Browse entries in the PDBbind-CN Database
HEADER 2PNX_COMPLEX COMPND 2PNX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 51 GLU PRO THR TYR CYS LEU CYS HIS GLN VAL SER TYR GLY SEQRES 2 A 51 GLU MET ILE GLY CYS ASP ASN PRO ASP CYS SER ILE GLU SEQRES 3 A 51 TRP PHE HIS PHE ALA CYS VAL GLY LEU THR THR LYS PRO SEQRES 4 A 51 ARG GLY LYS TRP PHE CYS PRO ARG CYS SER GLN GLU HET ZN A 1 1 HET ZN A 2 1 HET NON A 134 194 ATOM 1 N GLU A 195 59.479 43.149 6.417 1.00 32.57 N ATOM 2 CA GLU A 195 58.730 43.110 5.130 1.00 32.14 C ATOM 3 C GLU A 195 57.511 42.192 5.241 1.00 29.10 C ATOM 4 O GLU A 195 56.445 42.525 4.748 1.00 29.79 O ATOM 5 CB GLU A 195 59.645 42.634 3.994 1.00 34.45 C ATOM 6 CG GLU A 195 58.988 42.655 2.615 1.00 38.64 C ATOM 7 CD GLU A 195 58.598 44.059 2.157 1.00 40.99 C ATOM 8 OE1 GLU A 195 58.753 45.012 2.946 1.00 42.88 O ATOM 9 OE2 GLU A 195 58.131 44.209 1.008 1.00 42.57 O ATOM 10 HA GLU A 195 58.385 44.119 4.906 1.00 0.00 H ATOM 11 HB2 GLU A 195 60.522 43.281 3.966 1.00 0.00 H ATOM 12 HB3 GLU A 195 59.956 41.612 4.210 1.00 0.00 H ATOM 13 HG2 GLU A 195 59.687 42.236 1.891 1.00 0.00 H ATOM 14 HG3 GLU A 195 58.089 42.039 2.649 1.00 0.00 H ATOM 15 HN3 GLU A 195 59.801 42.190 6.659 1.00 0.00 H ATOM 16 HN2 GLU A 195 58.856 43.507 7.169 1.00 0.00 H ATOM 17 HN1 GLU A 195 60.302 43.778 6.319 1.00 0.00 H ATOM 18 N PRO A 196 57.661 41.019 5.884 1.00 26.90 N ATOM 19 CA PRO A 196 56.505 40.123 6.010 1.00 23.62 C ATOM 20 C PRO A 196 55.406 40.782 6.853 1.00 20.50 C ATOM 21 O PRO A 196 55.700 41.578 7.743 1.00 19.60 O ATOM 22 CB PRO A 196 57.093 38.895 6.700 1.00 25.18 C ATOM 23 CG PRO A 196 58.208 39.472 7.520 1.00 26.61 C ATOM 24 CD PRO A 196 58.843 40.428 6.535 1.00 27.19 C ATOM 25 HA PRO A 196 56.031 39.879 5.059 1.00 0.00 H ATOM 26 HD3 PRO A 196 59.437 41.187 7.044 1.00 0.00 H ATOM 27 HD2 PRO A 196 59.470 39.900 5.816 1.00 0.00 H ATOM 28 HG3 PRO A 196 58.910 38.701 7.836 1.00 0.00 H ATOM 29 HG2 PRO A 196 57.828 39.997 8.396 1.00 0.00 H ATOM 30 HB2 PRO A 196 56.351 38.408 7.333 1.00 0.00 H ATOM 31 HB3 PRO A 196 57.472 38.179 5.971 1.00 0.00 H ATOM 32 N THR A 197 54.147 40.450 6.585 1.00 16.83 N ATOM 33 CA THR A 197 53.043 41.045 7.348 1.00 14.49 C ATOM 34 C THR A 197 52.320 39.951 8.128 1.00 13.98 C ATOM 35 O THR A 197 52.443 38.767 7.820 1.00 13.98 O ATOM 36 CB THR A 197 52.050 41.787 6.424 1.00 13.82 C ATOM 37 OG1 THR A 197 51.538 40.892 5.435 1.00 12.59 O ATOM 38 CG2 THR A 197 52.747 42.946 5.726 1.00 13.40 C ATOM 39 HA THR A 197 53.458 41.778 8.040 1.00 0.00 H ATOM 40 HB THR A 197 51.231 42.168 7.035 1.00 0.00 H ATOM 41 HG1 THR A 197 52.287 40.539 4.892 1.00 0.00 H ATOM 42 HG23 THR A 197 53.141 43.635 6.473 1.00 0.00 H ATOM 43 HG21 THR A 197 53.565 42.562 5.116 1.00 0.00 H ATOM 44 HG22 THR A 197 52.032 43.468 5.090 1.00 0.00 H ATOM 45 H THR A 197 53.943 39.764 5.830 1.00 0.00 H ATOM 46 N TYR A 198 51.566 40.350 9.145 1.00 12.67 N ATOM 47 CA TYR A 198 50.852 39.379 9.971 1.00 12.68 C ATOM 48 C TYR A 198 49.541 39.986 10.448 1.00 11.24 C ATOM 49 O TYR A 198 49.149 41.074 10.027 1.00 11.41 O ATOM 50 CB TYR A 198 51.683 39.022 11.210 1.00 14.75 C ATOM 51 CG TYR A 198 53.067 38.483 10.928 1.00 18.56 C ATOM 52 CD1 TYR A 198 54.143 39.340 10.705 1.00 20.67 C ATOM 53 CD2 TYR A 198 53.296 37.112 10.881 1.00 20.47 C ATOM 54 CE1 TYR A 198 55.423 38.838 10.442 1.00 23.96 C ATOM 55 CE2 TYR A 198 54.564 36.598 10.619 1.00 24.09 C ATOM 56 CZ TYR A 198 55.623 37.467 10.400 1.00 24.68 C ATOM 57 OH TYR A 198 56.877 36.962 10.143 1.00 29.03 O ATOM 58 HA TYR A 198 50.671 38.486 9.373 1.00 0.00 H ATOM 59 HB3 TYR A 198 51.137 38.268 11.776 1.00 0.00 H ATOM 60 HB2 TYR A 198 51.789 39.922 11.815 1.00 0.00 H ATOM 61 HD2 TYR A 198 52.467 36.426 11.053 1.00 0.00 H ATOM 62 HE2 TYR A 198 54.723 35.520 10.586 1.00 0.00 H ATOM 63 HE1 TYR A 198 56.256 39.520 10.272 1.00 0.00 H ATOM 64 HD1 TYR A 198 53.985 40.418 10.736 1.00 0.00 H ATOM 65 HH TYR A 198 57.512 37.710 10.011 1.00 0.00 H ATOM 66 H TYR A 198 51.483 41.365 9.356 1.00 0.00 H ATOM 67 N CYS A 199 48.870 39.236 11.318 1.00 10.18 N ATOM 68 CA CYS A 199 47.639 39.668 11.977 1.00 10.20 C ATOM 69 C CYS A 199 46.464 39.862 11.015 1.00 10.41 C ATOM 70 O CYS A 199 46.569 39.647 9.805 1.00 9.85 O ATOM 71 CB CYS A 199 47.922 40.974 12.730 1.00 10.51 C ATOM 72 SG CYS A 199 46.780 41.355 14.059 1.00 11.97 S ATOM 73 HA CYS A 199 47.338 38.875 12.661 1.00 0.00 H ATOM 74 HB2 CYS A 199 47.887 41.792 12.011 1.00 0.00 H ATOM 75 HB3 CYS A 199 48.924 40.908 13.155 1.00 0.00 H ATOM 76 HG CYS A 199 47.145 42.547 14.650 1.00 0.00 H ATOM 77 H CYS A 199 49.242 38.291 11.541 1.00 0.00 H ATOM 78 N LEU A 200 45.337 40.269 11.595 1.00 8.94 N ATOM 79 CA LEU A 200 44.110 40.527 10.850 1.00 10.19 C ATOM 80 C LEU A 200 44.222 41.910 10.188 1.00 9.94 C ATOM 81 O LEU A 200 43.439 42.242 9.297 1.00 10.66 O ATOM 82 CB LEU A 200 42.902 40.498 11.798 1.00 10.50 C ATOM 83 CG LEU A 200 42.529 39.141 12.412 1.00 12.35 C ATOM 84 CD1 LEU A 200 41.439 39.318 13.467 1.00 14.05 C ATOM 85 CD2 LEU A 200 42.052 38.205 11.312 1.00 12.43 C ATOM 86 HA LEU A 200 43.971 39.759 10.089 1.00 0.00 H ATOM 87 HB2 LEU A 200 43.111 41.184 12.619 1.00 0.00 H ATOM 88 HB3 LEU A 200 42.037 40.855 11.239 1.00 0.00 H ATOM 89 HG LEU A 200 43.406 38.711 12.895 1.00 0.00 H ATOM 90 HD21 LEU A 200 41.179 38.637 10.822 1.00 0.00 H ATOM 91 HD22 LEU A 200 42.849 38.069 10.582 1.00 0.00 H ATOM 92 HD23 LEU A 200 41.787 37.241 11.746 1.00 0.00 H ATOM 93 HD11 LEU A 200 41.802 39.978 14.255 1.00 0.00 H ATOM 94 HD12 LEU A 200 40.554 39.755 13.004 1.00 0.00 H ATOM 95 HD13 LEU A 200 41.186 38.347 13.893 1.00 0.00 H ATOM 96 H LEU A 200 45.331 40.409 12.625 1.00 0.00 H ATOM 97 N CYS A 201 45.200 42.702 10.623 1.00 9.46 N ATOM 98 CA CYS A 201 45.409 44.056 10.076 1.00 8.57 C ATOM 99 C CYS A 201 46.409 43.997 8.914 1.00 9.20 C ATOM 100 O CYS A 201 46.590 44.981 8.203 1.00 8.43 O ATOM 101 CB CYS A 201 45.943 44.997 11.157 1.00 9.07 C ATOM 102 SG CYS A 201 47.565 44.525 11.778 1.00 8.29 S ATOM 103 HA CYS A 201 44.452 44.436 9.719 1.00 0.00 H ATOM 104 HB2 CYS A 201 45.241 45.000 11.991 1.00 0.00 H ATOM 105 HB3 CYS A 201 46.012 46.001 10.738 1.00 0.00 H ATOM 106 HG CYS A 201 47.966 45.425 12.744 1.00 0.00 H ATOM 107 H CYS A 201 45.835 42.356 11.370 1.00 0.00 H ATOM 108 N HIS A 202 47.070 42.855 8.749 1.00 9.87 N ATOM 109 CA HIS A 202 48.027 42.643 7.642 1.00 10.16 C ATOM 110 C HIS A 202 49.154 43.686 7.627 1.00 10.87 C ATOM 111 O HIS A 202 49.545 44.177 6.556 1.00 9.53 O ATOM 112 CB HIS A 202 47.267 42.669 6.318 1.00 11.28 C ATOM 113 CG HIS A 202 46.181 41.644 6.242 1.00 11.13 C ATOM 114 ND1 HIS A 202 46.428 40.322 5.939 1.00 11.64 N ATOM 115 CD2 HIS A 202 44.856 41.729 6.506 1.00 11.79 C ATOM 116 CE1 HIS A 202 45.302 39.637 6.022 1.00 12.16 C ATOM 117 NE2 HIS A 202 44.333 40.466 6.364 1.00 11.54 N ATOM 118 HA HIS A 202 48.502 41.673 7.790 1.00 0.00 H ATOM 119 HB2 HIS A 202 46.822 43.656 6.193 1.00 0.00 H ATOM 120 HB3 HIS A 202 47.974 42.486 5.509 1.00 0.00 H ATOM 121 HD2 HIS A 202 44.307 42.630 6.780 1.00 0.00 H ATOM 122 HE1 HIS A 202 45.191 38.568 5.839 1.00 0.00 H ATOM 123 H HIS A 202 46.908 42.081 9.425 1.00 0.00 H ATOM 124 N GLN A 203 49.693 44.012 8.797 1.00 9.80 N ATOM 125 CA GLN A 203 50.789 44.982 8.865 1.00 10.90 C ATOM 126 C GLN A 203 52.041 44.259 9.352 1.00 11.43 C ATOM 127 O GLN A 203 51.971 43.117 9.813 1.00 10.80 O ATOM 128 CB GLN A 203 50.439 46.129 9.817 1.00 11.63 C ATOM 129 CG GLN A 203 49.203 46.917 9.405 1.00 10.64 C ATOM 130 CD GLN A 203 49.313 47.486 8.004 1.00 13.61 C ATOM 131 OE1 GLN A 203 50.254 48.216 7.689 1.00 12.13 O ATOM 132 NE2 GLN A 203 48.346 47.157 7.153 1.00 11.04 N ATOM 133 HA GLN A 203 50.961 45.409 7.877 1.00 0.00 H ATOM 134 HB2 GLN A 203 50.265 45.711 10.809 1.00 0.00 H ATOM 135 HB3 GLN A 203 51.286 46.814 9.856 1.00 0.00 H ATOM 136 HG2 GLN A 203 48.337 46.256 9.446 1.00 0.00 H ATOM 137 HG3 GLN A 203 49.064 47.740 10.106 1.00 0.00 H ATOM 138 HE22 GLN A 203 47.570 46.537 7.462 1.00 0.00 H ATOM 139 HE21 GLN A 203 48.366 47.519 6.178 1.00 0.00 H ATOM 140 H GLN A 203 49.334 43.576 9.670 1.00 0.00 H ATOM 141 N VAL A 204 53.185 44.926 9.243 1.00 11.43 N ATOM 142 CA VAL A 204 54.451 44.343 9.673 1.00 12.84 C ATOM 143 C VAL A 204 54.404 44.121 11.178 1.00 13.71 C ATOM 144 O VAL A 204 53.557 44.678 11.881 1.00 14.29 O ATOM 145 CB VAL A 204 55.646 45.267 9.344 1.00 14.13 C ATOM 146 CG1 VAL A 204 55.760 45.457 7.839 1.00 13.33 C ATOM 147 CG2 VAL A 204 55.477 46.610 10.049 1.00 14.32 C ATOM 148 HA VAL A 204 54.590 43.402 9.141 1.00 0.00 H ATOM 149 HB VAL A 204 56.566 44.804 9.702 1.00 0.00 H ATOM 150 HG11 VAL A 204 55.913 44.489 7.362 1.00 0.00 H ATOM 151 HG12 VAL A 204 54.843 45.908 7.461 1.00 0.00 H ATOM 152 HG13 VAL A 204 56.605 46.110 7.619 1.00 0.00 H ATOM 153 HG21 VAL A 204 54.554 47.082 9.712 1.00 0.00 H ATOM 154 HG22 VAL A 204 55.432 46.450 11.126 1.00 0.00 H ATOM 155 HG23 VAL A 204 56.324 47.253 9.811 1.00 0.00 H ATOM 156 H VAL A 204 53.178 45.886 8.842 1.00 0.00 H ATOM 157 N SER A 205 55.320 43.299 11.669 1.00 14.99 N ATOM 158 CA SER A 205 55.391 43.012 13.091 1.00 15.79 C ATOM 159 C SER A 205 55.802 44.289 13.825 1.00 15.81 C ATOM 160 O SER A 205 56.570 45.095 13.303 1.00 15.40 O ATOM 161 CB SER A 205 56.426 41.915 13.350 1.00 16.44 C ATOM 162 OG SER A 205 56.581 41.685 14.738 1.00 20.70 O ATOM 163 HA SER A 205 54.420 42.670 13.448 1.00 0.00 H ATOM 164 HB2 SER A 205 57.384 42.221 12.929 1.00 0.00 H ATOM 165 HB3 SER A 205 56.098 40.993 12.870 1.00 0.00 H ATOM 166 HG SER A 205 57.254 40.973 14.880 1.00 0.00 H ATOM 167 H SER A 205 56.001 42.851 11.024 1.00 0.00 H ATOM 168 N TYR A 206 55.258 44.475 15.023 1.00 15.24 N ATOM 169 CA TYR A 206 55.590 45.623 15.872 1.00 14.83 C ATOM 170 C TYR A 206 55.025 45.346 17.263 1.00 15.31 C ATOM 171 O TYR A 206 53.999 44.677 17.405 1.00 14.30 O ATOM 172 CB TYR A 206 55.029 46.939 15.292 1.00 14.68 C ATOM 173 CG TYR A 206 53.521 47.092 15.300 1.00 13.10 C ATOM 174 CD1 TYR A 206 52.830 47.367 16.481 1.00 12.96 C ATOM 175 CD2 TYR A 206 52.786 46.979 14.119 1.00 13.54 C ATOM 176 CE1 TYR A 206 51.446 47.524 16.487 1.00 13.22 C ATOM 177 CE2 TYR A 206 51.400 47.133 14.112 1.00 13.51 C ATOM 178 CZ TYR A 206 50.737 47.406 15.299 1.00 12.89 C ATOM 179 OH TYR A 206 49.370 47.558 15.302 1.00 13.69 O ATOM 180 HA TYR A 206 56.672 45.749 15.921 1.00 0.00 H ATOM 181 HB3 TYR A 206 55.365 47.015 14.258 1.00 0.00 H ATOM 182 HB2 TYR A 206 55.449 47.762 15.870 1.00 0.00 H ATOM 183 HD2 TYR A 206 53.305 46.766 13.184 1.00 0.00 H ATOM 184 HE2 TYR A 206 50.842 47.039 13.180 1.00 0.00 H ATOM 185 HE1 TYR A 206 50.923 47.738 17.419 1.00 0.00 H ATOM 186 HD1 TYR A 206 53.383 47.461 17.415 1.00 0.00 H ATOM 187 HH TYR A 206 49.062 47.747 16.224 1.00 0.00 H ATOM 188 H TYR A 206 54.569 43.778 15.372 1.00 0.00 H ATOM 189 N GLY A 207 55.712 45.844 18.288 1.00 14.99 N ATOM 190 CA GLY A 207 55.261 45.626 19.650 1.00 13.66 C ATOM 191 C GLY A 207 55.243 44.149 20.000 1.00 13.32 C ATOM 192 O GLY A 207 55.947 43.353 19.384 1.00 12.10 O ATOM 193 HA3 GLY A 207 54.254 46.028 19.759 1.00 0.00 H ATOM 194 HA2 GLY A 207 55.934 46.144 20.333 1.00 0.00 H ATOM 195 H GLY A 207 56.578 46.393 18.112 1.00 0.00 H ATOM 196 N GLU A 208 54.441 43.783 20.995 1.00 12.99 N ATOM 197 CA GLU A 208 54.330 42.386 21.418 1.00 13.33 C ATOM 198 C GLU A 208 53.369 41.659 20.480 1.00 12.90 C ATOM 199 O GLU A 208 52.314 42.189 20.127 1.00 11.72 O ATOM 200 CB GLU A 208 53.803 42.299 22.849 1.00 15.22 C ATOM 201 CG GLU A 208 54.846 42.565 23.905 1.00 20.93 C ATOM 202 CD GLU A 208 54.316 42.335 25.304 1.00 22.93 C ATOM 203 OE1 GLU A 208 53.545 43.186 25.798 1.00 24.85 O ATOM 204 OE2 GLU A 208 54.664 41.296 25.900 1.00 25.49 O ATOM 205 HA GLU A 208 55.316 41.924 21.381 1.00 0.00 H ATOM 206 HB2 GLU A 208 53.003 43.031 22.965 1.00 0.00 H ATOM 207 HB3 GLU A 208 53.403 41.297 23.007 1.00 0.00 H ATOM 208 HG2 GLU A 208 55.693 41.900 23.737 1.00 0.00 H ATOM 209 HG3 GLU A 208 55.176 43.601 23.820 1.00 0.00 H ATOM 210 H GLU A 208 53.878 44.507 21.485 1.00 0.00 H ATOM 211 N MET A 209 53.743 40.442 20.093 1.00 11.88 N ATOM 212 CA MET A 209 52.929 39.616 19.190 1.00 11.71 C ATOM 213 C MET A 209 52.566 38.322 19.920 1.00 11.03 C ATOM 214 O MET A 209 53.350 37.814 20.717 1.00 11.03 O ATOM 215 CB MET A 209 53.728 39.247 17.939 1.00 12.78 C ATOM 216 CG MET A 209 54.397 40.405 17.234 1.00 17.09 C ATOM 217 SD MET A 209 53.234 41.441 16.373 1.00 20.25 S ATOM 218 CE MET A 209 52.891 40.434 14.911 1.00 17.86 C ATOM 219 HA MET A 209 52.039 40.174 18.899 1.00 0.00 H ATOM 220 HB2 MET A 209 54.502 38.538 18.231 1.00 0.00 H ATOM 221 HB3 MET A 209 53.048 38.770 17.233 1.00 0.00 H ATOM 222 HG2 MET A 209 55.114 40.010 16.514 1.00 0.00 H ATOM 223 HG3 MET A 209 54.923 41.009 17.974 1.00 0.00 H ATOM 224 HE1 MET A 209 53.817 40.268 14.360 1.00 0.00 H ATOM 225 HE2 MET A 209 52.474 39.476 15.221 1.00 0.00 H ATOM 226 HE3 MET A 209 52.176 40.953 14.273 1.00 0.00 H ATOM 227 H MET A 209 54.645 40.061 20.443 1.00 0.00 H ATOM 228 N ILE A 210 51.385 37.785 19.633 1.00 9.98 N ATOM 229 CA ILE A 210 50.948 36.538 20.262 1.00 9.38 C ATOM 230 C ILE A 210 50.708 35.515 19.151 1.00 9.75 C ATOM 231 O ILE A 210 50.188 35.856 18.088 1.00 7.56 O ATOM 232 CB ILE A 210 49.656 36.747 21.091 1.00 9.39 C ATOM 233 CG1 ILE A 210 49.235 35.424 21.738 1.00 10.10 C ATOM 234 CG2 ILE A 210 48.548 37.317 20.211 1.00 9.26 C ATOM 235 CD1 ILE A 210 48.122 35.569 22.757 1.00 10.33 C ATOM 236 HA ILE A 210 51.716 36.185 20.951 1.00 0.00 H ATOM 237 HB ILE A 210 49.849 37.467 21.886 1.00 0.00 H ATOM 238 HG12 ILE A 210 48.896 34.749 20.952 1.00 0.00 H ATOM 239 HG13 ILE A 210 50.103 34.993 22.236 1.00 0.00 H ATOM 240 HD11 ILE A 210 48.448 36.232 23.558 1.00 0.00 H ATOM 241 HD12 ILE A 210 47.240 35.988 22.273 1.00 0.00 H ATOM 242 HD13 ILE A 210 47.880 34.590 23.171 1.00 0.00 H ATOM 243 HG21 ILE A 210 48.868 38.275 19.802 1.00 0.00 H ATOM 244 HG22 ILE A 210 48.340 36.624 19.396 1.00 0.00 H ATOM 245 HG23 ILE A 210 47.647 37.458 20.809 1.00 0.00 H ATOM 246 H ILE A 210 50.760 38.259 18.950 1.00 0.00 H ATOM 247 N GLY A 211 51.104 34.269 19.397 1.00 9.09 N ATOM 248 CA GLY A 211 50.930 33.227 18.399 1.00 9.34 C ATOM 249 C GLY A 211 49.704 32.356 18.611 1.00 9.98 C ATOM 250 O GLY A 211 49.389 31.976 19.740 1.00 10.51 O ATOM 251 HA3 GLY A 211 51.812 32.586 18.417 1.00 0.00 H ATOM 252 HA2 GLY A 211 50.847 33.701 17.421 1.00 0.00 H ATOM 253 H GLY A 211 51.542 34.039 20.312 1.00 0.00 H ATOM 254 N CYS A 212 49.006 32.040 17.523 1.00 9.59 N ATOM 255 CA CYS A 212 47.813 31.194 17.598 1.00 8.97 C ATOM 256 C CYS A 212 48.280 29.745 17.759 1.00 9.17 C ATOM 257 O CYS A 212 49.219 29.314 17.092 1.00 8.05 O ATOM 258 CB CYS A 212 46.980 31.340 16.326 1.00 9.87 C ATOM 259 SG CYS A 212 45.490 30.341 16.354 1.00 8.58 S ATOM 260 HA CYS A 212 47.190 31.490 18.442 1.00 0.00 H ATOM 261 HB2 CYS A 212 47.588 31.036 15.474 1.00 0.00 H ATOM 262 HB3 CYS A 212 46.696 32.386 16.213 1.00 0.00 H ATOM 263 HG CYS A 212 44.793 30.525 15.177 1.00 0.00 H ATOM 264 H CYS A 212 49.315 32.402 16.598 1.00 0.00 H ATOM 265 N ASP A 213 47.609 28.988 18.623 1.00 8.80 N ATOM 266 CA ASP A 213 48.028 27.614 18.873 1.00 10.17 C ATOM 267 C ASP A 213 47.392 26.590 17.938 1.00 10.42 C ATOM 268 O ASP A 213 47.501 25.384 18.166 1.00 10.26 O ATOM 269 CB ASP A 213 47.821 27.273 20.346 1.00 10.57 C ATOM 270 CG ASP A 213 48.931 27.839 21.208 1.00 11.78 C ATOM 271 OD1 ASP A 213 48.654 28.355 22.311 1.00 11.87 O ATOM 272 OD2 ASP A 213 50.097 27.766 20.762 1.00 11.52 O ATOM 273 HA ASP A 213 49.092 27.554 18.644 1.00 0.00 H ATOM 274 HB2 ASP A 213 46.869 27.689 20.676 1.00 0.00 H ATOM 275 HB3 ASP A 213 47.801 26.189 20.460 1.00 0.00 H ATOM 276 H ASP A 213 46.783 29.377 19.121 1.00 0.00 H ATOM 277 N ASN A 214 46.723 27.060 16.889 1.00 10.10 N ATOM 278 CA ASN A 214 46.189 26.137 15.890 1.00 10.08 C ATOM 279 C ASN A 214 47.304 26.078 14.844 1.00 10.51 C ATOM 280 O ASN A 214 47.575 27.065 14.166 1.00 9.66 O ATOM 281 CB ASN A 214 44.905 26.670 15.248 1.00 9.82 C ATOM 282 CG ASN A 214 44.494 25.863 14.030 1.00 11.69 C ATOM 283 OD1 ASN A 214 44.933 24.723 13.854 1.00 10.40 O ATOM 284 ND2 ASN A 214 43.646 26.444 13.185 1.00 9.63 N ATOM 285 HA ASN A 214 45.926 25.171 16.320 1.00 0.00 H ATOM 286 HB2 ASN A 214 44.102 26.629 15.984 1.00 0.00 H ATOM 287 HB3 ASN A 214 45.067 27.705 14.945 1.00 0.00 H ATOM 288 HD22 ASN A 214 43.302 27.407 13.374 1.00 0.00 H ATOM 289 HD21 ASN A 214 43.327 25.935 12.336 1.00 0.00 H ATOM 290 H ASN A 214 46.580 28.084 16.780 1.00 0.00 H ATOM 291 N PRO A 215 47.980 24.928 14.717 1.00 10.24 N ATOM 292 CA PRO A 215 49.063 24.838 13.733 1.00 10.97 C ATOM 293 C PRO A 215 48.634 25.092 12.291 1.00 11.24 C ATOM 294 O PRO A 215 49.473 25.372 11.437 1.00 12.38 O ATOM 295 CB PRO A 215 49.609 23.428 13.948 1.00 11.56 C ATOM 296 CG PRO A 215 48.405 22.668 14.381 1.00 11.69 C ATOM 297 CD PRO A 215 47.735 23.620 15.351 1.00 10.38 C ATOM 298 HA PRO A 215 49.808 25.620 13.883 1.00 0.00 H ATOM 299 HD3 PRO A 215 46.668 23.414 15.435 1.00 0.00 H ATOM 300 HD2 PRO A 215 48.193 23.566 16.339 1.00 0.00 H ATOM 301 HG3 PRO A 215 48.685 21.737 14.874 1.00 0.00 H ATOM 302 HG2 PRO A 215 47.754 22.448 13.535 1.00 0.00 H ATOM 303 HB2 PRO A 215 50.019 23.021 13.024 1.00 0.00 H ATOM 304 HB3 PRO A 215 50.378 23.418 14.720 1.00 0.00 H ATOM 305 N ASP A 216 47.332 25.007 12.029 1.00 10.24 N ATOM 306 CA ASP A 216 46.806 25.222 10.679 1.00 10.66 C ATOM 307 C ASP A 216 46.306 26.659 10.521 1.00 11.11 C ATOM 308 O ASP A 216 45.657 26.982 9.527 1.00 11.37 O ATOM 309 CB ASP A 216 45.656 24.253 10.382 1.00 11.25 C ATOM 310 CG ASP A 216 46.088 22.796 10.434 1.00 12.70 C ATOM 311 OD1 ASP A 216 47.289 22.525 10.236 1.00 13.43 O ATOM 312 OD2 ASP A 216 45.221 21.924 10.657 1.00 11.91 O ATOM 313 HA ASP A 216 47.617 25.041 9.974 1.00 0.00 H ATOM 314 HB2 ASP A 216 44.868 24.410 11.119 1.00 0.00 H ATOM 315 HB3 ASP A 216 45.268 24.467 9.386 1.00 0.00 H ATOM 316 H ASP A 216 46.672 24.783 12.801 1.00 0.00 H ATOM 317 N CYS A 217 46.607 27.518 11.489 1.00 10.17 N ATOM 318 CA CYS A 217 46.159 28.912 11.422 1.00 10.16 C ATOM 319 C CYS A 217 46.722 29.562 10.158 1.00 11.09 C ATOM 320 O CYS A 217 47.886 29.379 9.821 1.00 9.80 O ATOM 321 CB CYS A 217 46.632 29.694 12.646 1.00 9.55 C ATOM 322 SG CYS A 217 45.996 31.386 12.682 1.00 9.73 S ATOM 323 HA CYS A 217 45.069 28.927 11.400 1.00 0.00 H ATOM 324 HB2 CYS A 217 47.721 29.731 12.637 1.00 0.00 H ATOM 325 HB3 CYS A 217 46.295 29.175 13.543 1.00 0.00 H ATOM 326 HG CYS A 217 46.463 32.027 13.811 1.00 0.00 H ATOM 327 H CYS A 217 47.167 27.197 12.304 1.00 0.00 H ATOM 328 N SER A 218 45.880 30.339 9.483 1.00 11.88 N ATOM 329 CA SER A 218 46.260 31.019 8.249 1.00 13.47 C ATOM 330 C SER A 218 46.958 32.354 8.546 1.00 13.83 C ATOM 331 O SER A 218 47.422 33.016 7.619 1.00 14.28 O ATOM 332 CB SER A 218 45.015 31.275 7.392 1.00 14.85 C ATOM 333 OG SER A 218 44.045 32.022 8.113 1.00 15.55 O ATOM 334 HA SER A 218 46.956 30.377 7.709 1.00 0.00 H ATOM 335 HB2 SER A 218 44.582 30.319 7.097 1.00 0.00 H ATOM 336 HB3 SER A 218 45.304 31.832 6.501 1.00 0.00 H ATOM 337 HG SER A 218 43.253 32.173 7.539 1.00 0.00 H ATOM 338 H SER A 218 44.915 30.467 9.848 1.00 0.00 H ATOM 339 N ILE A 219 47.035 32.748 9.818 1.00 12.55 N ATOM 340 CA ILE A 219 47.677 34.030 10.173 1.00 12.26 C ATOM 341 C ILE A 219 48.882 33.790 11.094 1.00 11.36 C ATOM 342 O ILE A 219 49.923 34.426 10.927 1.00 10.83 O ATOM 343 CB ILE A 219 46.666 34.987 10.830 1.00 13.29 C ATOM 344 CG1 ILE A 219 45.518 35.240 9.842 1.00 17.07 C ATOM 345 CG2 ILE A 219 47.357 36.289 11.239 1.00 13.21 C ATOM 346 CD1 ILE A 219 44.761 36.531 10.049 1.00 18.57 C ATOM 347 HA ILE A 219 48.034 34.499 9.256 1.00 0.00 H ATOM 348 HB ILE A 219 46.258 34.541 11.737 1.00 0.00 H ATOM 349 HG12 ILE A 219 45.936 35.252 8.835 1.00 0.00 H ATOM 350 HG13 ILE A 219 44.810 34.416 9.930 1.00 0.00 H ATOM 351 HD11 ILE A 219 44.319 36.536 11.045 1.00 0.00 H ATOM 352 HD12 ILE A 219 45.447 37.373 9.950 1.00 0.00 H ATOM 353 HD13 ILE A 219 43.973 36.613 9.300 1.00 0.00 H ATOM 354 HG21 ILE A 219 48.153 36.068 11.950 1.00 0.00 H ATOM 355 HG22 ILE A 219 47.779 36.768 10.356 1.00 0.00 H ATOM 356 HG23 ILE A 219 46.629 36.955 11.702 1.00 0.00 H ATOM 357 H ILE A 219 46.639 32.146 10.568 1.00 0.00 H ATOM 358 N GLU A 220 48.716 32.903 12.074 1.00 10.81 N ATOM 359 CA GLU A 220 49.790 32.490 13.002 1.00 10.31 C ATOM 360 C GLU A 220 50.195 33.526 14.068 1.00 10.77 C ATOM 361 O GLU A 220 50.301 33.165 15.241 1.00 11.32 O ATOM 362 CB GLU A 220 51.028 32.060 12.211 1.00 12.76 C ATOM 363 CG GLU A 220 50.749 30.926 11.234 1.00 16.42 C ATOM 364 CD GLU A 220 52.001 30.423 10.546 1.00 20.90 C ATOM 365 OE1 GLU A 220 52.900 29.913 11.245 1.00 24.77 O ATOM 366 OE2 GLU A 220 52.087 30.538 9.308 1.00 25.22 O ATOM 367 HA GLU A 220 49.362 31.659 13.563 1.00 0.00 H ATOM 368 HB2 GLU A 220 51.397 32.919 11.650 1.00 0.00 H ATOM 369 HB3 GLU A 220 51.793 31.732 12.915 1.00 0.00 H ATOM 370 HG2 GLU A 220 50.295 30.099 11.780 1.00 0.00 H ATOM 371 HG3 GLU A 220 50.054 31.283 10.475 1.00 0.00 H ATOM 372 H GLU A 220 47.775 32.476 12.193 1.00 0.00 H ATOM 373 N TRP A 221 50.447 34.777 13.683 1.00 9.09 N ATOM 374 CA TRP A 221 50.874 35.797 14.670 1.00 9.78 C ATOM 375 C TRP A 221 49.996 37.049 14.593 1.00 9.59 C ATOM 376 O TRP A 221 49.604 37.475 13.513 1.00 8.39 O ATOM 377 CB TRP A 221 52.341 36.170 14.450 1.00 9.95 C ATOM 378 CG TRP A 221 53.276 35.058 14.806 1.00 11.05 C ATOM 379 CD1 TRP A 221 53.780 34.105 13.967 1.00 12.26 C ATOM 380 CD2 TRP A 221 53.759 34.739 16.115 1.00 11.84 C ATOM 381 NE1 TRP A 221 54.547 33.208 14.675 1.00 11.95 N ATOM 382 CE2 TRP A 221 54.551 33.573 15.995 1.00 12.93 C ATOM 383 CE3 TRP A 221 53.599 35.323 17.379 1.00 11.00 C ATOM 384 CZ2 TRP A 221 55.182 32.979 17.095 1.00 13.49 C ATOM 385 CZ3 TRP A 221 54.226 34.734 18.474 1.00 13.57 C ATOM 386 CH2 TRP A 221 55.009 33.571 18.322 1.00 13.57 C ATOM 387 HA TRP A 221 50.761 35.365 15.664 1.00 0.00 H ATOM 388 HB2 TRP A 221 52.483 36.424 13.400 1.00 0.00 H ATOM 389 HB3 TRP A 221 52.578 37.037 15.067 1.00 0.00 H ATOM 390 HE1 TRP A 221 55.043 32.387 14.273 1.00 0.00 H ATOM 391 HD1 TRP A 221 53.601 34.061 12.893 1.00 0.00 H ATOM 392 HZ2 TRP A 221 55.788 32.080 16.982 1.00 0.00 H ATOM 393 HH2 TRP A 221 55.487 33.132 19.198 1.00 0.00 H ATOM 394 HZ3 TRP A 221 54.110 35.178 19.463 1.00 0.00 H ATOM 395 HE3 TRP A 221 52.995 36.222 17.503 1.00 0.00 H ATOM 396 H TRP A 221 50.343 35.039 12.682 1.00 0.00 H ATOM 397 N PHE A 222 49.723 37.643 15.755 1.00 10.08 N ATOM 398 CA PHE A 222 48.849 38.824 15.842 1.00 10.35 C ATOM 399 C PHE A 222 49.430 39.864 16.810 1.00 10.33 C ATOM 400 O PHE A 222 50.106 39.517 17.777 1.00 9.54 O ATOM 401 CB PHE A 222 47.470 38.418 16.373 1.00 11.19 C ATOM 402 CG PHE A 222 46.808 37.324 15.587 1.00 11.15 C ATOM 403 CD1 PHE A 222 47.282 36.016 15.646 1.00 10.26 C ATOM 404 CD2 PHE A 222 45.725 37.608 14.768 1.00 11.81 C ATOM 405 CE1 PHE A 222 46.686 35.004 14.892 1.00 10.28 C ATOM 406 CE2 PHE A 222 45.123 36.605 14.013 1.00 12.29 C ATOM 407 CZ PHE A 222 45.606 35.302 14.075 1.00 10.56 C ATOM 408 HA PHE A 222 48.770 39.249 14.841 1.00 0.00 H ATOM 409 HB2 PHE A 222 47.586 38.078 17.402 1.00 0.00 H ATOM 410 HB3 PHE A 222 46.823 39.295 16.352 1.00 0.00 H ATOM 411 HD2 PHE A 222 45.341 38.627 14.715 1.00 0.00 H ATOM 412 HE2 PHE A 222 44.273 36.841 13.373 1.00 0.00 H ATOM 413 HZ PHE A 222 45.136 34.517 13.483 1.00 0.00 H ATOM 414 HE1 PHE A 222 47.068 33.984 14.945 1.00 0.00 H ATOM 415 HD1 PHE A 222 48.129 35.779 16.289 1.00 0.00 H ATOM 416 H PHE A 222 50.141 37.260 16.627 1.00 0.00 H ATOM 417 N HIS A 223 49.141 41.137 16.545 1.00 9.78 N ATOM 418 CA HIS A 223 49.579 42.223 17.427 1.00 9.17 C ATOM 419 C HIS A 223 48.647 42.154 18.643 1.00 9.39 C ATOM 420 O HIS A 223 47.438 41.978 18.484 1.00 8.97 O ATOM 421 CB HIS A 223 49.408 43.583 16.742 1.00 9.57 C ATOM 422 CG HIS A 223 50.040 43.663 15.388 1.00 10.62 C ATOM 423 ND1 HIS A 223 51.400 43.792 15.201 1.00 12.26 N ATOM 424 CD2 HIS A 223 49.494 43.621 14.149 1.00 8.61 C ATOM 425 CE1 HIS A 223 51.664 43.826 13.907 1.00 7.11 C ATOM 426 NE2 HIS A 223 50.524 43.724 13.247 1.00 11.13 N ATOM 427 HA HIS A 223 50.631 42.118 17.691 1.00 0.00 H ATOM 428 HB2 HIS A 223 48.342 43.783 16.636 1.00 0.00 H ATOM 429 HB3 HIS A 223 49.858 44.346 17.377 1.00 0.00 H ATOM 430 HD2 HIS A 223 48.434 43.524 13.912 1.00 0.00 H ATOM 431 HE1 HIS A 223 52.654 43.922 13.460 1.00 0.00 H ATOM 432 H HIS A 223 48.592 41.366 15.692 1.00 0.00 H ATOM 433 N PHE A 224 49.200 42.294 19.844 1.00 8.53 N ATOM 434 CA PHE A 224 48.400 42.218 21.078 1.00 10.30 C ATOM 435 C PHE A 224 47.095 43.028 20.983 1.00 10.08 C ATOM 436 O PHE A 224 46.012 42.484 21.172 1.00 10.91 O ATOM 437 CB PHE A 224 49.199 42.736 22.283 1.00 10.86 C ATOM 438 CG PHE A 224 49.966 41.669 23.025 1.00 12.26 C ATOM 439 CD1 PHE A 224 50.276 41.842 24.373 1.00 11.54 C ATOM 440 CD2 PHE A 224 50.396 40.510 22.384 1.00 11.38 C ATOM 441 CE1 PHE A 224 51.002 40.878 25.075 1.00 12.04 C ATOM 442 CE2 PHE A 224 51.125 39.539 23.078 1.00 13.03 C ATOM 443 CZ PHE A 224 51.427 39.727 24.429 1.00 11.88 C ATOM 444 HA PHE A 224 48.152 41.165 21.210 1.00 0.00 H ATOM 445 HB2 PHE A 224 49.909 43.482 21.927 1.00 0.00 H ATOM 446 HB3 PHE A 224 48.503 43.203 22.979 1.00 0.00 H ATOM 447 HD2 PHE A 224 50.162 40.358 21.330 1.00 0.00 H ATOM 448 HE2 PHE A 224 51.457 38.636 22.565 1.00 0.00 H ATOM 449 HZ PHE A 224 51.994 38.972 24.973 1.00 0.00 H ATOM 450 HE1 PHE A 224 51.234 41.030 26.129 1.00 0.00 H ATOM 451 HD1 PHE A 224 49.946 42.745 24.887 1.00 0.00 H ATOM 452 H PHE A 224 50.224 42.462 19.914 1.00 0.00 H ATOM 453 N ALA A 225 47.208 44.322 20.697 1.00 10.80 N ATOM 454 CA ALA A 225 46.039 45.219 20.651 1.00 11.03 C ATOM 455 C ALA A 225 44.986 44.773 19.634 1.00 10.82 C ATOM 456 O ALA A 225 43.789 44.963 19.858 1.00 10.53 O ATOM 457 CB ALA A 225 46.486 46.647 20.345 1.00 10.49 C ATOM 458 HA ALA A 225 45.570 45.178 21.634 1.00 0.00 H ATOM 459 HB1 ALA A 225 47.169 46.987 21.124 1.00 0.00 H ATOM 460 HB2 ALA A 225 46.993 46.669 19.380 1.00 0.00 H ATOM 461 HB3 ALA A 225 45.614 47.300 20.314 1.00 0.00 H ATOM 462 H ALA A 225 48.151 44.713 20.500 1.00 0.00 H ATOM 463 N CYS A 226 45.417 44.192 18.522 1.00 10.73 N ATOM 464 CA CYS A 226 44.470 43.771 17.493 1.00 9.95 C ATOM 465 C CYS A 226 43.563 42.652 18.014 1.00 10.59 C ATOM 466 O CYS A 226 42.452 42.476 17.516 1.00 9.64 O ATOM 467 CB CYS A 226 45.221 43.334 16.236 1.00 9.58 C ATOM 468 SG CYS A 226 46.006 44.727 15.384 1.00 10.34 S ATOM 469 HA CYS A 226 43.833 44.617 17.235 1.00 0.00 H ATOM 470 HB2 CYS A 226 44.516 42.858 15.554 1.00 0.00 H ATOM 471 HB3 CYS A 226 45.991 42.617 16.519 1.00 0.00 H ATOM 472 HG CYS A 226 46.909 45.333 16.233 1.00 0.00 H ATOM 473 H CYS A 226 46.436 44.035 18.382 1.00 0.00 H ATOM 474 N VAL A 227 44.023 41.907 19.017 1.00 10.39 N ATOM 475 CA VAL A 227 43.199 40.833 19.573 1.00 11.47 C ATOM 476 C VAL A 227 42.777 41.194 21.007 1.00 12.94 C ATOM 477 O VAL A 227 42.479 40.317 21.823 1.00 13.19 O ATOM 478 CB VAL A 227 43.933 39.465 19.541 1.00 11.80 C ATOM 479 CG1 VAL A 227 44.039 38.977 18.102 1.00 13.13 C ATOM 480 CG2 VAL A 227 45.318 39.580 20.162 1.00 11.55 C ATOM 481 HA VAL A 227 42.309 40.731 18.951 1.00 0.00 H ATOM 482 HB VAL A 227 43.360 38.745 20.125 1.00 0.00 H ATOM 483 HG11 VAL A 227 43.039 38.863 17.684 1.00 0.00 H ATOM 484 HG12 VAL A 227 44.599 39.704 17.514 1.00 0.00 H ATOM 485 HG13 VAL A 227 44.555 38.017 18.082 1.00 0.00 H ATOM 486 HG21 VAL A 227 45.906 40.308 19.603 1.00 0.00 H ATOM 487 HG22 VAL A 227 45.224 39.905 21.198 1.00 0.00 H ATOM 488 HG23 VAL A 227 45.812 38.609 20.128 1.00 0.00 H ATOM 489 H VAL A 227 44.970 42.089 19.406 1.00 0.00 H ATOM 490 N GLY A 228 42.759 42.496 21.290 1.00 13.48 N ATOM 491 CA GLY A 228 42.340 43.001 22.588 1.00 14.23 C ATOM 492 C GLY A 228 43.136 42.600 23.817 1.00 14.45 C ATOM 493 O GLY A 228 42.578 42.500 24.911 1.00 14.26 O ATOM 494 HA3 GLY A 228 41.314 42.668 22.747 1.00 0.00 H ATOM 495 HA2 GLY A 228 42.362 44.089 22.532 1.00 0.00 H ATOM 496 H GLY A 228 43.054 43.174 20.558 1.00 0.00 H ATOM 497 N LEU A 229 44.439 42.401 23.663 1.00 14.22 N ATOM 498 CA LEU A 229 45.262 41.998 24.802 1.00 14.08 C ATOM 499 C LEU A 229 46.219 43.113 25.200 1.00 14.34 C ATOM 500 O LEU A 229 46.687 43.877 24.360 1.00 13.77 O ATOM 501 CB LEU A 229 46.081 40.752 24.454 1.00 13.65 C ATOM 502 CG LEU A 229 45.326 39.466 24.122 1.00 14.26 C ATOM 503 CD1 LEU A 229 46.324 38.407 23.678 1.00 14.51 C ATOM 504 CD2 LEU A 229 44.540 38.987 25.338 1.00 14.76 C ATOM 505 HA LEU A 229 44.592 41.781 25.634 1.00 0.00 H ATOM 506 HB2 LEU A 229 46.696 40.999 23.589 1.00 0.00 H ATOM 507 HB3 LEU A 229 46.725 40.539 25.307 1.00 0.00 H ATOM 508 HG LEU A 229 44.618 39.654 23.315 1.00 0.00 H ATOM 509 HD21 LEU A 229 45.228 38.795 26.161 1.00 0.00 H ATOM 510 HD22 LEU A 229 43.825 39.755 25.632 1.00 0.00 H ATOM 511 HD23 LEU A 229 44.007 38.070 25.086 1.00 0.00 H ATOM 512 HD11 LEU A 229 46.857 38.760 22.795 1.00 0.00 H ATOM 513 HD12 LEU A 229 47.035 38.220 24.483 1.00 0.00 H ATOM 514 HD13 LEU A 229 45.792 37.486 23.439 1.00 0.00 H ATOM 515 H LEU A 229 44.876 42.532 22.729 1.00 0.00 H ATOM 516 N THR A 230 46.498 43.188 26.498 1.00 14.40 N ATOM 517 CA THR A 230 47.453 44.152 27.043 1.00 14.53 C ATOM 518 C THR A 230 48.583 43.310 27.644 1.00 14.51 C ATOM 519 O THR A 230 49.754 43.665 27.553 1.00 14.81 O ATOM 520 CB THR A 230 46.828 45.030 28.143 1.00 14.87 C ATOM 521 OG1 THR A 230 45.732 45.777 27.596 1.00 15.80 O ATOM 522 CG2 THR A 230 47.863 46.003 28.688 1.00 14.50 C ATOM 523 HA THR A 230 47.795 44.831 26.262 1.00 0.00 H ATOM 524 HB THR A 230 46.476 44.385 28.948 1.00 0.00 H ATOM 525 HG1 THR A 230 45.050 45.151 27.246 1.00 0.00 H ATOM 526 HG23 THR A 230 48.700 45.444 29.106 1.00 0.00 H ATOM 527 HG21 THR A 230 48.219 46.643 27.881 1.00 0.00 H ATOM 528 HG22 THR A 230 47.409 46.616 29.466 1.00 0.00 H ATOM 529 H THR A 230 46.018 42.536 27.151 1.00 0.00 H ATOM 530 N THR A 231 48.205 42.186 28.251 1.00 14.49 N ATOM 531 CA THR A 231 49.159 41.242 28.849 1.00 14.64 C ATOM 532 C THR A 231 48.825 39.852 28.290 1.00 15.93 C ATOM 533 O THR A 231 47.667 39.558 27.975 1.00 15.14 O ATOM 534 CB THR A 231 49.068 41.221 30.394 1.00 13.71 C ATOM 535 OG1 THR A 231 47.726 40.930 30.799 1.00 12.94 O ATOM 536 CG2 THR A 231 49.497 42.565 30.968 1.00 12.15 C ATOM 537 HA THR A 231 50.176 41.546 28.600 1.00 0.00 H ATOM 538 HB THR A 231 49.735 40.447 30.772 1.00 0.00 H ATOM 539 HG1 THR A 231 47.460 40.045 30.444 1.00 0.00 H ATOM 540 HG23 THR A 231 50.519 42.782 30.657 1.00 0.00 H ATOM 541 HG21 THR A 231 48.831 43.345 30.600 1.00 0.00 H ATOM 542 HG22 THR A 231 49.447 42.526 32.056 1.00 0.00 H ATOM 543 H THR A 231 47.190 41.967 28.304 1.00 0.00 H ATOM 544 N LYS A 232 49.833 38.997 28.182 1.00 17.11 N ATOM 545 CA LYS A 232 49.638 37.663 27.606 1.00 18.87 C ATOM 546 C LYS A 232 48.763 36.779 28.489 1.00 18.56 C ATOM 547 O LYS A 232 48.894 36.766 29.714 1.00 17.72 O ATOM 548 CB LYS A 232 50.983 36.971 27.380 1.00 20.52 C ATOM 549 CG LYS A 232 51.714 36.602 28.653 1.00 23.39 C ATOM 550 CD LYS A 232 52.969 35.805 28.347 1.00 25.87 C ATOM 551 CE LYS A 232 53.709 35.440 29.622 1.00 27.65 C ATOM 552 NZ LYS A 232 54.932 34.638 29.338 1.00 29.82 N ATOM 553 HA LYS A 232 49.130 37.804 26.652 1.00 0.00 H ATOM 554 HB2 LYS A 232 50.807 36.059 26.810 1.00 0.00 H ATOM 555 HB3 LYS A 232 51.620 37.641 26.802 1.00 0.00 H ATOM 556 HG2 LYS A 232 51.990 37.514 29.183 1.00 0.00 H ATOM 557 HG3 LYS A 232 51.055 36.003 29.282 1.00 0.00 H ATOM 558 HD2 LYS A 232 52.692 34.891 27.822 1.00 0.00 H ATOM 559 HD3 LYS A 232 53.625 36.402 27.713 1.00 0.00 H ATOM 560 HE2 LYS A 232 53.045 34.858 30.262 1.00 0.00 H ATOM 561 HE3 LYS A 232 53.998 36.356 30.138 1.00 0.00 H ATOM 562 HZ1 LYS A 232 54.663 33.759 28.851 1.00 0.00 H ATOM 563 HZ2 LYS A 232 55.573 35.189 28.732 1.00 0.00 H ATOM 564 HZ3 LYS A 232 55.410 34.408 30.233 1.00 0.00 H ATOM 565 H LYS A 232 50.779 39.278 28.512 1.00 0.00 H ATOM 566 N PRO A 233 47.845 36.026 27.863 1.00 18.91 N ATOM 567 CA PRO A 233 46.963 35.133 28.614 1.00 19.44 C ATOM 568 C PRO A 233 47.776 33.904 29.020 1.00 19.66 C ATOM 569 O PRO A 233 48.824 33.624 28.432 1.00 19.03 O ATOM 570 CB PRO A 233 45.867 34.806 27.604 1.00 20.66 C ATOM 571 CG PRO A 233 46.607 34.826 26.304 1.00 21.03 C ATOM 572 CD PRO A 233 47.476 36.053 26.436 1.00 19.50 C ATOM 573 HA PRO A 233 46.543 35.544 29.532 1.00 0.00 H ATOM 574 HD3 PRO A 233 48.358 35.983 25.799 1.00 0.00 H ATOM 575 HD2 PRO A 233 46.921 36.958 26.189 1.00 0.00 H ATOM 576 HG3 PRO A 233 45.921 34.919 25.462 1.00 0.00 H ATOM 577 HG2 PRO A 233 47.211 33.927 26.181 1.00 0.00 H ATOM 578 HB2 PRO A 233 45.434 33.824 27.796 1.00 0.00 H ATOM 579 HB3 PRO A 233 45.079 35.559 27.620 1.00 0.00 H ATOM 580 N ARG A 234 47.302 33.186 30.030 1.00 20.20 N ATOM 581 CA ARG A 234 47.993 31.991 30.509 1.00 22.15 C ATOM 582 C ARG A 234 47.503 30.802 29.679 1.00 20.00 C ATOM 583 O ARG A 234 46.335 30.744 29.300 1.00 20.83 O ATOM 584 CB ARG A 234 47.666 31.762 31.988 1.00 27.46 C ATOM 585 CG ARG A 234 48.460 30.649 32.656 1.00 34.64 C ATOM 586 CD ARG A 234 49.926 31.027 32.804 1.00 40.57 C ATOM 587 NE ARG A 234 50.703 29.978 33.460 1.00 46.06 N ATOM 588 CZ ARG A 234 52.008 30.058 33.708 1.00 48.61 C ATOM 589 NH1 ARG A 234 52.688 31.141 33.354 1.00 49.70 N ATOM 590 NH2 ARG A 234 52.634 29.053 34.307 1.00 49.84 N ATOM 591 HA ARG A 234 49.072 32.107 30.407 1.00 0.00 H ATOM 592 HB2 ARG A 234 47.864 32.689 32.526 1.00 0.00 H ATOM 593 HB3 ARG A 234 46.607 31.517 32.067 1.00 0.00 H ATOM 594 HG2 ARG A 234 48.041 30.457 33.644 1.00 0.00 H ATOM 595 HG3 ARG A 234 48.385 29.746 32.050 1.00 0.00 H ATOM 596 HD2 ARG A 234 49.996 31.939 33.397 1.00 0.00 H ATOM 597 HD3 ARG A 234 50.344 31.207 31.814 1.00 0.00 H ATOM 598 HE ARG A 234 50.204 29.113 33.752 1.00 0.00 H ATOM 599 HH12 ARG A 234 53.708 31.201 33.549 1.00 0.00 H ATOM 600 HH11 ARG A 234 52.201 31.929 32.882 1.00 0.00 H ATOM 601 HH22 ARG A 234 53.654 29.117 34.500 1.00 0.00 H ATOM 602 HH21 ARG A 234 52.105 28.201 34.583 1.00 0.00 H ATOM 603 H ARG A 234 46.418 33.481 30.492 1.00 0.00 H ATOM 604 N GLY A 235 48.400 29.865 29.391 1.00 17.45 N ATOM 605 CA GLY A 235 48.013 28.691 28.626 1.00 15.90 C ATOM 606 C GLY A 235 47.872 28.904 27.129 1.00 14.99 C ATOM 607 O GLY A 235 48.227 29.957 26.597 1.00 12.78 O ATOM 608 HA3 GLY A 235 47.053 28.342 29.008 1.00 0.00 H ATOM 609 HA2 GLY A 235 48.768 27.921 28.786 1.00 0.00 H ATOM 610 H GLY A 235 49.383 29.972 29.714 1.00 0.00 H ATOM 611 N LYS A 236 47.339 27.895 26.449 1.00 13.78 N ATOM 612 CA LYS A 236 47.168 27.950 25.001 1.00 12.73 C ATOM 613 C LYS A 236 46.130 29.011 24.630 1.00 12.04 C ATOM 614 O LYS A 236 45.190 29.286 25.382 1.00 10.74 O ATOM 615 CB LYS A 236 46.777 26.569 24.471 1.00 14.16 C ATOM 616 CG LYS A 236 47.875 25.533 24.717 1.00 16.90 C ATOM 617 CD LYS A 236 47.629 24.222 23.996 1.00 20.93 C ATOM 618 CE LYS A 236 48.804 23.272 24.204 1.00 24.64 C ATOM 619 NZ LYS A 236 48.610 21.961 23.522 1.00 28.53 N ATOM 620 HA LYS A 236 48.111 28.235 24.535 1.00 0.00 H ATOM 621 HB2 LYS A 236 45.866 26.243 24.973 1.00 0.00 H ATOM 622 HB3 LYS A 236 46.594 26.641 23.399 1.00 0.00 H ATOM 623 HG2 LYS A 236 48.824 25.945 24.374 1.00 0.00 H ATOM 624 HG3 LYS A 236 47.932 25.335 25.787 1.00 0.00 H ATOM 625 HD2 LYS A 236 46.721 23.762 24.386 1.00 0.00 H ATOM 626 HD3 LYS A 236 47.507 24.415 22.930 1.00 0.00 H ATOM 627 HE2 LYS A 236 48.925 23.095 25.273 1.00 0.00 H ATOM 628 HE3 LYS A 236 49.706 23.741 23.810 1.00 0.00 H ATOM 629 HZ1 LYS A 236 47.756 21.500 23.896 1.00 0.00 H ATOM 630 HZ2 LYS A 236 48.502 22.116 22.499 1.00 0.00 H ATOM 631 HZ3 LYS A 236 49.437 21.355 23.696 1.00 0.00 H ATOM 632 H LYS A 236 47.035 27.043 26.962 1.00 0.00 H ATOM 633 N TRP A 237 46.316 29.606 23.457 1.00 10.60 N ATOM 634 CA TRP A 237 45.426 30.668 22.982 1.00 11.08 C ATOM 635 C TRP A 237 45.139 30.457 21.495 1.00 9.87 C ATOM 636 O TRP A 237 46.030 30.095 20.732 1.00 9.90 O ATOM 637 CB TRP A 237 46.108 32.025 23.188 1.00 10.17 C ATOM 638 CG TRP A 237 45.360 33.198 22.628 1.00 12.57 C ATOM 639 CD1 TRP A 237 44.376 33.918 23.245 1.00 13.38 C ATOM 640 CD2 TRP A 237 45.545 33.793 21.338 1.00 12.61 C ATOM 641 NE1 TRP A 237 43.939 34.928 22.419 1.00 12.97 N ATOM 642 CE2 TRP A 237 44.641 34.874 21.242 1.00 13.08 C ATOM 643 CE3 TRP A 237 46.388 33.517 20.253 1.00 12.82 C ATOM 644 CZ2 TRP A 237 44.555 35.683 20.101 1.00 12.80 C ATOM 645 CZ3 TRP A 237 46.303 34.320 19.117 1.00 13.03 C ATOM 646 CH2 TRP A 237 45.392 35.391 19.053 1.00 12.29 C ATOM 647 HA TRP A 237 44.489 30.644 23.539 1.00 0.00 H ATOM 648 HB2 TRP A 237 46.233 32.183 24.259 1.00 0.00 H ATOM 649 HB3 TRP A 237 47.087 31.988 22.711 1.00 0.00 H ATOM 650 HE1 TRP A 237 43.197 35.620 22.650 1.00 0.00 H ATOM 651 HD1 TRP A 237 43.993 33.721 24.246 1.00 0.00 H ATOM 652 HZ2 TRP A 237 43.850 36.513 20.048 1.00 0.00 H ATOM 653 HH2 TRP A 237 45.350 36.002 18.151 1.00 0.00 H ATOM 654 HZ3 TRP A 237 46.952 34.116 18.265 1.00 0.00 H ATOM 655 HE3 TRP A 237 47.097 32.690 20.297 1.00 0.00 H ATOM 656 H TRP A 237 47.115 29.310 22.860 1.00 0.00 H ATOM 657 N PHE A 238 43.889 30.682 21.098 1.00 9.88 N ATOM 658 CA PHE A 238 43.487 30.552 19.692 1.00 10.03 C ATOM 659 C PHE A 238 42.904 31.892 19.243 1.00 10.25 C ATOM 660 O PHE A 238 42.123 32.519 19.961 1.00 10.02 O ATOM 661 CB PHE A 238 42.469 29.423 19.519 1.00 9.35 C ATOM 662 CG PHE A 238 43.030 28.064 19.825 1.00 11.08 C ATOM 663 CD1 PHE A 238 43.094 27.601 21.136 1.00 10.36 C ATOM 664 CD2 PHE A 238 43.545 27.266 18.806 1.00 10.73 C ATOM 665 CE1 PHE A 238 43.666 26.366 21.431 1.00 11.69 C ATOM 666 CE2 PHE A 238 44.121 26.029 19.090 1.00 11.96 C ATOM 667 CZ PHE A 238 44.182 25.577 20.406 1.00 11.60 C ATOM 668 HA PHE A 238 44.350 30.298 19.077 1.00 0.00 H ATOM 669 HB2 PHE A 238 41.629 29.609 20.188 1.00 0.00 H ATOM 670 HB3 PHE A 238 42.118 29.428 18.487 1.00 0.00 H ATOM 671 HD2 PHE A 238 43.497 27.613 17.774 1.00 0.00 H ATOM 672 HE2 PHE A 238 44.523 25.416 18.283 1.00 0.00 H ATOM 673 HZ PHE A 238 44.632 24.610 20.633 1.00 0.00 H ATOM 674 HE1 PHE A 238 43.710 26.017 22.463 1.00 0.00 H ATOM 675 HD1 PHE A 238 42.691 28.213 21.943 1.00 0.00 H ATOM 676 H PHE A 238 43.177 30.958 21.804 1.00 0.00 H ATOM 677 N CYS A 239 43.295 32.320 18.049 1.00 9.95 N ATOM 678 CA CYS A 239 42.871 33.611 17.507 1.00 10.47 C ATOM 679 C CYS A 239 41.371 33.621 17.174 1.00 10.52 C ATOM 680 O CYS A 239 40.711 32.584 17.161 1.00 9.61 O ATOM 681 CB CYS A 239 43.685 33.941 16.258 1.00 9.69 C ATOM 682 SG CYS A 239 43.165 33.059 14.781 1.00 9.94 S ATOM 683 HA CYS A 239 43.047 34.369 18.270 1.00 0.00 H ATOM 684 HB2 CYS A 239 44.728 33.693 16.455 1.00 0.00 H ATOM 685 HB3 CYS A 239 43.597 35.010 16.066 1.00 0.00 H ATOM 686 HG CYS A 239 43.964 33.432 13.719 1.00 0.00 H ATOM 687 H CYS A 239 43.924 31.718 17.480 1.00 0.00 H ATOM 688 N PRO A 240 40.821 34.815 16.903 1.00 11.60 N ATOM 689 CA PRO A 240 39.402 34.987 16.570 1.00 11.91 C ATOM 690 C PRO A 240 38.970 34.206 15.325 1.00 12.77 C ATOM 691 O PRO A 240 37.852 33.689 15.262 1.00 13.17 O ATOM 692 CB PRO A 240 39.277 36.496 16.361 1.00 12.76 C ATOM 693 CG PRO A 240 40.340 37.056 17.260 1.00 12.75 C ATOM 694 CD PRO A 240 41.495 36.124 17.003 1.00 11.33 C ATOM 695 HA PRO A 240 38.750 34.597 17.352 1.00 0.00 H ATOM 696 HD3 PRO A 240 42.009 36.377 16.075 1.00 0.00 H ATOM 697 HD2 PRO A 240 42.208 36.140 17.828 1.00 0.00 H ATOM 698 HG3 PRO A 240 40.031 37.025 18.305 1.00 0.00 H ATOM 699 HG2 PRO A 240 40.590 38.081 16.987 1.00 0.00 H ATOM 700 HB2 PRO A 240 39.463 36.764 15.321 1.00 0.00 H ATOM 701 HB3 PRO A 240 38.289 36.851 16.655 1.00 0.00 H ATOM 702 N ARG A 241 39.859 34.122 14.340 1.00 11.67 N ATOM 703 CA ARG A 241 39.544 33.420 13.094 1.00 12.44 C ATOM 704 C ARG A 241 39.402 31.915 13.342 1.00 12.68 C ATOM 705 O ARG A 241 38.480 31.281 12.824 1.00 12.17 O ATOM 706 CB ARG A 241 40.632 33.673 12.043 1.00 12.83 C ATOM 707 CG ARG A 241 40.396 32.931 10.733 1.00 13.64 C ATOM 708 CD ARG A 241 41.391 33.342 9.654 1.00 15.05 C ATOM 709 NE ARG A 241 41.135 34.691 9.154 1.00 13.78 N ATOM 710 CZ ARG A 241 41.808 35.256 8.156 1.00 14.07 C ATOM 711 NH1 ARG A 241 42.782 34.589 7.546 1.00 12.07 N ATOM 712 NH2 ARG A 241 41.502 36.485 7.761 1.00 13.22 N ATOM 713 HA ARG A 241 38.595 33.806 12.721 1.00 0.00 H ATOM 714 HB2 ARG A 241 40.667 34.742 11.833 1.00 0.00 H ATOM 715 HB3 ARG A 241 41.590 33.353 12.453 1.00 0.00 H ATOM 716 HG2 ARG A 241 40.494 31.860 10.913 1.00 0.00 H ATOM 717 HG3 ARG A 241 39.387 33.148 10.382 1.00 0.00 H ATOM 718 HD2 ARG A 241 41.319 32.640 8.824 1.00 0.00 H ATOM 719 HD3 ARG A 241 42.397 33.307 10.072 1.00 0.00 H ATOM 720 HE ARG A 241 40.379 35.244 9.607 1.00 0.00 H ATOM 721 HH12 ARG A 241 43.307 35.033 6.766 1.00 0.00 H ATOM 722 HH11 ARG A 241 43.019 33.623 7.849 1.00 0.00 H ATOM 723 HH22 ARG A 241 42.029 36.927 6.980 1.00 0.00 H ATOM 724 HH21 ARG A 241 40.736 37.007 8.232 1.00 0.00 H ATOM 725 H ARG A 241 40.794 34.562 14.456 1.00 0.00 H ATOM 726 N CYS A 242 40.303 31.346 14.135 1.00 11.33 N ATOM 727 CA CYS A 242 40.266 29.906 14.406 1.00 12.60 C ATOM 728 C CYS A 242 39.211 29.562 15.463 1.00 13.26 C ATOM 729 O CYS A 242 38.730 28.433 15.507 1.00 12.79 O ATOM 730 CB CYS A 242 41.644 29.417 14.868 1.00 11.24 C ATOM 731 SG CYS A 242 42.917 29.537 13.595 1.00 9.77 S ATOM 732 HA CYS A 242 39.995 29.401 13.479 1.00 0.00 H ATOM 733 HB2 CYS A 242 41.556 28.374 15.171 1.00 0.00 H ATOM 734 HB3 CYS A 242 41.954 30.017 15.723 1.00 0.00 H ATOM 735 HG CYS A 242 44.116 29.077 14.101 1.00 0.00 H ATOM 736 H CYS A 242 41.045 31.931 14.570 1.00 0.00 H ATOM 737 N SER A 243 38.845 30.532 16.295 1.00 14.37 N ATOM 738 CA SER A 243 37.866 30.293 17.366 1.00 16.33 C ATOM 739 C SER A 243 36.425 30.283 16.843 1.00 18.36 C ATOM 740 O SER A 243 35.607 29.486 17.305 1.00 17.00 O ATOM 741 CB SER A 243 38.004 31.357 18.458 1.00 15.67 C ATOM 742 OG SER A 243 39.243 31.228 19.132 1.00 18.57 O ATOM 743 HA SER A 243 38.079 29.307 17.779 1.00 0.00 H ATOM 744 HB2 SER A 243 37.192 31.240 19.176 1.00 0.00 H ATOM 745 HB3 SER A 243 37.945 32.346 18.003 1.00 0.00 H ATOM 746 HG SER A 243 39.983 31.337 18.484 1.00 0.00 H ATOM 747 H SER A 243 39.260 31.480 16.186 1.00 0.00 H ATOM 748 N GLN A 244 36.112 31.165 15.899 1.00 21.09 N ATOM 749 CA GLN A 244 34.746 31.254 15.359 1.00 25.56 C ATOM 750 C GLN A 244 34.485 30.117 14.370 1.00 28.10 C ATOM 751 O GLN A 244 35.409 29.446 13.916 1.00 28.85 O ATOM 752 CB GLN A 244 34.536 32.602 14.662 1.00 26.13 C ATOM 753 CG GLN A 244 35.452 32.837 13.476 1.00 28.99 C ATOM 754 CD GLN A 244 35.181 34.160 12.780 1.00 30.70 C ATOM 755 OE1 GLN A 244 35.247 35.222 13.395 1.00 32.12 O ATOM 756 NE2 GLN A 244 34.875 34.099 11.489 1.00 31.72 N ATOM 757 HA GLN A 244 34.045 31.168 16.189 1.00 0.00 H ATOM 758 HB2 GLN A 244 33.505 32.650 14.313 1.00 0.00 H ATOM 759 HB3 GLN A 244 34.709 33.394 15.390 1.00 0.00 H ATOM 760 HG2 GLN A 244 36.484 32.831 13.826 1.00 0.00 H ATOM 761 HG3 GLN A 244 35.308 32.029 12.758 1.00 0.00 H ATOM 762 HE22 GLN A 244 34.830 33.178 11.008 1.00 0.00 H ATOM 763 HE21 GLN A 244 34.680 34.972 10.959 1.00 0.00 H ATOM 764 H GLN A 244 36.847 31.805 15.535 1.00 0.00 H ATOM 765 N GLU A 245 33.210 29.916 14.044 1.00 32.54 N ATOM 766 CA GLU A 245 32.794 28.866 13.104 1.00 35.74 C ATOM 767 C GLU A 245 33.578 29.043 11.801 1.00 37.08 C ATOM 768 O GLU A 245 34.157 30.133 11.605 1.00 38.55 O ATOM 769 CB GLU A 245 31.295 28.980 12.807 1.00 36.86 C ATOM 770 CG GLU A 245 30.374 28.845 14.013 1.00 39.84 C ATOM 771 CD GLU A 245 30.274 27.421 14.531 1.00 41.27 C ATOM 772 OE1 GLU A 245 30.016 26.508 13.719 1.00 41.03 O ATOM 773 OE2 GLU A 245 30.441 27.214 15.751 1.00 43.13 O ATOM 774 HA GLU A 245 32.992 27.888 13.542 1.00 0.00 H ATOM 775 HB2 GLU A 245 31.115 29.955 12.355 1.00 0.00 H ATOM 776 HB3 GLU A 245 31.033 28.197 12.095 1.00 0.00 H ATOM 777 HG2 GLU A 245 30.755 29.479 14.813 1.00 0.00 H ATOM 778 HG3 GLU A 245 29.377 29.181 13.728 1.00 0.00 H ATOM 779 H GLU A 245 32.482 30.524 14.470 1.00 0.00 H TER 780 GLU A 245 HETATM 781 ZN ZN A 1 47.326 43.634 13.917 1.00 18.34 ZN HETATM 782 ZN ZN A 2 44.429 31.134 14.435 1.00 17.06 ZN HETATM 783 O HOH 3 51.562 25.531 20.019 1.00 11.07 O HETATM 784 O HOH 4 45.587 42.693 31.051 1.00 10.96 O HETATM 785 O HOH 5 49.604 29.092 14.314 1.00 12.42 O HETATM 786 O HOH 6 48.240 38.190 8.062 1.00 9.28 O HETATM 787 O HOH 7 49.917 30.977 22.181 1.00 11.01 O HETATM 788 O HOH 8 49.248 39.620 5.797 1.00 11.88 O HETATM 789 O HOH 9 47.840 46.630 17.283 1.00 12.27 O HETATM 790 O HOH 10 49.412 45.858 19.536 1.00 12.90 O HETATM 791 O HOH 11 45.648 19.354 11.202 1.00 13.62 O HETATM 792 O HOH 12 48.339 47.492 12.831 1.00 10.18 O HETATM 793 O HOH 13 49.767 23.975 18.619 1.00 12.07 O HETATM 794 O HOH 14 51.820 44.657 18.972 1.00 13.91 O HETATM 795 O HOH 15 42.493 46.832 21.325 1.00 14.85 O HETATM 796 O HOH 16 44.918 41.763 28.432 1.00 12.64 O HETATM 797 O HOH 17 40.155 26.232 14.570 1.00 21.13 O HETATM 798 O HOH 18 57.367 42.274 9.823 1.00 16.14 O HETATM 799 O HOH 19 42.228 25.113 10.802 1.00 11.79 O HETATM 800 O HOH 20 47.273 38.299 31.353 1.00 20.01 O HETATM 801 O HOH 21 55.755 44.920 4.170 1.00 26.54 O HETATM 802 O HOH 22 50.412 37.881 32.053 1.00 22.33 O HETATM 803 O HOH 23 52.339 42.802 27.986 1.00 24.47 O HETATM 804 O HOH 24 50.079 36.294 8.691 1.00 19.46 O HETATM 805 O HOH 25 42.997 26.851 8.955 1.00 22.30 O HETATM 806 O HOH 26 52.277 40.069 28.705 1.00 21.08 O HETATM 807 O HOH 27 41.826 30.708 23.086 1.00 25.15 O HETATM 808 O HOH 28 51.142 27.858 23.781 1.00 19.82 O HETATM 809 O HOH 29 51.832 28.161 13.193 1.00 25.00 O HETATM 810 O HOH 30 43.362 44.652 27.047 1.00 22.85 O HETATM 811 O HOH 31 40.132 40.903 17.299 1.00 25.69 O HETATM 812 O HOH 32 45.200 31.648 26.739 1.00 28.73 O HETATM 813 O HOH 33 49.832 27.529 9.647 1.00 23.95 O HETATM 814 O HOH 34 36.642 32.192 10.985 1.00 36.59 O HETATM 815 O HOH 35 30.535 25.132 17.384 1.00 19.51 O HETATM 816 O HOH 36 51.249 30.385 29.767 1.00 28.31 O HETATM 817 O HOH 37 32.053 26.069 12.120 1.00 42.30 O HETATM 818 O HOH 38 52.783 40.618 3.170 1.00 27.38 O HETATM 819 O HOH 39 54.204 38.839 27.095 1.00 43.78 O HETATM 820 O HOH 40 48.241 19.936 11.154 1.00 30.38 O HETATM 821 O HOH 41 53.186 45.795 22.312 1.00 22.42 O HETATM 822 O HOH 42 58.157 40.186 16.157 1.00 53.01 O HETATM 823 O HOH 43 36.884 29.465 11.719 1.00 36.58 O HETATM 824 O HOH 44 46.987 36.893 5.806 1.00 18.82 O HETATM 825 O HOH 45 45.969 17.043 10.112 1.00 22.30 O HETATM 826 O HOH 46 54.066 38.216 4.571 1.00 24.99 O HETATM 827 O HOH 47 40.623 34.764 20.240 1.00 22.01 O HETATM 828 O HOH 48 33.490 36.176 10.346 1.00 27.38 O HETATM 829 O HOH 49 43.674 49.264 21.200 1.00 23.75 O HETATM 830 O HOH 50 43.459 37.096 5.575 1.00 29.62 O HETATM 831 O HOH 51 55.218 41.684 2.564 1.00 30.57 O HETATM 832 O HOH 52 52.302 25.573 12.294 1.00 27.69 O HETATM 833 O HOH 53 49.857 48.146 20.775 1.00 25.94 O HETATM 834 O HOH 54 42.415 42.254 27.716 1.00 40.03 O HETATM 835 O HOH 55 41.979 46.390 23.919 1.00 30.97 O HETATM 836 O HOH 56 41.074 37.396 20.598 1.00 47.44 O HETATM 837 O HOH 57 47.849 16.866 8.263 1.00 37.16 O HETATM 838 O HOH 58 53.225 44.018 30.092 1.00 33.20 O HETATM 839 O HOH 59 52.496 34.184 9.376 1.00 36.73 O HETATM 840 O HOH 60 52.667 36.153 7.508 1.00 36.98 O HETATM 841 O HOH 61 39.490 25.644 10.791 1.00 30.96 O HETATM 842 O HOH 62 37.951 34.481 19.968 1.00 41.80 O HETATM 843 O HOH 63 44.247 28.538 27.874 1.00 33.78 O HETATM 844 O HOH 64 49.141 25.559 7.574 1.00 42.41 O HETATM 845 O HOH 65 50.808 45.827 26.335 1.00 37.25 O HETATM 846 O HOH 66 50.795 32.477 7.443 1.00 38.91 O HETATM 847 O HOH 67 39.689 39.467 19.545 1.00 32.06 O HETATM 848 O HOH 68 56.146 30.773 14.091 1.00 39.15 O HETATM 849 O HOH 69 49.748 23.334 8.957 1.00 42.61 O HETATM 850 O HOH 70 45.805 49.142 23.195 1.00 28.85 O HETATM 851 O HOH 71 50.603 20.458 21.196 1.00 32.98 O HETATM 852 O HOH 72 45.990 27.605 6.833 1.00 42.17 O HETATM 853 O HOH 73 39.159 30.916 21.784 1.00 40.84 O HETATM 854 O HOH 74 53.282 45.617 25.021 1.00 49.88 O HETATM 855 O HOH 75 48.471 48.240 23.242 1.00 34.39 O HETATM 856 O HOH 76 37.132 38.733 19.099 1.00 38.30 O HETATM 857 O HOH 77 58.216 47.355 17.775 1.00 43.07 O HETATM 858 O HOH 78 31.521 31.068 15.607 1.00 44.49 O HETATM 859 O HOH 79 52.158 30.848 16.132 1.00 16.75 O HETATM 860 O HOH 80 51.483 28.879 26.430 1.00 28.79 O HETATM 861 O HOH 81 56.095 46.801 23.033 1.00 49.45 O HETATM 862 O HOH 82 60.694 38.175 22.270 1.00 39.74 O HETATM 863 N NON A 83 52.160 6.771 9.090 1.00 0.24 N HETATM 864 CA NON A 83 52.503 7.045 10.515 1.00 0.06 C HETATM 865 C NON A 83 51.563 8.097 11.106 1.00 0.23 C HETATM 866 O NON A 83 51.032 8.943 10.385 1.00 -0.39 O HETATM 867 N NON A 83 51.361 8.040 12.419 1.00 -0.26 N HETATM 868 CA NON A 83 50.490 8.998 13.096 1.00 0.13 C HETATM 869 C NON A 83 51.364 10.163 13.570 1.00 0.20 C HETATM 870 O NON A 83 52.380 9.963 14.237 1.00 -0.39 O HETATM 871 N NON A 83 50.970 11.378 13.209 1.00 -0.26 N HETATM 872 CA NON A 83 51.753 12.555 13.566 1.00 0.16 C HETATM 873 C NON A 83 50.837 13.668 14.055 1.00 0.21 C HETATM 874 O NON A 83 49.610 13.573 13.988 1.00 -0.39 O HETATM 875 N NON A 83 51.459 14.727 14.558 1.00 -0.26 N HETATM 876 CA NON A 83 50.726 15.892 15.022 1.00 0.13 C HETATM 877 CB NON A 83 50.178 15.745 16.449 1.00 -0.01 C HETATM 878 CG NON A 83 51.040 16.394 17.533 1.00 -0.04 C HETATM 879 CD NON A 83 50.454 16.248 18.932 1.00 -0.01 C HETATM 880 CE NON A 83 51.260 15.301 19.821 1.00 -0.03 C HETATM 881 NZ NON A 83 51.747 15.968 21.084 1.00 0.24 N HETATM 882 CM1 NON A 83 52.861 15.408 21.881 1.00 -0.04 C HETATM 883 H38 NON A 83 53.047 16.051 22.753 1.00 0.08 H HETATM 884 H39 NON A 83 53.768 15.360 21.261 1.00 0.08 H HETATM 885 H40 NON A 83 52.596 14.396 22.221 1.00 0.08 H HETATM 886 CM2 NON A 83 50.921 16.894 21.946 1.00 -0.04 C HETATM 887 H41 NON A 83 50.094 17.308 21.351 1.00 0.08 H HETATM 888 H42 NON A 83 51.554 17.714 22.315 1.00 0.08 H HETATM 889 H43 NON A 83 50.513 16.334 22.800 1.00 0.08 H HETATM 890 CM3 NON A 83 50.916 14.906 21.747 1.00 -0.04 C HETATM 891 H44 NON A 83 51.215 13.917 21.368 1.00 0.08 H HETATM 892 H45 NON A 83 49.853 15.079 21.523 1.00 0.08 H HETATM 893 H46 NON A 83 51.072 14.944 22.835 1.00 0.08 H HETATM 894 H36 NON A 83 52.131 14.941 19.254 1.00 0.08 H HETATM 895 H37 NON A 83 50.623 14.447 20.096 1.00 0.08 H HETATM 896 H34 NON A 83 49.429 15.859 18.844 1.00 0.03 H HETATM 897 H35 NON A 83 50.430 17.240 19.407 1.00 0.03 H HETATM 898 H32 NON A 83 51.140 17.466 17.306 1.00 0.03 H HETATM 899 H33 NON A 83 52.033 15.922 17.519 1.00 0.03 H HETATM 900 H30 NON A 83 50.093 14.672 16.675 1.00 0.03 H HETATM 901 H31 NON A 83 49.180 16.207 16.482 1.00 0.03 H HETATM 902 C NON A 83 51.646 17.106 14.884 1.00 0.20 C HETATM 903 O NON A 83 52.867 17.009 15.069 1.00 -0.39 O HETATM 904 N NON A 83 51.045 18.238 14.532 1.00 -0.26 N HETATM 905 CA NON A 83 51.777 19.490 14.350 1.00 0.13 C HETATM 906 C NON A 83 51.574 20.345 15.594 1.00 0.20 C HETATM 907 O NON A 83 50.543 20.251 16.261 1.00 -0.39 O HETATM 908 N NON A 83 52.561 21.182 15.893 1.00 -0.26 N HETATM 909 CA NON A 83 52.496 22.081 17.049 1.00 0.16 C HETATM 910 C NON A 83 52.836 23.470 16.528 1.00 0.21 C HETATM 911 O NON A 83 53.792 23.620 15.772 1.00 -0.39 O HETATM 912 N NON A 83 52.056 24.475 16.916 1.00 -0.26 N HETATM 913 CA NON A 83 52.311 25.851 16.468 1.00 0.13 C HETATM 914 C NON A 83 53.691 26.278 16.986 1.00 0.20 C HETATM 915 O NON A 83 54.463 26.915 16.267 1.00 -0.39 O HETATM 916 N NON A 83 53.993 25.925 18.233 1.00 -0.26 N HETATM 917 CA NON A 83 55.294 26.257 18.835 1.00 0.13 C HETATM 918 C NON A 83 56.368 25.589 17.967 1.00 0.20 C HETATM 919 O NON A 83 56.268 24.403 17.660 1.00 -0.39 O HETATM 920 N NON A 83 57.391 26.348 17.579 1.00 -0.26 N HETATM 921 CA NON A 83 58.451 25.816 16.712 1.00 0.13 C HETATM 922 C NON A 83 59.627 25.266 17.526 1.00 0.20 C HETATM 923 O NON A 83 60.392 24.444 17.025 1.00 -0.39 O HETATM 924 N NON A 83 59.783 25.716 18.766 1.00 -0.26 N HETATM 925 CA NON A 83 60.887 25.230 19.599 1.00 0.15 C HETATM 926 C NON A 83 60.590 25.525 21.067 1.00 0.21 C HETATM 927 O NON A 83 59.681 26.287 21.385 1.00 -0.39 O HETATM 928 N NON A 83 61.368 24.914 21.956 1.00 -0.26 N HETATM 929 CA NON A 83 61.188 25.106 23.396 1.00 0.14 C HETATM 930 C NON A 83 61.487 26.566 23.744 1.00 0.13 C HETATM 931 O NON A 83 61.938 27.310 22.847 1.00 -0.37 O HETATM 932 H100 NON A 83 61.311 26.947 24.749 1.00 0.14 H HETATM 933 CB NON A 83 62.137 24.195 24.205 1.00 0.09 C HETATM 934 OG1 NON A 83 63.492 24.438 23.804 1.00 -0.39 O HETATM 935 H102 NON A 83 64.074 23.877 24.303 1.00 0.21 H HETATM 936 CG2 NON A 83 61.799 22.730 23.974 1.00 -0.03 C HETATM 937 H103 NON A 83 62.485 22.099 24.558 1.00 0.03 H HETATM 938 H104 NON A 83 61.904 22.494 22.905 1.00 0.03 H HETATM 939 H105 NON A 83 60.764 22.538 24.292 1.00 0.03 H HETATM 940 H101 NON A 83 62.028 24.424 25.275 1.00 0.06 H HETATM 941 H99 NON A 83 60.148 24.869 23.663 1.00 0.08 H HETATM 942 H98 NON A 83 62.095 24.308 21.632 1.00 0.19 H HETATM 943 CB NON A 83 62.202 25.898 19.183 1.00 0.08 C HETATM 944 OG NON A 83 62.105 27.310 19.249 1.00 -0.39 O HETATM 945 H97 NON A 83 62.932 27.696 18.986 1.00 0.21 H HETATM 946 H95 NON A 83 62.443 25.603 18.151 1.00 0.06 H HETATM 947 H96 NON A 83 63.004 25.562 19.857 1.00 0.06 H HETATM 948 H94 NON A 83 60.983 24.142 19.465 1.00 0.08 H HETATM 949 H93 NON A 83 59.143 26.391 19.134 1.00 0.19 H HETATM 950 CB NON A 83 58.950 26.906 15.760 1.00 -0.01 C HETATM 951 CG NON A 83 57.871 27.503 14.868 1.00 -0.04 C HETATM 952 CD NON A 83 57.284 26.468 13.922 1.00 -0.01 C HETATM 953 CE NON A 83 56.245 27.098 13.002 1.00 -0.04 C HETATM 954 NZ NON A 83 55.701 26.128 12.009 1.00 0.22 N HETATM 955 H90 NON A 83 55.021 26.590 11.426 1.00 0.20 H HETATM 956 H91 NON A 83 55.262 25.361 12.494 1.00 0.20 H HETATM 957 H92 NON A 83 56.452 25.777 11.435 1.00 0.20 H HETATM 958 H88 NON A 83 56.713 27.933 12.460 1.00 0.08 H HETATM 959 H89 NON A 83 55.415 27.479 13.615 1.00 0.08 H HETATM 960 H86 NON A 83 56.807 25.671 14.511 1.00 0.03 H HETATM 961 H87 NON A 83 58.092 26.039 13.312 1.00 0.03 H HETATM 962 H84 NON A 83 58.310 28.319 14.275 1.00 0.03 H HETATM 963 H85 NON A 83 57.066 27.903 15.502 1.00 0.03 H HETATM 964 H82 NON A 83 59.727 26.470 15.115 1.00 0.03 H HETATM 965 H83 NON A 83 59.386 27.716 16.363 1.00 0.03 H HETATM 966 H81 NON A 83 58.028 24.994 16.116 1.00 0.08 H HETATM 967 H80 NON A 83 57.439 27.299 17.884 1.00 0.19 H HETATM 968 CB NON A 83 55.368 25.719 20.268 1.00 -0.01 C HETATM 969 CG NON A 83 56.662 26.055 20.996 1.00 -0.02 C HETATM 970 CD NON A 83 56.778 25.281 22.298 1.00 0.06 C HETATM 971 NE NON A 83 55.712 25.602 23.245 1.00 -0.27 N HETATM 972 CZ NON A 83 55.629 26.742 23.922 1.00 0.29 C HETATM 973 NH1 NON A 83 56.552 27.683 23.763 1.00 -0.28 N HETATM 974 H76 NON A 83 56.484 28.565 24.290 1.00 0.26 H HETATM 975 H77 NON A 83 57.336 27.531 23.113 1.00 0.26 H HETATM 976 NH2 NON A 83 54.624 26.941 24.765 1.00 -0.28 N HETATM 977 H78 NON A 83 53.906 26.213 24.891 1.00 0.26 H HETATM 978 H79 NON A 83 54.562 27.823 25.293 1.00 0.26 H HETATM 979 H75 NON A 83 54.976 24.898 23.398 1.00 0.26 H HETATM 980 H73 NON A 83 57.745 25.520 22.764 1.00 0.07 H HETATM 981 H74 NON A 83 56.735 24.205 22.072 1.00 0.07 H HETATM 982 H71 NON A 83 56.680 27.133 21.217 1.00 0.03 H HETATM 983 H72 NON A 83 57.514 25.799 20.349 1.00 0.03 H HETATM 984 H69 NON A 83 55.268 24.624 20.231 1.00 0.03 H HETATM 985 H70 NON A 83 54.530 26.145 20.840 1.00 0.03 H HETATM 986 H68 NON A 83 55.439 27.347 18.845 1.00 0.08 H HETATM 987 H67 NON A 83 53.319 25.422 18.774 1.00 0.19 H HETATM 988 CB NON A 83 51.228 26.787 16.996 1.00 -0.02 C HETATM 989 H64 NON A 83 51.431 27.812 16.654 1.00 0.03 H HETATM 990 H65 NON A 83 51.225 26.761 18.096 1.00 0.03 H HETATM 991 H66 NON A 83 50.247 26.462 16.619 1.00 0.03 H HETATM 992 H63 NON A 83 52.308 25.884 15.368 1.00 0.08 H HETATM 993 H62 NON A 83 51.283 24.291 17.523 1.00 0.19 H HETATM 994 CB NON A 83 53.541 21.704 18.113 1.00 0.09 C HETATM 995 OG1 NON A 83 53.544 20.286 18.297 1.00 -0.39 O HETATM 996 H58 NON A 83 54.190 20.054 18.954 1.00 0.21 H HETATM 997 CG2 NON A 83 53.216 22.369 19.440 1.00 -0.03 C HETATM 998 H59 NON A 83 53.973 22.087 20.186 1.00 0.03 H HETATM 999 H60 NON A 83 52.224 22.039 19.782 1.00 0.03 H HETATM 1000 H61 NON A 83 53.215 23.462 19.312 1.00 0.03 H HETATM 1001 H57 NON A 83 54.535 22.033 17.775 1.00 0.06 H HETATM 1002 H56 NON A 83 51.489 22.062 17.490 1.00 0.08 H HETATM 1003 H55 NON A 83 53.374 21.199 15.311 1.00 0.19 H HETATM 1004 CB NON A 83 51.237 20.249 13.137 1.00 0.00 C HETATM 1005 CG NON A 83 51.407 19.551 11.803 1.00 0.04 C HETATM 1006 CD NON A 83 52.853 19.514 11.345 1.00 0.17 C HETATM 1007 OE1 NON A 83 53.683 20.303 11.803 1.00 -0.40 O HETATM 1008 NE2 NON A 83 53.159 18.607 10.422 1.00 -0.30 N HETATM 1009 H53 NON A 83 54.097 18.536 10.082 1.00 0.18 H HETATM 1010 H54 NON A 83 52.451 17.996 10.068 1.00 0.18 H HETATM 1011 H51 NON A 83 50.812 20.085 11.047 1.00 0.05 H HETATM 1012 H52 NON A 83 51.040 18.518 11.896 1.00 0.05 H HETATM 1013 H49 NON A 83 51.758 21.216 13.082 1.00 0.03 H HETATM 1014 H50 NON A 83 50.162 20.420 13.295 1.00 0.03 H HETATM 1015 H48 NON A 83 52.847 19.278 14.208 1.00 0.08 H HETATM 1016 H47 NON A 83 50.056 18.233 14.386 1.00 0.19 H HETATM 1017 H29 NON A 83 49.862 16.036 14.357 1.00 0.08 H HETATM 1018 H28 NON A 83 52.457 14.723 14.619 1.00 0.19 H HETATM 1019 CB NON A 83 52.522 13.082 12.343 1.00 0.09 C HETATM 1020 OG1 NON A 83 51.586 13.425 11.310 1.00 -0.39 O HETATM 1021 H24 NON A 83 52.057 13.751 10.553 1.00 0.21 H HETATM 1022 CG2 NON A 83 53.482 12.025 11.816 1.00 -0.03 C HETATM 1023 H25 NON A 83 54.021 12.422 10.943 1.00 0.03 H HETATM 1024 H26 NON A 83 52.916 11.129 11.521 1.00 0.03 H HETATM 1025 H27 NON A 83 54.203 11.760 12.603 1.00 0.03 H HETATM 1026 H23 NON A 83 53.093 13.976 12.633 1.00 0.06 H HETATM 1027 H22 NON A 83 52.465 12.286 14.361 1.00 0.08 H HETATM 1028 H21 NON A 83 50.125 11.488 12.685 1.00 0.19 H HETATM 1029 CB NON A 83 49.774 8.318 14.267 1.00 -0.01 C HETATM 1030 CG NON A 83 50.692 7.733 15.320 1.00 -0.02 C HETATM 1031 CD NON A 83 50.099 6.465 15.930 1.00 0.06 C HETATM 1032 NE NON A 83 50.667 6.191 17.245 1.00 -0.27 N HETATM 1033 CZ NON A 83 50.361 6.880 18.341 1.00 0.29 C HETATM 1034 NH1 NON A 83 49.488 7.877 18.274 1.00 -0.28 N HETATM 1035 H17 NON A 83 49.250 8.411 19.122 1.00 0.26 H HETATM 1036 H18 NON A 83 49.048 8.117 17.374 1.00 0.26 H HETATM 1037 NH2 NON A 83 50.935 6.583 19.499 1.00 -0.28 N HETATM 1038 H19 NON A 83 51.613 5.810 19.554 1.00 0.26 H HETATM 1039 H20 NON A 83 50.703 7.126 20.343 1.00 0.26 H HETATM 1040 H16 NON A 83 51.344 5.420 17.330 1.00 0.26 H HETATM 1041 H14 NON A 83 50.311 5.615 15.265 1.00 0.07 H HETATM 1042 H15 NON A 83 49.011 6.591 16.029 1.00 0.07 H HETATM 1043 H12 NON A 83 50.844 8.477 16.116 1.00 0.03 H HETATM 1044 H13 NON A 83 51.659 7.489 14.857 1.00 0.03 H HETATM 1045 H10 NON A 83 49.154 7.504 13.863 1.00 0.03 H HETATM 1046 H11 NON A 83 49.128 9.064 14.753 1.00 0.03 H HETATM 1047 H9 NON A 83 49.736 9.374 12.389 1.00 0.08 H HETATM 1048 H8 NON A 83 51.814 7.327 12.954 1.00 0.19 H HETATM 1049 CB NON A 83 53.945 7.521 10.613 1.00 -0.00 C HETATM 1050 H5 NON A 83 54.194 7.722 11.665 1.00 0.03 H HETATM 1051 H6 NON A 83 54.068 8.442 10.025 1.00 0.03 H HETATM 1052 H7 NON A 83 54.616 6.743 10.220 1.00 0.03 H HETATM 1053 H4 NON A 83 52.395 6.114 11.090 1.00 0.11 H HETATM 1054 H1 NON A 83 52.790 6.077 8.720 1.00 0.20 H HETATM 1055 H2 NON A 83 52.245 7.621 8.555 1.00 0.20 H HETATM 1056 H3 NON A 83 51.213 6.431 9.032 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 72 71 76 781 CONECT 102 101 106 781 CONECT 259 258 263 782 CONECT 322 321 326 782 CONECT 468 467 472 781 CONECT 682 681 686 782 CONECT 731 730 735 782 CONECT 781 72 102 468 CONECT 782 259 322 682 731 CONECT 863 864 1054 1055 1056 CONECT 864 863 865 1049 1053 CONECT 865 864 866 867 CONECT 866 865 CONECT 867 865 868 1048 CONECT 868 867 869 1029 1047 CONECT 869 868 870 871 CONECT 870 869 CONECT 871 869 872 1028 CONECT 872 871 873 1019 1027 CONECT 873 872 874 875 CONECT 874 873 CONECT 875 873 876 1018 CONECT 876 875 877 902 1017 CONECT 877 876 878 900 901 CONECT 878 877 879 898 899 CONECT 879 878 880 896 897 CONECT 880 879 881 894 895 CONECT 881 880 882 886 890 CONECT 882 881 883 884 885 CONECT 883 882 CONECT 884 882 CONECT 885 882 CONECT 886 881 887 888 889 CONECT 887 886 CONECT 888 886 CONECT 889 886 CONECT 890 881 891 892 893 CONECT 891 890 CONECT 892 890 CONECT 893 890 CONECT 894 880 CONECT 895 880 CONECT 896 879 CONECT 897 879 CONECT 898 878 CONECT 899 878 CONECT 900 877 CONECT 901 877 CONECT 902 876 903 904 CONECT 903 902 CONECT 904 902 905 1016 CONECT 905 904 906 1004 1015 CONECT 906 905 907 908 CONECT 907 906 CONECT 908 906 909 1003 CONECT 909 908 910 994 1002 CONECT 910 909 911 912 CONECT 911 910 CONECT 912 910 913 993 CONECT 913 912 914 988 992 CONECT 914 913 915 916 CONECT 915 914 CONECT 916 914 917 987 CONECT 917 916 918 968 986 CONECT 918 917 919 920 CONECT 919 918 CONECT 920 918 921 967 CONECT 921 920 922 950 966 CONECT 922 921 923 924 CONECT 923 922 CONECT 924 922 925 949 CONECT 925 924 926 943 948 CONECT 926 925 927 928 CONECT 927 926 CONECT 928 926 929 942 CONECT 929 928 930 933 941 CONECT 930 929 931 932 CONECT 931 930 CONECT 932 930 CONECT 933 929 934 936 940 CONECT 934 933 935 CONECT 935 934 CONECT 936 933 937 938 939 CONECT 937 936 CONECT 938 936 CONECT 939 936 CONECT 940 933 CONECT 941 929 CONECT 942 928 CONECT 943 925 944 946 947 CONECT 944 943 945 CONECT 945 944 CONECT 946 943 CONECT 947 943 CONECT 948 925 CONECT 949 924 CONECT 950 921 951 964 965 CONECT 951 950 952 962 963 CONECT 952 951 953 960 961 CONECT 953 952 954 958 959 CONECT 954 953 955 956 957 CONECT 955 954 CONECT 956 954 CONECT 957 954 CONECT 958 953 CONECT 959 953 CONECT 960 952 CONECT 961 952 CONECT 962 951 CONECT 963 951 CONECT 964 950 CONECT 965 950 CONECT 966 921 CONECT 967 920 CONECT 968 917 969 984 985 CONECT 969 968 970 982 983 CONECT 970 969 971 980 981 CONECT 971 970 972 979 CONECT 972 971 973 976 CONECT 973 972 974 975 CONECT 974 973 CONECT 975 973 CONECT 976 972 977 978 CONECT 977 976 CONECT 978 976 CONECT 979 971 CONECT 980 970 CONECT 981 970 CONECT 982 969 CONECT 983 969 CONECT 984 968 CONECT 985 968 CONECT 986 917 CONECT 987 916 CONECT 988 913 989 990 991 CONECT 989 988 CONECT 990 988 CONECT 991 988 CONECT 992 913 CONECT 993 912 CONECT 994 909 995 997 1001 CONECT 995 994 996 CONECT 996 995 CONECT 997 994 998 999 1000 CONECT 998 997 CONECT 999 997 CONECT 1000 997 CONECT 1001 994 CONECT 1002 909 CONECT 1003 908 CONECT 1004 905 1005 1013 1014 CONECT 1005 1004 1006 1011 1012 CONECT 1006 1005 1007 1008 CONECT 1007 1006 CONECT 1008 1006 1009 1010 CONECT 1009 1008 CONECT 1010 1008 CONECT 1011 1005 CONECT 1012 1005 CONECT 1013 1004 CONECT 1014 1004 CONECT 1015 905 CONECT 1016 904 CONECT 1017 876 CONECT 1018 875 CONECT 1019 872 1020 1022 1026 CONECT 1020 1019 1021 CONECT 1021 1020 CONECT 1022 1019 1023 1024 1025 CONECT 1023 1022 CONECT 1024 1022 CONECT 1025 1022 CONECT 1026 1019 CONECT 1027 872 CONECT 1028 871 CONECT 1029 868 1030 1045 1046 CONECT 1030 1029 1031 1043 1044 CONECT 1031 1030 1032 1041 1042 CONECT 1032 1031 1033 1040 CONECT 1033 1032 1034 1037 CONECT 1034 1033 1035 1036 CONECT 1035 1034 CONECT 1036 1034 CONECT 1037 1033 1038 1039 CONECT 1038 1037 CONECT 1039 1037 CONECT 1040 1032 CONECT 1041 1031 CONECT 1042 1031 CONECT 1043 1030 CONECT 1044 1030 CONECT 1045 1029 CONECT 1046 1029 CONECT 1047 868 CONECT 1048 867 CONECT 1049 864 1050 1051 1052 CONECT 1050 1049 CONECT 1051 1049 CONECT 1052 1049 CONECT 1053 864 CONECT 1054 863 CONECT 1055 863 CONECT 1056 863 MASTER 0 0 0 0 0 0 0 0 1055 1 207 4 END
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60aa, >2VNF_1|Chains... *
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2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
2pnx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Inhibitor of growth protein 4( ING4) PHD domain
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=7.9uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Mol.Cell Vol. 33: pp. 248-256
Ligand Properties
Formula
C
5
3
H
1
0
5
N
2
0
O
1
6
Molecular Weight
1278.530
Exact Mass
1277.800
No. of atoms
194
No. of bonds
193
Polar Surface Area
619.38
LOGP Value
-5.05 (
Computed with XLOGP3
)
-7.95 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 59
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](O)C)C=O)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C53H100N20O16/c1-27(55)42(80)64-35(18-14-23-62-53(59)60)47(85)72-41(31(5)78)51(89)68-33(16-10-12-24-73(6,7)8)44(82)67-36(19-20-39(56)79)48(86)71-40(30(4)77)50(88)63-28(2)43(81)65-34(17-13-22-61-52(57)58)45(83)66-32(15-9-11-21-54)46(84)70-38(26-75)49(87)69-37(25-74)29(3)76/h25,27-38,40-41,75-78H,9-24,26,54-55H2,1-8H3,(H19-,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,79,80,81,82,83,84,85,86,87,88,89)/p+5/t27-,28-,29+,30+,31+,32-,33-,34-,35-,36-,37+,38-,40-,41-/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):
Q9UNL4
Entrez Gene ID
NCBI Entrez Gene ID:
51147
ASD
Information of known allosteric effects of PDB entries
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