0.00 H ATOM 183 H LYS A 11 4.572 27.941 11.335 1.00 0.00 H ATOM 184 N ILE A 12 6.314 29.493 14.507 1.00 20.96 N ATOM 185 CA ILE A 12 6.130 30.334 15.726 1.00 18.44 C ATOM 186 C ILE A 12 7.506 30.611 16.269 1.00 17.53 C ATOM 187 O ILE A 12 8.422 29.884 15.929 1.00 16.69 O ATOM 188 CB ILE A 12 5.236 29.744 16.808 1.00 18.85 C ATOM 189 CG1 ILE A 12 5.813 28.443 17.354 1.00 18.26 C ATOM 190 CG2 ILE A 12 3.806 29.648 16.274 1.00 20.75 C ATOM 191 CD1 ILE A 12 5.215 28.108 18.662 1.00 15.25 C ATOM 192 HA ILE A 12 5.599 31.238 15.426 1.00 0.00 H ATOM 193 HB ILE A 12 5.198 30.400 17.678 1.00 0.00 H ATOM 194 HG12 ILE A 12 5.606 27.637 16.650 1.00 0.00 H ATOM 195 HG13 ILE A 12 6.891 28.552 17.472 1.00 0.00 H ATOM 196 HD11 ILE A 12 5.424 28.909 19.371 1.00 0.00 H ATOM 197 HD12 ILE A 12 4.137 27.993 18.548 1.00 0.00 H ATOM 198 HD13 ILE A 12 5.645 27.176 19.028 1.00 0.00 H ATOM 199 HG21 ILE A 12 3.452 30.643 16.006 1.00 0.00 H ATOM 200 HG22 ILE A 12 3.791 29.006 15.393 1.00 0.00 H ATOM 201 HG23 ILE A 12 3.160 29.226 17.044 1.00 0.00 H ATOM 202 H ILE A 12 6.747 28.550 14.584 1.00 0.00 H ATOM 203 N THR A 13 7.688 31.680 17.039 1.00 15.27 N ATOM 204 CA THR A 13 9.017 32.011 17.506 1.00 15.26 C ATOM 205 C THR A 13 9.382 31.168 18.744 1.00 16.12 C ATOM 206 O THR A 13 8.504 30.511 19.391 1.00 14.85 O ATOM 207 CB THR A 13 9.109 33.485 17.997 1.00 15.12 C ATOM 208 OG1 THR A 13 8.121 33.671 19.025 1.00 14.81 O ATOM 209 CG2 THR A 13 8.848 34.517 16.825 1.00 16.31 C ATOM 210 HA THR A 13 9.679 31.829 16.660 1.00 0.00 H ATOM 211 HB THR A 13 10.115 33.668 18.373 1.00 0.00 H ATOM 212 HG1 THR A 13 7.222 33.488 18.654 1.00 0.00 H ATOM 213 HG23 THR A 13 9.597 34.376 16.045 1.00 0.00 H ATOM 214 HG21 THR A 13 7.854 34.350 16.410 1.00 0.00 H ATOM 215 HG22 THR A 13 8.914 35.533 17.215 1.00 0.00 H ATOM 216 H THR A 13 6.878 32.276 17.305 1.00 0.00 H ATOM 217 N ARG A 14 10.666 31.257 19.102 1.00 15.71 N ATOM 218 CA ARG A 14 11.176 30.597 20.274 1.00 16.01 C ATOM 219 C ARG A 14 10.460 31.144 21.505 1.00 16.08 C ATOM 220 O ARG A 14 10.051 30.368 22.406 1.00 15.23 O ATOM 221 CB ARG A 14 12.650 30.861 20.377 1.00 17.19 C ATOM 222 CG ARG A 14 13.221 30.558 21.734 1.00 21.50 C ATOM 223 CD ARG A 14 14.634 31.035 21.570 1.00 25.34 C ATOM 224 NE ARG A 14 15.436 30.373 22.574 1.00 30.20 N ATOM 225 CZ ARG A 14 16.286 29.374 22.324 1.00 31.88 C ATOM 226 NH1 ARG A 14 16.946 28.831 23.336 1.00 32.20 N ATOM 227 NH2 ARG A 14 16.561 28.977 21.069 1.00 31.61 N ATOM 228 HA ARG A 14 11.005 29.523 20.208 1.00 0.00 H ATOM 229 HB2 ARG A 14 13.164 30.243 19.641 1.00 0.00 H ATOM 230 HB3 ARG A 14 12.829 31.913 20.154 1.00 0.00 H ATOM 231 HG2 ARG A 14 12.702 31.109 22.518 1.00 0.00 H ATOM 232 HG3 ARG A 14 13.182 29.491 21.955 1.00 0.00 H ATOM 233 HD2 ARG A 14 14.681 32.115 21.709 1.00 0.00 H ATOM 234 HD3 ARG A 14 14.999 30.782 20.575 1.00 0.00 H ATOM 235 HE ARG A 14 15.345 30.697 23.558 1.00 0.00 H ATOM 236 HH12 ARG A 14 17.613 28.052 23.164 1.00 0.00 H ATOM 237 HH11 ARG A 14 16.797 29.184 24.303 1.00 0.00 H ATOM 238 HH22 ARG A 14 17.228 28.196 20.905 1.00 0.00 H ATOM 239 HH21 ARG A 14 16.107 29.451 20.262 1.00 0.00 H ATOM 240 H ARG A 14 11.316 31.820 18.516 1.00 0.00 H ATOM 241 N ARG A 15 10.296 32.472 21.584 1.00 16.05 N ATOM 242 CA ARG A 15 9.639 33.089 22.743 1.00 16.11 C ATOM 243 C ARG A 15 8.199 32.567 22.907 1.00 15.57 C ATOM 244 O ARG A 15 7.794 32.238 23.982 1.00 16.26 O ATOM 245 CB ARG A 15 9.649 34.672 22.602 1.00 17.37 C ATOM 246 CG ARG A 15 8.887 35.381 23.786 1.00 19.38 C ATOM 247 CD ARG A 15 8.994 36.871 23.806 1.00 21.69 C ATOM 248 NE ARG A 15 8.270 37.515 24.924 1.00 22.31 N ATOM 249 CZ ARG A 15 8.772 37.721 26.161 1.00 23.64 C ATOM 250 NH1 ARG A 15 10.012 37.334 26.484 1.00 22.66 N ATOM 251 NH2 ARG A 15 8.031 38.349 27.076 1.00 24.20 N ATOM 252 HA ARG A 15 10.197 32.814 23.638 1.00 0.00 H ATOM 253 HB2 ARG A 15 10.683 35.017 22.593 1.00 0.00 H ATOM 254 HB3 ARG A 15 9.168 34.944 21.662 1.00 0.00 H ATOM 255 HG2 ARG A 15 7.831 35.119 23.714 1.00 0.00 H ATOM 256 HG3 ARG A 15 9.291 35.000 24.724 1.00 0.00 H ATOM 257 HD2 ARG A 15 8.590 37.256 22.870 1.00 0.00 H ATOM 258 HD3 ARG A 15 10.048 37.138 23.882 1.00 0.00 H ATOM 259 HE ARG A 15 7.297 37.835 24.743 1.00 0.00 H ATOM 260 HH12 ARG A 15 10.376 37.504 27.443 1.00 0.00 H ATOM 261 HH11 ARG A 15 10.611 36.864 25.776 1.00 0.00 H ATOM 262 HH22 ARG A 15 8.411 38.511 28.031 1.00 0.00 H ATOM 263 HH21 ARG A 15 7.074 38.676 26.835 1.00 0.00 H ATOM 264 H ARG A 15 10.640 33.076 20.811 1.00 0.00 H ATOM 265 N GLU A 16 7.457 32.494 21.806 1.00 15.41 N ATOM 266 CA GLU A 16 6.088 32.036 21.817 1.00 15.71 C ATOM 267 C GLU A 16 6.072 30.589 22.250 1.00 15.65 C ATOM 268 O GLU A 16 5.178 30.198 23.071 1.00 14.45 O ATOM 269 CB GLU A 16 5.430 32.156 20.358 1.00 17.80 C ATOM 270 CG GLU A 16 4.023 31.608 20.238 1.00 19.92 C ATOM 271 CD GLU A 16 2.960 32.289 21.125 1.00 21.76 C ATOM 272 OE1 GLU A 16 1.758 31.952 20.880 1.00 24.04 O ATOM 273 OE2 GLU A 16 3.285 33.146 22.010 1.00 21.23 O ATOM 274 HA GLU A 16 5.512 32.654 22.505 1.00 0.00 H ATOM 275 HB2 GLU A 16 5.406 33.211 20.084 1.00 0.00 H ATOM 276 HB3 GLU A 16 6.064 31.614 19.656 1.00 0.00 H ATOM 277 HG2 GLU A 16 3.710 31.714 19.199 1.00 0.00 H ATOM 278 HG3 GLU A 16 4.052 30.551 20.502 1.00 0.00 H ATOM 279 H GLU A 16 7.880 32.779 20.900 1.00 0.00 H ATOM 280 N SER A 17 7.001 29.772 21.708 1.00 13.90 N ATOM 281 CA SER A 17 7.028 28.376 22.145 1.00 12.90 C ATOM 282 C SER A 17 7.200 28.299 23.643 1.00 13.44 C ATOM 283 O SER A 17 6.611 27.356 24.315 1.00 13.37 O ATOM 284 CB SER A 17 8.094 27.596 21.427 1.00 12.96 C ATOM 285 OG SER A 17 9.385 27.855 21.952 1.00 14.24 O ATOM 286 HA SER A 17 6.072 27.919 21.888 1.00 0.00 H ATOM 287 HB2 SER A 17 8.081 27.870 20.372 1.00 0.00 H ATOM 288 HB3 SER A 17 7.880 26.532 21.527 1.00 0.00 H ATOM 289 HG SER A 17 9.591 28.819 21.859 1.00 0.00 H ATOM 290 H SER A 17 7.677 30.125 21.001 1.00 0.00 H ATOM 291 N GLU A 18 8.032 29.201 24.211 1.00 13.25 N ATOM 292 CA GLU A 18 8.260 29.257 25.671 1.00 13.90 C ATOM 293 C GLU A 18 7.032 29.725 26.423 1.00 14.51 C ATOM 294 O GLU A 18 6.646 29.141 27.423 1.00 15.05 O ATOM 295 CB GLU A 18 9.506 30.136 26.032 1.00 14.64 C ATOM 296 CG GLU A 18 10.775 29.482 25.485 1.00 17.16 C ATOM 297 CD GLU A 18 12.021 30.335 25.600 1.00 20.80 C ATOM 298 OE1 GLU A 18 13.135 29.806 25.579 1.00 19.76 O ATOM 299 OE2 GLU A 18 11.917 31.560 25.658 1.00 23.46 O ATOM 300 HA GLU A 18 8.469 28.236 25.990 1.00 0.00 H ATOM 301 HB2 GLU A 18 9.390 31.127 25.592 1.00 0.00 H ATOM 302 HB3 GLU A 18 9.583 30.227 27.115 1.00 0.00 H ATOM 303 HG2 GLU A 18 10.945 28.556 26.034 1.00 0.00 H ATOM 304 HG3 GLU A 18 10.614 29.254 24.431 1.00 0.00 H ATOM 305 H GLU A 18 8.529 29.879 23.599 1.00 0.00 H ATOM 306 N ARG A 19 6.347 30.703 25.868 1.00 14.44 N ATOM 307 CA ARG A 19 5.159 31.189 26.514 1.00 16.03 C ATOM 308 C ARG A 19 4.122 30.023 26.635 1.00 15.95 C ATOM 309 O ARG A 19 3.458 29.832 27.686 1.00 17.80 O ATOM 310 CB ARG A 19 4.546 32.340 25.651 1.00 16.73 C ATOM 311 CG ARG A 19 3.356 33.200 26.421 1.00 17.73 C ATOM 312 CD ARG A 19 2.611 34.114 25.507 1.00 17.84 C ATOM 313 NE ARG A 19 2.003 33.406 24.376 1.00 19.63 N ATOM 314 CZ ARG A 19 0.808 32.842 24.391 1.00 20.64 C ATOM 315 NH1 ARG A 19 0.081 32.850 25.499 1.00 23.88 N ATOM 316 NH2 ARG A 19 0.230 32.456 23.266 1.00 21.32 N ATOM 317 HA ARG A 19 5.404 31.563 27.508 1.00 0.00 H ATOM 318 HB2 ARG A 19 5.346 33.029 25.380 1.00 0.00 H ATOM 319 HB3 ARG A 19 4.123 31.903 24.747 1.00 0.00 H ATOM 320 HG2 ARG A 19 2.649 32.497 26.861 1.00 0.00 H ATOM 321 HG3 ARG A 19 3.814 33.796 27.211 1.00 0.00 H ATOM 322 HD2 ARG A 19 3.303 34.862 25.120 1.00 0.00 H ATOM 323 HD3 ARG A 19 1.823 34.609 26.074 1.00 0.00 H ATOM 324 HE ARG A 19 2.554 33.343 23.496 1.00 0.00 H ATOM 325 HH12 ARG A 19 -0.859 32.405 25.507 1.00 0.00 H ATOM 326 HH11 ARG A 19 0.451 33.301 26.360 1.00 0.00 H ATOM 327 HH22 ARG A 19 -0.711 32.013 23.290 1.00 0.00 H ATOM 328 HH21 ARG A 19 0.716 32.595 22.357 1.00 0.00 H ATOM 329 H ARG A 19 6.663 31.120 24.969 1.00 0.00 H ATOM 330 N LEU A 20 4.013 29.233 25.581 1.00 14.63 N ATOM 331 CA LEU A 20 3.051 28.142 25.545 1.00 14.47 C ATOM 332 C LEU A 20 3.492 27.013 26.438 1.00 14.04 C ATOM 333 O LEU A 20 2.670 26.400 27.168 1.00 14.00 O ATOM 334 CB LEU A 20 2.890 27.618 24.164 1.00 14.13 C ATOM 335 CG LEU A 20 2.292 28.529 23.100 1.00 16.12 C ATOM 336 CD1 LEU A 20 2.380 27.766 21.788 1.00 16.17 C ATOM 337 CD2 LEU A 20 0.849 28.924 23.477 1.00 15.66 C ATOM 338 HA LEU A 20 2.099 28.539 25.896 1.00 0.00 H ATOM 339 HB2 LEU A 20 3.880 27.324 23.815 1.00 0.00 H ATOM 340 HB3 LEU A 20 2.252 26.737 24.228 1.00 0.00 H ATOM 341 HG LEU A 20 2.833 29.471 23.011 1.00 0.00 H ATOM 342 HD21 LEU A 20 0.237 28.025 23.560 1.00 0.00 H ATOM 343 HD22 LEU A 20 0.855 29.450 24.432 1.00 0.00 H ATOM 344 HD23 LEU A 20 0.438 29.575 22.705 1.00 0.00 H ATOM 345 HD11 LEU A 20 3.424 27.541 21.570 1.00 0.00 H ATOM 346 HD12 LEU A 20 1.816 26.837 21.871 1.00 0.00 H ATOM 347 HD13 LEU A 20 1.963 28.375 20.986 1.00 0.00 H ATOM 348 H LEU A 20 4.629 29.395 24.759 1.00 0.00 H ATOM 349 N LEU A 21 4.783 26.746 26.457 1.00 12.33 N ATOM 350 CA LEU A 21 5.224 25.626 27.290 1.00 13.39 C ATOM 351 C LEU A 21 5.353 25.910 28.811 1.00 14.48 C ATOM 352 O LEU A 21 5.347 24.977 29.601 1.00 14.44 O ATOM 353 CB LEU A 21 6.603 25.046 26.692 1.00 11.56 C ATOM 354 CG LEU A 21 6.398 24.381 25.304 1.00 10.49 C ATOM 355 CD1 LEU A 21 7.715 24.382 24.595 1.00 12.28 C ATOM 356 CD2 LEU A 21 5.814 22.940 25.439 1.00 10.67 C ATOM 357 HA LEU A 21 4.423 24.888 27.241 1.00 0.00 H ATOM 358 HB2 LEU A 21 7.315 25.865 26.589 1.00 0.00 H ATOM 359 HB3 LEU A 21 7.003 24.304 27.383 1.00 0.00 H ATOM 360 HG LEU A 21 5.668 24.946 24.725 1.00 0.00 H ATOM 361 HD21 LEU A 21 6.501 22.324 26.019 1.00 0.00 H ATOM 362 HD22 LEU A 21 4.850 22.986 25.945 1.00 0.00 H ATOM 363 HD23 LEU A 21 5.685 22.507 24.447 1.00 0.00 H ATOM 364 HD11 LEU A 21 8.061 25.409 24.475 1.00 0.00 H ATOM 365 HD12 LEU A 21 8.442 23.819 25.180 1.00 0.00 H ATOM 366 HD13 LEU A 21 7.599 23.919 23.615 1.00 0.00 H ATOM 367 H LEU A 21 5.460 27.308 25.903 1.00 0.00 H ATOM 368 N LEU A 22 5.488 27.185 29.201 1.00 16.22 N ATOM 369 CA LEU A 22 5.662 27.533 30.599 1.00 17.45 C ATOM 370 C LEU A 22 4.359 27.709 31.229 1.00 18.51 C ATOM 371 O LEU A 22 4.144 28.678 31.792 1.00 21.57 O ATOM 372 CB LEU A 22 6.436 28.794 30.751 1.00 17.74 C ATOM 373 CG LEU A 22 7.902 28.749 30.335 1.00 18.16 C ATOM 374 CD1 LEU A 22 8.450 30.224 30.242 1.00 19.11 C ATOM 375 CD2 LEU A 22 8.711 27.815 31.283 1.00 19.58 C ATOM 376 HA LEU A 22 6.211 26.722 31.077 1.00 0.00 H ATOM 377 HB2 LEU A 22 5.945 29.559 30.149 1.00 0.00 H ATOM 378 HB3 LEU A 22 6.399 29.081 31.802 1.00 0.00 H ATOM 379 HG LEU A 22 8.016 28.309 29.344 1.00 0.00 H ATOM 380 HD21 LEU A 22 8.644 28.190 32.304 1.00 0.00 H ATOM 381 HD22 LEU A 22 8.299 26.807 31.237 1.00 0.00 H ATOM 382 HD23 LEU A 22 9.755 27.797 30.969 1.00 0.00 H ATOM 383 HD11 LEU A 22 7.873 30.779 29.502 1.00 0.00 H ATOM 384 HD12 LEU A 22 8.356 30.707 31.215 1.00 0.00 H ATOM 385 HD13 LEU A 22 9.499 30.203 29.945 1.00 0.00 H ATOM 386 H LEU A 22 5.468 27.941 28.487 1.00 0.00 H ATOM 387 N ASN A 23 3.444 26.797 30.981 1.00 18.13 N ATOM 388 CA ASN A 23 2.122 26.850 31.598 1.00 17.78 C ATOM 389 C ASN A 23 2.203 25.809 32.756 1.00 17.42 C ATOM 390 O ASN A 23 2.664 24.659 32.539 1.00 16.72 O ATOM 391 CB ASN A 23 1.184 26.464 30.563 1.00 18.64 C ATOM 392 CG ASN A 23 -0.250 26.375 31.053 1.00 22.17 C ATOM 393 OD1 ASN A 23 -0.558 25.994 32.212 1.00 19.15 O ATOM 394 ND2 ASN A 23 -1.158 26.665 30.134 1.00 25.26 N ATOM 395 HA ASN A 23 1.812 27.818 31.991 1.00 0.00 H ATOM 396 HB2 ASN A 23 1.231 27.201 29.761 1.00 0.00 H ATOM 397 HB3 ASN A 23 1.478 25.489 30.176 1.00 0.00 H ATOM 398 HD22 ASN A 23 -0.859 26.977 29.188 1.00 0.00 H ATOM 399 HD21 ASN A 23 -2.170 26.581 30.358 1.00 0.00 H ATOM 400 H ASN A 23 3.668 26.018 30.329 1.00 0.00 H ATOM 401 N ALA A 24 1.871 26.218 34.006 1.00 17.31 N ATOM 402 CA ALA A 24 1.937 25.379 35.184 1.00 16.97 C ATOM 403 C ALA A 24 1.211 24.057 35.010 1.00 16.19 C ATOM 404 O ALA A 24 1.481 23.133 35.755 1.00 16.89 O ATOM 405 CB ALA A 24 1.356 26.127 36.373 1.00 17.79 C ATOM 406 HA ALA A 24 2.988 25.146 35.354 1.00 0.00 H ATOM 407 HB1 ALA A 24 1.930 27.038 36.543 1.00 0.00 H ATOM 408 HB2 ALA A 24 0.317 26.383 36.167 1.00 0.00 H ATOM 409 HB3 ALA A 24 1.407 25.494 37.259 1.00 0.00 H ATOM 410 H ALA A 24 1.548 27.199 34.126 1.00 0.00 H ATOM 411 N GLU A 25 0.217 24.022 34.121 1.00 15.17 N ATOM 412 CA GLU A 25 -0.544 22.816 33.845 1.00 16.00 C ATOM 413 C GLU A 25 0.191 21.785 32.994 1.00 14.58 C ATOM 414 O GLU A 25 -0.218 20.602 32.963 1.00 14.13 O ATOM 415 CB GLU A 25 -1.796 23.130 33.226 1.00 17.83 C ATOM 416 CG GLU A 25 -2.767 23.662 34.311 1.00 21.90 C ATOM 417 CD GLU A 25 -4.140 23.998 33.745 1.00 24.79 C ATOM 418 OE1 GLU A 25 -4.883 24.733 34.439 1.00 25.74 O ATOM 419 OE2 GLU A 25 -4.458 23.554 32.612 1.00 27.20 O ATOM 420 HA GLU A 25 -0.704 22.360 34.822 1.00 0.00 H ATOM 421 HB2 GLU A 25 -1.647 23.892 32.461 1.00 0.00 H ATOM 422 HB3 GLU A 25 -2.214 22.234 32.767 1.00 0.00 H ATOM 423 HG2 GLU A 25 -2.882 22.900 35.082 1.00 0.00 H ATOM 424 HG3 GLU A 25 -2.340 24.562 34.753 1.00 0.00 H ATOM 425 H GLU A 25 -0.023 24.893 33.605 1.00 0.00 H ATOM 426 N ASN A 26 1.341 22.178 32.448 1.00 11.97 N ATOM 427 CA ASN A 26 2.067 21.250 31.561 1.00 11.69 C ATOM 428 C ASN A 26 2.978 20.311 32.325 1.00 11.04 C ATOM 429 O ASN A 26 3.871 20.756 33.039 1.00 12.70 O ATOM 430 CB ASN A 26 2.947 21.973 30.552 1.00 9.30 C ATOM 431 CG ASN A 26 2.148 22.731 29.494 1.00 10.68 C ATOM 432 OD1 ASN A 26 1.019 22.376 29.197 1.00 10.14 O ATOM 433 ND2 ASN A 26 2.801 23.704 28.824 1.00 11.29 N ATOM 434 HA ASN A 26 1.279 20.694 31.053 1.00 0.00 H ATOM 435 HB2 ASN A 26 3.576 22.684 31.087 1.00 0.00 H ATOM 436 HB3 ASN A 26 3.577 21.238 30.051 1.00 0.00 H ATOM 437 HD22 ASN A 26 3.763 23.977 29.110 1.00 0.00 H ATOM 438 HD21 ASN A 26 2.342 24.181 28.022 1.00 0.00 H ATOM 439 H ASN A 26 1.721 23.126 32.645 1.00 0.00 H ATOM 440 N PRO A 27 2.827 19.003 32.090 1.00 12.69 N ATOM 441 CA PRO A 27 3.719 18.092 32.826 1.00 12.14 C ATOM 442 C PRO A 27 5.053 18.054 32.058 1.00 11.89 C ATOM 443 O PRO A 27 5.130 18.611 30.855 1.00 10.97 O ATOM 444 CB PRO A 27 2.932 16.742 32.763 1.00 13.45 C ATOM 445 CG PRO A 27 2.200 16.820 31.536 1.00 14.59 C ATOM 446 CD PRO A 27 1.752 18.279 31.386 1.00 12.43 C ATOM 447 HA PRO A 27 3.959 18.359 33.855 1.00 0.00 H ATOM 448 HD3 PRO A 27 1.698 18.571 30.337 1.00 0.00 H ATOM 449 HD2 PRO A 27 0.785 18.447 31.859 1.00 0.00 H ATOM 450 HG3 PRO A 27 1.332 16.161 31.573 1.00 0.00 H ATOM 451 HG2 PRO A 27 2.837 16.534 30.699 1.00 0.00 H ATOM 452 HB2 PRO A 27 3.617 15.895 32.752 1.00 0.00 H ATOM 453 HB3 PRO A 27 2.255 16.649 33.612 1.00 0.00 H ATOM 454 N ARG A 28 6.051 17.367 32.613 1.00 10.86 N ATOM 455 CA ARG A 28 7.334 17.207 31.933 1.00 11.37 C ATOM 456 C ARG A 28 7.152 16.523 30.549 1.00 9.95 C ATOM 457 O ARG A 28 6.381 15.566 30.401 1.00 10.81 O ATOM 458 CB ARG A 28 8.310 16.356 32.801 1.00 13.07 C ATOM 459 CG ARG A 28 8.768 17.030 34.153 1.00 18.16 C ATOM 460 CD ARG A 28 9.873 16.171 34.892 1.00 23.49 C ATOM 461 NE ARG A 28 9.290 14.973 35.498 1.00 31.05 N ATOM 462 CZ ARG A 28 9.288 14.686 36.816 1.00 34.39 C ATOM 463 NH1 ARG A 28 9.868 15.507 37.726 1.00 36.49 N ATOM 464 NH2 ARG A 28 8.612 13.622 37.254 1.00 35.36 N ATOM 465 HA ARG A 28 7.753 18.202 31.783 1.00 0.00 H ATOM 466 HB2 ARG A 28 7.814 15.416 33.043 1.00 0.00 H ATOM 467 HB3 ARG A 28 9.201 16.153 32.206 1.00 0.00 H ATOM 468 HG2 ARG A 28 9.175 18.017 33.935 1.00 0.00 H ATOM 469 HG3 ARG A 28 7.903 17.131 34.808 1.00 0.00 H ATOM 470 HD2 ARG A 28 10.333 16.777 35.672 1.00 0.00 H ATOM 471 HD3 ARG A 28 10.633 15.872 34.171 1.00 0.00 H ATOM 472 HE ARG A 28 8.840 14.286 34.860 1.00 0.00 H ATOM 473 HH12 ARG A 28 9.850 15.259 38.736 1.00 0.00 H ATOM 474 HH11 ARG A 28 10.330 16.385 37.414 1.00 0.00 H ATOM 475 HH22 ARG A 28 8.604 13.392 38.268 1.00 0.00 H ATOM 476 HH21 ARG A 28 8.093 13.023 36.581 1.00 0.00 H ATOM 477 H ARG A 28 5.914 16.936 33.549 1.00 0.00 H ATOM 478 N GLY A 29 7.879 16.968 29.537 1.00 9.17 N ATOM 479 CA GLY A 29 7.735 16.297 28.271 1.00 9.05 C ATOM 480 C GLY A 29 6.670 16.878 27.384 1.00 9.46 C ATOM 481 O GLY A 29 6.437 16.352 26.343 1.00 11.15 O ATOM 482 HA3 GLY A 29 7.488 15.253 28.463 1.00 0.00 H ATOM 483 HA2 GLY A 29 8.687 16.353 27.744 1.00 0.00 H ATOM 484 H GLY A 29 8.529 17.771 29.651 1.00 0.00 H ATOM 485 N THR A 30 5.925 17.883 27.838 1.00 8.84 N ATOM 486 CA THR A 30 4.994 18.534 26.936 1.00 9.35 C ATOM 487 C THR A 30 5.906 19.132 25.783 1.00 9.29 C ATOM 488 O THR A 30 6.983 19.684 26.027 1.00 8.34 O ATOM 489 CB THR A 30 4.243 19.656 27.690 1.00 9.01 C ATOM 490 OG1 THR A 30 3.496 19.092 28.777 1.00 9.77 O ATOM 491 CG2 THR A 30 3.339 20.374 26.747 1.00 9.08 C ATOM 492 HA THR A 30 4.237 17.857 26.539 1.00 0.00 H ATOM 493 HB THR A 30 4.961 20.369 28.096 1.00 0.00 H ATOM 494 HG1 THR A 30 4.115 18.635 29.400 1.00 0.00 H ATOM 495 HG23 THR A 30 3.927 20.794 25.931 1.00 0.00 H ATOM 496 HG21 THR A 30 2.605 19.675 26.346 1.00 0.00 H ATOM 497 HG22 THR A 30 2.826 21.177 27.277 1.00 0.00 H ATOM 498 H THR A 30 6.009 18.197 28.826 1.00 0.00 H ATOM 499 N PHE A 31 5.485 18.982 24.536 1.00 9.05 N ATOM 500 CA PHE A 31 6.310 19.405 23.434 1.00 8.11 C ATOM 501 C PHE A 31 5.579 19.967 22.199 1.00 8.01 C ATOM 502 O PHE A 31 4.320 19.880 22.072 1.00 8.43 O ATOM 503 CB PHE A 31 7.146 18.172 23.051 1.00 8.53 C ATOM 504 CG PHE A 31 6.390 17.193 22.230 1.00 10.53 C ATOM 505 CD1 PHE A 31 6.467 17.240 20.811 1.00 10.44 C ATOM 506 CD2 PHE A 31 5.535 16.218 22.840 1.00 10.67 C ATOM 507 CE1 PHE A 31 5.690 16.320 19.977 1.00 8.80 C ATOM 508 CE2 PHE A 31 4.756 15.298 22.028 1.00 9.90 C ATOM 509 CZ PHE A 31 4.848 15.363 20.585 1.00 7.90 C ATOM 510 HA PHE A 31 6.899 20.259 23.767 1.00 0.00 H ATOM 511 HB2 PHE A 31 8.016 18.504 22.484 1.00 0.00 H ATOM 512 HB3 PHE A 31 7.477 17.678 23.965 1.00 0.00 H ATOM 513 HD2 PHE A 31 5.468 16.166 23.927 1.00 0.00 H ATOM 514 HE2 PHE A 31 4.106 14.563 22.503 1.00 0.00 H ATOM 515 HZ PHE A 31 4.269 14.675 19.969 1.00 0.00 H ATOM 516 HE1 PHE A 31 5.761 16.374 18.891 1.00 0.00 H ATOM 517 HD1 PHE A 31 7.116 17.975 20.335 1.00 0.00 H ATOM 518 H PHE A 31 4.554 18.557 24.352 1.00 0.00 H ATOM 519 N LEU A 32 6.367 20.556 21.299 1.00 7.27 N ATOM 520 CA LEU A 32 5.880 21.091 20.019 1.00 8.14 C ATOM 521 C LEU A 32 7.105 21.126 19.098 1.00 9.11 C ATOM 522 O LEU A 32 8.227 21.087 19.594 1.00 8.90 O ATOM 523 CB LEU A 32 5.302 22.403 20.171 1.00 8.56 C ATOM 524 CG LEU A 32 6.137 23.602 20.696 1.00 10.48 C ATOM 525 CD1 LEU A 32 6.883 24.338 19.507 1.00 10.57 C ATOM 526 CD2 LEU A 32 5.299 24.505 21.483 1.00 12.33 C ATOM 527 HA LEU A 32 5.084 20.470 19.609 1.00 0.00 H ATOM 528 HB2 LEU A 32 4.933 22.692 19.187 1.00 0.00 H ATOM 529 HB3 LEU A 32 4.461 22.291 20.855 1.00 0.00 H ATOM 530 HG LEU A 32 6.913 23.226 21.363 1.00 0.00 H ATOM 531 HD21 LEU A 32 4.489 24.883 20.859 1.00 0.00 H ATOM 532 HD22 LEU A 32 4.883 23.964 22.333 1.00 0.00 H ATOM 533 HD23 LEU A 32 5.903 25.339 21.842 1.00 0.00 H ATOM 534 HD11 LEU A 32 7.552 23.636 19.010 1.00 0.00 H ATOM 535 HD12 LEU A 32 6.148 24.709 18.793 1.00 0.00 H ATOM 536 HD13 LEU A 32 7.460 25.173 19.904 1.00 0.00 H ATOM 537 H LEU A 32 7.381 20.642 21.514 1.00 0.00 H ATOM 538 N VAL A 33 6.886 20.996 17.789 1.00 9.17 N ATOM 539 CA VAL A 33 7.984 21.058 16.813 1.00 9.58 C ATOM 540 C VAL A 33 7.656 22.302 16.015 1.00 11.06 C ATOM 541 O VAL A 33 6.429 22.563 15.725 1.00 11.47 O ATOM 542 CB VAL A 33 8.002 19.838 15.877 1.00 9.11 C ATOM 543 CG1 VAL A 33 9.019 20.093 14.753 1.00 9.17 C ATOM 544 CG2 VAL A 33 8.354 18.573 16.721 1.00 9.30 C ATOM 545 HA VAL A 33 8.960 21.072 17.297 1.00 0.00 H ATOM 546 HB VAL A 33 7.030 19.673 15.413 1.00 0.00 H ATOM 547 HG11 VAL A 33 8.727 20.983 14.196 1.00 0.00 H ATOM 548 HG12 VAL A 33 10.008 20.242 15.186 1.00 0.00 H ATOM 549 HG13 VAL A 33 9.041 19.234 14.082 1.00 0.00 H ATOM 550 HG21 VAL A 33 9.334 18.705 17.180 1.00 0.00 H ATOM 551 HG22 VAL A 33 7.602 18.436 17.498 1.00 0.00 H ATOM 552 HG23 VAL A 33 8.371 17.698 16.072 1.00 0.00 H ATOM 553 H VAL A 33 5.914 20.847 17.450 1.00 0.00 H ATOM 554 N ARG A 34 8.667 23.128 15.776 1.00 11.09 N ATOM 555 CA ARG A 34 8.472 24.391 15.039 1.00 11.25 C ATOM 556 C ARG A 34 9.594 24.607 14.073 1.00 11.85 C ATOM 557 O ARG A 34 10.534 23.863 14.073 1.00 11.17 O ATOM 558 CB ARG A 34 8.408 25.525 16.003 1.00 11.41 C ATOM 559 CG ARG A 34 9.716 25.698 16.922 1.00 11.55 C ATOM 560 CD ARG A 34 9.616 26.817 17.944 1.00 12.81 C ATOM 561 NE ARG A 34 10.757 26.852 18.849 1.00 12.43 N ATOM 562 CZ ARG A 34 11.903 27.446 18.569 1.00 12.88 C ATOM 563 NH1 ARG A 34 12.867 27.425 19.462 1.00 13.78 N ATOM 564 NH2 ARG A 34 12.079 28.026 17.399 1.00 13.92 N ATOM 565 HA ARG A 34 7.537 24.336 14.481 1.00 0.00 H ATOM 566 HB2 ARG A 34 8.266 26.445 15.437 1.00 0.00 H ATOM 567 HB3 ARG A 34 7.551 25.367 16.658 1.00 0.00 H ATOM 568 HG2 ARG A 34 9.886 24.762 17.455 1.00 0.00 H ATOM 569 HG3 ARG A 34 10.566 25.904 16.272 1.00 0.00 H ATOM 570 HD2 ARG A 34 8.709 26.674 18.531 1.00 0.00 H ATOM 571 HD3 ARG A 34 9.560 27.769 17.416 1.00 0.00 H ATOM 572 HE ARG A 34 10.664 26.381 19.771 1.00 0.00 H ATOM 573 HH12 ARG A 34 13.776 27.888 19.257 1.00 0.00 H ATOM 574 HH11 ARG A 34 12.721 26.945 20.373 1.00 0.00 H ATOM 575 HH22 ARG A 34 12.982 28.493 17.181 1.00 0.00 H ATOM 576 HH21 ARG A 34 11.315 28.017 16.694 1.00 0.00 H ATOM 577 H ARG A 34 9.618 22.879 16.116 1.00 0.00 H ATOM 578 N GLU A 35 9.447 25.553 13.157 1.00 13.31 N ATOM 579 CA GLU A 35 10.569 25.886 12.260 1.00 15.37 C ATOM 580 C GLU A 35 11.656 26.572 13.081 1.00 15.51 C ATOM 581 O GLU A 35 11.330 27.273 14.067 1.00 16.11 O ATOM 582 CB GLU A 35 10.192 26.912 11.257 1.00 17.55 C ATOM 583 CG GLU A 35 9.252 26.422 10.364 1.00 22.68 C ATOM 584 CD GLU A 35 9.189 27.252 9.133 1.00 27.80 C ATOM 585 OE1 GLU A 35 8.749 26.666 8.104 1.00 29.48 O ATOM 586 OE2 GLU A 35 9.585 28.473 9.210 1.00 29.18 O ATOM 587 HA GLU A 35 10.876 24.956 11.782 1.00 0.00 H ATOM 588 HB2 GLU A 35 9.775 27.777 11.773 1.00 0.00 H ATOM 589 HB3 GLU A 35 11.082 27.214 10.706 1.00 0.00 H ATOM 590 HG2 GLU A 35 9.520 25.402 10.091 1.00 0.00 H ATOM 591 HG3 GLU A 35 8.273 26.423 10.843 1.00 0.00 H ATOM 592 H GLU A 35 8.543 26.059 13.071 1.00 0.00 H ATOM 593 N SER A 36 12.926 26.328 12.745 1.00 16.21 N ATOM 594 CA SER A 36 14.027 27.032 13.400 1.00 17.75 C ATOM 595 C SER A 36 13.906 28.539 12.944 1.00 19.20 C ATOM 596 O SER A 36 13.565 28.818 11.805 1.00 18.96 O ATOM 597 CB SER A 36 15.358 26.487 12.866 1.00 17.74 C ATOM 598 OG SER A 36 16.415 27.389 13.188 1.00 19.75 O ATOM 599 HA SER A 36 13.989 26.915 14.483 1.00 0.00 H ATOM 600 HB2 SER A 36 15.295 26.375 11.784 1.00 0.00 H ATOM 601 HB3 SER A 36 15.560 25.516 13.319 1.00 0.00 H ATOM 602 HG SER A 36 16.473 27.490 14.171 1.00 0.00 H ATOM 603 H SER A 36 13.134 25.626 12.006 1.00 0.00 H ATOM 604 N GLU A 37 14.164 29.474 13.855 1.00 21.27 N ATOM 605 CA GLU A 37 14.141 30.902 13.556 1.00 22.81 C ATOM 606 C GLU A 37 15.306 31.259 12.630 1.00 25.25 C ATOM 607 O GLU A 37 15.176 32.181 11.771 1.00 25.49 O ATOM 608 CB GLU A 37 14.281 31.784 14.829 1.00 21.84 C ATOM 609 CG GLU A 37 13.005 31.840 15.722 1.00 19.70 C ATOM 610 CD GLU A 37 13.186 32.765 16.906 1.00 20.39 C ATOM 611 OE1 GLU A 37 14.297 33.316 17.081 1.00 19.60 O ATOM 612 OE2 GLU A 37 12.210 32.963 17.687 1.00 20.08 O ATOM 613 HA GLU A 37 13.176 31.100 13.090 1.00 0.00 H ATOM 614 HB2 GLU A 37 15.100 31.387 15.430 1.00 0.00 H ATOM 615 HB3 GLU A 37 14.521 32.800 14.515 1.00 0.00 H ATOM 616 HG2 GLU A 37 12.169 32.196 15.120 1.00 0.00 H ATOM 617 HG3 GLU A 37 12.786 30.837 16.088 1.00 0.00 H ATOM 618 H GLU A 37 14.392 29.173 14.824 1.00 0.00 H ATOM 619 N THR A 38 16.435 30.569 12.758 1.00 26.68 N ATOM 620 CA THR A 38 17.512 30.997 11.915 1.00 28.68 C ATOM 621 C THR A 38 18.249 29.990 11.003 1.00 29.84 C ATOM 622 O THR A 38 19.262 30.362 10.332 1.00 28.79 O ATOM 623 CB THR A 38 18.468 31.778 12.774 1.00 29.60 C ATOM 624 OG1 THR A 38 18.794 30.963 13.922 1.00 30.01 O ATOM 625 CG2 THR A 38 17.818 33.172 13.202 1.00 29.42 C ATOM 626 HA THR A 38 17.020 31.584 11.139 1.00 0.00 H ATOM 627 HB THR A 38 19.380 32.013 12.226 1.00 0.00 H ATOM 628 HG1 THR A 38 19.424 31.455 14.506 1.00 0.00 H ATOM 629 HG23 THR A 38 17.588 33.754 12.309 1.00 0.00 H ATOM 630 HG21 THR A 38 16.902 32.987 13.763 1.00 0.00 H ATOM 631 HG22 THR A 38 18.522 33.724 13.825 1.00 0.00 H ATOM 632 H THR A 38 16.530 29.775 13.423 1.00 0.00 H ATOM 633 N THR A 39 17.730 28.770 10.881 1.00 30.45 N ATOM 634 CA THR A 39 18.374 27.782 9.996 1.00 32.00 C ATOM 635 C THR A 39 17.341 27.244 9.046 1.00 32.91 C ATOM 636 O THR A 39 16.496 26.477 9.451 1.00 32.91 O ATOM 637 CB THR A 39 18.948 26.578 10.755 1.00 32.32 C ATOM 638 OG1 THR A 39 19.866 27.041 11.767 1.00 32.88 O ATOM 639 CG2 THR A 39 19.621 25.582 9.761 1.00 31.85 C ATOM 640 HA THR A 39 19.192 28.297 9.492 1.00 0.00 H ATOM 641 HB THR A 39 18.144 26.037 11.254 1.00 0.00 H ATOM 642 HG1 THR A 39 20.236 26.264 12.256 1.00 0.00 H ATOM 643 HG23 THR A 39 18.890 25.262 9.018 1.00 0.00 H ATOM 644 HG21 THR A 39 20.455 26.076 9.262 1.00 0.00 H ATOM 645 HG22 THR A 39 19.987 24.714 10.310 1.00 0.00 H ATOM 646 H THR A 39 16.871 28.514 11.409 1.00 0.00 H ATOM 647 N LYS A 40 17.497 27.557 7.757 1.00 34.02 N ATOM 648 CA LYS A 40 16.554 27.128 6.705 1.00 34.76 C ATOM 649 C LYS A 40 16.439 25.622 6.706 1.00 34.18 C ATOM 650 O LYS A 40 17.451 24.935 6.892 1.00 35.77 O ATOM 651 CB LYS A 40 17.021 27.684 5.152 1.00 35.65 C ATOM 652 CG LYS A 40 18.331 26.972 4.523 1.00 38.66 C ATOM 653 CD LYS A 40 20.005 26.700 4.812 1.00 40.39 C ATOM 654 CE LYS A 40 20.611 25.646 5.893 1.00 41.44 C ATOM 655 NZ LYS A 40 21.312 26.242 7.109 1.00 42.85 N ATOM 656 HA LYS A 40 15.584 27.572 6.929 1.00 0.00 H ATOM 657 HB2 LYS A 40 16.187 27.517 4.470 1.00 0.00 H ATOM 658 HB3 LYS A 40 17.221 28.753 5.224 1.00 0.00 H ATOM 659 HG2 LYS A 40 17.974 25.948 4.417 1.00 0.00 H ATOM 660 HG3 LYS A 40 18.369 27.446 3.542 1.00 0.00 H ATOM 661 HD2 LYS A 40 20.420 26.399 3.850 1.00 0.00 H ATOM 662 HD3 LYS A 40 20.412 27.671 5.094 1.00 0.00 H ATOM 663 HE2 LYS A 40 21.331 25.015 5.372 1.00 0.00 H ATOM 664 HE3 LYS A 40 19.786 25.032 6.254 1.00 0.00 H ATOM 665 HZ1 LYS A 40 22.117 26.820 6.795 1.00 0.00 H ATOM 666 HZ2 LYS A 40 20.642 26.836 7.637 1.00 0.00 H ATOM 667 HZ3 LYS A 40 21.654 25.474 7.722 1.00 0.00 H ATOM 668 H LYS A 40 18.321 28.129 7.482 1.00 0.00 H ATOM 669 N GLY A 41 15.204 25.112 6.665 1.00 33.60 N ATOM 670 CA GLY A 41 14.997 23.663 6.576 1.00 32.03 C ATOM 671 C GLY A 41 15.289 22.779 7.775 1.00 30.83 C ATOM 672 O GLY A 41 15.278 21.498 7.618 1.00 30.82 O ATOM 673 HA3 GLY A 41 15.625 23.305 5.760 1.00 0.00 H ATOM 674 HA2 GLY A 41 13.949 23.510 6.320 1.00 0.00 H ATOM 675 H GLY A 41 14.382 25.749 6.697 1.00 0.00 H ATOM 676 N ALA A 42 15.638 23.414 8.914 1.00 28.22 N ATOM 677 CA ALA A 42 15.859 22.712 10.177 1.00 24.41 C ATOM 678 C ALA A 42 14.645 23.071 11.063 1.00 22.99 C ATOM 679 O ALA A 42 13.950 24.075 10.820 1.00 21.59 O ATOM 680 CB ALA A 42 17.118 23.146 10.849 1.00 24.13 C ATOM 681 HA ALA A 42 15.958 21.640 10.006 1.00 0.00 H ATOM 682 HB1 ALA A 42 17.966 22.943 10.195 1.00 0.00 H ATOM 683 HB2 ALA A 42 17.067 24.214 11.059 1.00 0.00 H ATOM 684 HB3 ALA A 42 17.238 22.596 11.783 1.00 0.00 H ATOM 685 H ALA A 42 15.755 24.447 8.892 1.00 0.00 H ATOM 686 N TYR A 43 14.401 22.251 12.086 1.00 19.65 N ATOM 687 CA TYR A 43 13.274 22.438 12.978 1.00 17.97 C ATOM 688 C TYR A 43 13.800 22.496 14.374 1.00 15.41 C ATOM 689 O TYR A 43 14.955 22.209 14.601 1.00 15.77 O ATOM 690 CB TYR A 43 12.317 21.202 12.894 1.00 19.20 C ATOM 691 CG TYR A 43 11.774 20.957 11.519 1.00 21.20 C ATOM 692 CD1 TYR A 43 12.364 20.028 10.675 1.00 23.32 C ATOM 693 CD2 TYR A 43 10.680 21.648 11.082 1.00 22.68 C ATOM 694 CE1 TYR A 43 11.859 19.798 9.412 1.00 25.84 C ATOM 695 CE2 TYR A 43 10.148 21.452 9.856 1.00 25.94 C ATOM 696 CZ TYR A 43 10.734 20.522 9.000 1.00 27.61 C ATOM 697 OH TYR A 43 10.173 20.362 7.720 1.00 30.61 O ATOM 698 HA TYR A 43 12.738 23.347 12.703 1.00 0.00 H ATOM 699 HB3 TYR A 43 11.479 21.368 13.571 1.00 0.00 H ATOM 700 HB2 TYR A 43 12.869 20.317 13.210 1.00 0.00 H ATOM 701 HD2 TYR A 43 10.221 22.382 11.744 1.00 0.00 H ATOM 702 HE2 TYR A 43 9.270 22.015 9.540 1.00 0.00 H ATOM 703 HE1 TYR A 43 12.326 19.069 8.750 1.00 0.00 H ATOM 704 HD1 TYR A 43 13.238 19.472 11.014 1.00 0.00 H ATOM 705 HH TYR A 43 10.683 19.676 7.221 1.00 0.00 H ATOM 706 H TYR A 43 15.042 21.449 12.250 1.00 0.00 H ATOM 707 N CYS A 44 12.929 22.841 15.318 1.00 13.73 N ATOM 708 CA CYS A 44 13.276 22.837 16.707 1.00 12.54 C ATOM 709 C CYS A 44 12.174 22.088 17.387 1.00 11.53 C ATOM 710 O CYS A 44 11.059 22.274 17.105 1.00 11.27 O ATOM 711 CB CYS A 44 13.374 24.224 17.333 1.00 15.38 C ATOM 712 SG CYS A 44 14.633 25.296 16.575 1.00 20.49 S ATOM 713 HA CYS A 44 14.265 22.392 16.821 1.00 0.00 H ATOM 714 HB2 CYS A 44 13.616 24.106 18.389 1.00 0.00 H ATOM 715 HB3 CYS A 44 12.405 24.713 17.236 1.00 0.00 H ATOM 716 HG CYS A 44 14.638 26.520 17.213 1.00 0.00 H ATOM 717 H CYS A 44 11.967 23.122 15.039 1.00 0.00 H ATOM 718 N LEU A 45 12.581 21.238 18.301 1.00 10.41 N ATOM 719 CA LEU A 45 11.714 20.419 19.151 1.00 10.85 C ATOM 720 C LEU A 45 11.807 21.158 20.493 1.00 10.51 C ATOM 721 O LEU A 45 12.857 21.158 21.078 1.00 10.86 O ATOM 722 CB LEU A 45 12.300 18.966 19.267 1.00 12.45 C ATOM 723 CG LEU A 45 11.693 18.046 20.382 1.00 10.54 C ATOM 724 CD1 LEU A 45 10.146 17.851 20.087 1.00 10.34 C ATOM 725 CD2 LEU A 45 12.417 16.708 20.379 1.00 12.60 C ATOM 726 HA LEU A 45 10.694 20.304 18.785 1.00 0.00 H ATOM 727 HB2 LEU A 45 12.145 18.470 18.309 1.00 0.00 H ATOM 728 HB3 LEU A 45 13.369 19.056 19.459 1.00 0.00 H ATOM 729 HG LEU A 45 11.815 18.500 21.365 1.00 0.00 H ATOM 730 HD21 LEU A 45 12.295 16.232 19.406 1.00 0.00 H ATOM 731 HD22 LEU A 45 13.477 16.869 20.575 1.00 0.00 H ATOM 732 HD23 LEU A 45 11.996 16.067 21.154 1.00 0.00 H ATOM 733 HD11 LEU A 45 9.651 18.822 20.095 1.00 0.00 H ATOM 734 HD12 LEU A 45 10.020 17.385 19.110 1.00 0.00 H ATOM 735 HD13 LEU A 45 9.709 17.213 20.855 1.00 0.00 H ATOM 736 H LEU A 45 13.608 21.138 18.433 1.00 0.00 H ATOM 737 N SER A 46 10.732 21.783 20.925 1.00 7.46 N ATOM 738 CA SER A 46 10.721 22.560 22.161 1.00 9.04 C ATOM 739 C SER A 46 10.023 21.696 23.230 1.00 9.25 C ATOM 740 O SER A 46 8.824 21.247 23.028 1.00 9.41 O ATOM 741 CB SER A 46 10.026 23.895 21.914 1.00 9.29 C ATOM 742 OG SER A 46 10.844 24.634 21.001 1.00 8.88 O ATOM 743 HA SER A 46 11.724 22.802 22.512 1.00 0.00 H ATOM 744 HB2 SER A 46 9.923 24.442 22.851 1.00 0.00 H ATOM 745 HB3 SER A 46 9.039 23.729 21.482 1.00 0.00 H ATOM 746 HG SER A 46 11.739 24.775 21.401 1.00 0.00 H ATOM 747 H SER A 46 9.858 21.721 20.365 1.00 0.00 H ATOM 748 N VAL A 47 10.680 21.515 24.375 1.00 8.43 N ATOM 749 CA VAL A 47 10.162 20.570 25.382 1.00 8.85 C ATOM 750 C VAL A 47 10.117 21.138 26.747 1.00 9.40 C ATOM 751 O VAL A 47 11.086 21.893 27.117 1.00 9.00 O ATOM 752 CB VAL A 47 11.051 19.287 25.425 1.00 8.84 C ATOM 753 CG1 VAL A 47 10.402 18.203 26.361 1.00 9.95 C ATOM 754 CG2 VAL A 47 11.277 18.744 24.043 1.00 8.66 C ATOM 755 HA VAL A 47 9.142 20.337 25.075 1.00 0.00 H ATOM 756 HB VAL A 47 12.024 19.555 25.837 1.00 0.00 H ATOM 757 HG11 VAL A 47 10.308 18.605 27.370 1.00 0.00 H ATOM 758 HG12 VAL A 47 9.415 17.940 25.980 1.00 0.00 H ATOM 759 HG13 VAL A 47 11.034 17.315 26.380 1.00 0.00 H ATOM 760 HG21 VAL A 47 10.317 18.491 23.592 1.00 0.00 H ATOM 761 HG22 VAL A 47 11.778 19.498 23.435 1.00 0.00 H ATOM 762 HG23 VAL A 47 11.899 17.851 24.102 1.00 0.00 H ATOM 763 H VAL A 47 11.559 22.040 24.559 1.00 0.00 H ATOM 764 N SER A 48 8.991 20.879 27.470 1.00 9.24 N ATOM 765 CA SER A 48 8.900 21.420 28.839 1.00 11.04 C ATOM 766 C SER A 48 9.540 20.405 29.778 1.00 11.27 C ATOM 767 O SER A 48 9.629 19.164 29.475 1.00 10.99 O ATOM 768 CB SER A 48 7.445 21.766 29.283 1.00 10.00 C ATOM 769 OG SER A 48 6.736 20.585 29.615 1.00 12.67 O ATOM 770 HA SER A 48 9.429 22.372 28.871 1.00 0.00 H ATOM 771 HB2 SER A 48 6.932 22.276 28.468 1.00 0.00 H ATOM 772 HB3 SER A 48 7.481 22.421 30.154 1.00 0.00 H ATOM 773 HG SER A 48 7.199 20.121 30.357 1.00 0.00 H ATOM 774 H SER A 48 8.216 20.315 27.067 1.00 0.00 H ATOM 775 N ASP A 49 10.109 20.947 30.857 1.00 13.13 N ATOM 776 CA ASP A 49 10.758 20.138 31.870 1.00 13.19 C ATOM 777 C ASP A 49 10.428 20.775 33.189 1.00 12.45 C ATOM 778 O ASP A 49 9.937 21.885 33.244 1.00 12.55 O ATOM 779 CB ASP A 49 12.237 20.148 31.677 1.00 13.95 C ATOM 780 CG ASP A 49 12.923 19.077 32.515 1.00 17.59 C ATOM 781 OD1 ASP A 49 12.279 18.081 33.008 1.00 16.07 O ATOM 782 OD2 ASP A 49 14.146 19.180 32.633 1.00 20.18 O ATOM 783 HA ASP A 49 10.419 19.103 31.817 1.00 0.00 H ATOM 784 HB2 ASP A 49 12.457 19.968 30.625 1.00 0.00 H ATOM 785 HB3 ASP A 49 12.624 21.125 31.966 1.00 0.00 H ATOM 786 H ASP A 49 10.086 21.980 30.974 1.00 0.00 H ATOM 787 N PHE A 50 10.739 20.049 34.236 1.00 12.92 N ATOM 788 CA PHE A 50 10.523 20.534 35.595 1.00 14.52 C ATOM 789 C PHE A 50 11.436 19.805 36.553 1.00 15.63 C ATOM 790 O PHE A 50 11.616 18.534 36.438 1.00 16.11 O ATOM 791 CB PHE A 50 9.035 20.205 36.033 1.00 13.43 C ATOM 792 CG PHE A 50 8.690 20.677 37.404 1.00 14.13 C ATOM 793 CD1 PHE A 50 8.961 19.873 38.517 1.00 14.19 C ATOM 794 CD2 PHE A 50 8.147 21.956 37.586 1.00 13.40 C ATOM 795 CE1 PHE A 50 8.691 20.352 39.835 1.00 14.78 C ATOM 796 CE2 PHE A 50 7.871 22.453 38.908 1.00 14.95 C ATOM 797 CZ PHE A 50 8.152 21.634 40.016 1.00 14.50 C ATOM 798 HA PHE A 50 10.718 21.606 35.617 1.00 0.00 H ATOM 799 HB2 PHE A 50 8.356 20.680 35.325 1.00 0.00 H ATOM 800 HB3 PHE A 50 8.897 19.124 35.997 1.00 0.00 H ATOM 801 HD2 PHE A 50 7.932 22.580 36.719 1.00 0.00 H ATOM 802 HE2 PHE A 50 7.451 23.449 39.048 1.00 0.00 H ATOM 803 HZ PHE A 50 7.949 21.998 41.023 1.00 0.00 H ATOM 804 HE1 PHE A 50 8.904 19.722 40.699 1.00 0.00 H ATOM 805 HD1 PHE A 50 9.380 18.877 38.377 1.00 0.00 H ATOM 806 H PHE A 50 11.150 19.104 34.094 1.00 0.00 H ATOM 807 N ASP A 51 12.056 20.564 37.445 1.00 18.09 N ATOM 808 CA ASP A 51 12.790 19.939 38.572 1.00 21.30 C ATOM 809 C ASP A 51 12.740 20.943 39.710 1.00 21.83 C ATOM 810 O ASP A 51 12.257 22.088 39.508 1.00 21.79 O ATOM 811 CB ASP A 51 14.242 19.378 38.239 1.00 23.51 C ATOM 812 CG ASP A 51 15.208 20.458 37.781 1.00 26.98 C ATOM 813 OD1 ASP A 51 15.996 20.232 36.814 1.00 27.05 O ATOM 814 OD2 ASP A 51 15.199 21.509 38.433 1.00 27.81 O ATOM 815 HA ASP A 51 12.299 19.007 38.852 1.00 0.00 H ATOM 816 HB2 ASP A 51 14.646 18.908 39.135 1.00 0.00 H ATOM 817 HB3 ASP A 51 14.153 18.633 37.448 1.00 0.00 H ATOM 818 H ASP A 51 12.028 21.600 37.355 1.00 0.00 H ATOM 819 N ASN A 52 13.081 20.533 40.930 1.00 23.92 N ATOM 820 CA ASN A 52 12.984 21.500 42.029 1.00 25.79 C ATOM 821 C ASN A 52 14.073 22.565 41.908 1.00 27.34 C ATOM 822 O ASN A 52 13.888 23.667 42.385 1.00 27.79 O ATOM 823 CB ASN A 52 13.073 20.835 43.361 1.00 27.67 C ATOM 824 CG ASN A 52 11.889 19.957 43.647 1.00 26.60 C ATOM 825 OD1 ASN A 52 10.808 20.131 43.087 1.00 26.03 O ATOM 826 ND2 ASN A 52 12.079 19.033 44.561 1.00 26.03 N ATOM 827 HA ASN A 52 12.006 21.976 41.953 1.00 0.00 H ATOM 828 HB2 ASN A 52 13.976 20.224 43.387 1.00 0.00 H ATOM 829 HB3 ASN A 52 13.133 21.603 44.132 1.00 0.00 H ATOM 830 HD22 ASN A 52 13.013 18.926 45.006 1.00 0.00 H ATOM 831 HD21 ASN A 52 11.295 18.409 44.840 1.00 0.00 H ATOM 832 H ASN A 52 13.405 19.559 41.098 1.00 0.00 H ATOM 833 N ALA A 53 15.204 22.211 41.268 1.00 28.15 N ATOM 834 CA ALA A 53 16.312 23.177 41.025 1.00 28.59 C ATOM 835 C ALA A 53 15.806 24.355 40.111 1.00 28.17 C ATOM 836 O ALA A 53 15.756 25.451 40.529 1.00 28.82 O ATOM 837 CB ALA A 53 17.610 22.444 40.395 1.00 27.00 C ATOM 838 HA ALA A 53 16.624 23.596 41.982 1.00 0.00 H ATOM 839 HB1 ALA A 53 17.964 21.678 41.085 1.00 0.00 H ATOM 840 HB2 ALA A 53 17.340 21.982 39.445 1.00 0.00 H ATOM 841 HB3 ALA A 53 18.397 23.180 40.231 1.00 0.00 H ATOM 842 H ALA A 53 15.307 21.232 40.933 1.00 0.00 H ATOM 843 N LYS A 54 15.399 24.078 38.882 1.00 28.06 N ATOM 844 CA LYS A 54 14.922 25.118 37.919 1.00 28.66 C ATOM 845 C LYS A 54 13.415 25.383 37.849 1.00 28.29 C ATOM 846 O LYS A 54 12.993 26.356 37.140 1.00 29.20 O ATOM 847 CB LYS A 54 15.366 24.730 36.403 1.00 27.99 C ATOM 848 CG LYS A 54 16.897 24.590 36.221 1.00 27.47 C ATOM 849 CD LYS A 54 17.119 24.355 34.750 1.00 28.15 C ATOM 850 CE LYS A 54 18.572 24.654 34.538 1.00 27.30 C ATOM 851 NZ LYS A 54 18.959 24.657 33.050 1.00 28.59 N ATOM 852 HA LYS A 54 15.387 26.021 38.315 1.00 0.00 H ATOM 853 HB2 LYS A 54 14.899 23.781 36.139 1.00 0.00 H ATOM 854 HB3 LYS A 54 15.009 25.509 35.729 1.00 0.00 H ATOM 855 HG2 LYS A 54 17.402 25.502 36.540 1.00 0.00 H ATOM 856 HG3 LYS A 54 17.272 23.747 36.801 1.00 0.00 H ATOM 857 HD2 LYS A 54 16.895 23.321 34.486 1.00 0.00 H ATOM 858 HD3 LYS A 54 16.497 25.023 34.154 1.00 0.00 H ATOM 859 HE2 LYS A 54 19.164 23.897 35.052 1.00 0.00 H ATOM 860 HE3 LYS A 54 18.793 25.635 34.959 1.00 0.00 H ATOM 861 HZ1 LYS A 54 18.760 23.723 32.639 1.00 0.00 H ATOM 862 HZ2 LYS A 54 18.405 25.382 32.550 1.00 0.00 H ATOM 863 HZ3 LYS A 54 19.973 24.869 32.957 1.00 0.00 H ATOM 864 H LYS A 54 15.412 23.086 38.570 1.00 0.00 H ATOM 865 N GLY A 55 12.604 24.596 38.575 1.00 26.19 N ATOM 866 CA GLY A 55 11.170 24.734 38.436 1.00 22.58 C ATOM 867 C GLY A 55 10.808 24.332 36.981 1.00 19.99 C ATOM 868 O GLY A 55 11.541 23.564 36.320 1.00 19.28 O ATOM 869 HA3 GLY A 55 10.874 25.766 38.623 1.00 0.00 H ATOM 870 HA2 GLY A 55 10.661 24.078 39.142 1.00 0.00 H ATOM 871 H GLY A 55 13.003 23.894 39.231 1.00 0.00 H ATOM 872 N LEU A 56 9.725 24.915 36.489 1.00 18.16 N ATOM 873 CA LEU A 56 9.180 24.694 35.157 1.00 17.88 C ATOM 874 C LEU A 56 10.111 25.405 34.187 1.00 17.80 C ATOM 875 O LEU A 56 10.375 26.609 34.387 1.00 17.46 O ATOM 876 CB LEU A 56 7.791 25.322 35.116 1.00 19.32 C ATOM 877 CG LEU A 56 6.933 25.224 33.768 1.00 20.47 C ATOM 878 CD1 LEU A 56 6.720 23.744 33.357 1.00 20.89 C ATOM 879 CD2 LEU A 56 5.585 25.985 33.949 1.00 21.00 C ATOM 880 HA LEU A 56 9.103 23.637 34.901 1.00 0.00 H ATOM 881 HB2 LEU A 56 7.204 24.850 35.904 1.00 0.00 H ATOM 882 HB3 LEU A 56 7.913 26.382 35.341 1.00 0.00 H ATOM 883 HG LEU A 56 7.481 25.699 32.954 1.00 0.00 H ATOM 884 HD21 LEU A 56 5.024 25.537 34.769 1.00 0.00 H ATOM 885 HD22 LEU A 56 5.788 27.032 34.174 1.00 0.00 H ATOM 886 HD23 LEU A 56 5.004 25.916 33.029 1.00 0.00 H ATOM 887 HD11 LEU A 56 7.688 23.271 33.193 1.00 0.00 H ATOM 888 HD12 LEU A 56 6.188 23.221 34.152 1.00 0.00 H ATOM 889 HD13 LEU A 56 6.134 23.704 32.438 1.00 0.00 H ATOM 890 H LEU A 56 9.223 25.586 37.105 1.00 0.00 H ATOM 891 N ASN A 57 10.642 24.725 33.159 1.00 15.96 N ATOM 892 CA ASN A 57 11.564 25.419 32.241 1.00 14.89 C ATOM 893 C ASN A 57 11.470 24.762 30.856 1.00 14.90 C ATOM 894 O ASN A 57 10.819 23.665 30.731 1.00 14.45 O ATOM 895 CB ASN A 57 13.038 25.355 32.783 1.00 15.13 C ATOM 896 CG ASN A 57 13.563 23.937 32.874 1.00 15.94 C ATOM 897 OD1 ASN A 57 14.361 23.509 32.064 1.00 18.27 O ATOM 898 ND2 ASN A 57 13.063 23.185 33.830 1.00 14.52 N ATOM 899 HA ASN A 57 11.283 26.470 32.168 1.00 0.00 H ATOM 900 HB2 ASN A 57 13.682 25.924 32.112 1.00 0.00 H ATOM 901 HB3 ASN A 57 13.065 25.802 33.777 1.00 0.00 H ATOM 902 HD22 ASN A 57 12.382 23.587 34.505 1.00 0.00 H ATOM 903 HD21 ASN A 57 13.349 22.188 33.911 1.00 0.00 H ATOM 904 H ASN A 57 10.407 23.723 33.012 1.00 0.00 H ATOM 905 N VAL A 58 12.117 25.352 29.828 1.00 13.31 N ATOM 906 CA VAL A 58 12.011 24.818 28.432 1.00 12.13 C ATOM 907 C VAL A 58 13.396 24.538 27.796 1.00 13.03 C ATOM 908 O VAL A 58 14.351 25.321 27.996 1.00 12.11 O ATOM 909 CB VAL A 58 11.229 25.847 27.584 1.00 11.50 C ATOM 910 CG1 VAL A 58 11.054 25.335 26.162 1.00 11.21 C ATOM 911 CG2 VAL A 58 9.889 26.093 28.245 1.00 11.41 C ATOM 912 HA VAL A 58 11.489 23.861 28.463 1.00 0.00 H ATOM 913 HB VAL A 58 11.781 26.785 27.528 1.00 0.00 H ATOM 914 HG11 VAL A 58 12.034 25.173 25.712 1.00 0.00 H ATOM 915 HG12 VAL A 58 10.502 24.395 26.181 1.00 0.00 H ATOM 916 HG13 VAL A 58 10.502 26.071 25.578 1.00 0.00 H ATOM 917 HG21 VAL A 58 9.335 25.156 28.299 1.00 0.00 H ATOM 918 HG22 VAL A 58 10.047 26.482 29.251 1.00 0.00 H ATOM 919 HG23 VAL A 58 9.324 26.818 27.659 1.00 0.00 H ATOM 920 H VAL A 58 12.700 26.194 30.009 1.00 0.00 H ATOM 921 N LYS A 59 13.500 23.449 27.023 1.00 13.04 N ATOM 922 CA LYS A 59 14.734 23.062 26.339 1.00 12.75 C ATOM 923 C LYS A 59 14.391 23.017 24.865 1.00 13.02 C ATOM 924 O LYS A 59 13.271 22.701 24.536 1.00 12.28 O ATOM 925 CB LYS A 59 15.166 21.728 26.767 1.00 15.21 C ATOM 926 CG LYS A 59 15.800 21.735 28.203 1.00 20.01 C ATOM 927 CD LYS A 59 17.036 22.760 28.134 1.00 24.36 C ATOM 928 CE LYS A 59 17.702 22.945 29.605 1.00 27.90 C ATOM 929 NZ LYS A 59 18.909 23.912 29.589 1.00 28.05 N ATOM 930 HA LYS A 59 15.539 23.763 26.561 1.00 0.00 H ATOM 931 HB2 LYS A 59 14.302 21.064 26.769 1.00 0.00 H ATOM 932 HB3 LYS A 59 15.907 21.356 26.059 1.00 0.00 H ATOM 933 HG2 LYS A 59 15.069 22.071 28.939 1.00 0.00 H ATOM 934 HG3 LYS A 59 16.149 20.737 28.469 1.00 0.00 H ATOM 935 HD2 LYS A 59 17.787 22.372 27.446 1.00 0.00 H ATOM 936 HD3 LYS A 59 16.682 23.727 27.776 1.00 0.00 H ATOM 937 HE2 LYS A 59 18.038 21.972 29.962 1.00 0.00 H ATOM 938 HE3 LYS A 59 16.946 23.339 30.285 1.00 0.00 H ATOM 939 HZ1 LYS A 59 19.640 23.541 28.949 1.00 0.00 H ATOM 940 HZ2 LYS A 59 18.598 24.847 29.257 1.00 0.00 H ATOM 941 HZ3 LYS A 59 19.297 23.996 30.550 1.00 0.00 H ATOM 942 H LYS A 59 12.660 22.848 26.903 1.00 0.00 H ATOM 943 N HIS A 60 15.306 23.495 24.015 1.00 11.12 N ATOM 944 CA HIS A 60 15.102 23.510 22.576 1.00 11.51 C ATOM 945 C HIS A 60 16.213 22.658 21.939 1.00 10.95 C ATOM 946 O HIS A 60 17.375 22.905 22.187 1.00 10.44 O ATOM 947 CB HIS A 60 15.237 25.001 22.040 1.00 10.79 C ATOM 948 CG HIS A 60 14.285 25.963 22.680 1.00 10.51 C ATOM 949 ND1 HIS A 60 12.947 26.015 22.353 1.00 10.63 N ATOM 950 CD2 HIS A 60 14.473 26.877 23.650 1.00 9.30 C ATOM 951 CE1 HIS A 60 12.342 26.916 23.105 1.00 11.09 C ATOM 952 NE2 HIS A 60 13.254 27.454 23.902 1.00 11.61 N ATOM 953 HA HIS A 60 14.115 23.121 22.327 1.00 0.00 H ATOM 954 HB2 HIS A 60 16.254 25.344 22.232 1.00 0.00 H ATOM 955 HB3 HIS A 60 15.052 24.998 20.966 1.00 0.00 H ATOM 956 HD2 HIS A 60 15.416 27.114 24.143 1.00 0.00 H ATOM 957 HE1 HIS A 60 11.283 27.171 23.076 1.00 0.00 H ATOM 958 H HIS A 60 16.197 23.870 24.398 1.00 0.00 H ATOM 959 N TYR A 61 15.826 21.659 21.158 1.00 10.59 N ATOM 960 CA TYR A 61 16.719 20.726 20.482 1.00 11.62 C ATOM 961 C TYR A 61 16.614 20.962 18.950 1.00 12.72 C ATOM 962 O TYR A 61 15.513 20.989 18.381 1.00 11.82 O ATOM 963 CB TYR A 61 16.290 19.296 20.783 1.00 11.18 C ATOM 964 CG TYR A 61 16.326 18.969 22.250 1.00 12.51 C ATOM 965 CD1 TYR A 61 15.168 19.017 23.010 1.00 11.48 C ATOM 966 CD2 TYR A 61 17.533 18.704 22.902 1.00 9.64 C ATOM 967 CE1 TYR A 61 15.188 18.819 24.388 1.00 12.13 C ATOM 968 CE2 TYR A 61 17.573 18.523 24.253 1.00 11.65 C ATOM 969 CZ TYR A 61 16.414 18.578 25.005 1.00 11.75 C ATOM 970 OH TYR A 61 16.424 18.449 26.363 1.00 10.84 O ATOM 971 HA TYR A 61 17.741 20.882 20.827 1.00 0.00 H ATOM 972 HB3 TYR A 61 16.959 18.614 20.258 1.00 0.00 H ATOM 973 HB2 TYR A 61 15.272 19.155 20.420 1.00 0.00 H ATOM 974 HD2 TYR A 61 18.455 18.641 22.323 1.00 0.00 H ATOM 975 HE2 TYR A 61 18.527 18.333 24.744 1.00 0.00 H ATOM 976 HE1 TYR A 61 14.267 18.852 24.970 1.00 0.00 H ATOM 977 HD1 TYR A 61 14.217 19.215 22.516 1.00 0.00 H ATOM 978 HH TYR A 61 16.804 17.568 26.607 1.00 0.00 H ATOM 979 H TYR A 61 14.804 21.531 21.016 1.00 0.00 H ATOM 980 N LYS A 62 17.727 21.128 18.264 1.00 12.71 N ATOM 981 CA LYS A 62 17.647 21.370 16.836 1.00 14.50 C ATOM 982 C LYS A 62 17.456 20.028 16.134 1.00 14.15 C ATOM 983 O LYS A 62 18.111 19.109 16.465 1.00 15.18 O ATOM 984 CB LYS A 62 18.919 22.007 16.385 1.00 17.44 C ATOM 985 CG LYS A 62 18.937 22.233 14.890 1.00 25.27 C ATOM 986 CD LYS A 62 19.418 23.331 13.741 1.00 30.04 C ATOM 987 CE LYS A 62 18.324 24.544 13.772 1.00 32.95 C ATOM 988 NZ LYS A 62 18.615 25.604 14.809 1.00 34.48 N ATOM 989 HA LYS A 62 16.813 22.030 16.599 1.00 0.00 H ATOM 990 HB2 LYS A 62 19.030 22.967 16.888 1.00 0.00 H ATOM 991 HB3 LYS A 62 19.753 21.359 16.654 1.00 0.00 H ATOM 992 HG2 LYS A 62 19.462 21.339 14.553 1.00 0.00 H ATOM 993 HG3 LYS A 62 17.877 22.140 14.655 1.00 0.00 H ATOM 994 HD2 LYS A 62 20.411 23.713 13.977 1.00 0.00 H ATOM 995 HD3 LYS A 62 19.435 22.863 12.756 1.00 0.00 H ATOM 996 HE2 LYS A 62 17.344 24.117 13.983 1.00 0.00 H ATOM 997 HE3 LYS A 62 18.309 25.018 12.791 1.00 0.00 H ATOM 998 HZ1 LYS A 62 18.622 25.170 15.754 1.00 0.00 H ATOM 999 HZ2 LYS A 62 19.544 26.031 14.616 1.00 0.00 H ATOM 1000 HZ3 LYS A 62 17.880 26.338 14.768 1.00 0.00 H ATOM 1001 H LYS A 62 18.651 21.086 18.740 1.00 0.00 H ATOM 1002 N ILE A 63 16.544 19.917 15.194 1.00 13.53 N ATOM 1003 CA ILE A 63 16.332 18.690 14.453 1.00 13.45 C ATOM 1004 C ILE A 63 16.898 19.016 13.071 1.00 15.63 C ATOM 1005 O ILE A 63 16.515 20.066 12.414 1.00 14.98 O ATOM 1006 CB ILE A 63 14.818 18.392 14.290 1.00 13.15 C ATOM 1007 CG1 ILE A 63 14.186 18.057 15.680 1.00 12.74 C ATOM 1008 CG2 ILE A 63 14.568 17.274 13.281 1.00 12.31 C ATOM 1009 CD1 ILE A 63 12.686 17.674 15.551 1.00 11.71 C ATOM 1010 HA ILE A 63 16.787 17.831 14.946 1.00 0.00 H ATOM 1011 HB ILE A 63 14.335 19.286 13.895 1.00 0.00 H ATOM 1012 HG12 ILE A 63 14.728 17.221 16.123 1.00 0.00 H ATOM 1013 HG13 ILE A 63 14.274 18.929 16.328 1.00 0.00 H ATOM 1014 HD11 ILE A 63 12.136 18.508 15.115 1.00 0.00 H ATOM 1015 HD12 ILE A 63 12.590 16.798 14.909 1.00 0.00 H ATOM 1016 HD13 ILE A 63 12.284 17.448 16.539 1.00 0.00 H ATOM 1017 HG21 ILE A 63 14.967 17.567 12.310 1.00 0.00 H ATOM 1018 HG22 ILE A 63 15.063 16.364 13.619 1.00 0.00 H ATOM 1019 HG23 ILE A 63 13.496 17.096 13.196 1.00 0.00 H ATOM 1020 H ILE A 63 15.951 20.742 14.973 1.00 0.00 H ATOM 1021 N ARG A 64 17.828 18.167 12.630 1.00 17.89 N ATOM 1022 CA ARG A 64 18.474 18.272 11.302 1.00 20.66 C ATOM 1023 C ARG A 64 17.754 17.374 10.301 1.00 20.18 C ATOM 1024 O ARG A 64 17.235 16.357 10.623 1.00 17.37 O ATOM 1025 CB ARG A 64 20.007 17.891 11.386 1.00 23.91 C ATOM 1026 CG ARG A 64 20.842 18.659 12.557 1.00 29.20 C ATOM 1027 CD ARG A 64 20.330 20.044 13.114 1.00 36.15 C ATOM 1028 NE ARG A 64 19.624 20.856 12.095 1.00 42.31 N ATOM 1029 CZ ARG A 64 20.240 21.486 11.082 1.00 45.69 C ATOM 1030 NH1 ARG A 64 21.576 21.429 11.007 1.00 47.52 N ATOM 1031 NH2 ARG A 64 19.547 21.954 10.022 1.00 46.20 N ATOM 1032 HA ARG A 64 18.404 19.306 10.965 1.00 0.00 H ATOM 1033 HB2 ARG A 64 20.080 16.818 11.565 1.00 0.00 H ATOM 1034 HB3 ARG A 64 20.469 18.130 10.428 1.00 0.00 H ATOM 1035 HG2 ARG A 64 20.892 17.978 13.406 1.00 0.00 H ATOM 1036 HG3 ARG A 64 21.846 18.828 12.168 1.00 0.00 H ATOM 1037 HD2 ARG A 64 21.188 20.611 13.476 1.00 0.00 H ATOM 1038 HD3 ARG A 64 19.646 19.854 13.941 1.00 0.00 H ATOM 1039 HE ARG A 64 18.590 20.943 12.169 1.00 0.00 H ATOM 1040 HH12 ARG A 64 22.074 21.910 10.231 1.00 0.00 H ATOM 1041 HH11 ARG A 64 22.115 20.904 11.725 1.00 0.00 H ATOM 1042 HH22 ARG A 64 20.045 22.439 9.248 1.00 0.00 H ATOM 1043 HH21 ARG A 64 18.515 21.829 9.979 1.00 0.00 H ATOM 1044 H ARG A 64 18.116 17.387 13.255 1.00 0.00 H ATOM 1045 N LYS A 65 17.711 17.823 9.074 1.00 23.18 N ATOM 1046 CA LYS A 65 17.070 17.067 8.016 1.00 27.28 C ATOM 1047 C LYS A 65 18.109 16.949 6.916 1.00 30.33 C ATOM 1048 O LYS A 65 18.567 17.994 6.394 1.00 29.86 O ATOM 1049 CB LYS A 65 15.855 17.837 7.472 1.00 28.50 C ATOM 1050 CG LYS A 65 15.329 17.269 6.162 1.00 30.12 C ATOM 1051 CD LYS A 65 15.144 15.682 6.285 1.00 32.10 C ATOM 1052 CE LYS A 65 14.788 14.975 4.975 1.00 33.56 C ATOM 1053 NZ LYS A 65 13.873 15.754 4.102 1.00 35.52 N ATOM 1054 HA LYS A 65 16.724 16.097 8.374 1.00 0.00 H ATOM 1055 HB2 LYS A 65 15.057 17.797 8.214 1.00 0.00 H ATOM 1056 HB3 LYS A 65 16.146 18.875 7.309 1.00 0.00 H ATOM 1057 HG2 LYS A 65 14.368 17.727 5.930 1.00 0.00 H ATOM 1058 HG3 LYS A 65 16.037 17.489 5.363 1.00 0.00 H ATOM 1059 HD2 LYS A 65 16.077 15.259 6.656 1.00 0.00 H ATOM 1060 HD3 LYS A 65 14.347 15.488 7.003 1.00 0.00 H ATOM 1061 HE2 LYS A 65 14.309 14.026 5.216 1.00 0.00 H ATOM 1062 HE3 LYS A 65 15.710 14.786 4.425 1.00 0.00 H ATOM 1063 HZ1 LYS A 65 12.982 15.934 4.608 1.00 0.00 H ATOM 1064 HZ2 LYS A 65 14.320 16.659 3.853 1.00 0.00 H ATOM 1065 HZ3 LYS A 65 13.678 15.213 3.236 1.00 0.00 H ATOM 1066 H LYS A 65 18.146 18.741 8.852 1.00 0.00 H ATOM 1067 N LEU A 66 18.512 15.710 6.618 1.00 33.75 N ATOM 1068 CA LEU A 66 19.477 15.368 5.543 1.00 37.16 C ATOM 1069 C LEU A 66 18.847 15.435 4.152 1.00 39.01 C ATOM 1070 O LEU A 66 17.609 15.165 3.995 1.00 38.54 O ATOM 1071 CB LEU A 66 20.026 13.918 5.740 1.00 37.38 C ATOM 1072 CG LEU A 66 20.935 13.914 6.871 1.00 37.72 C ATOM 1073 CD1 LEU A 66 21.464 12.520 7.185 1.00 38.43 C ATOM 1074 CD2 LEU A 66 22.028 14.860 6.536 1.00 38.28 C ATOM 1075 HA LEU A 66 20.278 16.104 5.610 1.00 0.00 H ATOM 1076 HB2 LEU A 66 19.198 13.235 5.932 1.00 0.00 H ATOM 1077 HB3 LEU A 66 20.556 13.601 4.842 1.00 0.00 H ATOM 1078 HG LEU A 66 20.416 14.226 7.778 1.00 0.00 H ATOM 1079 HD21 LEU A 66 22.532 14.525 5.629 1.00 0.00 H ATOM 1080 HD22 LEU A 66 21.610 15.854 6.375 1.00 0.00 H ATOM 1081 HD23 LEU A 66 22.742 14.894 7.359 1.00 0.00 H ATOM 1082 HD11 LEU A 66 20.629 11.860 7.421 1.00 0.00 H ATOM 1083 HD12 LEU A 66 22.001 12.133 6.319 1.00 0.00 H ATOM 1084 HD13 LEU A 66 22.139 12.573 8.039 1.00 0.00 H ATOM 1085 H LEU A 66 18.121 14.928 7.181 1.00 0.00 H ATOM 1086 N ASP A 67 19.646 15.857 3.159 1.00 41.41 N ATOM 1087 CA ASP A 67 19.181 15.898 1.752 1.00 43.75 C ATOM 1088 C ASP A 67 18.987 14.447 1.295 1.00 43.73 C ATOM 1089 O ASP A 67 18.108 14.143 0.424 1.00 43.13 O ATOM 1090 CB ASP A 67 20.197 16.654 0.825 1.00 46.45 C ATOM 1091 CG ASP A 67 19.607 17.957 0.286 1.00 48.52 C ATOM 1092 OD1 ASP A 67 19.032 17.941 -0.849 1.00 49.38 O ATOM 1093 OD2 ASP A 67 19.660 18.975 1.037 1.00 49.74 O ATOM 1094 HA ASP A 67 18.244 16.451 1.684 1.00 0.00 H ATOM 1095 HB2 ASP A 67 21.096 16.883 1.398 1.00 0.00 H ATOM 1096 HB3 ASP A 67 20.457 16.009 -0.015 1.00 0.00 H ATOM 1097 H ASP A 67 20.615 16.163 3.382 1.00 0.00 H ATOM 1098 N SER A 68 19.792 13.585 1.947 1.00 43.83 N ATOM 1099 CA SER A 68 19.806 12.111 1.848 1.00 44.15 C ATOM 1100 C SER A 68 18.620 11.468 2.593 1.00 43.48 C ATOM 1101 O SER A 68 18.614 10.220 2.822 1.00 44.55 O ATOM 1102 CB SER A 68 21.013 11.596 2.445 1.00 44.07 C ATOM 1103 OG SER A 68 22.057 12.214 1.757 1.00 47.08 O ATOM 1104 HA SER A 68 19.742 11.866 0.788 1.00 0.00 H ATOM 1105 HB2 SER A 68 21.066 10.514 2.327 1.00 0.00 H ATOM 1106 HB3 SER A 68 21.052 11.847 3.505 1.00 0.00 H ATOM 1107 HG SER A 68 22.922 11.901 2.122 1.00 0.00 H ATOM 1108 H SER A 68 20.485 14.007 2.597 1.00 0.00 H ATOM 1109 N GLY A 69 17.743 12.314 3.148 1.00 41.70 N ATOM 1110 CA GLY A 69 16.540 11.826 3.777 1.00 37.77 C ATOM 1111 C GLY A 69 16.405 11.670 5.259 1.00 35.13 C ATOM 1112 O GLY A 69 15.251 11.697 5.756 1.00 36.70 O ATOM 1113 HA3 GLY A 69 16.357 10.839 3.352 1.00 0.00 H ATOM 1114 HA2 GLY A 69 15.744 12.505 3.472 1.00 0.00 H ATOM 1115 H GLY A 69 17.932 13.337 3.125 1.00 0.00 H ATOM 1116 N GLY A 70 17.492 11.594 6.014 1.00 32.17 N ATOM 1117 CA GLY A 70 17.253 11.350 7.429 1.00 27.10 C ATOM 1118 C GLY A 70 16.989 12.507 8.332 1.00 23.64 C ATOM 1119 O GLY A 70 17.582 13.548 8.123 1.00 23.83 O ATOM 1120 HA3 GLY A 70 18.133 10.837 7.817 1.00 0.00 H ATOM 1121 HA2 GLY A 70 16.389 10.689 7.497 1.00 0.00 H ATOM 1122 H GLY A 70 18.449 11.701 5.622 1.00 0.00 H ATOM 1123 N PHE A 71 16.095 12.318 9.313 1.00 20.20 N ATOM 1124 CA PHE A 71 15.840 13.335 10.376 1.00 16.99 C ATOM 1125 C PHE A 71 16.594 12.930 11.662 1.00 15.02 C ATOM 1126 O PHE A 71 16.558 11.740 12.050 1.00 14.31 O ATOM 1127 CB PHE A 71 14.363 13.424 10.762 1.00 16.20 C ATOM 1128 CG PHE A 71 13.501 13.965 9.666 1.00 17.15 C ATOM 1129 CD1 PHE A 71 13.077 13.118 8.598 1.00 16.71 C ATOM 1130 CD2 PHE A 71 13.165 15.333 9.651 1.00 16.87 C ATOM 1131 CE1 PHE A 71 12.336 13.642 7.531 1.00 18.22 C ATOM 1132 CE2 PHE A 71 12.431 15.845 8.591 1.00 18.82 C ATOM 1133 CZ PHE A 71 12.014 14.997 7.525 1.00 17.66 C ATOM 1134 HA PHE A 71 16.172 14.292 9.973 1.00 0.00 H ATOM 1135 HB2 PHE A 71 14.011 12.425 11.020 1.00 0.00 H ATOM 1136 HB3 PHE A 71 14.270 14.076 11.631 1.00 0.00 H ATOM 1137 HD2 PHE A 71 13.479 15.984 10.466 1.00 0.00 H ATOM 1138 HE2 PHE A 71 12.172 16.904 8.574 1.00 0.00 H ATOM 1139 HZ PHE A 71 11.438 15.412 6.698 1.00 0.00 H ATOM 1140 HE1 PHE A 71 12.015 12.996 6.714 1.00 0.00 H ATOM 1141 HD1 PHE A 71 13.331 12.058 8.613 1.00 0.00 H ATOM 1142 H PHE A 71 15.558 11.428 9.334 1.00 0.00 H ATOM 1143 N TYR A 72 17.244 13.887 12.335 1.00 13.51 N ATOM 1144 CA TYR A 72 17.874 13.535 13.585 1.00 11.67 C ATOM 1145 C TYR A 72 18.186 14.746 14.460 1.00 11.37 C ATOM 1146 O TYR A 72 18.179 15.890 13.982 1.00 10.61 O ATOM 1147 CB TYR A 72 19.093 12.785 13.314 1.00 12.90 C ATOM 1148 CG TYR A 72 20.150 13.587 12.559 1.00 13.54 C ATOM 1149 CD1 TYR A 72 21.055 14.424 13.238 1.00 13.02 C ATOM 1150 CD2 TYR A 72 20.222 13.531 11.172 1.00 15.47 C ATOM 1151 CE1 TYR A 72 21.994 15.195 12.566 1.00 15.32 C ATOM 1152 CE2 TYR A 72 21.184 14.300 10.457 1.00 18.57 C ATOM 1153 CZ TYR A 72 22.058 15.139 11.186 1.00 17.70 C ATOM 1154 OH TYR A 72 22.918 15.968 10.483 1.00 20.82 O ATOM 1155 HA TYR A 72 17.166 12.924 14.145 1.00 0.00 H ATOM 1156 HB3 TYR A 72 18.834 11.910 12.718 1.00 0.00 H ATOM 1157 HB2 TYR A 72 19.518 12.463 14.265 1.00 0.00 H ATOM 1158 HD2 TYR A 72 19.532 12.889 10.624 1.00 0.00 H ATOM 1159 HE2 TYR A 72 21.245 14.243 9.370 1.00 0.00 H ATOM 1160 HE1 TYR A 72 22.675 15.839 13.122 1.00 0.00 H ATOM 1161 HD1 TYR A 72 21.018 14.468 14.326 1.00 0.00 H ATOM 1162 HH TYR A 72 23.464 16.492 11.121 1.00 0.00 H ATOM 1163 H TYR A 72 17.294 14.858 11.967 1.00 0.00 H ATOM 1164 N ILE A 73 18.359 14.450 15.755 1.00 10.92 N ATOM 1165 CA ILE A 73 18.866 15.384 16.740 1.00 11.26 C ATOM 1166 C ILE A 73 20.351 15.048 16.828 1.00 10.99 C ATOM 1167 O ILE A 73 21.149 15.919 16.738 1.00 13.28 O ATOM 1168 CB ILE A 73 18.161 15.308 18.109 1.00 10.83 C ATOM 1169 CG1 ILE A 73 16.732 15.659 17.894 1.00 10.85 C ATOM 1170 CG2 ILE A 73 18.860 16.279 19.131 1.00 8.95 C ATOM 1171 CD1 ILE A 73 15.940 15.705 19.176 1.00 11.14 C ATOM 1172 HA ILE A 73 18.678 16.415 16.440 1.00 0.00 H ATOM 1173 HB ILE A 73 18.227 14.306 18.534 1.00 0.00 H ATOM 1174 HG12 ILE A 73 16.682 16.639 17.418 1.00 0.00 H ATOM 1175 HG13 ILE A 73 16.286 14.914 17.236 1.00 0.00 H ATOM 1176 HD11 ILE A 73 15.974 14.728 19.658 1.00 0.00 H ATOM 1177 HD12 ILE A 73 16.370 16.454 19.841 1.00 0.00 H ATOM 1178 HD13 ILE A 73 14.905 15.966 18.953 1.00 0.00 H ATOM 1179 HG21 ILE A 73 19.904 15.990 19.249 1.00 0.00 H ATOM 1180 HG22 ILE A 73 18.805 17.301 18.755 1.00 0.00 H ATOM 1181 HG23 ILE A 73 18.353 16.217 20.094 1.00 0.00 H ATOM 1182 H ILE A 73 18.114 13.491 16.073 1.00 0.00 H ATOM 1183 N THR A 74 20.717 13.793 16.998 1.00 10.38 N ATOM 1184 CA THR A 74 22.115 13.396 16.977 1.00 11.06 C ATOM 1185 C THR A 74 22.299 12.557 15.720 1.00 12.46 C ATOM 1186 O THR A 74 21.422 11.685 15.386 1.00 12.47 O ATOM 1187 CB THR A 74 22.569 12.648 18.206 1.00 11.21 C ATOM 1188 OG1 THR A 74 23.943 12.216 17.995 1.00 12.57 O ATOM 1189 CG2 THR A 74 21.621 11.498 18.571 1.00 11.69 C ATOM 1190 HA THR A 74 22.739 14.290 16.973 1.00 0.00 H ATOM 1191 HB THR A 74 22.539 13.309 19.072 1.00 0.00 H ATOM 1192 HG1 THR A 74 24.259 11.722 18.793 1.00 0.00 H ATOM 1193 HG23 THR A 74 20.614 11.890 18.714 1.00 0.00 H ATOM 1194 HG21 THR A 74 21.615 10.764 17.765 1.00 0.00 H ATOM 1195 HG22 THR A 74 21.963 11.026 19.492 1.00 0.00 H ATOM 1196 H THR A 74 19.987 13.068 17.151 1.00 0.00 H ATOM 1197 N SER A 75 23.373 12.801 14.972 1.00 12.69 N ATOM 1198 CA SER A 75 23.547 12.081 13.716 1.00 14.26 C ATOM 1199 C SER A 75 23.651 10.606 13.920 1.00 13.70 C ATOM 1200 O SER A 75 23.495 9.874 12.944 1.00 13.82 O ATOM 1201 CB SER A 75 24.855 12.595 12.923 1.00 15.19 C ATOM 1202 OG SER A 75 25.959 12.280 13.746 1.00 15.89 O ATOM 1203 HA SER A 75 22.656 12.287 13.123 1.00 0.00 H ATOM 1204 HB2 SER A 75 24.800 13.671 12.758 1.00 0.00 H ATOM 1205 HB3 SER A 75 24.941 12.086 11.963 1.00 0.00 H ATOM 1206 HG SER A 75 25.991 11.301 13.893 1.00 0.00 H ATOM 1207 H SER A 75 24.081 13.498 15.280 1.00 0.00 H ATOM 1208 N ARG A 76 24.008 10.168 15.147 1.00 14.37 N ATOM 1209 CA ARG A 76 24.093 8.745 15.435 1.00 16.09 C ATOM 1210 C ARG A 76 22.722 8.053 15.441 1.00 16.38 C ATOM 1211 O ARG A 76 22.627 6.817 15.186 1.00 16.84 O ATOM 1212 CB ARG A 76 24.797 8.502 16.753 1.00 18.44 C ATOM 1213 CG ARG A 76 26.289 8.920 16.653 1.00 26.39 C ATOM 1214 CD ARG A 76 27.223 8.519 17.822 1.00 33.26 C ATOM 1215 NE ARG A 76 28.302 9.509 18.158 1.00 38.40 N ATOM 1216 CZ ARG A 76 29.626 9.271 18.030 1.00 39.70 C ATOM 1217 NH1 ARG A 76 30.064 8.102 17.544 1.00 40.77 N ATOM 1218 NH2 ARG A 76 30.514 10.109 18.564 1.00 40.37 N ATOM 1219 HA ARG A 76 24.675 8.305 14.625 1.00 0.00 H ATOM 1220 HB2 ARG A 76 24.311 9.087 17.534 1.00 0.00 H ATOM 1221 HB3 ARG A 76 24.736 7.443 17.003 1.00 0.00 H ATOM 1222 HG2 ARG A 76 26.693 8.474 15.744 1.00 0.00 H ATOM 1223 HG3 ARG A 76 26.319 10.006 16.568 1.00 0.00 H ATOM 1224 HD2 ARG A 76 27.702 7.576 17.561 1.00 0.00 H ATOM 1225 HD3 ARG A 76 26.608 8.378 18.711 1.00 0.00 H ATOM 1226 HE ARG A 76 28.010 10.442 18.514 1.00 0.00 H ATOM 1227 HH12 ARG A 76 31.085 7.928 17.449 1.00 0.00 H ATOM 1228 HH11 ARG A 76 29.383 7.368 17.262 1.00 0.00 H ATOM 1229 HH22 ARG A 76 31.532 9.922 18.463 1.00 0.00 H ATOM 1230 HH21 ARG A 76 30.189 10.950 19.082 1.00 0.00 H ATOM 1231 H ARG A 76 24.225 10.857 15.895 1.00 0.00 H ATOM 1232 N THR A 77 21.643 8.834 15.603 1.00 15.11 N ATOM 1233 CA THR A 77 20.294 8.240 15.692 1.00 13.93 C ATOM 1234 C THR A 77 19.341 8.917 14.717 1.00 13.33 C ATOM 1235 O THR A 77 18.751 9.862 15.051 1.00 12.53 O ATOM 1236 CB THR A 77 19.864 8.337 17.177 1.00 13.53 C ATOM 1237 OG1 THR A 77 20.938 7.771 17.988 1.00 15.61 O ATOM 1238 CG2 THR A 77 18.562 7.599 17.455 1.00 13.11 C ATOM 1239 HA THR A 77 20.283 7.191 15.395 1.00 0.00 H ATOM 1240 HB THR A 77 19.687 9.384 17.424 1.00 0.00 H ATOM 1241 HG1 THR A 77 20.689 7.820 18.945 1.00 0.00 H ATOM 1242 HG23 THR A 77 17.766 8.027 16.846 1.00 0.00 H ATOM 1243 HG21 THR A 77 18.683 6.545 17.207 1.00 0.00 H ATOM 1244 HG22 THR A 77 18.308 7.699 18.510 1.00 0.00 H ATOM 1245 H THR A 77 21.758 9.866 15.666 1.00 0.00 H ATOM 1246 N GLN A 78 19.190 8.359 13.511 1.00 12.88 N ATOM 1247 CA GLN A 78 18.370 8.991 12.488 1.00 13.77 C ATOM 1248 C GLN A 78 17.078 8.242 12.221 1.00 14.28 C ATOM 1249 O GLN A 78 16.956 6.987 12.503 1.00 12.90 O ATOM 1250 CB GLN A 78 19.118 9.096 11.285 1.00 14.97 C ATOM 1251 CG GLN A 78 20.525 9.735 11.551 1.00 16.41 C ATOM 1252 CD GLN A 78 21.294 10.057 10.256 1.00 19.46 C ATOM 1253 OE1 GLN A 78 22.453 10.280 10.307 1.00 22.29 O ATOM 1254 NE2 GLN A 78 20.619 10.128 9.124 1.00 19.48 N ATOM 1255 HA GLN A 78 18.094 9.979 12.858 1.00 0.00 H ATOM 1256 HB2 GLN A 78 19.253 8.101 10.861 1.00 0.00 H ATOM 1257 HB3 GLN A 78 18.571 9.720 10.578 1.00 0.00 H ATOM 1258 HG2 GLN A 78 20.387 10.659 12.112 1.00 0.00 H ATOM 1259 HG3 GLN A 78 21.117 9.037 12.143 1.00 0.00 H ATOM 1260 HE22 GLN A 78 19.599 9.926 9.113 1.00 0.00 H ATOM 1261 HE21 GLN A 78 21.107 10.386 8.243 1.00 0.00 H ATOM 1262 H GLN A 78 19.666 7.459 13.301 1.00 0.00 H ATOM 1263 N PHE A 79 16.142 8.973 11.641 1.00 14.31 N ATOM 1264 CA PHE A 79 14.807 8.488 11.290 1.00 15.04 C ATOM 1265 C PHE A 79 14.392 8.879 9.853 1.00 16.29 C ATOM 1266 O PHE A 79 14.827 9.957 9.302 1.00 16.10 O ATOM 1267 CB PHE A 79 13.736 9.043 12.318 1.00 13.78 C ATOM 1268 CG PHE A 79 14.087 8.751 13.688 1.00 12.34 C ATOM 1269 CD1 PHE A 79 14.906 9.613 14.388 1.00 12.14 C ATOM 1270 CD2 PHE A 79 13.750 7.538 14.249 1.00 9.92 C ATOM 1271 CE1 PHE A 79 15.410 9.235 15.672 1.00 12.30 C ATOM 1272 CE2 PHE A 79 14.223 7.182 15.477 1.00 11.39 C ATOM 1273 CZ PHE A 79 15.076 8.033 16.214 1.00 10.35 C ATOM 1274 HA PHE A 79 14.844 7.400 11.338 1.00 0.00 H ATOM 1275 HB2 PHE A 79 13.662 10.124 12.198 1.00 0.00 H ATOM 1276 HB3 PHE A 79 12.770 8.587 12.099 1.00 0.00 H ATOM 1277 HD2 PHE A 79 13.098 6.855 13.704 1.00 0.00 H ATOM 1278 HE2 PHE A 79 13.936 6.219 15.900 1.00 0.00 H ATOM 1279 HZ PHE A 79 15.456 7.735 17.191 1.00 0.00 H ATOM 1280 HE1 PHE A 79 16.065 9.913 16.219 1.00 0.00 H ATOM 1281 HD1 PHE A 79 15.169 10.582 13.963 1.00 0.00 H ATOM 1282 H PHE A 79 16.371 9.963 11.418 1.00 0.00 H ATOM 1283 N ASN A 80 13.502 8.059 9.282 1.00 18.23 N ATOM 1284 CA ASN A 80 12.986 8.258 7.927 1.00 19.25 C ATOM 1285 C ASN A 80 11.974 9.412 7.892 1.00 19.64 C ATOM 1286 O ASN A 80 11.723 10.010 6.838 1.00 20.67 O ATOM 1287 CB ASN A 80 12.312 6.900 7.395 1.00 20.41 C ATOM 1288 CG ASN A 80 13.349 5.744 7.216 1.00 22.56 C ATOM 1289 OD1 ASN A 80 14.564 6.009 6.927 1.00 22.88 O ATOM 1290 ND2 ASN A 80 12.908 4.473 7.443 1.00 21.93 N ATOM 1291 HA ASN A 80 13.817 8.521 7.272 1.00 0.00 H ATOM 1292 HB2 ASN A 80 11.554 6.582 8.111 1.00 0.00 H ATOM 1293 HB3 ASN A 80 11.840 7.098 6.433 1.00 0.00 H ATOM 1294 HD22 ASN A 80 11.909 4.303 7.676 1.00 0.00 H ATOM 1295 HD21 ASN A 80 13.571 3.674 7.383 1.00 0.00 H ATOM 1296 H ASN A 80 13.161 7.242 9.827 1.00 0.00 H ATOM 1297 N SER A 81 11.415 9.768 9.045 1.00 18.78 N ATOM 1298 CA SER A 81 10.442 10.857 9.087 1.00 17.85 C ATOM 1299 C SER A 81 10.471 11.576 10.448 1.00 17.18 C ATOM 1300 O SER A 81 10.948 11.019 11.461 1.00 16.85 O ATOM 1301 CB SER A 81 9.027 10.287 8.878 1.00 16.74 C ATOM 1302 OG SER A 81 8.726 9.338 9.888 1.00 15.67 O ATOM 1303 HA SER A 81 10.698 11.566 8.300 1.00 0.00 H ATOM 1304 HB2 SER A 81 8.974 9.804 7.902 1.00 0.00 H ATOM 1305 HB3 SER A 81 8.302 11.100 8.920 1.00 0.00 H ATOM 1306 HG SER A 81 9.383 8.598 9.850 1.00 0.00 H ATOM 1307 H SER A 81 11.672 9.269 9.921 1.00 0.00 H ATOM 1308 N LEU A 82 9.948 12.799 10.468 1.00 15.85 N ATOM 1309 CA LEU A 82 9.856 13.551 11.691 1.00 15.01 C ATOM 1310 C LEU A 82 8.877 12.816 12.637 1.00 13.83 C ATOM 1311 O LEU A 82 9.019 12.875 13.854 1.00 13.00 O ATOM 1312 CB LEU A 82 9.361 14.979 11.342 1.00 18.58 C ATOM 1313 CG LEU A 82 9.598 16.160 12.241 1.00 21.31 C ATOM 1314 CD1 LEU A 82 11.004 16.144 12.826 1.00 21.84 C ATOM 1315 CD2 LEU A 82 9.345 17.441 11.396 1.00 22.18 C ATOM 1316 HA LEU A 82 10.819 13.635 12.194 1.00 0.00 H ATOM 1317 HB2 LEU A 82 9.816 15.231 10.384 1.00 0.00 H ATOM 1318 HB3 LEU A 82 8.280 14.903 11.220 1.00 0.00 H ATOM 1319 HG LEU A 82 8.919 16.129 13.093 1.00 0.00 H ATOM 1320 HD21 LEU A 82 10.033 17.459 10.550 1.00 0.00 H ATOM 1321 HD22 LEU A 82 8.318 17.437 11.031 1.00 0.00 H ATOM 1322 HD23 LEU A 82 9.508 18.322 12.017 1.00 0.00 H ATOM 1323 HD11 LEU A 82 11.143 15.233 13.408 1.00 0.00 H ATOM 1324 HD12 LEU A 82 11.733 16.174 12.017 1.00 0.00 H ATOM 1325 HD13 LEU A 82 11.138 17.013 13.470 1.00 0.00 H ATOM 1326 H LEU A 82 9.599 13.219 9.583 1.00 0.00 H ATOM 1327 N GLN A 83 7.901 12.093 12.084 1.00 12.36 N ATOM 1328 CA GLN A 83 6.928 11.383 12.893 1.00 13.17 C ATOM 1329 C GLN A 83 7.615 10.267 13.625 1.00 13.34 C ATOM 1330 O GLN A 83 7.364 10.052 14.819 1.00 12.10 O ATOM 1331 CB GLN A 83 5.759 10.816 12.036 1.00 15.68 C ATOM 1332 CG GLN A 83 4.864 11.995 11.448 1.00 21.30 C ATOM 1333 CD GLN A 83 5.297 12.643 10.060 1.00 22.94 C ATOM 1334 OE1 GLN A 83 4.411 13.227 9.326 1.00 27.79 O ATOM 1335 NE2 GLN A 83 6.547 12.545 9.678 1.00 21.65 N ATOM 1336 HA GLN A 83 6.497 12.090 13.602 1.00 0.00 H ATOM 1337 HB2 GLN A 83 6.170 10.234 11.211 1.00 0.00 H ATOM 1338 HB3 GLN A 83 5.138 10.173 12.659 1.00 0.00 H ATOM 1339 HG2 GLN A 83 3.854 11.604 11.322 1.00 0.00 H ATOM 1340 HG3 GLN A 83 4.853 12.794 12.189 1.00 0.00 H ATOM 1341 HE22 GLN A 83 7.242 12.069 10.289 1.00 0.00 H ATOM 1342 HE21 GLN A 83 6.844 12.943 8.764 1.00 0.00 H ATOM 1343 H GLN A 83 7.836 12.037 11.048 1.00 0.00 H ATOM 1344 N GLN A 84 8.508 9.555 12.926 1.00 13.02 N ATOM 1345 CA GLN A 84 9.225 8.441 13.574 1.00 14.16 C ATOM 1346 C GLN A 84 10.171 8.917 14.661 1.00 11.69 C ATOM 1347 O GLN A 84 10.329 8.263 15.720 1.00 11.39 O ATOM 1348 CB GLN A 84 9.930 7.582 12.568 1.00 15.96 C ATOM 1349 CG GLN A 84 8.863 6.635 11.799 1.00 17.89 C ATOM 1350 CD GLN A 84 9.408 6.136 10.467 1.00 19.68 C ATOM 1351 OE1 GLN A 84 9.906 6.946 9.636 1.00 20.31 O ATOM 1352 NE2 GLN A 84 9.376 4.815 10.268 1.00 19.70 N ATOM 1353 HA GLN A 84 8.471 7.825 14.064 1.00 0.00 H ATOM 1354 HB2 GLN A 84 10.437 8.218 11.842 1.00 0.00 H ATOM 1355 HB3 GLN A 84 10.664 6.958 13.078 1.00 0.00 H ATOM 1356 HG2 GLN A 84 8.633 5.777 12.430 1.00 0.00 H ATOM 1357 HG3 GLN A 84 7.952 7.205 11.617 1.00 0.00 H ATOM 1358 HE22 GLN A 84 8.954 4.191 10.985 1.00 0.00 H ATOM 1359 HE21 GLN A 84 9.773 4.411 9.396 1.00 0.00 H ATOM 1360 H GLN A 84 8.695 9.787 11.930 1.00 0.00 H ATOM 1361 N LEU A 85 10.743 10.096 14.424 1.00 11.04 N ATOM 1362 CA LEU A 85 11.654 10.720 15.406 1.00 10.71 C ATOM 1363 C LEU A 85 10.810 11.055 16.664 1.00 9.26 C ATOM 1364 O LEU A 85 11.176 10.689 17.753 1.00 8.48 O ATOM 1365 CB LEU A 85 12.298 12.064 14.801 1.00 10.00 C ATOM 1366 CG LEU A 85 13.369 12.759 15.784 1.00 10.25 C ATOM 1367 CD1 LEU A 85 14.313 13.505 14.884 1.00 9.29 C ATOM 1368 CD2 LEU A 85 12.701 13.747 16.755 1.00 10.54 C ATOM 1369 HA LEU A 85 12.472 10.043 15.653 1.00 0.00 H ATOM 1370 HB2 LEU A 85 12.798 11.817 13.864 1.00 0.00 H ATOM 1371 HB3 LEU A 85 11.495 12.775 14.606 1.00 0.00 H ATOM 1372 HG LEU A 85 13.868 12.008 16.397 1.00 0.00 H ATOM 1373 HD21 LEU A 85 12.200 14.531 16.187 1.00 0.00 H ATOM 1374 HD22 LEU A 85 11.971 13.216 17.366 1.00 0.00 H ATOM 1375 HD23 LEU A 85 13.460 14.192 17.398 1.00 0.00 H ATOM 1376 HD11 LEU A 85 14.794 12.803 14.202 1.00 0.00 H ATOM 1377 HD12 LEU A 85 13.757 14.247 14.311 1.00 0.00 H ATOM 1378 HD13 LEU A 85 15.071 14.004 15.488 1.00 0.00 H ATOM 1379 H LEU A 85 10.544 10.588 13.529 1.00 0.00 H ATOM 1380 N VAL A 86 9.661 11.687 16.456 1.00 10.27 N ATOM 1381 CA VAL A 86 8.779 12.043 17.567 1.00 12.05 C ATOM 1382 C VAL A 86 8.334 10.783 18.288 1.00 12.54 C ATOM 1383 O VAL A 86 8.410 10.721 19.575 1.00 12.22 O ATOM 1384 CB VAL A 86 7.618 12.883 17.093 1.00 13.57 C ATOM 1385 CG1 VAL A 86 6.476 12.958 18.217 1.00 14.16 C ATOM 1386 CG2 VAL A 86 8.124 14.310 16.736 1.00 14.40 C ATOM 1387 HA VAL A 86 9.326 12.659 18.281 1.00 0.00 H ATOM 1388 HB VAL A 86 7.185 12.422 16.205 1.00 0.00 H ATOM 1389 HG11 VAL A 86 6.117 11.952 18.437 1.00 0.00 H ATOM 1390 HG12 VAL A 86 6.888 13.404 19.122 1.00 0.00 H ATOM 1391 HG13 VAL A 86 5.649 13.568 17.853 1.00 0.00 H ATOM 1392 HG21 VAL A 86 8.569 14.768 17.620 1.00 0.00 H ATOM 1393 HG22 VAL A 86 8.871 14.242 15.945 1.00 0.00 H ATOM 1394 HG23 VAL A 86 7.285 14.916 16.394 1.00 0.00 H ATOM 1395 H VAL A 86 9.383 11.934 15.485 1.00 0.00 H ATOM 1396 N ALA A 87 7.998 9.718 17.528 1.00 12.02 N ATOM 1397 CA ALA A 87 7.583 8.463 18.196 1.00 13.53 C ATOM 1398 C ALA A 87 8.724 7.793 18.991 1.00 13.14 C ATOM 1399 O ALA A 87 8.541 7.297 20.172 1.00 13.48 O ATOM 1400 CB ALA A 87 6.958 7.468 17.179 1.00 13.48 C ATOM 1401 HA ALA A 87 6.822 8.743 18.924 1.00 0.00 H ATOM 1402 HB1 ALA A 87 6.082 7.924 16.718 1.00 0.00 H ATOM 1403 HB2 ALA A 87 7.692 7.228 16.410 1.00 0.00 H ATOM 1404 HB3 ALA A 87 6.663 6.556 17.699 1.00 0.00 H ATOM 1405 H ALA A 87 8.030 9.778 16.490 1.00 0.00 H ATOM 1406 N TYR A 88 9.951 7.888 18.471 1.00 12.14 N ATOM 1407 CA TYR A 88 11.045 7.264 19.181 1.00 11.54 C ATOM 1408 C TYR A 88 11.311 8.000 20.499 1.00 11.20 C ATOM 1409 O TYR A 88 11.523 7.386 21.569 1.00 11.57 O ATOM 1410 CB TYR A 88 12.251 7.270 18.282 1.00 10.58 C ATOM 1411 CG TYR A 88 13.506 6.845 18.972 1.00 12.13 C ATOM 1412 CD1 TYR A 88 13.940 5.516 18.908 1.00 13.23 C ATOM 1413 CD2 TYR A 88 14.270 7.778 19.704 1.00 12.43 C ATOM 1414 CE1 TYR A 88 15.135 5.087 19.553 1.00 14.91 C ATOM 1415 CE2 TYR A 88 15.451 7.371 20.377 1.00 15.32 C ATOM 1416 CZ TYR A 88 15.886 6.025 20.287 1.00 15.47 C ATOM 1417 OH TYR A 88 17.051 5.701 20.898 1.00 16.25 O ATOM 1418 HA TYR A 88 10.799 6.234 19.438 1.00 0.00 H ATOM 1419 HB3 TYR A 88 12.392 8.281 17.899 1.00 0.00 H ATOM 1420 HB2 TYR A 88 12.066 6.590 17.450 1.00 0.00 H ATOM 1421 HD2 TYR A 88 13.951 8.819 19.753 1.00 0.00 H ATOM 1422 HE2 TYR A 88 16.022 8.092 20.962 1.00 0.00 H ATOM 1423 HE1 TYR A 88 15.463 4.050 19.480 1.00 0.00 H ATOM 1424 HD1 TYR A 88 13.348 4.790 18.350 1.00 0.00 H ATOM 1425 HH TYR A 88 16.977 5.888 21.867 1.00 0.00 H ATOM 1426 H TYR A 88 10.115 8.397 17.579 1.00 0.00 H ATOM 1427 N TYR A 89 11.379 9.327 20.430 1.00 11.34 N ATOM 1428 CA TYR A 89 11.687 10.126 21.650 1.00 9.43 C ATOM 1429 C TYR A 89 10.518 10.187 22.678 1.00 10.77 C ATOM 1430 O TYR A 89 10.620 10.829 23.653 1.00 10.51 O ATOM 1431 CB TYR A 89 12.218 11.505 21.270 1.00 8.54 C ATOM 1432 CG TYR A 89 13.656 11.420 20.735 1.00 8.24 C ATOM 1433 CD1 TYR A 89 13.957 11.690 19.381 1.00 7.44 C ATOM 1434 CD2 TYR A 89 14.711 11.032 21.583 1.00 8.32 C ATOM 1435 CE1 TYR A 89 15.227 11.595 18.924 1.00 6.84 C ATOM 1436 CE2 TYR A 89 16.008 10.893 21.076 1.00 8.26 C ATOM 1437 CZ TYR A 89 16.237 11.183 19.767 1.00 8.25 C ATOM 1438 OH TYR A 89 17.507 10.991 19.236 1.00 10.16 O ATOM 1439 HA TYR A 89 12.479 9.597 22.180 1.00 0.00 H ATOM 1440 HB3 TYR A 89 12.204 12.147 22.151 1.00 0.00 H ATOM 1441 HB2 TYR A 89 11.577 11.933 20.500 1.00 0.00 H ATOM 1442 HD2 TYR A 89 14.517 10.839 22.638 1.00 0.00 H ATOM 1443 HE2 TYR A 89 16.821 10.558 21.720 1.00 0.00 H ATOM 1444 HE1 TYR A 89 15.452 11.845 17.887 1.00 0.00 H ATOM 1445 HD1 TYR A 89 13.158 11.978 18.698 1.00 0.00 H ATOM 1446 HH TYR A 89 17.506 11.247 18.280 1.00 0.00 H ATOM 1447 H TYR A 89 11.217 9.808 19.522 1.00 0.00 H ATOM 1448 N SER A 90 9.372 9.595 22.327 1.00 12.05 N ATOM 1449 CA SER A 90 8.237 9.520 23.251 1.00 13.56 C ATOM 1450 C SER A 90 8.480 8.299 24.116 1.00 15.97 C ATOM 1451 O SER A 90 7.818 8.166 25.213 1.00 18.19 O ATOM 1452 CB SER A 90 6.951 9.357 22.553 1.00 12.52 C ATOM 1453 OG SER A 90 6.684 10.541 21.810 1.00 14.82 O ATOM 1454 HA SER A 90 8.171 10.446 23.823 1.00 0.00 H ATOM 1455 HB2 SER A 90 6.156 9.193 23.281 1.00 0.00 H ATOM 1456 HB3 SER A 90 7.005 8.503 21.877 1.00 0.00 H ATOM 1457 HG SER A 90 7.409 10.687 21.152 1.00 0.00 H ATOM 1458 H SER A 90 9.284 9.179 21.378 1.00 0.00 H ATOM 1459 N LYS A 91 9.389 7.407 23.699 1.00 15.39 N ATOM 1460 CA LYS A 91 9.697 6.189 24.505 1.00 16.67 C ATOM 1461 C LYS A 91 11.099 6.240 25.122 1.00 16.60 C ATOM 1462 O LYS A 91 11.346 5.652 26.175 1.00 19.10 O ATOM 1463 CB LYS A 91 9.631 4.948 23.654 1.00 17.28 C ATOM 1464 CG LYS A 91 8.363 4.850 22.888 1.00 22.57 C ATOM 1465 CD LYS A 91 7.281 4.321 23.897 1.00 26.01 C ATOM 1466 CE LYS A 91 6.326 3.564 22.757 1.00 27.16 C ATOM 1467 NZ LYS A 91 5.480 2.440 23.353 1.00 30.21 N ATOM 1468 HA LYS A 91 8.948 6.160 25.296 1.00 0.00 H ATOM 1469 HB2 LYS A 91 10.464 4.961 22.951 1.00 0.00 H ATOM 1470 HB3 LYS A 91 9.717 4.075 24.301 1.00 0.00 H ATOM 1471 HG2 LYS A 91 8.076 5.829 22.505 1.00 0.00 H ATOM 1472 HG3 LYS A 91 8.476 4.155 22.056 1.00 0.00 H ATOM 1473 HD2 LYS A 91 7.693 3.626 24.629 1.00 0.00 H ATOM 1474 HD3 LYS A 91 6.760 5.126 24.415 1.00 0.00 H ATOM 1475 HE2 LYS A 91 6.970 3.144 21.984 1.00 0.00 H ATOM 1476 HE3 LYS A 91 5.661 4.304 22.312 1.00 0.00 H ATOM 1477 HZ1 LYS A 91 6.105 1.723 23.774 1.00 0.00 H ATOM 1478 HZ2 LYS A 91 4.854 2.830 24.087 1.00 0.00 H ATOM 1479 HZ3 LYS A 91 4.907 2.004 22.603 1.00 0.00 H ATOM 1480 H LYS A 91 9.887 7.566 22.800 1.00 0.00 H ATOM 1481 N HIS A 92 12.017 6.971 24.498 1.00 15.14 N ATOM 1482 CA HIS A 92 13.371 7.059 25.029 1.00 14.85 C ATOM 1483 C HIS A 92 13.715 8.526 25.357 1.00 12.96 C ATOM 1484 O HIS A 92 13.542 9.409 24.524 1.00 12.21 O ATOM 1485 CB HIS A 92 14.458 6.513 23.971 1.00 16.16 C ATOM 1486 CG HIS A 92 14.012 5.291 23.233 1.00 18.96 C ATOM 1487 ND1 HIS A 92 14.614 4.055 23.392 1.00 20.76 N ATOM 1488 CD2 HIS A 92 12.974 5.102 22.370 1.00 20.30 C ATOM 1489 CE1 HIS A 92 13.963 3.155 22.661 1.00 18.10 C ATOM 1490 NE2 HIS A 92 12.963 3.765 22.040 1.00 21.83 N ATOM 1491 HA HIS A 92 13.407 6.444 25.928 1.00 0.00 H ATOM 1492 HB2 HIS A 92 14.659 7.301 23.245 1.00 0.00 H ATOM 1493 HB3 HIS A 92 15.375 6.275 24.510 1.00 0.00 H ATOM 1494 HD2 HIS A 92 12.284 5.864 22.009 1.00 0.00 H ATOM 1495 HE1 HIS A 92 14.210 2.096 22.585 1.00 0.00 H ATOM 1496 H HIS A 92 11.768 7.482 23.627 1.00 0.00 H ATOM 1497 N ALA A 93 14.235 8.754 26.565 1.00 13.36 N ATOM 1498 CA ALA A 93 14.633 10.110 26.933 1.00 12.91 C ATOM 1499 C ALA A 93 16.011 10.328 26.219 1.00 13.65 C ATOM 1500 O ALA A 93 16.193 11.370 25.580 1.00 15.01 O ATOM 1501 CB ALA A 93 14.769 10.273 28.445 1.00 12.25 C ATOM 1502 HA ALA A 93 13.886 10.843 26.629 1.00 0.00 H ATOM 1503 HB1 ALA A 93 13.812 10.057 28.920 1.00 0.00 H ATOM 1504 HB2 ALA A 93 15.525 9.582 28.817 1.00 0.00 H ATOM 1505 HB3 ALA A 93 15.066 11.296 28.674 1.00 0.00 H ATOM 1506 H ALA A 93 14.356 7.972 27.239 1.00 0.00 H ATOM 1507 N ASP A 94 16.895 9.300 26.238 1.00 12.25 N ATOM 1508 CA ASP A 94 18.236 9.397 25.632 1.00 11.54 C ATOM 1509 C ASP A 94 18.843 10.712 26.122 1.00 10.43 C ATOM 1510 O ASP A 94 18.978 10.894 27.358 1.00 11.29 O ATOM 1511 CB ASP A 94 18.165 9.302 24.109 1.00 10.19 C ATOM 1512 CG ASP A 94 18.034 7.897 23.626 1.00 12.49 C ATOM 1513 OD1 ASP A 94 17.749 7.003 24.450 1.00 13.69 O ATOM 1514 OD2 ASP A 94 18.178 7.677 22.417 1.00 14.73 O ATOM 1515 HA ASP A 94 18.871 8.564 25.934 1.00 0.00 H ATOM 1516 HB2 ASP A 94 17.302 9.872 23.763 1.00 0.00 H ATOM 1517 HB3 ASP A 94 19.075 9.732 23.690 1.00 0.00 H ATOM 1518 H ASP A 94 16.617 8.409 26.697 1.00 0.00 H ATOM 1519 N GLY A 95 19.223 11.609 25.231 1.00 9.36 N ATOM 1520 CA GLY A 95 19.815 12.870 25.688 1.00 12.04 C ATOM 1521 C GLY A 95 18.885 14.039 25.983 1.00 10.00 C ATOM 1522 O GLY A 95 19.317 15.118 26.352 1.00 12.31 O ATOM 1523 HA3 GLY A 95 20.512 13.198 24.916 1.00 0.00 H ATOM 1524 HA2 GLY A 95 20.365 12.655 26.604 1.00 0.00 H ATOM 1525 H GLY A 95 19.104 11.423 24.215 1.00 0.00 H ATOM 1526 N LEU A 96 17.601 13.815 25.845 1.00 10.88 N ATOM 1527 CA LEU A 96 16.591 14.867 26.077 1.00 11.50 C ATOM 1528 C LEU A 96 16.328 15.122 27.578 1.00 11.48 C ATOM 1529 O LEU A 96 16.515 14.252 28.411 1.00 11.57 O ATOM 1530 CB LEU A 96 15.252 14.459 25.447 1.00 12.03 C ATOM 1531 CG LEU A 96 15.189 14.217 23.860 1.00 12.61 C ATOM 1532 CD1 LEU A 96 13.703 13.988 23.407 1.00 14.31 C ATOM 1533 CD2 LEU A 96 15.754 15.335 23.139 1.00 14.86 C ATOM 1534 HA LEU A 96 16.991 15.775 25.626 1.00 0.00 H ATOM 1535 HB2 LEU A 96 14.941 13.531 25.926 1.00 0.00 H ATOM 1536 HB3 LEU A 96 14.534 15.245 25.681 1.00 0.00 H ATOM 1537 HG LEU A 96 15.778 13.329 23.631 1.00 0.00 H ATOM 1538 HD21 LEU A 96 15.194 16.239 23.376 1.00 0.00 H ATOM 1539 HD22 LEU A 96 16.796 15.465 23.431 1.00 0.00 H ATOM 1540 HD23 LEU A 96 15.697 15.141 22.068 1.00 0.00 H ATOM 1541 HD11 LEU A 96 13.299 13.115 23.919 1.00 0.00 H ATOM 1542 HD12 LEU A 96 13.108 14.866 23.659 1.00 0.00 H ATOM 1543 HD13 LEU A 96 13.674 13.825 22.330 1.00 0.00 H ATOM 1544 H LEU A 96 17.283 12.866 25.563 1.00 0.00 H ATOM 1545 N CYS A 97 15.765 16.282 27.903 1.00 11.75 N ATOM 1546 CA CYS A 97 15.456 16.564 29.276 1.00 12.02 C ATOM 1547 C CYS A 97 14.373 15.598 29.815 1.00 12.40 C ATOM 1548 O CYS A 97 14.320 15.385 31.055 1.00 13.23 O ATOM 1549 CB CYS A 97 15.024 18.033 29.423 1.00 11.61 C ATOM 1550 SG CYS A 97 13.584 18.469 28.413 1.00 13.39 S ATOM 1551 HA CYS A 97 16.352 16.406 29.877 1.00 0.00 H ATOM 1552 HB2 CYS A 97 15.858 18.669 29.127 1.00 0.00 H ATOM 1553 HB3 CYS A 97 14.780 18.218 30.469 1.00 0.00 H ATOM 1554 HG CYS A 97 13.272 19.799 28.610 1.00 0.00 H ATOM 1555 H CYS A 97 15.549 16.982 27.165 1.00 0.00 H ATOM 1556 N HIS A 98 13.533 15.002 28.953 1.00 12.53 N ATOM 1557 CA HIS A 98 12.465 14.075 29.372 1.00 12.29 C ATOM 1558 C HIS A 98 11.949 13.450 28.088 1.00 12.88 C ATOM 1559 O HIS A 98 12.119 14.021 27.017 1.00 13.31 O ATOM 1560 CB HIS A 98 11.296 14.884 30.060 1.00 11.14 C ATOM 1561 CG HIS A 98 10.311 14.023 30.780 1.00 12.39 C ATOM 1562 ND1 HIS A 98 9.237 13.421 30.153 1.00 11.85 N ATOM 1563 CD2 HIS A 98 10.285 13.575 32.058 1.00 13.55 C ATOM 1564 CE1 HIS A 98 8.606 12.630 31.001 1.00 12.45 C ATOM 1565 NE2 HIS A 98 9.225 12.699 32.163 1.00 13.39 N ATOM 1566 HA HIS A 98 12.828 13.331 30.081 1.00 0.00 H ATOM 1567 HB2 HIS A 98 11.734 15.579 30.776 1.00 0.00 H ATOM 1568 HB3 HIS A 98 10.765 15.444 29.290 1.00 0.00 H ATOM 1569 HD2 HIS A 98 10.974 13.855 32.855 1.00 0.00 H ATOM 1570 HE1 HIS A 98 7.727 12.025 30.779 1.00 0.00 H ATOM 1571 H HIS A 98 13.641 15.204 27.939 1.00 0.00 H ATOM 1572 N ARG A 99 11.381 12.254 28.149 1.00 12.64 N ATOM 1573 CA ARG A 99 10.795 11.647 26.928 1.00 13.16 C ATOM 1574 C ARG A 99 9.613 12.535 26.556 1.00 11.97 C ATOM 1575 O ARG A 99 9.016 13.221 27.448 1.00 10.99 O ATOM 1576 CB ARG A 99 10.212 10.192 27.272 1.00 15.43 C ATOM 1577 CG ARG A 99 8.871 10.272 27.881 1.00 17.14 C ATOM 1578 CD ARG A 99 8.341 8.741 28.038 1.00 22.02 C ATOM 1579 NE ARG A 99 7.029 8.654 28.726 1.00 22.84 N ATOM 1580 CZ ARG A 99 5.805 8.708 28.158 1.00 22.70 C ATOM 1581 NH1 ARG A 99 5.619 8.824 26.839 1.00 21.41 N ATOM 1582 NH2 ARG A 99 4.765 8.838 28.971 1.00 22.45 N ATOM 1583 HA ARG A 99 11.538 11.562 26.135 1.00 0.00 H ATOM 1584 HB2 ARG A 99 10.149 9.610 26.353 1.00 0.00 H ATOM 1585 HB3 ARG A 99 10.888 9.696 27.969 1.00 0.00 H ATOM 1586 HG2 ARG A 99 8.929 10.753 28.858 1.00 0.00 H ATOM 1587 HG3 ARG A 99 8.198 10.839 27.238 1.00 0.00 H ATOM 1588 HD2 ARG A 99 9.074 8.176 28.613 1.00 0.00 H ATOM 1589 HD3 ARG A 99 8.244 8.302 27.045 1.00 0.00 H ATOM 1590 HE ARG A 99 7.055 8.539 29.759 1.00 0.00 H ATOM 1591 HH12 ARG A 99 4.655 8.861 26.451 1.00 0.00 H ATOM 1592 HH11 ARG A 99 6.439 8.877 26.201 1.00 0.00 H ATOM 1593 HH22 ARG A 99 3.802 8.884 28.580 1.00 0.00 H ATOM 1594 HH21 ARG A 99 4.912 8.894 29.999 1.00 0.00 H ATOM 1595 H ARG A 99 11.346 11.741 29.053 1.00 0.00 H ATOM 1596 N LEU A 100 9.268 12.582 25.281 1.00 12.52 N ATOM 1597 CA LEU A 100 8.073 13.380 24.863 1.00 12.61 C ATOM 1598 C LEU A 100 6.802 12.695 25.403 1.00 12.87 C ATOM 1599 O LEU A 100 6.652 11.453 25.266 1.00 13.73 O ATOM 1600 CB LEU A 100 7.936 13.547 23.275 1.00 10.57 C ATOM 1601 CG LEU A 100 9.343 14.118 22.690 1.00 10.49 C ATOM 1602 CD1 LEU A 100 9.193 14.193 21.158 1.00 11.07 C ATOM 1603 CD2 LEU A 100 9.720 15.470 23.313 1.00 8.64 C ATOM 1604 HA LEU A 100 8.201 14.380 25.277 1.00 0.00 H ATOM 1605 HB2 LEU A 100 7.714 12.581 22.822 1.00 0.00 H ATOM 1606 HB3 LEU A 100 7.132 14.247 23.047 1.00 0.00 H ATOM 1607 HG LEU A 100 10.166 13.454 22.953 1.00 0.00 H ATOM 1608 HD21 LEU A 100 8.940 16.199 23.095 1.00 0.00 H ATOM 1609 HD22 LEU A 100 9.821 15.356 24.392 1.00 0.00 H ATOM 1610 HD23 LEU A 100 10.666 15.811 22.892 1.00 0.00 H ATOM 1611 HD11 LEU A 100 8.986 13.197 20.765 1.00 0.00 H ATOM 1612 HD12 LEU A 100 8.370 14.862 20.907 1.00 0.00 H ATOM 1613 HD13 LEU A 100 10.117 14.572 20.722 1.00 0.00 H ATOM 1614 H LEU A 100 9.825 12.066 24.570 1.00 0.00 H ATOM 1615 N THR A 101 5.881 13.529 25.910 1.00 11.38 N ATOM 1616 CA THR A 101 4.625 13.058 26.463 1.00 13.66 C ATOM 1617 C THR A 101 3.401 13.593 25.700 1.00 15.22 C ATOM 1618 O THR A 101 2.969 13.020 24.648 1.00 18.30 O ATOM 1619 CB THR A 101 4.551 13.350 28.013 1.00 13.07 C ATOM 1620 OG1 THR A 101 4.665 14.754 28.279 1.00 12.16 O ATOM 1621 CG2 THR A 101 5.613 12.642 28.745 1.00 11.09 C ATOM 1622 HA THR A 101 4.596 11.976 26.331 1.00 0.00 H ATOM 1623 HB THR A 101 3.580 12.991 28.355 1.00 0.00 H ATOM 1624 HG1 THR A 101 4.616 14.909 29.256 1.00 0.00 H ATOM 1625 HG23 THR A 101 5.536 11.572 28.550 1.00 0.00 H ATOM 1626 HG21 THR A 101 6.586 13.004 28.412 1.00 0.00 H ATOM 1627 HG22 THR A 101 5.501 12.827 29.813 1.00 0.00 H ATOM 1628 H THR A 101 6.075 14.551 25.906 1.00 0.00 H ATOM 1629 N THR A 102 2.989 14.787 26.040 1.00 15.77 N ATOM 1630 CA THR A 102 1.806 15.369 25.426 1.00 17.01 C ATOM 1631 C THR A 102 2.079 16.580 24.505 1.00 14.86 C ATOM 1632 O THR A 102 3.034 17.346 24.785 1.00 12.97 O ATOM 1633 CB THR A 102 0.776 15.785 26.605 1.00 19.04 C ATOM 1634 OG1 THR A 102 -0.334 16.438 25.998 1.00 25.49 O ATOM 1635 CG2 THR A 102 1.412 16.629 27.785 1.00 20.12 C ATOM 1636 HA THR A 102 1.385 14.609 24.768 1.00 0.00 H ATOM 1637 HB THR A 102 0.457 14.875 27.112 1.00 0.00 H ATOM 1638 HG1 THR A 102 -0.018 17.243 25.515 1.00 0.00 H ATOM 1639 HG23 THR A 102 2.254 16.081 28.209 1.00 0.00 H ATOM 1640 HG21 THR A 102 1.758 17.588 27.399 1.00 0.00 H ATOM 1641 HG22 THR A 102 0.660 16.797 28.556 1.00 0.00 H ATOM 1642 H THR A 102 3.514 15.327 26.758 1.00 0.00 H ATOM 1643 N VAL A 103 1.242 16.775 23.489 1.00 13.57 N ATOM 1644 CA VAL A 103 1.380 17.924 22.616 1.00 13.39 C ATOM 1645 C VAL A 103 0.994 19.185 23.418 1.00 13.30 C ATOM 1646 O VAL A 103 0.029 19.151 24.208 1.00 13.00 O ATOM 1647 CB VAL A 103 0.499 17.728 21.382 1.00 14.83 C ATOM 1648 CG1 VAL A 103 0.738 18.854 20.369 1.00 14.75 C ATOM 1649 CG2 VAL A 103 0.761 16.330 20.785 1.00 16.23 C ATOM 1650 HA VAL A 103 2.406 18.040 22.266 1.00 0.00 H ATOM 1651 HB VAL A 103 -0.553 17.779 21.663 1.00 0.00 H ATOM 1652 HG11 VAL A 103 0.497 19.812 20.829 1.00 0.00 H ATOM 1653 HG12 VAL A 103 1.784 18.850 20.063 1.00 0.00 H ATOM 1654 HG13 VAL A 103 0.102 18.698 19.497 1.00 0.00 H ATOM 1655 HG21 VAL A 103 1.810 16.248 20.502 1.00 0.00 H ATOM 1656 HG22 VAL A 103 0.524 15.569 21.528 1.00 0.00 H ATOM 1657 HG23 VAL A 103 0.134 16.189 19.905 1.00 0.00 H ATOM 1658 H VAL A 103 0.476 16.092 23.319 1.00 0.00 H ATOM 1659 N CYS A 104 1.716 20.284 23.236 1.00 12.03 N ATOM 1660 CA CYS A 104 1.464 21.523 23.952 1.00 13.12 C ATOM 1661 C CYS A 104 0.102 22.173 23.675 1.00 15.92 C ATOM 1662 O CYS A 104 -0.300 22.246 22.562 1.00 14.56 O ATOM 1663 CB CYS A 104 2.499 22.580 23.550 1.00 15.46 C ATOM 1664 SG CYS A 104 2.568 24.052 24.674 1.00 15.67 S ATOM 1665 HA CYS A 104 1.508 21.231 25.001 1.00 0.00 H ATOM 1666 HB2 CYS A 104 2.258 22.929 22.546 1.00 0.00 H ATOM 1667 HB3 CYS A 104 3.482 22.109 23.544 1.00 0.00 H ATOM 1668 HG CYS A 104 1.338 24.677 24.687 1.00 0.00 H ATOM 1669 H CYS A 104 2.497 20.257 22.550 1.00 0.00 H ATOM 1670 N PRO A 105 -0.618 22.619 24.715 1.00 17.64 N ATOM 1671 CA PRO A 105 -1.899 23.277 24.434 1.00 21.18 C ATOM 1672 C PRO A 105 -1.586 24.734 23.952 1.00 25.88 C ATOM 1673 O PRO A 105 -0.539 25.326 24.296 1.00 25.31 O ATOM 1674 CB PRO A 105 -2.537 23.436 25.849 1.00 20.85 C ATOM 1675 CG PRO A 105 -1.742 22.494 26.783 1.00 21.02 C ATOM 1676 CD PRO A 105 -0.340 22.567 26.174 1.00 19.43 C ATOM 1677 HA PRO A 105 -2.509 22.741 23.707 1.00 0.00 H ATOM 1678 HD3 PRO A 105 0.187 23.462 26.506 1.00 0.00 H ATOM 1679 HD2 PRO A 105 0.247 21.685 26.431 1.00 0.00 H ATOM 1680 HG3 PRO A 105 -2.136 21.478 26.753 1.00 0.00 H ATOM 1681 HG2 PRO A 105 -1.748 22.855 27.811 1.00 0.00 H ATOM 1682 HB2 PRO A 105 -2.452 24.468 26.190 1.00 0.00 H ATOM 1683 HB3 PRO A 105 -3.588 23.148 25.826 1.00 0.00 H ATOM 1684 N THR A 106 -2.530 25.343 23.237 1.00 30.23 N ATOM 1685 CA THR A 106 -2.448 26.747 22.809 1.00 34.45 C ATOM 1686 C THR A 106 -3.127 27.688 23.850 1.00 36.38 C ATOM 1687 O THR A 106 -4.006 27.183 24.644 1.00 38.27 O ATOM 1688 CB THR A 106 -3.171 26.887 21.510 1.00 36.14 C ATOM 1689 OG1 THR A 106 -2.362 26.270 20.516 1.00 38.73 O ATOM 1690 CG2 THR A 106 -3.440 28.358 21.166 1.00 38.41 C ATOM 1691 HA THR A 106 -1.398 27.024 22.713 1.00 0.00 H ATOM 1692 HB THR A 106 -4.148 26.407 21.569 1.00 0.00 H ATOM 1693 HG1 THR A 106 -2.810 26.342 19.636 1.00 0.00 H ATOM 1694 HG23 THR A 106 -4.061 28.804 21.943 1.00 0.00 H ATOM 1695 HG21 THR A 106 -2.493 28.894 21.103 1.00 0.00 H ATOM 1696 HG22 THR A 106 -3.957 28.417 20.208 1.00 0.00 H ATOM 1697 H THR A 106 -3.372 24.795 22.966 1.00 0.00 H TER 1698 THR A 106 HETATM 1699 O HOH 1 5.353 13.652 32.367 1.00 11.78 O HETATM 1700 O HOH 2 16.119 16.411 32.633 1.00 20.11 O HETATM 1701 O HOH 3 19.090 9.374 20.828 1.00 12.10 O HETATM 1702 O HOH 4 5.174 33.325 17.135 1.00 17.09 O HETATM 1703 O HOH 5 7.176 20.446 32.317 1.00 13.40 O HETATM 1704 O HOH 6 5.612 20.685 34.792 1.00 15.38 O HETATM 1705 O HOH 7 0.609 12.701 16.423 1.00 24.08 O HETATM 1706 O HOH 8 15.345 33.678 19.265 1.00 20.34 O HETATM 1707 O HOH 9 20.847 18.631 16.538 1.00 15.56 O HETATM 1708 O HOH 10 16.505 34.962 16.098 1.00 14.46 O HETATM 1709 O HOH 11 20.840 4.924 17.667 1.00 19.61 O HETATM 1710 O HOH 12 18.677 4.080 18.971 1.00 21.99 O HETATM 1711 O HOH 13 5.855 6.300 20.554 1.00 20.78 O HETATM 1712 O HOH 14 21.645 8.500 20.254 1.00 19.20 O HETATM 1713 O HOH 15 19.370 15.906 29.175 1.00 19.67 O HETATM 1714 O HOH 16 3.749 31.436 30.067 1.00 29.01 O HETATM 1715 O HOH 17 3.706 11.082 21.823 1.00 25.96 O HETATM 1716 O HOH 18 12.883 28.199 30.174 1.00 27.58 O HETATM 1717 O HOH 19 10.468 33.688 26.799 1.00 29.17 O HETATM 1718 O HOH 20 7.754 34.522 27.729 1.00 44.95 O HETATM 1719 O HOH 21 10.718 29.880 14.628 1.00 36.54 O HETATM 1720 O HOH 22 3.982 10.077 24.516 1.00 32.93 O HETATM 1721 O HOH 23 7.521 4.773 14.674 1.00 24.23 O HETATM 1722 O HOH 24 9.588 31.171 12.750 1.00 36.94 O HETATM 1723 O HOH 25 10.891 30.343 10.780 1.00 27.44 O HETATM 1724 O HOH 26 15.330 18.091 34.747 1.00 24.59 O HETATM 1725 O HOH 27 15.341 31.071 25.272 1.00 25.74 O HETATM 1726 O HOH 28 -2.175 15.109 20.531 1.00 25.47 O HETATM 1727 O HOH 29 13.599 28.044 8.748 1.00 47.01 O HETATM 1728 O HOH 30 4.998 35.287 21.658 1.00 30.99 O HETATM 1729 O HOH 31 0.017 26.356 27.005 1.00 21.71 O HETATM 1730 O HOH 32 0.805 29.614 28.427 1.00 57.70 O HETATM 1731 O HOH 33 12.213 28.787 32.929 1.00 35.01 O HETATM 1732 O HOH 34 2.892 11.698 14.183 1.00 43.20 O HETATM 1733 O HOH 35 9.997 4.048 7.497 1.00 26.06 O HETATM 1734 O HOH 36 15.789 21.287 31.644 1.00 23.18 O HETATM 1735 O HOH 37 -2.676 22.502 21.090 1.00 23.27 O HETATM 1736 O HOH 38 8.763 9.303 31.354 1.00 26.94 O HETATM 1737 O HOH 39 22.536 20.295 14.671 1.00 28.53 O HETATM 1738 O HOH 40 16.367 26.801 26.870 1.00 26.56 O HETATM 1739 O HOH 41 4.836 10.141 15.893 1.00 34.29 O HETATM 1740 O HOH 42 23.321 20.148 12.204 1.00 41.78 O HETATM 1741 O HOH 43 -1.061 14.388 23.120 1.00 59.07 O HETATM 1742 O HOH 44 0.442 28.988 34.127 1.00 33.23 O HETATM 1743 O HOH 45 16.040 25.494 30.891 1.00 34.64 O HETATM 1744 O HOH 46 -2.581 21.082 18.635 1.00 34.00 O HETATM 1745 O HOH 47 28.829 12.582 20.285 1.00 39.96 O HETATM 1746 O HOH 48 5.441 10.371 32.148 1.00 44.92 O HETATM 1747 O HOH 49 6.306 6.520 13.300 1.00 39.47 O HETATM 1748 O HOH 50 30.440 7.941 20.325 1.00 39.72 O HETATM 1749 O HOH 51 27.355 9.278 13.620 1.00 39.43 O HETATM 1750 O HOH 52 0.739 24.820 11.918 1.00 39.52 O HETATM 1751 O HOH 53 11.707 11.553 33.643 1.00 30.24 O HETATM 1752 O HOH 54 3.053 33.349 13.898 1.00 55.55 O HETATM 1753 O HOH 55 1.078 30.866 31.950 1.00 43.77 O HETATM 1754 O HOH 56 1.332 36.019 21.900 1.00 40.54 O HETATM 1755 O HOH 57 0.069 32.218 29.238 1.00 87.88 O HETATM 1756 O HOH 58 2.301 32.824 17.474 1.00 34.03 O HETATM 1757 O HOH 59 9.878 9.557 3.727 1.00 58.12 O HETATM 1758 O HOH 60 -4.612 19.208 18.998 1.00 22.34 O HETATM 1759 O HOH 61 0.904 30.253 18.935 1.00 29.61 O HETATM 1760 O HOH 62 9.180 30.740 7.389 1.00 38.70 O HETATM 1761 O HOH 63 -0.855 24.928 15.528 1.00 41.88 O HETATM 1762 O HOH 64 5.487 36.835 24.246 1.00 33.32 O HETATM 1763 O HOH 65 20.768 33.268 15.062 1.00 49.96 O HETATM 1764 O HOH 66 6.906 28.866 6.775 1.00 34.49 O HETATM 1765 O HOH 67 30.731 7.875 14.803 1.00 54.06 O HETATM 1766 O HOH 68 20.775 6.129 12.900 1.00 14.66 O HETATM 1767 O HOH 69 18.578 31.129 25.988 1.00 55.81 O HETATM 1768 O HOH 70 21.299 22.834 28.090 1.00 30.87 O HETATM 1769 O HOH 71 18.625 17.919 27.406 1.00 27.26 O HETATM 1770 O HOH 72 16.917 5.190 26.085 1.00 41.80 O HETATM 1771 O HOH 73 4.156 22.477 36.481 1.00 32.85 O HETATM 1772 O HOH 74 -0.794 20.161 29.253 1.00 35.87 O HETATM 1773 O HOH 75 0.748 34.448 28.220 1.00 34.23 O HETATM 1774 O HOH 76 19.983 20.658 20.046 1.00 15.63 O HETATM 1775 O HOH 77 8.408 11.917 34.610 1.00 24.83 O HETATM 1776 O HOH 78 3.417 27.493 9.743 1.00 32.42 O HETATM 1777 O HOH 79 6.502 25.710 8.677 1.00 25.08 O HETATM 1778 O HOH 80 5.382 35.021 10.676 1.00 27.91 O HETATM 1779 O HOH 81 7.868 26.201 38.333 1.00 27.09 O HETATM 1780 O HOH 82 14.985 4.933 12.243 1.00 13.17 O HETATM 1781 O HOH 83 -1.443 28.658 27.089 1.00 39.74 O HETATM 1782 O HOH 84 -1.977 18.850 33.676 1.00 19.14 O HETATM 1783 O HOH 85 14.597 20.444 34.652 1.00 33.88 O HETATM 1784 O HOH 86 13.967 17.571 41.239 1.00 27.58 O HETATM 1785 O HOH 87 17.512 25.118 25.254 1.00 16.37 O HETATM 1786 O HOH 88 18.477 11.877 16.972 1.00 10.15 O HETATM 1787 O HOH 89 8.607 13.703 8.059 1.00 19.25 O HETATM 1788 O HOH 90 8.605 3.221 12.757 1.00 29.95 O HETATM 1789 O HOH 91 18.825 13.130 29.063 1.00 13.46 O HETATM 1790 O HOH 92 10.893 22.604 5.133 1.00 57.52 O HETATM 1791 O HOH 93 0.180 27.813 16.799 1.00 42.87 O HETATM 1792 O HOH 94 1.849 29.880 12.328 1.00 48.55 O HETATM 1793 O HOH 95 5.788 35.487 26.446 1.00 30.14 O HETATM 1794 O HOH 96 12.377 25.198 8.278 1.00 38.32 O HETATM 1795 O HOH 97 18.351 20.512 8.343 1.00 30.84 O HETATM 1796 O HOH 98 14.409 27.727 35.455 1.00 33.07 O HETATM 1797 O HOH 99 21.075 25.688 16.169 1.00 46.28 O HETATM 1798 O HOH 100 12.660 5.866 10.665 1.00 24.14 O HETATM 1799 O HOH 101 10.347 11.870 36.649 1.00 32.62 O HETATM 1800 O HOH 102 -2.578 31.450 23.624 1.00 53.48 O HETATM 1801 O HOH 103 12.500 15.014 34.711 1.00 28.13 O HETATM 1802 O HOH 104 2.703 10.658 7.382 1.00 63.61 O HETATM 1803 O HOH 105 16.058 30.719 8.544 1.00 42.13 O HETATM 1804 O HOH 106 2.781 30.738 5.765 1.00 68.53 O HETATM 1805 O HOH 107 9.979 8.828 34.379 1.00 39.06 O HETATM 1806 O HOH 108 22.493 34.336 13.612 1.00 40.20 O HETATM 1807 O HOH 109 18.442 2.835 26.516 1.00 31.12 O HETATM 1808 O HOH 110 2.060 35.144 10.118 1.00 36.56 O HETATM 1809 O HOH 111 6.874 28.984 2.273 1.00 35.80 O HETATM 1810 O HOH 112 14.726 30.947 6.440 1.00 49.98 O HETATM 1811 O HOH 113 -1.718 22.663 16.369 1.00 33.04 O HETATM 1812 O HOH 114 1.869 24.641 9.438 1.00 40.97 O HETATM 1813 O HOH 115 4.630 29.604 3.239 1.00 41.98 O HETATM 1814 O HOH 116 4.528 36.721 28.753 1.00 50.83 O HETATM 1815 O HOH 117 10.430 33.603 29.750 1.00 49.00 O HETATM 1816 O HOH 118 15.606 32.090 28.276 1.00 54.65 O HETATM 1817 O HOH 119 3.429 38.365 25.642 1.00 72.95 O HETATM 1818 O HOH 120 -3.250 26.265 36.040 1.00 46.73 O HETATM 1819 O HOH 121 20.142 24.986 26.579 1.00 41.97 O HETATM 1820 O HOH 122 9.190 12.178 5.342 1.00 39.45 O HETATM 1821 O HOH 123 6.048 7.725 8.921 1.00 36.55 O HETATM 1822 O HOH 124 -0.846 13.472 26.160 1.00 44.43 O HETATM 1823 O HOH 125 12.311 10.563 37.484 1.00 33.60 O HETATM 1824 O HOH 126 -2.812 21.888 10.128 1.00 69.96 O HETATM 1825 O HOH 127 4.993 7.915 11.395 1.00 59.88 O HETATM 1826 C1 UNN A 128 17.995 24.781 19.756 1.00 -0.02 C HETATM 1827 C2 UNN A 128 16.963 25.348 19.058 1.00 0.01 C HETATM 1828 C3 UNN A 128 17.296 26.474 18.355 1.00 0.17 C HETATM 1829 C4 UNN A 128 18.611 27.000 18.281 1.00 0.08 C HETATM 1830 C5 UNN A 128 19.671 26.439 19.043 1.00 -0.01 C HETATM 1831 C6 UNN A 128 19.279 25.319 19.763 1.00 0.00 C HETATM 1832 C9 UNN A 128 20.158 24.536 20.675 1.00 0.04 C HETATM 1833 C10 UNN A 128 19.720 25.056 21.973 1.00 0.15 C HETATM 1834 C11 UNN A 128 20.364 24.265 23.080 1.00 0.21 C HETATM 1835 N12 UNN A 128 19.656 23.271 23.645 1.00 -0.26 N HETATM 1836 C18 UNN A 128 20.309 22.296 24.439 1.00 0.13 C HETATM 1837 C19 UNN A 128 19.185 21.499 24.943 1.00 -0.01 C HETATM 1838 C20 UNN A 128 19.496 20.724 26.217 1.00 -0.05 C HETATM 1839 C21 UNN A 128 20.721 19.789 26.194 1.00 -0.03 C HETATM 1840 C22 UNN A 128 22.118 20.388 25.871 1.00 0.04 C HETATM 1841 N23 UNN A 128 22.337 20.663 24.409 1.00 -0.26 N HETATM 1842 C24 UNN A 128 21.370 21.448 23.641 1.00 0.21 C HETATM 1843 O27 UNN A 128 21.410 21.469 22.349 1.00 -0.39 O HETATM 1844 C25 UNN A 128 23.370 19.786 23.688 1.00 0.07 C HETATM 1845 C26 UNN A 128 22.769 18.400 23.384 1.00 -0.02 C HETATM 1846 C49 UNN A 128 23.255 17.249 23.965 1.00 -0.06 C HETATM 1847 C50 UNN A 128 22.633 16.007 23.713 1.00 -0.06 C HETATM 1848 C51 UNN A 128 21.492 15.887 22.834 1.00 -0.02 C HETATM 1849 C52 UNN A 128 20.904 17.070 22.320 1.00 -0.06 C HETATM 1850 C53 UNN A 128 21.549 18.350 22.579 1.00 -0.06 C HETATM 1851 H28 UNN A 128 21.126 19.263 22.176 1.00 0.06 H HETATM 1852 H27 UNN A 128 19.988 17.023 21.743 1.00 0.06 H HETATM 1853 C58 UNN A 128 20.876 14.598 22.440 1.00 -0.02 C HETATM 1854 C59 UNN A 128 19.476 14.465 22.247 1.00 -0.06 C HETATM 1855 C60 UNN A 128 18.735 13.305 22.158 1.00 -0.06 C HETATM 1856 C61 UNN A 128 19.490 12.157 22.202 1.00 -0.06 C HETATM 1857 C62 UNN A 128 20.841 12.145 22.226 1.00 -0.06 C HETATM 1858 C63 UNN A 128 21.575 13.394 22.383 1.00 -0.06 C HETATM 1859 H33 UNN A 128 22.657 13.386 22.455 1.00 0.06 H HETATM 1860 H32 UNN A 128 21.378 11.208 22.129 1.00 0.06 H HETATM 1861 H31 UNN A 128 18.971 11.205 22.218 1.00 0.06 H HETATM 1862 H30 UNN A 128 17.655 13.299 22.062 1.00 0.06 H HETATM 1863 H29 UNN A 128 18.919 15.391 22.159 1.00 0.06 H HETATM 1864 H26 UNN A 128 23.023 15.117 24.193 1.00 0.06 H HETATM 1865 H25 UNN A 128 24.119 17.297 24.618 1.00 0.06 H HETATM 1866 H23 UNN A 128 24.256 19.666 24.329 1.00 0.07 H HETATM 1867 H24 UNN A 128 23.663 20.270 22.745 1.00 0.07 H HETATM 1868 H21 UNN A 128 22.887 19.677 26.209 1.00 0.05 H HETATM 1869 H22 UNN A 128 22.226 21.334 26.422 1.00 0.05 H HETATM 1870 H19 UNN A 128 20.521 19.013 25.441 1.00 0.03 H HETATM 1871 H20 UNN A 128 20.791 19.325 27.189 1.00 0.03 H HETATM 1872 H17 UNN A 128 18.615 20.109 26.453 1.00 0.03 H HETATM 1873 H18 UNN A 128 19.656 21.459 27.020 1.00 0.03 H HETATM 1874 H15 UNN A 128 18.894 20.780 24.163 1.00 0.03 H HETATM 1875 H16 UNN A 128 18.344 22.178 25.148 1.00 0.03 H HETATM 1876 H14 UNN A 128 20.829 22.782 25.277 1.00 0.08 H HETATM 1877 H9 UNN A 128 18.667 23.220 23.505 1.00 0.19 H HETATM 1878 O17 UNN A 128 21.478 24.541 23.415 1.00 -0.39 O HETATM 1879 N13 UNN A 128 20.242 26.483 22.042 1.00 -0.26 N HETATM 1880 C14 UNN A 128 19.554 27.434 22.632 1.00 0.18 C HETATM 1881 C15 UNN A 128 19.920 28.766 21.880 1.00 0.03 C HETATM 1882 H11 UNN A 128 19.371 29.605 22.332 1.00 0.05 H HETATM 1883 H12 UNN A 128 19.644 28.676 20.819 1.00 0.05 H HETATM 1884 H13 UNN A 128 21.002 28.949 21.963 1.00 0.05 H HETATM 1885 O16 UNN A 128 18.686 27.184 23.456 1.00 -0.40 O HETATM 1886 H10 UNN A 128 21.127 26.702 21.630 1.00 0.19 H HETATM 1887 H8 UNN A 128 18.624 25.025 22.062 1.00 0.08 H HETATM 1888 H6 UNN A 128 21.223 24.744 20.492 1.00 0.06 H HETATM 1889 H7 UNN A 128 19.975 23.455 20.587 1.00 0.06 H HETATM 1890 H3 UNN A 128 20.677 26.842 19.060 1.00 0.07 H HETATM 1891 P71 UNN A 128 18.954 28.497 17.266 1.00 -0.02 P HETATM 1892 O72 UNN A 128 20.488 28.887 17.256 1.00 -0.68 O HETATM 1893 O73 UNN A 128 18.013 29.650 18.121 1.00 -0.68 O HETATM 1894 O74 UNN A 128 18.137 28.259 15.605 1.00 -0.68 O HETATM 1895 O28 UNN A 128 16.134 26.946 17.871 1.00 -0.26 O HETATM 1896 C7 UNN A 128 16.020 28.084 17.016 1.00 0.14 C HETATM 1897 C8 UNN A 128 15.130 29.082 17.698 1.00 0.07 C HETATM 1898 O79 UNN A 128 14.317 29.479 16.716 1.00 -0.57 O HETATM 1899 O80 UNN A 128 15.130 29.422 18.857 1.00 -0.57 O HETATM 1900 H4 UNN A 128 17.013 28.524 16.844 1.00 0.08 H HETATM 1901 H5 UNN A 128 15.579 27.786 16.053 1.00 0.08 H HETATM 1902 H2 UNN A 128 15.960 24.937 19.062 1.00 0.07 H HETATM 1903 H1 UNN A 128 17.805 23.878 20.325 1.00 0.07 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1826 1827 1831 1903 CONECT 1827 1826 1828 1902 CONECT 1828 1827 1829 1895 CONECT 1829 1828 1830 1891 CONECT 1830 1829 1831 1890 CONECT 1831 1826 1830 1832 CONECT 1832 1831 1833 1888 1889 CONECT 1833 1832 1834 1879 1887 CONECT 1834 1833 1835 1878 CONECT 1835 1834 1836 1877 CONECT 1836 1835 1837 1842 1876 CONECT 1837 1836 1838 1874 1875 CONECT 1838 1837 1839 1872 1873 CONECT 1839 1838 1840 1870 1871 CONECT 1840 1839 1841 1868 1869 CONECT 1841 1840 1842 1844 CONECT 1842 1836 1841 1843 CONECT 1843 1842 CONECT 1844 1841 1845 1866 1867 CONECT 1845 1844 1846 1850 CONECT 1846 1845 1847 1865 CONECT 1847 1846 1848 1864 CONECT 1848 1847 1849 1853 CONECT 1849 1848 1850 1852 CONECT 1850 1845 1849 1851 CONECT 1851 1850 CONECT 1852 1849 CONECT 1853 1848 1854 1858 CONECT 1854 1853 1855 1863 CONECT 1855 1854 1856 1862 CONECT 1856 1855 1857 1861 CONECT 1857 1856 1858 1860 CONECT 1858 1853 1857 1859 CONECT 1859 1858 CONECT 1860 1857 CONECT 1861 1856 CONECT 1862 1855 CONECT 1863 1854 CONECT 1864 1847 CONECT 1865 1846 CONECT 1866 1844 CONECT 1867 1844 CONECT 1868 1840 CONECT 1869 1840 CONECT 1870 1839 CONECT 1871 1839 CONECT 1872 1838 CONECT 1873 1838 CONECT 1874 1837 CONECT 1875 1837 CONECT 1876 1836 CONECT 1877 1835 CONECT 1878 1834 CONECT 1879 1833 1880 1886 CONECT 1880 1879 1881 1885 CONECT 1881 1880 1882 1883 1884 CONECT 1882 1881 CONECT 1883 1881 CONECT 1884 1881 CONECT 1885 1880 CONECT 1886 1879 CONECT 1887 1833 CONECT 1888 1832 CONECT 1889 1832 CONECT 1890 1830 CONECT 1891 1829 1892 1893 1894 CONECT 1892 1891 CONECT 1893 1891 CONECT 1894 1891 CONECT 1895 1828 1896 CONECT 1896 1895 1897 1900 1901 CONECT 1897 1896 1898 1899 CONECT 1898 1897 CONECT 1899 1897 CONECT 1900 1896 CONECT 1901 1896 CONECT 1902 1827 CONECT 1903 1826 MASTER 0 0 0 0 0 0 0 0 1902 1 82 9 END
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Related entries of code: 1o49
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%
1o4a
RCSB PDB
PDBbind
108aa, >1O4A_1|Chain... at 100%
1o4b
RCSB PDB
PDBbind
108aa, >1O4B_1|Chain... at 100%
1o4d
RCSB PDB
PDBbind
108aa, >1O4D_1|Chain... at 100%
1o4e
RCSB PDB
PDBbind
108aa, >1O4E_1|Chain... at 100%
1o4f
RCSB PDB
PDBbind
108aa, >1O4F_1|Chain... at 100%
1o4g
RCSB PDB
PDBbind
108aa, >1O4G_1|Chain... at 100%
1o4h
RCSB PDB
PDBbind
108aa, >1O4H_1|Chain... at 100%
1o4i
RCSB PDB
PDBbind
108aa, >1O4I_1|Chain... at 100%
1o4j
RCSB PDB
PDBbind
108aa, >1O4J_1|Chain... at 100%
1o4k
RCSB PDB
PDBbind
108aa, >1O4K_1|Chain... at 100%
1o4l
RCSB PDB
PDBbind
108aa, >1O4L_1|Chain... at 100%
1o4m
RCSB PDB
PDBbind
108aa, >1O4M_1|Chain... at 100%
1o4n
RCSB PDB
PDBbind
108aa, >1O4N_1|Chain... at 100%
1o4o
RCSB PDB
PDBbind
108aa, >1O4O_1|Chain... at 100%
1o4p
RCSB PDB
PDBbind
108aa, >1O4P_1|Chain... at 100%
1o4q
RCSB PDB
PDBbind
108aa, >1O4Q_1|Chain... at 100%
1o4r
RCSB PDB
PDBbind
108aa, >1O4R_1|Chain... at 100%
1prl
RCSB PDB
PDBbind
64aa, >1PRL_1|Chain... at 96%
1prm
RCSB PDB
PDBbind
64aa, >1PRM_1|Chain... at 96%
1rlp
RCSB PDB
PDBbind
64aa, >1RLP_1|Chain... at 96%
1rlq
RCSB PDB
PDBbind
64aa, >1RLQ_1|Chain... at 96%
1shd
RCSB PDB
PDBbind
107aa, >1SHD_1|Chain... at 99%
1skj
RCSB PDB
PDBbind
113aa, >1SKJ_1|Chain... at 90%
1y57
RCSB PDB
PDBbind
452aa, >1Y57_1|Chain... at 99%
2bdf
RCSB PDB
PDBbind
279aa, >2BDF_1|Chains... at 100%
2bdj
RCSB PDB
PDBbind
279aa, >2BDJ_1|Chain... at 100%
2h8h
RCSB PDB
PDBbind
535aa, >2H8H_1|Chain... *
2hwo
RCSB PDB
PDBbind
286aa, >2HWO_1|Chains... at 97%
2hwp
RCSB PDB
PDBbind
286aa, >2HWP_1|Chains... at 97%
2oiq
RCSB PDB
PDBbind
286aa, >2OIQ_1|Chains... at 98%
2qlq
RCSB PDB
PDBbind
286aa, >2QLQ_1|Chains... at 97%
2qq7
RCSB PDB
PDBbind
286aa, >2QQ7_1|Chains... at 97%
3el7
RCSB PDB
PDBbind
286aa, >3EL7_1|Chain... at 98%
3el8
RCSB PDB
PDBbind
286aa, >3EL8_1|Chains... at 98%
3f3t
RCSB PDB
PDBbind
286aa, >3F3T_1|Chains... at 97%
3f3u
RCSB PDB
PDBbind
286aa, >3F3U_1|Chains... at 97%
3f3v
RCSB PDB
PDBbind
286aa, >3F3V_1|Chains... at 97%
3f3w
RCSB PDB
PDBbind
286aa, >3F3W_1|Chains... at 97%
3g5d
RCSB PDB
PDBbind
286aa, >3G5D_1|Chains... at 97%
3g6g
RCSB PDB
PDBbind
286aa, >3G6G_1|Chains... at 98%
3g6h
RCSB PDB
PDBbind
286aa, >3G6H_1|Chains... at 97%
3lok
RCSB PDB
PDBbind
286aa, >3LOK_1|Chains... at 97%
3svv
RCSB PDB
PDBbind
286aa, >3SVV_1|Chains... at 97%
3u4w
RCSB PDB
PDBbind
275aa, >3U4W_1|Chain... at 99%
3u51
RCSB PDB
PDBbind
275aa, >3U51_1|Chains... at 99%
3uqf
RCSB PDB
PDBbind
286aa, >3UQF_1|Chains... at 98%
3uqg
RCSB PDB
PDBbind
286aa, >3UQG_1|Chains... at 98%
4dgg
RCSB PDB
PDBbind
286aa, >4DGG_1|Chains... at 98%
4fic
RCSB PDB
PDBbind
286aa, >4FIC_1|Chains... at 98%
4hxj
RCSB PDB
PDBbind
60aa, >4HXJ_1|Chains... at 98%
4lgg
RCSB PDB
PDBbind
270aa, >4LGG_1|Chains... at 98%
4lgh
RCSB PDB
PDBbind
277aa, >4LGH_1|Chains... at 98%
4mcv
RCSB PDB
PDBbind
278aa, >4MCV_1|Chains... at 98%
4o2p
RCSB PDB
PDBbind
286aa, >4O2P_1|Chains... at 98%
4u5j
RCSB PDB
PDBbind
286aa, >4U5J_1|Chains... at 98%
4ybj
RCSB PDB
PDBbind
286aa, >4YBJ_1|Chains... at 98%
4ybk
RCSB PDB
PDBbind
286aa, >4YBK_1|Chain... at 98%
5bmm
RCSB PDB
PDBbind
286aa, >5BMM_1|Chains... at 98%
5d10
RCSB PDB
PDBbind
286aa, >5D10_1|Chains... at 97%
5d11
RCSB PDB
PDBbind
286aa, >5D11_1|Chains... at 97%
5d12
RCSB PDB
PDBbind
286aa, >5D12_1|Chains... at 97%
6f3f
RCSB PDB
PDBbind
455aa, >6F3F_1|Chain... at 98%
5xp7
RCSB PDB
PDBbind
286aa, >5XP7_1|Chains... at 98%
5teh
RCSB PDB
PDBbind
286aa, >5TEH_1|Chains... at 97%
5sys
RCSB PDB
PDBbind
286aa, >5SYS_1|Chains... at 97%
5swh
RCSB PDB
PDBbind
286aa, >5SWH_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1o49
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
proto-oncogene tyrosine-protein kinase src
Ligand Name
493
EC.Number
E.C.2.7.1.112
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
IC50=437nM
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
7
N
3
O
9
P
Molecular Weight
638.625
Exact Mass
638.227
No. of atoms
82
No. of bonds
85
Polar Surface Area
199.32
LOGP Value
2.73 (
Computed with XLOGP3
)
2.65 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 4
Canonical SMILES
OC(=O)COc1ccc(cc1P(O)(O)O)C[C@@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)NC(=O)C
InChI String
InChI=1S/C32H38N3O9P/c1-21(36)33-27(17-23-12-15-28(44-20-30(37)38)29(18-23)45(41,42)43)31(39)34-26-9-5-6-16-35(32(26)40)19-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,18,26-27,41-43,45H,5-6,9,16-17,19-20H2,1H3,(H,33,36)(H,34,39)(H,37,38)/t26-,27-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P12931
Entrez Gene ID
NCBI Entrez Gene ID:
6714
ASD
Information of known allosteric effects of PDB entries
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