Browse entries in the PDBbind-CN Database
HEADER 6PXC_COMPLEX COMPND 6PXC_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 104 THR ALA PRO PRO THR ASN GLN TRP TYR HIS GLY LYS LEU SEQRES 2 A 104 ASP ARG THR ILE ALA GLU GLU ARG LEU ARG GLN ALA GLY SEQRES 3 A 104 LYS SER GLY SER TYR LEU ILE ARG GLU SER ASP ARG ARG SEQRES 4 A 104 PRO GLY SER PHE VAL LEU SER PHE LEU SER GLN MET ASN SEQRES 5 A 104 VAL VAL ASN HIS PHE ARG ILE ILE ALA MET SER GLY ASP SEQRES 6 A 104 TYR TYR ILE GLY GLY ARG ARG PHE SER SER LEU SER ASP SEQRES 7 A 104 LEU ILE GLY TYR TYR SER HIS VAL SER SER LEU LEU LYS SEQRES 8 A 104 GLY GLU LYS LEU LEU TYR PRO VAL ALA PRO PRO GLU PRO HET ACE A 161 190 ATOM 1 N THR A 174 35.472 7.658 41.988 1.00 86.33 N ATOM 2 CA THR A 174 35.468 9.045 42.413 1.00 82.03 C ATOM 3 C THR A 174 36.249 9.949 41.477 1.00 78.91 C ATOM 4 O THR A 174 37.372 9.628 41.085 1.00 75.11 O ATOM 5 HN3 THR A 174 36.451 7.310 41.953 1.00 0.00 H ATOM 6 HN2 THR A 174 35.043 7.585 41.043 1.00 0.00 H ATOM 7 HN1 THR A 174 34.924 7.088 42.664 1.00 0.00 H ATOM 8 N ALA A 175 35.642 11.079 41.115 1.00 68.05 N ATOM 9 CA ALA A 175 36.252 12.104 40.279 1.00 63.10 C ATOM 10 C ALA A 175 35.449 13.391 40.425 1.00 60.18 C ATOM 11 O ALA A 175 34.236 13.333 40.661 1.00 56.98 O ATOM 12 CB ALA A 175 36.300 11.659 38.815 1.00 61.26 C ATOM 13 H ALA A 175 34.671 11.239 41.451 1.00 0.00 H ATOM 14 N PRO A 176 36.075 14.562 40.298 1.00 61.23 N ATOM 15 CA PRO A 176 35.344 15.831 40.501 1.00 62.33 C ATOM 16 C PRO A 176 34.208 15.976 39.507 1.00 68.17 C ATOM 17 O PRO A 176 34.233 15.362 38.428 1.00 74.97 O ATOM 18 CB PRO A 176 36.425 16.904 40.275 1.00 56.83 C ATOM 19 CG PRO A 176 37.725 16.190 40.490 1.00 56.74 C ATOM 20 CD PRO A 176 37.497 14.797 39.998 1.00 55.54 C ATOM 21 N PRO A 177 33.188 16.769 39.828 1.00 64.84 N ATOM 22 CA PRO A 177 32.066 16.937 38.899 1.00 64.87 C ATOM 23 C PRO A 177 32.490 17.650 37.621 1.00 61.68 C ATOM 24 O PRO A 177 33.509 18.340 37.567 1.00 58.77 O ATOM 25 CB PRO A 177 31.063 17.775 39.698 1.00 75.76 C ATOM 26 CG PRO A 177 31.902 18.502 40.703 1.00 76.92 C ATOM 27 CD PRO A 177 33.010 17.556 41.062 1.00 68.95 C ATOM 28 N THR A 178 31.660 17.476 36.585 1.00 64.96 N ATOM 29 CA THR A 178 31.989 17.946 35.238 1.00 57.30 C ATOM 30 C THR A 178 32.241 19.453 35.205 1.00 45.81 C ATOM 31 O THR A 178 33.135 19.927 34.491 1.00 43.97 O ATOM 32 CB THR A 178 30.857 17.564 34.279 1.00 61.44 C ATOM 33 OG1 THR A 178 30.647 16.148 34.329 1.00 64.15 O ATOM 34 CG2 THR A 178 31.181 17.969 32.851 1.00 58.29 C ATOM 35 HG1 THR A 178 29.915 15.902 33.709 1.00 0.00 H ATOM 36 H THR A 178 30.753 16.992 36.742 1.00 0.00 H ATOM 37 N ASN A 179 31.460 20.218 35.972 1.00 49.75 N ATOM 38 CA ASN A 179 31.623 21.666 36.034 1.00 48.11 C ATOM 39 C ASN A 179 33.004 22.080 36.514 1.00 55.13 C ATOM 40 O ASN A 179 33.405 23.228 36.291 1.00 53.65 O ATOM 41 CB ASN A 179 30.578 22.266 36.970 1.00 59.47 C ATOM 42 CG ASN A 179 30.769 21.819 38.404 1.00 79.54 C ATOM 43 OD1 ASN A 179 30.292 20.758 38.801 1.00 92.27 O ATOM 44 ND2 ASN A 179 31.483 22.621 39.186 1.00 88.74 N ATOM 45 HD22 ASN A 179 31.867 23.510 38.807 1.00 0.00 H ATOM 46 HD21 ASN A 179 31.658 22.360 40.177 1.00 0.00 H ATOM 47 H ASN A 179 30.715 19.769 36.541 1.00 0.00 H ATOM 48 N GLN A 180 33.729 21.187 37.177 1.00 45.41 N ATOM 49 CA GLN A 180 35.047 21.512 37.694 1.00 43.38 C ATOM 50 C GLN A 180 36.157 21.313 36.681 1.00 48.05 C ATOM 51 O GLN A 180 37.295 21.714 36.954 1.00 43.78 O ATOM 52 CB GLN A 180 35.350 20.672 38.930 1.00 52.34 C ATOM 53 CG GLN A 180 34.546 21.082 40.131 1.00 63.98 C ATOM 54 CD GLN A 180 35.326 20.910 41.406 1.00 78.66 C ATOM 55 OE1 GLN A 180 35.359 19.824 41.980 1.00 88.46 O ATOM 56 NE2 GLN A 180 35.973 21.982 41.854 1.00 82.03 N ATOM 57 HE22 GLN A 180 35.915 22.880 41.333 1.00 0.00 H ATOM 58 HE21 GLN A 180 36.537 21.922 42.725 1.00 0.00 H ATOM 59 H GLN A 180 33.344 20.233 37.330 1.00 0.00 H ATOM 60 N TRP A 181 35.875 20.708 35.530 1.00 37.88 N ATOM 61 CA TRP A 181 36.966 20.482 34.589 1.00 33.75 C ATOM 62 C TRP A 181 36.575 20.493 33.119 1.00 34.97 C ATOM 63 O TRP A 181 37.472 20.360 32.279 1.00 33.44 O ATOM 64 CB TRP A 181 37.692 19.156 34.909 1.00 35.05 C ATOM 65 CG TRP A 181 36.801 17.985 35.239 1.00 35.95 C ATOM 66 CD1 TRP A 181 36.627 17.415 36.465 1.00 38.60 C ATOM 67 CD2 TRP A 181 35.976 17.246 34.331 1.00 38.48 C ATOM 68 NE1 TRP A 181 35.733 16.373 36.383 1.00 41.31 N ATOM 69 CE2 TRP A 181 35.318 16.250 35.082 1.00 42.70 C ATOM 70 CE3 TRP A 181 35.724 17.332 32.957 1.00 35.68 C ATOM 71 CZ2 TRP A 181 34.436 15.341 34.505 1.00 47.04 C ATOM 72 CZ3 TRP A 181 34.843 16.422 32.384 1.00 37.80 C ATOM 73 CH2 TRP A 181 34.207 15.446 33.160 1.00 41.26 C ATOM 74 HE1 TRP A 181 35.423 15.777 37.177 1.00 0.00 H ATOM 75 H TRP A 181 34.905 20.405 35.308 1.00 0.00 H ATOM 76 N TYR A 182 35.301 20.647 32.756 1.00 37.48 N ATOM 77 CA TYR A 182 34.926 20.609 31.344 1.00 35.53 C ATOM 78 C TYR A 182 34.793 22.022 30.786 1.00 32.74 C ATOM 79 O TYR A 182 34.080 22.861 31.346 1.00 35.70 O ATOM 80 CB TYR A 182 33.623 19.850 31.116 1.00 36.30 C ATOM 81 CG TYR A 182 33.341 19.702 29.647 1.00 41.44 C ATOM 82 CD1 TYR A 182 34.193 18.953 28.841 1.00 38.32 C ATOM 83 CD2 TYR A 182 32.246 20.323 29.056 1.00 43.74 C ATOM 84 CE1 TYR A 182 33.952 18.814 27.485 1.00 41.94 C ATOM 85 CE2 TYR A 182 32.001 20.193 27.698 1.00 44.99 C ATOM 86 CZ TYR A 182 32.855 19.436 26.924 1.00 46.30 C ATOM 87 OH TYR A 182 32.625 19.302 25.574 1.00 47.14 O ATOM 88 HH TYR A 182 32.643 20.195 25.147 1.00 0.00 H ATOM 89 H TYR A 182 34.571 20.795 33.481 1.00 0.00 H ATOM 90 N HIS A 183 35.433 22.267 29.647 1.00 35.61 N ATOM 91 CA HIS A 183 35.487 23.609 29.101 1.00 34.30 C ATOM 92 C HIS A 183 34.703 23.785 27.816 1.00 32.04 C ATOM 93 O HIS A 183 34.710 24.894 27.262 1.00 35.82 O ATOM 94 CB HIS A 183 36.939 24.039 28.871 1.00 34.63 C ATOM 95 CG HIS A 183 37.703 24.233 30.141 1.00 34.11 C ATOM 96 ND1 HIS A 183 38.334 25.416 30.465 1.00 32.89 N ATOM 97 CD2 HIS A 183 37.904 23.397 31.188 1.00 33.14 C ATOM 98 CE1 HIS A 183 38.912 25.291 31.647 1.00 36.65 C ATOM 99 NE2 HIS A 183 38.663 24.075 32.107 1.00 33.95 N ATOM 100 H HIS A 183 35.900 21.487 29.142 1.00 0.00 H ATOM 101 N GLY A 184 34.000 22.755 27.351 1.00 35.88 N ATOM 102 CA GLY A 184 33.363 22.863 26.058 1.00 39.28 C ATOM 103 C GLY A 184 34.385 22.909 24.930 1.00 40.30 C ATOM 104 O GLY A 184 35.541 22.500 25.069 1.00 33.58 O ATOM 105 H GLY A 184 33.910 21.883 27.911 1.00 0.00 H ATOM 106 N LYS A 185 33.936 23.414 23.783 1.00 39.99 N ATOM 107 CA LYS A 185 34.809 23.476 22.616 1.00 37.74 C ATOM 108 C LYS A 185 35.858 24.556 22.826 1.00 39.79 C ATOM 109 O LYS A 185 35.527 25.740 22.984 1.00 38.60 O ATOM 110 CB LYS A 185 33.998 23.736 21.348 1.00 39.59 C ATOM 111 CG LYS A 185 34.840 23.716 20.086 1.00 47.50 C ATOM 112 CD LYS A 185 34.054 23.188 18.905 1.00 52.83 C ATOM 113 CE LYS A 185 32.807 24.013 18.659 1.00 63.01 C ATOM 114 NZ LYS A 185 31.863 23.319 17.737 1.00 70.54 N ATOM 115 HZ1 LYS A 185 32.332 23.152 16.824 1.00 0.00 H ATOM 116 HZ2 LYS A 185 31.579 22.410 18.154 1.00 0.00 H ATOM 117 HZ3 LYS A 185 31.022 23.913 17.592 1.00 0.00 H ATOM 118 H LYS A 185 32.959 23.766 23.719 1.00 0.00 H ATOM 119 N LEU A 186 37.125 24.151 22.831 1.00 34.46 N ATOM 120 CA LEU A 186 38.195 25.064 23.201 1.00 33.21 C ATOM 121 C LEU A 186 39.439 24.715 22.406 1.00 31.95 C ATOM 122 O LEU A 186 39.801 23.542 22.307 1.00 33.10 O ATOM 123 CB LEU A 186 38.469 24.983 24.705 1.00 36.51 C ATOM 124 CG LEU A 186 39.222 26.120 25.365 1.00 44.43 C ATOM 125 CD1 LEU A 186 38.332 27.344 25.513 1.00 43.05 C ATOM 126 CD2 LEU A 186 39.753 25.642 26.708 1.00 40.08 C ATOM 127 H LEU A 186 37.353 23.171 22.568 1.00 0.00 H ATOM 128 N ASP A 187 40.088 25.734 21.845 1.00 36.26 N ATOM 129 CA ASP A 187 41.284 25.474 21.058 1.00 29.97 C ATOM 130 C ASP A 187 42.497 25.256 21.960 1.00 34.35 C ATOM 131 O ASP A 187 42.494 25.588 23.147 1.00 36.91 O ATOM 132 CB ASP A 187 41.554 26.618 20.081 1.00 47.84 C ATOM 133 CG ASP A 187 41.982 27.889 20.776 1.00 71.51 C ATOM 134 OD1 ASP A 187 41.154 28.472 21.500 1.00 83.47 O ATOM 135 OD2 ASP A 187 43.147 28.297 20.608 1.00 79.82 O ATOM 136 H ASP A 187 39.743 26.707 21.968 1.00 0.00 H ATOM 137 N ARG A 188 43.552 24.693 21.369 1.00 31.27 N ATOM 138 CA ARG A 188 44.714 24.304 22.162 1.00 30.70 C ATOM 139 C ARG A 188 45.376 25.510 22.822 1.00 32.77 C ATOM 140 O ARG A 188 45.844 25.422 23.963 1.00 32.81 O ATOM 141 CB ARG A 188 45.716 23.549 21.287 1.00 30.64 C ATOM 142 CG ARG A 188 47.016 23.220 21.995 1.00 36.20 C ATOM 143 CD ARG A 188 47.921 22.326 21.175 1.00 35.27 C ATOM 144 NE ARG A 188 47.332 21.013 20.946 1.00 35.52 N ATOM 145 CZ ARG A 188 48.039 19.907 20.737 1.00 34.09 C ATOM 146 NH1 ARG A 188 49.371 19.954 20.737 1.00 35.95 N ATOM 147 NH2 ARG A 188 47.417 18.761 20.523 1.00 33.53 N ATOM 148 HE ARG A 188 46.295 20.937 20.946 1.00 0.00 H ATOM 149 HH12 ARG A 188 49.922 19.087 20.573 1.00 0.00 H ATOM 150 HH11 ARG A 188 49.859 20.857 20.901 1.00 0.00 H ATOM 151 HH22 ARG A 188 47.967 17.894 20.359 1.00 0.00 H ATOM 152 HH21 ARG A 188 46.378 18.726 20.518 1.00 0.00 H ATOM 153 H ARG A 188 43.547 24.531 20.342 1.00 0.00 H ATOM 154 N THR A 189 45.411 26.646 22.131 1.00 33.13 N ATOM 155 CA THR A 189 46.096 27.817 22.676 1.00 34.80 C ATOM 156 C THR A 189 45.450 28.283 23.974 1.00 35.11 C ATOM 157 O THR A 189 46.141 28.565 24.963 1.00 35.04 O ATOM 158 CB THR A 189 46.104 28.941 21.652 1.00 37.87 C ATOM 159 OG1 THR A 189 46.904 28.545 20.533 1.00 44.39 O ATOM 160 CG2 THR A 189 46.677 30.222 22.257 1.00 41.91 C ATOM 161 HG1 THR A 189 46.914 29.273 19.862 1.00 0.00 H ATOM 162 H THR A 189 44.950 26.701 21.200 1.00 0.00 H ATOM 163 N ILE A 190 44.122 28.371 23.998 1.00 35.94 N ATOM 164 CA ILE A 190 43.461 28.829 25.212 1.00 32.41 C ATOM 165 C ILE A 190 43.529 27.748 26.282 1.00 28.60 C ATOM 166 O ILE A 190 43.680 28.051 27.474 1.00 32.66 O ATOM 167 CB ILE A 190 42.014 29.255 24.912 1.00 34.19 C ATOM 168 CG1 ILE A 190 42.006 30.437 23.945 1.00 33.56 C ATOM 169 CG2 ILE A 190 41.283 29.628 26.196 1.00 37.87 C ATOM 170 CD1 ILE A 190 40.628 31.012 23.692 1.00 35.40 C ATOM 171 H ILE A 190 43.563 28.116 23.159 1.00 0.00 H ATOM 172 N ALA A 191 43.452 26.480 25.875 1.00 26.93 N ATOM 173 CA ALA A 191 43.566 25.399 26.844 1.00 28.41 C ATOM 174 C ALA A 191 44.894 25.490 27.593 1.00 30.03 C ATOM 175 O ALA A 191 44.927 25.417 28.829 1.00 30.12 O ATOM 176 CB ALA A 191 43.418 24.042 26.152 1.00 33.76 C ATOM 177 H ALA A 191 43.311 26.264 24.868 1.00 0.00 H ATOM 178 N GLU A 192 45.996 25.670 26.859 1.00 29.88 N ATOM 179 CA GLU A 192 47.298 25.781 27.508 1.00 27.76 C ATOM 180 C GLU A 192 47.375 27.025 28.378 1.00 31.66 C ATOM 181 O GLU A 192 47.944 26.985 29.473 1.00 33.90 O ATOM 182 CB GLU A 192 48.410 25.768 26.467 1.00 32.22 C ATOM 183 CG GLU A 192 48.441 24.459 25.676 1.00 32.16 C ATOM 184 CD GLU A 192 49.803 24.186 25.032 1.00 44.25 C ATOM 185 OE1 GLU A 192 50.732 25.001 25.215 1.00 44.20 O ATOM 186 OE2 GLU A 192 49.951 23.151 24.346 1.00 42.03 O ATOM 187 H GLU A 192 45.925 25.731 25.823 1.00 0.00 H ATOM 188 N GLU A 193 46.798 28.140 27.920 1.00 29.75 N ATOM 189 CA GLU A 193 46.794 29.331 28.758 1.00 30.28 C ATOM 190 C GLU A 193 46.059 29.069 30.068 1.00 29.25 C ATOM 191 O GLU A 193 46.525 29.479 31.140 1.00 32.38 O ATOM 192 CB GLU A 193 46.167 30.517 28.016 1.00 33.78 C ATOM 193 CG GLU A 193 46.100 31.822 28.820 1.00 41.93 C ATOM 194 CD GLU A 193 47.466 32.444 29.083 1.00 42.87 C ATOM 195 OE1 GLU A 193 48.369 32.322 28.224 1.00 47.53 O ATOM 196 OE2 GLU A 193 47.643 33.052 30.161 1.00 52.33 O ATOM 197 H GLU A 193 46.358 28.157 26.978 1.00 0.00 H ATOM 198 N ARG A 194 44.901 28.408 30.004 1.00 33.19 N ATOM 199 CA ARG A 194 44.162 28.118 31.230 1.00 36.08 C ATOM 200 C ARG A 194 44.968 27.230 32.166 1.00 30.07 C ATOM 201 O ARG A 194 44.990 27.461 33.380 1.00 35.86 O ATOM 202 CB ARG A 194 42.811 27.486 30.903 1.00 30.58 C ATOM 203 CG ARG A 194 41.894 28.515 30.308 1.00 34.84 C ATOM 204 CD ARG A 194 40.478 28.020 30.030 1.00 30.96 C ATOM 205 NE ARG A 194 39.765 29.134 29.425 1.00 32.18 N ATOM 206 CZ ARG A 194 38.510 29.081 28.997 1.00 34.98 C ATOM 207 NH1 ARG A 194 37.831 27.938 29.101 1.00 36.38 N ATOM 208 NH2 ARG A 194 37.964 30.160 28.453 1.00 37.78 N ATOM 209 HE ARG A 194 40.274 30.035 29.321 1.00 0.00 H ATOM 210 HH12 ARG A 194 36.847 27.886 28.769 1.00 0.00 H ATOM 211 HH11 ARG A 194 38.286 27.099 29.514 1.00 0.00 H ATOM 212 HH22 ARG A 194 36.981 30.131 28.114 1.00 0.00 H ATOM 213 HH21 ARG A 194 38.518 31.035 28.365 1.00 0.00 H ATOM 214 H ARG A 194 44.526 28.100 29.084 1.00 0.00 H ATOM 215 N LEU A 195 45.695 26.253 31.620 1.00 29.30 N ATOM 216 CA LEU A 195 46.507 25.423 32.509 1.00 30.24 C ATOM 217 C LEU A 195 47.700 26.187 33.070 1.00 33.52 C ATOM 218 O LEU A 195 48.086 25.972 34.225 1.00 38.12 O ATOM 219 CB LEU A 195 46.963 24.159 31.787 1.00 28.98 C ATOM 220 CG LEU A 195 45.788 23.264 31.437 1.00 28.53 C ATOM 221 CD1 LEU A 195 46.280 22.119 30.567 1.00 28.84 C ATOM 222 CD2 LEU A 195 45.108 22.720 32.701 1.00 35.60 C ATOM 223 H LEU A 195 45.684 26.087 30.593 1.00 0.00 H ATOM 224 N ARG A 196 48.294 27.100 32.299 1.00 34.66 N ATOM 225 CA ARG A 196 49.446 27.799 32.840 1.00 33.89 C ATOM 226 C ARG A 196 49.035 28.894 33.818 1.00 33.58 C ATOM 227 O ARG A 196 49.830 29.274 34.681 1.00 42.58 O ATOM 228 CB ARG A 196 50.301 28.371 31.709 1.00 39.01 C ATOM 229 CG ARG A 196 50.910 27.257 30.877 1.00 40.95 C ATOM 230 CD ARG A 196 52.088 27.722 30.065 1.00 46.08 C ATOM 231 NE ARG A 196 52.920 26.582 29.693 1.00 54.23 N ATOM 232 CZ ARG A 196 52.771 25.886 28.571 1.00 61.03 C ATOM 233 NH1 ARG A 196 51.828 26.225 27.701 1.00 47.25 N ATOM 234 NH2 ARG A 196 53.571 24.858 28.316 1.00 63.35 N ATOM 235 HE ARG A 196 53.677 26.297 30.347 1.00 0.00 H ATOM 236 HH12 ARG A 196 51.711 25.681 26.823 1.00 0.00 H ATOM 237 HH11 ARG A 196 51.206 27.035 27.898 1.00 0.00 H ATOM 238 HH22 ARG A 196 53.454 24.313 27.438 1.00 0.00 H ATOM 239 HH21 ARG A 196 54.315 24.597 28.994 1.00 0.00 H ATOM 240 H ARG A 196 47.943 27.304 31.342 1.00 0.00 H ATOM 241 N GLN A 197 47.797 29.392 33.712 1.00 37.88 N ATOM 242 CA GLN A 197 47.259 30.249 34.766 1.00 41.16 C ATOM 243 C GLN A 197 47.125 29.480 36.073 1.00 42.64 C ATOM 244 O GLN A 197 47.401 30.019 37.152 1.00 42.83 O ATOM 245 CB GLN A 197 45.904 30.821 34.346 1.00 43.73 C ATOM 246 CG GLN A 197 45.979 31.834 33.223 1.00 44.19 C ATOM 247 CD GLN A 197 46.520 33.169 33.683 1.00 43.13 C ATOM 248 OE1 GLN A 197 46.156 33.664 34.750 1.00 52.66 O ATOM 249 NE2 GLN A 197 47.408 33.754 32.887 1.00 49.92 N ATOM 250 HE22 GLN A 197 47.686 33.298 31.994 1.00 0.00 H ATOM 251 HE21 GLN A 197 47.826 34.668 33.156 1.00 0.00 H ATOM 252 H GLN A 197 47.217 29.169 32.878 1.00 0.00 H ATOM 253 N ALA A 198 46.679 28.222 35.996 1.00 45.18 N ATOM 254 CA ALA A 198 46.705 27.359 37.172 1.00 45.77 C ATOM 255 C ALA A 198 48.130 27.200 37.686 1.00 42.89 C ATOM 256 O ALA A 198 48.399 27.387 38.877 1.00 48.12 O ATOM 257 CB ALA A 198 46.096 25.997 36.839 1.00 39.97 C ATOM 258 H ALA A 198 46.312 27.857 35.094 1.00 0.00 H ATOM 259 N GLY A 199 49.052 26.832 36.798 1.00 42.34 N ATOM 260 CA GLY A 199 50.470 26.888 37.077 1.00 39.30 C ATOM 261 C GLY A 199 51.031 25.747 37.894 1.00 50.62 C ATOM 262 O GLY A 199 52.240 25.739 38.159 1.00 59.48 O ATOM 263 H GLY A 199 48.740 26.491 35.867 1.00 0.00 H ATOM 264 N LYS A 200 50.205 24.793 38.305 1.00 45.86 N ATOM 265 CA LYS A 200 50.645 23.662 39.113 1.00 42.51 C ATOM 266 C LYS A 200 50.740 22.407 38.256 1.00 35.43 C ATOM 267 O LYS A 200 49.793 22.063 37.539 1.00 32.21 O ATOM 268 CB LYS A 200 49.689 23.418 40.283 1.00 39.68 C ATOM 269 CG LYS A 200 49.486 24.621 41.177 1.00 55.10 C ATOM 270 CD LYS A 200 48.990 24.204 42.549 1.00 61.44 C ATOM 271 CE LYS A 200 50.127 23.667 43.410 1.00 69.72 C ATOM 272 NZ LYS A 200 50.198 24.353 44.731 1.00 79.00 N ATOM 273 HZ1 LYS A 200 50.354 25.371 44.584 1.00 0.00 H ATOM 274 HZ2 LYS A 200 49.305 24.208 45.244 1.00 0.00 H ATOM 275 HZ3 LYS A 200 50.985 23.957 45.284 1.00 0.00 H ATOM 276 H LYS A 200 49.201 24.855 38.039 1.00 0.00 H ATOM 277 N SER A 201 51.888 21.733 38.331 1.00 42.87 N ATOM 278 CA SER A 201 52.013 20.412 37.730 1.00 40.04 C ATOM 279 C SER A 201 50.898 19.505 38.225 1.00 35.86 C ATOM 280 O SER A 201 50.580 19.483 39.418 1.00 43.40 O ATOM 281 CB SER A 201 53.366 19.792 38.078 1.00 45.93 C ATOM 282 OG SER A 201 54.430 20.548 37.531 1.00 59.53 O ATOM 283 HG SER A 201 54.339 20.578 36.546 1.00 0.00 H ATOM 284 H SER A 201 52.702 22.154 38.823 1.00 0.00 H ATOM 285 N GLY A 202 50.329 18.733 37.302 1.00 33.28 N ATOM 286 CA GLY A 202 49.190 17.901 37.613 1.00 30.20 C ATOM 287 C GLY A 202 47.854 18.535 37.321 1.00 30.67 C ATOM 288 O GLY A 202 46.831 17.855 37.453 1.00 30.48 O ATOM 289 H GLY A 202 50.713 18.729 36.336 1.00 0.00 H ATOM 290 N SER A 203 47.828 19.812 36.929 1.00 29.91 N ATOM 291 CA SER A 203 46.586 20.456 36.517 1.00 29.63 C ATOM 292 C SER A 203 46.070 19.875 35.208 1.00 28.39 C ATOM 293 O SER A 203 46.845 19.567 34.295 1.00 30.13 O ATOM 294 CB SER A 203 46.809 21.953 36.354 1.00 27.01 C ATOM 295 OG SER A 203 47.131 22.546 37.598 1.00 33.66 O ATOM 296 HG SER A 203 47.958 22.135 37.954 1.00 0.00 H ATOM 297 H SER A 203 48.713 20.359 36.917 1.00 0.00 H ATOM 298 N TYR A 204 44.749 19.740 35.102 1.00 26.23 N ATOM 299 CA TYR A 204 44.187 19.194 33.874 1.00 24.72 C ATOM 300 C TYR A 204 42.825 19.801 33.572 1.00 24.61 C ATOM 301 O TYR A 204 42.154 20.360 34.440 1.00 27.63 O ATOM 302 CB TYR A 204 44.041 17.661 33.955 1.00 29.26 C ATOM 303 CG TYR A 204 43.021 17.206 34.974 1.00 27.73 C ATOM 304 CD1 TYR A 204 43.386 17.001 36.293 1.00 26.74 C ATOM 305 CD2 TYR A 204 41.683 16.995 34.618 1.00 25.74 C ATOM 306 CE1 TYR A 204 42.461 16.583 37.240 1.00 28.07 C ATOM 307 CE2 TYR A 204 40.733 16.572 35.579 1.00 28.16 C ATOM 308 CZ TYR A 204 41.142 16.379 36.880 1.00 28.89 C ATOM 309 OH TYR A 204 40.251 15.965 37.843 1.00 35.37 O ATOM 310 HH TYR A 204 40.720 15.881 38.711 1.00 0.00 H ATOM 311 H TYR A 204 44.127 20.021 35.886 1.00 0.00 H ATOM 312 N LEU A 205 42.410 19.645 32.320 1.00 25.15 N ATOM 313 CA LEU A 205 41.048 19.971 31.922 1.00 28.59 C ATOM 314 C LEU A 205 40.664 19.032 30.796 1.00 26.04 C ATOM 315 O LEU A 205 41.523 18.400 30.182 1.00 27.62 O ATOM 316 CB LEU A 205 40.921 21.434 31.480 1.00 27.49 C ATOM 317 CG LEU A 205 41.828 21.941 30.349 1.00 27.75 C ATOM 318 CD1 LEU A 205 41.253 21.640 28.962 1.00 27.63 C ATOM 319 CD2 LEU A 205 42.054 23.447 30.501 1.00 30.78 C ATOM 320 H LEU A 205 43.074 19.281 31.607 1.00 0.00 H ATOM 321 N ILE A 206 39.369 18.964 30.511 1.00 28.27 N ATOM 322 CA ILE A 206 38.865 18.266 29.333 1.00 26.76 C ATOM 323 C ILE A 206 38.103 19.267 28.484 1.00 26.90 C ATOM 324 O ILE A 206 37.413 20.135 29.019 1.00 29.12 O ATOM 325 CB ILE A 206 37.997 17.052 29.717 1.00 32.51 C ATOM 326 CG1 ILE A 206 38.886 16.017 30.399 1.00 30.48 C ATOM 327 CG2 ILE A 206 37.338 16.448 28.485 1.00 32.25 C ATOM 328 CD1 ILE A 206 38.207 14.707 30.646 1.00 31.18 C ATOM 329 H ILE A 206 38.690 19.425 31.150 1.00 0.00 H ATOM 330 N ARG A 207 38.282 19.184 27.167 1.00 28.15 N ATOM 331 CA ARG A 207 37.677 20.120 26.231 1.00 27.46 C ATOM 332 C ARG A 207 37.206 19.345 25.013 1.00 27.23 C ATOM 333 O ARG A 207 37.671 18.238 24.749 1.00 28.86 O ATOM 334 CB ARG A 207 38.657 21.207 25.784 1.00 26.79 C ATOM 335 CG ARG A 207 39.982 20.664 25.237 1.00 27.47 C ATOM 336 CD ARG A 207 40.950 21.799 24.958 1.00 29.50 C ATOM 337 NE ARG A 207 42.261 21.281 24.597 1.00 27.28 N ATOM 338 CZ ARG A 207 42.663 21.063 23.341 1.00 29.86 C ATOM 339 NH1 ARG A 207 41.861 21.361 22.323 1.00 28.60 N ATOM 340 NH2 ARG A 207 43.864 20.566 23.095 1.00 28.68 N ATOM 341 HE ARG A 207 42.928 21.067 25.366 1.00 0.00 H ATOM 342 HH12 ARG A 207 42.175 21.191 21.346 1.00 0.00 H ATOM 343 HH11 ARG A 207 40.920 21.764 22.503 1.00 0.00 H ATOM 344 HH22 ARG A 207 44.167 20.400 22.114 1.00 0.00 H ATOM 345 HH21 ARG A 207 44.505 20.341 23.882 1.00 0.00 H ATOM 346 H ARG A 207 38.879 18.419 26.792 1.00 0.00 H ATOM 347 N GLU A 208 36.230 19.901 24.305 1.00 30.06 N ATOM 348 CA GLU A 208 35.923 19.433 22.958 1.00 32.28 C ATOM 349 C GLU A 208 36.927 20.071 21.995 1.00 30.68 C ATOM 350 O GLU A 208 37.187 21.278 22.073 1.00 32.27 O ATOM 351 CB GLU A 208 34.490 19.802 22.564 1.00 35.52 C ATOM 352 CG GLU A 208 34.047 19.168 21.251 1.00 39.73 C ATOM 353 CD GLU A 208 32.674 19.638 20.800 1.00 41.96 C ATOM 354 OE1 GLU A 208 32.056 20.455 21.519 1.00 42.95 O ATOM 355 OE2 GLU A 208 32.226 19.209 19.712 1.00 51.69 O ATOM 356 H GLU A 208 35.677 20.680 24.716 1.00 0.00 H ATOM 357 N SER A 209 37.487 19.278 21.085 1.00 29.40 N ATOM 358 CA SER A 209 38.432 19.842 20.129 1.00 31.22 C ATOM 359 C SER A 209 37.733 20.756 19.132 1.00 33.03 C ATOM 360 O SER A 209 36.711 20.395 18.539 1.00 36.60 O ATOM 361 CB SER A 209 39.172 18.742 19.373 1.00 31.81 C ATOM 362 OG SER A 209 39.982 19.352 18.379 1.00 36.00 O ATOM 363 HG SER A 209 40.630 19.962 18.812 1.00 0.00 H ATOM 364 H SER A 209 37.253 18.265 21.056 1.00 0.00 H ATOM 365 N ASP A 210 38.305 21.945 18.950 1.00 35.11 N ATOM 366 CA ASP A 210 37.839 22.876 17.934 1.00 38.95 C ATOM 367 C ASP A 210 38.196 22.394 16.533 1.00 41.03 C ATOM 368 O ASP A 210 37.511 22.741 15.564 1.00 43.96 O ATOM 369 CB ASP A 210 38.452 24.249 18.210 1.00 44.57 C ATOM 370 CG ASP A 210 37.812 25.357 17.404 1.00 47.92 C ATOM 371 OD1 ASP A 210 36.682 25.762 17.741 1.00 52.38 O ATOM 372 OD2 ASP A 210 38.451 25.838 16.444 1.00 55.83 O ATOM 373 H ASP A 210 39.109 22.216 19.552 1.00 0.00 H ATOM 374 N ARG A 211 39.256 21.595 16.404 1.00 39.21 N ATOM 375 CA ARG A 211 39.698 21.121 15.100 1.00 41.43 C ATOM 376 C ARG A 211 39.033 19.812 14.683 1.00 44.25 C ATOM 377 O ARG A 211 38.835 19.593 13.485 1.00 46.77 O ATOM 378 CB ARG A 211 41.223 20.972 15.089 1.00 42.65 C ATOM 379 CG ARG A 211 41.975 22.271 15.362 1.00 49.12 C ATOM 380 CD ARG A 211 42.454 22.935 14.086 1.00 63.07 C ATOM 381 NE ARG A 211 43.848 22.600 13.798 1.00 76.90 N ATOM 382 CZ ARG A 211 44.894 23.227 14.329 1.00 86.66 C ATOM 383 NH1 ARG A 211 46.128 22.853 14.012 1.00 91.00 N ATOM 384 NH2 ARG A 211 44.710 24.227 15.182 1.00 92.35 N ATOM 385 HE ARG A 211 44.034 21.821 13.135 1.00 0.00 H ATOM 386 HH12 ARG A 211 46.944 23.345 14.429 1.00 0.00 H ATOM 387 HH11 ARG A 211 46.279 22.068 13.347 1.00 0.00 H ATOM 388 HH22 ARG A 211 45.530 24.715 15.596 1.00 0.00 H ATOM 389 HH21 ARG A 211 43.746 24.522 15.437 1.00 0.00 H ATOM 390 H ARG A 211 39.779 21.304 17.254 1.00 0.00 H ATOM 391 N ARG A 212 38.686 18.934 15.631 1.00 37.35 N ATOM 392 CA ARG A 212 37.954 17.694 15.353 1.00 36.64 C ATOM 393 C ARG A 212 36.689 17.695 16.205 1.00 34.44 C ATOM 394 O ARG A 212 36.617 17.009 17.236 1.00 32.92 O ATOM 395 CB ARG A 212 38.784 16.443 15.638 1.00 36.47 C ATOM 396 CG ARG A 212 38.109 15.172 15.141 1.00 41.77 C ATOM 397 CD ARG A 212 38.880 13.933 15.512 1.00 49.79 C ATOM 398 NE ARG A 212 40.107 13.823 14.730 1.00 47.73 N ATOM 399 CZ ARG A 212 40.931 12.784 14.786 1.00 59.50 C ATOM 400 NH1 ARG A 212 40.657 11.764 15.591 1.00 58.18 N ATOM 401 NH2 ARG A 212 42.028 12.767 14.042 1.00 63.71 N ATOM 402 HE ARG A 212 40.351 14.606 14.090 1.00 0.00 H ATOM 403 HH12 ARG A 212 41.302 10.949 15.636 1.00 0.00 H ATOM 404 HH11 ARG A 212 39.798 11.780 16.177 1.00 0.00 H ATOM 405 HH22 ARG A 212 42.674 11.953 14.086 1.00 0.00 H ATOM 406 HH21 ARG A 212 42.243 13.568 13.414 1.00 0.00 H ATOM 407 H ARG A 212 38.949 19.142 16.616 1.00 0.00 H ATOM 408 N PRO A 213 35.678 18.458 15.808 1.00 35.28 N ATOM 409 CA PRO A 213 34.500 18.623 16.664 1.00 33.85 C ATOM 410 C PRO A 213 33.803 17.300 16.947 1.00 32.56 C ATOM 411 O PRO A 213 33.743 16.402 16.103 1.00 33.53 O ATOM 412 CB PRO A 213 33.607 19.569 15.851 1.00 38.85 C ATOM 413 CG PRO A 213 34.547 20.300 14.962 1.00 49.95 C ATOM 414 CD PRO A 213 35.620 19.313 14.609 1.00 38.32 C ATOM 415 N GLY A 214 33.282 17.185 18.164 1.00 30.90 N ATOM 416 CA GLY A 214 32.622 15.978 18.608 1.00 31.75 C ATOM 417 C GLY A 214 33.540 14.977 19.262 1.00 30.55 C ATOM 418 O GLY A 214 33.062 13.935 19.750 1.00 31.73 O ATOM 419 H GLY A 214 33.351 17.990 18.819 1.00 0.00 H ATOM 420 N SER A 215 34.845 15.240 19.255 1.00 30.49 N ATOM 421 CA SER A 215 35.833 14.443 19.959 1.00 29.39 C ATOM 422 C SER A 215 36.472 15.333 21.010 1.00 28.39 C ATOM 423 O SER A 215 36.356 16.563 20.961 1.00 28.69 O ATOM 424 CB SER A 215 36.880 13.865 19.001 1.00 33.55 C ATOM 425 OG SER A 215 37.753 14.870 18.544 1.00 35.33 O ATOM 426 HG SER A 215 37.234 15.565 18.067 1.00 0.00 H ATOM 427 H SER A 215 35.176 16.064 18.714 1.00 0.00 H ATOM 428 N PHE A 216 37.091 14.708 21.995 1.00 24.84 N ATOM 429 CA PHE A 216 37.494 15.429 23.189 1.00 26.14 C ATOM 430 C PHE A 216 38.993 15.326 23.403 1.00 26.60 C ATOM 431 O PHE A 216 39.693 14.583 22.718 1.00 26.84 O ATOM 432 CB PHE A 216 36.702 14.917 24.389 1.00 29.67 C ATOM 433 CG PHE A 216 35.220 15.020 24.170 1.00 29.87 C ATOM 434 CD1 PHE A 216 34.567 16.236 24.377 1.00 30.49 C ATOM 435 CD2 PHE A 216 34.480 13.943 23.678 1.00 32.19 C ATOM 436 CE1 PHE A 216 33.205 16.360 24.148 1.00 36.14 C ATOM 437 CE2 PHE A 216 33.105 14.064 23.450 1.00 38.18 C ATOM 438 CZ PHE A 216 32.473 15.273 23.683 1.00 38.35 C ATOM 439 H PHE A 216 37.292 13.691 21.915 1.00 0.00 H ATOM 440 N VAL A 217 39.495 16.133 24.331 1.00 25.58 N ATOM 441 CA VAL A 217 40.928 16.180 24.607 1.00 27.22 C ATOM 442 C VAL A 217 41.131 16.349 26.100 1.00 25.51 C ATOM 443 O VAL A 217 40.518 17.230 26.714 1.00 24.88 O ATOM 444 CB VAL A 217 41.627 17.327 23.863 1.00 24.06 C ATOM 445 CG1 VAL A 217 43.139 17.234 24.076 1.00 24.32 C ATOM 446 CG2 VAL A 217 41.296 17.291 22.366 1.00 25.99 C ATOM 447 H VAL A 217 38.853 16.745 24.873 1.00 0.00 H ATOM 448 N LEU A 218 41.996 15.509 26.667 1.00 24.97 N ATOM 449 CA LEU A 218 42.515 15.672 28.017 1.00 20.90 C ATOM 450 C LEU A 218 43.814 16.455 27.909 1.00 24.32 C ATOM 451 O LEU A 218 44.754 15.994 27.269 1.00 26.78 O ATOM 452 CB LEU A 218 42.756 14.308 28.661 1.00 24.69 C ATOM 453 CG LEU A 218 43.383 14.268 30.052 1.00 27.07 C ATOM 454 CD1 LEU A 218 42.570 15.075 31.055 1.00 24.51 C ATOM 455 CD2 LEU A 218 43.567 12.822 30.522 1.00 28.84 C ATOM 456 H LEU A 218 42.319 14.690 26.113 1.00 0.00 H ATOM 457 N SER A 219 43.827 17.654 28.474 1.00 24.08 N ATOM 458 CA SER A 219 45.000 18.522 28.465 1.00 25.75 C ATOM 459 C SER A 219 45.586 18.558 29.868 1.00 24.73 C ATOM 460 O SER A 219 44.873 18.807 30.841 1.00 26.46 O ATOM 461 CB SER A 219 44.640 19.928 27.987 1.00 27.47 C ATOM 462 OG SER A 219 44.252 19.899 26.622 1.00 27.92 O ATOM 463 HG SER A 219 45.001 19.552 26.075 1.00 0.00 H ATOM 464 H SER A 219 42.963 17.991 28.945 1.00 0.00 H ATOM 465 N PHE A 220 46.894 18.352 29.959 1.00 25.49 N ATOM 466 CA PHE A 220 47.542 18.035 31.223 1.00 25.04 C ATOM 467 C PHE A 220 48.872 18.753 31.307 1.00 28.37 C ATOM 468 O PHE A 220 49.688 18.650 30.392 1.00 28.35 O ATOM 469 CB PHE A 220 47.746 16.517 31.331 1.00 27.96 C ATOM 470 CG PHE A 220 48.557 16.078 32.516 1.00 26.92 C ATOM 471 CD1 PHE A 220 48.011 16.058 33.786 1.00 26.90 C ATOM 472 CD2 PHE A 220 49.874 15.675 32.352 1.00 33.80 C ATOM 473 CE1 PHE A 220 48.741 15.654 34.864 1.00 29.86 C ATOM 474 CE2 PHE A 220 50.629 15.267 33.444 1.00 41.14 C ATOM 475 CZ PHE A 220 50.061 15.255 34.700 1.00 38.91 C ATOM 476 H PHE A 220 47.475 18.419 29.099 1.00 0.00 H ATOM 477 N LEU A 221 49.087 19.472 32.399 1.00 27.55 N ATOM 478 CA LEU A 221 50.330 20.198 32.612 1.00 25.95 C ATOM 479 C LEU A 221 51.317 19.302 33.338 1.00 30.73 C ATOM 480 O LEU A 221 51.087 18.923 34.491 1.00 31.94 O ATOM 481 CB LEU A 221 50.065 21.472 33.403 1.00 32.32 C ATOM 482 CG LEU A 221 51.261 22.369 33.714 1.00 34.49 C ATOM 483 CD1 LEU A 221 51.900 22.829 32.416 1.00 36.33 C ATOM 484 CD2 LEU A 221 50.777 23.539 34.535 1.00 33.02 C ATOM 485 H LEU A 221 48.345 19.519 33.126 1.00 0.00 H ATOM 486 N SER A 222 52.429 18.986 32.676 1.00 30.22 N ATOM 487 CA SER A 222 53.361 18.019 33.230 1.00 33.87 C ATOM 488 C SER A 222 54.320 18.684 34.213 1.00 36.37 C ATOM 489 O SER A 222 54.393 19.909 34.325 1.00 38.83 O ATOM 490 CB SER A 222 54.150 17.331 32.114 1.00 40.70 C ATOM 491 OG SER A 222 55.292 18.094 31.763 1.00 42.54 O ATOM 492 HG SER A 222 55.787 17.632 31.041 1.00 0.00 H ATOM 493 H SER A 222 52.631 19.433 31.759 1.00 0.00 H ATOM 494 N GLN A 223 55.061 17.834 34.935 1.00 38.11 N ATOM 495 CA GLN A 223 56.101 18.299 35.845 1.00 47.12 C ATOM 496 C GLN A 223 57.160 19.130 35.145 1.00 47.78 C ATOM 497 O GLN A 223 57.911 19.846 35.819 1.00 52.79 O ATOM 498 CB GLN A 223 56.762 17.107 36.534 1.00 49.95 C ATOM 499 CG GLN A 223 56.124 16.751 37.856 1.00 71.75 C ATOM 500 CD GLN A 223 56.463 15.350 38.310 1.00 84.85 C ATOM 501 OE1 GLN A 223 57.378 14.718 37.784 1.00 93.25 O ATOM 502 NE2 GLN A 223 55.717 14.851 39.288 1.00 87.69 N ATOM 503 HE22 GLN A 223 54.954 15.422 39.703 1.00 0.00 H ATOM 504 HE21 GLN A 223 55.896 13.889 39.639 1.00 0.00 H ATOM 505 H GLN A 223 54.890 16.812 34.844 1.00 0.00 H ATOM 506 N MET A 224 57.254 19.047 33.819 1.00 48.92 N ATOM 507 CA MET A 224 58.261 19.788 33.077 1.00 50.05 C ATOM 508 C MET A 224 57.701 21.047 32.429 1.00 46.66 C ATOM 509 O MET A 224 58.339 21.605 31.530 1.00 44.85 O ATOM 510 CB MET A 224 58.911 18.894 32.022 1.00 59.14 C ATOM 511 CG MET A 224 59.665 17.710 32.593 1.00 64.71 C ATOM 512 SD MET A 224 60.882 18.185 33.833 1.00 86.13 S ATOM 513 CE MET A 224 61.808 19.452 32.967 1.00 90.29 C ATOM 514 H MET A 224 56.590 18.437 33.301 1.00 0.00 H ATOM 515 N ASN A 225 56.534 21.513 32.882 1.00 42.51 N ATOM 516 CA ASN A 225 55.898 22.716 32.339 1.00 45.78 C ATOM 517 C ASN A 225 55.626 22.558 30.844 1.00 41.11 C ATOM 518 O ASN A 225 55.806 23.490 30.052 1.00 40.47 O ATOM 519 CB ASN A 225 56.739 23.963 32.622 1.00 51.58 C ATOM 520 CG ASN A 225 55.971 25.244 32.385 1.00 59.52 C ATOM 521 OD1 ASN A 225 54.741 25.235 32.290 1.00 54.45 O ATOM 522 ND2 ASN A 225 56.690 26.353 32.274 1.00 61.66 N ATOM 523 HD22 ASN A 225 57.726 26.312 32.361 1.00 0.00 H ATOM 524 HD21 ASN A 225 56.218 27.263 32.100 1.00 0.00 H ATOM 525 H ASN A 225 56.057 21.001 33.652 1.00 0.00 H ATOM 526 N VAL A 226 55.233 21.348 30.456 1.00 33.90 N ATOM 527 CA VAL A 226 54.806 21.022 29.101 1.00 31.01 C ATOM 528 C VAL A 226 53.365 20.548 29.171 1.00 29.19 C ATOM 529 O VAL A 226 53.058 19.610 29.913 1.00 31.89 O ATOM 530 CB VAL A 226 55.686 19.926 28.475 1.00 34.21 C ATOM 531 CG1 VAL A 226 55.084 19.481 27.160 1.00 30.47 C ATOM 532 CG2 VAL A 226 57.128 20.390 28.311 1.00 36.01 C ATOM 533 H VAL A 226 55.230 20.586 31.164 1.00 0.00 H ATOM 534 N VAL A 227 52.485 21.176 28.400 1.00 30.28 N ATOM 535 CA VAL A 227 51.115 20.693 28.316 1.00 26.76 C ATOM 536 C VAL A 227 51.058 19.541 27.322 1.00 28.33 C ATOM 537 O VAL A 227 51.457 19.685 26.160 1.00 28.52 O ATOM 538 CB VAL A 227 50.139 21.806 27.925 1.00 26.81 C ATOM 539 CG1 VAL A 227 48.737 21.204 27.839 1.00 31.89 C ATOM 540 CG2 VAL A 227 50.206 22.948 28.929 1.00 29.68 C ATOM 541 H VAL A 227 52.775 22.013 27.856 1.00 0.00 H ATOM 542 N ASN A 228 50.583 18.391 27.797 1.00 28.18 N ATOM 543 CA ASN A 228 50.343 17.193 26.999 1.00 23.76 C ATOM 544 C ASN A 228 48.865 17.104 26.660 1.00 28.78 C ATOM 545 O ASN A 228 48.011 17.383 27.501 1.00 31.88 O ATOM 546 CB ASN A 228 50.757 15.948 27.772 1.00 25.58 C ATOM 547 CG ASN A 228 52.264 15.817 27.893 1.00 25.99 C ATOM 548 OD1 ASN A 228 52.947 16.655 28.513 1.00 32.58 O ATOM 549 ND2 ASN A 228 52.801 14.750 27.326 1.00 28.05 N ATOM 550 HD22 ASN A 228 52.198 14.073 26.817 1.00 0.00 H ATOM 551 HD21 ASN A 228 53.826 14.588 27.389 1.00 0.00 H ATOM 552 H ASN A 228 50.367 18.343 28.813 1.00 0.00 H ATOM 553 N HIS A 229 48.562 16.704 25.432 1.00 24.19 N ATOM 554 CA HIS A 229 47.172 16.643 24.980 1.00 22.25 C ATOM 555 C HIS A 229 46.885 15.238 24.504 1.00 24.11 C ATOM 556 O HIS A 229 47.588 14.739 23.626 1.00 27.47 O ATOM 557 CB HIS A 229 46.933 17.640 23.848 1.00 22.85 C ATOM 558 CG HIS A 229 47.251 19.055 24.215 1.00 27.02 C ATOM 559 ND1 HIS A 229 46.335 19.894 24.812 1.00 27.76 N ATOM 560 CD2 HIS A 229 48.381 19.780 24.055 1.00 25.71 C ATOM 561 CE1 HIS A 229 46.891 21.081 25.002 1.00 27.19 C ATOM 562 NE2 HIS A 229 48.135 21.034 24.565 1.00 29.77 N ATOM 563 H HIS A 229 49.325 16.429 24.780 1.00 0.00 H ATOM 564 N PHE A 230 45.842 14.614 25.058 1.00 25.03 N ATOM 565 CA PHE A 230 45.480 13.241 24.719 1.00 24.80 C ATOM 566 C PHE A 230 44.067 13.213 24.155 1.00 23.14 C ATOM 567 O PHE A 230 43.131 13.694 24.802 1.00 26.71 O ATOM 568 CB PHE A 230 45.527 12.330 25.943 1.00 27.53 C ATOM 569 CG PHE A 230 46.806 12.407 26.713 1.00 25.63 C ATOM 570 CD1 PHE A 230 46.985 13.380 27.683 1.00 28.43 C ATOM 571 CD2 PHE A 230 47.814 11.490 26.486 1.00 27.36 C ATOM 572 CE1 PHE A 230 48.176 13.435 28.397 1.00 28.37 C ATOM 573 CE2 PHE A 230 49.000 11.537 27.197 1.00 31.34 C ATOM 574 CZ PHE A 230 49.178 12.524 28.149 1.00 28.57 C ATOM 575 H PHE A 230 45.266 15.125 25.757 1.00 0.00 H ATOM 576 N ARG A 231 43.899 12.640 22.962 1.00 25.79 N ATOM 577 CA ARG A 231 42.560 12.534 22.401 1.00 28.32 C ATOM 578 C ARG A 231 41.717 11.552 23.200 1.00 25.20 C ATOM 579 O ARG A 231 42.182 10.485 23.605 1.00 28.85 O ATOM 580 CB ARG A 231 42.599 12.064 20.944 1.00 26.46 C ATOM 581 CG ARG A 231 43.130 13.055 19.954 1.00 31.61 C ATOM 582 CD ARG A 231 42.813 12.591 18.536 1.00 29.84 C ATOM 583 NE ARG A 231 43.465 13.390 17.503 1.00 32.46 N ATOM 584 CZ ARG A 231 43.062 14.601 17.134 1.00 47.56 C ATOM 585 NH1 ARG A 231 42.019 15.166 17.733 1.00 39.72 N ATOM 586 NH2 ARG A 231 43.705 15.247 16.170 1.00 46.56 N ATOM 587 HE ARG A 231 44.297 12.986 17.026 1.00 0.00 H ATOM 588 HH12 ARG A 231 41.704 16.114 17.444 1.00 0.00 H ATOM 589 HH11 ARG A 231 41.518 14.660 18.491 1.00 0.00 H ATOM 590 HH22 ARG A 231 43.391 16.195 15.880 1.00 0.00 H ATOM 591 HH21 ARG A 231 44.523 14.805 15.704 1.00 0.00 H ATOM 592 H ARG A 231 44.718 12.272 22.437 1.00 0.00 H ATOM 593 N ILE A 232 40.450 11.908 23.383 1.00 26.37 N ATOM 594 CA ILE A 232 39.434 11.029 23.927 1.00 25.52 C ATOM 595 C ILE A 232 38.344 10.921 22.873 1.00 31.19 C ATOM 596 O ILE A 232 37.741 11.928 22.495 1.00 29.81 O ATOM 597 CB ILE A 232 38.847 11.561 25.235 1.00 27.92 C ATOM 598 CG1 ILE A 232 39.932 11.772 26.281 1.00 26.24 C ATOM 599 CG2 ILE A 232 37.731 10.641 25.746 1.00 26.51 C ATOM 600 CD1 ILE A 232 39.395 12.518 27.494 1.00 27.12 C ATOM 601 H ILE A 232 40.171 12.875 23.120 1.00 0.00 H ATOM 602 N ILE A 233 38.097 9.715 22.394 1.00 29.20 N ATOM 603 CA ILE A 233 37.091 9.480 21.367 1.00 33.52 C ATOM 604 C ILE A 233 35.815 8.969 22.022 1.00 36.86 C ATOM 605 O ILE A 233 35.814 7.932 22.699 1.00 32.60 O ATOM 606 CB ILE A 233 37.603 8.502 20.302 1.00 35.07 C ATOM 607 CG1 ILE A 233 38.921 9.015 19.725 1.00 38.68 C ATOM 608 CG2 ILE A 233 36.559 8.320 19.209 1.00 47.29 C ATOM 609 CD1 ILE A 233 38.820 10.407 19.125 1.00 46.53 C ATOM 610 H ILE A 233 38.638 8.907 22.762 1.00 0.00 H ATOM 611 N ALA A 234 34.716 9.674 21.782 1.00 37.59 N ATOM 612 CA ALA A 234 33.417 9.302 22.309 1.00 40.81 C ATOM 613 C ALA A 234 32.711 8.426 21.283 1.00 44.66 C ATOM 614 O ALA A 234 32.518 8.841 20.136 1.00 53.99 O ATOM 615 CB ALA A 234 32.592 10.547 22.623 1.00 48.40 C ATOM 616 H ALA A 234 34.789 10.527 21.192 1.00 0.00 H ATOM 617 N MET A 235 32.350 7.215 21.690 1.00 40.47 N ATOM 618 CA MET A 235 31.625 6.287 20.826 1.00 50.38 C ATOM 619 C MET A 235 30.616 5.510 21.652 1.00 59.08 C ATOM 620 O MET A 235 30.991 4.865 22.637 1.00 59.05 O ATOM 621 CB MET A 235 32.582 5.323 20.135 1.00 57.09 C ATOM 622 CG MET A 235 32.943 5.708 18.725 1.00 65.08 C ATOM 623 SD MET A 235 33.303 4.228 17.769 1.00 80.02 S ATOM 624 CE MET A 235 31.874 3.215 18.157 1.00 83.24 C ATOM 625 H MET A 235 32.592 6.917 22.657 1.00 0.00 H ATOM 626 N SER A 236 29.350 5.548 21.233 1.00 72.10 N ATOM 627 CA SER A 236 28.289 4.769 21.870 1.00 74.88 C ATOM 628 C SER A 236 28.213 5.068 23.364 1.00 76.28 C ATOM 629 O SER A 236 28.102 4.167 24.196 1.00 85.44 O ATOM 630 CB SER A 236 28.483 3.272 21.622 1.00 74.04 C ATOM 631 OG SER A 236 28.473 2.985 20.237 1.00 72.51 O ATOM 632 HG SER A 236 27.605 3.263 19.850 1.00 0.00 H ATOM 633 H SER A 236 29.109 6.154 20.423 1.00 0.00 H ATOM 634 N GLY A 237 28.301 6.354 23.700 1.00 72.51 N ATOM 635 CA GLY A 237 28.162 6.791 25.077 1.00 78.22 C ATOM 636 C GLY A 237 29.284 6.340 25.989 1.00 77.25 C ATOM 637 O GLY A 237 29.182 6.452 27.217 1.00 78.92 O ATOM 638 H GLY A 237 28.473 7.062 22.958 1.00 0.00 H ATOM 639 N ASP A 238 30.350 5.812 25.392 1.00 65.41 N ATOM 640 CA ASP A 238 31.581 5.466 26.083 1.00 48.29 C ATOM 641 C ASP A 238 32.702 6.368 25.589 1.00 40.57 C ATOM 642 O ASP A 238 32.538 7.130 24.633 1.00 44.27 O ATOM 643 CB ASP A 238 31.942 3.993 25.868 1.00 50.51 C ATOM 644 CG ASP A 238 31.131 3.054 26.747 1.00 61.79 C ATOM 645 OD1 ASP A 238 30.224 3.532 27.465 1.00 65.61 O ATOM 646 OD2 ASP A 238 31.405 1.834 26.721 1.00 62.52 O ATOM 647 H ASP A 238 30.299 5.636 24.368 1.00 0.00 H ATOM 648 N TYR A 239 33.850 6.267 26.255 1.00 37.71 N ATOM 649 CA TYR A 239 35.005 7.109 25.969 1.00 33.75 C ATOM 650 C TYR A 239 36.250 6.250 25.865 1.00 37.23 C ATOM 651 O TYR A 239 36.511 5.422 26.745 1.00 39.61 O ATOM 652 CB TYR A 239 35.195 8.165 27.055 1.00 31.69 C ATOM 653 CG TYR A 239 34.026 9.121 27.145 1.00 32.30 C ATOM 654 CD1 TYR A 239 33.977 10.257 26.349 1.00 41.67 C ATOM 655 CD2 TYR A 239 32.970 8.881 28.011 1.00 40.25 C ATOM 656 CE1 TYR A 239 32.919 11.133 26.421 1.00 37.40 C ATOM 657 CE2 TYR A 239 31.903 9.751 28.085 1.00 49.19 C ATOM 658 CZ TYR A 239 31.892 10.879 27.289 1.00 36.66 C ATOM 659 OH TYR A 239 30.832 11.748 27.363 1.00 49.22 O ATOM 660 HH TYR A 239 30.758 12.099 28.286 1.00 0.00 H ATOM 661 H TYR A 239 33.926 5.557 27.011 1.00 0.00 H ATOM 662 N TYR A 240 37.032 6.477 24.811 1.00 31.35 N ATOM 663 CA TYR A 240 38.218 5.687 24.514 1.00 30.86 C ATOM 664 C TYR A 240 39.441 6.589 24.519 1.00 32.15 C ATOM 665 O TYR A 240 39.462 7.607 23.820 1.00 31.64 O ATOM 666 CB TYR A 240 38.087 5.003 23.155 1.00 33.14 C ATOM 667 CG TYR A 240 37.014 3.957 23.137 1.00 37.18 C ATOM 668 CD1 TYR A 240 35.688 4.301 22.920 1.00 39.27 C ATOM 669 CD2 TYR A 240 37.325 2.622 23.338 1.00 39.72 C ATOM 670 CE1 TYR A 240 34.697 3.346 22.914 1.00 47.40 C ATOM 671 CE2 TYR A 240 36.337 1.658 23.324 1.00 46.30 C ATOM 672 CZ TYR A 240 35.028 2.027 23.115 1.00 49.90 C ATOM 673 OH TYR A 240 34.043 1.070 23.108 1.00 59.39 O ATOM 674 HH TYR A 240 33.167 1.501 22.946 1.00 0.00 H ATOM 675 H TYR A 240 36.783 7.256 24.169 1.00 0.00 H ATOM 676 N ILE A 241 40.464 6.207 25.275 1.00 33.12 N ATOM 677 CA ILE A 241 41.724 6.946 25.270 1.00 35.84 C ATOM 678 C ILE A 241 42.863 5.943 25.170 1.00 47.27 C ATOM 679 O ILE A 241 43.008 5.066 26.029 1.00 40.35 O ATOM 680 CB ILE A 241 41.862 7.868 26.493 1.00 34.69 C ATOM 681 CG1 ILE A 241 43.239 8.516 26.501 1.00 35.73 C ATOM 682 CG2 ILE A 241 41.616 7.119 27.796 1.00 41.38 C ATOM 683 CD1 ILE A 241 43.336 9.659 27.457 1.00 33.67 C ATOM 684 H ILE A 241 40.366 5.367 25.881 1.00 0.00 H ATOM 685 N GLY A 242 43.659 6.061 24.112 1.00 53.51 N ATOM 686 CA GLY A 242 44.468 4.917 23.740 1.00 58.49 C ATOM 687 C GLY A 242 43.556 3.785 23.318 1.00 61.43 C ATOM 688 O GLY A 242 42.581 3.981 22.583 1.00 54.66 O ATOM 689 H GLY A 242 43.700 6.946 23.568 1.00 0.00 H ATOM 690 N GLY A 243 43.851 2.586 23.804 1.00 65.39 N ATOM 691 CA GLY A 243 43.002 1.447 23.512 1.00 65.50 C ATOM 692 C GLY A 243 42.133 1.069 24.692 1.00 65.12 C ATOM 693 O GLY A 243 41.630 -0.056 24.775 1.00 73.50 O ATOM 694 H GLY A 243 44.696 2.462 24.398 1.00 0.00 H ATOM 695 N ARG A 244 41.945 2.014 25.606 1.00 51.39 N ATOM 696 CA ARG A 244 41.264 1.777 26.871 1.00 45.72 C ATOM 697 C ARG A 244 39.856 2.360 26.808 1.00 43.15 C ATOM 698 O ARG A 244 39.673 3.486 26.341 1.00 42.22 O ATOM 699 CB ARG A 244 42.074 2.412 28.005 1.00 53.91 C ATOM 700 CG ARG A 244 41.566 2.151 29.408 1.00 67.43 C ATOM 701 CD ARG A 244 41.799 0.736 29.894 1.00 76.89 C ATOM 702 NE ARG A 244 41.527 0.609 31.327 1.00 85.43 N ATOM 703 CZ ARG A 244 40.317 0.688 31.879 1.00 88.72 C ATOM 704 NH1 ARG A 244 39.246 0.909 31.127 1.00 89.24 N ATOM 705 NH2 ARG A 244 40.174 0.554 33.190 1.00 90.39 N ATOM 706 HE ARG A 244 42.336 0.445 31.959 1.00 0.00 H ATOM 707 HH12 ARG A 244 38.305 0.969 31.567 1.00 0.00 H ATOM 708 HH11 ARG A 244 39.347 1.022 30.098 1.00 0.00 H ATOM 709 HH22 ARG A 244 39.229 0.616 33.619 1.00 0.00 H ATOM 710 HH21 ARG A 244 41.007 0.387 33.790 1.00 0.00 H ATOM 711 H ARG A 244 42.302 2.971 25.408 1.00 0.00 H ATOM 712 N ARG A 245 38.869 1.599 27.280 1.00 39.43 N ATOM 713 CA ARG A 245 37.466 2.005 27.232 1.00 40.45 C ATOM 714 C ARG A 245 36.993 2.422 28.619 1.00 42.31 C ATOM 715 O ARG A 245 37.237 1.707 29.597 1.00 46.08 O ATOM 716 CB ARG A 245 36.589 0.870 26.706 1.00 53.29 C ATOM 717 CG ARG A 245 35.108 1.209 26.644 1.00 48.61 C ATOM 718 CD ARG A 245 34.242 -0.050 26.591 1.00 65.90 C ATOM 719 NE ARG A 245 34.504 -0.926 27.730 1.00 73.20 N ATOM 720 CZ ARG A 245 34.008 -0.737 28.949 1.00 75.06 C ATOM 721 NH1 ARG A 245 33.213 0.296 29.195 1.00 72.98 N ATOM 722 NH2 ARG A 245 34.305 -1.583 29.925 1.00 78.01 N ATOM 723 HE ARG A 245 35.118 -1.751 27.578 1.00 0.00 H ATOM 724 HH12 ARG A 245 32.827 0.440 30.150 1.00 0.00 H ATOM 725 HH11 ARG A 245 32.975 0.962 28.433 1.00 0.00 H ATOM 726 HH22 ARG A 245 33.917 -1.434 30.878 1.00 0.00 H ATOM 727 HH21 ARG A 245 34.927 -2.396 29.738 1.00 0.00 H ATOM 728 H ARG A 245 39.107 0.678 27.700 1.00 0.00 H ATOM 729 N PHE A 246 36.321 3.583 28.701 1.00 40.55 N ATOM 730 CA PHE A 246 35.667 4.053 29.920 1.00 41.22 C ATOM 731 C PHE A 246 34.210 4.400 29.637 1.00 41.19 C ATOM 732 O PHE A 246 33.891 4.953 28.583 1.00 46.91 O ATOM 733 CB PHE A 246 36.374 5.280 30.494 1.00 39.69 C ATOM 734 CG PHE A 246 37.821 5.053 30.803 1.00 33.70 C ATOM 735 CD1 PHE A 246 38.205 4.549 32.025 1.00 38.14 C ATOM 736 CD2 PHE A 246 38.791 5.333 29.863 1.00 37.71 C ATOM 737 CE1 PHE A 246 39.533 4.333 32.309 1.00 46.62 C ATOM 738 CE2 PHE A 246 40.115 5.123 30.144 1.00 39.96 C ATOM 739 CZ PHE A 246 40.486 4.628 31.369 1.00 41.73 C ATOM 740 H PHE A 246 36.263 4.179 27.851 1.00 0.00 H ATOM 741 N SER A 247 33.319 4.091 30.582 1.00 45.76 N ATOM 742 CA SER A 247 31.905 4.377 30.356 1.00 48.16 C ATOM 743 C SER A 247 31.535 5.823 30.659 1.00 49.97 C ATOM 744 O SER A 247 30.471 6.275 30.223 1.00 56.99 O ATOM 745 CB SER A 247 31.023 3.436 31.183 1.00 66.06 C ATOM 746 OG SER A 247 30.571 2.346 30.399 1.00 76.45 O ATOM 747 HG SER A 247 30.043 2.688 29.634 1.00 0.00 H ATOM 748 H SER A 247 33.629 3.650 31.471 1.00 0.00 H ATOM 749 N SER A 248 32.374 6.553 31.393 1.00 41.13 N ATOM 750 CA SER A 248 32.140 7.966 31.661 1.00 41.46 C ATOM 751 C SER A 248 33.475 8.697 31.728 1.00 39.71 C ATOM 752 O SER A 248 34.526 8.098 31.971 1.00 38.25 O ATOM 753 CB SER A 248 31.364 8.171 32.963 1.00 52.40 C ATOM 754 OG SER A 248 32.146 7.782 34.078 1.00 50.21 O ATOM 755 HG SER A 248 31.627 7.922 34.909 1.00 0.00 H ATOM 756 H SER A 248 33.223 6.100 31.787 1.00 0.00 H ATOM 757 N LEU A 249 33.430 10.009 31.494 1.00 34.35 N ATOM 758 CA LEU A 249 34.621 10.819 31.738 1.00 31.56 C ATOM 759 C LEU A 249 35.006 10.793 33.213 1.00 35.36 C ATOM 760 O LEU A 249 36.195 10.827 33.537 1.00 34.42 O ATOM 761 CB LEU A 249 34.408 12.254 31.247 1.00 35.49 C ATOM 762 CG LEU A 249 34.373 12.471 29.729 1.00 35.92 C ATOM 763 CD1 LEU A 249 34.191 13.954 29.374 1.00 39.14 C ATOM 764 CD2 LEU A 249 35.605 11.920 29.041 1.00 34.22 C ATOM 765 H LEU A 249 32.557 10.451 31.142 1.00 0.00 H ATOM 766 N SER A 250 34.024 10.696 34.119 1.00 35.64 N ATOM 767 CA SER A 250 34.339 10.517 35.536 1.00 35.00 C ATOM 768 C SER A 250 35.225 9.290 35.757 1.00 37.21 C ATOM 769 O SER A 250 36.228 9.356 36.482 1.00 36.97 O ATOM 770 CB SER A 250 33.042 10.410 36.341 1.00 38.60 C ATOM 771 OG SER A 250 33.290 10.191 37.720 1.00 49.58 O ATOM 772 HG SER A 250 33.796 9.347 37.833 1.00 0.00 H ATOM 773 H SER A 250 33.031 10.748 33.813 1.00 0.00 H ATOM 774 N ASP A 251 34.898 8.170 35.105 1.00 33.83 N ATOM 775 CA ASP A 251 35.702 6.963 35.279 1.00 33.14 C ATOM 776 C ASP A 251 37.096 7.133 34.681 1.00 30.30 C ATOM 777 O ASP A 251 38.080 6.621 35.233 1.00 31.78 O ATOM 778 CB ASP A 251 35.005 5.758 34.647 1.00 38.03 C ATOM 779 CG ASP A 251 33.822 5.253 35.468 1.00 54.35 C ATOM 780 OD1 ASP A 251 33.392 5.945 36.417 1.00 56.11 O ATOM 781 OD2 ASP A 251 33.327 4.149 35.157 1.00 56.22 O ATOM 782 H ASP A 251 34.071 8.158 34.474 1.00 0.00 H ATOM 783 N LEU A 252 37.190 7.820 33.538 1.00 28.68 N ATOM 784 CA LEU A 252 38.483 8.078 32.915 1.00 28.77 C ATOM 785 C LEU A 252 39.364 8.912 33.830 1.00 28.66 C ATOM 786 O LEU A 252 40.539 8.594 34.052 1.00 28.07 O ATOM 787 CB LEU A 252 38.271 8.777 31.567 1.00 28.60 C ATOM 788 CG LEU A 252 39.452 9.016 30.627 1.00 27.95 C ATOM 789 CD1 LEU A 252 38.955 9.155 29.202 1.00 31.91 C ATOM 790 CD2 LEU A 252 40.259 10.248 31.013 1.00 29.77 C ATOM 791 H LEU A 252 36.325 8.177 33.085 1.00 0.00 H ATOM 792 N ILE A 253 38.825 10.015 34.341 1.00 29.13 N ATOM 793 CA ILE A 253 39.609 10.845 35.248 1.00 29.62 C ATOM 794 C ILE A 253 39.980 10.063 36.495 1.00 30.57 C ATOM 795 O ILE A 253 41.108 10.168 36.992 1.00 32.81 O ATOM 796 CB ILE A 253 38.845 12.131 35.595 1.00 29.71 C ATOM 797 CG1 ILE A 253 38.761 13.006 34.358 1.00 29.41 C ATOM 798 CG2 ILE A 253 39.531 12.868 36.730 1.00 32.28 C ATOM 799 CD1 ILE A 253 37.820 14.173 34.530 1.00 36.36 C ATOM 800 H ILE A 253 37.851 10.284 34.095 1.00 0.00 H ATOM 801 N GLY A 254 39.046 9.268 37.026 1.00 28.54 N ATOM 802 CA GLY A 254 39.376 8.464 38.187 1.00 30.48 C ATOM 803 C GLY A 254 40.545 7.532 37.925 1.00 33.61 C ATOM 804 O GLY A 254 41.440 7.381 38.764 1.00 35.17 O ATOM 805 H GLY A 254 38.093 9.226 36.611 1.00 0.00 H ATOM 806 N TYR A 255 40.560 6.912 36.746 1.00 31.50 N ATOM 807 CA TYR A 255 41.605 5.947 36.418 1.00 33.62 C ATOM 808 C TYR A 255 42.977 6.606 36.365 1.00 29.71 C ATOM 809 O TYR A 255 43.938 6.093 36.943 1.00 32.82 O ATOM 810 CB TYR A 255 41.266 5.285 35.089 1.00 30.89 C ATOM 811 CG TYR A 255 42.265 4.257 34.621 1.00 33.57 C ATOM 812 CD1 TYR A 255 42.268 2.969 35.154 1.00 34.94 C ATOM 813 CD2 TYR A 255 43.179 4.562 33.630 1.00 36.64 C ATOM 814 CE1 TYR A 255 43.167 2.021 34.712 1.00 39.61 C ATOM 815 CE2 TYR A 255 44.089 3.621 33.188 1.00 39.64 C ATOM 816 CZ TYR A 255 44.079 2.354 33.731 1.00 45.14 C ATOM 817 OH TYR A 255 44.984 1.417 33.281 1.00 44.90 O ATOM 818 HH TYR A 255 44.846 0.566 33.768 1.00 0.00 H ATOM 819 H TYR A 255 39.816 7.119 36.049 1.00 0.00 H ATOM 820 N TYR A 256 43.086 7.761 35.709 1.00 28.91 N ATOM 821 CA TYR A 256 44.374 8.424 35.582 1.00 27.59 C ATOM 822 C TYR A 256 44.693 9.326 36.764 1.00 31.27 C ATOM 823 O TYR A 256 45.786 9.908 36.806 1.00 33.64 O ATOM 824 CB TYR A 256 44.441 9.201 34.262 1.00 26.95 C ATOM 825 CG TYR A 256 44.622 8.252 33.090 1.00 28.38 C ATOM 826 CD1 TYR A 256 45.794 7.521 32.956 1.00 30.52 C ATOM 827 CD2 TYR A 256 43.625 8.070 32.138 1.00 31.02 C ATOM 828 CE1 TYR A 256 45.975 6.636 31.912 1.00 34.50 C ATOM 829 CE2 TYR A 256 43.795 7.179 31.078 1.00 29.85 C ATOM 830 CZ TYR A 256 44.987 6.474 30.969 1.00 30.10 C ATOM 831 OH TYR A 256 45.205 5.574 29.932 1.00 33.46 O ATOM 832 HH TYR A 256 46.106 5.175 30.027 1.00 0.00 H ATOM 833 H TYR A 256 42.241 8.193 35.283 1.00 0.00 H ATOM 834 N SER A 257 43.781 9.436 37.737 1.00 31.31 N ATOM 835 CA SER A 257 44.070 10.110 39.001 1.00 31.58 C ATOM 836 C SER A 257 44.583 9.153 40.070 1.00 35.68 C ATOM 837 O SER A 257 45.440 9.525 40.878 1.00 37.37 O ATOM 838 CB SER A 257 42.816 10.810 39.538 1.00 32.60 C ATOM 839 OG SER A 257 42.330 11.785 38.636 1.00 34.05 O ATOM 840 HG SER A 257 42.100 11.352 37.776 1.00 0.00 H ATOM 841 H SER A 257 42.836 9.029 37.589 1.00 0.00 H ATOM 842 N HIS A 258 44.066 7.919 40.108 1.00 32.16 N ATOM 843 CA HIS A 258 44.288 7.034 41.244 1.00 34.38 C ATOM 844 C HIS A 258 44.832 5.663 40.893 1.00 37.93 C ATOM 845 O HIS A 258 45.326 4.972 41.793 1.00 45.37 O ATOM 846 CB HIS A 258 42.982 6.814 42.028 1.00 43.52 C ATOM 847 CG HIS A 258 42.294 8.079 42.431 1.00 42.01 C ATOM 848 ND1 HIS A 258 41.042 8.426 41.973 1.00 44.23 N ATOM 849 CD2 HIS A 258 42.681 9.076 43.260 1.00 42.28 C ATOM 850 CE1 HIS A 258 40.691 9.588 42.494 1.00 43.39 C ATOM 851 NE2 HIS A 258 41.668 10.004 43.279 1.00 48.42 N ATOM 852 H HIS A 258 43.492 7.584 39.308 1.00 0.00 H ATOM 853 N VAL A 259 44.713 5.219 39.651 1.00 38.13 N ATOM 854 CA VAL A 259 44.989 3.837 39.290 1.00 39.90 C ATOM 855 C VAL A 259 46.253 3.717 38.455 1.00 39.54 C ATOM 856 O VAL A 259 47.130 2.906 38.754 1.00 44.76 O ATOM 857 CB VAL A 259 43.783 3.208 38.561 1.00 39.59 C ATOM 858 CG1 VAL A 259 44.108 1.780 38.153 1.00 42.70 C ATOM 859 CG2 VAL A 259 42.564 3.242 39.465 1.00 42.54 C ATOM 860 H VAL A 259 44.412 5.881 38.908 1.00 0.00 H ATOM 861 N SER A 260 46.357 4.503 37.393 1.00 41.71 N ATOM 862 CA SER A 260 47.447 4.372 36.443 1.00 44.51 C ATOM 863 C SER A 260 48.058 5.732 36.149 1.00 42.83 C ATOM 864 O SER A 260 47.366 6.753 36.118 1.00 43.36 O ATOM 865 CB SER A 260 46.971 3.733 35.136 1.00 52.57 C ATOM 866 OG SER A 260 47.993 3.759 34.156 1.00 63.88 O ATOM 867 HG SER A 260 48.252 4.697 33.975 1.00 0.00 H ATOM 868 H SER A 260 45.636 5.236 37.235 1.00 0.00 H ATOM 869 N SER A 261 49.372 5.727 35.933 1.00 39.51 N ATOM 870 CA SER A 261 50.060 6.923 35.473 1.00 37.09 C ATOM 871 C SER A 261 49.569 7.328 34.090 1.00 35.01 C ATOM 872 O SER A 261 49.381 6.492 33.202 1.00 43.01 O ATOM 873 CB SER A 261 51.566 6.684 35.435 1.00 41.90 C ATOM 874 OG SER A 261 52.121 6.746 36.734 1.00 54.25 O ATOM 875 HG SER A 261 53.097 6.588 36.683 1.00 0.00 H ATOM 876 H SER A 261 49.914 4.855 36.096 1.00 0.00 H ATOM 877 N LEU A 262 49.364 8.628 33.914 1.00 36.06 N ATOM 878 CA LEU A 262 49.087 9.177 32.595 1.00 32.91 C ATOM 879 C LEU A 262 50.378 9.386 31.805 1.00 35.03 C ATOM 880 O LEU A 262 50.441 9.098 30.601 1.00 34.79 O ATOM 881 CB LEU A 262 48.326 10.491 32.756 1.00 32.26 C ATOM 882 CG LEU A 262 47.971 11.186 31.463 1.00 32.31 C ATOM 883 CD1 LEU A 262 47.032 10.309 30.662 1.00 30.50 C ATOM 884 CD2 LEU A 262 47.322 12.528 31.768 1.00 37.29 C ATOM 885 H LEU A 262 49.402 9.266 34.734 1.00 0.00 H ATOM 886 N LEU A 263 51.404 9.921 32.467 1.00 33.68 N ATOM 887 CA LEU A 263 52.780 9.957 31.998 1.00 35.20 C ATOM 888 C LEU A 263 53.627 9.231 33.024 1.00 36.97 C ATOM 889 O LEU A 263 53.210 9.053 34.168 1.00 40.13 O ATOM 890 CB LEU A 263 53.292 11.388 31.843 1.00 35.99 C ATOM 891 CG LEU A 263 52.532 12.245 30.835 1.00 38.42 C ATOM 892 CD1 LEU A 263 53.036 13.663 30.851 1.00 42.40 C ATOM 893 CD2 LEU A 263 52.675 11.610 29.455 1.00 35.45 C ATOM 894 H LEU A 263 51.204 10.347 33.394 1.00 0.00 H ATOM 895 N LYS A 264 54.823 8.822 32.619 1.00 38.75 N ATOM 896 CA LYS A 264 55.692 8.110 33.546 1.00 44.00 C ATOM 897 C LYS A 264 55.858 8.910 34.830 1.00 40.97 C ATOM 898 O LYS A 264 56.391 10.021 34.818 1.00 54.55 O ATOM 899 CB LYS A 264 57.053 7.833 32.908 1.00 51.79 C ATOM 900 CG LYS A 264 57.821 6.738 33.618 1.00 57.14 C ATOM 901 CD LYS A 264 59.247 6.673 33.135 1.00 54.09 C ATOM 902 CE LYS A 264 60.188 6.314 34.274 1.00 66.35 C ATOM 903 NZ LYS A 264 61.609 6.672 33.981 1.00 75.78 N ATOM 904 HZ1 LYS A 264 61.926 6.162 33.132 1.00 0.00 H ATOM 905 HZ2 LYS A 264 61.681 7.697 33.818 1.00 0.00 H ATOM 906 HZ3 LYS A 264 62.206 6.406 34.790 1.00 0.00 H ATOM 907 H LYS A 264 55.138 9.009 31.646 1.00 0.00 H ATOM 908 N GLY A 265 55.328 8.364 35.924 1.00 51.76 N ATOM 909 CA GLY A 265 55.457 8.982 37.228 1.00 48.81 C ATOM 910 C GLY A 265 54.561 10.173 37.478 1.00 51.27 C ATOM 911 O GLY A 265 54.831 10.948 38.401 1.00 52.12 O ATOM 912 H GLY A 265 54.807 7.468 35.839 1.00 0.00 H ATOM 913 N GLU A 266 53.504 10.352 36.683 1.00 43.88 N ATOM 914 CA GLU A 266 52.639 11.521 36.798 1.00 41.66 C ATOM 915 C GLU A 266 51.180 11.110 36.658 1.00 37.95 C ATOM 916 O GLU A 266 50.823 10.411 35.705 1.00 39.73 O ATOM 917 CB GLU A 266 52.994 12.568 35.731 1.00 39.85 C ATOM 918 CG GLU A 266 54.495 12.822 35.592 1.00 46.34 C ATOM 919 CD GLU A 266 54.828 14.133 34.903 1.00 63.01 C ATOM 920 OE1 GLU A 266 54.043 15.094 35.034 1.00 61.54 O ATOM 921 OE2 GLU A 266 55.886 14.202 34.239 1.00 66.20 O ATOM 922 H GLU A 266 53.291 9.636 35.959 1.00 0.00 H ATOM 923 N LYS A 267 50.341 11.547 37.600 1.00 37.56 N ATOM 924 CA LYS A 267 48.904 11.302 37.556 1.00 35.64 C ATOM 925 C LYS A 267 48.140 12.623 37.522 1.00 31.27 C ATOM 926 O LYS A 267 48.682 13.689 37.821 1.00 37.25 O ATOM 927 CB LYS A 267 48.422 10.466 38.762 1.00 37.74 C ATOM 928 CG LYS A 267 48.868 9.010 38.754 1.00 45.73 C ATOM 929 CD LYS A 267 48.326 8.249 39.959 1.00 47.72 C ATOM 930 CE LYS A 267 48.864 6.825 40.006 1.00 58.95 C ATOM 931 NZ LYS A 267 50.329 6.765 40.299 1.00 69.00 N ATOM 932 HZ1 LYS A 267 50.851 7.277 39.559 1.00 0.00 H ATOM 933 HZ2 LYS A 267 50.515 7.205 41.223 1.00 0.00 H ATOM 934 HZ3 LYS A 267 50.637 5.772 40.318 1.00 0.00 H ATOM 935 H LYS A 267 50.729 12.086 38.400 1.00 0.00 H ATOM 936 N LEU A 268 46.856 12.539 37.152 1.00 32.18 N ATOM 937 CA LEU A 268 45.990 13.713 37.215 1.00 27.07 C ATOM 938 C LEU A 268 45.824 14.181 38.655 1.00 32.00 C ATOM 939 O LEU A 268 45.475 13.390 39.530 1.00 38.20 O ATOM 940 CB LEU A 268 44.619 13.391 36.628 1.00 30.42 C ATOM 941 CG LEU A 268 44.550 12.988 35.166 1.00 27.71 C ATOM 942 CD1 LEU A 268 43.099 12.667 34.832 1.00 28.05 C ATOM 943 CD2 LEU A 268 45.076 14.089 34.258 1.00 30.70 C ATOM 944 H LEU A 268 46.473 11.632 36.818 1.00 0.00 H ATOM 945 N LEU A 269 46.021 15.483 38.896 1.00 41.66 N ATOM 946 CA LEU A 269 45.968 15.993 40.265 1.00 45.41 C ATOM 947 C LEU A 269 44.912 17.066 40.480 1.00 44.29 C ATOM 948 O LEU A 269 44.134 16.975 41.435 1.00 53.77 O ATOM 949 CB LEU A 269 47.338 16.542 40.695 1.00 47.25 C ATOM 950 CG LEU A 269 48.563 15.626 40.680 1.00 55.10 C ATOM 951 CD1 LEU A 269 49.797 16.388 41.144 1.00 67.33 C ATOM 952 CD2 LEU A 269 48.355 14.386 41.525 1.00 58.02 C ATOM 953 H LEU A 269 46.212 16.133 38.107 1.00 0.00 H ATOM 954 N TYR A 270 44.867 18.095 39.645 1.00 41.00 N ATOM 955 CA TYR A 270 44.095 19.301 39.952 1.00 40.38 C ATOM 956 C TYR A 270 43.163 19.657 38.802 1.00 36.89 C ATOM 957 O TYR A 270 43.637 20.102 37.739 1.00 34.50 O ATOM 958 CB TYR A 270 45.051 20.450 40.267 1.00 45.62 C ATOM 959 CG TYR A 270 46.081 20.069 41.316 1.00 52.49 C ATOM 960 CD1 TYR A 270 45.690 19.504 42.528 1.00 70.49 C ATOM 961 CD2 TYR A 270 47.441 20.232 41.080 1.00 48.61 C ATOM 962 CE1 TYR A 270 46.623 19.133 43.481 1.00 76.06 C ATOM 963 CE2 TYR A 270 48.380 19.868 42.032 1.00 59.05 C ATOM 964 CZ TYR A 270 47.967 19.316 43.227 1.00 75.73 C ATOM 965 OH TYR A 270 48.900 18.949 44.171 1.00 81.94 O ATOM 966 HH TYR A 270 48.438 18.573 44.962 1.00 0.00 H ATOM 967 H TYR A 270 45.393 18.044 38.749 1.00 0.00 H ATOM 968 N PRO A 271 41.851 19.498 38.954 1.00 38.76 N ATOM 969 CA PRO A 271 40.946 19.916 37.883 1.00 35.66 C ATOM 970 C PRO A 271 40.943 21.427 37.773 1.00 35.06 C ATOM 971 O PRO A 271 41.003 22.144 38.775 1.00 37.33 O ATOM 972 CB PRO A 271 39.581 19.379 38.335 1.00 38.29 C ATOM 973 CG PRO A 271 39.690 19.322 39.810 1.00 41.98 C ATOM 974 CD PRO A 271 41.121 18.935 40.099 1.00 48.27 C ATOM 975 N VAL A 272 40.894 21.907 36.541 1.00 33.27 N ATOM 976 CA VAL A 272 40.875 23.330 36.255 1.00 35.18 C ATOM 977 C VAL A 272 39.522 23.645 35.642 1.00 33.28 C ATOM 978 O VAL A 272 39.160 23.086 34.597 1.00 37.07 O ATOM 979 CB VAL A 272 42.025 23.741 35.329 1.00 33.93 C ATOM 980 CG1 VAL A 272 41.880 25.203 34.956 1.00 33.78 C ATOM 981 CG2 VAL A 272 43.359 23.506 36.012 1.00 37.40 C ATOM 982 H VAL A 272 40.868 21.238 35.745 1.00 0.00 H ATOM 983 N ALA A 273 38.769 24.545 36.304 1.00 38.23 N ATOM 984 CA ALA A 273 37.443 24.869 35.818 1.00 44.79 C ATOM 985 C ALA A 273 37.507 26.055 34.867 1.00 42.20 C ATOM 986 O ALA A 273 38.438 26.860 34.935 1.00 40.21 O ATOM 987 CB ALA A 273 36.514 25.195 36.981 1.00 44.54 C ATOM 988 H ALA A 273 39.138 25.005 37.160 1.00 0.00 H ATOM 989 N PRO A 274 36.546 26.162 33.951 1.00 39.04 N ATOM 990 CA PRO A 274 36.508 27.327 33.078 1.00 44.12 C ATOM 991 C PRO A 274 36.199 28.575 33.877 1.00 44.05 C ATOM 992 O PRO A 274 35.548 28.509 34.936 1.00 45.33 O ATOM 993 CB PRO A 274 35.379 26.990 32.087 1.00 49.09 C ATOM 994 CG PRO A 274 34.526 25.975 32.805 1.00 43.54 C ATOM 995 CD PRO A 274 35.462 25.198 33.670 1.00 40.43 C ATOM 996 N PRO A 275 36.667 29.743 33.435 1.00 46.06 N ATOM 997 CA PRO A 275 36.303 30.976 34.135 1.00 49.79 C ATOM 998 C PRO A 275 34.820 31.293 34.024 1.00 69.72 C ATOM 999 O PRO A 275 34.313 32.102 34.811 1.00 84.24 O ATOM 1000 CB PRO A 275 37.173 32.038 33.450 1.00 49.50 C ATOM 1001 CG PRO A 275 37.465 31.489 32.122 1.00 52.92 C ATOM 1002 CD PRO A 275 37.555 30.001 32.289 1.00 44.39 C ATOM 1003 N GLU A 276 34.115 30.659 33.083 1.00 87.17 N ATOM 1004 CA GLU A 276 32.674 30.723 32.890 1.00106.84 C ATOM 1005 C GLU A 276 32.102 29.312 32.816 1.00111.50 C ATOM 1006 O GLU A 276 32.683 28.442 32.159 1.00117.11 O ATOM 1007 CB GLU A 276 32.327 31.499 31.606 1.00117.36 C ATOM 1008 CG GLU A 276 33.174 31.142 30.375 1.00123.83 C ATOM 1009 CD GLU A 276 32.688 29.895 29.647 1.00132.76 C ATOM 1010 OE1 GLU A 276 33.474 28.929 29.522 1.00130.35 O ATOM 1011 OE2 GLU A 276 31.519 29.881 29.204 1.00141.45 O ATOM 1012 H GLU A 276 34.649 30.060 32.422 1.00 0.00 H ATOM 1013 N PRO A 277 30.972 29.042 33.487 1.00107.16 N ATOM 1014 CA PRO A 277 30.394 27.694 33.424 1.00100.61 C ATOM 1015 C PRO A 277 29.502 27.466 32.204 1.00101.82 C ATOM 1016 O PRO A 277 29.464 28.305 31.303 1.00101.73 O ATOM 1017 CB PRO A 277 29.577 27.613 34.713 1.00100.72 C ATOM 1018 CG PRO A 277 29.152 29.018 34.959 1.00105.00 C ATOM 1019 CD PRO A 277 30.276 29.898 34.464 1.00108.08 C TER 1020 PRO A 277 HETATM 1021 O HOH 1 36.859 19.146 43.494 1.00 82.90 O HETATM 1022 O HOH 2 36.026 7.308 39.748 1.00 57.62 O HETATM 1023 O HOH 3 27.946 7.879 28.629 1.00 59.02 O HETATM 1024 O HOH 4 38.735 28.312 21.540 1.00 37.13 O HETATM 1025 O HOH 5 52.613 16.221 36.728 1.00 55.03 O HETATM 1026 O HOH 6 41.309 14.528 39.577 1.00 46.10 O HETATM 1027 O HOH 7 49.129 31.830 25.834 1.00 49.63 O HETATM 1028 O HOH 8 44.056 8.858 22.971 1.00 55.89 O HETATM 1029 O HOH 9 26.684 3.073 18.403 1.00 57.11 O HETATM 1030 O HOH 10 43.077 23.647 18.597 1.00 47.36 O HETATM 1031 O HOH 11 29.328 11.323 29.403 1.00 52.33 O HETATM 1032 O HOH 12 30.644 22.461 20.728 1.00 36.10 O HETATM 1033 O HOH 13 46.111 12.190 41.724 1.00 52.18 O HETATM 1034 O HOH 14 30.912 20.528 24.067 1.00 39.10 O HETATM 1035 O HOH 15 35.100 27.535 28.058 1.00 36.14 O HETATM 1036 O HOH 16 42.647 15.696 43.134 1.00 59.24 O HETATM 1037 O HOH 17 29.368 12.245 25.240 1.00 40.90 O HETATM 1038 O HOH 18 31.972 23.093 32.904 1.00 50.55 O HETATM 1039 O HOH 19 51.241 14.012 38.401 1.00 63.04 O HETATM 1040 O HOH 20 53.105 23.182 26.263 1.00 37.00 O HETATM 1041 O HOH 21 30.399 13.878 20.159 1.00 39.39 O HETATM 1042 O HOH 22 53.747 26.430 34.495 1.00 62.11 O HETATM 1043 O HOH 23 57.450 15.075 32.204 1.00 53.09 O HETATM 1044 O HOH 24 40.256 28.232 33.462 1.00 33.09 O HETATM 1045 O HOH 25 45.532 36.317 34.823 1.00 36.45 O HETATM 1046 O HOH 26 34.218 11.449 19.767 1.00 34.00 O HETATM 1047 O HOH 27 38.146 22.910 39.260 1.00 49.70 O HETATM 1048 O HOH 28 56.927 16.702 30.046 1.00 40.51 O HETATM 1049 O HOH 29 39.554 26.121 38.428 1.00 54.92 O HETATM 1050 O HOH 30 33.792 7.746 38.910 1.00 57.50 O HETATM 1051 O HOH 31 56.947 11.535 32.568 1.00 52.87 O HETATM 1052 O HOH 32 50.606 30.816 28.934 1.00 42.76 O HETATM 1053 O HOH 33 30.876 20.294 17.505 1.00 63.59 O HETATM 1054 O HOH 34 40.254 14.649 19.901 1.00 34.62 O HETATM 1055 O HOH 35 34.406 34.322 36.628 1.00 55.38 O HETATM 1056 O HOH 36 54.404 24.380 36.747 1.00 70.45 O HETATM 1057 O HOH 37 34.666 2.603 32.709 1.00 63.51 O HETATM 1058 O HOH 38 45.553 23.867 39.773 1.00 54.15 O HETATM 1059 O HOH 39 32.229 13.389 37.349 1.00 63.65 O HETATM 1060 O HOH 40 52.841 29.002 34.521 1.00 54.70 O HETATM 1061 O HOH 41 31.019 24.050 23.235 1.00 46.52 O HETATM 1062 O HOH 42 46.105 12.076 16.700 1.00 47.97 O HETATM 1063 O HOH 43 54.345 22.235 40.155 1.00 61.54 O HETATM 1064 O HOH 44 29.533 21.384 32.623 1.00 69.27 O HETATM 1065 O HOH 45 46.074 10.512 18.903 1.00 50.62 O HETATM 1066 O HOH 46 42.799 27.958 37.668 1.00 82.30 O HETATM 1067 O HOH 47 30.312 24.312 29.384 1.00 56.26 O HETATM 1068 O HOH 48 55.979 28.581 36.252 1.00 67.82 O HETATM 1069 O HOH 49 37.716 3.533 18.883 1.00 56.06 O HETATM 1070 O HOH 50 47.795 15.190 14.852 1.00 50.23 O HETATM 1071 O HOH 51 44.864 20.071 15.690 1.00 42.57 O HETATM 1072 O HOH 52 45.799 10.953 21.571 1.00 31.42 O HETATM 1073 O HOH 53 50.721 16.426 23.600 1.00 35.74 O HETATM 1074 O HOH 54 43.365 18.348 15.707 1.00 56.14 O HETATM 1075 O HOH 55 48.681 13.279 16.745 1.00 39.65 O HETATM 1076 O HOH 56 52.915 5.525 25.139 1.00 57.40 O HETATM 1077 C ACE A 57 46.019 23.495 6.174 1.00 0.18 C HETATM 1078 O ACE A 57 47.135 23.002 6.007 1.00 -0.40 O HETATM 1079 CH3 ACE A 57 44.957 23.425 5.115 1.00 0.03 C HETATM 1080 H1 ACE A 57 44.047 23.926 5.475 1.00 0.05 H HETATM 1081 H2 ACE A 57 44.731 22.372 4.891 1.00 0.05 H HETATM 1082 H3 ACE A 57 45.315 23.925 4.203 1.00 0.05 H HETATM 1083 N ACE A 57 45.664 24.120 7.295 1.00 -0.27 N HETATM 1084 CA ACE A 57 46.557 24.297 8.437 1.00 0.13 C HETATM 1085 C ACE A 57 47.014 22.968 9.016 1.00 0.20 C HETATM 1086 O ACE A 57 46.227 22.028 9.133 1.00 -0.39 O HETATM 1087 N ACE A 57 48.293 22.896 9.377 1.00 -0.26 N HETATM 1088 CA ACE A 57 48.827 21.679 9.964 1.00 0.13 C HETATM 1089 C ACE A 57 48.128 21.388 11.282 1.00 0.20 C HETATM 1090 O ACE A 57 47.913 22.282 12.106 1.00 -0.39 O HETATM 1091 N ACE A 57 47.763 20.131 11.477 1.00 -0.26 N HETATM 1092 CA ACE A 57 47.127 19.757 12.724 1.00 0.13 C HETATM 1093 C ACE A 57 48.154 19.673 13.842 1.00 0.20 C HETATM 1094 O ACE A 57 49.341 19.421 13.613 1.00 -0.39 O HETATM 1095 N ACE A 57 47.682 19.900 15.061 1.00 -0.26 N HETATM 1096 CA ACE A 57 48.531 19.724 16.222 1.00 0.15 C HETATM 1097 C ACE A 57 48.750 18.242 16.479 1.00 0.21 C HETATM 1098 O ACE A 57 47.978 17.390 16.027 1.00 -0.39 O HETATM 1099 N ACE A 57 49.812 17.941 17.223 1.00 -0.26 N HETATM 1100 CA ACE A 57 50.173 16.563 17.540 1.00 0.13 C HETATM 1101 C ACE A 57 49.630 16.171 18.901 1.00 0.20 C HETATM 1102 O ACE A 57 49.684 16.955 19.846 1.00 -0.39 O HETATM 1103 N ACE A 57 49.078 14.966 19.002 1.00 -0.26 N HETATM 1104 CA ACE A 57 48.521 14.508 20.267 1.00 0.15 C HETATM 1105 C ACE A 57 49.327 13.341 20.805 1.00 0.21 C HETATM 1106 O ACE A 57 49.966 12.576 20.066 1.00 -0.39 O HETATM 1107 N ACE A 57 49.305 13.206 22.117 1.00 -0.26 N HETATM 1108 CA ACE A 57 50.057 12.171 22.779 1.00 0.15 C HETATM 1109 C ACE A 57 49.148 11.019 23.165 1.00 0.21 C HETATM 1110 O ACE A 57 47.923 11.125 23.107 1.00 -0.39 O HETATM 1111 N ACE A 57 49.777 9.930 23.588 1.00 -0.26 N HETATM 1112 CA ACE A 57 49.088 8.725 24.037 1.00 0.13 C HETATM 1113 C ACE A 57 49.546 8.433 25.461 1.00 0.21 C HETATM 1114 O ACE A 57 50.727 8.637 25.780 1.00 -0.39 O HETATM 1115 N ACE A 57 48.657 7.980 26.349 1.00 -0.25 N HETATM 1116 CA ACE A 57 49.071 7.697 27.733 1.00 0.13 C HETATM 1117 C ACE A 57 50.199 6.676 27.836 1.00 0.20 C HETATM 1118 O ACE A 57 50.361 5.790 26.989 1.00 -0.39 O HETATM 1119 N ACE A 57 50.963 6.755 28.907 1.00 -0.26 N HETATM 1120 CA ACE A 57 52.104 5.847 29.177 1.00 0.14 C HETATM 1121 C ACE A 57 51.700 4.369 29.087 1.00 0.21 C HETATM 1122 O ACE A 57 52.487 3.599 28.662 1.00 -0.39 O HETATM 1123 N ACE A 57 50.463 4.024 29.392 1.00 -0.26 N HETATM 1124 CA ACE A 57 50.032 2.601 29.452 1.00 0.14 C HETATM 1125 C ACE A 57 49.470 2.113 28.124 1.00 0.21 C HETATM 1126 O ACE A 57 48.827 1.091 28.143 1.00 -0.39 O HETATM 1127 N ACE A 57 49.651 2.858 27.037 1.00 -0.27 N HETATM 1128 CA ACE A 57 49.020 2.449 25.766 1.00 0.12 C HETATM 1129 C ACE A 57 49.981 2.479 24.580 1.00 0.06 C HETATM 1130 O ACE A 57 51.039 3.039 24.723 1.00 -0.57 O HETATM 1131 OXT ACE A 57 49.635 1.941 23.558 1.00 -0.57 O HETATM 1132 CB ACE A 57 47.886 3.333 25.506 1.00 0.08 C HETATM 1133 OG ACE A 57 48.394 4.539 25.020 1.00 -0.39 O HETATM 1134 H83 ACE A 57 48.972 4.923 25.669 1.00 0.21 H HETATM 1135 H81 ACE A 57 47.327 3.509 26.437 1.00 0.06 H HETATM 1136 H82 ACE A 57 47.220 2.878 24.758 1.00 0.06 H HETATM 1137 H80 ACE A 57 48.651 1.419 25.880 1.00 0.07 H HETATM 1138 H79 ACE A 57 50.209 3.687 27.080 1.00 0.19 H HETATM 1139 CB ACE A 57 48.905 2.435 30.477 1.00 0.04 C HETATM 1140 CG ACE A 57 48.044 3.679 30.562 1.00 0.04 C HETATM 1141 OD1 ACE A 57 46.997 3.704 29.974 1.00 -0.57 O HETATM 1142 OD2 ACE A 57 48.493 4.634 31.188 1.00 -0.57 O HETATM 1143 H77 ACE A 57 49.347 2.238 31.465 1.00 0.05 H HETATM 1144 H78 ACE A 57 48.275 1.584 30.180 1.00 0.05 H HETATM 1145 H76 ACE A 57 50.895 1.981 29.737 1.00 0.08 H HETATM 1146 H75 ACE A 57 49.795 4.741 29.589 1.00 0.19 H HETATM 1147 CB ACE A 57 52.678 6.201 30.549 1.00 0.01 C HETATM 1148 CG ACE A 57 53.822 5.365 31.002 1.00 -0.00 C HETATM 1149 ND1 ACE A 57 55.005 5.301 30.322 1.00 -0.33 N HETATM 1150 CE1 ACE A 57 55.823 4.507 30.951 1.00 0.09 C HETATM 1151 NE2 ACE A 57 55.218 4.066 32.026 1.00 -0.28 N HETATM 1152 CD2 ACE A 57 53.977 4.595 32.088 1.00 0.03 C HETATM 1153 H72 ACE A 57 53.241 4.428 32.873 1.00 0.07 H HETATM 1154 H74 ACE A 57 55.625 3.418 32.715 1.00 0.24 H HETATM 1155 H73 ACE A 57 56.835 4.253 30.638 1.00 0.12 H HETATM 1156 H70 ACE A 57 51.871 6.100 31.290 1.00 0.04 H HETATM 1157 H71 ACE A 57 53.016 7.247 30.515 1.00 0.04 H HETATM 1158 H69 ACE A 57 52.879 6.028 28.418 1.00 0.08 H HETATM 1159 H68 ACE A 57 50.761 7.469 29.577 1.00 0.19 H HETATM 1160 CB ACE A 57 47.790 7.166 28.383 1.00 -0.01 C HETATM 1161 CG ACE A 57 46.695 7.754 27.566 1.00 -0.03 C HETATM 1162 CD ACE A 57 47.201 7.825 26.168 1.00 0.04 C HETATM 1163 H66 ACE A 57 46.967 6.903 25.616 1.00 0.05 H HETATM 1164 H67 ACE A 57 46.775 8.689 25.637 1.00 0.05 H HETATM 1165 H64 ACE A 57 46.447 8.761 27.932 1.00 0.03 H HETATM 1166 H65 ACE A 57 45.800 7.116 27.614 1.00 0.03 H HETATM 1167 H62 ACE A 57 47.717 7.498 29.429 1.00 0.03 H HETATM 1168 H63 ACE A 57 47.759 6.067 28.343 1.00 0.03 H HETATM 1169 H61 ACE A 57 49.396 8.626 28.225 1.00 0.08 H HETATM 1170 CB ACE A 57 49.372 7.554 23.085 1.00 -0.01 C HETATM 1171 CG1 ACE A 57 48.823 7.821 21.717 1.00 -0.06 C HETATM 1172 H55 ACE A 57 49.042 6.966 21.061 1.00 0.02 H HETATM 1173 H56 ACE A 57 49.289 8.728 21.305 1.00 0.02 H HETATM 1174 H57 ACE A 57 47.734 7.965 21.780 1.00 0.02 H HETATM 1175 CG2 ACE A 57 50.861 7.322 23.001 1.00 -0.06 C HETATM 1176 H58 ACE A 57 51.259 7.127 24.008 1.00 0.02 H HETATM 1177 H59 ACE A 57 51.348 8.214 22.581 1.00 0.02 H HETATM 1178 H60 ACE A 57 51.061 6.456 22.353 1.00 0.02 H HETATM 1179 H54 ACE A 57 48.891 6.649 23.486 1.00 0.03 H HETATM 1180 H53 ACE A 57 48.004 8.910 24.043 1.00 0.08 H HETATM 1181 H52 ACE A 57 50.777 9.935 23.600 1.00 0.19 H HETATM 1182 CB ACE A 57 50.737 12.728 24.018 1.00 0.08 C HETATM 1183 OG ACE A 57 51.591 13.818 23.676 1.00 -0.39 O HETATM 1184 H51 ACE A 57 51.077 14.507 23.271 1.00 0.21 H HETATM 1185 H49 ACE A 57 51.335 11.934 24.489 1.00 0.06 H HETATM 1186 H50 ACE A 57 49.970 13.078 24.725 1.00 0.06 H HETATM 1187 H48 ACE A 57 50.828 11.798 22.088 1.00 0.08 H HETATM 1188 H47 ACE A 57 48.754 13.836 22.664 1.00 0.19 H HETATM 1189 CB ACE A 57 47.051 14.103 20.099 1.00 0.04 C HETATM 1190 CG ACE A 57 46.128 15.262 19.815 1.00 -0.00 C HETATM 1191 CD1 ACE A 57 46.075 15.838 18.553 1.00 -0.02 C HETATM 1192 CE1 ACE A 57 45.230 16.898 18.287 1.00 0.01 C HETATM 1193 CZ ACE A 57 44.426 17.409 19.286 1.00 0.17 C HETATM 1194 CE2 ACE A 57 44.453 16.847 20.544 1.00 0.01 C HETATM 1195 CD2 ACE A 57 45.303 15.787 20.806 1.00 -0.02 C HETATM 1196 H44 ACE A 57 45.327 15.357 21.801 1.00 0.07 H HETATM 1197 H46 ACE A 57 43.810 17.234 21.326 1.00 0.07 H HETATM 1198 OH ACE A 57 43.604 18.384 19.000 1.00 -0.20 O HETATM 1199 P ACE A 57 43.801 19.941 19.358 1.00 0.13 P HETATM 1200 O1P ACE A 57 44.259 20.717 18.108 1.00 -0.67 O HETATM 1201 O2P ACE A 57 42.483 20.450 19.782 1.00 -0.67 O HETATM 1202 O3P ACE A 57 44.874 20.158 20.436 1.00 -0.67 O HETATM 1203 H45 ACE A 57 45.198 17.329 17.293 1.00 0.07 H HETATM 1204 H43 ACE A 57 46.707 15.449 17.763 1.00 0.07 H HETATM 1205 H41 ACE A 57 46.718 13.614 21.026 1.00 0.06 H HETATM 1206 H42 ACE A 57 46.981 13.391 19.263 1.00 0.06 H HETATM 1207 H40 ACE A 57 48.575 15.334 20.991 1.00 0.08 H HETATM 1208 H39 ACE A 57 49.045 14.368 18.201 1.00 0.19 H HETATM 1209 CB ACE A 57 51.671 16.392 17.466 1.00 -0.00 C HETATM 1210 CG1 ACE A 57 52.101 16.452 16.001 1.00 -0.05 C HETATM 1211 CD1 ACE A 57 53.574 16.564 15.818 1.00 -0.06 C HETATM 1212 H36 ACE A 57 53.808 16.602 14.744 1.00 0.02 H HETATM 1213 H37 ACE A 57 54.067 15.691 16.270 1.00 0.02 H HETATM 1214 H38 ACE A 57 53.935 17.482 16.305 1.00 0.02 H HETATM 1215 H31 ACE A 57 51.625 17.327 15.534 1.00 0.03 H HETATM 1216 H32 ACE A 57 51.757 15.536 15.499 1.00 0.03 H HETATM 1217 CG2 ACE A 57 52.097 15.069 18.109 1.00 -0.06 C HETATM 1218 H33 ACE A 57 51.776 15.052 19.161 1.00 0.02 H HETATM 1219 H34 ACE A 57 53.192 14.972 18.058 1.00 0.02 H HETATM 1220 H35 ACE A 57 51.630 14.232 17.570 1.00 0.02 H HETATM 1221 H30 ACE A 57 52.152 17.217 18.012 1.00 0.03 H HETATM 1222 H29 ACE A 57 49.716 15.903 16.788 1.00 0.08 H HETATM 1223 H28 ACE A 57 50.381 18.683 17.576 1.00 0.19 H HETATM 1224 CB ACE A 57 47.897 20.386 17.438 1.00 0.08 C HETATM 1225 CG ACE A 57 47.727 21.872 17.260 1.00 0.18 C HETATM 1226 OD1 ACE A 57 48.643 22.554 16.813 1.00 -0.40 O HETATM 1227 ND2 ACE A 57 46.555 22.376 17.590 1.00 -0.30 N HETATM 1228 H26 ACE A 57 46.387 23.357 17.492 1.00 0.18 H HETATM 1229 H27 ACE A 57 45.834 21.777 17.938 1.00 0.18 H HETATM 1230 H24 ACE A 57 48.539 20.206 18.313 1.00 0.06 H HETATM 1231 H25 ACE A 57 46.908 19.936 17.610 1.00 0.06 H HETATM 1232 H23 ACE A 57 49.504 20.198 16.027 1.00 0.08 H HETATM 1233 H22 ACE A 57 46.734 20.195 15.179 1.00 0.19 H HETATM 1234 CB ACE A 57 46.393 18.425 12.582 1.00 -0.00 C HETATM 1235 CG ACE A 57 45.233 18.492 11.617 1.00 0.00 C HETATM 1236 CD ACE A 57 44.096 17.581 12.022 1.00 0.04 C HETATM 1237 OE1 ACE A 57 43.925 16.524 11.382 1.00 -0.57 O HETATM 1238 OE2 ACE A 57 43.382 17.920 12.990 1.00 -0.57 O HETATM 1239 H20 ACE A 57 45.586 18.195 10.618 1.00 0.04 H HETATM 1240 H21 ACE A 57 44.862 19.527 11.582 1.00 0.04 H HETATM 1241 H18 ACE A 57 46.011 18.128 13.570 1.00 0.03 H HETATM 1242 H19 ACE A 57 47.106 17.668 12.222 1.00 0.03 H HETATM 1243 H17 ACE A 57 46.392 20.533 12.984 1.00 0.08 H HETATM 1244 H16 ACE A 57 47.925 19.444 10.769 1.00 0.19 H HETATM 1245 CB ACE A 57 50.336 21.810 10.182 1.00 -0.00 C HETATM 1246 CG ACE A 57 51.002 20.556 10.717 1.00 0.00 C HETATM 1247 CD ACE A 57 52.503 20.728 10.923 1.00 0.04 C HETATM 1248 OE1 ACE A 57 53.270 20.647 9.935 1.00 -0.57 O HETATM 1249 OE2 ACE A 57 52.910 20.954 12.081 1.00 -0.57 O HETATM 1250 H14 ACE A 57 50.837 19.737 10.001 1.00 0.04 H HETATM 1251 H15 ACE A 57 50.542 20.298 11.682 1.00 0.04 H HETATM 1252 H12 ACE A 57 50.511 22.625 10.899 1.00 0.03 H HETATM 1253 H13 ACE A 57 50.802 22.063 9.219 1.00 0.03 H HETATM 1254 H11 ACE A 57 48.642 20.843 9.273 1.00 0.08 H HETATM 1255 H10 ACE A 57 48.891 23.686 9.243 1.00 0.19 H HETATM 1256 CB ACE A 57 45.870 25.121 9.523 1.00 -0.00 C HETATM 1257 CG ACE A 57 46.749 26.198 10.125 1.00 0.00 C HETATM 1258 CD ACE A 57 45.938 27.290 10.789 1.00 0.04 C HETATM 1259 OE1 ACE A 57 45.096 26.961 11.651 1.00 -0.57 O HETATM 1260 OE2 ACE A 57 46.131 28.475 10.437 1.00 -0.57 O HETATM 1261 H8 ACE A 57 47.359 26.645 9.326 1.00 0.04 H HETATM 1262 H9 ACE A 57 47.408 25.739 10.877 1.00 0.04 H HETATM 1263 H6 ACE A 57 45.556 24.440 10.328 1.00 0.03 H HETATM 1264 H7 ACE A 57 44.984 25.603 9.084 1.00 0.03 H HETATM 1265 H5 ACE A 57 47.446 24.845 8.092 1.00 0.08 H HETATM 1266 H4 ACE A 57 44.736 24.488 7.358 1.00 0.19 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1077 1078 1079 1083 CONECT 1078 1077 CONECT 1079 1077 1080 1081 1082 CONECT 1080 1079 CONECT 1081 1079 CONECT 1082 1079 CONECT 1083 1077 1084 1266 CONECT 1084 1083 1085 1256 1265 CONECT 1085 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 1088 1255 CONECT 1088 1087 1089 1245 1254 CONECT 1089 1088 1090 1091 CONECT 1090 1089 CONECT 1091 1089 1092 1244 CONECT 1092 1091 1093 1234 1243 CONECT 1093 1092 1094 1095 CONECT 1094 1093 CONECT 1095 1093 1096 1233 CONECT 1096 1095 1097 1224 1232 CONECT 1097 1096 1098 1099 CONECT 1098 1097 CONECT 1099 1097 1100 1223 CONECT 1100 1099 1101 1209 1222 CONECT 1101 1100 1102 1103 CONECT 1102 1101 CONECT 1103 1101 1104 1208 CONECT 1104 1103 1105 1189 1207 CONECT 1105 1104 1106 1107 CONECT 1106 1105 CONECT 1107 1105 1108 1188 CONECT 1108 1107 1109 1182 1187 CONECT 1109 1108 1110 1111 CONECT 1110 1109 CONECT 1111 1109 1112 1181 CONECT 1112 1111 1113 1170 1180 CONECT 1113 1112 1114 1115 CONECT 1114 1113 CONECT 1115 1113 1116 1162 CONECT 1116 1115 1117 1160 1169 CONECT 1117 1116 1118 1119 CONECT 1118 1117 CONECT 1119 1117 1120 1159 CONECT 1120 1119 1121 1147 1158 CONECT 1121 1120 1122 1123 CONECT 1122 1121 CONECT 1123 1121 1124 1146 CONECT 1124 1123 1125 1139 1145 CONECT 1125 1124 1126 1127 CONECT 1126 1125 CONECT 1127 1125 1128 1138 CONECT 1128 1127 1129 1132 1137 CONECT 1129 1128 1130 1131 CONECT 1130 1129 CONECT 1131 1129 CONECT 1132 1128 1133 1135 1136 CONECT 1133 1132 1134 CONECT 1134 1133 CONECT 1135 1132 CONECT 1136 1132 CONECT 1137 1128 CONECT 1138 1127 CONECT 1139 1124 1140 1143 1144 CONECT 1140 1139 1141 1142 CONECT 1141 1140 CONECT 1142 1140 CONECT 1143 1139 CONECT 1144 1139 CONECT 1145 1124 CONECT 1146 1123 CONECT 1147 1120 1148 1156 1157 CONECT 1148 1147 1149 1152 CONECT 1149 1148 1150 CONECT 1150 1149 1151 1155 CONECT 1151 1150 1152 1154 CONECT 1152 1148 1151 1153 CONECT 1153 1152 CONECT 1154 1151 CONECT 1155 1150 CONECT 1156 1147 CONECT 1157 1147 CONECT 1158 1120 CONECT 1159 1119 CONECT 1160 1116 1161 1167 1168 CONECT 1161 1160 1162 1165 1166 CONECT 1162 1115 1161 1163 1164 CONECT 1163 1162 CONECT 1164 1162 CONECT 1165 1161 CONECT 1166 1161 CONECT 1167 1160 CONECT 1168 1160 CONECT 1169 1116 CONECT 1170 1112 1171 1175 1179 CONECT 1171 1170 1172 1173 1174 CONECT 1172 1171 CONECT 1173 1171 CONECT 1174 1171 CONECT 1175 1170 1176 1177 1178 CONECT 1176 1175 CONECT 1177 1175 CONECT 1178 1175 CONECT 1179 1170 CONECT 1180 1112 CONECT 1181 1111 CONECT 1182 1108 1183 1185 1186 CONECT 1183 1182 1184 CONECT 1184 1183 CONECT 1185 1182 CONECT 1186 1182 CONECT 1187 1108 CONECT 1188 1107 CONECT 1189 1104 1190 1205 1206 CONECT 1190 1189 1191 1195 CONECT 1191 1190 1192 1204 CONECT 1192 1191 1193 1203 CONECT 1193 1192 1194 1198 CONECT 1194 1193 1195 1197 CONECT 1195 1190 1194 1196 CONECT 1196 1195 CONECT 1197 1194 CONECT 1198 1193 1199 CONECT 1199 1198 1200 1201 1202 CONECT 1200 1199 CONECT 1201 1199 CONECT 1202 1199 CONECT 1203 1192 CONECT 1204 1191 CONECT 1205 1189 CONECT 1206 1189 CONECT 1207 1104 CONECT 1208 1103 CONECT 1209 1100 1210 1217 1221 CONECT 1210 1209 1211 1215 1216 CONECT 1211 1210 1212 1213 1214 CONECT 1212 1211 CONECT 1213 1211 CONECT 1214 1211 CONECT 1215 1210 CONECT 1216 1210 CONECT 1217 1209 1218 1219 1220 CONECT 1218 1217 CONECT 1219 1217 CONECT 1220 1217 CONECT 1221 1209 CONECT 1222 1100 CONECT 1223 1099 CONECT 1224 1096 1225 1230 1231 CONECT 1225 1224 1226 1227 CONECT 1226 1225 CONECT 1227 1225 1228 1229 CONECT 1228 1227 CONECT 1229 1227 CONECT 1230 1224 CONECT 1231 1224 CONECT 1232 1096 CONECT 1233 1095 CONECT 1234 1092 1235 1241 1242 CONECT 1235 1234 1236 1239 1240 CONECT 1236 1235 1237 1238 CONECT 1237 1236 CONECT 1238 1236 CONECT 1239 1235 CONECT 1240 1235 CONECT 1241 1234 CONECT 1242 1234 CONECT 1243 1092 CONECT 1244 1091 CONECT 1245 1088 1246 1252 1253 CONECT 1246 1245 1247 1250 1251 CONECT 1247 1246 1248 1249 CONECT 1248 1247 CONECT 1249 1247 CONECT 1250 1246 CONECT 1251 1246 CONECT 1252 1245 CONECT 1253 1245 CONECT 1254 1088 CONECT 1255 1087 CONECT 1256 1084 1257 1263 1264 CONECT 1257 1256 1258 1261 1262 CONECT 1258 1257 1259 1260 CONECT 1259 1258 CONECT 1260 1258 CONECT 1261 1257 CONECT 1262 1257 CONECT 1263 1256 CONECT 1264 1256 CONECT 1265 1084 CONECT 1266 1083 MASTER 0 0 0 0 0 0 0 0 1265 1 194 8 END
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14-mer
5zoo
RCSB PDB
PDBbind
14-mer
6axk
RCSB PDB
PDBbind
14-mer
6axl
RCSB PDB
PDBbind
14-mer
6b27
RCSB PDB
PDBbind
14-mer
6co4
RCSB PDB
PDBbind
14-mer
6qcg
RCSB PDB
PDBbind
14-mer
6qc0
RCSB PDB
PDBbind
14-mer
6o3w
RCSB PDB
PDBbind
14-mer
6o21
RCSB PDB
PDBbind
14-mer
6nk1
RCSB PDB
PDBbind
14-mer
6fzp
RCSB PDB
PDBbind
14-mer
6fzj
RCSB PDB
PDBbind
14-mer
6fzf
RCSB PDB
PDBbind
14-mer
6d3x
RCSB PDB
PDBbind
14-mer
6bvh
RCSB PDB
PDBbind
14-mer
6bcr
RCSB PDB
PDBbind
14-mer
5zk7
RCSB PDB
PDBbind
14-mer
5zjy
RCSB PDB
PDBbind
14-mer
5y21
RCSB PDB
PDBbind
14-mer
5xvw
RCSB PDB
PDBbind
14-mer
5vk0
RCSB PDB
PDBbind
14-mer
5ok6
RCSB PDB
PDBbind
14-mer
6bd1
RCSB PDB
PDBbind
14-mer
Entry Information
PDB ID
6pxc
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
N-Terminal SH2 domain of the p120RasGAP
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=0.335uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Plos One Vol. 14: pp. e0226113-e0226113
Ligand Properties
Formula
C
6
2
H
9
1
N
1
5
O
2
9
P
Molecular Weight
1541.440
Exact Mass
1540.580
No. of atoms
198
No. of bonds
200
Polar Surface Area
722.65
LOGP Value
-0.50 (
Computed with XLOGP3
)
-2.77 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 29
No. of Rotatable Bonds: 55
No. of Nitrogen and Oxygen Atoms: 44
No. of Rings: 3
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(=O)O)Cc1nc[nH]c1)C(C)C)CO)Cc1ccc(cc1)OP(O)(O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C)CCC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)N)C
InChI String
InChI=1S/C62H92N15O29P/c1-6-29(4)50(76-57(96)39(22-44(63)81)69-53(92)36(15-18-47(86)87)68-52(91)35(14-17-46(84)85)67-51(90)34(66-30(5)80)13-16-45(82)83)60(99)72-37(20-31-9-11-33(12-10-31)106-107(103,104)105)54(93)73-41(25-78)58(97)75-49(28(2)3)61(100)77-19-7-8-43(77)59(98)71-38(21-32-24-64-27-65-32)55(94)70-40(23-48(88)89)56(95)74-42(26-79)62(101)102/h9-12,24,27-29,34-43,49-50,78-79,103-105,107H,6-8,13-23,25-26H2,1-5H3,(H2,63,81)(H,64,65)(H,66,80)(H,67,90)(H,68,91)(H,69,92)(H,70,94)(H,71,98)(H,72,99)(H,73,93)(H,74,95)(H,75,97)(H,76,96)(H,82,83)(H,84,85)(H,86,87)(H,88,89)(H,101,102)/t29-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,49-,50-/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):
Q9NRY4
P20936
Entrez Gene ID
NCBI Entrez Gene ID:
2909
5921
ASD
Information of known allosteric effects of PDB entries
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