Browse entries in the PDBbind-CN Database
HEADER 1SHD_COMPLEX COMPND 1SHD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 37 SER ILE GLN ALA GLU GLU TRP TYR PHE GLY LYS ILE THR SEQRES 2 A 37 ARG ARG GLU SER GLU ARG LEU LEU LEU ASN ALA GLU ASN SEQRES 3 A 37 PRO ARG GLY THR PHE LEU VAL ARG GLU SER GLU SEQRES 1 A 64 ALA TYR CYS LEU SER VAL SER ASP PHE ASP ASN ALA LYS SEQRES 2 A 64 GLY LEU ASN VAL LYS HIS TYR LYS ILE ARG LYS LEU ASP SEQRES 3 A 64 SER GLY GLY PHE TYR ILE THR SER ARG THR GLN PHE ASN SEQRES 4 A 64 SER LEU GLN GLN LEU VAL ALA TYR TYR SER LYS HIS ALA SEQRES 5 A 64 ASP GLY LEU CYS HIS ARG LEU THR THR VAL CYS PRO HET ACE A 139 74 ATOM 1 N SER A 145 5.212 22.569 21.595 1.00 71.21 N ATOM 2 CA SER A 145 5.366 22.713 20.162 1.00 68.88 C ATOM 3 C SER A 145 6.297 21.580 19.793 1.00 65.31 C ATOM 4 O SER A 145 6.585 20.725 20.641 1.00 62.90 O ATOM 5 CB SER A 145 5.998 24.094 19.866 1.00 71.71 C ATOM 6 OG SER A 145 6.693 24.557 21.036 1.00 74.41 O ATOM 7 HA SER A 145 4.434 22.668 19.599 1.00 0.00 H ATOM 8 HB2 SER A 145 5.215 24.805 19.602 1.00 0.00 H ATOM 9 HB3 SER A 145 6.700 24.004 19.037 1.00 0.00 H ATOM 10 HG SER A 145 7.098 25.441 20.849 1.00 0.00 H ATOM 11 HN3 SER A 145 6.142 22.655 22.053 1.00 0.00 H ATOM 12 HN2 SER A 145 4.805 21.636 21.807 1.00 0.00 H ATOM 13 HN1 SER A 145 4.579 23.314 21.951 1.00 0.00 H ATOM 14 N ILE A 146 6.772 21.584 18.554 1.00 61.43 N ATOM 15 CA ILE A 146 7.683 20.552 18.146 1.00 56.35 C ATOM 16 C ILE A 146 8.949 20.723 18.964 1.00 54.16 C ATOM 17 O ILE A 146 9.487 19.739 19.446 1.00 52.76 O ATOM 18 CB ILE A 146 7.878 20.682 16.600 1.00 55.58 C ATOM 19 CG1 ILE A 146 8.564 19.416 16.131 1.00 54.55 C ATOM 20 CG2 ILE A 146 8.643 21.942 16.198 1.00 54.67 C ATOM 21 CD1 ILE A 146 7.693 18.181 16.398 1.00 56.28 C ATOM 22 HA ILE A 146 7.323 19.539 18.329 1.00 0.00 H ATOM 23 HB ILE A 146 6.909 20.792 16.114 1.00 0.00 H ATOM 24 HG12 ILE A 146 8.756 19.491 15.061 1.00 0.00 H ATOM 25 HG13 ILE A 146 9.510 19.306 16.662 1.00 0.00 H ATOM 26 HD11 ILE A 146 7.501 18.097 17.468 1.00 0.00 H ATOM 27 HD12 ILE A 146 6.748 18.283 15.865 1.00 0.00 H ATOM 28 HD13 ILE A 146 8.214 17.289 16.050 1.00 0.00 H ATOM 29 HG21 ILE A 146 8.096 22.821 16.538 1.00 0.00 H ATOM 30 HG22 ILE A 146 9.632 21.927 16.657 1.00 0.00 H ATOM 31 HG23 ILE A 146 8.745 21.973 15.113 1.00 0.00 H ATOM 32 H ILE A 146 6.487 22.327 17.885 1.00 0.00 H ATOM 33 N GLN A 147 9.335 21.956 19.299 1.00 52.08 N ATOM 34 CA GLN A 147 10.542 22.156 20.075 1.00 51.36 C ATOM 35 C GLN A 147 10.456 21.662 21.520 1.00 50.00 C ATOM 36 O GLN A 147 11.329 21.949 22.335 1.00 51.86 O ATOM 37 CB GLN A 147 10.913 23.660 20.011 1.00 52.89 C ATOM 38 CG GLN A 147 9.930 24.647 20.649 1.00 56.86 C ATOM 39 CD GLN A 147 10.326 26.134 20.680 1.00 59.25 C ATOM 40 OE1 GLN A 147 10.487 26.780 19.640 1.00 57.54 O ATOM 41 NE2 GLN A 147 10.434 26.761 21.855 1.00 58.02 N ATOM 42 HA GLN A 147 11.326 21.542 19.631 1.00 0.00 H ATOM 43 HB2 GLN A 147 11.874 23.783 20.510 1.00 0.00 H ATOM 44 HB3 GLN A 147 11.014 23.930 18.960 1.00 0.00 H ATOM 45 HG2 GLN A 147 8.991 24.572 20.101 1.00 0.00 H ATOM 46 HG3 GLN A 147 9.774 24.330 21.680 1.00 0.00 H ATOM 47 HE22 GLN A 147 10.301 26.232 22.741 1.00 0.00 H ATOM 48 HE21 GLN A 147 10.651 27.778 21.884 1.00 0.00 H ATOM 49 H GLN A 147 8.768 22.776 19.002 1.00 0.00 H ATOM 50 N ALA A 148 9.398 20.952 21.921 1.00 47.97 N ATOM 51 CA ALA A 148 9.324 20.369 23.265 1.00 43.64 C ATOM 52 C ALA A 148 9.554 18.852 23.178 1.00 40.76 C ATOM 53 O ALA A 148 9.617 18.103 24.179 1.00 40.85 O ATOM 54 CB ALA A 148 7.949 20.616 23.871 1.00 45.78 C ATOM 55 HA ALA A 148 10.087 20.833 23.889 1.00 0.00 H ATOM 56 HB1 ALA A 148 7.770 21.689 23.937 1.00 0.00 H ATOM 57 HB2 ALA A 148 7.188 20.157 23.240 1.00 0.00 H ATOM 58 HB3 ALA A 148 7.909 20.178 24.868 1.00 0.00 H ATOM 59 H ALA A 148 8.606 20.809 21.263 1.00 0.00 H ATOM 60 N GLU A 149 9.701 18.386 21.928 1.00 34.27 N ATOM 61 CA GLU A 149 9.927 16.988 21.684 1.00 29.52 C ATOM 62 C GLU A 149 11.391 16.699 21.919 1.00 24.61 C ATOM 63 O GLU A 149 12.238 17.429 21.404 1.00 23.55 O ATOM 64 CB GLU A 149 9.530 16.673 20.261 1.00 31.11 C ATOM 65 CG GLU A 149 8.085 17.031 19.954 1.00 34.30 C ATOM 66 CD GLU A 149 7.068 16.464 20.921 1.00 36.32 C ATOM 67 OE1 GLU A 149 7.214 15.352 21.425 1.00 32.67 O ATOM 68 OE2 GLU A 149 6.110 17.173 21.178 1.00 41.22 O ATOM 69 HA GLU A 149 9.332 16.367 22.353 1.00 0.00 H ATOM 70 HB2 GLU A 149 10.178 17.234 19.587 1.00 0.00 H ATOM 71 HB3 GLU A 149 9.667 15.605 20.090 1.00 0.00 H ATOM 72 HG2 GLU A 149 7.995 18.117 19.966 1.00 0.00 H ATOM 73 HG3 GLU A 149 7.848 16.659 18.957 1.00 0.00 H ATOM 74 H GLU A 149 9.651 19.045 21.125 1.00 0.00 H ATOM 75 N GLU A 150 11.760 15.676 22.669 1.00 22.25 N ATOM 76 CA GLU A 150 13.175 15.425 22.818 1.00 24.01 C ATOM 77 C GLU A 150 13.857 14.826 21.596 1.00 19.04 C ATOM 78 O GLU A 150 15.075 14.785 21.520 1.00 17.73 O ATOM 79 CB GLU A 150 13.393 14.527 24.001 1.00 30.96 C ATOM 80 CG GLU A 150 12.704 13.208 23.892 1.00 43.49 C ATOM 81 CD GLU A 150 13.077 12.274 25.021 1.00 50.15 C ATOM 82 OE1 GLU A 150 14.270 12.160 25.370 1.00 56.00 O ATOM 83 OE2 GLU A 150 12.135 11.667 25.534 1.00 53.43 O ATOM 84 HA GLU A 150 13.636 16.402 22.959 1.00 0.00 H ATOM 85 HB2 GLU A 150 14.463 14.348 24.104 1.00 0.00 H ATOM 86 HB3 GLU A 150 13.023 15.035 24.891 1.00 0.00 H ATOM 87 HG2 GLU A 150 11.627 13.372 23.913 1.00 0.00 H ATOM 88 HG3 GLU A 150 12.982 12.744 22.946 1.00 0.00 H ATOM 89 H GLU A 150 11.055 15.071 23.137 1.00 0.00 H ATOM 90 N TRP A 151 13.102 14.290 20.632 1.00 16.61 N ATOM 91 CA TRP A 151 13.686 13.777 19.400 1.00 11.45 C ATOM 92 C TRP A 151 13.884 14.856 18.349 1.00 12.32 C ATOM 93 O TRP A 151 14.427 14.570 17.299 1.00 13.39 O ATOM 94 CB TRP A 151 12.791 12.664 18.850 1.00 14.12 C ATOM 95 CG TRP A 151 11.270 12.877 18.877 1.00 13.87 C ATOM 96 CD1 TRP A 151 10.509 12.161 19.763 1.00 16.35 C ATOM 97 CD2 TRP A 151 10.503 13.692 18.070 1.00 14.95 C ATOM 98 NE1 TRP A 151 9.267 12.503 19.520 1.00 14.38 N ATOM 99 CE2 TRP A 151 9.207 13.398 18.537 1.00 14.92 C ATOM 100 CE3 TRP A 151 10.658 14.618 17.026 1.00 15.99 C ATOM 101 CZ2 TRP A 151 8.064 14.007 18.001 1.00 14.42 C ATOM 102 CZ3 TRP A 151 9.514 15.227 16.490 1.00 19.24 C ATOM 103 CH2 TRP A 151 8.226 14.926 16.969 1.00 15.09 C ATOM 104 HA TRP A 151 14.676 13.389 19.638 1.00 0.00 H ATOM 105 HB2 TRP A 151 13.077 12.503 17.811 1.00 0.00 H ATOM 106 HB3 TRP A 151 13.002 11.764 19.427 1.00 0.00 H ATOM 107 HE1 TRP A 151 8.441 12.126 20.027 1.00 0.00 H ATOM 108 HD1 TRP A 151 10.863 11.454 20.514 1.00 0.00 H ATOM 109 HZ2 TRP A 151 7.072 13.766 18.383 1.00 0.00 H ATOM 110 HH2 TRP A 151 7.355 15.413 16.531 1.00 0.00 H ATOM 111 HZ3 TRP A 151 9.626 15.951 15.683 1.00 0.00 H ATOM 112 HE3 TRP A 151 11.648 14.859 16.640 1.00 0.00 H ATOM 113 H TRP A 151 12.072 14.238 20.765 1.00 0.00 H ATOM 114 N TYR A 152 13.462 16.101 18.556 1.00 10.20 N ATOM 115 CA TYR A 152 13.568 17.138 17.578 1.00 11.53 C ATOM 116 C TYR A 152 14.827 17.924 17.895 1.00 14.31 C ATOM 117 O TYR A 152 14.956 18.458 18.996 1.00 17.27 O ATOM 118 CB TYR A 152 12.343 18.032 17.667 1.00 11.57 C ATOM 119 CG TYR A 152 12.449 19.167 16.661 1.00 16.47 C ATOM 120 CD1 TYR A 152 12.373 18.865 15.286 1.00 21.65 C ATOM 121 CD2 TYR A 152 12.642 20.487 17.077 1.00 15.29 C ATOM 122 CE1 TYR A 152 12.489 19.874 14.316 1.00 21.56 C ATOM 123 CE2 TYR A 152 12.749 21.497 16.113 1.00 16.96 C ATOM 124 CZ TYR A 152 12.671 21.184 14.747 1.00 20.56 C ATOM 125 OH TYR A 152 12.740 22.164 13.782 1.00 27.86 O ATOM 126 HA TYR A 152 13.622 16.733 16.567 1.00 0.00 H ATOM 127 HB3 TYR A 152 12.272 18.447 18.672 1.00 0.00 H ATOM 128 HB2 TYR A 152 11.451 17.443 17.454 1.00 0.00 H ATOM 129 HD2 TYR A 152 12.708 20.727 18.138 1.00 0.00 H ATOM 130 HE2 TYR A 152 12.894 22.531 16.425 1.00 0.00 H ATOM 131 HE1 TYR A 152 12.438 19.637 13.253 1.00 0.00 H ATOM 132 HD1 TYR A 152 12.222 17.833 14.971 1.00 0.00 H ATOM 133 HH TYR A 152 12.667 21.749 12.886 1.00 0.00 H ATOM 134 H TYR A 152 13.034 16.331 19.475 1.00 0.00 H ATOM 135 N PHE A 153 15.785 18.022 16.966 1.00 14.52 N ATOM 136 CA PHE A 153 17.049 18.722 17.139 1.00 12.83 C ATOM 137 C PHE A 153 17.218 20.028 16.366 1.00 12.34 C ATOM 138 O PHE A 153 18.329 20.535 16.319 1.00 11.93 O ATOM 139 CB PHE A 153 18.162 17.747 16.780 1.00 11.66 C ATOM 140 CG PHE A 153 18.451 16.785 17.929 1.00 9.23 C ATOM 141 CD1 PHE A 153 17.521 15.809 18.316 1.00 12.65 C ATOM 142 CD2 PHE A 153 19.671 16.889 18.606 1.00 12.36 C ATOM 143 CE1 PHE A 153 17.804 14.944 19.372 1.00 9.47 C ATOM 144 CE2 PHE A 153 19.953 16.014 19.667 1.00 12.99 C ATOM 145 CZ PHE A 153 19.021 15.049 20.036 1.00 14.35 C ATOM 146 HA PHE A 153 17.082 19.044 18.180 1.00 0.00 H ATOM 147 HB2 PHE A 153 17.862 17.173 15.903 1.00 0.00 H ATOM 148 HB3 PHE A 153 19.067 18.310 16.552 1.00 0.00 H ATOM 149 HD2 PHE A 153 20.399 17.645 18.311 1.00 0.00 H ATOM 150 HE2 PHE A 153 20.900 16.090 20.201 1.00 0.00 H ATOM 151 HZ PHE A 153 19.248 14.367 20.856 1.00 0.00 H ATOM 152 HE1 PHE A 153 17.077 14.191 19.675 1.00 0.00 H ATOM 153 HD1 PHE A 153 16.571 15.726 17.788 1.00 0.00 H ATOM 154 H PHE A 153 15.613 17.562 16.049 1.00 0.00 H ATOM 155 N GLY A 154 16.173 20.619 15.760 1.00 13.73 N ATOM 156 CA GLY A 154 16.231 21.891 15.053 1.00 12.72 C ATOM 157 C GLY A 154 16.982 21.728 13.766 1.00 16.60 C ATOM 158 O GLY A 154 17.057 20.635 13.186 1.00 17.19 O ATOM 159 HA3 GLY A 154 16.738 22.628 15.676 1.00 0.00 H ATOM 160 HA2 GLY A 154 15.218 22.232 14.840 1.00 0.00 H ATOM 161 H GLY A 154 15.255 20.131 15.799 1.00 0.00 H ATOM 162 N LYS A 155 17.565 22.835 13.350 1.00 15.72 N ATOM 163 CA LYS A 155 18.285 22.888 12.099 1.00 18.92 C ATOM 164 C LYS A 155 19.759 22.585 12.342 1.00 19.77 C ATOM 165 O LYS A 155 20.565 23.472 12.633 1.00 20.37 O ATOM 166 CB LYS A 155 18.052 24.288 11.510 1.00 21.47 C ATOM 167 CG LYS A 155 18.597 24.601 10.109 1.00 27.90 C ATOM 168 CD LYS A 155 18.242 26.069 9.899 1.00 38.67 C ATOM 169 CE LYS A 155 19.097 26.821 8.880 1.00 44.75 C ATOM 170 NZ LYS A 155 18.844 26.382 7.516 1.00 51.98 N ATOM 171 HA LYS A 155 17.934 22.140 11.388 1.00 0.00 H ATOM 172 HB2 LYS A 155 16.974 24.447 11.478 1.00 0.00 H ATOM 173 HB3 LYS A 155 18.503 25.004 12.197 1.00 0.00 H ATOM 174 HG2 LYS A 155 19.676 24.453 10.070 1.00 0.00 H ATOM 175 HG3 LYS A 155 18.118 23.974 9.357 1.00 0.00 H ATOM 176 HD2 LYS A 155 17.205 26.118 9.567 1.00 0.00 H ATOM 177 HD3 LYS A 155 18.340 26.577 10.858 1.00 0.00 H ATOM 178 HE2 LYS A 155 20.149 26.654 9.113 1.00 0.00 H ATOM 179 HE3 LYS A 155 18.875 27.886 8.953 1.00 0.00 H ATOM 180 HZ1 LYS A 155 19.061 25.368 7.434 1.00 0.00 H ATOM 181 HZ2 LYS A 155 17.844 26.544 7.281 1.00 0.00 H ATOM 182 HZ3 LYS A 155 19.447 26.921 6.862 1.00 0.00 H ATOM 183 H LYS A 155 17.505 23.691 13.937 1.00 0.00 H ATOM 184 N ILE A 156 20.116 21.304 12.352 1.00 21.34 N ATOM 185 CA ILE A 156 21.517 20.905 12.467 1.00 20.01 C ATOM 186 C ILE A 156 21.958 20.346 11.115 1.00 21.35 C ATOM 187 O ILE A 156 21.110 20.009 10.271 1.00 25.52 O ATOM 188 CB ILE A 156 21.752 19.822 13.575 1.00 16.50 C ATOM 189 CG1 ILE A 156 20.833 18.635 13.472 1.00 16.34 C ATOM 190 CG2 ILE A 156 21.581 20.509 14.919 1.00 16.19 C ATOM 191 CD1 ILE A 156 21.276 17.441 14.366 1.00 16.41 C ATOM 192 HA ILE A 156 22.099 21.781 12.754 1.00 0.00 H ATOM 193 HB ILE A 156 22.755 19.415 13.449 1.00 0.00 H ATOM 194 HG12 ILE A 156 19.832 18.943 13.775 1.00 0.00 H ATOM 195 HG13 ILE A 156 20.811 18.302 12.434 1.00 0.00 H ATOM 196 HD11 ILE A 156 22.272 17.115 14.067 1.00 0.00 H ATOM 197 HD12 ILE A 156 21.293 17.757 15.409 1.00 0.00 H ATOM 198 HD13 ILE A 156 20.572 16.618 14.246 1.00 0.00 H ATOM 199 HG21 ILE A 156 22.310 21.315 15.009 1.00 0.00 H ATOM 200 HG22 ILE A 156 20.574 20.919 14.991 1.00 0.00 H ATOM 201 HG23 ILE A 156 21.738 19.785 15.718 1.00 0.00 H ATOM 202 H ILE A 156 19.382 20.571 12.276 1.00 0.00 H ATOM 203 N THR A 157 23.248 20.224 10.838 1.00 19.20 N ATOM 204 CA THR A 157 23.696 19.663 9.564 1.00 18.11 C ATOM 205 C THR A 157 23.671 18.145 9.513 1.00 15.46 C ATOM 206 O THR A 157 23.687 17.499 10.572 1.00 14.79 O ATOM 207 CB THR A 157 25.119 20.113 9.294 1.00 21.02 C ATOM 208 OG1 THR A 157 25.960 19.627 10.350 1.00 24.92 O ATOM 209 CG2 THR A 157 25.206 21.615 9.258 1.00 21.38 C ATOM 210 HA THR A 157 22.995 20.026 8.813 1.00 0.00 H ATOM 211 HB THR A 157 25.438 19.720 8.329 1.00 0.00 H ATOM 212 HG1 THR A 157 25.648 19.994 11.215 1.00 0.00 H ATOM 213 HG23 THR A 157 24.570 21.995 8.459 1.00 0.00 H ATOM 214 HG21 THR A 157 24.872 22.020 10.213 1.00 0.00 H ATOM 215 HG22 THR A 157 26.238 21.914 9.076 1.00 0.00 H ATOM 216 H THR A 157 23.953 20.532 11.538 1.00 0.00 H ATOM 217 N ARG A 158 23.773 17.516 8.346 1.00 16.07 N ATOM 218 CA ARG A 158 23.875 16.077 8.288 1.00 15.10 C ATOM 219 C ARG A 158 25.126 15.654 9.036 1.00 17.75 C ATOM 220 O ARG A 158 25.074 14.672 9.781 1.00 15.86 O ATOM 221 CB ARG A 158 23.964 15.605 6.842 1.00 14.77 C ATOM 222 CG ARG A 158 24.241 14.090 6.763 1.00 17.73 C ATOM 223 CD ARG A 158 24.477 13.631 5.320 1.00 16.74 C ATOM 224 NE ARG A 158 23.193 13.609 4.694 1.00 17.96 N ATOM 225 CZ ARG A 158 22.757 12.661 3.882 1.00 11.29 C ATOM 226 NH1 ARG A 158 23.449 11.616 3.492 1.00 11.90 N ATOM 227 NH2 ARG A 158 21.489 12.728 3.572 1.00 15.44 N ATOM 228 HA ARG A 158 22.989 15.632 8.742 1.00 0.00 H ATOM 229 HB2 ARG A 158 23.021 15.821 6.339 1.00 0.00 H ATOM 230 HB3 ARG A 158 24.771 16.140 6.342 1.00 0.00 H ATOM 231 HG2 ARG A 158 25.126 13.861 7.356 1.00 0.00 H ATOM 232 HG3 ARG A 158 23.384 13.552 7.169 1.00 0.00 H ATOM 233 HD2 ARG A 158 24.921 12.636 5.308 1.00 0.00 H ATOM 234 HD3 ARG A 158 25.137 14.328 4.804 1.00 0.00 H ATOM 235 HE ARG A 158 22.550 14.402 4.893 1.00 0.00 H ATOM 236 HH12 ARG A 158 23.021 10.919 2.849 1.00 0.00 H ATOM 237 HH11 ARG A 158 24.425 11.485 3.826 1.00 0.00 H ATOM 238 HH22 ARG A 158 21.071 12.018 2.938 1.00 0.00 H ATOM 239 HH21 ARG A 158 20.899 13.491 3.960 1.00 0.00 H ATOM 240 H ARG A 158 23.779 18.067 7.464 1.00 0.00 H ATOM 241 N ARG A 159 26.256 16.362 8.962 1.00 18.74 N ATOM 242 CA ARG A 159 27.492 15.933 9.620 1.00 22.19 C ATOM 243 C ARG A 159 27.343 15.965 11.142 1.00 19.08 C ATOM 244 O ARG A 159 27.795 15.075 11.874 1.00 17.10 O ATOM 245 CB ARG A 159 28.619 16.857 9.149 1.00 31.75 C ATOM 246 CG ARG A 159 30.031 16.439 9.488 1.00 47.59 C ATOM 247 CD ARG A 159 30.726 17.568 10.280 1.00 63.29 C ATOM 248 NE ARG A 159 31.000 17.194 11.679 1.00 76.64 N ATOM 249 CZ ARG A 159 30.676 17.956 12.742 1.00 81.49 C ATOM 250 NH1 ARG A 159 30.066 19.145 12.638 1.00 83.53 N ATOM 251 NH2 ARG A 159 30.963 17.497 13.956 1.00 85.93 N ATOM 252 HA ARG A 159 27.723 14.902 9.352 1.00 0.00 H ATOM 253 HB2 ARG A 159 28.550 16.935 8.064 1.00 0.00 H ATOM 254 HB3 ARG A 159 28.449 17.837 9.594 1.00 0.00 H ATOM 255 HG2 ARG A 159 30.007 15.532 10.093 1.00 0.00 H ATOM 256 HG3 ARG A 159 30.584 16.246 8.569 1.00 0.00 H ATOM 257 HD2 ARG A 159 30.082 18.447 10.273 1.00 0.00 H ATOM 258 HD3 ARG A 159 31.670 17.807 9.791 1.00 0.00 H ATOM 259 HE ARG A 159 31.473 16.285 11.857 1.00 0.00 H ATOM 260 HH12 ARG A 159 29.840 19.690 13.494 1.00 0.00 H ATOM 261 HH11 ARG A 159 29.819 19.522 11.701 1.00 0.00 H ATOM 262 HH22 ARG A 159 30.725 18.063 14.796 1.00 0.00 H ATOM 263 HH21 ARG A 159 31.426 16.572 14.066 1.00 0.00 H ATOM 264 H ARG A 159 26.258 17.249 8.418 1.00 0.00 H ATOM 265 N GLU A 160 26.668 16.986 11.651 1.00 16.33 N ATOM 266 CA GLU A 160 26.423 17.029 13.055 1.00 16.32 C ATOM 267 C GLU A 160 25.469 15.923 13.441 1.00 15.16 C ATOM 268 O GLU A 160 25.728 15.265 14.443 1.00 15.72 O ATOM 269 CB GLU A 160 25.832 18.356 13.442 1.00 21.14 C ATOM 270 CG GLU A 160 25.670 18.397 14.984 1.00 32.07 C ATOM 271 CD GLU A 160 26.930 18.401 15.882 1.00 36.08 C ATOM 272 OE1 GLU A 160 28.071 18.397 15.394 1.00 39.83 O ATOM 273 OE2 GLU A 160 26.745 18.446 17.100 1.00 38.56 O ATOM 274 HA GLU A 160 27.370 16.895 13.579 1.00 0.00 H ATOM 275 HB2 GLU A 160 26.494 19.160 13.121 1.00 0.00 H ATOM 276 HB3 GLU A 160 24.858 18.477 12.967 1.00 0.00 H ATOM 277 HG2 GLU A 160 25.109 19.301 15.220 1.00 0.00 H ATOM 278 HG3 GLU A 160 25.083 17.523 15.265 1.00 0.00 H ATOM 279 H GLU A 160 26.321 17.747 11.033 1.00 0.00 H ATOM 280 N SER A 161 24.436 15.603 12.675 1.00 11.58 N ATOM 281 CA SER A 161 23.528 14.567 13.138 1.00 10.65 C ATOM 282 C SER A 161 24.229 13.238 13.178 1.00 9.44 C ATOM 283 O SER A 161 23.959 12.427 14.051 1.00 12.39 O ATOM 284 CB SER A 161 22.325 14.444 12.231 1.00 10.51 C ATOM 285 OG SER A 161 22.703 13.874 10.977 1.00 14.92 O ATOM 286 HA SER A 161 23.197 14.850 14.137 1.00 0.00 H ATOM 287 HB2 SER A 161 21.899 15.433 12.062 1.00 0.00 H ATOM 288 HB3 SER A 161 21.580 13.805 12.706 1.00 0.00 H ATOM 289 HG SER A 161 23.377 14.454 10.542 1.00 0.00 H ATOM 290 H SER A 161 24.279 16.081 11.765 1.00 0.00 H ATOM 291 N GLU A 162 25.155 12.961 12.269 1.00 11.30 N ATOM 292 CA GLU A 162 25.841 11.677 12.256 1.00 14.66 C ATOM 293 C GLU A 162 26.843 11.610 13.389 1.00 17.65 C ATOM 294 O GLU A 162 27.089 10.539 13.948 1.00 17.79 O ATOM 295 CB GLU A 162 26.611 11.433 10.979 1.00 14.63 C ATOM 296 CG GLU A 162 25.610 11.335 9.826 1.00 17.27 C ATOM 297 CD GLU A 162 26.200 10.866 8.522 1.00 22.69 C ATOM 298 OE1 GLU A 162 27.423 10.768 8.421 1.00 30.45 O ATOM 299 OE2 GLU A 162 25.452 10.580 7.593 1.00 23.62 O ATOM 300 HA GLU A 162 25.060 10.923 12.354 1.00 0.00 H ATOM 301 HB2 GLU A 162 27.300 12.258 10.800 1.00 0.00 H ATOM 302 HB3 GLU A 162 27.173 10.503 11.059 1.00 0.00 H ATOM 303 HG2 GLU A 162 24.825 10.636 10.115 1.00 0.00 H ATOM 304 HG3 GLU A 162 25.176 12.322 9.668 1.00 0.00 H ATOM 305 H GLU A 162 25.395 13.675 11.552 1.00 0.00 H ATOM 306 N ARG A 163 27.369 12.765 13.787 1.00 17.87 N ATOM 307 CA ARG A 163 28.304 12.809 14.893 1.00 20.06 C ATOM 308 C ARG A 163 27.556 12.507 16.206 1.00 19.48 C ATOM 309 O ARG A 163 28.025 11.779 17.079 1.00 19.79 O ATOM 310 CB ARG A 163 28.892 14.184 14.831 1.00 25.10 C ATOM 311 CG ARG A 163 30.292 14.140 15.314 1.00 37.07 C ATOM 312 CD ARG A 163 30.447 15.297 16.293 1.00 46.47 C ATOM 313 NE ARG A 163 29.497 15.188 17.397 1.00 54.62 N ATOM 314 CZ ARG A 163 29.137 16.248 18.131 1.00 59.97 C ATOM 315 NH1 ARG A 163 29.635 17.465 17.875 1.00 64.50 N ATOM 316 NH2 ARG A 163 28.275 16.088 19.146 1.00 61.31 N ATOM 317 HA ARG A 163 29.098 12.064 14.842 1.00 0.00 H ATOM 318 HB2 ARG A 163 28.873 14.543 13.802 1.00 0.00 H ATOM 319 HB3 ARG A 163 28.310 14.858 15.460 1.00 0.00 H ATOM 320 HG2 ARG A 163 30.488 13.192 15.816 1.00 0.00 H ATOM 321 HG3 ARG A 163 30.983 14.257 14.479 1.00 0.00 H ATOM 322 HD2 ARG A 163 30.273 16.235 15.765 1.00 0.00 H ATOM 323 HD3 ARG A 163 31.460 15.290 16.694 1.00 0.00 H ATOM 324 HE ARG A 163 29.088 14.258 17.620 1.00 0.00 H ATOM 325 HH12 ARG A 163 29.345 18.278 18.455 1.00 0.00 H ATOM 326 HH11 ARG A 163 30.312 17.597 17.096 1.00 0.00 H ATOM 327 HH22 ARG A 163 27.991 16.907 19.721 1.00 0.00 H ATOM 328 HH21 ARG A 163 27.891 15.145 19.358 1.00 0.00 H ATOM 329 H ARG A 163 27.107 13.645 13.299 1.00 0.00 H ATOM 330 N LEU A 164 26.354 13.034 16.371 1.00 16.08 N ATOM 331 CA LEU A 164 25.516 12.780 17.518 1.00 14.35 C ATOM 332 C LEU A 164 25.033 11.338 17.574 1.00 16.20 C ATOM 333 O LEU A 164 25.021 10.689 18.641 1.00 18.01 O ATOM 334 CB LEU A 164 24.312 13.680 17.467 1.00 12.73 C ATOM 335 CG LEU A 164 24.547 15.146 17.593 1.00 14.51 C ATOM 336 CD1 LEU A 164 23.294 15.888 17.205 1.00 15.30 C ATOM 337 CD2 LEU A 164 24.916 15.476 19.045 1.00 19.77 C ATOM 338 HA LEU A 164 26.118 12.974 18.406 1.00 0.00 H ATOM 339 HB2 LEU A 164 23.816 13.509 16.512 1.00 0.00 H ATOM 340 HB3 LEU A 164 23.647 13.384 18.279 1.00 0.00 H ATOM 341 HG LEU A 164 25.362 15.447 16.935 1.00 0.00 H ATOM 342 HD21 LEU A 164 24.099 15.178 19.703 1.00 0.00 H ATOM 343 HD22 LEU A 164 25.821 14.935 19.320 1.00 0.00 H ATOM 344 HD23 LEU A 164 25.088 16.548 19.140 1.00 0.00 H ATOM 345 HD11 LEU A 164 23.035 15.647 16.174 1.00 0.00 H ATOM 346 HD12 LEU A 164 22.479 15.591 17.864 1.00 0.00 H ATOM 347 HD13 LEU A 164 23.465 16.961 17.297 1.00 0.00 H ATOM 348 H LEU A 164 25.992 13.668 15.631 1.00 0.00 H ATOM 349 N LEU A 165 24.657 10.768 16.427 1.00 14.44 N ATOM 350 CA LEU A 165 24.069 9.440 16.455 1.00 16.53 C ATOM 351 C LEU A 165 25.028 8.274 16.626 1.00 16.16 C ATOM 352 O LEU A 165 24.782 7.285 17.319 1.00 15.62 O ATOM 353 CB LEU A 165 23.226 9.284 15.165 1.00 15.94 C ATOM 354 CG LEU A 165 21.908 10.050 15.054 1.00 13.59 C ATOM 355 CD1 LEU A 165 21.331 9.905 13.654 1.00 11.23 C ATOM 356 CD2 LEU A 165 20.891 9.454 16.001 1.00 12.40 C ATOM 357 HA LEU A 165 23.466 9.384 17.361 1.00 0.00 H ATOM 358 HB2 LEU A 165 23.853 9.600 14.331 1.00 0.00 H ATOM 359 HB3 LEU A 165 22.992 8.225 15.060 1.00 0.00 H ATOM 360 HG LEU A 165 22.108 11.096 15.288 1.00 0.00 H ATOM 361 HD21 LEU A 165 20.725 8.408 15.742 1.00 0.00 H ATOM 362 HD22 LEU A 165 21.264 9.522 17.023 1.00 0.00 H ATOM 363 HD23 LEU A 165 19.953 10.004 15.918 1.00 0.00 H ATOM 364 HD11 LEU A 165 22.039 10.305 12.928 1.00 0.00 H ATOM 365 HD12 LEU A 165 21.150 8.851 13.444 1.00 0.00 H ATOM 366 HD13 LEU A 165 20.393 10.456 13.590 1.00 0.00 H ATOM 367 H LEU A 165 24.784 11.269 15.524 1.00 0.00 H ATOM 368 N LEU A 166 26.174 8.450 16.024 1.00 18.48 N ATOM 369 CA LEU A 166 27.157 7.414 15.902 1.00 25.74 C ATOM 370 C LEU A 166 28.136 7.341 17.030 1.00 31.27 C ATOM 371 O LEU A 166 29.326 7.476 16.794 1.00 36.14 O ATOM 372 CB LEU A 166 27.891 7.619 14.580 1.00 22.67 C ATOM 373 CG LEU A 166 27.611 6.760 13.343 1.00 26.02 C ATOM 374 CD1 LEU A 166 26.279 6.063 13.404 1.00 25.61 C ATOM 375 CD2 LEU A 166 27.726 7.676 12.154 1.00 23.37 C ATOM 376 HA LEU A 166 26.627 6.462 15.934 1.00 0.00 H ATOM 377 HB2 LEU A 166 27.699 8.650 14.283 1.00 0.00 H ATOM 378 HB3 LEU A 166 28.952 7.497 14.800 1.00 0.00 H ATOM 379 HG LEU A 166 28.333 5.946 13.276 1.00 0.00 H ATOM 380 HD21 LEU A 166 26.996 8.480 12.245 1.00 0.00 H ATOM 381 HD22 LEU A 166 28.730 8.098 12.118 1.00 0.00 H ATOM 382 HD23 LEU A 166 27.535 7.111 11.242 1.00 0.00 H ATOM 383 HD11 LEU A 166 26.252 5.410 14.276 1.00 0.00 H ATOM 384 HD12 LEU A 166 25.485 6.806 13.480 1.00 0.00 H ATOM 385 HD13 LEU A 166 26.139 5.471 12.500 1.00 0.00 H ATOM 386 H LEU A 166 26.382 9.383 15.615 1.00 0.00 H ATOM 387 N ASN A 167 27.742 7.244 18.268 1.00 37.20 N ATOM 388 CA ASN A 167 28.760 6.976 19.234 1.00 41.10 C ATOM 389 C ASN A 167 28.535 5.526 19.649 1.00 44.30 C ATOM 390 O ASN A 167 27.570 4.873 19.219 1.00 46.33 O ATOM 391 CB ASN A 167 28.633 7.988 20.347 1.00 45.15 C ATOM 392 CG ASN A 167 27.376 7.902 21.136 1.00 51.06 C ATOM 393 OD1 ASN A 167 26.963 6.806 21.530 1.00 56.45 O ATOM 394 ND2 ASN A 167 26.738 9.038 21.375 1.00 55.88 N ATOM 395 HA ASN A 167 29.783 7.077 18.873 1.00 0.00 H ATOM 396 HB2 ASN A 167 29.471 7.847 21.030 1.00 0.00 H ATOM 397 HB3 ASN A 167 28.688 8.984 19.907 1.00 0.00 H ATOM 398 HD22 ASN A 167 27.126 9.936 21.022 1.00 0.00 H ATOM 399 HD21 ASN A 167 25.849 9.032 21.915 1.00 0.00 H ATOM 400 H ASN A 167 26.744 7.355 18.538 1.00 0.00 H ATOM 401 N ALA A 168 29.394 4.980 20.498 1.00 46.75 N ATOM 402 CA ALA A 168 29.295 3.562 20.818 1.00 48.08 C ATOM 403 C ALA A 168 28.397 3.177 21.989 1.00 46.94 C ATOM 404 O ALA A 168 28.590 2.140 22.638 1.00 50.10 O ATOM 405 CB ALA A 168 30.716 3.009 21.073 1.00 51.08 C ATOM 406 HA ALA A 168 28.809 3.119 19.948 1.00 0.00 H ATOM 407 HB1 ALA A 168 31.323 3.145 20.178 1.00 0.00 H ATOM 408 HB2 ALA A 168 31.169 3.546 21.906 1.00 0.00 H ATOM 409 HB3 ALA A 168 30.654 1.948 21.314 1.00 0.00 H ATOM 410 H ALA A 168 30.137 5.562 20.935 1.00 0.00 H ATOM 411 N GLU A 169 27.442 4.011 22.359 1.00 41.99 N ATOM 412 CA GLU A 169 26.497 3.615 23.373 1.00 36.51 C ATOM 413 C GLU A 169 25.163 3.598 22.712 1.00 31.50 C ATOM 414 O GLU A 169 24.322 2.804 23.110 1.00 27.93 O ATOM 415 CB GLU A 169 26.376 4.580 24.477 1.00 40.86 C ATOM 416 CG GLU A 169 27.685 4.733 25.165 1.00 48.92 C ATOM 417 CD GLU A 169 27.536 5.820 26.184 1.00 54.90 C ATOM 418 OE1 GLU A 169 26.831 5.599 27.174 1.00 58.33 O ATOM 419 OE2 GLU A 169 28.110 6.888 25.955 1.00 59.02 O ATOM 420 HA GLU A 169 26.831 2.663 23.784 1.00 0.00 H ATOM 421 HB2 GLU A 169 26.062 5.545 24.080 1.00 0.00 H ATOM 422 HB3 GLU A 169 25.633 4.222 25.190 1.00 0.00 H ATOM 423 HG2 GLU A 169 27.959 3.799 25.655 1.00 0.00 H ATOM 424 HG3 GLU A 169 28.456 5.003 24.443 1.00 0.00 H ATOM 425 H GLU A 169 27.372 4.951 21.920 1.00 0.00 H ATOM 426 N ASN A 170 24.940 4.495 21.745 1.00 26.48 N ATOM 427 CA ASN A 170 23.659 4.584 21.062 1.00 23.39 C ATOM 428 C ASN A 170 23.347 3.255 20.361 1.00 20.37 C ATOM 429 O ASN A 170 24.155 2.780 19.557 1.00 19.71 O ATOM 430 CB ASN A 170 23.704 5.748 20.065 1.00 21.48 C ATOM 431 CG ASN A 170 23.653 7.138 20.705 1.00 21.17 C ATOM 432 OD1 ASN A 170 23.375 7.297 21.890 1.00 20.60 O ATOM 433 ND2 ASN A 170 23.921 8.239 20.016 1.00 20.01 N ATOM 434 HA ASN A 170 22.862 4.774 21.781 1.00 0.00 H ATOM 435 HB2 ASN A 170 24.629 5.671 19.493 1.00 0.00 H ATOM 436 HB3 ASN A 170 22.852 5.652 19.391 1.00 0.00 H ATOM 437 HD22 ASN A 170 24.164 8.175 19.007 1.00 0.00 H ATOM 438 HD21 ASN A 170 23.888 9.167 20.485 1.00 0.00 H ATOM 439 H ASN A 170 25.704 5.147 21.474 1.00 0.00 H ATOM 440 N PRO A 171 22.256 2.563 20.726 1.00 19.09 N ATOM 441 CA PRO A 171 21.795 1.366 20.042 1.00 18.04 C ATOM 442 C PRO A 171 21.377 1.569 18.602 1.00 17.20 C ATOM 443 O PRO A 171 21.142 2.694 18.166 1.00 17.05 O ATOM 444 CB PRO A 171 20.657 0.856 20.883 1.00 18.64 C ATOM 445 CG PRO A 171 20.112 2.079 21.547 1.00 19.33 C ATOM 446 CD PRO A 171 21.347 2.927 21.825 1.00 17.95 C ATOM 447 HA PRO A 171 22.617 0.656 19.952 1.00 0.00 H ATOM 448 HD3 PRO A 171 21.106 3.990 21.799 1.00 0.00 H ATOM 449 HD2 PRO A 171 21.783 2.678 22.793 1.00 0.00 H ATOM 450 HG3 PRO A 171 19.601 1.822 22.475 1.00 0.00 H ATOM 451 HG2 PRO A 171 19.421 2.604 20.887 1.00 0.00 H ATOM 452 HB2 PRO A 171 19.898 0.383 20.260 1.00 0.00 H ATOM 453 HB3 PRO A 171 21.014 0.141 21.624 1.00 0.00 H ATOM 454 N ARG A 172 21.262 0.470 17.857 1.00 15.80 N ATOM 455 CA ARG A 172 20.759 0.429 16.497 1.00 15.00 C ATOM 456 C ARG A 172 19.362 1.026 16.567 1.00 14.59 C ATOM 457 O ARG A 172 18.592 0.693 17.489 1.00 16.22 O ATOM 458 CB ARG A 172 20.679 -1.006 16.031 1.00 14.74 C ATOM 459 CG ARG A 172 21.917 -1.604 15.443 1.00 17.37 C ATOM 460 CD ARG A 172 22.848 -2.391 16.335 1.00 20.80 C ATOM 461 NE ARG A 172 22.839 -3.724 15.813 1.00 19.56 N ATOM 462 CZ ARG A 172 23.868 -4.564 15.779 1.00 20.24 C ATOM 463 NH1 ARG A 172 25.089 -4.343 16.229 1.00 21.73 N ATOM 464 NH2 ARG A 172 23.634 -5.697 15.146 1.00 22.74 N ATOM 465 HA ARG A 172 21.401 0.972 15.803 1.00 0.00 H ATOM 466 HB2 ARG A 172 20.397 -1.615 16.890 1.00 0.00 H ATOM 467 HB3 ARG A 172 19.896 -1.062 15.275 1.00 0.00 H ATOM 468 HG2 ARG A 172 21.599 -2.273 14.643 1.00 0.00 H ATOM 469 HG3 ARG A 172 22.498 -0.784 15.020 1.00 0.00 H ATOM 470 HD2 ARG A 172 22.489 -2.382 17.364 1.00 0.00 H ATOM 471 HD3 ARG A 172 23.854 -1.974 16.299 1.00 0.00 H ATOM 472 HE ARG A 172 21.939 -4.069 15.422 1.00 0.00 H ATOM 473 HH12 ARG A 172 25.816 -5.082 16.146 1.00 0.00 H ATOM 474 HH11 ARG A 172 25.325 -3.429 16.667 1.00 0.00 H ATOM 475 HH22 ARG A 172 24.383 -6.414 15.070 1.00 0.00 H ATOM 476 HH21 ARG A 172 22.700 -5.873 14.723 1.00 0.00 H ATOM 477 H ARG A 172 21.557 -0.431 18.285 1.00 0.00 H ATOM 478 N GLY A 173 19.010 1.907 15.643 1.00 12.09 N ATOM 479 CA GLY A 173 17.697 2.500 15.652 1.00 11.69 C ATOM 480 C GLY A 173 17.631 3.755 16.507 1.00 14.67 C ATOM 481 O GLY A 173 16.518 4.192 16.835 1.00 14.74 O ATOM 482 HA3 GLY A 173 16.987 1.772 16.044 1.00 0.00 H ATOM 483 HA2 GLY A 173 17.423 2.759 14.629 1.00 0.00 H ATOM 484 H GLY A 173 19.689 2.174 14.902 1.00 0.00 H ATOM 485 N THR A 174 18.748 4.324 16.943 1.00 11.20 N ATOM 486 CA THR A 174 18.698 5.612 17.615 1.00 11.58 C ATOM 487 C THR A 174 18.394 6.631 16.521 1.00 12.25 C ATOM 488 O THR A 174 18.874 6.486 15.392 1.00 11.00 O ATOM 489 CB THR A 174 20.046 5.938 18.290 1.00 11.88 C ATOM 490 OG1 THR A 174 20.233 4.977 19.344 1.00 14.94 O ATOM 491 CG2 THR A 174 20.082 7.319 18.933 1.00 10.77 C ATOM 492 HA THR A 174 17.945 5.619 18.403 1.00 0.00 H ATOM 493 HB THR A 174 20.818 5.909 17.521 1.00 0.00 H ATOM 494 HG1 THR A 174 20.246 4.065 18.959 1.00 0.00 H ATOM 495 HG23 THR A 174 19.943 8.080 18.165 1.00 0.00 H ATOM 496 HG21 THR A 174 19.283 7.396 19.671 1.00 0.00 H ATOM 497 HG22 THR A 174 21.045 7.466 19.422 1.00 0.00 H ATOM 498 H THR A 174 19.662 3.847 16.803 1.00 0.00 H ATOM 499 N PHE A 175 17.617 7.669 16.813 1.00 13.06 N ATOM 500 CA PHE A 175 17.124 8.581 15.788 1.00 13.94 C ATOM 501 C PHE A 175 16.943 10.015 16.300 1.00 13.59 C ATOM 502 O PHE A 175 16.874 10.277 17.521 1.00 12.73 O ATOM 503 CB PHE A 175 15.743 8.054 15.242 1.00 10.57 C ATOM 504 CG PHE A 175 14.603 8.222 16.240 1.00 12.05 C ATOM 505 CD1 PHE A 175 14.438 7.294 17.294 1.00 10.19 C ATOM 506 CD2 PHE A 175 13.762 9.326 16.131 1.00 11.47 C ATOM 507 CE1 PHE A 175 13.433 7.474 18.233 1.00 12.60 C ATOM 508 CE2 PHE A 175 12.751 9.499 17.086 1.00 12.14 C ATOM 509 CZ PHE A 175 12.590 8.582 18.130 1.00 11.64 C ATOM 510 HA PHE A 175 17.875 8.609 14.998 1.00 0.00 H ATOM 511 HB2 PHE A 175 15.495 8.605 14.335 1.00 0.00 H ATOM 512 HB3 PHE A 175 15.844 6.995 15.005 1.00 0.00 H ATOM 513 HD2 PHE A 175 13.887 10.042 15.319 1.00 0.00 H ATOM 514 HE2 PHE A 175 12.083 10.357 17.014 1.00 0.00 H ATOM 515 HZ PHE A 175 11.802 8.733 18.867 1.00 0.00 H ATOM 516 HE1 PHE A 175 13.303 6.757 19.044 1.00 0.00 H ATOM 517 HD1 PHE A 175 15.103 6.434 17.369 1.00 0.00 H ATOM 518 H PHE A 175 17.352 7.836 17.805 1.00 0.00 H ATOM 519 N LEU A 176 16.822 10.936 15.354 1.00 11.37 N ATOM 520 CA LEU A 176 16.449 12.309 15.633 1.00 9.36 C ATOM 521 C LEU A 176 15.716 12.830 14.395 1.00 10.08 C ATOM 522 O LEU A 176 15.834 12.270 13.277 1.00 11.57 O ATOM 523 CB LEU A 176 17.715 13.150 15.953 1.00 10.56 C ATOM 524 CG LEU A 176 18.906 13.207 15.003 1.00 10.70 C ATOM 525 CD1 LEU A 176 18.647 14.284 13.934 1.00 10.41 C ATOM 526 CD2 LEU A 176 20.177 13.602 15.773 1.00 9.88 C ATOM 527 HA LEU A 176 15.799 12.380 16.505 1.00 0.00 H ATOM 528 HB2 LEU A 176 17.375 14.178 16.080 1.00 0.00 H ATOM 529 HB3 LEU A 176 18.099 12.776 16.902 1.00 0.00 H ATOM 530 HG LEU A 176 19.037 12.227 14.545 1.00 0.00 H ATOM 531 HD21 LEU A 176 20.035 14.582 16.229 1.00 0.00 H ATOM 532 HD22 LEU A 176 20.374 12.864 16.550 1.00 0.00 H ATOM 533 HD23 LEU A 176 21.021 13.639 15.084 1.00 0.00 H ATOM 534 HD11 LEU A 176 17.745 14.032 13.377 1.00 0.00 H ATOM 535 HD12 LEU A 176 18.517 15.252 14.419 1.00 0.00 H ATOM 536 HD13 LEU A 176 19.496 14.329 13.252 1.00 0.00 H ATOM 537 H LEU A 176 17.003 10.661 14.367 1.00 0.00 H ATOM 538 N VAL A 177 14.966 13.915 14.584 1.00 11.14 N ATOM 539 CA VAL A 177 14.296 14.609 13.498 1.00 11.41 C ATOM 540 C VAL A 177 14.943 15.983 13.491 1.00 12.04 C ATOM 541 O VAL A 177 15.152 16.624 14.537 1.00 11.99 O ATOM 542 CB VAL A 177 12.749 14.760 13.731 1.00 12.28 C ATOM 543 CG1 VAL A 177 12.061 15.635 12.662 1.00 9.39 C ATOM 544 CG2 VAL A 177 12.128 13.362 13.682 1.00 7.66 C ATOM 545 HA VAL A 177 14.398 14.060 12.562 1.00 0.00 H ATOM 546 HB VAL A 177 12.603 15.248 14.694 1.00 0.00 H ATOM 547 HG11 VAL A 177 12.498 16.634 12.676 1.00 0.00 H ATOM 548 HG12 VAL A 177 12.206 15.187 11.679 1.00 0.00 H ATOM 549 HG13 VAL A 177 10.995 15.700 12.879 1.00 0.00 H ATOM 550 HG21 VAL A 177 12.322 12.914 12.707 1.00 0.00 H ATOM 551 HG22 VAL A 177 12.569 12.742 14.463 1.00 0.00 H ATOM 552 HG23 VAL A 177 11.052 13.438 13.841 1.00 0.00 H ATOM 553 H VAL A 177 14.856 14.281 15.551 1.00 0.00 H ATOM 554 N ARG A 178 15.333 16.431 12.316 1.00 10.16 N ATOM 555 CA ARG A 178 15.937 17.739 12.152 1.00 13.13 C ATOM 556 C ARG A 178 15.267 18.453 10.965 1.00 16.70 C ATOM 557 O ARG A 178 14.619 17.886 10.060 1.00 11.63 O ATOM 558 CB ARG A 178 17.434 17.605 11.878 1.00 10.08 C ATOM 559 CG ARG A 178 17.738 16.679 10.684 1.00 11.06 C ATOM 560 CD ARG A 178 19.234 16.457 10.517 1.00 9.62 C ATOM 561 NE ARG A 178 19.554 15.398 9.566 1.00 10.64 N ATOM 562 CZ ARG A 178 19.880 15.657 8.303 1.00 10.89 C ATOM 563 NH1 ARG A 178 19.897 16.901 7.851 1.00 11.87 N ATOM 564 NH2 ARG A 178 20.142 14.660 7.469 1.00 9.39 N ATOM 565 HA ARG A 178 15.797 18.314 13.068 1.00 0.00 H ATOM 566 HB2 ARG A 178 17.840 18.594 11.665 1.00 0.00 H ATOM 567 HB3 ARG A 178 17.917 17.199 12.767 1.00 0.00 H ATOM 568 HG2 ARG A 178 17.253 15.717 10.849 1.00 0.00 H ATOM 569 HG3 ARG A 178 17.343 17.132 9.775 1.00 0.00 H ATOM 570 HD2 ARG A 178 19.656 16.192 11.486 1.00 0.00 H ATOM 571 HD3 ARG A 178 19.686 17.385 10.167 1.00 0.00 H ATOM 572 HE ARG A 178 19.526 14.409 9.886 1.00 0.00 H ATOM 573 HH12 ARG A 178 20.154 17.091 6.861 1.00 0.00 H ATOM 574 HH11 ARG A 178 19.654 17.688 8.486 1.00 0.00 H ATOM 575 HH22 ARG A 178 20.397 14.862 6.481 1.00 0.00 H ATOM 576 HH21 ARG A 178 20.092 13.676 7.803 1.00 0.00 H ATOM 577 H ARG A 178 15.204 15.828 11.479 1.00 0.00 H ATOM 578 N GLU A 179 15.445 19.763 10.971 1.00 21.70 N ATOM 579 CA GLU A 179 14.913 20.588 9.917 1.00 28.19 C ATOM 580 C GLU A 179 15.894 20.548 8.754 1.00 30.58 C ATOM 581 O GLU A 179 17.106 20.519 8.981 1.00 31.27 O ATOM 582 CB GLU A 179 14.779 21.923 10.507 1.00 26.32 C ATOM 583 CG GLU A 179 14.039 22.846 9.621 1.00 30.95 C ATOM 584 CD GLU A 179 13.939 24.176 10.302 1.00 30.99 C ATOM 585 OE1 GLU A 179 13.201 24.287 11.279 1.00 37.24 O ATOM 586 OE2 GLU A 179 14.630 25.083 9.871 1.00 36.06 O ATOM 587 HA GLU A 179 13.948 20.262 9.530 1.00 0.00 H ATOM 588 HB2 GLU A 179 14.245 21.838 11.453 1.00 0.00 H ATOM 589 HB3 GLU A 179 15.774 22.330 10.688 1.00 0.00 H ATOM 590 HG2 GLU A 179 14.571 22.955 8.676 1.00 0.00 H ATOM 591 HG3 GLU A 179 13.040 22.453 9.431 1.00 0.00 H ATOM 592 H GLU A 179 15.977 20.204 11.748 1.00 0.00 H ATOM 593 N SER A 180 15.400 20.494 7.511 1.00 40.53 N ATOM 594 CA SER A 180 16.272 20.488 6.324 1.00 49.87 C ATOM 595 C SER A 180 17.067 21.781 6.301 1.00 54.36 C ATOM 596 O SER A 180 16.544 22.886 6.503 1.00 52.32 O ATOM 597 CB SER A 180 15.491 20.415 4.988 1.00 51.99 C ATOM 598 OG SER A 180 14.658 19.257 4.758 1.00 55.82 O ATOM 599 HA SER A 180 16.900 19.601 6.403 1.00 0.00 H ATOM 600 HB2 SER A 180 16.222 20.456 4.181 1.00 0.00 H ATOM 601 HB3 SER A 180 14.848 21.294 4.938 1.00 0.00 H ATOM 602 HG SER A 180 13.968 19.202 5.466 1.00 0.00 H ATOM 603 H SER A 180 14.369 20.455 7.379 1.00 0.00 H ATOM 604 N GLU A 181 18.355 21.496 6.231 1.00 63.99 N ATOM 605 CA GLU A 181 19.375 22.507 6.149 1.00 74.85 C ATOM 606 C GLU A 181 19.499 22.644 4.635 1.00 80.49 C ATOM 607 O GLU A 181 19.238 23.740 4.131 1.00 83.73 O ATOM 608 CB GLU A 181 20.672 21.987 6.769 1.00 77.15 C ATOM 609 CG GLU A 181 21.125 22.736 8.011 1.00 83.32 C ATOM 610 CD GLU A 181 21.856 24.067 7.841 1.00 87.64 C ATOM 611 OE1 GLU A 181 21.943 24.609 6.738 1.00 91.37 O ATOM 612 OE2 GLU A 181 22.356 24.568 8.847 1.00 88.68 O ATOM 613 HA GLU A 181 19.159 23.441 6.668 1.00 0.00 H ATOM 614 HB2 GLU A 181 20.525 20.941 7.037 1.00 0.00 H ATOM 615 HB3 GLU A 181 21.461 22.061 6.020 1.00 0.00 H ATOM 616 HG2 GLU A 181 20.235 22.933 8.609 1.00 0.00 H ATOM 617 HG3 GLU A 181 21.792 22.072 8.561 1.00 0.00 H ATOM 618 H GLU A 181 18.644 20.497 6.235 1.00 0.00 H TER 619 GLU A 181 ATOM 620 N ALA A 186 10.453 18.580 4.199 1.00 49.20 N ATOM 621 CA ALA A 186 10.690 19.734 5.058 1.00 44.91 C ATOM 622 C ALA A 186 11.568 19.332 6.247 1.00 39.44 C ATOM 623 O ALA A 186 12.448 20.096 6.663 1.00 38.41 O ATOM 624 CB ALA A 186 9.373 20.313 5.612 1.00 47.63 C ATOM 625 HA ALA A 186 11.185 20.490 4.449 1.00 0.00 H ATOM 626 HB1 ALA A 186 8.738 20.626 4.783 1.00 0.00 H ATOM 627 HB2 ALA A 186 8.859 19.550 6.196 1.00 0.00 H ATOM 628 HB3 ALA A 186 9.594 21.171 6.247 1.00 0.00 H ATOM 629 HN3 ALA A 186 9.972 17.837 4.744 1.00 0.00 H ATOM 630 HN2 ALA A 186 11.362 18.219 3.846 1.00 0.00 H ATOM 631 HN1 ALA A 186 9.856 18.864 3.396 1.00 0.00 H ATOM 632 N TYR A 187 11.325 18.145 6.817 1.00 31.50 N ATOM 633 CA TYR A 187 12.140 17.673 7.914 1.00 22.47 C ATOM 634 C TYR A 187 12.896 16.501 7.369 1.00 16.89 C ATOM 635 O TYR A 187 12.617 16.097 6.233 1.00 13.46 O ATOM 636 CB TYR A 187 11.234 17.285 9.092 1.00 21.27 C ATOM 637 CG TYR A 187 10.598 18.530 9.693 1.00 22.52 C ATOM 638 CD1 TYR A 187 11.309 19.321 10.596 1.00 25.80 C ATOM 639 CD2 TYR A 187 9.313 18.920 9.316 1.00 25.38 C ATOM 640 CE1 TYR A 187 10.755 20.495 11.121 1.00 28.24 C ATOM 641 CE2 TYR A 187 8.753 20.089 9.832 1.00 25.32 C ATOM 642 CZ TYR A 187 9.478 20.869 10.733 1.00 29.60 C ATOM 643 OH TYR A 187 8.921 22.019 11.252 1.00 31.39 O ATOM 644 HA TYR A 187 12.830 18.427 8.292 1.00 0.00 H ATOM 645 HB3 TYR A 187 11.828 16.780 9.853 1.00 0.00 H ATOM 646 HB2 TYR A 187 10.451 16.614 8.739 1.00 0.00 H ATOM 647 HD2 TYR A 187 8.744 18.309 8.615 1.00 0.00 H ATOM 648 HE2 TYR A 187 7.750 20.392 9.531 1.00 0.00 H ATOM 649 HE1 TYR A 187 11.320 21.106 11.825 1.00 0.00 H ATOM 650 HD1 TYR A 187 12.312 19.020 10.898 1.00 0.00 H ATOM 651 HH TYR A 187 9.566 22.447 11.869 1.00 0.00 H ATOM 652 H TYR A 187 10.542 17.557 6.467 1.00 0.00 H ATOM 653 N CYS A 188 13.862 16.006 8.124 1.00 12.11 N ATOM 654 CA CYS A 188 14.614 14.823 7.759 1.00 13.87 C ATOM 655 C CYS A 188 14.580 13.852 8.934 1.00 11.65 C ATOM 656 O CYS A 188 14.615 14.346 10.065 1.00 12.51 O ATOM 657 CB CYS A 188 16.053 15.208 7.462 1.00 11.22 C ATOM 658 SG CYS A 188 16.151 16.474 6.188 1.00 17.91 S ATOM 659 HA CYS A 188 14.179 14.359 6.874 1.00 0.00 H ATOM 660 HB2 CYS A 188 16.594 14.324 7.125 1.00 0.00 H ATOM 661 HB3 CYS A 188 16.513 15.588 8.374 1.00 0.00 H ATOM 662 HG CYS A 188 17.474 16.788 5.955 1.00 0.00 H ATOM 663 H CYS A 188 14.092 16.486 9.017 1.00 0.00 H ATOM 664 N LEU A 189 14.481 12.533 8.774 1.00 9.76 N ATOM 665 CA LEU A 189 14.579 11.606 9.872 1.00 9.33 C ATOM 666 C LEU A 189 15.932 10.957 9.719 1.00 11.65 C ATOM 667 O LEU A 189 16.217 10.502 8.619 1.00 11.43 O ATOM 668 CB LEU A 189 13.497 10.535 9.790 1.00 10.77 C ATOM 669 CG LEU A 189 13.546 9.405 10.798 1.00 10.59 C ATOM 670 CD1 LEU A 189 13.174 9.903 12.194 1.00 14.45 C ATOM 671 CD2 LEU A 189 12.516 8.365 10.385 1.00 11.45 C ATOM 672 HA LEU A 189 14.455 12.115 10.828 1.00 0.00 H ATOM 673 HB2 LEU A 189 12.535 11.034 9.907 1.00 0.00 H ATOM 674 HB3 LEU A 189 13.555 10.089 8.797 1.00 0.00 H ATOM 675 HG LEU A 189 14.555 8.994 10.823 1.00 0.00 H ATOM 676 HD21 LEU A 189 11.526 8.820 10.375 1.00 0.00 H ATOM 677 HD22 LEU A 189 12.756 7.993 9.389 1.00 0.00 H ATOM 678 HD23 LEU A 189 12.531 7.539 11.096 1.00 0.00 H ATOM 679 HD11 LEU A 189 13.876 10.678 12.501 1.00 0.00 H ATOM 680 HD12 LEU A 189 12.164 10.313 12.175 1.00 0.00 H ATOM 681 HD13 LEU A 189 13.217 9.072 12.898 1.00 0.00 H ATOM 682 H LEU A 189 14.327 12.157 7.817 1.00 0.00 H ATOM 683 N SER A 190 16.792 10.890 10.744 1.00 10.95 N ATOM 684 CA SER A 190 18.101 10.284 10.632 1.00 9.40 C ATOM 685 C SER A 190 18.094 9.190 11.682 1.00 9.09 C ATOM 686 O SER A 190 17.755 9.478 12.830 1.00 9.11 O ATOM 687 CB SER A 190 19.172 11.324 10.936 1.00 6.79 C ATOM 688 OG SER A 190 19.178 12.380 9.975 1.00 8.80 O ATOM 689 HA SER A 190 18.313 9.894 9.637 1.00 0.00 H ATOM 690 HB2 SER A 190 20.147 10.837 10.931 1.00 0.00 H ATOM 691 HB3 SER A 190 18.983 11.747 11.923 1.00 0.00 H ATOM 692 HG SER A 190 19.356 12.005 9.076 1.00 0.00 H ATOM 693 H SER A 190 16.506 11.291 11.660 1.00 0.00 H ATOM 694 N VAL A 191 18.427 7.946 11.256 1.00 11.30 N ATOM 695 CA VAL A 191 18.387 6.688 12.006 1.00 12.67 C ATOM 696 C VAL A 191 19.715 5.896 11.956 1.00 15.18 C ATOM 697 O VAL A 191 20.240 5.660 10.861 1.00 17.28 O ATOM 698 CB VAL A 191 17.246 5.729 11.448 1.00 12.03 C ATOM 699 CG1 VAL A 191 16.946 4.559 12.431 1.00 12.13 C ATOM 700 CG2 VAL A 191 15.995 6.517 11.248 1.00 15.09 C ATOM 701 HA VAL A 191 18.192 6.983 13.037 1.00 0.00 H ATOM 702 HB VAL A 191 17.595 5.307 10.506 1.00 0.00 H ATOM 703 HG11 VAL A 191 17.850 3.968 12.578 1.00 0.00 H ATOM 704 HG12 VAL A 191 16.617 4.965 13.387 1.00 0.00 H ATOM 705 HG13 VAL A 191 16.162 3.927 12.014 1.00 0.00 H ATOM 706 HG21 VAL A 191 15.680 6.945 12.200 1.00 0.00 H ATOM 707 HG22 VAL A 191 16.182 7.318 10.533 1.00 0.00 H ATOM 708 HG23 VAL A 191 15.212 5.862 10.866 1.00 0.00 H ATOM 709 H VAL A 191 18.752 7.876 10.271 1.00 0.00 H ATOM 710 N SER A 192 20.272 5.389 13.065 1.00 15.74 N ATOM 711 CA SER A 192 21.468 4.592 13.013 1.00 13.45 C ATOM 712 C SER A 192 21.069 3.181 12.722 1.00 13.89 C ATOM 713 O SER A 192 20.019 2.691 13.160 1.00 12.58 O ATOM 714 CB SER A 192 22.200 4.616 14.336 1.00 13.85 C ATOM 715 OG SER A 192 21.507 4.066 15.439 1.00 15.64 O ATOM 716 HA SER A 192 22.128 4.993 12.244 1.00 0.00 H ATOM 717 HB2 SER A 192 22.430 5.655 14.571 1.00 0.00 H ATOM 718 HB3 SER A 192 23.129 4.058 14.214 1.00 0.00 H ATOM 719 HG SER A 192 22.073 4.132 16.249 1.00 0.00 H ATOM 720 H SER A 192 19.828 5.577 13.986 1.00 0.00 H ATOM 721 N ASP A 193 21.958 2.468 12.081 1.00 14.94 N ATOM 722 CA ASP A 193 21.700 1.118 11.629 1.00 22.76 C ATOM 723 C ASP A 193 23.007 0.365 11.577 1.00 20.55 C ATOM 724 O ASP A 193 24.057 0.992 11.577 1.00 21.37 O ATOM 725 CB ASP A 193 21.066 1.231 10.252 1.00 28.20 C ATOM 726 CG ASP A 193 20.421 -0.027 9.725 1.00 32.93 C ATOM 727 OD1 ASP A 193 19.812 -0.783 10.503 1.00 34.21 O ATOM 728 OD2 ASP A 193 20.538 -0.220 8.509 1.00 36.75 O ATOM 729 HA ASP A 193 21.032 0.576 12.298 1.00 0.00 H ATOM 730 HB2 ASP A 193 20.301 2.006 10.297 1.00 0.00 H ATOM 731 HB3 ASP A 193 21.843 1.530 9.548 1.00 0.00 H ATOM 732 H ASP A 193 22.889 2.889 11.888 1.00 0.00 H ATOM 733 N PHE A 194 23.034 -0.951 11.553 1.00 20.50 N ATOM 734 CA PHE A 194 24.285 -1.667 11.462 1.00 22.47 C ATOM 735 C PHE A 194 24.211 -2.581 10.265 1.00 25.95 C ATOM 736 O PHE A 194 23.195 -3.251 10.114 1.00 26.08 O ATOM 737 CB PHE A 194 24.556 -2.602 12.665 1.00 22.45 C ATOM 738 CG PHE A 194 25.887 -3.385 12.610 1.00 21.78 C ATOM 739 CD1 PHE A 194 25.972 -4.617 11.955 1.00 18.79 C ATOM 740 CD2 PHE A 194 27.044 -2.834 13.171 1.00 19.31 C ATOM 741 CE1 PHE A 194 27.202 -5.264 11.856 1.00 18.11 C ATOM 742 CE2 PHE A 194 28.255 -3.497 13.063 1.00 18.39 C ATOM 743 CZ PHE A 194 28.337 -4.707 12.407 1.00 16.09 C ATOM 744 HA PHE A 194 25.068 -0.911 11.413 1.00 0.00 H ATOM 745 HB2 PHE A 194 24.561 -1.994 13.570 1.00 0.00 H ATOM 746 HB3 PHE A 194 23.742 -3.325 12.719 1.00 0.00 H ATOM 747 HD2 PHE A 194 26.992 -1.880 13.695 1.00 0.00 H ATOM 748 HE2 PHE A 194 29.152 -3.058 13.501 1.00 0.00 H ATOM 749 HZ PHE A 194 29.295 -5.221 12.324 1.00 0.00 H ATOM 750 HE1 PHE A 194 27.268 -6.221 11.338 1.00 0.00 H ATOM 751 HD1 PHE A 194 25.079 -5.070 11.523 1.00 0.00 H ATOM 752 H PHE A 194 22.141 -1.483 11.600 1.00 0.00 H ATOM 753 N ASP A 195 25.208 -2.647 9.402 1.00 30.48 N ATOM 754 CA ASP A 195 25.298 -3.835 8.569 1.00 38.59 C ATOM 755 C ASP A 195 26.776 -4.140 8.450 1.00 41.44 C ATOM 756 O ASP A 195 27.626 -3.279 8.681 1.00 37.92 O ATOM 757 CB ASP A 195 24.647 -3.687 7.165 1.00 43.74 C ATOM 758 CG ASP A 195 25.040 -2.548 6.266 1.00 45.91 C ATOM 759 OD1 ASP A 195 25.991 -2.739 5.522 1.00 47.23 O ATOM 760 OD2 ASP A 195 24.369 -1.512 6.314 1.00 52.13 O ATOM 761 HA ASP A 195 24.734 -4.644 9.034 1.00 0.00 H ATOM 762 HB2 ASP A 195 24.863 -4.606 6.620 1.00 0.00 H ATOM 763 HB3 ASP A 195 23.572 -3.605 7.324 1.00 0.00 H ATOM 764 H ASP A 195 25.903 -1.878 9.321 1.00 0.00 H ATOM 765 N ASN A 196 27.098 -5.418 8.210 1.00 47.92 N ATOM 766 CA ASN A 196 28.484 -5.890 8.230 1.00 52.73 C ATOM 767 C ASN A 196 29.434 -5.238 7.270 1.00 53.60 C ATOM 768 O ASN A 196 30.576 -4.939 7.638 1.00 54.18 O ATOM 769 CB ASN A 196 28.576 -7.387 7.990 1.00 58.02 C ATOM 770 CG ASN A 196 28.858 -8.024 9.347 1.00 64.21 C ATOM 771 OD1 ASN A 196 27.980 -8.675 9.914 1.00 66.08 O ATOM 772 ND2 ASN A 196 30.025 -7.824 9.964 1.00 66.01 N ATOM 773 HA ASN A 196 28.797 -5.607 9.235 1.00 0.00 H ATOM 774 HB2 ASN A 196 27.636 -7.763 7.585 1.00 0.00 H ATOM 775 HB3 ASN A 196 29.385 -7.609 7.294 1.00 0.00 H ATOM 776 HD22 ASN A 196 30.774 -7.276 9.495 1.00 0.00 H ATOM 777 HD21 ASN A 196 30.185 -8.216 10.914 1.00 0.00 H ATOM 778 H ASN A 196 26.338 -6.097 8.003 1.00 0.00 H ATOM 779 N ALA A 197 28.964 -4.956 6.064 1.00 52.56 N ATOM 780 CA ALA A 197 29.804 -4.245 5.135 1.00 51.53 C ATOM 781 C ALA A 197 29.312 -2.812 5.264 1.00 51.26 C ATOM 782 O ALA A 197 28.402 -2.446 4.523 1.00 55.59 O ATOM 783 CB ALA A 197 29.556 -4.806 3.740 1.00 52.62 C ATOM 784 HA ALA A 197 30.875 -4.326 5.321 1.00 0.00 H ATOM 785 HB1 ALA A 197 29.800 -5.868 3.728 1.00 0.00 H ATOM 786 HB2 ALA A 197 28.507 -4.670 3.476 1.00 0.00 H ATOM 787 HB3 ALA A 197 30.184 -4.280 3.021 1.00 0.00 H ATOM 788 H ALA A 197 28.002 -5.244 5.792 1.00 0.00 H ATOM 789 N LYS A 198 29.822 -2.057 6.239 1.00 46.63 N ATOM 790 CA LYS A 198 29.463 -0.662 6.514 1.00 42.15 C ATOM 791 C LYS A 198 29.595 -0.398 7.999 1.00 39.91 C ATOM 792 O LYS A 198 30.018 0.691 8.372 1.00 42.19 O ATOM 793 CB LYS A 198 28.008 -0.238 6.212 1.00 42.14 C ATOM 794 CG LYS A 198 27.919 0.973 5.293 1.00 41.12 C ATOM 795 CD LYS A 198 26.956 0.713 4.144 1.00 41.03 C ATOM 796 CE LYS A 198 25.520 1.009 4.518 1.00 43.31 C ATOM 797 NZ LYS A 198 24.605 0.058 3.899 1.00 43.70 N ATOM 798 HA LYS A 198 30.134 -0.109 5.856 1.00 0.00 H ATOM 799 HB2 LYS A 198 27.494 -1.074 5.737 1.00 0.00 H ATOM 800 HB3 LYS A 198 27.514 0.003 7.153 1.00 0.00 H ATOM 801 HG2 LYS A 198 27.568 1.831 5.866 1.00 0.00 H ATOM 802 HG3 LYS A 198 28.908 1.188 4.888 1.00 0.00 H ATOM 803 HD2 LYS A 198 27.236 1.345 3.302 1.00 0.00 H ATOM 804 HD3 LYS A 198 27.033 -0.334 3.852 1.00 0.00 H ATOM 805 HE2 LYS A 198 25.266 2.015 4.185 1.00 0.00 H ATOM 806 HE3 LYS A 198 25.415 0.949 5.601 1.00 0.00 H ATOM 807 HZ1 LYS A 198 24.696 0.114 2.865 1.00 0.00 H ATOM 808 HZ2 LYS A 198 24.839 -0.904 4.217 1.00 0.00 H ATOM 809 HZ3 LYS A 198 23.629 0.288 4.175 1.00 0.00 H ATOM 810 H LYS A 198 30.535 -2.495 6.857 1.00 0.00 H ATOM 811 N GLY A 199 29.301 -1.361 8.879 1.00 35.56 N ATOM 812 CA GLY A 199 29.297 -1.150 10.309 1.00 30.65 C ATOM 813 C GLY A 199 28.069 -0.362 10.695 1.00 25.62 C ATOM 814 O GLY A 199 27.023 -0.484 10.057 1.00 25.45 O ATOM 815 HA3 GLY A 199 30.191 -0.597 10.598 1.00 0.00 H ATOM 816 HA2 GLY A 199 29.287 -2.113 10.819 1.00 0.00 H ATOM 817 H GLY A 199 29.064 -2.307 8.517 1.00 0.00 H ATOM 818 N LEU A 200 28.207 0.431 11.746 1.00 24.70 N ATOM 819 CA LEU A 200 27.158 1.278 12.293 1.00 24.91 C ATOM 820 C LEU A 200 27.183 2.503 11.389 1.00 23.50 C ATOM 821 O LEU A 200 28.219 3.148 11.174 1.00 23.82 O ATOM 822 CB LEU A 200 27.488 1.683 13.718 1.00 25.27 C ATOM 823 CG LEU A 200 26.503 1.891 14.879 1.00 28.91 C ATOM 824 CD1 LEU A 200 26.717 3.293 15.348 1.00 30.53 C ATOM 825 CD2 LEU A 200 25.038 1.747 14.533 1.00 29.11 C ATOM 826 HA LEU A 200 26.188 0.781 12.324 1.00 0.00 H ATOM 827 HB2 LEU A 200 28.181 0.919 14.072 1.00 0.00 H ATOM 828 HB3 LEU A 200 28.014 2.633 13.624 1.00 0.00 H ATOM 829 HG LEU A 200 26.706 1.113 15.615 1.00 0.00 H ATOM 830 HD21 LEU A 200 24.772 2.480 13.772 1.00 0.00 H ATOM 831 HD22 LEU A 200 24.853 0.743 14.152 1.00 0.00 H ATOM 832 HD23 LEU A 200 24.437 1.914 15.427 1.00 0.00 H ATOM 833 HD11 LEU A 200 27.749 3.411 15.678 1.00 0.00 H ATOM 834 HD12 LEU A 200 26.515 3.983 14.529 1.00 0.00 H ATOM 835 HD13 LEU A 200 26.042 3.504 16.178 1.00 0.00 H ATOM 836 H LEU A 200 29.135 0.450 12.216 1.00 0.00 H ATOM 837 N ASN A 201 26.045 2.831 10.805 1.00 21.42 N ATOM 838 CA ASN A 201 25.977 3.928 9.858 1.00 18.56 C ATOM 839 C ASN A 201 24.643 4.607 10.053 1.00 18.04 C ATOM 840 O ASN A 201 23.806 4.080 10.787 1.00 17.37 O ATOM 841 CB ASN A 201 26.156 3.363 8.430 1.00 16.68 C ATOM 842 CG ASN A 201 25.135 2.351 8.001 1.00 16.60 C ATOM 843 OD1 ASN A 201 24.219 2.690 7.276 1.00 22.49 O ATOM 844 ND2 ASN A 201 25.222 1.095 8.375 1.00 19.06 N ATOM 845 HA ASN A 201 26.766 4.663 10.013 1.00 0.00 H ATOM 846 HB2 ASN A 201 26.115 4.198 7.731 1.00 0.00 H ATOM 847 HB3 ASN A 201 27.138 2.893 8.376 1.00 0.00 H ATOM 848 HD22 ASN A 201 25.999 0.790 8.995 1.00 0.00 H ATOM 849 HD21 ASN A 201 24.514 0.406 8.051 1.00 0.00 H ATOM 850 H ASN A 201 25.183 2.294 11.028 1.00 0.00 H ATOM 851 N VAL A 202 24.467 5.800 9.501 1.00 16.61 N ATOM 852 CA VAL A 202 23.231 6.562 9.620 1.00 13.83 C ATOM 853 C VAL A 202 22.485 6.543 8.294 1.00 11.06 C ATOM 854 O VAL A 202 23.134 6.770 7.281 1.00 13.61 O ATOM 855 CB VAL A 202 23.578 8.027 10.033 1.00 11.33 C ATOM 856 CG1 VAL A 202 22.332 8.880 10.153 1.00 12.07 C ATOM 857 CG2 VAL A 202 24.195 8.030 11.413 1.00 10.14 C ATOM 858 HA VAL A 202 22.590 6.117 10.381 1.00 0.00 H ATOM 859 HB VAL A 202 24.248 8.420 9.268 1.00 0.00 H ATOM 860 HG11 VAL A 202 21.816 8.905 9.193 1.00 0.00 H ATOM 861 HG12 VAL A 202 21.673 8.454 10.910 1.00 0.00 H ATOM 862 HG13 VAL A 202 22.613 9.893 10.442 1.00 0.00 H ATOM 863 HG21 VAL A 202 23.487 7.609 12.127 1.00 0.00 H ATOM 864 HG22 VAL A 202 25.105 7.430 11.404 1.00 0.00 H ATOM 865 HG23 VAL A 202 24.436 9.054 11.699 1.00 0.00 H ATOM 866 H VAL A 202 25.251 6.212 8.956 1.00 0.00 H ATOM 867 N LYS A 203 21.173 6.316 8.201 1.00 10.94 N ATOM 868 CA LYS A 203 20.391 6.495 6.975 1.00 10.73 C ATOM 869 C LYS A 203 19.553 7.762 7.169 1.00 10.93 C ATOM 870 O LYS A 203 19.141 8.054 8.313 1.00 10.47 O ATOM 871 CB LYS A 203 19.437 5.370 6.746 1.00 13.03 C ATOM 872 CG LYS A 203 19.926 4.272 5.870 1.00 17.45 C ATOM 873 CD LYS A 203 20.822 3.358 6.595 1.00 22.67 C ATOM 874 CE LYS A 203 21.142 2.316 5.535 1.00 29.94 C ATOM 875 NZ LYS A 203 21.752 1.141 6.138 1.00 35.82 N ATOM 876 HA LYS A 203 21.074 6.546 6.127 1.00 0.00 H ATOM 877 HB2 LYS A 203 19.190 4.939 7.716 1.00 0.00 H ATOM 878 HB3 LYS A 203 18.536 5.783 6.293 1.00 0.00 H ATOM 879 HG2 LYS A 203 19.070 3.708 5.498 1.00 0.00 H ATOM 880 HG3 LYS A 203 20.467 4.705 5.029 1.00 0.00 H ATOM 881 HD2 LYS A 203 21.723 3.871 6.931 1.00 0.00 H ATOM 882 HD3 LYS A 203 20.320 2.909 7.452 1.00 0.00 H ATOM 883 HE2 LYS A 203 21.832 2.745 4.808 1.00 0.00 H ATOM 884 HE3 LYS A 203 20.221 2.023 5.031 1.00 0.00 H ATOM 885 HZ1 LYS A 203 22.633 1.416 6.617 1.00 0.00 H ATOM 886 HZ2 LYS A 203 21.095 0.727 6.830 1.00 0.00 H ATOM 887 HZ3 LYS A 203 21.962 0.442 5.397 1.00 0.00 H ATOM 888 H LYS A 203 20.674 5.991 9.054 1.00 0.00 H ATOM 889 N HIS A 204 19.351 8.585 6.130 1.00 9.77 N ATOM 890 CA HIS A 204 18.600 9.809 6.258 1.00 7.66 C ATOM 891 C HIS A 204 17.398 9.713 5.361 1.00 9.91 C ATOM 892 O HIS A 204 17.577 9.338 4.204 1.00 10.80 O ATOM 893 CB HIS A 204 19.460 10.986 5.839 1.00 7.51 C ATOM 894 CG HIS A 204 20.668 11.175 6.744 1.00 6.41 C ATOM 895 ND1 HIS A 204 20.710 11.890 7.853 1.00 9.67 N ATOM 896 CD2 HIS A 204 21.917 10.612 6.577 1.00 10.84 C ATOM 897 CE1 HIS A 204 21.913 11.795 8.374 1.00 10.95 C ATOM 898 NE2 HIS A 204 22.638 11.018 7.611 1.00 9.64 N ATOM 899 HA HIS A 204 18.290 9.956 7.293 1.00 0.00 H ATOM 900 HB2 HIS A 204 19.809 10.819 4.820 1.00 0.00 H ATOM 901 HB3 HIS A 204 18.854 11.891 5.871 1.00 0.00 H ATOM 902 HD2 HIS A 204 22.243 9.966 5.762 1.00 0.00 H ATOM 903 HE1 HIS A 204 22.250 12.282 9.289 1.00 0.00 H ATOM 904 H HIS A 204 19.748 8.333 5.203 1.00 0.00 H ATOM 905 N TYR A 205 16.187 10.040 5.808 1.00 9.24 N ATOM 906 CA TYR A 205 14.950 9.942 5.045 1.00 9.97 C ATOM 907 C TYR A 205 14.352 11.323 4.950 1.00 9.42 C ATOM 908 O TYR A 205 14.419 12.048 5.947 1.00 14.10 O ATOM 909 CB TYR A 205 13.943 9.040 5.745 1.00 8.90 C ATOM 910 CG TYR A 205 14.473 7.624 5.863 1.00 11.14 C ATOM 911 CD1 TYR A 205 14.279 6.730 4.798 1.00 11.26 C ATOM 912 CD2 TYR A 205 15.167 7.220 7.020 1.00 11.47 C ATOM 913 CE1 TYR A 205 14.778 5.432 4.883 1.00 10.86 C ATOM 914 CE2 TYR A 205 15.674 5.919 7.109 1.00 10.75 C ATOM 915 CZ TYR A 205 15.467 5.047 6.034 1.00 12.62 C ATOM 916 OH TYR A 205 15.933 3.744 6.139 1.00 15.42 O ATOM 917 HA TYR A 205 15.173 9.525 4.063 1.00 0.00 H ATOM 918 HB3 TYR A 205 13.016 9.028 5.172 1.00 0.00 H ATOM 919 HB2 TYR A 205 13.746 9.432 6.743 1.00 0.00 H ATOM 920 HD2 TYR A 205 15.309 7.919 7.844 1.00 0.00 H ATOM 921 HE2 TYR A 205 16.218 5.592 7.995 1.00 0.00 H ATOM 922 HE1 TYR A 205 14.633 4.728 4.063 1.00 0.00 H ATOM 923 HD1 TYR A 205 13.739 7.051 3.907 1.00 0.00 H ATOM 924 HH TYR A 205 15.716 3.249 5.309 1.00 0.00 H ATOM 925 H TYR A 205 16.119 10.395 6.783 1.00 0.00 H ATOM 926 N LYS A 206 13.776 11.771 3.846 1.00 10.78 N ATOM 927 CA LYS A 206 13.143 13.068 3.799 1.00 13.05 C ATOM 928 C LYS A 206 11.719 12.935 4.245 1.00 12.86 C ATOM 929 O LYS A 206 11.040 12.000 3.820 1.00 13.43 O ATOM 930 CB LYS A 206 13.018 13.690 2.414 1.00 16.97 C ATOM 931 CG LYS A 206 14.325 14.163 1.875 1.00 23.65 C ATOM 932 CD LYS A 206 13.984 15.328 0.986 1.00 32.06 C ATOM 933 CE LYS A 206 15.248 15.865 0.305 1.00 36.70 C ATOM 934 NZ LYS A 206 15.750 14.934 -0.688 1.00 44.43 N ATOM 935 HA LYS A 206 13.783 13.692 4.423 1.00 0.00 H ATOM 936 HB2 LYS A 206 12.609 12.944 1.732 1.00 0.00 H ATOM 937 HB3 LYS A 206 12.337 14.539 2.473 1.00 0.00 H ATOM 938 HG2 LYS A 206 14.982 14.479 2.686 1.00 0.00 H ATOM 939 HG3 LYS A 206 14.811 13.373 1.302 1.00 0.00 H ATOM 940 HD2 LYS A 206 13.275 15.004 0.224 1.00 0.00 H ATOM 941 HD3 LYS A 206 13.535 16.119 1.586 1.00 0.00 H ATOM 942 HE2 LYS A 206 16.017 16.027 1.061 1.00 0.00 H ATOM 943 HE3 LYS A 206 15.014 16.812 -0.182 1.00 0.00 H ATOM 944 HZ1 LYS A 206 15.980 14.030 -0.229 1.00 0.00 H ATOM 945 HZ2 LYS A 206 15.023 14.779 -1.415 1.00 0.00 H ATOM 946 HZ3 LYS A 206 16.605 15.328 -1.130 1.00 0.00 H ATOM 947 H LYS A 206 13.779 11.176 2.993 1.00 0.00 H ATOM 948 N ILE A 207 11.243 13.885 5.051 1.00 13.01 N ATOM 949 CA ILE A 207 9.852 13.852 5.461 1.00 15.23 C ATOM 950 C ILE A 207 9.174 14.930 4.599 1.00 14.06 C ATOM 951 O ILE A 207 9.482 16.129 4.700 1.00 17.03 O ATOM 952 CB ILE A 207 9.785 14.113 6.968 1.00 12.80 C ATOM 953 CG1 ILE A 207 10.390 12.969 7.731 1.00 11.36 C ATOM 954 CG2 ILE A 207 8.323 14.231 7.370 1.00 15.65 C ATOM 955 CD1 ILE A 207 10.643 13.213 9.222 1.00 13.14 C ATOM 956 HA ILE A 207 9.346 12.898 5.310 1.00 0.00 H ATOM 957 HB ILE A 207 10.335 15.026 7.195 1.00 0.00 H ATOM 958 HG12 ILE A 207 9.717 12.116 7.642 1.00 0.00 H ATOM 959 HG13 ILE A 207 11.346 12.726 7.266 1.00 0.00 H ATOM 960 HD11 ILE A 207 11.329 14.052 9.340 1.00 0.00 H ATOM 961 HD12 ILE A 207 9.699 13.441 9.717 1.00 0.00 H ATOM 962 HD13 ILE A 207 11.081 12.319 9.666 1.00 0.00 H ATOM 963 HG21 ILE A 207 7.864 15.057 6.827 1.00 0.00 H ATOM 964 HG22 ILE A 207 7.805 13.303 7.128 1.00 0.00 H ATOM 965 HG23 ILE A 207 8.256 14.417 8.442 1.00 0.00 H ATOM 966 H ILE A 207 11.867 14.647 5.385 1.00 0.00 H ATOM 967 N ARG A 208 8.343 14.479 3.658 1.00 13.89 N ATOM 968 CA ARG A 208 7.676 15.334 2.713 1.00 13.84 C ATOM 969 C ARG A 208 6.412 15.860 3.334 1.00 15.17 C ATOM 970 O ARG A 208 5.777 15.232 4.184 1.00 13.34 O ATOM 971 CB ARG A 208 7.382 14.523 1.496 1.00 17.91 C ATOM 972 CG ARG A 208 8.654 14.231 0.753 1.00 24.14 C ATOM 973 CD ARG A 208 8.572 13.265 -0.441 1.00 37.71 C ATOM 974 NE ARG A 208 9.680 13.537 -1.382 1.00 48.06 N ATOM 975 CZ ARG A 208 10.739 12.736 -1.661 1.00 50.91 C ATOM 976 NH1 ARG A 208 10.909 11.533 -1.087 1.00 51.49 N ATOM 977 NH2 ARG A 208 11.653 13.191 -2.544 1.00 52.35 N ATOM 978 HA ARG A 208 8.297 16.187 2.438 1.00 0.00 H ATOM 979 HB2 ARG A 208 6.913 13.585 1.792 1.00 0.00 H ATOM 980 HB3 ARG A 208 6.704 15.078 0.847 1.00 0.00 H ATOM 981 HG2 ARG A 208 9.040 15.180 0.380 1.00 0.00 H ATOM 982 HG3 ARG A 208 9.360 13.808 1.468 1.00 0.00 H ATOM 983 HD2 ARG A 208 7.620 13.402 -0.953 1.00 0.00 H ATOM 984 HD3 ARG A 208 8.645 12.238 -0.082 1.00 0.00 H ATOM 985 HE ARG A 208 9.643 14.445 -1.887 1.00 0.00 H ATOM 986 HH12 ARG A 208 11.737 10.953 -1.331 1.00 0.00 H ATOM 987 HH11 ARG A 208 10.213 11.182 -0.398 1.00 0.00 H ATOM 988 HH22 ARG A 208 12.479 12.607 -2.785 1.00 0.00 H ATOM 989 HH21 ARG A 208 11.531 14.126 -2.984 1.00 0.00 H ATOM 990 H ARG A 208 8.168 13.455 3.605 1.00 0.00 H ATOM 991 N LYS A 209 6.109 17.068 2.954 1.00 15.36 N ATOM 992 CA LYS A 209 4.949 17.717 3.497 1.00 19.06 C ATOM 993 C LYS A 209 3.933 17.923 2.374 1.00 20.26 C ATOM 994 O LYS A 209 4.321 18.375 1.284 1.00 19.60 O ATOM 995 CB LYS A 209 5.334 19.060 4.084 1.00 22.38 C ATOM 996 CG LYS A 209 4.137 19.410 4.899 1.00 28.57 C ATOM 997 CD LYS A 209 4.162 20.817 5.382 1.00 35.08 C ATOM 998 CE LYS A 209 2.768 20.968 5.960 1.00 40.37 C ATOM 999 NZ LYS A 209 2.673 22.253 6.615 1.00 47.99 N ATOM 1000 HA LYS A 209 4.518 17.099 4.285 1.00 0.00 H ATOM 1001 HB2 LYS A 209 6.225 18.977 4.707 1.00 0.00 H ATOM 1002 HB3 LYS A 209 5.507 19.798 3.301 1.00 0.00 H ATOM 1003 HG2 LYS A 209 3.245 19.266 4.289 1.00 0.00 H ATOM 1004 HG3 LYS A 209 4.096 18.746 5.762 1.00 0.00 H ATOM 1005 HD2 LYS A 209 4.927 20.962 6.145 1.00 0.00 H ATOM 1006 HD3 LYS A 209 4.331 21.516 4.563 1.00 0.00 H ATOM 1007 HE2 LYS A 209 2.582 20.173 6.683 1.00 0.00 H ATOM 1008 HE3 LYS A 209 2.031 20.909 5.159 1.00 0.00 H ATOM 1009 HZ1 LYS A 209 3.379 22.305 7.377 1.00 0.00 H ATOM 1010 HZ2 LYS A 209 2.852 23.008 5.922 1.00 0.00 H ATOM 1011 HZ3 LYS A 209 1.720 22.367 7.015 1.00 0.00 H ATOM 1012 H LYS A 209 6.705 17.561 2.259 1.00 0.00 H ATOM 1013 N LEU A 210 2.655 17.614 2.622 1.00 18.26 N ATOM 1014 CA LEU A 210 1.583 17.758 1.653 1.00 18.44 C ATOM 1015 C LEU A 210 1.079 19.184 1.692 1.00 21.16 C ATOM 1016 O LEU A 210 1.048 19.758 2.784 1.00 20.08 O ATOM 1017 CB LEU A 210 0.429 16.869 2.008 1.00 17.70 C ATOM 1018 CG LEU A 210 0.162 15.492 1.430 1.00 18.25 C ATOM 1019 CD1 LEU A 210 1.095 15.214 0.287 1.00 16.56 C ATOM 1020 CD2 LEU A 210 0.197 14.492 2.527 1.00 14.71 C ATOM 1021 HA LEU A 210 1.969 17.493 0.669 1.00 0.00 H ATOM 1022 HB2 LEU A 210 0.502 16.719 3.085 1.00 0.00 H ATOM 1023 HB3 LEU A 210 -0.464 17.453 1.783 1.00 0.00 H ATOM 1024 HG LEU A 210 -0.835 15.432 0.994 1.00 0.00 H ATOM 1025 HD21 LEU A 210 1.179 14.508 3.001 1.00 0.00 H ATOM 1026 HD22 LEU A 210 -0.568 14.736 3.264 1.00 0.00 H ATOM 1027 HD23 LEU A 210 0.006 13.500 2.119 1.00 0.00 H ATOM 1028 HD11 LEU A 210 0.946 15.962 -0.492 1.00 0.00 H ATOM 1029 HD12 LEU A 210 2.125 15.257 0.642 1.00 0.00 H ATOM 1030 HD13 LEU A 210 0.889 14.222 -0.115 1.00 0.00 H ATOM 1031 H LEU A 210 2.415 17.249 3.566 1.00 0.00 H ATOM 1032 N ASP A 211 0.612 19.795 0.595 1.00 23.73 N ATOM 1033 CA ASP A 211 -0.009 21.125 0.649 1.00 27.85 C ATOM 1034 C ASP A 211 -1.272 21.174 1.496 1.00 28.92 C ATOM 1035 O ASP A 211 -1.581 22.187 2.098 1.00 31.12 O ATOM 1036 CB ASP A 211 -0.384 21.599 -0.724 1.00 32.05 C ATOM 1037 CG ASP A 211 0.794 21.803 -1.653 1.00 40.05 C ATOM 1038 OD1 ASP A 211 1.958 21.731 -1.242 1.00 45.81 O ATOM 1039 OD2 ASP A 211 0.531 22.035 -2.827 1.00 48.18 O ATOM 1040 HA ASP A 211 0.747 21.766 1.103 1.00 0.00 H ATOM 1041 HB2 ASP A 211 -1.049 20.860 -1.171 1.00 0.00 H ATOM 1042 HB3 ASP A 211 -0.911 22.548 -0.626 1.00 0.00 H ATOM 1043 H ASP A 211 0.692 19.313 -0.323 1.00 0.00 H ATOM 1044 N SER A 212 -2.010 20.069 1.572 1.00 31.83 N ATOM 1045 CA SER A 212 -3.172 19.908 2.420 1.00 31.52 C ATOM 1046 C SER A 212 -2.726 19.759 3.867 1.00 34.47 C ATOM 1047 O SER A 212 -3.580 19.641 4.741 1.00 38.54 O ATOM 1048 CB SER A 212 -3.967 18.658 2.003 1.00 30.53 C ATOM 1049 OG SER A 212 -3.308 17.386 2.117 1.00 30.64 O ATOM 1050 HA SER A 212 -3.809 20.786 2.316 1.00 0.00 H ATOM 1051 HB2 SER A 212 -4.253 18.786 0.959 1.00 0.00 H ATOM 1052 HB3 SER A 212 -4.863 18.619 2.622 1.00 0.00 H ATOM 1053 HG SER A 212 -3.923 16.669 1.820 1.00 0.00 H ATOM 1054 H SER A 212 -1.731 19.262 0.978 1.00 0.00 H ATOM 1055 N GLY A 213 -1.431 19.651 4.186 1.00 36.05 N ATOM 1056 CA GLY A 213 -0.977 19.600 5.555 1.00 33.45 C ATOM 1057 C GLY A 213 -0.275 18.339 6.043 1.00 32.43 C ATOM 1058 O GLY A 213 0.667 18.483 6.816 1.00 36.46 O ATOM 1059 HA3 GLY A 213 -1.851 19.748 6.190 1.00 0.00 H ATOM 1060 HA2 GLY A 213 -0.283 20.429 5.695 1.00 0.00 H ATOM 1061 H GLY A 213 -0.728 19.602 3.421 1.00 0.00 H ATOM 1062 N GLY A 214 -0.605 17.106 5.688 1.00 29.45 N ATOM 1063 CA GLY A 214 0.058 15.956 6.330 1.00 23.33 C ATOM 1064 C GLY A 214 1.529 15.734 5.985 1.00 20.71 C ATOM 1065 O GLY A 214 2.068 16.381 5.075 1.00 21.11 O ATOM 1066 HA3 GLY A 214 -0.488 15.057 6.044 1.00 0.00 H ATOM 1067 HA2 GLY A 214 -0.012 16.094 7.409 1.00 0.00 H ATOM 1068 H GLY A 214 -1.330 16.950 4.959 1.00 0.00 H ATOM 1069 N PHE A 215 2.171 14.774 6.648 1.00 18.52 N ATOM 1070 CA PHE A 215 3.586 14.457 6.453 1.00 18.33 C ATOM 1071 C PHE A 215 3.704 13.031 6.023 1.00 16.71 C ATOM 1072 O PHE A 215 2.860 12.243 6.463 1.00 19.10 O ATOM 1073 CB PHE A 215 4.387 14.567 7.732 1.00 17.57 C ATOM 1074 CG PHE A 215 4.431 15.989 8.251 1.00 19.00 C ATOM 1075 CD1 PHE A 215 5.446 16.839 7.817 1.00 17.73 C ATOM 1076 CD2 PHE A 215 3.447 16.443 9.132 1.00 18.15 C ATOM 1077 CE1 PHE A 215 5.478 18.158 8.263 1.00 19.60 C ATOM 1078 CE2 PHE A 215 3.490 17.765 9.569 1.00 20.04 C ATOM 1079 CZ PHE A 215 4.505 18.620 9.133 1.00 20.49 C ATOM 1080 HA PHE A 215 3.968 15.165 5.718 1.00 0.00 H ATOM 1081 HB2 PHE A 215 3.931 13.929 8.489 1.00 0.00 H ATOM 1082 HB3 PHE A 215 5.406 14.230 7.540 1.00 0.00 H ATOM 1083 HD2 PHE A 215 2.657 15.773 9.472 1.00 0.00 H ATOM 1084 HE2 PHE A 215 2.728 18.134 10.255 1.00 0.00 H ATOM 1085 HZ PHE A 215 4.531 19.653 9.479 1.00 0.00 H ATOM 1086 HE1 PHE A 215 6.270 18.827 7.927 1.00 0.00 H ATOM 1087 HD1 PHE A 215 6.211 16.474 7.132 1.00 0.00 H ATOM 1088 H PHE A 215 1.636 14.217 7.345 1.00 0.00 H ATOM 1089 N TYR A 216 4.688 12.657 5.216 1.00 15.71 N ATOM 1090 CA TYR A 216 4.867 11.243 4.894 1.00 14.17 C ATOM 1091 C TYR A 216 6.294 11.018 4.434 1.00 14.57 C ATOM 1092 O TYR A 216 6.965 11.951 3.970 1.00 15.43 O ATOM 1093 CB TYR A 216 3.902 10.771 3.759 1.00 13.57 C ATOM 1094 CG TYR A 216 4.146 11.493 2.443 1.00 15.36 C ATOM 1095 CD1 TYR A 216 3.761 12.825 2.303 1.00 11.66 C ATOM 1096 CD2 TYR A 216 4.764 10.800 1.391 1.00 11.16 C ATOM 1097 CE1 TYR A 216 4.009 13.465 1.093 1.00 12.15 C ATOM 1098 CE2 TYR A 216 5.012 11.432 0.186 1.00 15.78 C ATOM 1099 CZ TYR A 216 4.627 12.763 0.055 1.00 16.02 C ATOM 1100 OH TYR A 216 4.858 13.406 -1.139 1.00 20.40 O ATOM 1101 HA TYR A 216 4.643 10.668 5.793 1.00 0.00 H ATOM 1102 HB3 TYR A 216 2.875 10.957 4.074 1.00 0.00 H ATOM 1103 HB2 TYR A 216 4.044 9.702 3.602 1.00 0.00 H ATOM 1104 HD2 TYR A 216 5.050 9.757 1.524 1.00 0.00 H ATOM 1105 HE2 TYR A 216 5.494 10.904 -0.636 1.00 0.00 H ATOM 1106 HE1 TYR A 216 3.723 14.508 0.956 1.00 0.00 H ATOM 1107 HD1 TYR A 216 3.276 13.354 3.124 1.00 0.00 H ATOM 1108 HH TYR A 216 4.532 14.339 -1.079 1.00 0.00 H ATOM 1109 H TYR A 216 5.331 13.369 4.813 1.00 0.00 H ATOM 1110 N ILE A 217 6.788 9.806 4.624 1.00 14.47 N ATOM 1111 CA ILE A 217 8.076 9.400 4.081 1.00 15.05 C ATOM 1112 C ILE A 217 7.719 8.541 2.846 1.00 15.23 C ATOM 1113 O ILE A 217 8.308 8.779 1.785 1.00 14.08 O ATOM 1114 CB ILE A 217 8.912 8.585 5.145 1.00 14.18 C ATOM 1115 CG1 ILE A 217 9.289 9.467 6.346 1.00 14.22 C ATOM 1116 CG2 ILE A 217 10.203 8.108 4.534 1.00 11.57 C ATOM 1117 CD1 ILE A 217 9.873 8.668 7.515 1.00 12.05 C ATOM 1118 HA ILE A 217 8.705 10.250 3.815 1.00 0.00 H ATOM 1119 HB ILE A 217 8.292 7.749 5.467 1.00 0.00 H ATOM 1120 HG12 ILE A 217 10.029 10.199 6.021 1.00 0.00 H ATOM 1121 HG13 ILE A 217 8.394 9.985 6.691 1.00 0.00 H ATOM 1122 HD11 ILE A 217 9.139 7.938 7.857 1.00 0.00 H ATOM 1123 HD12 ILE A 217 10.775 8.152 7.186 1.00 0.00 H ATOM 1124 HD13 ILE A 217 10.119 9.348 8.331 1.00 0.00 H ATOM 1125 HG21 ILE A 217 9.984 7.465 3.682 1.00 0.00 H ATOM 1126 HG22 ILE A 217 10.786 8.967 4.202 1.00 0.00 H ATOM 1127 HG23 ILE A 217 10.770 7.548 5.277 1.00 0.00 H ATOM 1128 H ILE A 217 6.238 9.120 5.180 1.00 0.00 H ATOM 1129 N THR A 218 6.796 7.571 2.930 1.00 16.82 N ATOM 1130 CA THR A 218 6.265 6.760 1.828 1.00 19.80 C ATOM 1131 C THR A 218 4.819 7.230 1.644 1.00 17.74 C ATOM 1132 O THR A 218 4.110 7.476 2.620 1.00 17.49 O ATOM 1133 CB THR A 218 6.056 5.291 2.121 1.00 21.85 C ATOM 1134 OG1 THR A 218 6.839 4.930 3.234 1.00 31.51 O ATOM 1135 CG2 THR A 218 6.335 4.502 0.911 1.00 22.84 C ATOM 1136 HA THR A 218 6.979 6.871 1.012 1.00 0.00 H ATOM 1137 HB THR A 218 5.020 5.082 2.386 1.00 0.00 H ATOM 1138 HG1 THR A 218 6.707 3.969 3.431 1.00 0.00 H ATOM 1139 HG23 THR A 218 5.691 4.842 0.100 1.00 0.00 H ATOM 1140 HG21 THR A 218 7.379 4.633 0.626 1.00 0.00 H ATOM 1141 HG22 THR A 218 6.141 3.449 1.113 1.00 0.00 H ATOM 1142 H THR A 218 6.416 7.372 3.878 1.00 0.00 H ATOM 1143 N SER A 219 4.301 7.246 0.411 1.00 20.04 N ATOM 1144 CA SER A 219 2.902 7.578 0.120 1.00 19.62 C ATOM 1145 C SER A 219 1.967 6.573 0.739 1.00 18.74 C ATOM 1146 O SER A 219 0.789 6.789 0.929 1.00 20.61 O ATOM 1147 CB SER A 219 2.611 7.589 -1.381 1.00 20.57 C ATOM 1148 OG SER A 219 2.906 6.363 -2.043 1.00 22.19 O ATOM 1149 HA SER A 219 2.742 8.572 0.537 1.00 0.00 H ATOM 1150 HB2 SER A 219 3.208 8.377 -1.839 1.00 0.00 H ATOM 1151 HB3 SER A 219 1.553 7.808 -1.522 1.00 0.00 H ATOM 1152 HG SER A 219 3.868 6.154 -1.935 1.00 0.00 H ATOM 1153 H SER A 219 4.925 7.010 -0.387 1.00 0.00 H ATOM 1154 N ARG A 220 2.505 5.418 1.012 1.00 19.44 N ATOM 1155 CA ARG A 220 1.811 4.326 1.603 1.00 23.25 C ATOM 1156 C ARG A 220 1.196 4.765 2.920 1.00 24.99 C ATOM 1157 O ARG A 220 0.088 4.322 3.235 1.00 25.61 O ATOM 1158 CB ARG A 220 2.879 3.263 1.723 1.00 27.81 C ATOM 1159 CG ARG A 220 2.428 1.884 2.112 1.00 38.35 C ATOM 1160 CD ARG A 220 3.542 0.851 1.911 1.00 44.44 C ATOM 1161 NE ARG A 220 4.537 0.724 2.967 1.00 48.30 N ATOM 1162 CZ ARG A 220 5.836 0.653 2.647 1.00 52.97 C ATOM 1163 NH1 ARG A 220 6.273 0.715 1.375 1.00 54.65 N ATOM 1164 NH2 ARG A 220 6.722 0.433 3.608 1.00 53.39 N ATOM 1165 HA ARG A 220 0.963 3.946 1.033 1.00 0.00 H ATOM 1166 HB2 ARG A 220 3.377 3.186 0.756 1.00 0.00 H ATOM 1167 HB3 ARG A 220 3.595 3.599 2.473 1.00 0.00 H ATOM 1168 HG2 ARG A 220 2.135 1.890 3.162 1.00 0.00 H ATOM 1169 HG3 ARG A 220 1.571 1.605 1.499 1.00 0.00 H ATOM 1170 HD2 ARG A 220 4.070 1.113 0.994 1.00 0.00 H ATOM 1171 HD3 ARG A 220 3.067 -0.123 1.790 1.00 0.00 H ATOM 1172 HE ARG A 220 4.241 0.689 3.963 1.00 0.00 H ATOM 1173 HH12 ARG A 220 7.291 0.656 1.171 1.00 0.00 H ATOM 1174 HH11 ARG A 220 5.592 0.822 0.596 1.00 0.00 H ATOM 1175 HH22 ARG A 220 7.735 0.375 3.378 1.00 0.00 H ATOM 1176 HH21 ARG A 220 6.405 0.319 4.592 1.00 0.00 H ATOM 1177 H ARG A 220 3.511 5.286 0.782 1.00 0.00 H ATOM 1178 N THR A 221 1.861 5.608 3.734 1.00 24.79 N ATOM 1179 CA THR A 221 1.302 6.017 5.026 1.00 23.56 C ATOM 1180 C THR A 221 1.483 7.504 5.229 1.00 20.14 C ATOM 1181 O THR A 221 2.600 7.997 5.036 1.00 21.90 O ATOM 1182 CB THR A 221 2.011 5.293 6.191 1.00 27.43 C ATOM 1183 OG1 THR A 221 2.574 4.055 5.740 1.00 33.90 O ATOM 1184 CG2 THR A 221 1.018 5.062 7.301 1.00 28.65 C ATOM 1185 HA THR A 221 0.243 5.757 5.018 1.00 0.00 H ATOM 1186 HB THR A 221 2.827 5.910 6.566 1.00 0.00 H ATOM 1187 HG1 THR A 221 3.024 3.603 6.497 1.00 0.00 H ATOM 1188 HG23 THR A 221 0.607 6.018 7.624 1.00 0.00 H ATOM 1189 HG21 THR A 221 0.213 4.422 6.939 1.00 0.00 H ATOM 1190 HG22 THR A 221 1.519 4.579 8.140 1.00 0.00 H ATOM 1191 H THR A 221 2.788 5.975 3.440 1.00 0.00 H ATOM 1192 N GLN A 222 0.455 8.256 5.588 1.00 17.04 N ATOM 1193 CA GLN A 222 0.683 9.645 5.897 1.00 18.97 C ATOM 1194 C GLN A 222 0.116 10.013 7.273 1.00 19.72 C ATOM 1195 O GLN A 222 -0.649 9.247 7.878 1.00 20.19 O ATOM 1196 CB GLN A 222 0.102 10.486 4.792 1.00 17.95 C ATOM 1197 CG GLN A 222 -1.376 10.411 4.659 1.00 21.59 C ATOM 1198 CD GLN A 222 -1.834 10.956 3.320 1.00 20.31 C ATOM 1199 OE1 GLN A 222 -1.613 10.333 2.280 1.00 21.51 O ATOM 1200 NE2 GLN A 222 -2.462 12.125 3.331 1.00 16.18 N ATOM 1201 HA GLN A 222 1.754 9.838 5.957 1.00 0.00 H ATOM 1202 HB2 GLN A 222 0.373 11.525 4.979 1.00 0.00 H ATOM 1203 HB3 GLN A 222 0.544 10.160 3.850 1.00 0.00 H ATOM 1204 HG2 GLN A 222 -1.689 9.370 4.746 1.00 0.00 H ATOM 1205 HG3 GLN A 222 -1.835 10.995 5.457 1.00 0.00 H ATOM 1206 HE22 GLN A 222 -2.628 12.618 4.232 1.00 0.00 H ATOM 1207 HE21 GLN A 222 -2.788 12.549 2.439 1.00 0.00 H ATOM 1208 H GLN A 222 -0.501 7.851 5.646 1.00 0.00 H ATOM 1209 N PHE A 223 0.503 11.159 7.838 1.00 19.62 N ATOM 1210 CA PHE A 223 0.262 11.467 9.236 1.00 19.15 C ATOM 1211 C PHE A 223 -0.112 12.906 9.314 1.00 19.98 C ATOM 1212 O PHE A 223 0.311 13.670 8.457 1.00 20.56 O ATOM 1213 CB PHE A 223 1.530 11.290 10.078 1.00 15.39 C ATOM 1214 CG PHE A 223 2.130 9.911 9.900 1.00 15.92 C ATOM 1215 CD1 PHE A 223 1.638 8.846 10.633 1.00 13.73 C ATOM 1216 CD2 PHE A 223 3.175 9.717 8.989 1.00 13.48 C ATOM 1217 CE1 PHE A 223 2.200 7.590 10.450 1.00 11.15 C ATOM 1218 CE2 PHE A 223 3.725 8.448 8.810 1.00 16.42 C ATOM 1219 CZ PHE A 223 3.237 7.379 9.544 1.00 13.88 C ATOM 1220 HA PHE A 223 -0.513 10.800 9.613 1.00 0.00 H ATOM 1221 HB2 PHE A 223 2.263 12.037 9.775 1.00 0.00 H ATOM 1222 HB3 PHE A 223 1.280 11.434 11.129 1.00 0.00 H ATOM 1223 HD2 PHE A 223 3.560 10.561 8.417 1.00 0.00 H ATOM 1224 HE2 PHE A 223 4.535 8.298 8.096 1.00 0.00 H ATOM 1225 HZ PHE A 223 3.660 6.383 9.414 1.00 0.00 H ATOM 1226 HE1 PHE A 223 1.821 6.748 11.029 1.00 0.00 H ATOM 1227 HD1 PHE A 223 0.823 8.991 11.342 1.00 0.00 H ATOM 1228 H PHE A 223 0.998 11.861 7.252 1.00 0.00 H ATOM 1229 N ASN A 224 -0.865 13.324 10.326 1.00 22.58 N ATOM 1230 CA ASN A 224 -1.184 14.736 10.506 1.00 25.40 C ATOM 1231 C ASN A 224 -0.161 15.501 11.346 1.00 26.49 C ATOM 1232 O ASN A 224 -0.220 16.731 11.396 1.00 29.38 O ATOM 1233 CB ASN A 224 -2.557 14.881 11.153 1.00 32.97 C ATOM 1234 CG ASN A 224 -3.691 14.291 10.308 1.00 40.59 C ATOM 1235 OD1 ASN A 224 -4.500 13.502 10.813 1.00 46.15 O ATOM 1236 ND2 ASN A 224 -3.795 14.593 9.005 1.00 42.19 N ATOM 1237 HA ASN A 224 -1.169 15.173 9.508 1.00 0.00 H ATOM 1238 HB2 ASN A 224 -2.541 14.371 12.116 1.00 0.00 H ATOM 1239 HB3 ASN A 224 -2.756 15.941 11.308 1.00 0.00 H ATOM 1240 HD22 ASN A 224 -3.121 15.255 8.569 1.00 0.00 H ATOM 1241 HD21 ASN A 224 -4.549 14.166 8.431 1.00 0.00 H ATOM 1242 H ASN A 224 -1.235 12.629 11.005 1.00 0.00 H ATOM 1243 N SER A 225 0.800 14.856 12.017 1.00 23.67 N ATOM 1244 CA SER A 225 1.808 15.550 12.786 1.00 20.18 C ATOM 1245 C SER A 225 3.090 14.731 12.749 1.00 18.66 C ATOM 1246 O SER A 225 3.079 13.525 12.465 1.00 17.95 O ATOM 1247 CB SER A 225 1.365 15.694 14.227 1.00 17.01 C ATOM 1248 OG SER A 225 1.035 14.457 14.843 1.00 19.46 O ATOM 1249 HA SER A 225 1.966 16.541 12.362 1.00 0.00 H ATOM 1250 HB2 SER A 225 0.487 16.340 14.256 1.00 0.00 H ATOM 1251 HB3 SER A 225 2.174 16.157 14.793 1.00 0.00 H ATOM 1252 HG SER A 225 0.755 14.620 15.778 1.00 0.00 H ATOM 1253 H SER A 225 0.823 13.817 11.984 1.00 0.00 H ATOM 1254 N LEU A 226 4.211 15.370 13.058 1.00 18.65 N ATOM 1255 CA LEU A 226 5.455 14.651 13.193 1.00 19.09 C ATOM 1256 C LEU A 226 5.317 13.717 14.381 1.00 18.16 C ATOM 1257 O LEU A 226 5.793 12.598 14.319 1.00 19.39 O ATOM 1258 CB LEU A 226 6.625 15.614 13.420 1.00 20.28 C ATOM 1259 CG LEU A 226 7.115 16.445 12.252 1.00 21.78 C ATOM 1260 CD1 LEU A 226 8.242 17.358 12.711 1.00 20.08 C ATOM 1261 CD2 LEU A 226 7.589 15.526 11.150 1.00 19.43 C ATOM 1262 HA LEU A 226 5.662 14.093 12.279 1.00 0.00 H ATOM 1263 HB2 LEU A 226 6.323 16.308 14.205 1.00 0.00 H ATOM 1264 HB3 LEU A 226 7.469 15.019 13.768 1.00 0.00 H ATOM 1265 HG LEU A 226 6.303 17.063 11.870 1.00 0.00 H ATOM 1266 HD21 LEU A 226 8.402 14.903 11.523 1.00 0.00 H ATOM 1267 HD22 LEU A 226 6.763 14.892 10.827 1.00 0.00 H ATOM 1268 HD23 LEU A 226 7.942 16.122 10.308 1.00 0.00 H ATOM 1269 HD11 LEU A 226 7.876 18.018 13.497 1.00 0.00 H ATOM 1270 HD12 LEU A 226 9.064 16.754 13.096 1.00 0.00 H ATOM 1271 HD13 LEU A 226 8.591 17.954 11.868 1.00 0.00 H ATOM 1272 H LEU A 226 4.193 16.399 13.204 1.00 0.00 H ATOM 1273 N GLN A 227 4.592 14.052 15.448 1.00 18.53 N ATOM 1274 CA GLN A 227 4.474 13.224 16.625 1.00 19.01 C ATOM 1275 C GLN A 227 3.872 11.886 16.283 1.00 18.49 C ATOM 1276 O GLN A 227 4.315 10.853 16.802 1.00 18.06 O ATOM 1277 CB GLN A 227 3.589 13.876 17.669 1.00 25.42 C ATOM 1278 CG GLN A 227 4.121 15.198 18.255 1.00 33.47 C ATOM 1279 CD GLN A 227 4.281 16.469 17.383 1.00 40.12 C ATOM 1280 OE1 GLN A 227 3.933 16.551 16.199 1.00 38.74 O ATOM 1281 NE2 GLN A 227 4.830 17.548 17.944 1.00 42.79 N ATOM 1282 HA GLN A 227 5.482 13.095 17.020 1.00 0.00 H ATOM 1283 HB2 GLN A 227 2.620 14.077 17.211 1.00 0.00 H ATOM 1284 HB3 GLN A 227 3.462 13.171 18.490 1.00 0.00 H ATOM 1285 HG2 GLN A 227 3.447 15.467 19.068 1.00 0.00 H ATOM 1286 HG3 GLN A 227 5.108 14.978 18.661 1.00 0.00 H ATOM 1287 HE22 GLN A 227 5.136 17.519 18.938 1.00 0.00 H ATOM 1288 HE21 GLN A 227 4.952 18.418 17.388 1.00 0.00 H ATOM 1289 H GLN A 227 4.084 14.959 15.432 1.00 0.00 H ATOM 1290 N GLN A 228 2.863 11.860 15.390 1.00 19.04 N ATOM 1291 CA GLN A 228 2.226 10.603 14.986 1.00 18.49 C ATOM 1292 C GLN A 228 3.137 9.806 14.101 1.00 15.43 C ATOM 1293 O GLN A 228 3.097 8.581 14.198 1.00 17.53 O ATOM 1294 CB GLN A 228 0.988 10.771 14.170 1.00 25.12 C ATOM 1295 CG GLN A 228 -0.099 11.583 14.800 1.00 35.30 C ATOM 1296 CD GLN A 228 -1.112 12.087 13.777 1.00 44.49 C ATOM 1297 OE1 GLN A 228 -1.442 11.470 12.746 1.00 48.81 O ATOM 1298 NE2 GLN A 228 -1.580 13.301 14.034 1.00 48.19 N ATOM 1299 HA GLN A 228 1.992 10.120 15.935 1.00 0.00 H ATOM 1300 HB2 GLN A 228 1.267 11.254 13.233 1.00 0.00 H ATOM 1301 HB3 GLN A 228 0.587 9.779 13.961 1.00 0.00 H ATOM 1302 HG2 GLN A 228 -0.618 10.966 15.533 1.00 0.00 H ATOM 1303 HG3 GLN A 228 0.349 12.441 15.302 1.00 0.00 H ATOM 1304 HE22 GLN A 228 -1.291 13.797 14.901 1.00 0.00 H ATOM 1305 HE21 GLN A 228 -2.236 13.757 13.368 1.00 0.00 H ATOM 1306 H GLN A 228 2.528 12.754 14.977 1.00 0.00 H ATOM 1307 N LEU A 229 3.946 10.462 13.244 1.00 15.22 N ATOM 1308 CA LEU A 229 4.893 9.761 12.383 1.00 13.86 C ATOM 1309 C LEU A 229 5.943 9.071 13.250 1.00 11.89 C ATOM 1310 O LEU A 229 6.261 7.889 13.029 1.00 12.07 O ATOM 1311 CB LEU A 229 5.570 10.751 11.399 1.00 13.04 C ATOM 1312 CG LEU A 229 6.635 10.221 10.408 1.00 14.47 C ATOM 1313 CD1 LEU A 229 6.661 11.144 9.226 1.00 16.06 C ATOM 1314 CD2 LEU A 229 8.031 10.149 11.030 1.00 13.70 C ATOM 1315 HA LEU A 229 4.360 9.013 11.796 1.00 0.00 H ATOM 1316 HB2 LEU A 229 4.776 11.201 10.803 1.00 0.00 H ATOM 1317 HB3 LEU A 229 6.051 11.521 12.002 1.00 0.00 H ATOM 1318 HG LEU A 229 6.365 9.205 10.120 1.00 0.00 H ATOM 1319 HD21 LEU A 229 8.336 11.145 11.350 1.00 0.00 H ATOM 1320 HD22 LEU A 229 8.010 9.480 11.890 1.00 0.00 H ATOM 1321 HD23 LEU A 229 8.738 9.771 10.291 1.00 0.00 H ATOM 1322 HD11 LEU A 229 5.678 11.157 8.755 1.00 0.00 H ATOM 1323 HD12 LEU A 229 6.919 12.150 9.558 1.00 0.00 H ATOM 1324 HD13 LEU A 229 7.404 10.794 8.510 1.00 0.00 H ATOM 1325 H LEU A 229 3.893 11.500 13.195 1.00 0.00 H ATOM 1326 N VAL A 230 6.492 9.757 14.259 1.00 11.15 N ATOM 1327 CA VAL A 230 7.492 9.116 15.116 1.00 14.43 C ATOM 1328 C VAL A 230 6.846 7.972 15.884 1.00 14.53 C ATOM 1329 O VAL A 230 7.428 6.888 15.945 1.00 17.32 O ATOM 1330 CB VAL A 230 8.118 10.122 16.109 1.00 13.03 C ATOM 1331 CG1 VAL A 230 8.990 9.401 17.125 1.00 10.86 C ATOM 1332 CG2 VAL A 230 8.973 11.086 15.329 1.00 11.56 C ATOM 1333 HA VAL A 230 8.289 8.734 14.478 1.00 0.00 H ATOM 1334 HB VAL A 230 7.323 10.646 16.640 1.00 0.00 H ATOM 1335 HG11 VAL A 230 8.383 8.687 17.681 1.00 0.00 H ATOM 1336 HG12 VAL A 230 9.790 8.873 16.606 1.00 0.00 H ATOM 1337 HG13 VAL A 230 9.420 10.128 17.814 1.00 0.00 H ATOM 1338 HG21 VAL A 230 9.757 10.536 14.809 1.00 0.00 H ATOM 1339 HG22 VAL A 230 8.354 11.613 14.602 1.00 0.00 H ATOM 1340 HG23 VAL A 230 9.424 11.805 16.013 1.00 0.00 H ATOM 1341 H VAL A 230 6.210 10.742 14.434 1.00 0.00 H ATOM 1342 N ALA A 231 5.641 8.135 16.439 1.00 17.23 N ATOM 1343 CA ALA A 231 4.918 7.033 17.103 1.00 17.96 C ATOM 1344 C ALA A 231 4.719 5.789 16.235 1.00 18.27 C ATOM 1345 O ALA A 231 4.972 4.635 16.625 1.00 18.38 O ATOM 1346 CB ALA A 231 3.552 7.554 17.543 1.00 17.90 C ATOM 1347 HA ALA A 231 5.535 6.716 17.944 1.00 0.00 H ATOM 1348 HB1 ALA A 231 3.687 8.385 18.236 1.00 0.00 H ATOM 1349 HB2 ALA A 231 2.996 7.895 16.670 1.00 0.00 H ATOM 1350 HB3 ALA A 231 3.001 6.754 18.037 1.00 0.00 H ATOM 1351 H ALA A 231 5.196 9.074 16.401 1.00 0.00 H ATOM 1352 N TYR A 232 4.329 5.988 14.981 1.00 16.83 N ATOM 1353 CA TYR A 232 4.129 4.877 14.096 1.00 15.27 C ATOM 1354 C TYR A 232 5.402 4.118 13.850 1.00 17.40 C ATOM 1355 O TYR A 232 5.400 2.887 14.003 1.00 17.71 O ATOM 1356 CB TYR A 232 3.550 5.417 12.784 1.00 15.67 C ATOM 1357 CG TYR A 232 3.307 4.334 11.760 1.00 18.22 C ATOM 1358 CD1 TYR A 232 2.097 3.649 11.771 1.00 18.39 C ATOM 1359 CD2 TYR A 232 4.291 4.026 10.817 1.00 19.65 C ATOM 1360 CE1 TYR A 232 1.888 2.641 10.829 1.00 21.50 C ATOM 1361 CE2 TYR A 232 4.091 3.027 9.865 1.00 23.52 C ATOM 1362 CZ TYR A 232 2.881 2.339 9.894 1.00 24.91 C ATOM 1363 OH TYR A 232 2.671 1.308 9.010 1.00 28.55 O ATOM 1364 HA TYR A 232 3.437 4.170 14.554 1.00 0.00 H ATOM 1365 HB3 TYR A 232 4.250 6.141 12.366 1.00 0.00 H ATOM 1366 HB2 TYR A 232 2.603 5.912 12.999 1.00 0.00 H ATOM 1367 HD2 TYR A 232 5.232 4.576 10.826 1.00 0.00 H ATOM 1368 HE2 TYR A 232 4.855 2.793 9.124 1.00 0.00 H ATOM 1369 HE1 TYR A 232 0.948 2.088 10.823 1.00 0.00 H ATOM 1370 HD1 TYR A 232 1.326 3.895 12.502 1.00 0.00 H ATOM 1371 HH TYR A 232 2.737 1.651 8.084 1.00 0.00 H ATOM 1372 H TYR A 232 4.167 6.957 14.638 1.00 0.00 H ATOM 1373 N TYR A 233 6.497 4.816 13.478 1.00 16.14 N ATOM 1374 CA TYR A 233 7.693 4.077 13.114 1.00 16.17 C ATOM 1375 C TYR A 233 8.455 3.602 14.320 1.00 17.23 C ATOM 1376 O TYR A 233 9.390 2.822 14.173 1.00 17.05 O ATOM 1377 CB TYR A 233 8.634 4.882 12.218 1.00 12.50 C ATOM 1378 CG TYR A 233 8.070 5.027 10.796 1.00 14.27 C ATOM 1379 CD1 TYR A 233 8.023 3.946 9.897 1.00 14.33 C ATOM 1380 CD2 TYR A 233 7.535 6.254 10.404 1.00 13.81 C ATOM 1381 CE1 TYR A 233 7.441 4.081 8.627 1.00 16.25 C ATOM 1382 CE2 TYR A 233 6.951 6.394 9.139 1.00 16.36 C ATOM 1383 CZ TYR A 233 6.905 5.312 8.262 1.00 16.13 C ATOM 1384 OH TYR A 233 6.313 5.514 7.035 1.00 20.81 O ATOM 1385 HA TYR A 233 7.334 3.213 12.554 1.00 0.00 H ATOM 1386 HB3 TYR A 233 9.597 4.374 12.167 1.00 0.00 H ATOM 1387 HB2 TYR A 233 8.771 5.874 12.648 1.00 0.00 H ATOM 1388 HD2 TYR A 233 7.572 7.105 11.084 1.00 0.00 H ATOM 1389 HE2 TYR A 233 6.530 7.354 8.839 1.00 0.00 H ATOM 1390 HE1 TYR A 233 7.409 3.236 7.939 1.00 0.00 H ATOM 1391 HD1 TYR A 233 8.446 2.986 10.192 1.00 0.00 H ATOM 1392 HH TYR A 233 6.345 4.674 6.512 1.00 0.00 H ATOM 1393 H TYR A 233 6.484 5.856 13.453 1.00 0.00 H ATOM 1394 N SER A 234 8.093 4.050 15.521 1.00 17.79 N ATOM 1395 CA SER A 234 8.611 3.406 16.732 1.00 22.48 C ATOM 1396 C SER A 234 7.987 2.025 16.884 1.00 22.94 C ATOM 1397 O SER A 234 8.565 1.146 17.517 1.00 24.12 O ATOM 1398 CB SER A 234 8.255 4.142 17.996 1.00 20.24 C ATOM 1399 OG SER A 234 8.833 5.431 17.927 1.00 29.90 O ATOM 1400 HA SER A 234 9.694 3.383 16.609 1.00 0.00 H ATOM 1401 HB2 SER A 234 8.647 3.606 18.860 1.00 0.00 H ATOM 1402 HB3 SER A 234 7.172 4.226 18.083 1.00 0.00 H ATOM 1403 HG SER A 234 8.474 5.910 17.138 1.00 0.00 H ATOM 1404 H SER A 234 7.442 4.857 15.600 1.00 0.00 H ATOM 1405 N LYS A 235 6.779 1.794 16.355 1.00 25.09 N ATOM 1406 CA LYS A 235 6.144 0.488 16.492 1.00 29.09 C ATOM 1407 C LYS A 235 6.495 -0.363 15.308 1.00 30.20 C ATOM 1408 O LYS A 235 6.566 -1.578 15.446 1.00 32.98 O ATOM 1409 CB LYS A 235 4.631 0.533 16.503 1.00 30.73 C ATOM 1410 CG LYS A 235 3.954 1.158 17.704 1.00 39.31 C ATOM 1411 CD LYS A 235 2.959 2.246 17.209 1.00 50.06 C ATOM 1412 CE LYS A 235 1.834 1.783 16.230 1.00 55.97 C ATOM 1413 NZ LYS A 235 1.146 2.878 15.538 1.00 57.96 N ATOM 1414 HA LYS A 235 6.503 0.099 17.445 1.00 0.00 H ATOM 1415 HB2 LYS A 235 4.315 1.093 15.623 1.00 0.00 H ATOM 1416 HB3 LYS A 235 4.274 -0.494 16.426 1.00 0.00 H ATOM 1417 HG2 LYS A 235 3.413 0.392 18.260 1.00 0.00 H ATOM 1418 HG3 LYS A 235 4.703 1.614 18.351 1.00 0.00 H ATOM 1419 HD2 LYS A 235 2.476 2.674 18.087 1.00 0.00 H ATOM 1420 HD3 LYS A 235 3.539 3.017 16.703 1.00 0.00 H ATOM 1421 HE2 LYS A 235 1.094 1.222 16.801 1.00 0.00 H ATOM 1422 HE3 LYS A 235 2.282 1.132 15.479 1.00 0.00 H ATOM 1423 HZ1 LYS A 235 0.701 3.504 16.239 1.00 0.00 H ATOM 1424 HZ2 LYS A 235 1.835 3.419 14.977 1.00 0.00 H ATOM 1425 HZ3 LYS A 235 0.416 2.485 14.909 1.00 0.00 H ATOM 1426 H LYS A 235 6.288 2.553 15.841 1.00 0.00 H ATOM 1427 N HIS A 236 6.625 0.197 14.103 1.00 30.98 N ATOM 1428 CA HIS A 236 6.873 -0.615 12.912 1.00 30.56 C ATOM 1429 C HIS A 236 7.909 0.033 12.036 1.00 25.36 C ATOM 1430 O HIS A 236 7.660 1.171 11.668 1.00 28.90 O ATOM 1431 CB HIS A 236 5.673 -0.758 11.990 1.00 32.93 C ATOM 1432 CG HIS A 236 4.335 -0.639 12.659 1.00 37.38 C ATOM 1433 ND1 HIS A 236 3.576 -1.595 13.190 1.00 39.26 N ATOM 1434 CD2 HIS A 236 3.710 0.569 12.804 1.00 37.94 C ATOM 1435 CE1 HIS A 236 2.503 -0.998 13.652 1.00 40.89 C ATOM 1436 NE2 HIS A 236 2.594 0.296 13.416 1.00 39.69 N ATOM 1437 HA HIS A 236 7.166 -1.583 13.319 1.00 0.00 H ATOM 1438 HB2 HIS A 236 5.739 0.018 11.227 1.00 0.00 H ATOM 1439 HB3 HIS A 236 5.727 -1.738 11.515 1.00 0.00 H ATOM 1440 HD2 HIS A 236 4.068 1.546 12.479 1.00 0.00 H ATOM 1441 HE1 HIS A 236 1.670 -1.493 14.151 1.00 0.00 H ATOM 1442 H HIS A 236 6.548 1.230 14.009 1.00 0.00 H ATOM 1443 N ALA A 237 8.983 -0.653 11.649 1.00 20.43 N ATOM 1444 CA ALA A 237 9.952 -0.090 10.733 1.00 19.38 C ATOM 1445 C ALA A 237 9.245 0.170 9.407 1.00 20.90 C ATOM 1446 O ALA A 237 9.423 1.207 8.786 1.00 20.66 O ATOM 1447 CB ALA A 237 11.057 -1.075 10.547 1.00 15.71 C ATOM 1448 HA ALA A 237 10.368 0.842 11.116 1.00 0.00 H ATOM 1449 HB1 ALA A 237 11.528 -1.277 11.509 1.00 0.00 H ATOM 1450 HB2 ALA A 237 10.652 -2.001 10.138 1.00 0.00 H ATOM 1451 HB3 ALA A 237 11.796 -0.665 9.859 1.00 0.00 H ATOM 1452 H ALA A 237 9.129 -1.616 12.014 1.00 0.00 H ATOM 1453 N ASP A 238 8.375 -0.742 8.950 1.00 23.44 N ATOM 1454 CA ASP A 238 7.586 -0.642 7.718 1.00 25.04 C ATOM 1455 C ASP A 238 8.284 0.045 6.533 1.00 25.60 C ATOM 1456 O ASP A 238 7.847 1.091 6.021 1.00 26.41 O ATOM 1457 CB ASP A 238 6.254 0.048 8.116 1.00 30.71 C ATOM 1458 CG ASP A 238 5.186 0.161 7.036 1.00 37.44 C ATOM 1459 OD1 ASP A 238 5.014 -0.740 6.213 1.00 42.70 O ATOM 1460 OD2 ASP A 238 4.534 1.192 6.996 1.00 42.40 O ATOM 1461 HA ASP A 238 7.423 -1.644 7.321 1.00 0.00 H ATOM 1462 HB2 ASP A 238 5.826 -0.516 8.945 1.00 0.00 H ATOM 1463 HB3 ASP A 238 6.493 1.058 8.450 1.00 0.00 H ATOM 1464 H ASP A 238 8.248 -1.601 9.523 1.00 0.00 H ATOM 1465 N GLY A 239 9.431 -0.556 6.152 1.00 24.11 N ATOM 1466 CA GLY A 239 10.245 -0.087 5.033 1.00 22.43 C ATOM 1467 C GLY A 239 11.499 0.700 5.436 1.00 22.32 C ATOM 1468 O GLY A 239 12.413 0.873 4.623 1.00 20.31 O ATOM 1469 HA3 GLY A 239 9.626 0.557 4.409 1.00 0.00 H ATOM 1470 HA2 GLY A 239 10.560 -0.956 4.455 1.00 0.00 H ATOM 1471 H GLY A 239 9.751 -1.393 6.680 1.00 0.00 H ATOM 1472 N LEU A 240 11.535 1.264 6.654 1.00 19.17 N ATOM 1473 CA LEU A 240 12.679 1.977 7.173 1.00 17.62 C ATOM 1474 C LEU A 240 13.732 0.934 7.468 1.00 17.75 C ATOM 1475 O LEU A 240 13.396 -0.239 7.645 1.00 19.90 O ATOM 1476 CB LEU A 240 12.299 2.663 8.438 1.00 19.05 C ATOM 1477 CG LEU A 240 12.289 4.145 8.497 1.00 21.80 C ATOM 1478 CD1 LEU A 240 11.662 4.794 7.308 1.00 19.64 C ATOM 1479 CD2 LEU A 240 11.529 4.469 9.751 1.00 21.92 C ATOM 1480 HA LEU A 240 13.041 2.723 6.465 1.00 0.00 H ATOM 1481 HB2 LEU A 240 11.292 2.330 8.688 1.00 0.00 H ATOM 1482 HB3 LEU A 240 12.994 2.321 9.204 1.00 0.00 H ATOM 1483 HG LEU A 240 13.308 4.531 8.498 1.00 0.00 H ATOM 1484 HD21 LEU A 240 10.522 4.059 9.680 1.00 0.00 H ATOM 1485 HD22 LEU A 240 12.041 4.032 10.608 1.00 0.00 H ATOM 1486 HD23 LEU A 240 11.474 5.551 9.872 1.00 0.00 H ATOM 1487 HD11 LEU A 240 12.210 4.510 6.410 1.00 0.00 H ATOM 1488 HD12 LEU A 240 10.626 4.467 7.222 1.00 0.00 H ATOM 1489 HD13 LEU A 240 11.694 5.877 7.428 1.00 0.00 H ATOM 1490 H LEU A 240 10.692 1.183 7.258 1.00 0.00 H ATOM 1491 N CYS A 241 15.006 1.316 7.555 1.00 16.72 N ATOM 1492 CA CYS A 241 16.080 0.371 7.837 1.00 16.81 C ATOM 1493 C CYS A 241 15.926 -0.305 9.201 1.00 20.17 C ATOM 1494 O CYS A 241 16.356 -1.456 9.393 1.00 21.67 O ATOM 1495 CB CYS A 241 17.425 1.110 7.781 1.00 17.21 C ATOM 1496 SG CYS A 241 17.587 2.554 8.868 1.00 19.89 S ATOM 1497 HA CYS A 241 16.036 -0.414 7.082 1.00 0.00 H ATOM 1498 HB2 CYS A 241 17.579 1.446 6.755 1.00 0.00 H ATOM 1499 HB3 CYS A 241 18.207 0.400 8.051 1.00 0.00 H ATOM 1500 HG CYS A 241 16.624 3.486 8.539 1.00 0.00 H ATOM 1501 H CYS A 241 15.241 2.320 7.417 1.00 0.00 H ATOM 1502 N HIS A 242 15.321 0.381 10.184 1.00 18.48 N ATOM 1503 CA HIS A 242 15.227 -0.146 11.517 1.00 18.83 C ATOM 1504 C HIS A 242 14.109 0.635 12.159 1.00 18.44 C ATOM 1505 O HIS A 242 13.901 1.798 11.855 1.00 21.20 O ATOM 1506 CB HIS A 242 16.562 0.090 12.240 1.00 18.10 C ATOM 1507 CG HIS A 242 16.676 -0.642 13.568 1.00 19.86 C ATOM 1508 ND1 HIS A 242 16.022 -0.409 14.703 1.00 18.40 N ATOM 1509 CD2 HIS A 242 17.470 -1.747 13.783 1.00 20.09 C ATOM 1510 CE1 HIS A 242 16.365 -1.325 15.586 1.00 19.63 C ATOM 1511 NE2 HIS A 242 17.236 -2.120 15.020 1.00 18.98 N ATOM 1512 HA HIS A 242 15.028 -1.217 11.549 1.00 0.00 H ATOM 1513 HB2 HIS A 242 17.370 -0.247 11.590 1.00 0.00 H ATOM 1514 HB3 HIS A 242 16.669 1.159 12.426 1.00 0.00 H ATOM 1515 HD2 HIS A 242 18.152 -2.215 13.073 1.00 0.00 H ATOM 1516 HE1 HIS A 242 15.990 -1.406 16.606 1.00 0.00 H ATOM 1517 H HIS A 242 14.912 1.314 9.976 1.00 0.00 H ATOM 1518 N ARG A 243 13.363 -0.027 13.026 1.00 18.76 N ATOM 1519 CA ARG A 243 12.353 0.580 13.892 1.00 20.46 C ATOM 1520 C ARG A 243 13.019 1.679 14.727 1.00 18.20 C ATOM 1521 O ARG A 243 14.191 1.531 15.076 1.00 17.55 O ATOM 1522 CB ARG A 243 11.813 -0.510 14.813 1.00 23.86 C ATOM 1523 CG ARG A 243 10.562 -0.247 15.590 1.00 29.09 C ATOM 1524 CD ARG A 243 10.213 -1.491 16.442 1.00 38.42 C ATOM 1525 NE ARG A 243 10.787 -1.391 17.775 1.00 46.56 N ATOM 1526 CZ ARG A 243 11.930 -2.008 18.128 1.00 52.79 C ATOM 1527 NH1 ARG A 243 12.651 -2.775 17.283 1.00 53.80 N ATOM 1528 NH2 ARG A 243 12.367 -1.842 19.377 1.00 53.90 N ATOM 1529 HA ARG A 243 11.542 1.014 13.307 1.00 0.00 H ATOM 1530 HB2 ARG A 243 11.627 -1.388 14.195 1.00 0.00 H ATOM 1531 HB3 ARG A 243 12.597 -0.736 15.536 1.00 0.00 H ATOM 1532 HG2 ARG A 243 10.714 0.611 16.245 1.00 0.00 H ATOM 1533 HG3 ARG A 243 9.744 -0.037 14.901 1.00 0.00 H ATOM 1534 HD2 ARG A 243 10.606 -2.381 15.951 1.00 0.00 H ATOM 1535 HD3 ARG A 243 9.129 -1.573 16.526 1.00 0.00 H ATOM 1536 HE ARG A 243 10.292 -0.817 18.487 1.00 0.00 H ATOM 1537 HH12 ARG A 243 13.528 -3.228 17.611 1.00 0.00 H ATOM 1538 HH11 ARG A 243 12.330 -2.913 16.304 1.00 0.00 H ATOM 1539 HH22 ARG A 243 13.246 -2.303 19.686 1.00 0.00 H ATOM 1540 HH21 ARG A 243 11.828 -1.251 20.042 1.00 0.00 H ATOM 1541 H ARG A 243 13.505 -1.055 13.098 1.00 0.00 H ATOM 1542 N LEU A 244 12.347 2.755 15.071 1.00 16.39 N ATOM 1543 CA LEU A 244 12.922 3.816 15.868 1.00 18.47 C ATOM 1544 C LEU A 244 12.978 3.336 17.321 1.00 21.43 C ATOM 1545 O LEU A 244 11.935 3.141 17.925 1.00 23.48 O ATOM 1546 CB LEU A 244 12.034 5.031 15.703 1.00 14.28 C ATOM 1547 CG LEU A 244 11.787 5.541 14.295 1.00 14.80 C ATOM 1548 CD1 LEU A 244 11.090 6.908 14.378 1.00 10.93 C ATOM 1549 CD2 LEU A 244 13.106 5.587 13.542 1.00 10.61 C ATOM 1550 HA LEU A 244 13.934 4.077 15.559 1.00 0.00 H ATOM 1551 HB2 LEU A 244 11.064 4.786 16.135 1.00 0.00 H ATOM 1552 HB3 LEU A 244 12.487 5.845 16.269 1.00 0.00 H ATOM 1553 HG LEU A 244 11.128 4.874 13.740 1.00 0.00 H ATOM 1554 HD21 LEU A 244 13.795 6.256 14.058 1.00 0.00 H ATOM 1555 HD22 LEU A 244 13.534 4.585 13.499 1.00 0.00 H ATOM 1556 HD23 LEU A 244 12.933 5.953 12.530 1.00 0.00 H ATOM 1557 HD11 LEU A 244 10.141 6.799 14.904 1.00 0.00 H ATOM 1558 HD12 LEU A 244 11.728 7.608 14.918 1.00 0.00 H ATOM 1559 HD13 LEU A 244 10.908 7.283 13.371 1.00 0.00 H ATOM 1560 H LEU A 244 11.360 2.847 14.757 1.00 0.00 H ATOM 1561 N THR A 245 14.132 3.078 17.921 1.00 23.85 N ATOM 1562 CA THR A 245 14.196 2.503 19.252 1.00 22.09 C ATOM 1563 C THR A 245 14.542 3.585 20.243 1.00 21.64 C ATOM 1564 O THR A 245 13.889 3.689 21.270 1.00 25.61 O ATOM 1565 CB THR A 245 15.268 1.363 19.367 1.00 18.93 C ATOM 1566 OG1 THR A 245 16.569 1.885 19.044 1.00 23.39 O ATOM 1567 CG2 THR A 245 14.949 0.221 18.458 1.00 18.43 C ATOM 1568 HA THR A 245 13.219 2.067 19.462 1.00 0.00 H ATOM 1569 HB THR A 245 15.259 0.995 20.393 1.00 0.00 H ATOM 1570 HG1 THR A 245 17.241 1.162 19.118 1.00 0.00 H ATOM 1571 HG23 THR A 245 13.963 -0.173 18.704 1.00 0.00 H ATOM 1572 HG21 THR A 245 14.955 0.568 17.425 1.00 0.00 H ATOM 1573 HG22 THR A 245 15.697 -0.562 18.584 1.00 0.00 H ATOM 1574 H THR A 245 15.019 3.294 17.422 1.00 0.00 H ATOM 1575 N THR A 246 15.502 4.455 19.985 1.00 21.43 N ATOM 1576 CA THR A 246 15.994 5.332 21.032 1.00 20.41 C ATOM 1577 C THR A 246 16.116 6.746 20.547 1.00 17.40 C ATOM 1578 O THR A 246 16.700 6.946 19.482 1.00 16.48 O ATOM 1579 CB THR A 246 17.379 4.810 21.493 1.00 21.43 C ATOM 1580 OG1 THR A 246 17.157 3.453 21.856 1.00 26.10 O ATOM 1581 CG2 THR A 246 17.995 5.544 22.676 1.00 22.19 C ATOM 1582 HA THR A 246 15.288 5.330 21.862 1.00 0.00 H ATOM 1583 HB THR A 246 18.091 4.959 20.681 1.00 0.00 H ATOM 1584 HG1 THR A 246 16.820 2.953 21.071 1.00 0.00 H ATOM 1585 HG23 THR A 246 18.168 6.586 22.405 1.00 0.00 H ATOM 1586 HG21 THR A 246 17.314 5.496 23.526 1.00 0.00 H ATOM 1587 HG22 THR A 246 18.942 5.074 22.941 1.00 0.00 H ATOM 1588 H THR A 246 15.907 4.512 19.029 1.00 0.00 H ATOM 1589 N VAL A 247 15.554 7.701 21.293 1.00 13.68 N ATOM 1590 CA VAL A 247 15.745 9.120 21.020 1.00 16.30 C ATOM 1591 C VAL A 247 17.225 9.432 21.254 1.00 18.15 C ATOM 1592 O VAL A 247 17.801 9.087 22.298 1.00 18.97 O ATOM 1593 CB VAL A 247 14.924 9.993 21.973 1.00 18.05 C ATOM 1594 CG1 VAL A 247 15.202 11.430 21.631 1.00 19.20 C ATOM 1595 CG2 VAL A 247 13.434 9.751 21.826 1.00 16.26 C ATOM 1596 HA VAL A 247 15.427 9.332 19.999 1.00 0.00 H ATOM 1597 HB VAL A 247 15.207 9.748 22.997 1.00 0.00 H ATOM 1598 HG11 VAL A 247 16.266 11.632 21.753 1.00 0.00 H ATOM 1599 HG12 VAL A 247 14.911 11.619 20.598 1.00 0.00 H ATOM 1600 HG13 VAL A 247 14.629 12.078 22.295 1.00 0.00 H ATOM 1601 HG21 VAL A 247 13.129 9.981 20.805 1.00 0.00 H ATOM 1602 HG22 VAL A 247 13.213 8.706 22.046 1.00 0.00 H ATOM 1603 HG23 VAL A 247 12.893 10.392 22.522 1.00 0.00 H ATOM 1604 H VAL A 247 14.958 7.422 22.098 1.00 0.00 H ATOM 1605 N CYS A 248 17.866 10.087 20.305 1.00 17.09 N ATOM 1606 CA CYS A 248 19.262 10.481 20.456 1.00 19.55 C ATOM 1607 C CYS A 248 19.443 11.378 21.682 1.00 18.41 C ATOM 1608 O CYS A 248 18.679 12.328 21.811 1.00 18.15 O ATOM 1609 CB CYS A 248 19.704 11.237 19.220 1.00 18.46 C ATOM 1610 SG CYS A 248 21.457 11.625 19.180 1.00 21.73 S ATOM 1611 HA CYS A 248 19.865 9.582 20.586 1.00 0.00 H ATOM 1612 HB2 CYS A 248 19.146 12.172 19.173 1.00 0.00 H ATOM 1613 HB3 CYS A 248 19.468 10.630 18.346 1.00 0.00 H ATOM 1614 HG CYS A 248 21.778 12.408 20.270 1.00 0.00 H ATOM 1615 H CYS A 248 17.363 10.328 19.427 1.00 0.00 H ATOM 1616 N PRO A 249 20.371 11.140 22.608 1.00 20.22 N ATOM 1617 CA PRO A 249 20.594 12.002 23.753 1.00 21.80 C ATOM 1618 C PRO A 249 21.144 13.354 23.304 1.00 21.77 C ATOM 1619 O PRO A 249 21.894 13.464 22.316 1.00 22.08 O ATOM 1620 CB PRO A 249 21.558 11.237 24.633 1.00 19.76 C ATOM 1621 CG PRO A 249 21.586 9.859 24.045 1.00 20.13 C ATOM 1622 CD PRO A 249 21.383 10.099 22.562 1.00 18.95 C ATOM 1623 HA PRO A 249 19.679 12.235 24.297 1.00 0.00 H ATOM 1624 HD3 PRO A 249 22.297 10.445 22.080 1.00 0.00 H ATOM 1625 HD2 PRO A 249 21.021 9.205 22.054 1.00 0.00 H ATOM 1626 HG3 PRO A 249 20.783 9.245 24.453 1.00 0.00 H ATOM 1627 HG2 PRO A 249 22.544 9.375 24.233 1.00 0.00 H ATOM 1628 HB2 PRO A 249 22.549 11.689 24.604 1.00 0.00 H ATOM 1629 HB3 PRO A 249 21.202 11.210 25.663 1.00 0.00 H ATOM 1630 OXT PRO A 249 20.796 14.305 23.981 1.00 26.80 O TER 1631 PRO A 249 HETATM 1632 O HOH 1 20.927 8.222 3.810 1.00 12.00 O HETATM 1633 O HOH 2 15.566 2.208 3.905 1.00 45.97 O HETATM 1634 O HOH 3 23.932 4.518 17.034 1.00 33.95 O HETATM 1635 O HOH 4 17.095 14.187 23.200 1.00 20.72 O HETATM 1636 O HOH 5 5.242 7.661 5.530 1.00 18.45 O HETATM 1637 O HOH 6 -1.371 7.489 2.288 1.00 25.46 O HETATM 1638 O HOH 7 12.746 17.254 3.579 1.00 39.42 O HETATM 1639 O HOH 8 18.282 -4.307 16.524 1.00 37.86 O HETATM 1640 O HOH 9 27.026 6.955 8.590 1.00 45.34 O HETATM 1641 O HOH 10 24.507 11.765 21.444 1.00 39.15 O HETATM 1642 O HOH 11 3.918 18.332 13.442 1.00 29.47 O HETATM 1643 O HOH 12 13.960 -2.880 13.188 1.00 38.91 O HETATM 1644 O HOH 13 22.993 19.366 6.241 1.00 30.10 O HETATM 1645 O HOH 14 8.039 18.684 1.665 1.00 33.65 O HETATM 1646 O HOH 15 20.115 -5.847 15.067 1.00 65.66 O HETATM 1647 O HOH 16 5.715 11.153 19.500 1.00 43.22 O HETATM 1648 O HOH 17 24.810 21.814 12.689 1.00 28.72 O HETATM 1649 O HOH 18 -2.418 7.126 5.412 1.00 41.76 O HETATM 1650 O HOH 19 -3.550 9.470 7.651 1.00 67.68 O HETATM 1651 O HOH 20 10.875 10.651 1.386 1.00 24.90 O HETATM 1652 O HOH 21 5.763 5.678 -2.550 1.00 57.36 O HETATM 1653 O HOH 22 3.477 17.921 -4.731 1.00 51.11 O HETATM 1654 O HOH 23 -4.357 19.702 -1.290 1.00 63.84 O HETATM 1655 O HOH 24 5.760 3.365 5.412 1.00 37.84 O HETATM 1656 O HOH 25 21.448 -2.076 19.372 1.00 30.48 O HETATM 1657 O HOH 26 30.062 13.387 11.296 1.00 42.25 O HETATM 1658 O HOH 27 26.278 18.300 6.618 1.00 32.83 O HETATM 1659 O HOH 28 18.600 -1.978 19.314 1.00 33.93 O HETATM 1660 O HOH 29 16.864 -0.641 21.621 1.00 40.74 O HETATM 1661 O HOH 30 4.196 16.232 -1.458 1.00 51.16 O HETATM 1662 O HOH 31 9.465 14.467 23.556 1.00 57.72 O HETATM 1663 O HOH 32 22.113 6.352 24.447 1.00 67.60 O HETATM 1664 O HOH 33 30.244 10.093 17.740 1.00 67.31 O HETATM 1665 O HOH 34 9.368 -3.458 12.880 1.00 54.02 O HETATM 1666 O HOH 35 13.688 10.271 1.434 1.00 18.85 O HETATM 1667 O HOH 36 13.207 0.971 -1.250 1.00 47.27 O HETATM 1668 O HOH 37 10.634 7.213 -0.088 1.00 55.53 O HETATM 1669 C ACE A 38 20.764 10.956 0.763 1.00 0.12 C HETATM 1670 O ACE A 38 21.051 10.568 1.895 1.00 -0.56 O HETATM 1671 N ACE A 38 19.519 10.908 0.316 1.00 -0.29 N HETATM 1672 H1 ACE A 38 19.353 11.123 -0.646 1.00 0.17 H HETATM 1673 CA ACE A 38 18.388 10.561 1.144 1.00 0.13 C HETATM 1674 C ACE A 38 17.853 9.264 0.621 1.00 0.20 C HETATM 1675 O ACE A 38 17.670 9.150 -0.593 1.00 -0.39 O HETATM 1676 N ACE A 38 17.657 8.282 1.500 1.00 -0.26 N HETATM 1677 H10 ACE A 38 17.886 8.462 2.457 1.00 0.19 H HETATM 1678 CA ACE A 38 17.133 6.965 1.167 1.00 0.13 C HETATM 1679 C ACE A 38 15.659 7.044 0.845 1.00 0.20 C HETATM 1680 O ACE A 38 14.881 7.765 1.479 1.00 -0.39 O HETATM 1681 N ACE A 38 15.284 6.356 -0.220 1.00 -0.26 N HETATM 1682 H16 ACE A 38 15.981 5.913 -0.784 1.00 0.19 H HETATM 1683 CA ACE A 38 13.889 6.227 -0.592 1.00 0.13 C HETATM 1684 C ACE A 38 13.452 4.889 -0.022 1.00 0.20 C HETATM 1685 O ACE A 38 14.163 3.874 -0.064 1.00 -0.39 O HETATM 1686 N ACE A 38 12.367 4.951 0.706 1.00 -0.27 N HETATM 1687 H22 ACE A 38 11.944 5.842 0.871 1.00 0.19 H HETATM 1688 CA ACE A 38 11.761 3.771 1.279 1.00 0.10 C HETATM 1689 C ACE A 38 10.713 3.326 0.219 1.00 0.06 C HETATM 1690 OXT ACE A 38 10.561 2.113 0.030 1.00 -0.57 O HETATM 1691 O ACE A 38 10.151 4.151 -0.530 1.00 -0.57 O HETATM 1692 CB ACE A 38 11.213 4.198 2.676 1.00 -0.01 C HETATM 1693 H24 ACE A 38 12.054 4.266 3.381 1.00 0.03 H HETATM 1694 CG1 ACE A 38 10.206 3.234 3.200 1.00 -0.05 C HETATM 1695 H25 ACE A 38 10.693 2.261 3.362 1.00 0.03 H HETATM 1696 H26 ACE A 38 9.399 3.122 2.461 1.00 0.03 H HETATM 1697 CD1 ACE A 38 9.597 3.723 4.541 1.00 -0.06 C HETATM 1698 H30 ACE A 38 8.860 2.989 4.898 1.00 0.02 H HETATM 1699 H31 ACE A 38 9.103 4.694 4.387 1.00 0.02 H HETATM 1700 H32 ACE A 38 10.396 3.833 5.288 1.00 0.02 H HETATM 1701 CG2 ACE A 38 10.530 5.530 2.569 1.00 -0.06 C HETATM 1702 H27 ACE A 38 11.240 6.276 2.184 1.00 0.02 H HETATM 1703 H28 ACE A 38 10.175 5.841 3.562 1.00 0.02 H HETATM 1704 H29 ACE A 38 9.675 5.449 1.882 1.00 0.02 H HETATM 1705 H23 ACE A 38 12.499 2.967 1.418 1.00 0.07 H HETATM 1706 CB ACE A 38 13.732 6.261 -2.106 1.00 -0.00 C HETATM 1707 H18 ACE A 38 12.687 6.033 -2.364 1.00 0.03 H HETATM 1708 H19 ACE A 38 14.394 5.505 -2.553 1.00 0.03 H HETATM 1709 CG ACE A 38 14.098 7.644 -2.669 1.00 0.00 C HETATM 1710 H20 ACE A 38 13.928 7.619 -3.756 1.00 0.04 H HETATM 1711 H21 ACE A 38 15.166 7.815 -2.469 1.00 0.04 H HETATM 1712 CD ACE A 38 13.313 8.850 -2.098 1.00 0.04 C HETATM 1713 OE1 ACE A 38 12.065 8.797 -2.051 1.00 -0.57 O HETATM 1714 OE2 ACE A 38 13.957 9.847 -1.701 1.00 -0.57 O HETATM 1715 H17 ACE A 38 13.297 7.042 -0.149 1.00 0.08 H HETATM 1716 CB ACE A 38 17.263 5.976 2.313 1.00 -0.00 C HETATM 1717 H12 ACE A 38 16.688 5.075 2.056 1.00 0.03 H HETATM 1718 H13 ACE A 38 16.836 6.438 3.216 1.00 0.03 H HETATM 1719 CG ACE A 38 18.700 5.552 2.627 1.00 0.00 C HETATM 1720 H14 ACE A 38 18.687 5.012 3.585 1.00 0.04 H HETATM 1721 H15 ACE A 38 19.303 6.466 2.730 1.00 0.04 H HETATM 1722 CD ACE A 38 19.378 4.669 1.614 1.00 0.04 C HETATM 1723 OE1 ACE A 38 18.699 4.179 0.749 1.00 -0.57 O HETATM 1724 OE2 ACE A 38 20.572 4.441 1.670 1.00 -0.57 O HETATM 1725 H11 ACE A 38 17.683 6.583 0.294 1.00 0.08 H HETATM 1726 CB ACE A 38 17.350 11.599 1.017 1.00 0.01 C HETATM 1727 H3 ACE A 38 16.421 11.245 1.487 1.00 0.05 H HETATM 1728 H4 ACE A 38 17.168 11.804 -0.048 1.00 0.05 H HETATM 1729 CG ACE A 38 17.804 12.865 1.699 1.00 -0.05 C HETATM 1730 CD2 ACE A 38 18.443 13.860 0.980 1.00 -0.07 C HETATM 1731 H6 ACE A 38 18.567 13.750 -0.091 1.00 0.05 H HETATM 1732 CE2 ACE A 38 18.921 14.984 1.605 1.00 -0.04 C HETATM 1733 CZ ACE A 38 18.733 15.094 2.963 1.00 0.08 C HETATM 1734 CE1 ACE A 38 18.088 14.112 3.705 1.00 -0.04 C HETATM 1735 CD1 ACE A 38 17.618 12.989 3.061 1.00 -0.07 C HETATM 1736 H5 ACE A 38 17.108 12.211 3.618 1.00 0.05 H HETATM 1737 H7 ACE A 38 17.957 14.228 4.775 1.00 0.05 H HETATM 1738 OH ACE A 38 19.152 16.289 3.641 1.00 -0.34 O HETATM 1739 H9 ACE A 38 19.576 16.871 3.021 1.00 0.25 H HETATM 1740 H8 ACE A 38 19.431 15.761 1.046 1.00 0.05 H HETATM 1741 H2 ACE A 38 18.695 10.459 2.195 1.00 0.08 H HETATM 1742 O1 ACE A 38 21.672 11.407 0.015 1.00 -0.56 O CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 620 621 629 630 631 CONECT 629 620 CONECT 630 620 CONECT 631 620 CONECT 1669 1670 1671 1742 CONECT 1670 1669 CONECT 1671 1669 1672 1673 CONECT 1672 1671 CONECT 1673 1671 1674 1726 1741 CONECT 1674 1673 1675 1676 CONECT 1675 1674 CONECT 1676 1674 1677 1678 CONECT 1677 1676 CONECT 1678 1676 1679 1716 1725 CONECT 1679 1678 1680 1681 CONECT 1680 1679 CONECT 1681 1679 1682 1683 CONECT 1682 1681 CONECT 1683 1681 1684 1706 1715 CONECT 1684 1683 1685 1686 CONECT 1685 1684 CONECT 1686 1684 1687 1688 CONECT 1687 1686 CONECT 1688 1686 1689 1692 1705 CONECT 1689 1688 1690 1691 CONECT 1690 1689 CONECT 1691 1689 CONECT 1692 1688 1693 1694 1701 CONECT 1693 1692 CONECT 1694 1692 1695 1696 1697 CONECT 1695 1694 CONECT 1696 1694 CONECT 1697 1694 1698 1699 1700 CONECT 1698 1697 CONECT 1699 1697 CONECT 1700 1697 CONECT 1701 1692 1702 1703 1704 CONECT 1702 1701 CONECT 1703 1701 CONECT 1704 1701 CONECT 1705 1688 CONECT 1706 1683 1707 1708 1709 CONECT 1707 1706 CONECT 1708 1706 CONECT 1709 1706 1710 1711 1712 CONECT 1710 1709 CONECT 1711 1709 CONECT 1712 1709 1713 1714 CONECT 1713 1712 CONECT 1714 1712 CONECT 1715 1683 CONECT 1716 1678 1717 1718 1719 CONECT 1717 1716 CONECT 1718 1716 CONECT 1719 1716 1720 1721 1722 CONECT 1720 1719 CONECT 1721 1719 CONECT 1722 1719 1723 1724 CONECT 1723 1722 CONECT 1724 1722 CONECT 1725 1678 CONECT 1726 1673 1727 1728 1729 CONECT 1727 1726 CONECT 1728 1726 CONECT 1729 1726 1730 1735 CONECT 1730 1729 1731 1732 CONECT 1731 1730 CONECT 1732 1730 1733 1740 CONECT 1733 1732 1734 1738 CONECT 1734 1733 1735 1737 CONECT 1735 1729 1734 1736 CONECT 1736 1735 CONECT 1737 1734 CONECT 1738 1733 1739 CONECT 1739 1738 CONECT 1740 1732 CONECT 1741 1673 CONECT 1742 1669 MASTER 0 0 0 0 0 0 0 0 1740 2 82 8 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1shd
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%
1o4m
RCSB PDB
PDBbind
108aa, >1O4M_1|Chain... at 100%
1o4n
RCSB PDB
PDBbind
108aa, >1O4N_1|Chain... at 100%
1o4o
RCSB PDB
PDBbind
108aa, >1O4O_1|Chain... at 100%
1o4p
RCSB PDB
PDBbind
108aa, >1O4P_1|Chain... at 100%
1o4q
RCSB PDB
PDBbind
108aa, >1O4Q_1|Chain... at 100%
1o4r
RCSB PDB
PDBbind
108aa, >1O4R_1|Chain... at 100%
1prl
RCSB PDB
PDBbind
64aa, >1PRL_1|Chain... at 96%
1prm
RCSB PDB
PDBbind
64aa, >1PRM_1|Chain... at 96%
1rlp
RCSB PDB
PDBbind
64aa, >1RLP_1|Chain... at 96%
1rlq
RCSB PDB
PDBbind
64aa, >1RLQ_1|Chain... at 96%
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
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
1cpi
RCSB PDB
PDBbind
5-mer
1f1j
RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
1iau
RCSB PDB
PDBbind
5-mer
1jq8
RCSB PDB
PDBbind
5-mer
1jq9
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
5-mer
3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
5-mer
3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
5-mer
3gjt
RCSB PDB
PDBbind
5-mer
3ibc
RCSB PDB
PDBbind
5-mer
3iqg
RCSB PDB
PDBbind
5-mer
3iqh
RCSB PDB
PDBbind
5-mer
3iqi
RCSB PDB
PDBbind
5-mer
3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
3mp1
RCSB PDB
PDBbind
5-mer
3nin
RCSB PDB
PDBbind
5-mer
3nzw
RCSB PDB
PDBbind
5-mer
3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
5-mer
3oyp
RCSB PDB
PDBbind
5-mer
3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8n
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
1shd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
c-src tyrosine kinase (sh2 domain)
Ligand Name
5-mer
EC.Number
E.C.2.7.1.112
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
IC50=0.67uM
Release Year
1995
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v269 pp. 31711-9, 1994
Ligand Properties
Formula
C
2
6
H
3
6
N
4
O
1
2
Molecular Weight
596.584
Exact Mass
596.233
No. of atoms
78
No. of bonds
78
Polar Surface Area
268.76
LOGP Value
5.39 (
Computed with XLOGP3
)
1.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 19
No. of Nitrogen and Oxygen Atoms: 16
No. of Rings: 1
Canonical SMILES
CC[C@@H]([C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)O)CCC(=O)O)CCC(=O)O)C
InChI String
InChI=1S/C26H36N4O12/c1-3-13(2)21(25(39)40)30-23(37)17(9-11-20(34)35)27-22(36)16(8-10-19(32)33)28-24(38)18(29-26(41)42)12-14-4-6-15(31)7-5-14/h4-7,13,16-18,21,29,31H,3,8-12H2,1-2H3,(H,27,36)(H,28,38)(H,30,37)(H,32,33)(H,34,35)(H,39,40)(H,41,42)/t13-,16-,17-,18-,21-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P12931
Entrez Gene ID
NCBI Entrez Gene ID:
6714
ASD
Information of known allosteric effects of PDB entries
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