Browse entries in the PDBbind-CN Database
HEADER 1O4M_COMPLEX COMPND 1O4M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 SER ILE GLN ALA GLU GLU TRP TYR PHE GLY LYS ILE THR SEQRES 2 A 105 ARG ARG GLU SER GLU ARG LEU LEU LEU ASN ALA GLU ASN SEQRES 3 A 105 PRO ARG GLY THR PHE LEU VAL ARG GLU SER GLU THR THR SEQRES 4 A 105 LYS GLY ALA TYR CYS LEU SER VAL SER ASP PHE ASP ASN SEQRES 5 A 105 ALA LYS GLY LEU ASN VAL LYS HIS TYR LYS ILE ARG LYS SEQRES 6 A 105 LEU ASP SER GLY GLY PHE TYR ILE THR SER ARG THR GLN SEQRES 7 A 105 PHE ASN SER LEU GLN GLN LEU VAL ALA TYR TYR SER LYS SEQRES 8 A 105 HIS ALA ASP GLY LEU CYS HIS ARG LEU THR THR VAL CYS SEQRES 9 A 105 PRO HET NON A 272 9 ATOM 1 N SER A 1 2.312 13.891 5.682 1.00 46.28 N ATOM 2 CA SER A 1 2.938 15.234 5.826 1.00 45.48 C ATOM 3 C SER A 1 3.134 15.656 7.280 1.00 44.53 C ATOM 4 O SER A 1 2.394 15.261 8.195 1.00 44.72 O ATOM 5 CB SER A 1 2.155 16.320 5.044 1.00 46.36 C ATOM 6 OG SER A 1 0.934 16.705 5.674 1.00 47.00 O ATOM 7 HA SER A 1 3.932 15.141 5.388 1.00 0.00 H ATOM 8 HB2 SER A 1 1.924 15.932 4.052 1.00 0.00 H ATOM 9 HB3 SER A 1 2.788 17.202 4.950 1.00 0.00 H ATOM 10 HG SER A 1 0.486 17.397 5.127 1.00 0.00 H ATOM 11 HN3 SER A 1 1.377 13.895 6.136 1.00 0.00 H ATOM 12 HN2 SER A 1 2.916 13.178 6.137 1.00 0.00 H ATOM 13 HN1 SER A 1 2.207 13.665 4.672 1.00 0.00 H ATOM 14 N ILE A 2 4.162 16.470 7.460 1.00 43.09 N ATOM 15 CA ILE A 2 4.550 17.030 8.742 1.00 41.19 C ATOM 16 C ILE A 2 3.483 18.058 9.174 1.00 39.83 C ATOM 17 O ILE A 2 3.130 18.165 10.346 1.00 39.46 O ATOM 18 CB ILE A 2 5.927 17.667 8.552 1.00 40.81 C ATOM 19 CG1 ILE A 2 6.977 16.560 8.412 1.00 41.86 C ATOM 20 CG2 ILE A 2 6.217 18.667 9.618 1.00 41.66 C ATOM 21 CD1 ILE A 2 8.219 16.969 7.605 1.00 43.55 C ATOM 22 HA ILE A 2 4.613 16.277 9.528 1.00 0.00 H ATOM 23 HB ILE A 2 5.952 18.245 7.628 1.00 0.00 H ATOM 24 HG12 ILE A 2 7.299 16.266 9.411 1.00 0.00 H ATOM 25 HG13 ILE A 2 6.512 15.708 7.916 1.00 0.00 H ATOM 26 HD11 ILE A 2 7.918 17.255 6.597 1.00 0.00 H ATOM 27 HD12 ILE A 2 8.706 17.813 8.093 1.00 0.00 H ATOM 28 HD13 ILE A 2 8.911 16.128 7.554 1.00 0.00 H ATOM 29 HG21 ILE A 2 5.464 19.455 9.590 1.00 0.00 H ATOM 30 HG22 ILE A 2 6.194 18.176 10.591 1.00 0.00 H ATOM 31 HG23 ILE A 2 7.204 19.099 9.451 1.00 0.00 H ATOM 32 H ILE A 2 4.730 16.726 6.627 1.00 0.00 H ATOM 33 N GLN A 3 2.920 18.742 8.187 1.00 38.13 N ATOM 34 CA GLN A 3 1.896 19.758 8.400 1.00 37.20 C ATOM 35 C GLN A 3 0.606 19.148 8.960 1.00 34.57 C ATOM 36 O GLN A 3 -0.214 19.838 9.559 1.00 34.79 O ATOM 37 CB GLN A 3 1.572 20.444 7.067 1.00 42.48 C ATOM 38 CG GLN A 3 2.762 21.113 6.386 1.00 48.66 C ATOM 39 CD GLN A 3 2.881 22.581 6.745 1.00 55.01 C ATOM 40 OE1 GLN A 3 3.942 23.051 7.155 1.00 57.48 O ATOM 41 NE2 GLN A 3 1.781 23.317 6.593 1.00 58.18 N ATOM 42 HA GLN A 3 2.285 20.477 9.121 1.00 0.00 H ATOM 43 HB2 GLN A 3 1.170 19.692 6.387 1.00 0.00 H ATOM 44 HB3 GLN A 3 0.815 21.206 7.253 1.00 0.00 H ATOM 45 HG2 GLN A 3 3.675 20.602 6.693 1.00 0.00 H ATOM 46 HG3 GLN A 3 2.643 21.025 5.306 1.00 0.00 H ATOM 47 HE22 GLN A 3 0.906 22.878 6.243 1.00 0.00 H ATOM 48 HE21 GLN A 3 1.798 24.331 6.824 1.00 0.00 H ATOM 49 H GLN A 3 3.224 18.544 7.212 1.00 0.00 H ATOM 50 N ALA A 4 0.398 17.870 8.685 1.00 31.70 N ATOM 51 CA ALA A 4 -0.795 17.176 9.143 1.00 29.21 C ATOM 52 C ALA A 4 -0.750 16.896 10.650 1.00 26.58 C ATOM 53 O ALA A 4 -1.779 16.728 11.299 1.00 26.47 O ATOM 54 CB ALA A 4 -0.945 15.847 8.379 1.00 30.55 C ATOM 55 HA ALA A 4 -1.651 17.822 8.948 1.00 0.00 H ATOM 56 HB1 ALA A 4 -1.031 16.051 7.312 1.00 0.00 H ATOM 57 HB2 ALA A 4 -0.070 15.223 8.562 1.00 0.00 H ATOM 58 HB3 ALA A 4 -1.840 15.330 8.725 1.00 0.00 H ATOM 59 H ALA A 4 1.105 17.349 8.128 1.00 0.00 H ATOM 60 N GLU A 5 0.449 16.877 11.208 1.00 23.25 N ATOM 61 CA GLU A 5 0.625 16.545 12.607 1.00 20.16 C ATOM 62 C GLU A 5 0.163 17.594 13.615 1.00 17.27 C ATOM 63 O GLU A 5 0.531 18.757 13.522 1.00 15.48 O ATOM 64 CB GLU A 5 2.084 16.182 12.815 1.00 20.50 C ATOM 65 CG GLU A 5 2.608 15.241 11.726 1.00 25.30 C ATOM 66 CD GLU A 5 1.925 13.892 11.782 1.00 29.36 C ATOM 67 OE1 GLU A 5 1.506 13.492 12.890 1.00 29.33 O ATOM 68 OE2 GLU A 5 1.802 13.230 10.729 1.00 31.36 O ATOM 69 HA GLU A 5 -0.040 15.707 12.815 1.00 0.00 H ATOM 70 HB2 GLU A 5 2.678 17.096 12.805 1.00 0.00 H ATOM 71 HB3 GLU A 5 2.189 15.692 13.783 1.00 0.00 H ATOM 72 HG2 GLU A 5 2.424 15.691 10.750 1.00 0.00 H ATOM 73 HG3 GLU A 5 3.680 15.101 11.864 1.00 0.00 H ATOM 74 H GLU A 5 1.283 17.105 10.630 1.00 0.00 H ATOM 75 N GLU A 6 -0.617 17.162 14.605 1.00 14.72 N ATOM 76 CA GLU A 6 -1.103 18.081 15.629 1.00 13.16 C ATOM 77 C GLU A 6 0.008 18.655 16.538 1.00 11.90 C ATOM 78 O GLU A 6 -0.184 19.691 17.163 1.00 11.85 O ATOM 79 CB GLU A 6 -2.231 17.458 16.459 1.00 13.27 C ATOM 80 CG GLU A 6 -1.812 16.478 17.520 1.00 12.42 C ATOM 81 CD GLU A 6 -1.461 15.081 16.995 1.00 17.22 C ATOM 82 OE1 GLU A 6 -1.525 14.808 15.755 1.00 15.13 O ATOM 83 OE2 GLU A 6 -1.098 14.231 17.859 1.00 17.70 O ATOM 84 HA GLU A 6 -1.507 18.932 15.081 1.00 0.00 H ATOM 85 HB2 GLU A 6 -2.770 18.269 16.949 1.00 0.00 H ATOM 86 HB3 GLU A 6 -2.901 16.940 15.773 1.00 0.00 H ATOM 87 HG2 GLU A 6 -0.936 16.881 18.028 1.00 0.00 H ATOM 88 HG3 GLU A 6 -2.630 16.378 18.233 1.00 0.00 H ATOM 89 H GLU A 6 -0.883 16.157 14.648 1.00 0.00 H ATOM 90 N TRP A 7 1.129 17.947 16.665 1.00 10.26 N ATOM 91 CA TRP A 7 2.233 18.467 17.471 1.00 9.77 C ATOM 92 C TRP A 7 3.127 19.384 16.620 1.00 9.91 C ATOM 93 O TRP A 7 4.115 19.920 17.117 1.00 10.36 O ATOM 94 CB TRP A 7 3.073 17.338 18.072 1.00 10.21 C ATOM 95 CG TRP A 7 3.234 16.178 17.173 1.00 8.89 C ATOM 96 CD1 TRP A 7 2.543 15.005 17.236 1.00 9.78 C ATOM 97 CD2 TRP A 7 4.164 16.037 16.078 1.00 8.60 C ATOM 98 NE1 TRP A 7 2.973 14.140 16.258 1.00 12.25 N ATOM 99 CE2 TRP A 7 3.965 14.751 15.533 1.00 10.43 C ATOM 100 CE3 TRP A 7 5.130 16.872 15.506 1.00 10.95 C ATOM 101 CZ2 TRP A 7 4.714 14.267 14.452 1.00 12.65 C ATOM 102 CZ3 TRP A 7 5.876 16.399 14.427 1.00 12.02 C ATOM 103 CH2 TRP A 7 5.661 15.110 13.904 1.00 12.25 C ATOM 104 HA TRP A 7 1.800 19.040 18.291 1.00 0.00 H ATOM 105 HB2 TRP A 7 4.062 17.732 18.308 1.00 0.00 H ATOM 106 HB3 TRP A 7 2.590 16.999 18.989 1.00 0.00 H ATOM 107 HE1 TRP A 7 2.607 13.180 16.094 1.00 0.00 H ATOM 108 HD1 TRP A 7 1.759 14.784 17.960 1.00 0.00 H ATOM 109 HZ2 TRP A 7 4.555 13.263 14.058 1.00 0.00 H ATOM 110 HH2 TRP A 7 6.252 14.772 13.053 1.00 0.00 H ATOM 111 HZ3 TRP A 7 6.638 17.038 13.981 1.00 0.00 H ATOM 112 HE3 TRP A 7 5.297 17.876 15.897 1.00 0.00 H ATOM 113 H TRP A 7 1.219 17.025 16.192 1.00 0.00 H ATOM 114 N TYR A 8 2.811 19.541 15.335 1.00 9.67 N ATOM 115 CA TYR A 8 3.634 20.406 14.488 1.00 11.24 C ATOM 116 C TYR A 8 3.010 21.785 14.489 1.00 11.87 C ATOM 117 O TYR A 8 1.944 21.969 13.893 1.00 13.20 O ATOM 118 CB TYR A 8 3.747 19.892 13.045 1.00 10.82 C ATOM 119 CG TYR A 8 4.711 20.734 12.225 1.00 11.66 C ATOM 120 CD1 TYR A 8 6.075 20.732 12.524 1.00 11.11 C ATOM 121 CD2 TYR A 8 4.259 21.593 11.213 1.00 11.63 C ATOM 122 CE1 TYR A 8 6.964 21.558 11.857 1.00 12.04 C ATOM 123 CE2 TYR A 8 5.164 22.432 10.526 1.00 13.17 C ATOM 124 CZ TYR A 8 6.512 22.407 10.864 1.00 13.24 C ATOM 125 OH TYR A 8 7.432 23.221 10.244 1.00 14.44 O ATOM 126 HA TYR A 8 4.646 20.422 14.893 1.00 0.00 H ATOM 127 HB3 TYR A 8 2.762 19.926 12.579 1.00 0.00 H ATOM 128 HB2 TYR A 8 4.104 18.862 13.063 1.00 0.00 H ATOM 129 HD2 TYR A 8 3.200 21.613 10.954 1.00 0.00 H ATOM 130 HE2 TYR A 8 4.808 23.094 9.737 1.00 0.00 H ATOM 131 HE1 TYR A 8 8.023 21.539 12.116 1.00 0.00 H ATOM 132 HD1 TYR A 8 6.449 20.065 13.301 1.00 0.00 H ATOM 133 HH TYR A 8 7.184 24.168 10.389 1.00 0.00 H ATOM 134 H TYR A 8 1.984 19.052 14.936 1.00 0.00 H ATOM 135 N PHE A 9 3.687 22.753 15.107 1.00 11.31 N ATOM 136 CA PHE A 9 3.168 24.127 15.207 1.00 11.97 C ATOM 137 C PHE A 9 3.673 25.042 14.089 1.00 11.77 C ATOM 138 O PHE A 9 3.355 26.220 14.065 1.00 12.34 O ATOM 139 CB PHE A 9 3.470 24.744 16.581 1.00 10.05 C ATOM 140 CG PHE A 9 2.566 24.267 17.699 1.00 11.28 C ATOM 141 CD1 PHE A 9 2.337 22.915 17.920 1.00 11.10 C ATOM 142 CD2 PHE A 9 1.945 25.187 18.551 1.00 14.85 C ATOM 143 CE1 PHE A 9 1.506 22.475 18.980 1.00 12.27 C ATOM 144 CE2 PHE A 9 1.113 24.755 19.613 1.00 16.99 C ATOM 145 CZ PHE A 9 0.898 23.400 19.819 1.00 13.88 C ATOM 146 HA PHE A 9 2.087 24.046 15.089 1.00 0.00 H ATOM 147 HB2 PHE A 9 4.498 24.497 16.846 1.00 0.00 H ATOM 148 HB3 PHE A 9 3.367 25.826 16.498 1.00 0.00 H ATOM 149 HD2 PHE A 9 2.104 26.254 18.395 1.00 0.00 H ATOM 150 HE2 PHE A 9 0.642 25.487 20.268 1.00 0.00 H ATOM 151 HZ PHE A 9 0.256 23.064 20.634 1.00 0.00 H ATOM 152 HE1 PHE A 9 1.344 21.409 19.137 1.00 0.00 H ATOM 153 HD1 PHE A 9 2.805 22.179 17.266 1.00 0.00 H ATOM 154 H PHE A 9 4.610 22.531 15.531 1.00 0.00 H ATOM 155 N GLY A 10 4.494 24.504 13.194 1.00 12.20 N ATOM 156 CA GLY A 10 4.986 25.295 12.082 1.00 11.79 C ATOM 157 C GLY A 10 5.799 26.524 12.436 1.00 11.77 C ATOM 158 O GLY A 10 6.671 26.493 13.298 1.00 11.33 O ATOM 159 HA3 GLY A 10 4.124 25.623 11.501 1.00 0.00 H ATOM 160 HA2 GLY A 10 5.612 24.649 11.467 1.00 0.00 H ATOM 161 H GLY A 10 4.786 23.510 13.291 1.00 0.00 H ATOM 162 N LYS A 11 5.478 27.635 11.788 1.00 11.75 N ATOM 163 CA LYS A 11 6.221 28.857 11.978 1.00 12.19 C ATOM 164 C LYS A 11 5.829 29.663 13.202 1.00 12.40 C ATOM 165 O LYS A 11 5.010 30.571 13.097 1.00 13.11 O ATOM 166 CB LYS A 11 6.112 29.715 10.714 1.00 14.40 C ATOM 167 CG LYS A 11 7.088 30.868 10.647 1.00 17.02 C ATOM 168 CD LYS A 11 6.766 31.762 9.459 1.00 17.16 C ATOM 169 CE LYS A 11 7.798 32.863 9.382 1.00 17.31 C ATOM 170 NZ LYS A 11 7.286 33.971 8.560 1.00 16.55 N ATOM 171 HA LYS A 11 7.253 28.558 12.162 1.00 0.00 H ATOM 172 HB2 LYS A 11 6.286 29.072 9.851 1.00 0.00 H ATOM 173 HB3 LYS A 11 5.102 30.122 10.665 1.00 0.00 H ATOM 174 HG2 LYS A 11 7.020 31.451 11.565 1.00 0.00 H ATOM 175 HG3 LYS A 11 8.100 30.477 10.540 1.00 0.00 H ATOM 176 HD2 LYS A 11 6.788 31.174 8.541 1.00 0.00 H ATOM 177 HD3 LYS A 11 5.775 32.197 9.586 1.00 0.00 H ATOM 178 HE2 LYS A 11 8.712 32.472 8.934 1.00 0.00 H ATOM 179 HE3 LYS A 11 8.014 33.227 10.386 1.00 0.00 H ATOM 180 HZ1 LYS A 11 7.081 33.624 7.601 1.00 0.00 H ATOM 181 HZ2 LYS A 11 6.415 34.345 8.988 1.00 0.00 H ATOM 182 HZ3 LYS A 11 8.001 34.724 8.512 1.00 0.00 H ATOM 183 H LYS A 11 4.674 27.626 11.129 1.00 0.00 H ATOM 184 N ILE A 12 6.299 29.237 14.381 1.00 11.25 N ATOM 185 CA ILE A 12 6.084 29.976 15.638 1.00 11.04 C ATOM 186 C ILE A 12 7.486 30.212 16.221 1.00 9.92 C ATOM 187 O ILE A 12 8.401 29.446 15.946 1.00 10.98 O ATOM 188 CB ILE A 12 5.150 29.254 16.675 1.00 12.03 C ATOM 189 CG1 ILE A 12 5.784 27.969 17.210 1.00 11.03 C ATOM 190 CG2 ILE A 12 3.786 28.990 16.055 1.00 12.66 C ATOM 191 CD1 ILE A 12 5.165 27.512 18.520 1.00 11.50 C ATOM 192 HA ILE A 12 5.552 30.903 15.424 1.00 0.00 H ATOM 193 HB ILE A 12 5.016 29.915 17.531 1.00 0.00 H ATOM 194 HG12 ILE A 12 5.654 27.181 16.469 1.00 0.00 H ATOM 195 HG13 ILE A 12 6.848 28.145 17.369 1.00 0.00 H ATOM 196 HD11 ILE A 12 5.297 28.289 19.273 1.00 0.00 H ATOM 197 HD12 ILE A 12 4.102 27.324 18.372 1.00 0.00 H ATOM 198 HD13 ILE A 12 5.654 26.596 18.852 1.00 0.00 H ATOM 199 HG21 ILE A 12 3.332 29.937 15.762 1.00 0.00 H ATOM 200 HG22 ILE A 12 3.904 28.355 15.177 1.00 0.00 H ATOM 201 HG23 ILE A 12 3.148 28.489 16.783 1.00 0.00 H ATOM 202 H ILE A 12 6.838 28.348 14.411 1.00 0.00 H ATOM 203 N THR A 13 7.670 31.319 16.937 1.00 8.89 N ATOM 204 CA THR A 13 8.982 31.662 17.485 1.00 8.62 C ATOM 205 C THR A 13 9.343 30.822 18.717 1.00 9.41 C ATOM 206 O THR A 13 8.482 30.186 19.346 1.00 9.16 O ATOM 207 CB THR A 13 9.044 33.154 17.934 1.00 8.47 C ATOM 208 OG1 THR A 13 8.126 33.369 19.019 1.00 9.95 O ATOM 209 CG2 THR A 13 8.701 34.089 16.772 1.00 8.36 C ATOM 210 HA THR A 13 9.685 31.464 16.676 1.00 0.00 H ATOM 211 HB THR A 13 10.059 33.375 18.263 1.00 0.00 H ATOM 212 HG1 THR A 13 8.167 34.317 19.302 1.00 0.00 H ATOM 213 HG23 THR A 13 9.401 33.921 15.953 1.00 0.00 H ATOM 214 HG21 THR A 13 7.686 33.886 16.432 1.00 0.00 H ATOM 215 HG22 THR A 13 8.773 35.124 17.107 1.00 0.00 H ATOM 216 H THR A 13 6.864 31.953 17.110 1.00 0.00 H ATOM 217 N ARG A 14 10.609 30.919 19.105 1.00 9.26 N ATOM 218 CA ARG A 14 11.126 30.261 20.286 1.00 8.53 C ATOM 219 C ARG A 14 10.388 30.804 21.505 1.00 9.07 C ATOM 220 O ARG A 14 9.965 30.033 22.373 1.00 8.28 O ATOM 221 CB ARG A 14 12.606 30.575 20.414 1.00 8.15 C ATOM 222 CG ARG A 14 13.271 30.027 21.630 1.00 9.99 C ATOM 223 CD ARG A 14 14.713 30.435 21.511 1.00 14.34 C ATOM 224 NE ARG A 14 15.560 29.877 22.540 1.00 18.25 N ATOM 225 CZ ARG A 14 16.415 28.881 22.356 1.00 18.66 C ATOM 226 NH1 ARG A 14 17.141 28.464 23.389 1.00 19.48 N ATOM 227 NH2 ARG A 14 16.536 28.292 21.164 1.00 15.92 N ATOM 228 HA ARG A 14 10.984 29.183 20.214 1.00 0.00 H ATOM 229 HB2 ARG A 14 13.114 30.168 19.540 1.00 0.00 H ATOM 230 HB3 ARG A 14 12.721 31.659 20.427 1.00 0.00 H ATOM 231 HG2 ARG A 14 12.827 30.450 22.531 1.00 0.00 H ATOM 232 HG3 ARG A 14 13.182 28.941 21.658 1.00 0.00 H ATOM 233 HD2 ARG A 14 14.770 31.522 21.570 1.00 0.00 H ATOM 234 HD3 ARG A 14 15.086 30.105 20.541 1.00 0.00 H ATOM 235 HE ARG A 14 15.494 30.286 23.494 1.00 0.00 H ATOM 236 HH12 ARG A 14 17.818 27.684 23.268 1.00 0.00 H ATOM 237 HH11 ARG A 14 17.032 28.918 24.318 1.00 0.00 H ATOM 238 HH22 ARG A 14 17.211 27.512 21.036 1.00 0.00 H ATOM 239 HH21 ARG A 14 15.955 28.613 20.364 1.00 0.00 H ATOM 240 H ARG A 14 11.260 31.495 18.534 1.00 0.00 H ATOM 241 N ARG A 15 10.221 32.128 21.562 1.00 8.82 N ATOM 242 CA ARG A 15 9.534 32.756 22.695 1.00 9.20 C ATOM 243 C ARG A 15 8.078 32.278 22.813 1.00 8.98 C ATOM 244 O ARG A 15 7.584 32.014 23.923 1.00 9.06 O ATOM 245 CB ARG A 15 9.576 34.281 22.578 1.00 10.41 C ATOM 246 CG ARG A 15 8.822 34.984 23.702 1.00 13.70 C ATOM 247 CD ARG A 15 9.131 36.478 23.782 1.00 14.15 C ATOM 248 NE ARG A 15 8.361 37.134 24.841 1.00 16.40 N ATOM 249 CZ ARG A 15 8.790 37.304 26.096 1.00 18.43 C ATOM 250 NH1 ARG A 15 10.006 36.892 26.461 1.00 13.94 N ATOM 251 NH2 ARG A 15 7.975 37.842 27.009 1.00 21.91 N ATOM 252 HA ARG A 15 10.062 32.455 23.599 1.00 0.00 H ATOM 253 HB2 ARG A 15 10.617 34.603 22.602 1.00 0.00 H ATOM 254 HB3 ARG A 15 9.130 34.569 21.626 1.00 0.00 H ATOM 255 HG2 ARG A 15 7.752 34.858 23.535 1.00 0.00 H ATOM 256 HG3 ARG A 15 9.098 34.520 24.649 1.00 0.00 H ATOM 257 HD2 ARG A 15 8.885 36.942 22.827 1.00 0.00 H ATOM 258 HD3 ARG A 15 10.194 36.609 23.985 1.00 0.00 H ATOM 259 HE ARG A 15 7.415 37.492 24.600 1.00 0.00 H ATOM 260 HH12 ARG A 15 10.330 37.029 27.440 1.00 0.00 H ATOM 261 HH11 ARG A 15 10.630 36.434 25.767 1.00 0.00 H ATOM 262 HH22 ARG A 15 8.305 37.976 27.986 1.00 0.00 H ATOM 263 HH21 ARG A 15 7.011 38.127 26.742 1.00 0.00 H ATOM 264 H ARG A 15 10.584 32.723 20.790 1.00 0.00 H ATOM 265 N GLU A 16 7.401 32.181 21.664 1.00 9.17 N ATOM 266 CA GLU A 16 6.016 31.716 21.653 1.00 10.02 C ATOM 267 C GLU A 16 5.958 30.263 22.145 1.00 9.74 C ATOM 268 O GLU A 16 5.094 29.917 22.964 1.00 9.68 O ATOM 269 CB GLU A 16 5.403 31.842 20.244 1.00 12.35 C ATOM 270 CG GLU A 16 4.010 31.243 20.062 1.00 12.21 C ATOM 271 CD GLU A 16 2.911 31.909 20.919 1.00 18.43 C ATOM 272 OE1 GLU A 16 1.751 31.431 20.835 1.00 20.33 O ATOM 273 OE2 GLU A 16 3.174 32.879 21.678 1.00 14.80 O ATOM 274 HA GLU A 16 5.429 32.342 22.324 1.00 0.00 H ATOM 275 HB2 GLU A 16 5.344 32.903 19.999 1.00 0.00 H ATOM 276 HB3 GLU A 16 6.074 31.345 19.543 1.00 0.00 H ATOM 277 HG2 GLU A 16 3.731 31.341 19.013 1.00 0.00 H ATOM 278 HG3 GLU A 16 4.056 30.187 20.327 1.00 0.00 H ATOM 279 H GLU A 16 7.865 32.439 20.770 1.00 0.00 H ATOM 280 N SER A 17 6.902 29.430 21.704 1.00 8.66 N ATOM 281 CA SER A 17 6.886 28.043 22.171 1.00 9.12 C ATOM 282 C SER A 17 7.051 28.023 23.701 1.00 8.34 C ATOM 283 O SER A 17 6.417 27.225 24.386 1.00 8.49 O ATOM 284 CB SER A 17 7.962 27.185 21.478 1.00 9.52 C ATOM 285 OG SER A 17 9.272 27.446 21.949 1.00 9.95 O ATOM 286 HA SER A 17 5.926 27.599 21.906 1.00 0.00 H ATOM 287 HB2 SER A 17 7.931 27.388 20.408 1.00 0.00 H ATOM 288 HB3 SER A 17 7.733 26.134 21.653 1.00 0.00 H ATOM 289 HG SER A 17 9.496 28.397 21.787 1.00 0.00 H ATOM 290 H SER A 17 7.634 29.759 21.042 1.00 0.00 H ATOM 291 N GLU A 18 7.894 28.906 24.230 1.00 8.04 N ATOM 292 CA GLU A 18 8.083 28.945 25.680 1.00 8.89 C ATOM 293 C GLU A 18 6.822 29.425 26.385 1.00 8.85 C ATOM 294 O GLU A 18 6.427 28.853 27.395 1.00 9.68 O ATOM 295 CB GLU A 18 9.296 29.798 26.050 1.00 9.66 C ATOM 296 CG GLU A 18 10.565 29.130 25.547 1.00 10.11 C ATOM 297 CD GLU A 18 11.818 29.947 25.721 1.00 16.33 C ATOM 298 OE1 GLU A 18 12.904 29.345 25.638 1.00 12.95 O ATOM 299 OE2 GLU A 18 11.727 31.173 25.918 1.00 18.05 O ATOM 300 HA GLU A 18 8.280 27.929 26.023 1.00 0.00 H ATOM 301 HB2 GLU A 18 9.199 30.783 25.593 1.00 0.00 H ATOM 302 HB3 GLU A 18 9.347 29.905 27.134 1.00 0.00 H ATOM 303 HG2 GLU A 18 10.693 28.192 26.088 1.00 0.00 H ATOM 304 HG3 GLU A 18 10.441 28.921 24.485 1.00 0.00 H ATOM 305 H GLU A 18 8.415 29.564 23.616 1.00 0.00 H ATOM 306 N ARG A 19 6.142 30.413 25.807 1.00 8.01 N ATOM 307 CA ARG A 19 4.916 30.925 26.409 1.00 9.52 C ATOM 308 C ARG A 19 3.889 29.780 26.550 1.00 9.29 C ATOM 309 O ARG A 19 3.215 29.641 27.583 1.00 10.42 O ATOM 310 CB ARG A 19 4.317 32.051 25.560 1.00 9.83 C ATOM 311 CG ARG A 19 3.086 32.705 26.212 1.00 11.88 C ATOM 312 CD ARG A 19 2.351 33.650 25.260 1.00 11.01 C ATOM 313 NE ARG A 19 1.735 32.937 24.147 1.00 13.73 N ATOM 314 CZ ARG A 19 0.606 32.250 24.221 1.00 13.20 C ATOM 315 NH1 ARG A 19 -0.059 32.167 25.367 1.00 14.18 N ATOM 316 NH2 ARG A 19 0.137 31.656 23.144 1.00 13.80 N ATOM 317 HA ARG A 19 5.158 31.327 27.393 1.00 0.00 H ATOM 318 HB2 ARG A 19 5.079 32.816 25.410 1.00 0.00 H ATOM 319 HB3 ARG A 19 4.022 31.639 24.595 1.00 0.00 H ATOM 320 HG2 ARG A 19 2.398 31.920 26.526 1.00 0.00 H ATOM 321 HG3 ARG A 19 3.412 33.271 27.085 1.00 0.00 H ATOM 322 HD2 ARG A 19 3.063 34.374 24.863 1.00 0.00 H ATOM 323 HD3 ARG A 19 1.573 34.174 25.815 1.00 0.00 H ATOM 324 HE ARG A 19 2.219 32.971 23.227 1.00 0.00 H ATOM 325 HH12 ARG A 19 -0.945 31.625 25.416 1.00 0.00 H ATOM 326 HH11 ARG A 19 0.306 32.644 26.216 1.00 0.00 H ATOM 327 HH22 ARG A 19 -0.749 31.114 23.193 1.00 0.00 H ATOM 328 HH21 ARG A 19 0.653 31.729 22.244 1.00 0.00 H ATOM 329 H ARG A 19 6.489 30.824 24.917 1.00 0.00 H ATOM 330 N LEU A 20 3.795 28.950 25.515 1.00 9.50 N ATOM 331 CA LEU A 20 2.863 27.827 25.526 1.00 9.09 C ATOM 332 C LEU A 20 3.311 26.721 26.502 1.00 9.31 C ATOM 333 O LEU A 20 2.501 26.142 27.236 1.00 9.63 O ATOM 334 CB LEU A 20 2.772 27.222 24.127 1.00 10.87 C ATOM 335 CG LEU A 20 2.112 28.048 23.011 1.00 14.39 C ATOM 336 CD1 LEU A 20 2.415 27.416 21.651 1.00 15.91 C ATOM 337 CD2 LEU A 20 0.615 28.144 23.254 1.00 16.11 C ATOM 338 HA LEU A 20 1.895 28.210 25.849 1.00 0.00 H ATOM 339 HB2 LEU A 20 3.790 27.001 23.805 1.00 0.00 H ATOM 340 HB3 LEU A 20 2.210 26.292 24.214 1.00 0.00 H ATOM 341 HG LEU A 20 2.520 29.059 23.014 1.00 0.00 H ATOM 342 HD21 LEU A 20 0.185 27.143 23.263 1.00 0.00 H ATOM 343 HD22 LEU A 20 0.434 28.627 24.214 1.00 0.00 H ATOM 344 HD23 LEU A 20 0.156 28.731 22.458 1.00 0.00 H ATOM 345 HD11 LEU A 20 3.493 27.394 21.494 1.00 0.00 H ATOM 346 HD12 LEU A 20 2.022 26.399 21.629 1.00 0.00 H ATOM 347 HD13 LEU A 20 1.944 28.006 20.865 1.00 0.00 H ATOM 348 H LEU A 20 4.398 29.104 24.681 1.00 0.00 H ATOM 349 N LEU A 21 4.607 26.426 26.506 1.00 7.95 N ATOM 350 CA LEU A 21 5.113 25.350 27.340 1.00 8.54 C ATOM 351 C LEU A 21 5.249 25.658 28.820 1.00 9.19 C ATOM 352 O LEU A 21 5.228 24.736 29.648 1.00 9.27 O ATOM 353 CB LEU A 21 6.437 24.816 26.762 1.00 7.78 C ATOM 354 CG LEU A 21 6.269 24.094 25.416 1.00 8.90 C ATOM 355 CD1 LEU A 21 7.641 23.984 24.687 1.00 8.49 C ATOM 356 CD2 LEU A 21 5.646 22.728 25.623 1.00 8.45 C ATOM 357 HA LEU A 21 4.340 24.582 27.307 1.00 0.00 H ATOM 358 HB2 LEU A 21 7.117 25.657 26.621 1.00 0.00 H ATOM 359 HB3 LEU A 21 6.870 24.117 27.478 1.00 0.00 H ATOM 360 HG LEU A 21 5.598 24.676 24.785 1.00 0.00 H ATOM 361 HD21 LEU A 21 6.290 22.131 26.269 1.00 0.00 H ATOM 362 HD22 LEU A 21 4.667 22.843 26.089 1.00 0.00 H ATOM 363 HD23 LEU A 21 5.535 22.231 24.659 1.00 0.00 H ATOM 364 HD11 LEU A 21 8.037 24.984 24.508 1.00 0.00 H ATOM 365 HD12 LEU A 21 8.337 23.421 25.309 1.00 0.00 H ATOM 366 HD13 LEU A 21 7.505 23.470 23.735 1.00 0.00 H ATOM 367 H LEU A 21 5.263 26.969 25.908 1.00 0.00 H ATOM 368 N LEU A 22 5.341 26.939 29.170 1.00 8.74 N ATOM 369 CA LEU A 22 5.495 27.335 30.570 1.00 10.03 C ATOM 370 C LEU A 22 4.185 27.364 31.348 1.00 11.72 C ATOM 371 O LEU A 22 4.120 27.911 32.433 1.00 15.94 O ATOM 372 CB LEU A 22 6.248 28.668 30.672 1.00 10.87 C ATOM 373 CG LEU A 22 7.722 28.590 30.251 1.00 11.97 C ATOM 374 CD1 LEU A 22 8.339 29.975 30.109 1.00 10.70 C ATOM 375 CD2 LEU A 22 8.503 27.691 31.233 1.00 13.43 C ATOM 376 HA LEU A 22 6.092 26.558 31.048 1.00 0.00 H ATOM 377 HB2 LEU A 22 5.747 29.394 30.032 1.00 0.00 H ATOM 378 HB3 LEU A 22 6.205 29.007 31.707 1.00 0.00 H ATOM 379 HG LEU A 22 7.781 28.133 29.263 1.00 0.00 H ATOM 380 HD21 LEU A 22 8.437 28.109 32.237 1.00 0.00 H ATOM 381 HD22 LEU A 22 8.073 26.689 31.227 1.00 0.00 H ATOM 382 HD23 LEU A 22 9.548 27.642 30.926 1.00 0.00 H ATOM 383 HD11 LEU A 22 7.794 30.538 29.352 1.00 0.00 H ATOM 384 HD12 LEU A 22 8.281 30.497 31.064 1.00 0.00 H ATOM 385 HD13 LEU A 22 9.383 29.878 29.810 1.00 0.00 H ATOM 386 H LEU A 22 5.303 27.673 28.434 1.00 0.00 H ATOM 387 N ASN A 23 3.172 26.670 30.863 1.00 12.22 N ATOM 388 CA ASN A 23 1.895 26.634 31.565 1.00 12.29 C ATOM 389 C ASN A 23 2.017 25.671 32.748 1.00 11.93 C ATOM 390 O ASN A 23 2.455 24.525 32.561 1.00 11.13 O ATOM 391 CB ASN A 23 0.810 26.180 30.610 1.00 14.02 C ATOM 392 CG ASN A 23 -0.558 26.351 31.195 1.00 19.18 C ATOM 393 OD1 ASN A 23 -0.905 25.699 32.173 1.00 13.98 O ATOM 394 ND2 ASN A 23 -1.331 27.282 30.637 1.00 21.89 N ATOM 395 HA ASN A 23 1.632 27.625 31.936 1.00 0.00 H ATOM 396 HB2 ASN A 23 0.878 26.768 29.694 1.00 0.00 H ATOM 397 HB3 ASN A 23 0.964 25.127 30.376 1.00 0.00 H ATOM 398 HD22 ASN A 23 -0.993 27.810 29.807 1.00 0.00 H ATOM 399 HD21 ASN A 23 -2.273 27.481 31.031 1.00 0.00 H ATOM 400 H ASN A 23 3.286 26.145 29.973 1.00 0.00 H ATOM 401 N ALA A 24 1.621 26.113 33.955 1.00 11.29 N ATOM 402 CA ALA A 24 1.707 25.280 35.167 1.00 11.58 C ATOM 403 C ALA A 24 1.021 23.912 35.055 1.00 10.61 C ATOM 404 O ALA A 24 1.355 22.992 35.799 1.00 10.95 O ATOM 405 CB ALA A 24 1.163 26.031 36.398 1.00 11.41 C ATOM 406 HA ALA A 24 2.772 25.080 35.287 1.00 0.00 H ATOM 407 HB1 ALA A 24 1.747 26.938 36.556 1.00 0.00 H ATOM 408 HB2 ALA A 24 0.119 26.294 36.229 1.00 0.00 H ATOM 409 HB3 ALA A 24 1.240 25.390 37.276 1.00 0.00 H ATOM 410 H ALA A 24 1.240 27.078 34.036 1.00 0.00 H ATOM 411 N GLU A 25 0.045 23.800 34.157 1.00 9.45 N ATOM 412 CA GLU A 25 -0.657 22.537 33.978 1.00 9.52 C ATOM 413 C GLU A 25 0.126 21.517 33.178 1.00 9.32 C ATOM 414 O GLU A 25 -0.243 20.340 33.136 1.00 9.42 O ATOM 415 CB GLU A 25 -1.974 22.752 33.271 1.00 11.41 C ATOM 416 CG GLU A 25 -2.934 23.571 34.099 1.00 12.81 C ATOM 417 CD GLU A 25 -4.300 23.706 33.441 1.00 18.86 C ATOM 418 OE1 GLU A 25 -5.187 24.212 34.136 1.00 20.29 O ATOM 419 OE2 GLU A 25 -4.493 23.322 32.255 1.00 19.50 O ATOM 420 HA GLU A 25 -0.804 22.149 34.986 1.00 0.00 H ATOM 421 HB2 GLU A 25 -1.788 23.271 32.331 1.00 0.00 H ATOM 422 HB3 GLU A 25 -2.426 21.782 33.065 1.00 0.00 H ATOM 423 HG2 GLU A 25 -3.059 23.090 35.069 1.00 0.00 H ATOM 424 HG3 GLU A 25 -2.513 24.567 34.240 1.00 0.00 H ATOM 425 H GLU A 25 -0.219 24.622 33.578 1.00 0.00 H ATOM 426 N ASN A 26 1.171 21.968 32.492 1.00 8.59 N ATOM 427 CA ASN A 26 1.956 21.061 31.661 1.00 9.00 C ATOM 428 C ASN A 26 2.896 20.120 32.425 1.00 8.41 C ATOM 429 O ASN A 26 3.717 20.574 33.204 1.00 10.06 O ATOM 430 CB ASN A 26 2.818 21.835 30.643 1.00 7.25 C ATOM 431 CG ASN A 26 1.993 22.518 29.562 1.00 7.94 C ATOM 432 OD1 ASN A 26 0.845 22.144 29.310 1.00 8.71 O ATOM 433 ND2 ASN A 26 2.591 23.503 28.891 1.00 7.04 N ATOM 434 HA ASN A 26 1.197 20.450 31.173 1.00 0.00 H ATOM 435 HB2 ASN A 26 3.388 22.595 31.177 1.00 0.00 H ATOM 436 HB3 ASN A 26 3.505 21.136 30.166 1.00 0.00 H ATOM 437 HD22 ASN A 26 3.561 23.786 29.137 1.00 0.00 H ATOM 438 HD21 ASN A 26 2.087 23.988 28.121 1.00 0.00 H ATOM 439 H ASN A 26 1.431 22.973 32.548 1.00 0.00 H ATOM 440 N PRO A 27 2.775 18.800 32.216 1.00 8.69 N ATOM 441 CA PRO A 27 3.690 17.883 32.922 1.00 8.45 C ATOM 442 C PRO A 27 5.020 17.851 32.148 1.00 7.74 C ATOM 443 O PRO A 27 5.128 18.398 31.015 1.00 7.52 O ATOM 444 CB PRO A 27 2.970 16.529 32.842 1.00 8.98 C ATOM 445 CG PRO A 27 2.205 16.600 31.615 1.00 11.87 C ATOM 446 CD PRO A 27 1.705 18.060 31.534 1.00 10.22 C ATOM 447 HA PRO A 27 3.914 18.163 33.951 1.00 0.00 H ATOM 448 HD3 PRO A 27 1.600 18.384 30.499 1.00 0.00 H ATOM 449 HD2 PRO A 27 0.752 18.180 32.050 1.00 0.00 H ATOM 450 HG3 PRO A 27 1.363 15.908 31.648 1.00 0.00 H ATOM 451 HG2 PRO A 27 2.834 16.363 30.757 1.00 0.00 H ATOM 452 HB2 PRO A 27 3.689 15.711 32.802 1.00 0.00 H ATOM 453 HB3 PRO A 27 2.312 16.390 33.700 1.00 0.00 H ATOM 454 N ARG A 28 6.023 17.194 32.726 1.00 6.44 N ATOM 455 CA ARG A 28 7.311 17.065 32.047 1.00 7.31 C ATOM 456 C ARG A 28 7.098 16.336 30.704 1.00 7.02 C ATOM 457 O ARG A 28 6.317 15.380 30.626 1.00 7.66 O ATOM 458 CB ARG A 28 8.286 16.249 32.884 1.00 7.87 C ATOM 459 CG ARG A 28 8.637 16.832 34.218 1.00 9.66 C ATOM 460 CD ARG A 28 9.418 15.785 34.969 1.00 15.89 C ATOM 461 NE ARG A 28 9.939 16.280 36.235 1.00 21.01 N ATOM 462 CZ ARG A 28 10.011 15.545 37.347 1.00 22.47 C ATOM 463 NH1 ARG A 28 9.584 14.280 37.340 1.00 20.92 N ATOM 464 NH2 ARG A 28 10.530 16.066 38.456 1.00 19.87 N ATOM 465 HA ARG A 28 7.721 18.063 31.891 1.00 0.00 H ATOM 466 HB2 ARG A 28 7.844 15.267 33.052 1.00 0.00 H ATOM 467 HB3 ARG A 28 9.208 16.138 32.313 1.00 0.00 H ATOM 468 HG2 ARG A 28 9.243 17.728 34.087 1.00 0.00 H ATOM 469 HG3 ARG A 28 7.729 17.086 34.766 1.00 0.00 H ATOM 470 HD2 ARG A 28 10.254 15.461 34.349 1.00 0.00 H ATOM 471 HD3 ARG A 28 8.764 14.936 35.168 1.00 0.00 H ATOM 472 HE ARG A 28 10.275 17.264 36.275 1.00 0.00 H ATOM 473 HH12 ARG A 28 9.640 13.707 38.206 1.00 0.00 H ATOM 474 HH11 ARG A 28 9.195 13.867 36.468 1.00 0.00 H ATOM 475 HH22 ARG A 28 10.586 15.494 39.323 1.00 0.00 H ATOM 476 HH21 ARG A 28 10.879 17.046 38.456 1.00 0.00 H ATOM 477 H ARG A 28 5.889 16.770 33.666 1.00 0.00 H ATOM 478 N GLY A 29 7.850 16.737 29.680 1.00 6.65 N ATOM 479 CA GLY A 29 7.720 16.088 28.395 1.00 6.72 C ATOM 480 C GLY A 29 6.653 16.656 27.479 1.00 6.43 C ATOM 481 O GLY A 29 6.452 16.120 26.390 1.00 7.19 O ATOM 482 HA3 GLY A 29 7.487 15.038 28.571 1.00 0.00 H ATOM 483 HA2 GLY A 29 8.679 16.165 27.882 1.00 0.00 H ATOM 484 H GLY A 29 8.529 17.515 29.805 1.00 0.00 H ATOM 485 N THR A 30 5.928 17.692 27.925 1.00 5.49 N ATOM 486 CA THR A 30 4.951 18.356 27.053 1.00 6.13 C ATOM 487 C THR A 30 5.826 18.924 25.911 1.00 6.07 C ATOM 488 O THR A 30 6.923 19.446 26.154 1.00 6.80 O ATOM 489 CB THR A 30 4.182 19.447 27.817 1.00 7.00 C ATOM 490 OG1 THR A 30 3.440 18.831 28.877 1.00 6.83 O ATOM 491 CG2 THR A 30 3.200 20.183 26.911 1.00 7.85 C ATOM 492 HA THR A 30 4.173 17.691 26.678 1.00 0.00 H ATOM 493 HB THR A 30 4.906 20.166 28.201 1.00 0.00 H ATOM 494 HG1 THR A 30 4.065 18.368 29.490 1.00 0.00 H ATOM 495 HG23 THR A 30 3.746 20.659 26.097 1.00 0.00 H ATOM 496 HG21 THR A 30 2.482 19.472 26.502 1.00 0.00 H ATOM 497 HG22 THR A 30 2.673 20.942 27.489 1.00 0.00 H ATOM 498 H THR A 30 6.059 18.029 28.900 1.00 0.00 H ATOM 499 N PHE A 31 5.374 18.790 24.672 1.00 6.55 N ATOM 500 CA PHE A 31 6.228 19.212 23.569 1.00 6.49 C ATOM 501 C PHE A 31 5.502 19.713 22.328 1.00 7.44 C ATOM 502 O PHE A 31 4.281 19.569 22.190 1.00 7.27 O ATOM 503 CB PHE A 31 7.113 17.999 23.163 1.00 7.48 C ATOM 504 CG PHE A 31 6.370 16.942 22.328 1.00 7.17 C ATOM 505 CD1 PHE A 31 6.432 16.948 20.912 1.00 7.31 C ATOM 506 CD2 PHE A 31 5.539 16.005 22.949 1.00 7.16 C ATOM 507 CE1 PHE A 31 5.677 16.029 20.130 1.00 6.80 C ATOM 508 CE2 PHE A 31 4.784 15.085 22.178 1.00 6.55 C ATOM 509 CZ PHE A 31 4.847 15.100 20.774 1.00 5.63 C ATOM 510 HA PHE A 31 6.797 20.066 23.937 1.00 0.00 H ATOM 511 HB2 PHE A 31 7.956 18.368 22.579 1.00 0.00 H ATOM 512 HB3 PHE A 31 7.482 17.523 24.071 1.00 0.00 H ATOM 513 HD2 PHE A 31 5.471 15.981 24.037 1.00 0.00 H ATOM 514 HE2 PHE A 31 4.147 14.357 22.680 1.00 0.00 H ATOM 515 HZ PHE A 31 4.255 14.395 20.190 1.00 0.00 H ATOM 516 HE1 PHE A 31 5.743 16.047 19.042 1.00 0.00 H ATOM 517 HD1 PHE A 31 7.073 17.673 20.410 1.00 0.00 H ATOM 518 H PHE A 31 4.430 18.392 24.491 1.00 0.00 H ATOM 519 N LEU A 32 6.298 20.234 21.399 1.00 6.72 N ATOM 520 CA LEU A 32 5.798 20.664 20.089 1.00 6.88 C ATOM 521 C LEU A 32 7.023 20.694 19.172 1.00 6.69 C ATOM 522 O LEU A 32 8.162 20.642 19.650 1.00 6.98 O ATOM 523 CB LEU A 32 5.120 22.047 20.167 1.00 6.86 C ATOM 524 CG LEU A 32 5.936 23.284 20.624 1.00 8.29 C ATOM 525 CD1 LEU A 32 6.795 23.826 19.467 1.00 7.12 C ATOM 526 CD2 LEU A 32 4.999 24.366 21.148 1.00 8.38 C ATOM 527 HA LEU A 32 5.033 19.985 19.713 1.00 0.00 H ATOM 528 HB2 LEU A 32 4.742 22.270 19.169 1.00 0.00 H ATOM 529 HB3 LEU A 32 4.282 21.949 20.858 1.00 0.00 H ATOM 530 HG LEU A 32 6.605 22.981 21.430 1.00 0.00 H ATOM 531 HD21 LEU A 32 4.311 24.663 20.357 1.00 0.00 H ATOM 532 HD22 LEU A 32 4.434 23.977 21.995 1.00 0.00 H ATOM 533 HD23 LEU A 32 5.584 25.229 21.466 1.00 0.00 H ATOM 534 HD11 LEU A 32 7.485 23.051 19.135 1.00 0.00 H ATOM 535 HD12 LEU A 32 6.147 24.116 18.640 1.00 0.00 H ATOM 536 HD13 LEU A 32 7.359 24.693 19.810 1.00 0.00 H ATOM 537 H LEU A 32 7.311 20.340 21.609 1.00 0.00 H ATOM 538 N VAL A 33 6.776 20.654 17.864 1.00 6.90 N ATOM 539 CA VAL A 33 7.840 20.750 16.854 1.00 7.06 C ATOM 540 C VAL A 33 7.495 22.003 16.049 1.00 7.50 C ATOM 541 O VAL A 33 6.321 22.258 15.753 1.00 8.22 O ATOM 542 CB VAL A 33 7.915 19.516 15.936 1.00 7.26 C ATOM 543 CG1 VAL A 33 8.975 19.739 14.858 1.00 7.17 C ATOM 544 CG2 VAL A 33 8.264 18.252 16.765 1.00 8.46 C ATOM 545 HA VAL A 33 8.820 20.801 17.328 1.00 0.00 H ATOM 546 HB VAL A 33 6.945 19.368 15.462 1.00 0.00 H ATOM 547 HG11 VAL A 33 8.710 20.615 14.266 1.00 0.00 H ATOM 548 HG12 VAL A 33 9.944 19.898 15.331 1.00 0.00 H ATOM 549 HG13 VAL A 33 9.024 18.863 14.211 1.00 0.00 H ATOM 550 HG21 VAL A 33 9.228 18.394 17.253 1.00 0.00 H ATOM 551 HG22 VAL A 33 7.494 18.090 17.519 1.00 0.00 H ATOM 552 HG23 VAL A 33 8.314 17.387 16.103 1.00 0.00 H ATOM 553 H VAL A 33 5.792 20.551 17.544 1.00 0.00 H ATOM 554 N ARG A 34 8.500 22.803 15.733 1.00 7.30 N ATOM 555 CA ARG A 34 8.276 24.048 15.009 1.00 7.72 C ATOM 556 C ARG A 34 9.477 24.279 14.107 1.00 7.48 C ATOM 557 O ARG A 34 10.440 23.516 14.146 1.00 8.31 O ATOM 558 CB ARG A 34 8.148 25.209 16.010 1.00 6.36 C ATOM 559 CG ARG A 34 9.381 25.353 16.907 1.00 8.03 C ATOM 560 CD ARG A 34 9.322 26.529 17.860 1.00 8.66 C ATOM 561 NE ARG A 34 10.457 26.544 18.802 1.00 8.31 N ATOM 562 CZ ARG A 34 11.657 27.059 18.534 1.00 8.58 C ATOM 563 NH1 ARG A 34 12.611 27.009 19.458 1.00 8.06 N ATOM 564 NH2 ARG A 34 11.883 27.658 17.368 1.00 9.31 N ATOM 565 HA ARG A 34 7.361 23.992 14.420 1.00 0.00 H ATOM 566 HB2 ARG A 34 8.011 26.136 15.454 1.00 0.00 H ATOM 567 HB3 ARG A 34 7.276 25.032 16.640 1.00 0.00 H ATOM 568 HG2 ARG A 34 9.485 24.441 17.495 1.00 0.00 H ATOM 569 HG3 ARG A 34 10.256 25.474 16.269 1.00 0.00 H ATOM 570 HD2 ARG A 34 8.394 26.473 18.429 1.00 0.00 H ATOM 571 HD3 ARG A 34 9.335 27.452 17.280 1.00 0.00 H ATOM 572 HE ARG A 34 10.311 26.123 19.742 1.00 0.00 H ATOM 573 HH12 ARG A 34 13.550 27.408 19.258 1.00 0.00 H ATOM 574 HH11 ARG A 34 12.418 26.571 20.381 1.00 0.00 H ATOM 575 HH22 ARG A 34 12.820 28.059 17.162 1.00 0.00 H ATOM 576 HH21 ARG A 34 11.122 27.726 16.662 1.00 0.00 H ATOM 577 H ARG A 34 9.468 22.539 16.006 1.00 0.00 H ATOM 578 N GLU A 35 9.386 25.264 13.222 1.00 8.71 N ATOM 579 CA GLU A 35 10.528 25.577 12.380 1.00 8.77 C ATOM 580 C GLU A 35 11.591 26.253 13.246 1.00 8.89 C ATOM 581 O GLU A 35 11.290 26.911 14.256 1.00 8.49 O ATOM 582 CB GLU A 35 10.163 26.591 11.311 1.00 9.85 C ATOM 583 CG GLU A 35 9.161 26.147 10.279 1.00 11.68 C ATOM 584 CD GLU A 35 8.849 27.265 9.281 1.00 13.66 C ATOM 585 OE1 GLU A 35 8.007 27.024 8.384 1.00 15.20 O ATOM 586 OE2 GLU A 35 9.425 28.382 9.395 1.00 12.68 O ATOM 587 HA GLU A 35 10.871 24.649 11.922 1.00 0.00 H ATOM 588 HB2 GLU A 35 9.756 27.469 11.812 1.00 0.00 H ATOM 589 HB3 GLU A 35 11.079 26.865 10.787 1.00 0.00 H ATOM 590 HG2 GLU A 35 9.565 25.292 9.738 1.00 0.00 H ATOM 591 HG3 GLU A 35 8.240 25.854 10.783 1.00 0.00 H ATOM 592 H GLU A 35 8.504 25.808 13.132 1.00 0.00 H ATOM 593 N SER A 36 12.846 26.056 12.865 1.00 9.21 N ATOM 594 CA SER A 36 13.944 26.738 13.524 1.00 10.04 C ATOM 595 C SER A 36 13.780 28.205 13.074 1.00 10.81 C ATOM 596 O SER A 36 13.369 28.475 11.928 1.00 9.67 O ATOM 597 CB SER A 36 15.279 26.215 12.978 1.00 11.35 C ATOM 598 OG SER A 36 16.337 27.148 13.207 1.00 13.26 O ATOM 599 HA SER A 36 13.937 26.601 14.605 1.00 0.00 H ATOM 600 HB2 SER A 36 15.182 26.045 11.906 1.00 0.00 H ATOM 601 HB3 SER A 36 15.521 25.275 13.473 1.00 0.00 H ATOM 602 HG SER A 36 16.434 27.303 14.180 1.00 0.00 H ATOM 603 H SER A 36 13.046 25.402 12.081 1.00 0.00 H ATOM 604 N GLU A 37 14.128 29.147 13.941 1.00 10.79 N ATOM 605 CA GLU A 37 14.009 30.548 13.555 1.00 12.00 C ATOM 606 C GLU A 37 15.026 30.938 12.479 1.00 14.16 C ATOM 607 O GLU A 37 14.699 31.654 11.512 1.00 13.74 O ATOM 608 CB GLU A 37 14.221 31.469 14.751 1.00 11.47 C ATOM 609 CG GLU A 37 13.022 31.505 15.697 1.00 11.12 C ATOM 610 CD GLU A 37 13.203 32.453 16.853 1.00 11.67 C ATOM 611 OE1 GLU A 37 14.271 33.085 16.968 1.00 11.88 O ATOM 612 OE2 GLU A 37 12.250 32.574 17.649 1.00 9.82 O ATOM 613 HA GLU A 37 13.000 30.664 13.160 1.00 0.00 H ATOM 614 HB2 GLU A 37 15.092 31.122 15.307 1.00 0.00 H ATOM 615 HB3 GLU A 37 14.405 32.479 14.384 1.00 0.00 H ATOM 616 HG2 GLU A 37 12.143 31.814 15.131 1.00 0.00 H ATOM 617 HG3 GLU A 37 12.864 30.502 16.093 1.00 0.00 H ATOM 618 H GLU A 37 14.481 28.889 14.885 1.00 0.00 H ATOM 619 N THR A 38 16.243 30.429 12.636 1.00 14.87 N ATOM 620 CA THR A 38 17.315 30.833 11.756 1.00 16.27 C ATOM 621 C THR A 38 17.984 29.785 10.883 1.00 17.98 C ATOM 622 O THR A 38 18.773 30.144 9.992 1.00 18.30 O ATOM 623 CB THR A 38 18.396 31.603 12.575 1.00 17.02 C ATOM 624 OG1 THR A 38 19.022 30.716 13.518 1.00 16.23 O ATOM 625 CG2 THR A 38 17.756 32.767 13.351 1.00 15.22 C ATOM 626 HA THR A 38 16.802 31.456 11.023 1.00 0.00 H ATOM 627 HB THR A 38 19.137 31.992 11.877 1.00 0.00 H ATOM 628 HG1 THR A 38 19.706 31.213 14.033 1.00 0.00 H ATOM 629 HG23 THR A 38 17.276 33.450 12.649 1.00 0.00 H ATOM 630 HG21 THR A 38 17.012 32.374 14.044 1.00 0.00 H ATOM 631 HG22 THR A 38 18.528 33.299 13.907 1.00 0.00 H ATOM 632 H THR A 38 16.424 29.739 13.393 1.00 0.00 H ATOM 633 N THR A 39 17.697 28.505 11.113 1.00 17.15 N ATOM 634 CA THR A 39 18.313 27.455 10.289 1.00 17.65 C ATOM 635 C THR A 39 17.349 26.936 9.236 1.00 17.68 C ATOM 636 O THR A 39 16.436 26.156 9.526 1.00 16.86 O ATOM 637 CB THR A 39 18.856 26.335 11.131 1.00 18.85 C ATOM 638 OG1 THR A 39 19.800 26.878 12.068 1.00 21.77 O ATOM 639 CG2 THR A 39 19.532 25.290 10.247 1.00 17.42 C ATOM 640 HA THR A 39 19.156 27.909 9.768 1.00 0.00 H ATOM 641 HB THR A 39 18.041 25.851 11.669 1.00 0.00 H ATOM 642 HG1 THR A 39 20.164 26.148 12.628 1.00 0.00 H ATOM 643 HG23 THR A 39 18.805 24.887 9.542 1.00 0.00 H ATOM 644 HG21 THR A 39 20.352 25.755 9.699 1.00 0.00 H ATOM 645 HG22 THR A 39 19.920 24.485 10.871 1.00 0.00 H ATOM 646 H THR A 39 17.037 28.248 11.875 1.00 0.00 H ATOM 647 N LYS A 40 17.554 27.409 8.008 1.00 17.40 N ATOM 648 CA LYS A 40 16.715 27.047 6.888 1.00 18.58 C ATOM 649 C LYS A 40 16.670 25.540 6.778 1.00 17.90 C ATOM 650 O LYS A 40 17.698 24.877 6.910 1.00 18.26 O ATOM 651 CB LYS A 40 17.279 27.677 5.602 1.00 22.43 C ATOM 652 CG LYS A 40 16.729 27.118 4.300 1.00 30.21 C ATOM 653 CD LYS A 40 15.802 28.085 3.537 1.00 36.61 C ATOM 654 CE LYS A 40 16.071 28.015 2.018 1.00 39.21 C ATOM 655 NZ LYS A 40 16.205 26.614 1.505 1.00 42.30 N ATOM 656 HA LYS A 40 15.701 27.420 7.036 1.00 0.00 H ATOM 657 HB2 LYS A 40 17.060 28.745 5.628 1.00 0.00 H ATOM 658 HB3 LYS A 40 18.359 27.528 5.601 1.00 0.00 H ATOM 659 HG2 LYS A 40 17.570 26.868 3.653 1.00 0.00 H ATOM 660 HG3 LYS A 40 16.166 26.213 4.527 1.00 0.00 H ATOM 661 HD2 LYS A 40 14.764 27.813 3.730 1.00 0.00 H ATOM 662 HD3 LYS A 40 15.981 29.102 3.886 1.00 0.00 H ATOM 663 HE2 LYS A 40 16.995 28.552 1.805 1.00 0.00 H ATOM 664 HE3 LYS A 40 15.244 28.497 1.497 1.00 0.00 H ATOM 665 HZ1 LYS A 40 16.998 26.144 1.987 1.00 0.00 H ATOM 666 HZ2 LYS A 40 15.325 26.092 1.693 1.00 0.00 H ATOM 667 HZ3 LYS A 40 16.384 26.637 0.481 1.00 0.00 H ATOM 668 H LYS A 40 18.347 28.063 7.849 1.00 0.00 H ATOM 669 N GLY A 41 15.459 25.013 6.645 1.00 17.73 N ATOM 670 CA GLY A 41 15.289 23.580 6.493 1.00 18.42 C ATOM 671 C GLY A 41 15.382 22.746 7.756 1.00 17.92 C ATOM 672 O GLY A 41 15.206 21.525 7.672 1.00 18.04 O ATOM 673 HA3 GLY A 41 16.058 23.227 5.806 1.00 0.00 H ATOM 674 HA2 GLY A 41 14.306 23.408 6.055 1.00 0.00 H ATOM 675 H GLY A 41 14.624 25.633 6.650 1.00 0.00 H ATOM 676 N ALA A 42 15.620 23.388 8.905 1.00 16.19 N ATOM 677 CA ALA A 42 15.724 22.680 10.174 1.00 13.54 C ATOM 678 C ALA A 42 14.508 22.964 11.062 1.00 13.25 C ATOM 679 O ALA A 42 13.788 23.947 10.860 1.00 12.93 O ATOM 680 CB ALA A 42 17.003 23.047 10.903 1.00 13.47 C ATOM 681 HA ALA A 42 15.750 21.613 9.953 1.00 0.00 H ATOM 682 HB1 ALA A 42 17.861 22.782 10.285 1.00 0.00 H ATOM 683 HB2 ALA A 42 17.013 24.119 11.100 1.00 0.00 H ATOM 684 HB3 ALA A 42 17.051 22.502 11.846 1.00 0.00 H ATOM 685 H ALA A 42 15.734 24.422 8.892 1.00 0.00 H ATOM 686 N TYR A 43 14.271 22.068 12.016 1.00 10.85 N ATOM 687 CA TYR A 43 13.149 22.191 12.939 1.00 9.83 C ATOM 688 C TYR A 43 13.675 22.262 14.356 1.00 8.30 C ATOM 689 O TYR A 43 14.853 22.031 14.608 1.00 8.55 O ATOM 690 CB TYR A 43 12.226 20.964 12.831 1.00 9.52 C ATOM 691 CG TYR A 43 11.689 20.739 11.441 1.00 10.86 C ATOM 692 CD1 TYR A 43 12.255 19.780 10.591 1.00 13.68 C ATOM 693 CD2 TYR A 43 10.656 21.528 10.949 1.00 12.92 C ATOM 694 CE1 TYR A 43 11.796 19.624 9.276 1.00 16.76 C ATOM 695 CE2 TYR A 43 10.192 21.386 9.652 1.00 15.42 C ATOM 696 CZ TYR A 43 10.765 20.438 8.820 1.00 20.41 C ATOM 697 OH TYR A 43 10.311 20.346 7.531 1.00 24.28 O ATOM 698 HA TYR A 43 12.590 23.092 12.687 1.00 0.00 H ATOM 699 HB3 TYR A 43 11.384 21.104 13.509 1.00 0.00 H ATOM 700 HB2 TYR A 43 12.789 20.080 13.131 1.00 0.00 H ATOM 701 HD2 TYR A 43 10.201 22.275 11.599 1.00 0.00 H ATOM 702 HE2 TYR A 43 9.381 22.016 9.288 1.00 0.00 H ATOM 703 HE1 TYR A 43 12.241 18.875 8.620 1.00 0.00 H ATOM 704 HD1 TYR A 43 13.063 19.147 10.957 1.00 0.00 H ATOM 705 HH TYR A 43 10.807 19.632 7.058 1.00 0.00 H ATOM 706 H TYR A 43 14.908 21.251 12.107 1.00 0.00 H ATOM 707 N CYS A 44 12.791 22.579 15.285 1.00 8.12 N ATOM 708 CA CYS A 44 13.144 22.605 16.690 1.00 7.68 C ATOM 709 C CYS A 44 12.068 21.864 17.439 1.00 7.32 C ATOM 710 O CYS A 44 10.881 22.024 17.146 1.00 6.90 O ATOM 711 CB CYS A 44 13.194 24.017 17.258 1.00 9.61 C ATOM 712 SG CYS A 44 14.670 24.963 16.798 1.00 15.70 S ATOM 713 HA CYS A 44 14.133 22.159 16.796 1.00 0.00 H ATOM 714 HB2 CYS A 44 13.159 23.948 18.345 1.00 0.00 H ATOM 715 HB3 CYS A 44 12.318 24.559 16.901 1.00 0.00 H ATOM 716 HG CYS A 44 15.795 24.307 17.254 1.00 0.00 H ATOM 717 H CYS A 44 11.819 22.815 15.001 1.00 0.00 H ATOM 718 N LEU A 45 12.520 20.965 18.302 1.00 6.24 N ATOM 719 CA LEU A 45 11.665 20.196 19.203 1.00 7.01 C ATOM 720 C LEU A 45 11.732 20.957 20.544 1.00 7.46 C ATOM 721 O LEU A 45 12.803 21.037 21.156 1.00 6.48 O ATOM 722 CB LEU A 45 12.211 18.770 19.369 1.00 8.10 C ATOM 723 CG LEU A 45 11.598 17.856 20.460 1.00 5.57 C ATOM 724 CD1 LEU A 45 10.126 17.629 20.235 1.00 6.00 C ATOM 725 CD2 LEU A 45 12.337 16.519 20.433 1.00 7.38 C ATOM 726 HA LEU A 45 10.645 20.102 18.830 1.00 0.00 H ATOM 727 HB2 LEU A 45 12.077 18.263 18.414 1.00 0.00 H ATOM 728 HB3 LEU A 45 13.276 18.858 19.586 1.00 0.00 H ATOM 729 HG LEU A 45 11.707 18.341 21.430 1.00 0.00 H ATOM 730 HD21 LEU A 45 12.221 16.061 19.451 1.00 0.00 H ATOM 731 HD22 LEU A 45 13.395 16.686 20.634 1.00 0.00 H ATOM 732 HD23 LEU A 45 11.921 15.860 21.195 1.00 0.00 H ATOM 733 HD11 LEU A 45 9.605 18.586 20.256 1.00 0.00 H ATOM 734 HD12 LEU A 45 9.977 17.154 19.265 1.00 0.00 H ATOM 735 HD13 LEU A 45 9.735 16.983 21.021 1.00 0.00 H ATOM 736 H LEU A 45 13.546 20.797 18.340 1.00 0.00 H ATOM 737 N SER A 46 10.624 21.580 20.946 1.00 6.14 N ATOM 738 CA SER A 46 10.588 22.339 22.200 1.00 6.89 C ATOM 739 C SER A 46 9.887 21.471 23.246 1.00 6.81 C ATOM 740 O SER A 46 8.769 20.988 23.014 1.00 6.19 O ATOM 741 CB SER A 46 9.897 23.672 21.959 1.00 6.66 C ATOM 742 OG SER A 46 10.662 24.401 21.008 1.00 6.23 O ATOM 743 HA SER A 46 11.586 22.573 22.571 1.00 0.00 H ATOM 744 HB2 SER A 46 9.837 24.232 22.893 1.00 0.00 H ATOM 745 HB3 SER A 46 8.892 23.503 21.573 1.00 0.00 H ATOM 746 HG SER A 46 11.574 24.549 21.363 1.00 0.00 H ATOM 747 H SER A 46 9.768 21.527 20.358 1.00 0.00 H ATOM 748 N VAL A 47 10.546 21.297 24.401 1.00 6.63 N ATOM 749 CA VAL A 47 10.074 20.379 25.441 1.00 6.09 C ATOM 750 C VAL A 47 10.052 20.995 26.834 1.00 6.78 C ATOM 751 O VAL A 47 11.015 21.689 27.229 1.00 7.29 O ATOM 752 CB VAL A 47 10.999 19.114 25.496 1.00 6.74 C ATOM 753 CG1 VAL A 47 10.417 18.024 26.401 1.00 7.58 C ATOM 754 CG2 VAL A 47 11.273 18.564 24.095 1.00 6.55 C ATOM 755 HA VAL A 47 9.050 20.123 25.168 1.00 0.00 H ATOM 756 HB VAL A 47 11.948 19.431 25.928 1.00 0.00 H ATOM 757 HG11 VAL A 47 10.308 18.414 27.413 1.00 0.00 H ATOM 758 HG12 VAL A 47 9.442 17.720 26.020 1.00 0.00 H ATOM 759 HG13 VAL A 47 11.088 17.165 26.411 1.00 0.00 H ATOM 760 HG21 VAL A 47 10.330 18.285 23.625 1.00 0.00 H ATOM 761 HG22 VAL A 47 11.766 19.329 23.496 1.00 0.00 H ATOM 762 HG23 VAL A 47 11.917 17.688 24.170 1.00 0.00 H ATOM 763 H VAL A 47 11.423 21.832 24.564 1.00 0.00 H ATOM 764 N SER A 48 8.973 20.721 27.584 1.00 6.36 N ATOM 765 CA SER A 48 8.897 21.241 28.947 1.00 8.01 C ATOM 766 C SER A 48 9.573 20.264 29.911 1.00 8.50 C ATOM 767 O SER A 48 9.622 19.045 29.676 1.00 8.26 O ATOM 768 CB SER A 48 7.449 21.515 29.363 1.00 8.41 C ATOM 769 OG SER A 48 6.741 20.320 29.595 1.00 9.35 O ATOM 770 HA SER A 48 9.425 22.194 28.984 1.00 0.00 H ATOM 771 HB2 SER A 48 6.952 22.072 28.569 1.00 0.00 H ATOM 772 HB3 SER A 48 7.450 22.109 30.277 1.00 0.00 H ATOM 773 HG SER A 48 7.184 19.811 30.319 1.00 0.00 H ATOM 774 H SER A 48 8.198 20.144 27.198 1.00 0.00 H ATOM 775 N ASP A 49 10.145 20.823 30.970 1.00 9.89 N ATOM 776 CA ASP A 49 10.791 20.038 32.005 1.00 9.55 C ATOM 777 C ASP A 49 10.426 20.666 33.348 1.00 10.10 C ATOM 778 O ASP A 49 9.861 21.774 33.406 1.00 9.62 O ATOM 779 CB ASP A 49 12.308 20.035 31.854 1.00 10.05 C ATOM 780 CG ASP A 49 12.981 18.893 32.648 1.00 13.38 C ATOM 781 OD1 ASP A 49 12.285 17.999 33.211 1.00 14.17 O ATOM 782 OD2 ASP A 49 14.228 18.868 32.670 1.00 14.50 O ATOM 783 HA ASP A 49 10.453 19.004 31.932 1.00 0.00 H ATOM 784 HB2 ASP A 49 12.554 19.919 30.798 1.00 0.00 H ATOM 785 HB3 ASP A 49 12.697 20.987 32.214 1.00 0.00 H ATOM 786 H ASP A 49 10.130 21.859 31.061 1.00 0.00 H ATOM 787 N PHE A 50 10.704 19.936 34.419 1.00 10.60 N ATOM 788 CA PHE A 50 10.427 20.422 35.756 1.00 12.85 C ATOM 789 C PHE A 50 11.346 19.746 36.763 1.00 14.16 C ATOM 790 O PHE A 50 11.623 18.540 36.669 1.00 14.49 O ATOM 791 CB PHE A 50 8.958 20.136 36.157 1.00 11.74 C ATOM 792 CG PHE A 50 8.629 20.528 37.573 1.00 11.43 C ATOM 793 CD1 PHE A 50 8.892 19.653 38.639 1.00 12.29 C ATOM 794 CD2 PHE A 50 8.146 21.801 37.858 1.00 12.44 C ATOM 795 CE1 PHE A 50 8.692 20.056 39.982 1.00 14.88 C ATOM 796 CE2 PHE A 50 7.936 22.219 39.202 1.00 15.66 C ATOM 797 CZ PHE A 50 8.218 21.336 40.261 1.00 15.56 C ATOM 798 HA PHE A 50 10.598 21.499 35.758 1.00 0.00 H ATOM 799 HB2 PHE A 50 8.303 20.691 35.485 1.00 0.00 H ATOM 800 HB3 PHE A 50 8.772 19.068 36.043 1.00 0.00 H ATOM 801 HD2 PHE A 50 7.925 22.488 37.041 1.00 0.00 H ATOM 802 HE2 PHE A 50 7.558 23.220 39.411 1.00 0.00 H ATOM 803 HZ PHE A 50 8.066 21.652 41.293 1.00 0.00 H ATOM 804 HE1 PHE A 50 8.909 19.365 40.797 1.00 0.00 H ATOM 805 HD1 PHE A 50 9.256 18.647 38.430 1.00 0.00 H ATOM 806 H PHE A 50 11.130 18.995 34.297 1.00 0.00 H ATOM 807 N ASP A 51 11.873 20.564 37.673 1.00 16.05 N ATOM 808 CA ASP A 51 12.648 20.077 38.815 1.00 17.64 C ATOM 809 C ASP A 51 12.492 21.120 39.948 1.00 18.77 C ATOM 810 O ASP A 51 12.026 22.243 39.708 1.00 16.83 O ATOM 811 CB ASP A 51 14.088 19.630 38.465 1.00 21.61 C ATOM 812 CG ASP A 51 14.965 20.745 37.962 1.00 25.82 C ATOM 813 OD1 ASP A 51 15.767 20.506 37.020 1.00 29.75 O ATOM 814 OD2 ASP A 51 14.894 21.833 38.549 1.00 29.29 O ATOM 815 HA ASP A 51 12.252 19.129 39.178 1.00 0.00 H ATOM 816 HB2 ASP A 51 14.545 19.210 39.361 1.00 0.00 H ATOM 817 HB3 ASP A 51 14.032 18.862 37.694 1.00 0.00 H ATOM 818 H ASP A 51 11.728 21.588 37.568 1.00 0.00 H ATOM 819 N ASN A 52 12.756 20.722 41.194 1.00 20.49 N ATOM 820 CA ASN A 52 12.587 21.647 42.318 1.00 23.39 C ATOM 821 C ASN A 52 13.550 22.831 42.208 1.00 25.56 C ATOM 822 O ASN A 52 13.216 23.949 42.618 1.00 27.25 O ATOM 823 CB ASN A 52 12.758 20.929 43.677 1.00 23.48 C ATOM 824 CG ASN A 52 11.730 19.812 43.892 1.00 23.39 C ATOM 825 OD1 ASN A 52 10.661 19.816 43.286 1.00 21.69 O ATOM 826 ND2 ASN A 52 12.072 18.838 44.737 1.00 18.81 N ATOM 827 HA ASN A 52 11.568 22.030 42.270 1.00 0.00 H ATOM 828 HB2 ASN A 52 13.757 20.496 43.719 1.00 0.00 H ATOM 829 HB3 ASN A 52 12.648 21.663 44.475 1.00 0.00 H ATOM 830 HD22 ASN A 52 12.987 18.874 45.229 1.00 0.00 H ATOM 831 HD21 ASN A 52 11.423 18.042 44.903 1.00 0.00 H ATOM 832 H ASN A 52 13.083 19.750 41.368 1.00 0.00 H ATOM 833 N ALA A 53 14.703 22.589 41.584 1.00 26.76 N ATOM 834 CA ALA A 53 15.730 23.620 41.398 1.00 28.15 C ATOM 835 C ALA A 53 15.255 24.740 40.466 1.00 28.14 C ATOM 836 O ALA A 53 15.059 25.892 40.881 1.00 29.98 O ATOM 837 CB ALA A 53 16.999 22.982 40.857 1.00 29.06 C ATOM 838 HA ALA A 53 15.933 24.074 42.368 1.00 0.00 H ATOM 839 HB1 ALA A 53 17.358 22.235 41.564 1.00 0.00 H ATOM 840 HB2 ALA A 53 16.785 22.505 39.900 1.00 0.00 H ATOM 841 HB3 ALA A 53 17.760 23.750 40.720 1.00 0.00 H ATOM 842 H ALA A 53 14.881 21.633 41.215 1.00 0.00 H ATOM 843 N LYS A 54 15.033 24.374 39.209 1.00 26.41 N ATOM 844 CA LYS A 54 14.597 25.299 38.164 1.00 24.88 C ATOM 845 C LYS A 54 13.096 25.510 38.074 1.00 22.40 C ATOM 846 O LYS A 54 12.627 26.494 37.504 1.00 22.30 O ATOM 847 CB LYS A 54 15.058 24.794 36.792 1.00 25.54 C ATOM 848 CG LYS A 54 16.548 24.647 36.607 1.00 25.65 C ATOM 849 CD LYS A 54 16.833 24.213 35.181 1.00 26.05 C ATOM 850 CE LYS A 54 18.320 24.244 34.872 1.00 27.21 C ATOM 851 NZ LYS A 54 18.609 24.171 33.389 1.00 27.78 N ATOM 852 HA LYS A 54 15.048 26.252 38.441 1.00 0.00 H ATOM 853 HB2 LYS A 54 14.603 23.817 36.626 1.00 0.00 H ATOM 854 HB3 LYS A 54 14.696 25.495 36.040 1.00 0.00 H ATOM 855 HG2 LYS A 54 17.036 25.602 36.802 1.00 0.00 H ATOM 856 HG3 LYS A 54 16.930 23.897 37.300 1.00 0.00 H ATOM 857 HD2 LYS A 54 16.463 23.197 35.040 1.00 0.00 H ATOM 858 HD3 LYS A 54 16.315 24.885 34.497 1.00 0.00 H ATOM 859 HE2 LYS A 54 18.796 23.395 35.363 1.00 0.00 H ATOM 860 HE3 LYS A 54 18.739 25.171 35.264 1.00 0.00 H ATOM 861 HZ1 LYS A 54 18.221 23.286 33.005 1.00 0.00 H ATOM 862 HZ2 LYS A 54 18.166 24.981 32.910 1.00 0.00 H ATOM 863 HZ3 LYS A 54 19.637 24.196 33.236 1.00 0.00 H ATOM 864 H LYS A 54 15.177 23.376 38.954 1.00 0.00 H ATOM 865 N GLY A 55 12.332 24.550 38.576 1.00 20.38 N ATOM 866 CA GLY A 55 10.888 24.658 38.460 1.00 17.19 C ATOM 867 C GLY A 55 10.556 24.306 37.013 1.00 14.61 C ATOM 868 O GLY A 55 11.313 23.556 36.371 1.00 13.36 O ATOM 869 HA3 GLY A 55 10.564 25.674 38.687 1.00 0.00 H ATOM 870 HA2 GLY A 55 10.400 23.961 39.141 1.00 0.00 H ATOM 871 H GLY A 55 12.762 23.729 39.048 1.00 0.00 H ATOM 872 N LEU A 56 9.451 24.849 36.505 1.00 13.08 N ATOM 873 CA LEU A 56 9.011 24.575 35.137 1.00 12.90 C ATOM 874 C LEU A 56 9.909 25.356 34.169 1.00 11.75 C ATOM 875 O LEU A 56 10.092 26.573 34.334 1.00 11.94 O ATOM 876 CB LEU A 56 7.542 24.957 34.986 1.00 14.71 C ATOM 877 CG LEU A 56 6.777 24.650 33.699 1.00 17.69 C ATOM 878 CD1 LEU A 56 6.778 23.188 33.429 1.00 17.53 C ATOM 879 CD2 LEU A 56 5.363 25.158 33.811 1.00 22.04 C ATOM 880 HA LEU A 56 9.097 23.513 34.907 1.00 0.00 H ATOM 881 HB2 LEU A 56 7.007 24.455 35.792 1.00 0.00 H ATOM 882 HB3 LEU A 56 7.486 26.036 35.130 1.00 0.00 H ATOM 883 HG LEU A 56 7.271 25.153 32.868 1.00 0.00 H ATOM 884 HD21 LEU A 56 4.868 24.669 34.650 1.00 0.00 H ATOM 885 HD22 LEU A 56 5.377 26.236 33.974 1.00 0.00 H ATOM 886 HD23 LEU A 56 4.824 24.935 32.890 1.00 0.00 H ATOM 887 HD11 LEU A 56 7.806 22.840 33.322 1.00 0.00 H ATOM 888 HD12 LEU A 56 6.301 22.666 34.258 1.00 0.00 H ATOM 889 HD13 LEU A 56 6.229 22.989 32.509 1.00 0.00 H ATOM 890 H LEU A 56 8.884 25.487 37.099 1.00 0.00 H ATOM 891 N ASN A 57 10.487 24.666 33.180 1.00 10.53 N ATOM 892 CA ASN A 57 11.398 25.315 32.240 1.00 10.05 C ATOM 893 C ASN A 57 11.313 24.617 30.908 1.00 10.08 C ATOM 894 O ASN A 57 10.723 23.543 30.823 1.00 11.33 O ATOM 895 CB ASN A 57 12.844 25.343 32.764 1.00 9.99 C ATOM 896 CG ASN A 57 13.419 23.958 32.995 1.00 10.49 C ATOM 897 OD1 ASN A 57 14.255 23.486 32.220 1.00 13.30 O ATOM 898 ND2 ASN A 57 13.011 23.317 34.085 1.00 10.73 N ATOM 899 HA ASN A 57 11.094 26.355 32.123 1.00 0.00 H ATOM 900 HB2 ASN A 57 13.468 25.861 32.035 1.00 0.00 H ATOM 901 HB3 ASN A 57 12.861 25.888 33.708 1.00 0.00 H ATOM 902 HD22 ASN A 57 12.304 23.753 34.711 1.00 0.00 H ATOM 903 HD21 ASN A 57 13.399 22.379 34.313 1.00 0.00 H ATOM 904 H ASN A 57 10.285 23.651 33.078 1.00 0.00 H ATOM 905 N VAL A 58 11.959 25.183 29.889 1.00 8.34 N ATOM 906 CA VAL A 58 11.853 24.642 28.533 1.00 8.16 C ATOM 907 C VAL A 58 13.209 24.433 27.872 1.00 8.05 C ATOM 908 O VAL A 58 14.094 25.273 28.025 1.00 8.04 O ATOM 909 CB VAL A 58 11.005 25.620 27.655 1.00 8.49 C ATOM 910 CG1 VAL A 58 10.840 25.110 26.223 1.00 9.17 C ATOM 911 CG2 VAL A 58 9.626 25.864 28.299 1.00 8.87 C ATOM 912 HA VAL A 58 11.374 23.666 28.612 1.00 0.00 H ATOM 913 HB VAL A 58 11.548 26.564 27.605 1.00 0.00 H ATOM 914 HG11 VAL A 58 11.822 25.003 25.762 1.00 0.00 H ATOM 915 HG12 VAL A 58 10.337 24.143 26.239 1.00 0.00 H ATOM 916 HG13 VAL A 58 10.244 25.822 25.651 1.00 0.00 H ATOM 917 HG21 VAL A 58 9.095 24.916 28.388 1.00 0.00 H ATOM 918 HG22 VAL A 58 9.761 26.301 29.288 1.00 0.00 H ATOM 919 HG23 VAL A 58 9.050 26.547 27.674 1.00 0.00 H ATOM 920 H VAL A 58 12.548 26.023 30.060 1.00 0.00 H ATOM 921 N LYS A 59 13.345 23.330 27.136 1.00 7.05 N ATOM 922 CA LYS A 59 14.551 23.023 26.390 1.00 8.02 C ATOM 923 C LYS A 59 14.184 22.959 24.902 1.00 7.66 C ATOM 924 O LYS A 59 13.058 22.626 24.550 1.00 7.97 O ATOM 925 CB LYS A 59 15.153 21.698 26.823 1.00 9.10 C ATOM 926 CG LYS A 59 15.758 21.691 28.232 1.00 14.61 C ATOM 927 CD LYS A 59 16.961 22.640 28.360 1.00 20.83 C ATOM 928 CE LYS A 59 17.693 22.441 29.703 1.00 24.67 C ATOM 929 NZ LYS A 59 18.752 23.470 29.992 1.00 25.51 N ATOM 930 HA LYS A 59 15.294 23.798 26.578 1.00 0.00 H ATOM 931 HB2 LYS A 59 14.368 20.942 26.788 1.00 0.00 H ATOM 932 HB3 LYS A 59 15.940 21.436 26.115 1.00 0.00 H ATOM 933 HG2 LYS A 59 14.992 21.999 28.943 1.00 0.00 H ATOM 934 HG3 LYS A 59 16.085 20.678 28.468 1.00 0.00 H ATOM 935 HD2 LYS A 59 17.656 22.444 27.544 1.00 0.00 H ATOM 936 HD3 LYS A 59 16.609 23.670 28.296 1.00 0.00 H ATOM 937 HE2 LYS A 59 18.166 21.459 29.692 1.00 0.00 H ATOM 938 HE3 LYS A 59 16.954 22.478 30.503 1.00 0.00 H ATOM 939 HZ1 LYS A 59 19.475 23.441 29.245 1.00 0.00 H ATOM 940 HZ2 LYS A 59 18.318 24.414 30.020 1.00 0.00 H ATOM 941 HZ3 LYS A 59 19.193 23.263 30.911 1.00 0.00 H ATOM 942 H LYS A 59 12.551 22.659 27.095 1.00 0.00 H ATOM 943 N HIS A 60 15.133 23.307 24.037 1.00 7.34 N ATOM 944 CA HIS A 60 14.923 23.298 22.583 1.00 8.07 C ATOM 945 C HIS A 60 16.020 22.444 21.940 1.00 8.11 C ATOM 946 O HIS A 60 17.194 22.611 22.260 1.00 8.99 O ATOM 947 CB HIS A 60 14.999 24.722 22.030 1.00 5.92 C ATOM 948 CG HIS A 60 14.041 25.671 22.693 1.00 6.95 C ATOM 949 ND1 HIS A 60 12.717 25.757 22.342 1.00 6.68 N ATOM 950 CD2 HIS A 60 14.218 26.550 23.717 1.00 7.09 C ATOM 951 CE1 HIS A 60 12.107 26.645 23.113 1.00 6.95 C ATOM 952 NE2 HIS A 60 12.997 27.135 23.959 1.00 7.28 N ATOM 953 HA HIS A 60 13.939 22.887 22.357 1.00 0.00 H ATOM 954 HB2 HIS A 60 16.013 25.096 22.175 1.00 0.00 H ATOM 955 HB3 HIS A 60 14.774 24.692 20.964 1.00 0.00 H ATOM 956 HD2 HIS A 60 15.150 26.752 24.245 1.00 0.00 H ATOM 957 HE1 HIS A 60 11.054 26.923 23.059 1.00 0.00 H ATOM 958 H HIS A 60 16.061 23.597 24.405 1.00 0.00 H ATOM 959 N TYR A 61 15.627 21.530 21.054 1.00 6.75 N ATOM 960 CA TYR A 61 16.560 20.635 20.369 1.00 7.79 C ATOM 961 C TYR A 61 16.395 20.768 18.857 1.00 7.89 C ATOM 962 O TYR A 61 15.303 20.660 18.318 1.00 8.58 O ATOM 963 CB TYR A 61 16.297 19.190 20.774 1.00 7.26 C ATOM 964 CG TYR A 61 16.311 19.008 22.273 1.00 7.59 C ATOM 965 CD1 TYR A 61 15.121 19.003 23.012 1.00 6.20 C ATOM 966 CD2 TYR A 61 17.517 18.861 22.969 1.00 7.34 C ATOM 967 CE1 TYR A 61 15.132 18.855 24.390 1.00 6.03 C ATOM 968 CE2 TYR A 61 17.534 18.706 24.358 1.00 7.20 C ATOM 969 CZ TYR A 61 16.336 18.710 25.054 1.00 7.57 C ATOM 970 OH TYR A 61 16.351 18.540 26.416 1.00 9.49 O ATOM 971 HA TYR A 61 17.576 20.911 20.652 1.00 0.00 H ATOM 972 HB3 TYR A 61 17.068 18.556 20.336 1.00 0.00 H ATOM 973 HB2 TYR A 61 15.321 18.890 20.392 1.00 0.00 H ATOM 974 HD2 TYR A 61 18.458 18.868 22.419 1.00 0.00 H ATOM 975 HE2 TYR A 61 18.479 18.583 24.888 1.00 0.00 H ATOM 976 HE1 TYR A 61 14.196 18.853 24.948 1.00 0.00 H ATOM 977 HD1 TYR A 61 14.169 19.118 22.494 1.00 0.00 H ATOM 978 HH TYR A 61 16.880 19.266 26.832 1.00 0.00 H ATOM 979 H TYR A 61 14.613 21.449 20.840 1.00 0.00 H ATOM 980 N LYS A 62 17.493 20.997 18.164 1.00 8.07 N ATOM 981 CA LYS A 62 17.436 21.161 16.723 1.00 8.30 C ATOM 982 C LYS A 62 17.313 19.821 16.035 1.00 7.55 C ATOM 983 O LYS A 62 18.024 18.883 16.358 1.00 7.73 O ATOM 984 CB LYS A 62 18.687 21.879 16.218 1.00 10.06 C ATOM 985 CG LYS A 62 18.647 22.172 14.723 1.00 17.08 C ATOM 986 CD LYS A 62 19.474 23.408 14.356 1.00 24.30 C ATOM 987 CE LYS A 62 18.772 24.709 14.775 1.00 28.63 C ATOM 988 NZ LYS A 62 19.649 25.930 14.664 1.00 33.02 N ATOM 989 HA LYS A 62 16.557 21.761 16.488 1.00 0.00 H ATOM 990 HB2 LYS A 62 18.786 22.823 16.754 1.00 0.00 H ATOM 991 HB3 LYS A 62 19.554 21.252 16.426 1.00 0.00 H ATOM 992 HG2 LYS A 62 19.044 21.311 14.185 1.00 0.00 H ATOM 993 HG3 LYS A 62 17.612 22.340 14.425 1.00 0.00 H ATOM 994 HD2 LYS A 62 20.439 23.349 14.859 1.00 0.00 H ATOM 995 HD3 LYS A 62 19.629 23.422 13.277 1.00 0.00 H ATOM 996 HE2 LYS A 62 18.450 24.609 15.811 1.00 0.00 H ATOM 997 HE3 LYS A 62 17.900 24.851 14.137 1.00 0.00 H ATOM 998 HZ1 LYS A 62 20.482 25.814 15.276 1.00 0.00 H ATOM 999 HZ2 LYS A 62 19.956 26.046 13.677 1.00 0.00 H ATOM 1000 HZ3 LYS A 62 19.112 26.769 14.962 1.00 0.00 H ATOM 1001 H LYS A 62 18.408 21.061 18.654 1.00 0.00 H ATOM 1002 N ILE A 63 16.372 19.737 15.114 1.00 7.36 N ATOM 1003 CA ILE A 63 16.187 18.527 14.324 1.00 8.40 C ATOM 1004 C ILE A 63 16.648 18.867 12.896 1.00 9.49 C ATOM 1005 O ILE A 63 16.172 19.830 12.274 1.00 8.75 O ATOM 1006 CB ILE A 63 14.732 18.081 14.263 1.00 8.51 C ATOM 1007 CG1 ILE A 63 14.217 17.680 15.647 1.00 7.05 C ATOM 1008 CG2 ILE A 63 14.576 16.939 13.276 1.00 9.74 C ATOM 1009 CD1 ILE A 63 12.698 17.436 15.673 1.00 6.32 C ATOM 1010 HA ILE A 63 16.753 17.715 14.780 1.00 0.00 H ATOM 1011 HB ILE A 63 14.130 18.923 13.920 1.00 0.00 H ATOM 1012 HG12 ILE A 63 14.722 16.764 15.954 1.00 0.00 H ATOM 1013 HG13 ILE A 63 14.454 18.478 16.351 1.00 0.00 H ATOM 1014 HD11 ILE A 63 12.180 18.348 15.377 1.00 0.00 H ATOM 1015 HD12 ILE A 63 12.448 16.633 14.980 1.00 0.00 H ATOM 1016 HD13 ILE A 63 12.394 17.155 16.681 1.00 0.00 H ATOM 1017 HG21 ILE A 63 14.890 17.270 12.286 1.00 0.00 H ATOM 1018 HG22 ILE A 63 15.195 16.099 13.593 1.00 0.00 H ATOM 1019 HG23 ILE A 63 13.531 16.630 13.242 1.00 0.00 H ATOM 1020 H ILE A 63 15.748 20.553 14.948 1.00 0.00 H ATOM 1021 N ARG A 64 17.587 18.074 12.401 1.00 10.63 N ATOM 1022 CA ARG A 64 18.129 18.223 11.059 1.00 13.14 C ATOM 1023 C ARG A 64 17.429 17.252 10.112 1.00 13.45 C ATOM 1024 O ARG A 64 16.996 16.162 10.510 1.00 11.07 O ATOM 1025 CB ARG A 64 19.638 17.927 11.072 1.00 15.20 C ATOM 1026 CG ARG A 64 20.473 18.793 12.062 1.00 22.42 C ATOM 1027 CD ARG A 64 20.468 20.295 11.708 1.00 32.88 C ATOM 1028 NE ARG A 64 20.153 20.574 10.292 1.00 41.66 N ATOM 1029 CZ ARG A 64 20.647 21.588 9.576 1.00 44.40 C ATOM 1030 NH1 ARG A 64 21.511 22.444 10.124 1.00 45.76 N ATOM 1031 NH2 ARG A 64 20.249 21.764 8.314 1.00 45.60 N ATOM 1032 HA ARG A 64 17.964 19.245 10.718 1.00 0.00 H ATOM 1033 HB2 ARG A 64 19.775 16.880 11.341 1.00 0.00 H ATOM 1034 HB3 ARG A 64 20.024 18.096 10.067 1.00 0.00 H ATOM 1035 HG2 ARG A 64 20.059 18.671 13.063 1.00 0.00 H ATOM 1036 HG3 ARG A 64 21.503 18.437 12.050 1.00 0.00 H ATOM 1037 HD2 ARG A 64 21.455 20.703 11.928 1.00 0.00 H ATOM 1038 HD3 ARG A 64 19.724 20.792 12.330 1.00 0.00 H ATOM 1039 HE ARG A 64 19.493 19.928 9.813 1.00 0.00 H ATOM 1040 HH12 ARG A 64 21.891 23.231 9.561 1.00 0.00 H ATOM 1041 HH11 ARG A 64 21.804 22.324 11.115 1.00 0.00 H ATOM 1042 HH22 ARG A 64 20.631 22.552 7.753 1.00 0.00 H ATOM 1043 HH21 ARG A 64 19.557 21.113 7.891 1.00 0.00 H ATOM 1044 H ARG A 64 17.954 17.308 13.001 1.00 0.00 H ATOM 1045 N LYS A 65 17.331 17.653 8.848 1.00 15.19 N ATOM 1046 CA LYS A 65 16.725 16.818 7.817 1.00 19.29 C ATOM 1047 C LYS A 65 17.747 16.801 6.682 1.00 22.24 C ATOM 1048 O LYS A 65 18.166 17.860 6.193 1.00 22.19 O ATOM 1049 CB LYS A 65 15.394 17.432 7.391 1.00 22.25 C ATOM 1050 CG LYS A 65 14.966 17.201 5.942 1.00 29.39 C ATOM 1051 CD LYS A 65 14.643 15.752 5.596 1.00 34.45 C ATOM 1052 CE LYS A 65 14.262 15.632 4.118 1.00 37.19 C ATOM 1053 NZ LYS A 65 14.336 14.210 3.661 1.00 40.57 N ATOM 1054 HA LYS A 65 16.501 15.804 8.149 1.00 0.00 H ATOM 1055 HB2 LYS A 65 14.618 17.019 8.035 1.00 0.00 H ATOM 1056 HB3 LYS A 65 15.461 18.508 7.549 1.00 0.00 H ATOM 1057 HG2 LYS A 65 14.077 17.802 5.750 1.00 0.00 H ATOM 1058 HG3 LYS A 65 15.775 17.533 5.292 1.00 0.00 H ATOM 1059 HD2 LYS A 65 15.517 15.131 5.794 1.00 0.00 H ATOM 1060 HD3 LYS A 65 13.810 15.412 6.211 1.00 0.00 H ATOM 1061 HE2 LYS A 65 14.948 16.235 3.522 1.00 0.00 H ATOM 1062 HE3 LYS A 65 13.245 15.999 3.981 1.00 0.00 H ATOM 1063 HZ1 LYS A 65 15.306 13.857 3.786 1.00 0.00 H ATOM 1064 HZ2 LYS A 65 13.680 13.632 4.224 1.00 0.00 H ATOM 1065 HZ3 LYS A 65 14.073 14.156 2.656 1.00 0.00 H ATOM 1066 H LYS A 65 17.698 18.590 8.587 1.00 0.00 H ATOM 1067 N LEU A 66 18.235 15.617 6.346 1.00 24.35 N ATOM 1068 CA LEU A 66 19.206 15.476 5.264 1.00 27.68 C ATOM 1069 C LEU A 66 18.474 15.363 3.929 1.00 29.81 C ATOM 1070 O LEU A 66 17.343 14.892 3.885 1.00 29.24 O ATOM 1071 CB LEU A 66 20.020 14.218 5.487 1.00 26.64 C ATOM 1072 CG LEU A 66 20.833 14.110 6.766 1.00 28.06 C ATOM 1073 CD1 LEU A 66 21.319 12.698 6.895 1.00 29.83 C ATOM 1074 CD2 LEU A 66 22.014 15.071 6.761 1.00 29.75 C ATOM 1075 HA LEU A 66 19.861 16.347 5.249 1.00 0.00 H ATOM 1076 HB2 LEU A 66 19.327 13.377 5.471 1.00 0.00 H ATOM 1077 HB3 LEU A 66 20.716 14.130 4.652 1.00 0.00 H ATOM 1078 HG LEU A 66 20.202 14.378 7.614 1.00 0.00 H ATOM 1079 HD21 LEU A 66 22.665 14.840 5.918 1.00 0.00 H ATOM 1080 HD22 LEU A 66 21.648 16.094 6.670 1.00 0.00 H ATOM 1081 HD23 LEU A 66 22.571 14.965 7.692 1.00 0.00 H ATOM 1082 HD11 LEU A 66 20.464 12.023 6.936 1.00 0.00 H ATOM 1083 HD12 LEU A 66 21.939 12.449 6.034 1.00 0.00 H ATOM 1084 HD13 LEU A 66 21.906 12.599 7.808 1.00 0.00 H ATOM 1085 H LEU A 66 17.921 14.771 6.863 1.00 0.00 H ATOM 1086 N ASP A 67 19.106 15.794 2.839 1.00 32.72 N ATOM 1087 CA ASP A 67 18.475 15.659 1.520 1.00 35.53 C ATOM 1088 C ASP A 67 18.477 14.162 1.201 1.00 35.78 C ATOM 1089 O ASP A 67 17.641 13.663 0.451 1.00 36.87 O ATOM 1090 CB ASP A 67 19.254 16.439 0.465 1.00 40.81 C ATOM 1091 CG ASP A 67 19.258 17.926 0.742 1.00 48.77 C ATOM 1092 OD1 ASP A 67 18.211 18.586 0.528 1.00 54.79 O ATOM 1093 OD2 ASP A 67 20.307 18.434 1.197 1.00 55.05 O ATOM 1094 HA ASP A 67 17.462 16.062 1.522 1.00 0.00 H ATOM 1095 HB2 ASP A 67 20.283 16.081 0.452 1.00 0.00 H ATOM 1096 HB3 ASP A 67 18.798 16.264 -0.509 1.00 0.00 H ATOM 1097 H ASP A 67 20.048 16.227 2.922 1.00 0.00 H ATOM 1098 N SER A 68 19.421 13.464 1.828 1.00 35.84 N ATOM 1099 CA SER A 68 19.582 12.019 1.718 1.00 35.90 C ATOM 1100 C SER A 68 18.395 11.307 2.401 1.00 34.59 C ATOM 1101 O SER A 68 18.304 10.069 2.383 1.00 35.31 O ATOM 1102 CB SER A 68 20.893 11.624 2.384 1.00 38.91 C ATOM 1103 OG SER A 68 21.796 12.721 2.276 1.00 43.51 O ATOM 1104 HA SER A 68 19.602 11.722 0.669 1.00 0.00 H ATOM 1105 HB2 SER A 68 21.312 10.750 1.885 1.00 0.00 H ATOM 1106 HB3 SER A 68 20.718 11.392 3.435 1.00 0.00 H ATOM 1107 HG SER A 68 22.656 12.482 2.704 1.00 0.00 H ATOM 1108 H SER A 68 20.087 13.983 2.436 1.00 0.00 H ATOM 1109 N GLY A 69 17.576 12.079 3.120 1.00 32.27 N ATOM 1110 CA GLY A 69 16.385 11.523 3.723 1.00 28.69 C ATOM 1111 C GLY A 69 16.151 11.451 5.212 1.00 26.04 C ATOM 1112 O GLY A 69 15.003 11.534 5.642 1.00 27.29 O ATOM 1113 HA3 GLY A 69 16.323 10.496 3.363 1.00 0.00 H ATOM 1114 HA2 GLY A 69 15.552 12.099 3.320 1.00 0.00 H ATOM 1115 H GLY A 69 17.796 13.087 3.247 1.00 0.00 H ATOM 1116 N GLY A 70 17.200 11.329 6.010 1.00 23.52 N ATOM 1117 CA GLY A 70 16.972 11.187 7.438 1.00 19.23 C ATOM 1118 C GLY A 70 16.733 12.418 8.280 1.00 16.37 C ATOM 1119 O GLY A 70 17.246 13.494 7.973 1.00 15.32 O ATOM 1120 HA3 GLY A 70 17.847 10.686 7.851 1.00 0.00 H ATOM 1121 HA2 GLY A 70 16.098 10.547 7.557 1.00 0.00 H ATOM 1122 H GLY A 70 18.166 11.335 5.624 1.00 0.00 H ATOM 1123 N PHE A 71 15.944 12.226 9.341 1.00 12.95 N ATOM 1124 CA PHE A 71 15.631 13.260 10.339 1.00 10.47 C ATOM 1125 C PHE A 71 16.370 12.833 11.608 1.00 8.76 C ATOM 1126 O PHE A 71 16.360 11.650 11.944 1.00 7.84 O ATOM 1127 CB PHE A 71 14.136 13.297 10.671 1.00 10.17 C ATOM 1128 CG PHE A 71 13.280 13.850 9.566 1.00 12.11 C ATOM 1129 CD1 PHE A 71 12.836 13.027 8.532 1.00 11.68 C ATOM 1130 CD2 PHE A 71 12.896 15.192 9.574 1.00 11.85 C ATOM 1131 CE1 PHE A 71 12.014 13.539 7.521 1.00 13.92 C ATOM 1132 CE2 PHE A 71 12.076 15.705 8.567 1.00 14.12 C ATOM 1133 CZ PHE A 71 11.639 14.876 7.544 1.00 13.55 C ATOM 1134 HA PHE A 71 15.918 14.242 9.962 1.00 0.00 H ATOM 1135 HB2 PHE A 71 13.806 12.280 10.885 1.00 0.00 H ATOM 1136 HB3 PHE A 71 13.996 13.917 11.557 1.00 0.00 H ATOM 1137 HD2 PHE A 71 13.240 15.846 10.375 1.00 0.00 H ATOM 1138 HE2 PHE A 71 11.780 16.754 8.585 1.00 0.00 H ATOM 1139 HZ PHE A 71 11.000 15.275 6.756 1.00 0.00 H ATOM 1140 HE1 PHE A 71 11.669 12.889 6.717 1.00 0.00 H ATOM 1141 HD1 PHE A 71 13.131 11.978 8.511 1.00 0.00 H ATOM 1142 H PHE A 71 15.524 11.284 9.470 1.00 0.00 H ATOM 1143 N TYR A 72 16.995 13.774 12.318 1.00 7.60 N ATOM 1144 CA TYR A 72 17.692 13.411 13.545 1.00 7.60 C ATOM 1145 C TYR A 72 18.057 14.609 14.390 1.00 7.19 C ATOM 1146 O TYR A 72 18.080 15.735 13.900 1.00 7.29 O ATOM 1147 CB TYR A 72 18.989 12.659 13.212 1.00 8.16 C ATOM 1148 CG TYR A 72 20.000 13.469 12.452 1.00 10.02 C ATOM 1149 CD1 TYR A 72 20.910 14.315 13.109 1.00 11.32 C ATOM 1150 CD2 TYR A 72 20.030 13.428 11.070 1.00 13.82 C ATOM 1151 CE1 TYR A 72 21.830 15.092 12.404 1.00 12.28 C ATOM 1152 CE2 TYR A 72 20.943 14.198 10.357 1.00 18.19 C ATOM 1153 CZ TYR A 72 21.826 15.029 11.025 1.00 16.04 C ATOM 1154 OH TYR A 72 22.669 15.795 10.285 1.00 21.94 O ATOM 1155 HA TYR A 72 17.003 12.785 14.111 1.00 0.00 H ATOM 1156 HB3 TYR A 72 18.732 11.785 12.613 1.00 0.00 H ATOM 1157 HB2 TYR A 72 19.445 12.335 14.148 1.00 0.00 H ATOM 1158 HD2 TYR A 72 19.331 12.786 10.534 1.00 0.00 H ATOM 1159 HE2 TYR A 72 20.963 14.147 9.268 1.00 0.00 H ATOM 1160 HE1 TYR A 72 22.536 15.734 12.930 1.00 0.00 H ATOM 1161 HD1 TYR A 72 20.897 14.365 14.198 1.00 0.00 H ATOM 1162 HH TYR A 72 23.239 16.335 10.889 1.00 0.00 H ATOM 1163 H TYR A 72 16.985 14.763 11.997 1.00 0.00 H ATOM 1164 N ILE A 73 18.304 14.350 15.671 1.00 8.05 N ATOM 1165 CA ILE A 73 18.801 15.367 16.598 1.00 8.09 C ATOM 1166 C ILE A 73 20.301 15.036 16.662 1.00 8.57 C ATOM 1167 O ILE A 73 21.144 15.942 16.555 1.00 9.61 O ATOM 1168 CB ILE A 73 18.140 15.283 17.974 1.00 9.27 C ATOM 1169 CG1 ILE A 73 16.654 15.616 17.839 1.00 8.42 C ATOM 1170 CG2 ILE A 73 18.837 16.269 18.972 1.00 9.35 C ATOM 1171 CD1 ILE A 73 15.881 15.551 19.150 1.00 8.10 C ATOM 1172 HA ILE A 73 18.586 16.385 16.273 1.00 0.00 H ATOM 1173 HB ILE A 73 18.246 14.272 18.368 1.00 0.00 H ATOM 1174 HG12 ILE A 73 16.564 16.625 17.438 1.00 0.00 H ATOM 1175 HG13 ILE A 73 16.206 14.908 17.142 1.00 0.00 H ATOM 1176 HD11 ILE A 73 15.949 14.544 19.561 1.00 0.00 H ATOM 1177 HD12 ILE A 73 16.307 16.263 19.857 1.00 0.00 H ATOM 1178 HD13 ILE A 73 14.836 15.800 18.967 1.00 0.00 H ATOM 1179 HG21 ILE A 73 19.890 16.005 19.065 1.00 0.00 H ATOM 1180 HG22 ILE A 73 18.749 17.288 18.595 1.00 0.00 H ATOM 1181 HG23 ILE A 73 18.355 16.198 19.947 1.00 0.00 H ATOM 1182 H ILE A 73 18.137 13.387 16.028 1.00 0.00 H ATOM 1183 N THR A 74 20.627 13.753 16.876 1.00 8.05 N ATOM 1184 CA THR A 74 22.022 13.297 16.853 1.00 8.93 C ATOM 1185 C THR A 74 22.175 12.446 15.579 1.00 9.57 C ATOM 1186 O THR A 74 21.311 11.613 15.256 1.00 8.98 O ATOM 1187 CB THR A 74 22.462 12.493 18.098 1.00 8.27 C ATOM 1188 OG1 THR A 74 23.790 11.982 17.880 1.00 10.86 O ATOM 1189 CG2 THR A 74 21.519 11.339 18.391 1.00 9.88 C ATOM 1190 HA THR A 74 22.672 14.172 16.860 1.00 0.00 H ATOM 1191 HB THR A 74 22.443 13.163 18.958 1.00 0.00 H ATOM 1192 HG1 THR A 74 24.078 11.466 18.674 1.00 0.00 H ATOM 1193 HG23 THR A 74 20.513 11.726 18.556 1.00 0.00 H ATOM 1194 HG21 THR A 74 21.511 10.654 17.544 1.00 0.00 H ATOM 1195 HG22 THR A 74 21.858 10.812 19.283 1.00 0.00 H ATOM 1196 H THR A 74 19.872 13.063 17.063 1.00 0.00 H ATOM 1197 N SER A 75 23.253 12.675 14.829 1.00 10.19 N ATOM 1198 CA SER A 75 23.472 11.963 13.581 1.00 10.70 C ATOM 1199 C SER A 75 23.538 10.457 13.787 1.00 10.89 C ATOM 1200 O SER A 75 23.302 9.706 12.853 1.00 10.87 O ATOM 1201 CB SER A 75 24.764 12.453 12.913 1.00 14.56 C ATOM 1202 OG SER A 75 25.890 12.177 13.755 1.00 15.34 O ATOM 1203 HA SER A 75 22.621 12.172 12.933 1.00 0.00 H ATOM 1204 HB2 SER A 75 24.696 13.527 12.742 1.00 0.00 H ATOM 1205 HB3 SER A 75 24.893 11.942 11.959 1.00 0.00 H ATOM 1206 HG SER A 75 25.954 11.201 13.910 1.00 0.00 H ATOM 1207 H SER A 75 23.952 13.378 15.144 1.00 0.00 H ATOM 1208 N ARG A 76 23.865 10.020 15.006 1.00 11.54 N ATOM 1209 CA ARG A 76 23.959 8.587 15.305 1.00 12.22 C ATOM 1210 C ARG A 76 22.593 7.889 15.320 1.00 12.51 C ATOM 1211 O ARG A 76 22.521 6.656 15.177 1.00 13.48 O ATOM 1212 CB ARG A 76 24.586 8.373 16.685 1.00 15.26 C ATOM 1213 CG ARG A 76 26.033 8.829 16.818 1.00 25.52 C ATOM 1214 CD ARG A 76 26.991 7.778 16.285 1.00 36.22 C ATOM 1215 NE ARG A 76 26.896 6.544 17.070 1.00 43.63 N ATOM 1216 CZ ARG A 76 27.817 6.126 17.936 1.00 46.99 C ATOM 1217 NH1 ARG A 76 28.934 6.824 18.139 1.00 47.07 N ATOM 1218 NH2 ARG A 76 27.574 5.045 18.665 1.00 51.27 N ATOM 1219 HA ARG A 76 24.571 8.158 14.511 1.00 0.00 H ATOM 1220 HB2 ARG A 76 23.991 8.922 17.415 1.00 0.00 H ATOM 1221 HB3 ARG A 76 24.546 7.308 16.912 1.00 0.00 H ATOM 1222 HG2 ARG A 76 26.168 9.752 16.255 1.00 0.00 H ATOM 1223 HG3 ARG A 76 26.254 9.011 17.870 1.00 0.00 H ATOM 1224 HD2 ARG A 76 28.010 8.161 16.342 1.00 0.00 H ATOM 1225 HD3 ARG A 76 26.743 7.561 15.246 1.00 0.00 H ATOM 1226 HE ARG A 76 26.050 5.953 16.942 1.00 0.00 H ATOM 1227 HH12 ARG A 76 29.643 6.484 18.819 1.00 0.00 H ATOM 1228 HH11 ARG A 76 29.096 7.709 17.617 1.00 0.00 H ATOM 1229 HH22 ARG A 76 28.284 4.706 19.346 1.00 0.00 H ATOM 1230 HH21 ARG A 76 26.674 4.536 18.556 1.00 0.00 H ATOM 1231 H ARG A 76 24.057 10.711 15.759 1.00 0.00 H ATOM 1232 N THR A 77 21.520 8.675 15.441 1.00 10.26 N ATOM 1233 CA THR A 77 20.169 8.124 15.605 1.00 9.68 C ATOM 1234 C THR A 77 19.193 8.846 14.696 1.00 8.95 C ATOM 1235 O THR A 77 18.617 9.863 15.072 1.00 9.40 O ATOM 1236 CB THR A 77 19.815 8.290 17.107 1.00 9.80 C ATOM 1237 OG1 THR A 77 20.901 7.738 17.875 1.00 10.13 O ATOM 1238 CG2 THR A 77 18.457 7.671 17.501 1.00 6.31 C ATOM 1239 HA THR A 77 20.116 7.072 15.323 1.00 0.00 H ATOM 1240 HB THR A 77 19.693 9.352 17.321 1.00 0.00 H ATOM 1241 HG1 THR A 77 20.702 7.831 18.840 1.00 0.00 H ATOM 1242 HG23 THR A 77 17.667 8.117 16.897 1.00 0.00 H ATOM 1243 HG21 THR A 77 18.486 6.595 17.328 1.00 0.00 H ATOM 1244 HG22 THR A 77 18.263 7.865 18.556 1.00 0.00 H ATOM 1245 H THR A 77 21.645 9.707 15.418 1.00 0.00 H ATOM 1246 N GLN A 78 19.030 8.302 13.492 1.00 8.36 N ATOM 1247 CA GLN A 78 18.193 8.899 12.447 1.00 9.11 C ATOM 1248 C GLN A 78 16.894 8.152 12.191 1.00 9.12 C ATOM 1249 O GLN A 78 16.799 6.934 12.465 1.00 9.36 O ATOM 1250 CB GLN A 78 18.990 8.973 11.170 1.00 9.07 C ATOM 1251 CG GLN A 78 20.369 9.568 11.394 1.00 12.34 C ATOM 1252 CD GLN A 78 21.067 9.971 10.092 1.00 17.34 C ATOM 1253 OE1 GLN A 78 22.254 10.301 10.108 1.00 20.45 O ATOM 1254 NE2 GLN A 78 20.332 9.994 8.977 1.00 13.22 N ATOM 1255 HA GLN A 78 17.907 9.890 12.800 1.00 0.00 H ATOM 1256 HB2 GLN A 78 19.102 7.967 10.766 1.00 0.00 H ATOM 1257 HB3 GLN A 78 18.451 9.593 10.454 1.00 0.00 H ATOM 1258 HG2 GLN A 78 20.268 10.453 12.022 1.00 0.00 H ATOM 1259 HG3 GLN A 78 20.987 8.830 11.905 1.00 0.00 H ATOM 1260 HE22 GLN A 78 19.333 9.707 9.007 1.00 0.00 H ATOM 1261 HE21 GLN A 78 20.759 10.299 8.079 1.00 0.00 H ATOM 1262 H GLN A 78 19.521 7.409 13.282 1.00 0.00 H ATOM 1263 N PHE A 79 15.930 8.867 11.613 1.00 8.35 N ATOM 1264 CA PHE A 79 14.600 8.334 11.324 1.00 10.11 C ATOM 1265 C PHE A 79 14.153 8.680 9.900 1.00 11.04 C ATOM 1266 O PHE A 79 14.553 9.712 9.343 1.00 11.22 O ATOM 1267 CB PHE A 79 13.603 8.882 12.345 1.00 10.11 C ATOM 1268 CG PHE A 79 13.993 8.572 13.755 1.00 9.05 C ATOM 1269 CD1 PHE A 79 14.800 9.450 14.472 1.00 9.50 C ATOM 1270 CD2 PHE A 79 13.686 7.340 14.323 1.00 8.20 C ATOM 1271 CE1 PHE A 79 15.297 9.116 15.734 1.00 6.96 C ATOM 1272 CE2 PHE A 79 14.181 6.987 15.587 1.00 9.26 C ATOM 1273 CZ PHE A 79 14.993 7.882 16.287 1.00 8.73 C ATOM 1274 HA PHE A 79 14.639 7.247 11.397 1.00 0.00 H ATOM 1275 HB2 PHE A 79 13.544 9.964 12.229 1.00 0.00 H ATOM 1276 HB3 PHE A 79 12.625 8.443 12.149 1.00 0.00 H ATOM 1277 HD2 PHE A 79 13.052 6.640 13.779 1.00 0.00 H ATOM 1278 HE2 PHE A 79 13.933 6.018 16.021 1.00 0.00 H ATOM 1279 HZ PHE A 79 15.387 7.611 17.266 1.00 0.00 H ATOM 1280 HE1 PHE A 79 15.921 9.823 16.281 1.00 0.00 H ATOM 1281 HD1 PHE A 79 15.050 10.419 14.040 1.00 0.00 H ATOM 1282 H PHE A 79 16.134 9.854 11.355 1.00 0.00 H ATOM 1283 N ASN A 80 13.294 7.836 9.340 1.00 11.26 N ATOM 1284 CA ASN A 80 12.832 8.043 7.988 1.00 12.40 C ATOM 1285 C ASN A 80 11.775 9.146 7.911 1.00 13.04 C ATOM 1286 O ASN A 80 11.462 9.624 6.825 1.00 14.15 O ATOM 1287 CB ASN A 80 12.342 6.721 7.374 1.00 14.58 C ATOM 1288 CG ASN A 80 13.464 5.671 7.259 1.00 17.51 C ATOM 1289 OD1 ASN A 80 14.629 6.012 7.043 1.00 19.05 O ATOM 1290 ND2 ASN A 80 13.115 4.393 7.424 1.00 17.15 N ATOM 1291 HA ASN A 80 13.677 8.388 7.392 1.00 0.00 H ATOM 1292 HB2 ASN A 80 11.548 6.317 8.002 1.00 0.00 H ATOM 1293 HB3 ASN A 80 11.948 6.923 6.378 1.00 0.00 H ATOM 1294 HD22 ASN A 80 12.121 4.144 7.605 1.00 0.00 H ATOM 1295 HD21 ASN A 80 13.837 3.646 7.372 1.00 0.00 H ATOM 1296 H ASN A 80 12.950 7.017 9.881 1.00 0.00 H ATOM 1297 N SER A 81 11.261 9.586 9.061 1.00 11.45 N ATOM 1298 CA SER A 81 10.262 10.655 9.097 1.00 11.44 C ATOM 1299 C SER A 81 10.289 11.338 10.459 1.00 11.50 C ATOM 1300 O SER A 81 10.740 10.764 11.460 1.00 11.81 O ATOM 1301 CB SER A 81 8.863 10.088 8.874 1.00 10.31 C ATOM 1302 OG SER A 81 8.495 9.255 9.973 1.00 10.39 O ATOM 1303 HA SER A 81 10.498 11.369 8.308 1.00 0.00 H ATOM 1304 HB2 SER A 81 8.853 9.501 7.956 1.00 0.00 H ATOM 1305 HB3 SER A 81 8.150 10.908 8.787 1.00 0.00 H ATOM 1306 HG SER A 81 9.141 8.509 10.051 1.00 0.00 H ATOM 1307 H SER A 81 11.578 9.159 9.954 1.00 0.00 H ATOM 1308 N LEU A 82 9.738 12.536 10.510 1.00 11.05 N ATOM 1309 CA LEU A 82 9.661 13.301 11.734 1.00 11.00 C ATOM 1310 C LEU A 82 8.727 12.545 12.699 1.00 10.75 C ATOM 1311 O LEU A 82 8.944 12.505 13.918 1.00 11.07 O ATOM 1312 CB LEU A 82 9.098 14.675 11.385 1.00 12.89 C ATOM 1313 CG LEU A 82 9.329 15.874 12.289 1.00 18.26 C ATOM 1314 CD1 LEU A 82 10.790 15.964 12.738 1.00 17.50 C ATOM 1315 CD2 LEU A 82 8.926 17.119 11.491 1.00 18.90 C ATOM 1316 HA LEU A 82 10.634 13.427 12.208 1.00 0.00 H ATOM 1317 HB2 LEU A 82 9.509 14.939 10.411 1.00 0.00 H ATOM 1318 HB3 LEU A 82 8.018 14.554 11.302 1.00 0.00 H ATOM 1319 HG LEU A 82 8.733 15.784 13.197 1.00 0.00 H ATOM 1320 HD21 LEU A 82 9.540 17.188 10.593 1.00 0.00 H ATOM 1321 HD22 LEU A 82 7.876 17.044 11.209 1.00 0.00 H ATOM 1322 HD23 LEU A 82 9.077 18.007 12.105 1.00 0.00 H ATOM 1323 HD11 LEU A 82 11.056 15.061 13.287 1.00 0.00 H ATOM 1324 HD12 LEU A 82 11.432 16.062 11.863 1.00 0.00 H ATOM 1325 HD13 LEU A 82 10.918 16.833 13.383 1.00 0.00 H ATOM 1326 H LEU A 82 9.345 12.944 9.638 1.00 0.00 H ATOM 1327 N GLN A 83 7.703 11.919 12.136 1.00 10.31 N ATOM 1328 CA GLN A 83 6.745 11.140 12.911 1.00 11.00 C ATOM 1329 C GLN A 83 7.444 9.996 13.679 1.00 10.91 C ATOM 1330 O GLN A 83 7.160 9.729 14.863 1.00 9.92 O ATOM 1331 CB GLN A 83 5.668 10.584 11.972 1.00 13.62 C ATOM 1332 CG GLN A 83 4.781 11.688 11.334 1.00 20.76 C ATOM 1333 CD GLN A 83 5.313 12.398 10.041 1.00 23.36 C ATOM 1334 OE1 GLN A 83 4.572 13.158 9.401 1.00 29.92 O ATOM 1335 NE2 GLN A 83 6.535 12.134 9.651 1.00 18.85 N ATOM 1336 HA GLN A 83 6.279 11.791 13.651 1.00 0.00 H ATOM 1337 HB2 GLN A 83 6.159 10.029 11.173 1.00 0.00 H ATOM 1338 HB3 GLN A 83 5.027 9.910 12.540 1.00 0.00 H ATOM 1339 HG2 GLN A 83 3.823 11.232 11.084 1.00 0.00 H ATOM 1340 HG3 GLN A 83 4.628 12.459 12.089 1.00 0.00 H ATOM 1341 HE22 GLN A 83 7.132 11.492 10.210 1.00 0.00 H ATOM 1342 HE21 GLN A 83 6.908 12.567 8.782 1.00 0.00 H ATOM 1343 H GLN A 83 7.579 11.986 11.106 1.00 0.00 H ATOM 1344 N GLN A 84 8.341 9.300 12.982 1.00 10.21 N ATOM 1345 CA GLN A 84 9.087 8.205 13.598 1.00 9.67 C ATOM 1346 C GLN A 84 10.042 8.731 14.660 1.00 8.23 C ATOM 1347 O GLN A 84 10.236 8.094 15.698 1.00 8.85 O ATOM 1348 CB GLN A 84 9.822 7.400 12.529 1.00 10.86 C ATOM 1349 CG GLN A 84 8.853 6.508 11.757 1.00 11.59 C ATOM 1350 CD GLN A 84 9.417 6.037 10.432 1.00 14.03 C ATOM 1351 OE1 GLN A 84 9.886 6.844 9.621 1.00 14.31 O ATOM 1352 NE2 GLN A 84 9.348 4.726 10.189 1.00 13.80 N ATOM 1353 HA GLN A 84 8.384 7.538 14.096 1.00 0.00 H ATOM 1354 HB2 GLN A 84 10.306 8.087 11.835 1.00 0.00 H ATOM 1355 HB3 GLN A 84 10.577 6.777 13.008 1.00 0.00 H ATOM 1356 HG2 GLN A 84 8.621 5.635 12.367 1.00 0.00 H ATOM 1357 HG3 GLN A 84 7.938 7.070 11.567 1.00 0.00 H ATOM 1358 HE22 GLN A 84 8.945 4.085 10.902 1.00 0.00 H ATOM 1359 HE21 GLN A 84 9.697 4.345 9.286 1.00 0.00 H ATOM 1360 H GLN A 84 8.513 9.540 11.985 1.00 0.00 H ATOM 1361 N LEU A 85 10.597 9.919 14.421 1.00 8.40 N ATOM 1362 CA LEU A 85 11.502 10.543 15.394 1.00 7.31 C ATOM 1363 C LEU A 85 10.705 10.847 16.650 1.00 6.94 C ATOM 1364 O LEU A 85 11.123 10.522 17.762 1.00 7.16 O ATOM 1365 CB LEU A 85 12.151 11.822 14.829 1.00 6.60 C ATOM 1366 CG LEU A 85 13.139 12.548 15.769 1.00 7.80 C ATOM 1367 CD1 LEU A 85 14.177 13.305 14.968 1.00 6.74 C ATOM 1368 CD2 LEU A 85 12.421 13.490 16.735 1.00 6.29 C ATOM 1369 HA LEU A 85 12.318 9.858 15.623 1.00 0.00 H ATOM 1370 HB2 LEU A 85 12.691 11.550 13.922 1.00 0.00 H ATOM 1371 HB3 LEU A 85 11.352 12.520 14.580 1.00 0.00 H ATOM 1372 HG LEU A 85 13.639 11.785 16.366 1.00 0.00 H ATOM 1373 HD21 LEU A 85 11.874 14.243 16.167 1.00 0.00 H ATOM 1374 HD22 LEU A 85 11.724 12.918 17.348 1.00 0.00 H ATOM 1375 HD23 LEU A 85 13.154 13.979 17.376 1.00 0.00 H ATOM 1376 HD11 LEU A 85 14.732 12.606 14.343 1.00 0.00 H ATOM 1377 HD12 LEU A 85 13.681 14.043 14.338 1.00 0.00 H ATOM 1378 HD13 LEU A 85 14.863 13.809 15.649 1.00 0.00 H ATOM 1379 H LEU A 85 10.385 10.412 13.530 1.00 0.00 H ATOM 1380 N VAL A 86 9.522 11.425 16.471 1.00 7.57 N ATOM 1381 CA VAL A 86 8.691 11.753 17.629 1.00 7.81 C ATOM 1382 C VAL A 86 8.285 10.485 18.392 1.00 7.78 C ATOM 1383 O VAL A 86 8.364 10.437 19.629 1.00 8.02 O ATOM 1384 CB VAL A 86 7.472 12.602 17.196 1.00 7.95 C ATOM 1385 CG1 VAL A 86 6.421 12.661 18.310 1.00 9.42 C ATOM 1386 CG2 VAL A 86 7.936 13.997 16.890 1.00 8.69 C ATOM 1387 HA VAL A 86 9.275 12.359 18.322 1.00 0.00 H ATOM 1388 HB VAL A 86 7.021 12.143 16.316 1.00 0.00 H ATOM 1389 HG11 VAL A 86 6.081 11.651 18.541 1.00 0.00 H ATOM 1390 HG12 VAL A 86 6.862 13.109 19.200 1.00 0.00 H ATOM 1391 HG13 VAL A 86 5.576 13.264 17.979 1.00 0.00 H ATOM 1392 HG21 VAL A 86 8.391 14.431 17.781 1.00 0.00 H ATOM 1393 HG22 VAL A 86 8.670 13.966 16.084 1.00 0.00 H ATOM 1394 HG23 VAL A 86 7.083 14.603 16.584 1.00 0.00 H ATOM 1395 H VAL A 86 9.188 11.643 15.511 1.00 0.00 H ATOM 1396 N ALA A 87 7.907 9.441 17.657 1.00 7.78 N ATOM 1397 CA ALA A 87 7.503 8.205 18.313 1.00 8.15 C ATOM 1398 C ALA A 87 8.667 7.599 19.137 1.00 8.38 C ATOM 1399 O ALA A 87 8.477 7.092 20.258 1.00 9.34 O ATOM 1400 CB ALA A 87 6.976 7.204 17.291 1.00 7.73 C ATOM 1401 HA ALA A 87 6.697 8.440 19.008 1.00 0.00 H ATOM 1402 HB1 ALA A 87 6.114 7.630 16.778 1.00 0.00 H ATOM 1403 HB2 ALA A 87 7.759 6.981 16.566 1.00 0.00 H ATOM 1404 HB3 ALA A 87 6.680 6.288 17.801 1.00 0.00 H ATOM 1405 H ALA A 87 7.900 9.508 16.619 1.00 0.00 H ATOM 1406 N TYR A 88 9.878 7.672 18.595 1.00 7.65 N ATOM 1407 CA TYR A 88 11.053 7.129 19.293 1.00 6.68 C ATOM 1408 C TYR A 88 11.311 7.861 20.613 1.00 5.99 C ATOM 1409 O TYR A 88 11.496 7.239 21.669 1.00 7.84 O ATOM 1410 CB TYR A 88 12.272 7.235 18.379 1.00 5.72 C ATOM 1411 CG TYR A 88 13.557 6.825 19.041 1.00 7.72 C ATOM 1412 CD1 TYR A 88 14.011 5.498 18.991 1.00 9.29 C ATOM 1413 CD2 TYR A 88 14.336 7.763 19.714 1.00 7.74 C ATOM 1414 CE1 TYR A 88 15.232 5.122 19.611 1.00 8.58 C ATOM 1415 CE2 TYR A 88 15.547 7.398 20.343 1.00 8.72 C ATOM 1416 CZ TYR A 88 15.992 6.077 20.287 1.00 10.08 C ATOM 1417 OH TYR A 88 17.180 5.720 20.904 1.00 10.63 O ATOM 1418 HA TYR A 88 10.862 6.083 19.534 1.00 0.00 H ATOM 1419 HB3 TYR A 88 12.368 8.270 18.051 1.00 0.00 H ATOM 1420 HB2 TYR A 88 12.110 6.594 17.513 1.00 0.00 H ATOM 1421 HD2 TYR A 88 14.004 8.800 19.756 1.00 0.00 H ATOM 1422 HE2 TYR A 88 16.134 8.149 20.872 1.00 0.00 H ATOM 1423 HE1 TYR A 88 15.575 4.089 19.559 1.00 0.00 H ATOM 1424 HD1 TYR A 88 13.419 4.746 18.469 1.00 0.00 H ATOM 1425 HH TYR A 88 17.118 5.912 21.873 1.00 0.00 H ATOM 1426 H TYR A 88 9.997 8.120 17.664 1.00 0.00 H ATOM 1427 N TYR A 89 11.333 9.191 20.544 1.00 6.55 N ATOM 1428 CA TYR A 89 11.591 9.995 21.743 1.00 7.03 C ATOM 1429 C TYR A 89 10.444 10.011 22.752 1.00 7.31 C ATOM 1430 O TYR A 89 10.582 10.571 23.833 1.00 7.98 O ATOM 1431 CB TYR A 89 12.112 11.395 21.385 1.00 7.34 C ATOM 1432 CG TYR A 89 13.525 11.339 20.820 1.00 6.09 C ATOM 1433 CD1 TYR A 89 13.782 11.587 19.455 1.00 7.02 C ATOM 1434 CD2 TYR A 89 14.608 11.024 21.649 1.00 6.44 C ATOM 1435 CE1 TYR A 89 15.084 11.527 18.939 1.00 5.05 C ATOM 1436 CE2 TYR A 89 15.904 10.959 21.143 1.00 6.63 C ATOM 1437 CZ TYR A 89 16.132 11.212 19.788 1.00 7.75 C ATOM 1438 OH TYR A 89 17.419 11.138 19.290 1.00 8.57 O ATOM 1439 HA TYR A 89 12.393 9.485 22.276 1.00 0.00 H ATOM 1440 HB3 TYR A 89 12.114 12.013 22.283 1.00 0.00 H ATOM 1441 HB2 TYR A 89 11.451 11.840 20.641 1.00 0.00 H ATOM 1442 HD2 TYR A 89 14.434 10.827 22.707 1.00 0.00 H ATOM 1443 HE2 TYR A 89 16.737 10.712 21.801 1.00 0.00 H ATOM 1444 HE1 TYR A 89 15.269 11.726 17.883 1.00 0.00 H ATOM 1445 HD1 TYR A 89 12.953 11.830 18.790 1.00 0.00 H ATOM 1446 HH TYR A 89 17.409 11.343 18.321 1.00 0.00 H ATOM 1447 H TYR A 89 11.166 9.663 19.633 1.00 0.00 H ATOM 1448 N SER A 90 9.317 9.390 22.393 1.00 8.58 N ATOM 1449 CA SER A 90 8.197 9.268 23.326 1.00 9.58 C ATOM 1450 C SER A 90 8.458 8.037 24.184 1.00 11.69 C ATOM 1451 O SER A 90 7.787 7.834 25.203 1.00 13.50 O ATOM 1452 CB SER A 90 6.892 9.109 22.579 1.00 9.00 C ATOM 1453 OG SER A 90 6.616 10.275 21.833 1.00 10.84 O ATOM 1454 HA SER A 90 8.117 10.165 23.940 1.00 0.00 H ATOM 1455 HB2 SER A 90 6.086 8.938 23.293 1.00 0.00 H ATOM 1456 HB3 SER A 90 6.964 8.257 21.903 1.00 0.00 H ATOM 1457 HG SER A 90 7.347 10.430 21.183 1.00 0.00 H ATOM 1458 H SER A 90 9.235 8.988 21.437 1.00 0.00 H ATOM 1459 N LYS A 91 9.433 7.221 23.776 1.00 10.28 N ATOM 1460 CA LYS A 91 9.800 6.012 24.507 1.00 10.72 C ATOM 1461 C LYS A 91 11.166 6.114 25.141 1.00 10.17 C ATOM 1462 O LYS A 91 11.402 5.509 26.176 1.00 12.87 O ATOM 1463 CB LYS A 91 9.771 4.768 23.599 1.00 12.28 C ATOM 1464 CG LYS A 91 8.379 4.361 23.126 1.00 20.24 C ATOM 1465 CD LYS A 91 7.513 3.853 24.285 1.00 26.47 C ATOM 1466 CE LYS A 91 6.149 3.323 23.796 1.00 33.48 C ATOM 1467 NZ LYS A 91 5.249 2.888 24.926 1.00 35.78 N ATOM 1468 HA LYS A 91 9.054 5.908 25.295 1.00 0.00 H ATOM 1469 HB2 LYS A 91 10.383 4.973 22.720 1.00 0.00 H ATOM 1470 HB3 LYS A 91 10.200 3.933 24.152 1.00 0.00 H ATOM 1471 HG2 LYS A 91 7.893 5.225 22.673 1.00 0.00 H ATOM 1472 HG3 LYS A 91 8.475 3.569 22.383 1.00 0.00 H ATOM 1473 HD2 LYS A 91 8.042 3.047 24.794 1.00 0.00 H ATOM 1474 HD3 LYS A 91 7.343 4.672 24.983 1.00 0.00 H ATOM 1475 HE2 LYS A 91 6.322 2.470 23.140 1.00 0.00 H ATOM 1476 HE3 LYS A 91 5.648 4.114 23.237 1.00 0.00 H ATOM 1477 HZ1 LYS A 91 5.712 2.127 25.463 1.00 0.00 H ATOM 1478 HZ2 LYS A 91 5.069 3.697 25.555 1.00 0.00 H ATOM 1479 HZ3 LYS A 91 4.349 2.542 24.537 1.00 0.00 H ATOM 1480 H LYS A 91 9.950 7.456 22.905 1.00 0.00 H ATOM 1481 N HIS A 92 12.083 6.852 24.518 1.00 8.12 N ATOM 1482 CA HIS A 92 13.433 7.006 25.053 1.00 8.43 C ATOM 1483 C HIS A 92 13.741 8.438 25.412 1.00 8.56 C ATOM 1484 O HIS A 92 13.590 9.333 24.572 1.00 10.19 O ATOM 1485 CB HIS A 92 14.491 6.604 24.022 1.00 8.21 C ATOM 1486 CG HIS A 92 14.295 5.237 23.452 1.00 11.35 C ATOM 1487 ND1 HIS A 92 15.025 4.147 23.866 1.00 13.19 N ATOM 1488 CD2 HIS A 92 13.441 4.787 22.496 1.00 10.35 C ATOM 1489 CE1 HIS A 92 14.629 3.075 23.197 1.00 13.37 C ATOM 1490 NE2 HIS A 92 13.672 3.442 22.366 1.00 12.30 N ATOM 1491 HA HIS A 92 13.465 6.366 25.935 1.00 0.00 H ATOM 1492 HB2 HIS A 92 14.464 7.324 23.204 1.00 0.00 H ATOM 1493 HB3 HIS A 92 15.469 6.638 24.502 1.00 0.00 H ATOM 1494 HD2 HIS A 92 12.714 5.380 21.941 1.00 0.00 H ATOM 1495 HE1 HIS A 92 15.024 2.066 23.313 1.00 0.00 H ATOM 1496 H HIS A 92 11.832 7.330 23.629 1.00 0.00 H ATOM 1497 N ALA A 93 14.209 8.681 26.639 1.00 8.96 N ATOM 1498 CA ALA A 93 14.614 10.047 26.961 1.00 8.49 C ATOM 1499 C ALA A 93 15.958 10.303 26.241 1.00 8.58 C ATOM 1500 O ALA A 93 16.150 11.365 25.653 1.00 8.84 O ATOM 1501 CB ALA A 93 14.773 10.228 28.458 1.00 9.60 C ATOM 1502 HA ALA A 93 13.854 10.756 26.633 1.00 0.00 H ATOM 1503 HB1 ALA A 93 13.824 10.019 28.951 1.00 0.00 H ATOM 1504 HB2 ALA A 93 15.534 9.541 28.827 1.00 0.00 H ATOM 1505 HB3 ALA A 93 15.075 11.254 28.669 1.00 0.00 H ATOM 1506 H ALA A 93 14.283 7.920 27.344 1.00 0.00 H ATOM 1507 N ASP A 94 16.857 9.304 26.240 1.00 7.82 N ATOM 1508 CA ASP A 94 18.196 9.429 25.647 1.00 7.12 C ATOM 1509 C ASP A 94 18.848 10.693 26.200 1.00 7.22 C ATOM 1510 O ASP A 94 18.970 10.821 27.415 1.00 7.50 O ATOM 1511 CB ASP A 94 18.156 9.396 24.101 1.00 7.66 C ATOM 1512 CG ASP A 94 17.963 7.981 23.549 1.00 7.76 C ATOM 1513 OD1 ASP A 94 17.770 7.016 24.338 1.00 9.18 O ATOM 1514 OD2 ASP A 94 18.015 7.828 22.322 1.00 6.93 O ATOM 1515 HA ASP A 94 18.804 8.568 25.926 1.00 0.00 H ATOM 1516 HB2 ASP A 94 17.331 10.020 23.759 1.00 0.00 H ATOM 1517 HB3 ASP A 94 19.095 9.796 23.718 1.00 0.00 H ATOM 1518 H ASP A 94 16.593 8.399 26.680 1.00 0.00 H ATOM 1519 N GLY A 95 19.215 11.643 25.346 1.00 7.32 N ATOM 1520 CA GLY A 95 19.850 12.840 25.859 1.00 7.83 C ATOM 1521 C GLY A 95 18.913 14.008 26.089 1.00 7.78 C ATOM 1522 O GLY A 95 19.367 15.104 26.434 1.00 9.03 O ATOM 1523 HA3 GLY A 95 20.612 13.152 25.145 1.00 0.00 H ATOM 1524 HA2 GLY A 95 20.323 12.592 26.809 1.00 0.00 H ATOM 1525 H GLY A 95 19.049 11.529 24.326 1.00 0.00 H ATOM 1526 N LEU A 96 17.618 13.806 25.889 1.00 6.98 N ATOM 1527 CA LEU A 96 16.660 14.890 26.077 1.00 6.55 C ATOM 1528 C LEU A 96 16.349 15.103 27.562 1.00 7.16 C ATOM 1529 O LEU A 96 16.556 14.209 28.384 1.00 7.56 O ATOM 1530 CB LEU A 96 15.362 14.568 25.339 1.00 7.99 C ATOM 1531 CG LEU A 96 15.415 14.256 23.836 1.00 7.08 C ATOM 1532 CD1 LEU A 96 13.996 14.186 23.299 1.00 9.57 C ATOM 1533 CD2 LEU A 96 16.219 15.292 23.075 1.00 9.65 C ATOM 1534 HA LEU A 96 17.103 15.802 25.677 1.00 0.00 H ATOM 1535 HB2 LEU A 96 14.923 13.700 25.830 1.00 0.00 H ATOM 1536 HB3 LEU A 96 14.702 15.427 25.464 1.00 0.00 H ATOM 1537 HG LEU A 96 15.915 13.298 23.696 1.00 0.00 H ATOM 1538 HD21 LEU A 96 15.762 16.273 23.206 1.00 0.00 H ATOM 1539 HD22 LEU A 96 17.239 15.311 23.458 1.00 0.00 H ATOM 1540 HD23 LEU A 96 16.232 15.034 22.016 1.00 0.00 H ATOM 1541 HD11 LEU A 96 13.450 13.400 23.821 1.00 0.00 H ATOM 1542 HD12 LEU A 96 13.500 15.143 23.460 1.00 0.00 H ATOM 1543 HD13 LEU A 96 14.023 13.965 22.232 1.00 0.00 H ATOM 1544 H LEU A 96 17.282 12.866 25.596 1.00 0.00 H ATOM 1545 N CYS A 97 15.783 16.260 27.898 1.00 6.87 N ATOM 1546 CA CYS A 97 15.443 16.551 29.294 1.00 8.11 C ATOM 1547 C CYS A 97 14.385 15.597 29.851 1.00 8.32 C ATOM 1548 O CYS A 97 14.335 15.346 31.070 1.00 9.13 O ATOM 1549 CB CYS A 97 14.990 18.006 29.447 1.00 10.02 C ATOM 1550 SG CYS A 97 13.528 18.477 28.420 1.00 8.72 S ATOM 1551 HA CYS A 97 16.349 16.398 29.880 1.00 0.00 H ATOM 1552 HB2 CYS A 97 15.823 18.651 29.168 1.00 0.00 H ATOM 1553 HB3 CYS A 97 14.737 18.174 30.494 1.00 0.00 H ATOM 1554 HG CYS A 97 13.219 19.803 28.644 1.00 0.00 H ATOM 1555 H CYS A 97 15.580 16.966 27.162 1.00 0.00 H ATOM 1556 N HIS A 98 13.570 15.023 28.965 1.00 8.50 N ATOM 1557 CA HIS A 98 12.517 14.100 29.373 1.00 8.62 C ATOM 1558 C HIS A 98 11.996 13.421 28.121 1.00 9.23 C ATOM 1559 O HIS A 98 12.151 13.973 27.024 1.00 9.21 O ATOM 1560 CB HIS A 98 11.365 14.894 30.005 1.00 7.88 C ATOM 1561 CG HIS A 98 10.433 14.060 30.823 1.00 10.15 C ATOM 1562 ND1 HIS A 98 9.367 13.373 30.288 1.00 8.75 N ATOM 1563 CD2 HIS A 98 10.434 13.770 32.148 1.00 9.82 C ATOM 1564 CE1 HIS A 98 8.755 12.688 31.237 1.00 9.91 C ATOM 1565 NE2 HIS A 98 9.389 12.915 32.375 1.00 10.13 N ATOM 1566 HA HIS A 98 12.901 13.374 30.090 1.00 0.00 H ATOM 1567 HB2 HIS A 98 11.791 15.664 30.648 1.00 0.00 H ATOM 1568 HB3 HIS A 98 10.793 15.365 29.206 1.00 0.00 H ATOM 1569 HD2 HIS A 98 11.135 14.147 32.892 1.00 0.00 H ATOM 1570 HE1 HIS A 98 7.882 12.049 31.105 1.00 0.00 H ATOM 1571 H HIS A 98 13.689 15.240 27.955 1.00 0.00 H ATOM 1572 N ARG A 99 11.411 12.223 28.246 1.00 9.10 N ATOM 1573 CA ARG A 99 10.798 11.580 27.064 1.00 9.61 C ATOM 1574 C ARG A 99 9.586 12.461 26.676 1.00 8.34 C ATOM 1575 O ARG A 99 8.994 13.143 27.548 1.00 8.63 O ATOM 1576 CB ARG A 99 10.302 10.144 27.366 1.00 12.34 C ATOM 1577 CG ARG A 99 9.006 10.041 28.157 1.00 15.45 C ATOM 1578 CD ARG A 99 8.528 8.576 28.325 1.00 18.05 C ATOM 1579 NE ARG A 99 7.205 8.496 28.964 1.00 19.83 N ATOM 1580 CZ ARG A 99 6.035 8.556 28.322 1.00 20.40 C ATOM 1581 NH1 ARG A 99 5.984 8.675 27.008 1.00 19.77 N ATOM 1582 NH2 ARG A 99 4.899 8.651 29.009 1.00 24.14 N ATOM 1583 HA ARG A 99 11.536 11.497 26.267 1.00 0.00 H ATOM 1584 HB2 ARG A 99 10.154 9.634 26.414 1.00 0.00 H ATOM 1585 HB3 ARG A 99 11.081 9.634 27.933 1.00 0.00 H ATOM 1586 HG2 ARG A 99 9.164 10.473 29.145 1.00 0.00 H ATOM 1587 HG3 ARG A 99 8.232 10.604 27.635 1.00 0.00 H ATOM 1588 HD2 ARG A 99 9.249 8.039 28.941 1.00 0.00 H ATOM 1589 HD3 ARG A 99 8.473 8.109 27.342 1.00 0.00 H ATOM 1590 HE ARG A 99 7.179 8.384 29.998 1.00 0.00 H ATOM 1591 HH12 ARG A 99 5.064 8.720 26.525 1.00 0.00 H ATOM 1592 HH11 ARG A 99 6.864 8.724 26.456 1.00 0.00 H ATOM 1593 HH22 ARG A 99 3.990 8.698 28.506 1.00 0.00 H ATOM 1594 HH21 ARG A 99 4.921 8.679 30.048 1.00 0.00 H ATOM 1595 H ARG A 99 11.388 11.747 29.170 1.00 0.00 H ATOM 1596 N LEU A 100 9.233 12.473 25.395 1.00 8.30 N ATOM 1597 CA LEU A 100 8.067 13.247 24.955 1.00 8.37 C ATOM 1598 C LEU A 100 6.824 12.567 25.536 1.00 8.71 C ATOM 1599 O LEU A 100 6.679 11.348 25.419 1.00 9.51 O ATOM 1600 CB LEU A 100 7.991 13.313 23.421 1.00 7.42 C ATOM 1601 CG LEU A 100 9.300 13.817 22.794 1.00 8.78 C ATOM 1602 CD1 LEU A 100 9.174 13.867 21.264 1.00 6.32 C ATOM 1603 CD2 LEU A 100 9.704 15.167 23.422 1.00 5.77 C ATOM 1604 HA LEU A 100 8.140 14.276 25.308 1.00 0.00 H ATOM 1605 HB2 LEU A 100 7.779 12.315 23.037 1.00 0.00 H ATOM 1606 HB3 LEU A 100 7.184 13.989 23.138 1.00 0.00 H ATOM 1607 HG LEU A 100 10.109 13.120 23.012 1.00 0.00 H ATOM 1608 HD21 LEU A 100 8.916 15.899 23.244 1.00 0.00 H ATOM 1609 HD22 LEU A 100 9.847 15.039 24.495 1.00 0.00 H ATOM 1610 HD23 LEU A 100 10.633 15.513 22.969 1.00 0.00 H ATOM 1611 HD11 LEU A 100 8.959 12.868 20.886 1.00 0.00 H ATOM 1612 HD12 LEU A 100 8.364 14.543 20.989 1.00 0.00 H ATOM 1613 HD13 LEU A 100 10.110 14.226 20.835 1.00 0.00 H ATOM 1614 H LEU A 100 9.786 11.931 24.701 1.00 0.00 H ATOM 1615 N THR A 101 5.933 13.356 26.132 1.00 8.58 N ATOM 1616 CA THR A 101 4.726 12.828 26.767 1.00 10.22 C ATOM 1617 C THR A 101 3.388 13.268 26.144 1.00 12.42 C ATOM 1618 O THR A 101 2.595 12.426 25.692 1.00 16.82 O ATOM 1619 CB THR A 101 4.681 13.159 28.305 1.00 11.25 C ATOM 1620 OG1 THR A 101 4.781 14.580 28.518 1.00 9.00 O ATOM 1621 CG2 THR A 101 5.796 12.446 29.050 1.00 8.77 C ATOM 1622 HA THR A 101 4.816 11.756 26.594 1.00 0.00 H ATOM 1623 HB THR A 101 3.726 12.807 28.694 1.00 0.00 H ATOM 1624 HG1 THR A 101 4.751 14.770 29.489 1.00 0.00 H ATOM 1625 HG23 THR A 101 5.713 11.372 28.884 1.00 0.00 H ATOM 1626 HG21 THR A 101 6.760 12.799 28.683 1.00 0.00 H ATOM 1627 HG22 THR A 101 5.712 12.658 30.116 1.00 0.00 H ATOM 1628 H THR A 101 6.101 14.382 26.147 1.00 0.00 H ATOM 1629 N THR A 102 3.098 14.561 26.163 1.00 11.68 N ATOM 1630 CA THR A 102 1.819 15.029 25.629 1.00 12.23 C ATOM 1631 C THR A 102 2.036 16.251 24.756 1.00 9.74 C ATOM 1632 O THR A 102 2.983 17.012 24.956 1.00 8.73 O ATOM 1633 CB THR A 102 0.771 15.321 26.785 1.00 16.70 C ATOM 1634 OG1 THR A 102 0.891 16.659 27.264 1.00 22.66 O ATOM 1635 CG2 THR A 102 1.041 14.418 28.003 1.00 25.76 C ATOM 1636 HA THR A 102 1.395 14.235 25.014 1.00 0.00 H ATOM 1637 HB THR A 102 -0.215 15.141 26.358 1.00 0.00 H ATOM 1638 HG1 THR A 102 0.726 17.291 26.520 1.00 0.00 H ATOM 1639 HG23 THR A 102 0.964 13.373 27.703 1.00 0.00 H ATOM 1640 HG21 THR A 102 2.043 14.615 28.385 1.00 0.00 H ATOM 1641 HG22 THR A 102 0.307 14.629 28.780 1.00 0.00 H ATOM 1642 H THR A 102 3.778 15.242 26.557 1.00 0.00 H ATOM 1643 N VAL A 103 1.207 16.378 23.735 1.00 9.26 N ATOM 1644 CA VAL A 103 1.290 17.513 22.831 1.00 8.88 C ATOM 1645 C VAL A 103 0.898 18.794 23.567 1.00 8.72 C ATOM 1646 O VAL A 103 -0.094 18.832 24.289 1.00 8.94 O ATOM 1647 CB VAL A 103 0.421 17.296 21.593 1.00 9.86 C ATOM 1648 CG1 VAL A 103 0.507 18.481 20.664 1.00 9.75 C ATOM 1649 CG2 VAL A 103 0.854 15.987 20.901 1.00 10.93 C ATOM 1650 HA VAL A 103 2.320 17.612 22.489 1.00 0.00 H ATOM 1651 HB VAL A 103 -0.625 17.205 21.886 1.00 0.00 H ATOM 1652 HG11 VAL A 103 0.162 19.375 21.184 1.00 0.00 H ATOM 1653 HG12 VAL A 103 1.541 18.619 20.348 1.00 0.00 H ATOM 1654 HG13 VAL A 103 -0.120 18.303 19.790 1.00 0.00 H ATOM 1655 HG21 VAL A 103 1.901 16.062 20.608 1.00 0.00 H ATOM 1656 HG22 VAL A 103 0.727 15.153 21.592 1.00 0.00 H ATOM 1657 HG23 VAL A 103 0.239 15.825 20.016 1.00 0.00 H ATOM 1658 H VAL A 103 0.481 15.651 23.575 1.00 0.00 H ATOM 1659 N CYS A 104 1.678 19.846 23.360 1.00 8.39 N ATOM 1660 CA CYS A 104 1.413 21.112 24.002 1.00 9.91 C ATOM 1661 C CYS A 104 0.059 21.683 23.642 1.00 10.78 C ATOM 1662 O CYS A 104 -0.282 21.747 22.482 1.00 11.39 O ATOM 1663 CB CYS A 104 2.454 22.147 23.621 1.00 11.36 C ATOM 1664 SG CYS A 104 2.379 23.639 24.621 1.00 12.05 S ATOM 1665 HA CYS A 104 1.442 20.902 25.071 1.00 0.00 H ATOM 1666 HB2 CYS A 104 2.302 22.422 22.577 1.00 0.00 H ATOM 1667 HB3 CYS A 104 3.442 21.702 23.738 1.00 0.00 H ATOM 1668 HG CYS A 104 1.138 24.226 24.476 1.00 0.00 H ATOM 1669 H CYS A 104 2.496 19.758 22.724 1.00 0.00 H ATOM 1670 N PRO A 105 -0.749 22.048 24.654 1.00 10.78 N ATOM 1671 CA PRO A 105 -2.066 22.627 24.349 1.00 12.19 C ATOM 1672 C PRO A 105 -1.850 24.017 23.712 1.00 14.16 C ATOM 1673 O PRO A 105 -0.907 24.699 24.174 1.00 13.74 O ATOM 1674 CB PRO A 105 -2.699 22.768 25.737 1.00 14.45 C ATOM 1675 CG PRO A 105 -2.004 21.740 26.581 1.00 13.87 C ATOM 1676 CD PRO A 105 -0.578 21.796 26.096 1.00 12.23 C ATOM 1677 HA PRO A 105 -2.676 22.040 23.662 1.00 0.00 H ATOM 1678 HD3 PRO A 105 -0.028 22.605 26.576 1.00 0.00 H ATOM 1679 HD2 PRO A 105 -0.062 20.852 26.274 1.00 0.00 H ATOM 1680 HG3 PRO A 105 -2.432 20.750 26.422 1.00 0.00 H ATOM 1681 HG2 PRO A 105 -2.067 21.996 27.639 1.00 0.00 H ATOM 1682 HB2 PRO A 105 -2.533 23.769 26.135 1.00 0.00 H ATOM 1683 HB3 PRO A 105 -3.770 22.569 25.693 1.00 0.00 H TER 1684 PRO A 105 HETATM 1685 O HOH 1 5.456 13.588 32.563 1.00 9.57 O HETATM 1686 O HOH 2 16.263 16.272 32.697 1.00 14.47 O HETATM 1687 O HOH 3 19.151 9.777 20.923 1.00 7.56 O HETATM 1688 O HOH 4 5.174 32.979 17.065 1.00 11.06 O HETATM 1689 O HOH 5 7.284 20.267 32.487 1.00 11.34 O HETATM 1690 O HOH 6 5.700 20.520 35.039 1.00 12.55 O HETATM 1691 O HOH 7 0.389 12.403 16.404 1.00 16.14 O HETATM 1692 O HOH 8 15.235 33.419 19.520 1.00 12.46 O HETATM 1693 O HOH 9 20.697 18.497 16.321 1.00 13.23 O HETATM 1694 O HOH 10 16.476 34.414 16.098 1.00 10.01 O HETATM 1695 O HOH 11 20.789 4.884 17.597 1.00 14.97 O HETATM 1696 O HOH 12 18.498 4.132 18.992 1.00 14.68 O HETATM 1697 O HOH 13 6.125 5.786 20.756 1.00 13.89 O HETATM 1698 O HOH 14 21.447 8.274 20.438 1.00 11.00 O HETATM 1699 O HOH 15 19.337 16.113 29.100 1.00 11.40 O HETATM 1700 O HOH 16 3.524 31.150 29.795 1.00 19.17 O HETATM 1701 O HOH 17 3.730 11.135 22.118 1.00 28.57 O HETATM 1702 O HOH 18 12.655 28.033 30.469 1.00 20.47 O HETATM 1703 O HOH 19 10.429 33.207 26.746 1.00 17.97 O HETATM 1704 O HOH 20 7.565 33.167 26.733 1.00 25.36 O HETATM 1705 O HOH 21 10.688 29.475 14.669 1.00 24.50 O HETATM 1706 O HOH 22 4.287 9.670 24.842 1.00 26.88 O HETATM 1707 O HOH 23 7.832 4.313 14.870 1.00 18.24 O HETATM 1708 O HOH 24 9.790 31.106 12.915 1.00 18.66 O HETATM 1709 O HOH 25 11.192 29.973 10.756 1.00 17.18 O HETATM 1710 O HOH 26 15.238 17.890 35.082 1.00 20.27 O HETATM 1711 O HOH 27 15.176 30.587 25.290 1.00 20.73 O HETATM 1712 O HOH 28 -2.227 14.679 20.782 1.00 38.62 O HETATM 1713 O HOH 29 13.658 27.545 9.270 1.00 31.07 O HETATM 1714 O HOH 30 4.718 35.088 21.666 1.00 17.21 O HETATM 1715 O HOH 31 -0.127 25.793 26.652 1.00 11.25 O HETATM 1716 O HOH 32 0.518 29.457 28.717 1.00 21.86 O HETATM 1717 O HOH 33 11.584 28.660 33.152 1.00 29.21 O HETATM 1718 O HOH 34 2.606 11.360 14.785 1.00 27.85 O HETATM 1719 O HOH 35 0.080 21.373 11.845 1.00 37.16 O HETATM 1720 O HOH 36 10.107 3.676 7.547 1.00 21.79 O HETATM 1721 O HOH 37 15.489 20.942 31.577 1.00 20.62 O HETATM 1722 O HOH 38 -2.429 21.198 21.024 1.00 18.09 O HETATM 1723 O HOH 39 8.936 9.295 31.617 1.00 15.38 O HETATM 1724 O HOH 40 22.310 20.118 14.685 1.00 26.37 O HETATM 1725 O HOH 41 16.348 26.465 27.033 1.00 17.71 O HETATM 1726 O HOH 42 -3.359 23.418 29.701 1.00 20.64 O HETATM 1727 O HOH 43 4.482 9.757 15.869 1.00 24.96 O HETATM 1728 O HOH 44 -0.978 14.261 23.392 1.00 30.17 O HETATM 1729 O HOH 45 0.266 28.709 34.469 1.00 30.97 O HETATM 1730 O HOH 46 15.707 25.251 30.720 1.00 21.35 O HETATM 1731 O HOH 47 -3.595 16.844 20.317 1.00 44.30 O HETATM 1732 O HOH 48 -2.466 21.184 18.074 1.00 34.31 O HETATM 1733 O HOH 49 28.644 12.005 20.114 1.00 40.38 O HETATM 1734 O HOH 50 5.975 10.501 32.440 1.00 49.53 O HETATM 1735 O HOH 51 5.960 6.262 13.705 1.00 33.48 O HETATM 1736 O HOH 52 -3.293 19.013 23.217 1.00 43.14 O HETATM 1737 O HOH 53 30.561 7.850 20.322 1.00 29.32 O HETATM 1738 O HOH 54 20.775 17.267 25.142 1.00 36.44 O HETATM 1739 O HOH 55 8.628 6.965 6.790 1.00 27.57 O HETATM 1740 O HOH 56 27.273 9.502 12.924 1.00 58.62 O HETATM 1741 O HOH 57 1.414 24.177 11.580 1.00 46.07 O HETATM 1742 O HOH 58 11.508 11.235 33.643 1.00 18.36 O HETATM 1743 O HOH 59 19.203 21.842 24.344 1.00 27.09 O HETATM 1744 O HOH 60 3.046 33.043 13.517 1.00 53.25 O HETATM 1745 O HOH 61 19.736 30.865 21.829 1.00 46.88 O HETATM 1746 O HOH 62 0.878 30.552 31.877 1.00 37.90 O HETATM 1747 O HOH 63 21.007 13.972 21.959 1.00 38.06 O HETATM 1748 O HOH 64 24.181 7.183 11.666 1.00 30.79 O HETATM 1749 O HOH 65 2.630 33.974 29.598 1.00 93.74 O HETATM 1750 O HOH 66 24.270 4.291 14.727 1.00 47.05 O HETATM 1751 O HOH 67 9.105 9.678 4.876 1.00 57.86 O HETATM 1752 O HOH 68 -0.963 24.155 28.889 1.00 15.00 O HETATM 1753 O HOH 69 -4.755 19.208 18.770 1.00 31.68 O HETATM 1754 O HOH 70 0.538 29.831 19.061 1.00 28.05 O HETATM 1755 O HOH 71 -3.056 27.557 23.294 1.00 36.78 O HETATM 1756 O HOH 72 9.756 30.245 7.433 1.00 19.35 O HETATM 1757 O HOH 73 -4.327 26.763 31.028 1.00 41.71 O HETATM 1758 O HOH 74 -5.205 22.612 22.186 1.00 43.70 O HETATM 1759 O HOH 75 -1.313 23.365 15.753 1.00 39.76 O HETATM 1760 O HOH 76 5.245 36.037 24.155 1.00 23.28 O HETATM 1761 O HOH 77 17.393 21.808 32.900 1.00 49.27 O HETATM 1762 O HOH 78 10.265 17.278 42.087 1.00 36.06 O HETATM 1763 O HOH 79 6.441 28.943 6.763 1.00 33.24 O HETATM 1764 O HOH 80 9.991 26.571 5.634 1.00 50.14 O HETATM 1765 O HOH 81 20.833 20.247 26.431 1.00 32.89 O HETATM 1766 O HOH 82 -2.109 27.266 34.150 1.00 22.05 O HETATM 1767 O HOH 83 30.307 7.132 15.349 1.00 31.13 O HETATM 1768 O HOH 84 20.649 5.955 13.051 1.00 10.06 O HETATM 1769 O HOH 85 20.977 22.822 28.048 1.00 18.56 O HETATM 1770 O HOH 86 18.683 18.708 27.731 1.00 16.22 O HETATM 1771 O HOH 87 17.170 4.642 25.913 1.00 19.01 O HETATM 1772 O HOH 88 3.846 22.328 36.511 1.00 14.93 O HETATM 1773 O HOH 89 -4.182 25.575 21.024 1.00 30.01 O HETATM 1774 O HOH 90 -0.915 20.103 29.361 1.00 24.33 O HETATM 1775 O HOH 91 20.075 28.463 20.426 1.00 48.84 O HETATM 1776 O HOH 92 0.060 33.244 27.950 1.00 27.38 O HETATM 1777 O HOH 93 19.913 20.874 19.651 1.00 20.09 O HETATM 1778 O HOH 94 8.692 12.432 35.034 1.00 16.03 O HETATM 1779 O HOH 95 3.172 27.750 10.160 1.00 25.33 O HETATM 1780 O HOH 96 6.415 24.883 8.528 1.00 17.17 O HETATM 1781 O HOH 97 5.603 34.853 10.622 1.00 22.75 O HETATM 1782 O HOH 98 7.232 25.720 38.385 1.00 18.56 O HETATM 1783 O HOH 99 14.940 4.822 12.233 1.00 8.03 O HETATM 1784 O HOH 100 -1.238 28.232 26.847 1.00 45.20 O HETATM 1785 O HOH 101 -1.853 18.341 33.595 1.00 13.53 O HETATM 1786 O HOH 102 14.158 20.876 34.959 1.00 19.43 O HETATM 1787 O HOH 103 13.706 17.324 41.317 1.00 31.54 O HETATM 1788 O HOH 104 17.385 24.790 25.183 1.00 12.96 O HETATM 1789 O HOH 105 18.320 11.838 16.866 1.00 7.78 O HETATM 1790 O HOH 106 8.337 13.509 8.108 1.00 16.23 O HETATM 1791 O HOH 107 8.695 2.896 12.505 1.00 15.76 O HETATM 1792 O HOH 108 18.777 12.974 29.023 1.00 8.03 O HETATM 1793 O HOH 109 11.009 23.435 6.980 1.00 45.40 O HETATM 1794 O HOH 110 1.079 27.180 14.892 1.00 30.64 O HETATM 1795 O HOH 111 5.764 35.221 26.591 1.00 25.83 O HETATM 1796 O HOH 112 5.321 28.205 34.951 1.00 52.67 O HETATM 1797 O HOH 113 -5.299 24.751 36.739 1.00 40.77 O HETATM 1798 O HOH 114 12.296 24.939 8.737 1.00 25.56 O HETATM 1799 O HOH 115 17.812 20.378 8.287 1.00 24.49 O HETATM 1800 O HOH 116 14.241 27.921 35.113 1.00 37.39 O HETATM 1801 O HOH 117 21.167 25.055 16.989 1.00 43.58 O HETATM 1802 O HOH 118 12.691 5.445 10.573 1.00 10.50 O HETATM 1803 O HOH 119 17.430 25.009 18.743 1.00 50.75 O HETATM 1804 O HOH 120 9.931 10.872 36.696 1.00 27.42 O HETATM 1805 O HOH 121 -2.563 30.252 24.340 1.00 39.33 O HETATM 1806 O HOH 122 13.057 15.518 33.632 1.00 22.37 O HETATM 1807 O HOH 123 13.747 29.083 28.463 1.00 52.13 O HETATM 1808 O HOH 124 15.586 30.196 8.877 1.00 43.41 O HETATM 1809 O HOH 125 4.376 30.534 7.046 1.00 61.43 O HETATM 1810 O HOH 126 21.900 33.279 12.911 1.00 26.87 O HETATM 1811 O HOH 127 18.098 2.237 26.704 1.00 18.26 O HETATM 1812 O HOH 128 16.017 27.612 31.815 1.00 40.59 O HETATM 1813 O HOH 129 2.556 31.497 9.322 1.00 38.18 O HETATM 1814 O HOH 130 2.759 34.030 10.233 1.00 35.86 O HETATM 1815 O HOH 131 6.600 32.229 32.457 1.00 61.35 O HETATM 1816 O HOH 132 -1.696 27.995 38.486 1.00 52.28 O HETATM 1817 O HOH 133 23.135 15.747 23.944 1.00 40.37 O HETATM 1818 O HOH 134 3.377 25.289 9.017 1.00 58.26 O HETATM 1819 O HOH 135 0.511 28.130 17.243 1.00 54.40 O HETATM 1820 O HOH 136 12.455 29.492 6.730 1.00 38.49 O HETATM 1821 O HOH 137 6.508 34.268 29.001 1.00 74.80 O HETATM 1822 O HOH 138 4.093 36.297 28.798 1.00 44.05 O HETATM 1823 O HOH 139 14.799 32.323 28.058 1.00 51.73 O HETATM 1824 O HOH 140 -3.036 26.527 36.726 1.00 37.68 O HETATM 1825 O HOH 141 19.702 27.683 36.852 1.00 45.25 O HETATM 1826 O HOH 142 18.504 26.092 28.873 1.00 45.96 O HETATM 1827 O HOH 143 19.902 23.927 25.798 1.00 51.51 O HETATM 1828 O HOH 144 8.672 12.352 5.633 1.00 52.07 O HETATM 1829 O HOH 145 5.795 8.120 9.513 1.00 54.25 O HETATM 1830 O HOH 146 -1.323 15.420 29.313 1.00 23.83 O HETATM 1831 O HOH 147 6.637 7.960 32.685 1.00 36.64 O HETATM 1832 O HOH 148 19.148 26.143 23.207 1.00 40.51 O HETATM 1833 O HOH 149 12.130 18.426 5.965 1.00 56.76 O HETATM 1834 O HOH 150 5.415 12.849 6.111 1.00 64.84 O HETATM 1835 O HOH 151 10.882 31.317 33.388 1.00 49.53 O HETATM 1836 O HOH 152 11.080 22.021 4.209 1.00 51.36 O HETATM 1837 O HOH 153 19.478 12.038 22.587 1.00 14.25 O HETATM 1838 O HOH 154 5.157 6.568 25.774 1.00 49.04 O HETATM 1839 O HOH 155 16.975 28.861 26.347 1.00 38.60 O HETATM 1840 O HOH 156 -4.564 26.072 24.837 1.00 44.48 O HETATM 1841 O HOH 157 -0.987 18.247 26.658 1.00 28.40 O HETATM 1842 O HOH 158 19.746 29.601 39.258 1.00 48.59 O HETATM 1843 O HOH 159 20.679 16.490 22.648 1.00 36.98 O HETATM 1844 O HOH 160 23.352 19.929 10.969 1.00 50.54 O HETATM 1845 O HOH 161 9.557 8.671 34.476 1.00 39.49 O HETATM 1846 O HOH 162 8.359 28.518 35.871 1.00 45.90 O HETATM 1847 O HOH 163 30.943 4.774 16.718 1.00 51.77 O HETATM 1848 O HOH 164 16.852 19.190 4.080 1.00 46.69 O HETATM 1849 O HOH 165 20.793 29.574 17.460 1.00 48.36 O HETATM 1850 O HOH 166 20.357 31.919 15.695 1.00 46.21 O HETATM 1851 C1 NON A 167 15.237 28.676 17.600 1.00 0.05 C HETATM 1852 O1A NON A 167 15.044 28.325 18.865 1.00 -0.57 O HETATM 1853 O1B NON A 167 14.333 28.807 16.826 1.00 -0.57 O HETATM 1854 C2 NON A 167 16.699 28.937 17.279 1.00 0.05 C HETATM 1855 C3 NON A 167 17.457 27.652 16.927 1.00 0.05 C HETATM 1856 O3A NON A 167 17.723 27.271 15.659 1.00 -0.57 O HETATM 1857 O3B NON A 167 17.902 26.962 17.794 1.00 -0.57 O HETATM 1858 H1 NON A 167 17.176 29.400 18.155 1.00 0.06 H HETATM 1859 H2 NON A 167 16.756 29.626 16.424 1.00 0.06 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1851 1852 1853 1854 CONECT 1852 1851 CONECT 1853 1851 CONECT 1854 1851 1855 1858 1859 CONECT 1855 1854 1856 1857 CONECT 1856 1855 CONECT 1857 1855 CONECT 1858 1854 CONECT 1859 1854 MASTER 0 0 0 0 0 0 0 0 1858 1 13 9 END
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Structure:
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Protein
Pocket-Ligand
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Related entries of code: 1o4m
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1a07
RCSB PDB
PDBbind
107aa, >1A07_1|Chains... at 99%
1a08
RCSB PDB
PDBbind
107aa, >1A08_1|Chains... at 99%
1a09
RCSB PDB
PDBbind
107aa, >1A09_1|Chains... at 99%
1a1b
RCSB PDB
PDBbind
107aa, >1A1B_1|Chains... at 99%
1a1c
RCSB PDB
PDBbind
107aa, >1A1C_1|Chains... at 99%
1a1e
RCSB PDB
PDBbind
107aa, >1A1E_1|Chains... at 99%
1is0
RCSB PDB
PDBbind
106aa, >1IS0_1|Chains... at 97%
1nlp
RCSB PDB
PDBbind
64aa, >1NLP_1|Chain... at 93%
1nzl
RCSB PDB
PDBbind
103aa, >1NZL_1|Chains... at 97%
1nzv
RCSB PDB
PDBbind
103aa, >1NZV_1|Chains... at 97%
1o41
RCSB PDB
PDBbind
108aa, >1O41_1|Chain... at 100%
1o42
RCSB PDB
PDBbind
108aa, >1O42_1|Chain... at 100%
1o43
RCSB PDB
PDBbind
108aa, >1O43_1|Chain... at 100%
1o44
RCSB PDB
PDBbind
108aa, >1O44_1|Chain... at 100%
1o45
RCSB PDB
PDBbind
108aa, >1O45_1|Chain... at 100%
1o46
RCSB PDB
PDBbind
108aa, >1O46_1|Chain... at 100%
1o47
RCSB PDB
PDBbind
108aa, >1O47_1|Chain... at 100%
1o48
RCSB PDB
PDBbind
108aa, >1O48_1|Chain... at 100%
1o49
RCSB PDB
PDBbind
108aa, >1O49_1|Chain... at 100%
1o4a
RCSB PDB
PDBbind
108aa, >1O4A_1|Chain... at 100%
1o4b
RCSB PDB
PDBbind
108aa, >1O4B_1|Chain... at 100%
1o4d
RCSB PDB
PDBbind
108aa, >1O4D_1|Chain... at 100%
1o4e
RCSB PDB
PDBbind
108aa, >1O4E_1|Chain... at 100%
1o4f
RCSB PDB
PDBbind
108aa, >1O4F_1|Chain... at 100%
1o4g
RCSB PDB
PDBbind
108aa, >1O4G_1|Chain... at 100%
1o4h
RCSB PDB
PDBbind
108aa, >1O4H_1|Chain... at 100%
1o4i
RCSB PDB
PDBbind
108aa, >1O4I_1|Chain... at 100%
1o4j
RCSB PDB
PDBbind
108aa, >1O4J_1|Chain... at 100%
1o4k
RCSB PDB
PDBbind
108aa, >1O4K_1|Chain... at 100%
1o4l
RCSB PDB
PDBbind
108aa, >1O4L_1|Chain... at 100%
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
2fah
RCSB PDB
PDBbind
MLA
Entry Information
PDB ID
1o4m
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
proto-oncogene tyrosine-protein kinase src
Ligand Name
MLA
EC.Number
E.C.2.7.1.112
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
IC50>40mM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. v46 pp. 5184-95, 2003
Ligand Properties
Formula
C
3
H
4
O
4
Molecular Weight
104.061
Exact Mass
104.011
No. of atoms
11
No. of bonds
10
Polar Surface Area
74.6
LOGP Value
1.81 (
Computed with XLOGP3
)
-0.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 0
Canonical SMILES
OC(=O)CC(=O)O
InChI String
InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
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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