Browse entries in the PDBbind-CN Database
HEADER 2VNF_COMPLEX COMPND 2VNF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 50 GLU PRO THR TYR CYS LEU CYS HIS GLN VAL SER TYR GLY SEQRES 2 A 50 GLU MET ILE GLY CYS ASP ASN PRO ASP CYS SER ILE GLU SEQRES 3 A 50 TRP PHE HIS PHE ALA CYS VAL GLY LEU THR THR LYS PRO SEQRES 4 A 50 ARG GLY LYS TRP PHE CYS PRO ARG CYS SER GLN HET ZN A 1 1 HET ZN A 2 1 HET ALA A 121 52 ATOM 1 N GLU A 195 9.164 -25.487 -7.395 1.00 49.98 N ATOM 2 CA GLU A 195 8.937 -25.020 -5.982 1.00 47.98 C ATOM 3 C GLU A 195 8.103 -23.736 -5.978 1.00 44.18 C ATOM 4 O GLU A 195 8.516 -22.746 -6.579 1.00 43.96 O ATOM 5 CB GLU A 195 10.275 -24.732 -5.291 1.00 49.84 C ATOM 6 CG GLU A 195 10.649 -25.658 -4.135 1.00 54.04 C ATOM 7 CD GLU A 195 9.933 -25.302 -2.838 1.00 56.45 C ATOM 8 OE1 GLU A 195 10.607 -24.970 -1.836 1.00 53.49 O ATOM 9 OE2 GLU A 195 8.686 -25.359 -2.813 1.00 59.24 O ATOM 10 HA GLU A 195 8.409 -25.810 -5.447 1.00 0.00 H ATOM 11 HB2 GLU A 195 11.061 -24.804 -6.043 1.00 0.00 H ATOM 12 HB3 GLU A 195 10.237 -23.714 -4.903 1.00 0.00 H ATOM 13 HG2 GLU A 195 10.387 -26.680 -4.408 1.00 0.00 H ATOM 14 HG3 GLU A 195 11.724 -25.592 -3.969 1.00 0.00 H ATOM 15 HN3 GLU A 195 9.670 -24.750 -7.925 1.00 0.00 H ATOM 16 HN2 GLU A 195 8.247 -25.674 -7.848 1.00 0.00 H ATOM 17 HN1 GLU A 195 9.731 -26.359 -7.384 1.00 0.00 H ATOM 18 N PRO A 196 6.940 -23.739 -5.295 1.00 40.30 N ATOM 19 CA PRO A 196 6.105 -22.543 -5.243 1.00 35.00 C ATOM 20 C PRO A 196 6.849 -21.436 -4.505 1.00 30.92 C ATOM 21 O PRO A 196 7.688 -21.727 -3.644 1.00 28.78 O ATOM 22 CB PRO A 196 4.920 -22.971 -4.372 1.00 38.70 C ATOM 23 CG PRO A 196 4.947 -24.445 -4.361 1.00 37.97 C ATOM 24 CD PRO A 196 6.380 -24.837 -4.491 1.00 40.62 C ATOM 25 HA PRO A 196 5.826 -22.181 -6.232 1.00 0.00 H ATOM 26 HD3 PRO A 196 6.862 -24.897 -3.515 1.00 0.00 H ATOM 27 HD2 PRO A 196 6.482 -25.793 -5.004 1.00 0.00 H ATOM 28 HG3 PRO A 196 4.370 -24.840 -5.197 1.00 0.00 H ATOM 29 HG2 PRO A 196 4.535 -24.824 -3.426 1.00 0.00 H ATOM 30 HB2 PRO A 196 5.031 -22.581 -3.360 1.00 0.00 H ATOM 31 HB3 PRO A 196 3.984 -22.611 -4.799 1.00 0.00 H ATOM 32 N THR A 197 6.557 -20.190 -4.849 1.00 28.47 N ATOM 33 CA THR A 197 7.093 -19.048 -4.096 1.00 25.69 C ATOM 34 C THR A 197 6.010 -18.293 -3.329 1.00 24.93 C ATOM 35 O THR A 197 4.813 -18.407 -3.634 1.00 27.69 O ATOM 36 CB THR A 197 7.854 -18.067 -4.985 1.00 23.93 C ATOM 37 OG1 THR A 197 6.991 -17.619 -6.043 1.00 27.61 O ATOM 38 CG2 THR A 197 9.085 -18.765 -5.597 1.00 26.20 C ATOM 39 HA THR A 197 7.790 -19.483 -3.379 1.00 0.00 H ATOM 40 HB THR A 197 8.180 -17.216 -4.387 1.00 0.00 H ATOM 41 HG1 THR A 197 6.199 -17.170 -5.654 1.00 0.00 H ATOM 42 HG23 THR A 197 9.742 -19.106 -4.797 1.00 0.00 H ATOM 43 HG21 THR A 197 8.759 -19.619 -6.191 1.00 0.00 H ATOM 44 HG22 THR A 197 9.621 -18.061 -6.234 1.00 0.00 H ATOM 45 H THR A 197 5.938 -20.018 -5.666 1.00 0.00 H ATOM 46 N TYR A 198 6.445 -17.524 -2.332 1.00 19.83 N ATOM 47 CA TYR A 198 5.532 -16.976 -1.338 1.00 20.20 C ATOM 48 C TYR A 198 6.035 -15.598 -0.961 1.00 19.77 C ATOM 49 O TYR A 198 7.131 -15.214 -1.386 1.00 18.04 O ATOM 50 CB TYR A 198 5.492 -17.867 -0.090 1.00 18.94 C ATOM 51 CG TYR A 198 4.868 -19.218 -0.389 1.00 22.32 C ATOM 52 CD1 TYR A 198 5.647 -20.365 -0.412 1.00 28.04 C ATOM 53 CD2 TYR A 198 3.493 -19.337 -0.638 1.00 30.39 C ATOM 54 CE1 TYR A 198 5.070 -21.619 -0.694 1.00 29.56 C ATOM 55 CE2 TYR A 198 2.912 -20.585 -0.894 1.00 31.73 C ATOM 56 CZ TYR A 198 3.713 -21.704 -0.920 1.00 32.10 C ATOM 57 OH TYR A 198 3.170 -22.945 -1.176 1.00 37.13 O ATOM 58 HA TYR A 198 4.524 -16.925 -1.749 1.00 0.00 H ATOM 59 HB3 TYR A 198 4.906 -17.369 0.682 1.00 0.00 H ATOM 60 HB2 TYR A 198 6.510 -18.019 0.270 1.00 0.00 H ATOM 61 HD2 TYR A 198 2.867 -18.445 -0.632 1.00 0.00 H ATOM 62 HE2 TYR A 198 1.840 -20.669 -1.070 1.00 0.00 H ATOM 63 HE1 TYR A 198 5.691 -22.514 -0.733 1.00 0.00 H ATOM 64 HD1 TYR A 198 6.716 -20.296 -0.210 1.00 0.00 H ATOM 65 HH TYR A 198 3.886 -23.628 -1.156 1.00 0.00 H ATOM 66 H TYR A 198 7.460 -17.310 -2.262 1.00 0.00 H ATOM 67 N CYS A 199 5.225 -14.862 -0.190 1.00 17.86 N ATOM 68 CA CYS A 199 5.676 -13.661 0.521 1.00 16.34 C ATOM 69 C CYS A 199 5.860 -12.412 -0.353 1.00 18.21 C ATOM 70 O CYS A 199 5.687 -12.457 -1.569 1.00 19.64 O ATOM 71 CB CYS A 199 6.984 -13.995 1.320 1.00 15.65 C ATOM 72 SG CYS A 199 7.378 -12.866 2.670 1.00 17.57 S ATOM 73 HA CYS A 199 4.869 -13.388 1.201 1.00 0.00 H ATOM 74 HB2 CYS A 199 7.818 -13.985 0.619 1.00 0.00 H ATOM 75 HB3 CYS A 199 6.876 -14.995 1.739 1.00 0.00 H ATOM 76 HG CYS A 199 8.545 -13.274 3.283 1.00 0.00 H ATOM 77 H CYS A 199 4.232 -15.155 -0.091 1.00 0.00 H ATOM 78 N LEU A 200 6.133 -11.287 0.299 1.00 18.49 N ATOM 79 CA LEU A 200 6.557 -10.047 -0.349 1.00 18.11 C ATOM 80 C LEU A 200 7.869 -10.190 -1.123 1.00 18.51 C ATOM 81 O LEU A 200 8.139 -9.402 -2.041 1.00 19.93 O ATOM 82 CB LEU A 200 6.716 -8.965 0.725 1.00 21.24 C ATOM 83 CG LEU A 200 5.362 -8.713 1.367 1.00 24.15 C ATOM 84 CD1 LEU A 200 5.617 -7.999 2.676 1.00 29.17 C ATOM 85 CD2 LEU A 200 4.487 -7.866 0.434 1.00 27.89 C ATOM 86 HA LEU A 200 5.791 -9.778 -1.077 1.00 0.00 H ATOM 87 HB2 LEU A 200 7.425 -9.301 1.482 1.00 0.00 H ATOM 88 HB3 LEU A 200 7.083 -8.046 0.268 1.00 0.00 H ATOM 89 HG LEU A 200 4.830 -9.647 1.547 1.00 0.00 H ATOM 90 HD21 LEU A 200 4.978 -6.911 0.245 1.00 0.00 H ATOM 91 HD22 LEU A 200 4.344 -8.395 -0.508 1.00 0.00 H ATOM 92 HD23 LEU A 200 3.519 -7.692 0.904 1.00 0.00 H ATOM 93 HD11 LEU A 200 6.236 -8.627 3.317 1.00 0.00 H ATOM 94 HD12 LEU A 200 6.132 -7.058 2.481 1.00 0.00 H ATOM 95 HD13 LEU A 200 4.666 -7.799 3.170 1.00 0.00 H ATOM 96 H LEU A 200 6.039 -11.289 1.335 1.00 0.00 H ATOM 97 N CYS A 201 8.678 -11.179 -0.738 1.00 16.81 N ATOM 98 CA CYS A 201 10.005 -11.348 -1.297 1.00 16.62 C ATOM 99 C CYS A 201 10.017 -12.369 -2.441 1.00 19.03 C ATOM 100 O CYS A 201 11.037 -12.521 -3.108 1.00 19.31 O ATOM 101 CB CYS A 201 10.948 -11.829 -0.204 1.00 17.67 C ATOM 102 SG CYS A 201 10.566 -13.526 0.356 1.00 17.59 S ATOM 103 HA CYS A 201 10.325 -10.385 -1.695 1.00 0.00 H ATOM 104 HB2 CYS A 201 10.869 -11.154 0.648 1.00 0.00 H ATOM 105 HB3 CYS A 201 11.968 -11.809 -0.588 1.00 0.00 H ATOM 106 HG CYS A 201 11.457 -13.894 1.343 1.00 0.00 H ATOM 107 H CYS A 201 8.346 -11.849 -0.015 1.00 0.00 H ATOM 108 N HIS A 202 8.902 -13.063 -2.672 1.00 16.13 N ATOM 109 CA HIS A 202 8.813 -14.015 -3.815 1.00 18.37 C ATOM 110 C HIS A 202 9.799 -15.173 -3.804 1.00 19.52 C ATOM 111 O HIS A 202 10.252 -15.605 -4.873 1.00 21.70 O ATOM 112 CB HIS A 202 8.894 -13.302 -5.172 1.00 19.90 C ATOM 113 CG HIS A 202 7.940 -12.161 -5.254 1.00 19.86 C ATOM 114 ND1 HIS A 202 6.595 -12.338 -5.509 1.00 24.04 N ATOM 115 CD2 HIS A 202 8.104 -10.853 -4.950 1.00 19.68 C ATOM 116 CE1 HIS A 202 5.989 -11.167 -5.420 1.00 22.77 C ATOM 117 NE2 HIS A 202 6.877 -10.255 -5.075 1.00 28.84 N ATOM 118 HA HIS A 202 7.827 -14.458 -3.673 1.00 0.00 H ATOM 119 HB2 HIS A 202 9.907 -12.926 -5.314 1.00 0.00 H ATOM 120 HB3 HIS A 202 8.659 -14.016 -5.961 1.00 0.00 H ATOM 121 HD2 HIS A 202 9.036 -10.367 -4.660 1.00 0.00 H ATOM 122 HE1 HIS A 202 4.930 -10.985 -5.602 1.00 0.00 H ATOM 123 H HIS A 202 8.082 -12.938 -2.045 1.00 0.00 H ATOM 124 N GLN A 203 10.124 -15.679 -2.614 1.00 18.80 N ATOM 125 CA GLN A 203 11.081 -16.775 -2.489 1.00 18.69 C ATOM 126 C GLN A 203 10.337 -18.033 -2.009 1.00 20.08 C ATOM 127 O GLN A 203 9.199 -17.962 -1.551 1.00 20.09 O ATOM 128 CB GLN A 203 12.189 -16.382 -1.467 1.00 18.65 C ATOM 129 CG GLN A 203 12.998 -15.137 -1.875 1.00 16.64 C ATOM 130 CD GLN A 203 13.548 -15.216 -3.309 1.00 19.38 C ATOM 131 OE1 GLN A 203 14.271 -16.160 -3.666 1.00 19.98 O ATOM 132 NE2 GLN A 203 13.181 -14.240 -4.143 1.00 20.24 N ATOM 133 HA GLN A 203 11.548 -16.977 -3.453 1.00 0.00 H ATOM 134 HB2 GLN A 203 11.715 -16.184 -0.505 1.00 0.00 H ATOM 135 HB3 GLN A 203 12.877 -17.221 -1.366 1.00 0.00 H ATOM 136 HG2 GLN A 203 12.351 -14.263 -1.799 1.00 0.00 H ATOM 137 HG3 GLN A 203 13.837 -15.028 -1.187 1.00 0.00 H ATOM 138 HE22 GLN A 203 12.574 -13.467 -3.804 1.00 0.00 H ATOM 139 HE21 GLN A 203 13.502 -14.253 -5.132 1.00 0.00 H ATOM 140 H GLN A 203 9.687 -15.285 -1.757 1.00 0.00 H ATOM 141 N VAL A 204 10.991 -19.186 -2.136 1.00 20.76 N ATOM 142 CA VAL A 204 10.480 -20.462 -1.633 1.00 21.21 C ATOM 143 C VAL A 204 10.183 -20.437 -0.133 1.00 20.21 C ATOM 144 O VAL A 204 10.664 -19.560 0.622 1.00 21.80 O ATOM 145 CB VAL A 204 11.429 -21.628 -2.025 1.00 23.74 C ATOM 146 CG1 VAL A 204 11.502 -21.723 -3.577 1.00 20.22 C ATOM 147 CG2 VAL A 204 12.832 -21.499 -1.373 1.00 22.88 C ATOM 148 HA VAL A 204 9.518 -20.635 -2.116 1.00 0.00 H ATOM 149 HB VAL A 204 11.019 -22.559 -1.634 1.00 0.00 H ATOM 150 HG11 VAL A 204 10.505 -21.910 -3.976 1.00 0.00 H ATOM 151 HG12 VAL A 204 11.885 -20.785 -3.979 1.00 0.00 H ATOM 152 HG13 VAL A 204 12.167 -22.540 -3.859 1.00 0.00 H ATOM 153 HG21 VAL A 204 13.296 -20.566 -1.694 1.00 0.00 H ATOM 154 HG22 VAL A 204 12.729 -21.501 -0.288 1.00 0.00 H ATOM 155 HG23 VAL A 204 13.453 -22.340 -1.681 1.00 0.00 H ATOM 156 H VAL A 204 11.913 -19.179 -2.618 1.00 0.00 H ATOM 157 N SER A 205 9.361 -21.384 0.307 1.00 18.56 N ATOM 158 CA SER A 205 9.133 -21.538 1.731 1.00 22.79 C ATOM 159 C SER A 205 10.454 -21.755 2.468 1.00 24.35 C ATOM 160 O SER A 205 11.335 -22.490 1.993 1.00 26.11 O ATOM 161 CB SER A 205 8.167 -22.707 1.974 1.00 24.81 C ATOM 162 OG SER A 205 7.740 -22.659 3.324 1.00 31.02 O ATOM 163 HA SER A 205 8.683 -20.625 2.122 1.00 0.00 H ATOM 164 HB2 SER A 205 8.676 -23.652 1.781 1.00 0.00 H ATOM 165 HB3 SER A 205 7.306 -22.618 1.312 1.00 0.00 H ATOM 166 HG SER A 205 7.115 -23.407 3.498 1.00 0.00 H ATOM 167 H SER A 205 8.882 -22.013 -0.368 1.00 0.00 H ATOM 168 N TYR A 206 10.619 -21.101 3.607 1.00 22.49 N ATOM 169 CA TYR A 206 11.672 -21.468 4.546 1.00 22.54 C ATOM 170 C TYR A 206 11.370 -20.959 5.948 1.00 24.14 C ATOM 171 O TYR A 206 10.612 -19.991 6.114 1.00 22.22 O ATOM 172 CB TYR A 206 13.024 -20.941 4.036 1.00 23.90 C ATOM 173 CG TYR A 206 13.166 -19.421 4.004 1.00 21.23 C ATOM 174 CD1 TYR A 206 13.439 -18.701 5.172 1.00 22.52 C ATOM 175 CD2 TYR A 206 13.081 -18.717 2.797 1.00 20.61 C ATOM 176 CE1 TYR A 206 13.623 -17.324 5.153 1.00 21.76 C ATOM 177 CE2 TYR A 206 13.212 -17.321 2.764 1.00 21.96 C ATOM 178 CZ TYR A 206 13.494 -16.631 3.947 1.00 21.95 C ATOM 179 OH TYR A 206 13.659 -15.255 3.954 1.00 21.44 O ATOM 180 HA TYR A 206 11.721 -22.555 4.610 1.00 0.00 H ATOM 181 HB3 TYR A 206 13.169 -21.314 3.022 1.00 0.00 H ATOM 182 HB2 TYR A 206 13.806 -21.338 4.683 1.00 0.00 H ATOM 183 HD2 TYR A 206 12.910 -19.262 1.869 1.00 0.00 H ATOM 184 HE2 TYR A 206 13.095 -16.779 1.825 1.00 0.00 H ATOM 185 HE1 TYR A 206 13.866 -16.789 6.071 1.00 0.00 H ATOM 186 HD1 TYR A 206 13.509 -19.234 6.120 1.00 0.00 H ATOM 187 HH TYR A 206 13.851 -14.952 4.877 1.00 0.00 H ATOM 188 H TYR A 206 9.985 -20.309 3.837 1.00 0.00 H ATOM 189 N GLY A 207 11.950 -21.619 6.955 1.00 24.31 N ATOM 190 CA GLY A 207 11.776 -21.208 8.350 1.00 23.81 C ATOM 191 C GLY A 207 10.291 -21.181 8.680 1.00 23.43 C ATOM 192 O GLY A 207 9.507 -21.933 8.090 1.00 23.72 O ATOM 193 HA3 GLY A 207 12.200 -20.214 8.494 1.00 0.00 H ATOM 194 HA2 GLY A 207 12.283 -21.916 9.005 1.00 0.00 H ATOM 195 H GLY A 207 12.541 -22.448 6.742 1.00 0.00 H ATOM 196 N GLU A 208 9.902 -20.321 9.616 1.00 20.53 N ATOM 197 CA GLU A 208 8.509 -20.298 10.042 1.00 20.57 C ATOM 198 C GLU A 208 7.756 -19.355 9.127 1.00 20.11 C ATOM 199 O GLU A 208 8.239 -18.244 8.848 1.00 20.09 O ATOM 200 CB GLU A 208 8.376 -19.761 11.460 1.00 22.28 C ATOM 201 CG GLU A 208 8.840 -20.761 12.492 1.00 32.68 C ATOM 202 CD GLU A 208 8.408 -20.360 13.889 1.00 42.61 C ATOM 203 OE1 GLU A 208 7.332 -20.819 14.350 1.00 45.10 O ATOM 204 OE2 GLU A 208 9.152 -19.577 14.516 1.00 48.29 O ATOM 205 HA GLU A 208 8.116 -21.314 10.005 1.00 0.00 H ATOM 206 HB2 GLU A 208 8.977 -18.856 11.551 1.00 0.00 H ATOM 207 HB3 GLU A 208 7.330 -19.521 11.648 1.00 0.00 H ATOM 208 HG2 GLU A 208 8.415 -21.737 12.256 1.00 0.00 H ATOM 209 HG3 GLU A 208 9.928 -20.823 12.462 1.00 0.00 H ATOM 210 H GLU A 208 10.589 -19.667 10.042 1.00 0.00 H ATOM 211 N MET A 209 6.559 -19.772 8.721 1.00 19.39 N ATOM 212 CA MET A 209 5.715 -18.907 7.910 1.00 18.75 C ATOM 213 C MET A 209 4.381 -18.617 8.571 1.00 19.58 C ATOM 214 O MET A 209 3.866 -19.436 9.329 1.00 19.09 O ATOM 215 CB MET A 209 5.339 -19.603 6.613 1.00 21.34 C ATOM 216 CG MET A 209 6.402 -20.461 6.001 1.00 29.26 C ATOM 217 SD MET A 209 7.446 -19.476 4.979 1.00 31.16 S ATOM 218 CE MET A 209 6.405 -18.947 3.601 1.00 27.10 C ATOM 219 HA MET A 209 6.294 -17.995 7.763 1.00 0.00 H ATOM 220 HB2 MET A 209 4.473 -20.234 6.811 1.00 0.00 H ATOM 221 HB3 MET A 209 5.070 -18.836 5.887 1.00 0.00 H ATOM 222 HG2 MET A 209 5.936 -21.241 5.399 1.00 0.00 H ATOM 223 HG3 MET A 209 6.997 -20.920 6.791 1.00 0.00 H ATOM 224 HE1 MET A 209 6.036 -19.824 3.069 1.00 0.00 H ATOM 225 HE2 MET A 209 5.562 -18.372 3.984 1.00 0.00 H ATOM 226 HE3 MET A 209 6.991 -18.328 2.922 1.00 0.00 H ATOM 227 H MET A 209 6.225 -20.721 8.985 1.00 0.00 H ATOM 228 N ILE A 210 3.784 -17.487 8.211 1.00 18.62 N ATOM 229 CA ILE A 210 2.500 -17.080 8.829 1.00 17.53 C ATOM 230 C ILE A 210 1.487 -16.819 7.741 1.00 17.50 C ATOM 231 O ILE A 210 1.851 -16.294 6.666 1.00 17.55 O ATOM 232 CB ILE A 210 2.685 -15.863 9.740 1.00 18.08 C ATOM 233 CG1 ILE A 210 1.386 -15.510 10.480 1.00 23.80 C ATOM 234 CG2 ILE A 210 3.289 -14.636 8.996 1.00 15.22 C ATOM 235 CD1 ILE A 210 1.613 -14.396 11.510 1.00 24.93 C ATOM 236 HA ILE A 210 2.132 -17.888 9.462 1.00 0.00 H ATOM 237 HB ILE A 210 3.421 -16.147 10.492 1.00 0.00 H ATOM 238 HG12 ILE A 210 0.644 -15.177 9.755 1.00 0.00 H ATOM 239 HG13 ILE A 210 1.017 -16.398 10.993 1.00 0.00 H ATOM 240 HD11 ILE A 210 2.350 -14.725 12.242 1.00 0.00 H ATOM 241 HD12 ILE A 210 1.976 -13.502 11.003 1.00 0.00 H ATOM 242 HD13 ILE A 210 0.673 -14.172 12.014 1.00 0.00 H ATOM 243 HG21 ILE A 210 4.266 -14.902 8.593 1.00 0.00 H ATOM 244 HG22 ILE A 210 2.626 -14.344 8.181 1.00 0.00 H ATOM 245 HG23 ILE A 210 3.396 -13.806 9.694 1.00 0.00 H ATOM 246 H ILE A 210 4.222 -16.881 7.488 1.00 0.00 H ATOM 247 N GLY A 211 0.239 -17.217 7.988 1.00 16.03 N ATOM 248 CA GLY A 211 -0.784 -17.041 6.944 1.00 16.30 C ATOM 249 C GLY A 211 -1.674 -15.821 7.193 1.00 17.85 C ATOM 250 O GLY A 211 -2.048 -15.528 8.336 1.00 19.25 O ATOM 251 HA3 GLY A 211 -1.412 -17.932 6.916 1.00 0.00 H ATOM 252 HA2 GLY A 211 -0.285 -16.919 5.983 1.00 0.00 H ATOM 253 H GLY A 211 -0.008 -17.645 8.903 1.00 0.00 H ATOM 254 N CYS A 212 -1.997 -15.088 6.131 1.00 16.27 N ATOM 255 CA CYS A 212 -2.805 -13.889 6.250 1.00 16.42 C ATOM 256 C CYS A 212 -4.267 -14.327 6.346 1.00 14.97 C ATOM 257 O CYS A 212 -4.692 -15.253 5.660 1.00 17.83 O ATOM 258 CB CYS A 212 -2.574 -12.977 5.033 1.00 18.31 C ATOM 259 SG CYS A 212 -3.669 -11.514 5.069 1.00 18.78 S ATOM 260 HA CYS A 212 -2.532 -13.319 7.138 1.00 0.00 H ATOM 261 HB2 CYS A 212 -2.771 -13.544 4.123 1.00 0.00 H ATOM 262 HB3 CYS A 212 -1.537 -12.643 5.033 1.00 0.00 H ATOM 263 HG CYS A 212 -3.424 -10.730 3.960 1.00 0.00 H ATOM 264 H CYS A 212 -1.662 -15.382 5.191 1.00 0.00 H ATOM 265 N ASP A 213 -5.000 -13.734 7.278 1.00 16.30 N ATOM 266 CA ASP A 213 -6.396 -14.134 7.495 1.00 16.97 C ATOM 267 C ASP A 213 -7.442 -13.454 6.589 1.00 18.15 C ATOM 268 O ASP A 213 -8.657 -13.675 6.736 1.00 19.64 O ATOM 269 CB ASP A 213 -6.742 -14.016 8.983 1.00 17.55 C ATOM 270 CG ASP A 213 -6.133 -15.149 9.783 1.00 19.35 C ATOM 271 OD1 ASP A 213 -5.578 -14.895 10.870 1.00 23.65 O ATOM 272 OD2 ASP A 213 -6.141 -16.297 9.278 1.00 23.30 O ATOM 273 HA ASP A 213 -6.457 -15.177 7.184 1.00 0.00 H ATOM 274 HB2 ASP A 213 -6.360 -13.068 9.362 1.00 0.00 H ATOM 275 HB3 ASP A 213 -7.826 -14.042 9.099 1.00 0.00 H ATOM 276 H ASP A 213 -4.583 -12.980 7.860 1.00 0.00 H ATOM 277 N ASN A 214 -6.987 -12.672 5.612 1.00 17.37 N ATOM 278 CA ASN A 214 -7.911 -12.187 4.597 1.00 18.05 C ATOM 279 C ASN A 214 -7.992 -13.270 3.524 1.00 17.76 C ATOM 280 O ASN A 214 -6.995 -13.530 2.847 1.00 19.25 O ATOM 281 CB ASN A 214 -7.361 -10.878 4.003 1.00 17.49 C ATOM 282 CG ASN A 214 -8.154 -10.411 2.800 1.00 19.52 C ATOM 283 OD1 ASN A 214 -9.282 -10.876 2.582 1.00 21.92 O ATOM 284 ND2 ASN A 214 -7.566 -9.521 2.000 1.00 22.26 N ATOM 285 HA ASN A 214 -8.900 -11.985 5.009 1.00 0.00 H ATOM 286 HB2 ASN A 214 -7.398 -10.103 4.769 1.00 0.00 H ATOM 287 HB3 ASN A 214 -6.326 -11.039 3.700 1.00 0.00 H ATOM 288 HD22 ASN A 214 -6.617 -9.163 2.230 1.00 0.00 H ATOM 289 HD21 ASN A 214 -8.056 -9.185 1.146 1.00 0.00 H ATOM 290 H ASN A 214 -5.981 -12.410 5.574 1.00 0.00 H ATOM 291 N PRO A 215 -9.162 -13.914 3.361 1.00 17.73 N ATOM 292 CA PRO A 215 -9.240 -15.040 2.430 1.00 21.53 C ATOM 293 C PRO A 215 -8.939 -14.558 1.015 1.00 22.18 C ATOM 294 O PRO A 215 -8.582 -15.375 0.185 1.00 23.82 O ATOM 295 CB PRO A 215 -10.708 -15.487 2.521 1.00 25.26 C ATOM 296 CG PRO A 215 -11.215 -14.902 3.749 1.00 24.22 C ATOM 297 CD PRO A 215 -10.458 -13.646 4.001 1.00 19.78 C ATOM 298 HA PRO A 215 -8.534 -15.837 2.663 1.00 0.00 H ATOM 299 HD3 PRO A 215 -10.953 -12.790 3.543 1.00 0.00 H ATOM 300 HD2 PRO A 215 -10.339 -13.466 5.069 1.00 0.00 H ATOM 301 HG3 PRO A 215 -11.070 -15.595 4.578 1.00 0.00 H ATOM 302 HG2 PRO A 215 -12.277 -14.680 3.644 1.00 0.00 H ATOM 303 HB2 PRO A 215 -11.272 -15.121 1.663 1.00 0.00 H ATOM 304 HB3 PRO A 215 -10.774 -16.574 2.561 1.00 0.00 H ATOM 305 N ASP A 216 -8.985 -13.249 0.765 1.00 20.50 N ATOM 306 CA ASP A 216 -8.777 -12.730 -0.599 1.00 23.86 C ATOM 307 C ASP A 216 -7.345 -12.236 -0.778 1.00 24.73 C ATOM 308 O ASP A 216 -7.023 -11.564 -1.747 1.00 25.02 O ATOM 309 CB ASP A 216 -9.705 -11.543 -0.895 1.00 25.01 C ATOM 310 CG ASP A 216 -11.182 -11.932 -0.922 1.00 26.77 C ATOM 311 OD1 ASP A 216 -11.486 -13.130 -1.080 1.00 28.35 O ATOM 312 OD2 ASP A 216 -12.056 -11.040 -0.792 1.00 28.26 O ATOM 313 HA ASP A 216 -8.991 -13.554 -1.280 1.00 0.00 H ATOM 314 HB2 ASP A 216 -9.559 -10.787 -0.124 1.00 0.00 H ATOM 315 HB3 ASP A 216 -9.437 -11.126 -1.866 1.00 0.00 H ATOM 316 H ASP A 216 -9.170 -12.585 1.543 1.00 0.00 H ATOM 317 N CYS A 217 -6.484 -12.541 0.173 1.00 22.17 N ATOM 318 CA CYS A 217 -5.131 -12.033 0.132 1.00 22.22 C ATOM 319 C CYS A 217 -4.431 -12.607 -1.098 1.00 21.07 C ATOM 320 O CYS A 217 -4.593 -13.786 -1.408 1.00 23.73 O ATOM 321 CB CYS A 217 -4.374 -12.536 1.363 1.00 17.92 C ATOM 322 SG CYS A 217 -2.657 -11.939 1.397 1.00 22.41 S ATOM 323 HA CYS A 217 -5.149 -10.944 0.104 1.00 0.00 H ATOM 324 HB2 CYS A 217 -4.368 -13.626 1.352 1.00 0.00 H ATOM 325 HB3 CYS A 217 -4.886 -12.186 2.259 1.00 0.00 H ATOM 326 HG CYS A 217 -2.026 -12.422 2.525 1.00 0.00 H ATOM 327 H CYS A 217 -6.781 -13.153 0.960 1.00 0.00 H ATOM 328 N SER A 218 -3.620 -11.803 -1.769 1.00 25.29 N ATOM 329 CA SER A 218 -3.009 -12.272 -3.037 1.00 27.76 C ATOM 330 C SER A 218 -1.727 -13.077 -2.784 1.00 26.12 C ATOM 331 O SER A 218 -1.167 -13.692 -3.694 1.00 28.19 O ATOM 332 CB SER A 218 -2.696 -11.087 -3.956 1.00 28.26 C ATOM 333 OG SER A 218 -1.825 -10.152 -3.337 1.00 33.47 O ATOM 334 HA SER A 218 -3.735 -12.925 -3.522 1.00 0.00 H ATOM 335 HB2 SER A 218 -3.628 -10.584 -4.213 1.00 0.00 H ATOM 336 HB3 SER A 218 -2.224 -11.461 -4.865 1.00 0.00 H ATOM 337 HG SER A 218 -1.648 -9.404 -3.961 1.00 0.00 H ATOM 338 H SER A 218 -3.413 -10.849 -1.409 1.00 0.00 H ATOM 339 N ILE A 219 -1.248 -13.044 -1.547 1.00 22.95 N ATOM 340 CA ILE A 219 0.029 -13.685 -1.225 1.00 22.72 C ATOM 341 C ILE A 219 -0.098 -14.869 -0.273 1.00 22.99 C ATOM 342 O ILE A 219 0.576 -15.900 -0.448 1.00 22.36 O ATOM 343 CB ILE A 219 1.033 -12.674 -0.678 1.00 22.29 C ATOM 344 CG1 ILE A 219 1.324 -11.593 -1.717 1.00 28.94 C ATOM 345 CG2 ILE A 219 2.334 -13.369 -0.237 1.00 21.47 C ATOM 346 CD1 ILE A 219 2.168 -10.532 -1.131 1.00 28.78 C ATOM 347 HA ILE A 219 0.397 -14.085 -2.170 1.00 0.00 H ATOM 348 HB ILE A 219 0.592 -12.200 0.199 1.00 0.00 H ATOM 349 HG12 ILE A 219 1.844 -12.039 -2.565 1.00 0.00 H ATOM 350 HG13 ILE A 219 0.384 -11.158 -2.057 1.00 0.00 H ATOM 351 HD11 ILE A 219 1.649 -10.082 -0.285 1.00 0.00 H ATOM 352 HD12 ILE A 219 3.110 -10.964 -0.793 1.00 0.00 H ATOM 353 HD13 ILE A 219 2.366 -9.770 -1.884 1.00 0.00 H ATOM 354 HG21 ILE A 219 2.110 -14.096 0.544 1.00 0.00 H ATOM 355 HG22 ILE A 219 2.780 -13.878 -1.091 1.00 0.00 H ATOM 356 HG23 ILE A 219 3.030 -12.624 0.148 1.00 0.00 H ATOM 357 H ILE A 219 -1.784 -12.559 -0.800 1.00 0.00 H ATOM 358 N GLU A 220 -0.948 -14.693 0.742 1.00 20.06 N ATOM 359 CA GLU A 220 -1.401 -15.760 1.633 1.00 18.52 C ATOM 360 C GLU A 220 -0.438 -16.189 2.714 1.00 18.17 C ATOM 361 O GLU A 220 -0.876 -16.406 3.860 1.00 20.45 O ATOM 362 CB GLU A 220 -1.905 -16.999 0.886 1.00 21.86 C ATOM 363 CG GLU A 220 -3.084 -16.680 -0.061 1.00 28.63 C ATOM 364 CD GLU A 220 -3.789 -17.946 -0.578 1.00 39.57 C ATOM 365 OE1 GLU A 220 -3.313 -19.068 -0.328 1.00 44.93 O ATOM 366 OE2 GLU A 220 -4.846 -17.820 -1.221 1.00 47.56 O ATOM 367 HA GLU A 220 -2.231 -15.273 2.144 1.00 0.00 H ATOM 368 HB2 GLU A 220 -1.085 -17.410 0.297 1.00 0.00 H ATOM 369 HB3 GLU A 220 -2.233 -17.739 1.616 1.00 0.00 H ATOM 370 HG2 GLU A 220 -3.810 -16.072 0.478 1.00 0.00 H ATOM 371 HG3 GLU A 220 -2.704 -16.119 -0.915 1.00 0.00 H ATOM 372 H GLU A 220 -1.312 -13.733 0.910 1.00 0.00 H ATOM 373 N TRP A 221 0.829 -16.399 2.342 1.00 18.31 N ATOM 374 CA TRP A 221 1.828 -16.952 3.279 1.00 18.62 C ATOM 375 C TRP A 221 3.080 -16.092 3.225 1.00 16.34 C ATOM 376 O TRP A 221 3.493 -15.677 2.132 1.00 16.58 O ATOM 377 CB TRP A 221 2.209 -18.424 2.974 1.00 19.77 C ATOM 378 CG TRP A 221 1.107 -19.359 3.296 1.00 19.22 C ATOM 379 CD1 TRP A 221 0.183 -19.877 2.425 1.00 21.77 C ATOM 380 CD2 TRP A 221 0.754 -19.827 4.597 1.00 19.88 C ATOM 381 NE1 TRP A 221 -0.722 -20.667 3.117 1.00 22.80 N ATOM 382 CE2 TRP A 221 -0.394 -20.640 4.451 1.00 21.59 C ATOM 383 CE3 TRP A 221 1.312 -19.655 5.873 1.00 20.25 C ATOM 384 CZ2 TRP A 221 -0.981 -21.298 5.520 1.00 19.89 C ATOM 385 CZ3 TRP A 221 0.708 -20.303 6.957 1.00 23.38 C ATOM 386 CH2 TRP A 221 -0.434 -21.113 6.768 1.00 22.14 C ATOM 387 HA TRP A 221 1.378 -16.942 4.272 1.00 0.00 H ATOM 388 HB2 TRP A 221 2.449 -18.514 1.915 1.00 0.00 H ATOM 389 HB3 TRP A 221 3.083 -18.692 3.567 1.00 0.00 H ATOM 390 HE1 TRP A 221 -1.516 -21.192 2.697 1.00 0.00 H ATOM 391 HD1 TRP A 221 0.163 -19.695 1.350 1.00 0.00 H ATOM 392 HZ2 TRP A 221 -1.849 -21.942 5.376 1.00 0.00 H ATOM 393 HH2 TRP A 221 -0.891 -21.601 7.629 1.00 0.00 H ATOM 394 HZ3 TRP A 221 1.123 -20.181 7.957 1.00 0.00 H ATOM 395 HE3 TRP A 221 2.195 -19.032 6.017 1.00 0.00 H ATOM 396 H TRP A 221 1.118 -16.168 1.370 1.00 0.00 H ATOM 397 N PHE A 222 3.679 -15.837 4.391 1.00 13.86 N ATOM 398 CA PHE A 222 4.772 -14.884 4.519 1.00 14.66 C ATOM 399 C PHE A 222 5.863 -15.449 5.425 1.00 16.36 C ATOM 400 O PHE A 222 5.565 -16.054 6.439 1.00 16.73 O ATOM 401 CB PHE A 222 4.239 -13.607 5.171 1.00 15.06 C ATOM 402 CG PHE A 222 3.217 -12.897 4.333 1.00 15.64 C ATOM 403 CD1 PHE A 222 1.893 -13.325 4.325 1.00 17.98 C ATOM 404 CD2 PHE A 222 3.594 -11.858 3.505 1.00 20.53 C ATOM 405 CE1 PHE A 222 0.942 -12.719 3.519 1.00 17.70 C ATOM 406 CE2 PHE A 222 2.652 -11.249 2.692 1.00 22.44 C ATOM 407 CZ PHE A 222 1.331 -11.673 2.708 1.00 19.42 C ATOM 408 HA PHE A 222 5.181 -14.682 3.529 1.00 0.00 H ATOM 409 HB2 PHE A 222 3.783 -13.870 6.125 1.00 0.00 H ATOM 410 HB3 PHE A 222 5.076 -12.931 5.344 1.00 0.00 H ATOM 411 HD2 PHE A 222 4.630 -11.518 3.491 1.00 0.00 H ATOM 412 HE2 PHE A 222 2.950 -10.432 2.036 1.00 0.00 H ATOM 413 HZ PHE A 222 0.595 -11.176 2.075 1.00 0.00 H ATOM 414 HE1 PHE A 222 -0.093 -13.062 3.526 1.00 0.00 H ATOM 415 HD1 PHE A 222 1.597 -14.155 4.967 1.00 0.00 H ATOM 416 H PHE A 222 3.352 -16.339 5.241 1.00 0.00 H ATOM 417 N HIS A 223 7.121 -15.177 5.123 1.00 15.35 N ATOM 418 CA HIS A 223 8.207 -15.517 6.066 1.00 14.06 C ATOM 419 C HIS A 223 8.122 -14.592 7.278 1.00 15.99 C ATOM 420 O HIS A 223 7.961 -13.341 7.136 1.00 17.38 O ATOM 421 CB HIS A 223 9.569 -15.307 5.397 1.00 12.04 C ATOM 422 CG HIS A 223 9.731 -16.057 4.111 1.00 16.44 C ATOM 423 ND1 HIS A 223 9.665 -15.438 2.884 1.00 13.73 N ATOM 424 CD2 HIS A 223 9.943 -17.376 3.863 1.00 18.15 C ATOM 425 CE1 HIS A 223 9.848 -16.338 1.931 1.00 15.30 C ATOM 426 NE2 HIS A 223 10.007 -17.524 2.494 1.00 16.64 N ATOM 427 HA HIS A 223 8.101 -16.559 6.367 1.00 0.00 H ATOM 428 HB2 HIS A 223 9.692 -14.243 5.193 1.00 0.00 H ATOM 429 HB3 HIS A 223 10.346 -15.636 6.087 1.00 0.00 H ATOM 430 HD2 HIS A 223 10.043 -18.167 4.606 1.00 0.00 H ATOM 431 HE1 HIS A 223 9.865 -16.135 0.860 1.00 0.00 H ATOM 432 H HIS A 223 7.348 -14.721 4.216 1.00 0.00 H ATOM 433 N PHE A 224 8.292 -15.157 8.471 1.00 15.66 N ATOM 434 CA PHE A 224 8.164 -14.339 9.686 1.00 17.45 C ATOM 435 C PHE A 224 8.992 -13.059 9.557 1.00 17.44 C ATOM 436 O PHE A 224 8.507 -11.966 9.834 1.00 19.14 O ATOM 437 CB PHE A 224 8.708 -15.095 10.922 1.00 16.77 C ATOM 438 CG PHE A 224 7.666 -15.881 11.682 1.00 20.51 C ATOM 439 CD1 PHE A 224 7.858 -16.183 13.039 1.00 19.60 C ATOM 440 CD2 PHE A 224 6.522 -16.336 11.058 1.00 21.02 C ATOM 441 CE1 PHE A 224 6.923 -16.904 13.747 1.00 19.28 C ATOM 442 CE2 PHE A 224 5.561 -17.062 11.764 1.00 24.68 C ATOM 443 CZ PHE A 224 5.778 -17.357 13.125 1.00 21.07 C ATOM 444 HA PHE A 224 7.104 -14.114 9.807 1.00 0.00 H ATOM 445 HB2 PHE A 224 9.480 -15.788 10.586 1.00 0.00 H ATOM 446 HB3 PHE A 224 9.148 -14.365 11.602 1.00 0.00 H ATOM 447 HD2 PHE A 224 6.367 -16.126 10.000 1.00 0.00 H ATOM 448 HE2 PHE A 224 4.651 -17.398 11.267 1.00 0.00 H ATOM 449 HZ PHE A 224 5.045 -17.940 13.683 1.00 0.00 H ATOM 450 HE1 PHE A 224 7.088 -17.118 14.803 1.00 0.00 H ATOM 451 HD1 PHE A 224 8.763 -15.841 13.541 1.00 0.00 H ATOM 452 H PHE A 224 8.514 -16.170 8.543 1.00 0.00 H ATOM 453 N ALA A 225 10.250 -13.177 9.152 1.00 19.76 N ATOM 454 CA ALA A 225 11.136 -12.000 9.236 1.00 21.97 C ATOM 455 C ALA A 225 10.683 -10.934 8.231 1.00 21.61 C ATOM 456 O ALA A 225 10.811 -9.723 8.485 1.00 20.83 O ATOM 457 CB ALA A 225 12.572 -12.399 8.956 1.00 22.98 C ATOM 458 HA ALA A 225 11.079 -11.589 10.244 1.00 0.00 H ATOM 459 HB1 ALA A 225 12.892 -13.138 9.690 1.00 0.00 H ATOM 460 HB2 ALA A 225 12.641 -12.825 7.955 1.00 0.00 H ATOM 461 HB3 ALA A 225 13.212 -11.519 9.022 1.00 0.00 H ATOM 462 H ALA A 225 10.605 -14.082 8.782 1.00 0.00 H ATOM 463 N CYS A 226 10.146 -11.384 7.084 1.00 18.37 N ATOM 464 CA CYS A 226 9.689 -10.442 6.082 1.00 18.64 C ATOM 465 C CYS A 226 8.563 -9.530 6.588 1.00 18.07 C ATOM 466 O CYS A 226 8.376 -8.417 6.078 1.00 21.48 O ATOM 467 CB CYS A 226 9.306 -11.193 4.800 1.00 16.48 C ATOM 468 SG CYS A 226 10.750 -11.991 4.026 1.00 17.93 S ATOM 469 HA CYS A 226 10.514 -9.768 5.853 1.00 0.00 H ATOM 470 HB2 CYS A 226 8.872 -10.486 4.093 1.00 0.00 H ATOM 471 HB3 CYS A 226 8.569 -11.958 5.046 1.00 0.00 H ATOM 472 HG CYS A 226 11.303 -12.895 4.910 1.00 0.00 H ATOM 473 H CYS A 226 10.059 -12.407 6.916 1.00 0.00 H ATOM 474 N VAL A 227 7.796 -9.999 7.579 1.00 16.60 N ATOM 475 CA VAL A 227 6.713 -9.204 8.123 1.00 19.45 C ATOM 476 C VAL A 227 6.993 -8.777 9.559 1.00 22.71 C ATOM 477 O VAL A 227 6.046 -8.487 10.330 1.00 24.87 O ATOM 478 CB VAL A 227 5.332 -9.939 7.999 1.00 18.03 C ATOM 479 CG1 VAL A 227 4.884 -10.053 6.494 1.00 16.66 C ATOM 480 CG2 VAL A 227 5.408 -11.320 8.569 1.00 19.80 C ATOM 481 HA VAL A 227 6.650 -8.297 7.522 1.00 0.00 H ATOM 482 HB VAL A 227 4.606 -9.347 8.556 1.00 0.00 H ATOM 483 HG11 VAL A 227 4.788 -9.054 6.068 1.00 0.00 H ATOM 484 HG12 VAL A 227 5.631 -10.617 5.936 1.00 0.00 H ATOM 485 HG13 VAL A 227 3.924 -10.567 6.440 1.00 0.00 H ATOM 486 HG21 VAL A 227 6.160 -11.894 8.028 1.00 0.00 H ATOM 487 HG22 VAL A 227 5.681 -11.262 9.623 1.00 0.00 H ATOM 488 HG23 VAL A 227 4.438 -11.806 8.470 1.00 0.00 H ATOM 489 H VAL A 227 7.980 -10.947 7.964 1.00 0.00 H ATOM 490 N GLY A 228 8.284 -8.733 9.909 1.00 23.09 N ATOM 491 CA GLY A 228 8.731 -8.204 11.215 1.00 24.36 C ATOM 492 C GLY A 228 8.480 -9.051 12.452 1.00 23.97 C ATOM 493 O GLY A 228 8.438 -8.527 13.562 1.00 26.00 O ATOM 494 HA3 GLY A 228 8.227 -7.249 11.368 1.00 0.00 H ATOM 495 HA2 GLY A 228 9.806 -8.039 11.147 1.00 0.00 H ATOM 496 H GLY A 228 8.998 -9.083 9.239 1.00 0.00 H ATOM 497 N LEU A 229 8.313 -10.358 12.292 1.00 22.19 N ATOM 498 CA LEU A 229 7.951 -11.215 13.426 1.00 22.99 C ATOM 499 C LEU A 229 9.088 -12.091 13.858 1.00 25.24 C ATOM 500 O LEU A 229 9.813 -12.624 13.018 1.00 24.89 O ATOM 501 CB LEU A 229 6.786 -12.151 13.073 1.00 21.94 C ATOM 502 CG LEU A 229 5.523 -11.387 12.686 1.00 21.84 C ATOM 503 CD1 LEU A 229 4.464 -12.428 12.298 1.00 22.74 C ATOM 504 CD2 LEU A 229 5.022 -10.460 13.821 1.00 28.15 C ATOM 505 HA LEU A 229 7.674 -10.531 14.228 1.00 0.00 H ATOM 506 HB2 LEU A 229 7.085 -12.782 12.236 1.00 0.00 H ATOM 507 HB3 LEU A 229 6.566 -12.777 13.937 1.00 0.00 H ATOM 508 HG LEU A 229 5.735 -10.724 11.848 1.00 0.00 H ATOM 509 HD21 LEU A 229 4.797 -11.058 14.704 1.00 0.00 H ATOM 510 HD22 LEU A 229 5.796 -9.731 14.062 1.00 0.00 H ATOM 511 HD23 LEU A 229 4.122 -9.940 13.493 1.00 0.00 H ATOM 512 HD11 LEU A 229 4.828 -13.019 11.458 1.00 0.00 H ATOM 513 HD12 LEU A 229 4.272 -13.083 13.148 1.00 0.00 H ATOM 514 HD13 LEU A 229 3.543 -11.919 12.014 1.00 0.00 H ATOM 515 H LEU A 229 8.441 -10.780 11.350 1.00 0.00 H ATOM 516 N THR A 230 9.192 -12.294 15.171 1.00 26.33 N ATOM 517 CA THR A 230 10.064 -13.307 15.708 1.00 25.18 C ATOM 518 C THR A 230 9.254 -14.427 16.323 1.00 24.94 C ATOM 519 O THR A 230 9.657 -15.582 16.288 1.00 25.89 O ATOM 520 CB THR A 230 10.956 -12.726 16.810 1.00 28.31 C ATOM 521 OG1 THR A 230 11.723 -11.654 16.256 1.00 33.88 O ATOM 522 CG2 THR A 230 11.912 -13.790 17.273 1.00 33.55 C ATOM 523 HA THR A 230 10.674 -13.681 14.886 1.00 0.00 H ATOM 524 HB THR A 230 10.343 -12.376 17.640 1.00 0.00 H ATOM 525 HG1 THR A 230 11.111 -10.955 15.913 1.00 0.00 H ATOM 526 HG23 THR A 230 11.350 -14.620 17.701 1.00 0.00 H ATOM 527 HG21 THR A 230 12.498 -14.144 16.425 1.00 0.00 H ATOM 528 HG22 THR A 230 12.579 -13.374 18.028 1.00 0.00 H ATOM 529 H THR A 230 8.631 -11.708 15.822 1.00 0.00 H ATOM 530 N THR A 231 8.103 -14.103 16.895 1.00 24.58 N ATOM 531 CA THR A 231 7.290 -15.172 17.466 1.00 27.11 C ATOM 532 C THR A 231 5.841 -15.017 16.987 1.00 28.99 C ATOM 533 O THR A 231 5.404 -13.918 16.613 1.00 28.45 O ATOM 534 CB THR A 231 7.331 -15.137 19.026 1.00 28.21 C ATOM 535 OG1 THR A 231 6.899 -13.849 19.482 1.00 29.22 O ATOM 536 CG2 THR A 231 8.751 -15.378 19.535 1.00 28.07 C ATOM 537 HA THR A 231 7.694 -16.129 17.135 1.00 0.00 H ATOM 538 HB THR A 231 6.675 -15.920 19.405 1.00 0.00 H ATOM 539 HG1 THR A 231 5.974 -13.683 19.170 1.00 0.00 H ATOM 540 HG23 THR A 231 9.096 -16.355 19.197 1.00 0.00 H ATOM 541 HG21 THR A 231 9.412 -14.603 19.146 1.00 0.00 H ATOM 542 HG22 THR A 231 8.755 -15.347 20.625 1.00 0.00 H ATOM 543 H THR A 231 7.788 -13.113 16.936 1.00 0.00 H ATOM 544 N LYS A 232 5.100 -16.112 17.086 1.00 32.89 N ATOM 545 CA LYS A 232 3.697 -16.175 16.672 1.00 36.08 C ATOM 546 C LYS A 232 2.807 -15.190 17.441 1.00 34.45 C ATOM 547 O LYS A 232 2.797 -15.141 18.684 1.00 29.45 O ATOM 548 CB LYS A 232 3.228 -17.634 16.767 1.00 37.56 C ATOM 549 CG LYS A 232 1.819 -17.872 17.211 1.00 40.95 C ATOM 550 CD LYS A 232 1.587 -19.365 17.432 1.00 48.00 C ATOM 551 CE LYS A 232 0.619 -19.928 16.396 1.00 53.51 C ATOM 552 NZ LYS A 232 -0.202 -21.068 16.926 1.00 53.14 N ATOM 553 HA LYS A 232 3.608 -15.850 15.635 1.00 0.00 H ATOM 554 HB2 LYS A 232 3.340 -18.080 15.779 1.00 0.00 H ATOM 555 HB3 LYS A 232 3.885 -18.145 17.471 1.00 0.00 H ATOM 556 HG2 LYS A 232 1.638 -17.336 18.143 1.00 0.00 H ATOM 557 HG3 LYS A 232 1.133 -17.509 16.446 1.00 0.00 H ATOM 558 HD2 LYS A 232 2.539 -19.889 17.352 1.00 0.00 H ATOM 559 HD3 LYS A 232 1.172 -19.518 18.428 1.00 0.00 H ATOM 560 HE2 LYS A 232 1.192 -20.280 15.539 1.00 0.00 H ATOM 561 HE3 LYS A 232 -0.054 -19.132 16.079 1.00 0.00 H ATOM 562 HZ1 LYS A 232 0.429 -21.839 17.224 1.00 0.00 H ATOM 563 HZ2 LYS A 232 -0.761 -20.742 17.740 1.00 0.00 H ATOM 564 HZ3 LYS A 232 -0.841 -21.410 16.180 1.00 0.00 H ATOM 565 H LYS A 232 5.538 -16.970 17.478 1.00 0.00 H ATOM 566 N PRO A 233 2.067 -14.374 16.692 1.00 32.29 N ATOM 567 CA PRO A 233 1.057 -13.496 17.248 1.00 32.82 C ATOM 568 C PRO A 233 -0.141 -14.364 17.663 1.00 32.64 C ATOM 569 O PRO A 233 -0.357 -15.440 17.100 1.00 31.66 O ATOM 570 CB PRO A 233 0.679 -12.592 16.064 1.00 34.87 C ATOM 571 CG PRO A 233 1.665 -12.920 14.961 1.00 33.47 C ATOM 572 CD PRO A 233 2.139 -14.294 15.225 1.00 36.67 C ATOM 573 HA PRO A 233 1.380 -12.923 18.117 1.00 0.00 H ATOM 574 HD3 PRO A 233 1.489 -15.033 14.757 1.00 0.00 H ATOM 575 HD2 PRO A 233 3.160 -14.434 14.871 1.00 0.00 H ATOM 576 HG3 PRO A 233 2.501 -12.221 14.982 1.00 0.00 H ATOM 577 HG2 PRO A 233 1.175 -12.870 13.989 1.00 0.00 H ATOM 578 HB2 PRO A 233 -0.340 -12.801 15.737 1.00 0.00 H ATOM 579 HB3 PRO A 233 0.761 -11.542 16.346 1.00 0.00 H ATOM 580 N ARG A 234 -0.905 -13.910 18.644 1.00 31.63 N ATOM 581 CA ARG A 234 -2.127 -14.620 19.030 1.00 33.92 C ATOM 582 C ARG A 234 -3.312 -14.046 18.248 1.00 32.26 C ATOM 583 O ARG A 234 -3.347 -12.846 17.959 1.00 35.89 O ATOM 584 CB ARG A 234 -2.379 -14.449 20.519 1.00 36.20 C ATOM 585 HA ARG A 234 -2.012 -15.680 18.806 1.00 0.00 H ATOM 586 HB2 ARG A 234 -1.536 -14.855 21.078 1.00 0.00 H ATOM 587 HB3 ARG A 234 -2.492 -13.389 20.748 1.00 0.00 H ATOM 588 H ARG A 234 -0.635 -13.040 19.146 1.00 0.00 H ATOM 589 N GLY A 235 -4.294 -14.888 17.949 1.00 29.21 N ATOM 590 CA GLY A 235 -5.511 -14.447 17.261 1.00 29.71 C ATOM 591 C GLY A 235 -5.259 -14.141 15.791 1.00 28.73 C ATOM 592 O GLY A 235 -4.166 -14.383 15.281 1.00 27.03 O ATOM 593 HA3 GLY A 235 -5.884 -13.547 17.749 1.00 0.00 H ATOM 594 HA2 GLY A 235 -6.261 -15.235 17.333 1.00 0.00 H ATOM 595 H GLY A 235 -4.197 -15.890 18.211 1.00 0.00 H ATOM 596 N LYS A 236 -6.267 -13.604 15.100 1.00 28.14 N ATOM 597 CA LYS A 236 -6.170 -13.357 13.655 1.00 21.73 C ATOM 598 C LYS A 236 -5.059 -12.358 13.307 1.00 22.61 C ATOM 599 O LYS A 236 -4.780 -11.408 14.055 1.00 23.35 O ATOM 600 CB LYS A 236 -7.519 -12.847 13.141 1.00 22.41 C ATOM 601 CG LYS A 236 -8.670 -13.896 13.291 1.00 23.19 C ATOM 602 CD LYS A 236 -9.621 -13.782 12.131 1.00 38.18 C ATOM 603 CE LYS A 236 -10.793 -14.757 12.234 1.00 45.06 C ATOM 604 NZ LYS A 236 -11.466 -14.782 13.575 1.00 51.10 N ATOM 605 HA LYS A 236 -5.913 -14.298 13.169 1.00 0.00 H ATOM 606 HB2 LYS A 236 -7.789 -11.953 13.703 1.00 0.00 H ATOM 607 HB3 LYS A 236 -7.415 -12.594 12.086 1.00 0.00 H ATOM 608 HG2 LYS A 236 -8.244 -14.899 13.313 1.00 0.00 H ATOM 609 HG3 LYS A 236 -9.209 -13.711 14.220 1.00 0.00 H ATOM 610 HD2 LYS A 236 -10.014 -12.766 12.100 1.00 0.00 H ATOM 611 HD3 LYS A 236 -9.075 -13.988 11.210 1.00 0.00 H ATOM 612 HE2 LYS A 236 -10.422 -15.759 12.020 1.00 0.00 H ATOM 613 HE3 LYS A 236 -11.535 -14.478 11.486 1.00 0.00 H ATOM 614 HZ1 LYS A 236 -10.776 -15.059 14.302 1.00 0.00 H ATOM 615 HZ2 LYS A 236 -11.839 -13.836 13.792 1.00 0.00 H ATOM 616 HZ3 LYS A 236 -12.247 -15.468 13.557 1.00 0.00 H ATOM 617 H LYS A 236 -7.145 -13.354 15.598 1.00 0.00 H ATOM 618 N TRP A 237 -4.438 -12.561 12.144 1.00 20.17 N ATOM 619 CA TRP A 237 -3.347 -11.698 11.688 1.00 19.99 C ATOM 620 C TRP A 237 -3.564 -11.379 10.219 1.00 19.63 C ATOM 621 O TRP A 237 -3.917 -12.269 9.423 1.00 18.42 O ATOM 622 CB TRP A 237 -2.016 -12.430 11.852 1.00 21.05 C ATOM 623 CG TRP A 237 -0.800 -11.671 11.357 1.00 22.22 C ATOM 624 CD1 TRP A 237 -0.033 -10.751 12.051 1.00 20.55 C ATOM 625 CD2 TRP A 237 -0.220 -11.778 10.057 1.00 21.75 C ATOM 626 NE1 TRP A 237 0.990 -10.312 11.255 1.00 23.01 N ATOM 627 CE2 TRP A 237 0.907 -10.933 10.032 1.00 22.34 C ATOM 628 CE3 TRP A 237 -0.529 -12.530 8.918 1.00 22.95 C ATOM 629 CZ2 TRP A 237 1.710 -10.797 8.893 1.00 22.28 C ATOM 630 CZ3 TRP A 237 0.269 -12.381 7.772 1.00 21.03 C ATOM 631 CH2 TRP A 237 1.378 -11.521 7.776 1.00 23.38 C ATOM 632 HA TRP A 237 -3.329 -10.779 12.275 1.00 0.00 H ATOM 633 HB2 TRP A 237 -1.875 -12.641 12.912 1.00 0.00 H ATOM 634 HB3 TRP A 237 -2.076 -13.369 11.301 1.00 0.00 H ATOM 635 HE1 TRP A 237 1.715 -9.619 11.532 1.00 0.00 H ATOM 636 HD1 TRP A 237 -0.216 -10.426 13.075 1.00 0.00 H ATOM 637 HZ2 TRP A 237 2.575 -10.134 8.894 1.00 0.00 H ATOM 638 HH2 TRP A 237 1.986 -11.427 6.876 1.00 0.00 H ATOM 639 HZ3 TRP A 237 0.024 -12.940 6.869 1.00 0.00 H ATOM 640 HE3 TRP A 237 -1.374 -13.219 8.920 1.00 0.00 H ATOM 641 H TRP A 237 -4.738 -13.356 11.544 1.00 0.00 H ATOM 642 N PHE A 238 -3.370 -10.108 9.874 1.00 17.30 N ATOM 643 CA PHE A 238 -3.389 -9.698 8.483 1.00 18.39 C ATOM 644 C PHE A 238 -2.056 -9.096 8.048 1.00 21.98 C ATOM 645 O PHE A 238 -1.370 -8.409 8.821 1.00 23.32 O ATOM 646 CB PHE A 238 -4.518 -8.704 8.263 1.00 19.70 C ATOM 647 CG PHE A 238 -5.865 -9.257 8.621 1.00 16.52 C ATOM 648 CD1 PHE A 238 -6.321 -9.271 9.924 1.00 17.44 C ATOM 649 CD2 PHE A 238 -6.679 -9.787 7.633 1.00 20.69 C ATOM 650 CE1 PHE A 238 -7.574 -9.807 10.239 1.00 17.38 C ATOM 651 CE2 PHE A 238 -7.926 -10.322 7.952 1.00 18.05 C ATOM 652 CZ PHE A 238 -8.356 -10.363 9.258 1.00 15.43 C ATOM 653 HA PHE A 238 -3.556 -10.584 7.870 1.00 0.00 H ATOM 654 HB2 PHE A 238 -4.330 -7.823 8.877 1.00 0.00 H ATOM 655 HB3 PHE A 238 -4.528 -8.417 7.211 1.00 0.00 H ATOM 656 HD2 PHE A 238 -6.341 -9.786 6.597 1.00 0.00 H ATOM 657 HE2 PHE A 238 -8.566 -10.711 7.160 1.00 0.00 H ATOM 658 HZ PHE A 238 -9.307 -10.832 9.511 1.00 0.00 H ATOM 659 HE1 PHE A 238 -7.931 -9.783 11.269 1.00 0.00 H ATOM 660 HD1 PHE A 238 -5.697 -8.859 10.717 1.00 0.00 H ATOM 661 H PHE A 238 -3.202 -9.397 10.614 1.00 0.00 H ATOM 662 N CYS A 239 -1.704 -9.370 6.801 1.00 20.79 N ATOM 663 CA CYS A 239 -0.425 -8.924 6.232 1.00 22.73 C ATOM 664 C CYS A 239 -0.364 -7.413 5.980 1.00 24.78 C ATOM 665 O CYS A 239 -1.334 -6.675 6.145 1.00 23.70 O ATOM 666 CB CYS A 239 -0.117 -9.708 4.948 1.00 20.15 C ATOM 667 SG CYS A 239 -0.982 -9.148 3.495 1.00 22.86 S ATOM 668 HA CYS A 239 0.342 -9.133 6.978 1.00 0.00 H ATOM 669 HB2 CYS A 239 -0.382 -10.752 5.118 1.00 0.00 H ATOM 670 HB3 CYS A 239 0.953 -9.633 4.754 1.00 0.00 H ATOM 671 HG CYS A 239 -2.342 -9.250 3.703 1.00 0.00 H ATOM 672 H CYS A 239 -2.355 -9.919 6.204 1.00 0.00 H ATOM 673 N PRO A 240 0.800 -6.932 5.565 1.00 26.52 N ATOM 674 CA PRO A 240 0.923 -5.487 5.377 1.00 32.58 C ATOM 675 C PRO A 240 0.101 -4.991 4.206 1.00 32.03 C ATOM 676 O PRO A 240 -0.423 -3.882 4.266 1.00 39.08 O ATOM 677 HA PRO A 240 0.583 -4.985 6.283 1.00 0.00 H ATOM 678 N ARG A 241 -0.022 -5.776 3.138 1.00 30.89 N ATOM 679 CA ARG A 241 -0.862 -5.368 2.010 1.00 32.57 C ATOM 680 C ARG A 241 -2.347 -5.381 2.373 1.00 32.73 C ATOM 681 O ARG A 241 -3.124 -4.585 1.833 1.00 33.36 O ATOM 682 CB ARG A 241 -0.643 -6.248 0.792 1.00 35.13 C ATOM 683 CG ARG A 241 -1.546 -5.907 -0.368 1.00 42.14 C ATOM 684 CD ARG A 241 -1.383 -6.946 -1.462 1.00 53.72 C ATOM 685 NE ARG A 241 -2.663 -7.459 -1.942 1.00 63.71 N ATOM 686 CZ ARG A 241 -3.315 -6.972 -2.993 1.00 65.80 C ATOM 687 NH1 ARG A 241 -2.807 -5.949 -3.678 1.00 68.66 N ATOM 688 NH2 ARG A 241 -4.468 -7.515 -3.360 1.00 63.31 N ATOM 689 HA ARG A 241 -0.564 -4.348 1.768 1.00 0.00 H ATOM 690 HB2 ARG A 241 0.392 -6.138 0.468 1.00 0.00 H ATOM 691 HB3 ARG A 241 -0.824 -7.284 1.078 1.00 0.00 H ATOM 692 HG2 ARG A 241 -2.582 -5.895 -0.030 1.00 0.00 H ATOM 693 HG3 ARG A 241 -1.281 -4.924 -0.758 1.00 0.00 H ATOM 694 HD2 ARG A 241 -0.798 -7.778 -1.070 1.00 0.00 H ATOM 695 HD3 ARG A 241 -0.852 -6.492 -2.299 1.00 0.00 H ATOM 696 HE ARG A 241 -3.092 -8.256 -1.429 1.00 0.00 H ATOM 697 HH12 ARG A 241 -3.318 -5.569 -4.500 1.00 0.00 H ATOM 698 HH11 ARG A 241 -1.899 -5.530 -3.391 1.00 0.00 H ATOM 699 HH22 ARG A 241 -4.982 -7.138 -4.182 1.00 0.00 H ATOM 700 HH21 ARG A 241 -4.858 -8.318 -2.826 1.00 0.00 H ATOM 701 H ARG A 241 0.482 -6.685 3.104 1.00 0.00 H ATOM 702 N CYS A 242 -2.741 -6.283 3.266 1.00 30.30 N ATOM 703 CA CYS A 242 -4.141 -6.347 3.723 1.00 28.78 C ATOM 704 C CYS A 242 -4.452 -5.391 4.869 1.00 32.25 C ATOM 705 O CYS A 242 -5.598 -4.941 5.012 1.00 32.42 O ATOM 706 CB CYS A 242 -4.541 -7.810 4.045 1.00 25.67 C ATOM 707 SG CYS A 242 -4.440 -8.853 2.516 1.00 25.23 S ATOM 708 HA CYS A 242 -4.761 -6.000 2.897 1.00 0.00 H ATOM 709 HB2 CYS A 242 -5.562 -7.829 4.427 1.00 0.00 H ATOM 710 HB3 CYS A 242 -3.864 -8.211 4.800 1.00 0.00 H ATOM 711 HG CYS A 242 -4.799 -10.150 2.821 1.00 0.00 H ATOM 712 H CYS A 242 -2.048 -6.957 3.650 1.00 0.00 H ATOM 713 N SER A 243 -3.459 -5.100 5.703 1.00 34.86 N ATOM 714 CA SER A 243 -3.656 -4.211 6.848 1.00 37.52 C ATOM 715 C SER A 243 -3.758 -2.760 6.403 1.00 42.01 C ATOM 716 O SER A 243 -4.250 -1.928 7.151 1.00 43.41 O ATOM 717 CB SER A 243 -2.513 -4.331 7.842 1.00 36.95 C ATOM 718 OG SER A 243 -2.722 -5.467 8.642 1.00 38.43 O ATOM 719 HA SER A 243 -4.587 -4.515 7.326 1.00 0.00 H ATOM 720 HB2 SER A 243 -2.480 -3.441 8.471 1.00 0.00 H ATOM 721 HB3 SER A 243 -1.570 -4.430 7.305 1.00 0.00 H ATOM 722 HG SER A 243 -2.752 -6.273 8.068 1.00 0.00 H ATOM 723 H SER A 243 -2.519 -5.514 5.538 1.00 0.00 H ATOM 724 N GLN A 244 -3.322 -2.485 5.175 1.00 46.01 N ATOM 725 CA GLN A 244 -2.618 -1.245 4.807 1.00 51.07 C ATOM 726 C GLN A 244 -1.791 -0.628 5.936 1.00 52.84 C ATOM 727 O GLN A 244 -0.611 -0.958 6.106 1.00 54.69 O ATOM 728 CB GLN A 244 -3.536 -0.200 4.170 1.00 50.59 C ATOM 729 CG GLN A 244 -4.773 -0.747 3.488 1.00 52.55 C ATOM 730 CD GLN A 244 -4.505 -1.501 2.202 1.00 54.92 C ATOM 731 OE1 GLN A 244 -5.194 -2.479 1.901 1.00 53.21 O ATOM 732 NE2 GLN A 244 -3.534 -1.038 1.420 1.00 57.99 N ATOM 733 HA GLN A 244 -1.905 -1.569 4.049 1.00 0.00 H ATOM 734 HB2 GLN A 244 -3.860 0.485 4.953 1.00 0.00 H ATOM 735 HB3 GLN A 244 -2.957 0.348 3.427 1.00 0.00 H ATOM 736 HG2 GLN A 244 -5.272 -1.424 4.181 1.00 0.00 H ATOM 737 HG3 GLN A 244 -5.434 0.090 3.260 1.00 0.00 H ATOM 738 HE22 GLN A 244 -2.979 -0.210 1.715 1.00 0.00 H ATOM 739 HE21 GLN A 244 -3.330 -1.504 0.513 1.00 0.00 H ATOM 740 H GLN A 244 -3.489 -3.190 4.429 1.00 0.00 H TER 741 GLN A 244 HETATM 742 ZN ZN A 1 9.656 -13.360 2.539 1.00 18.51 ZN HETATM 743 ZN ZN A 2 -2.873 -10.419 3.188 1.00 21.23 ZN HETATM 744 O HOH 3 11.131 -21.629 -7.333 1.00 40.78 O HETATM 745 O HOH 4 8.360 -23.402 -1.447 1.00 32.43 O HETATM 746 O HOH 5 2.253 -18.963 -4.044 1.00 38.29 O HETATM 747 O HOH 6 6.923 -18.713 -8.470 1.00 38.43 O HETATM 748 O HOH 7 5.443 -15.446 -5.432 1.00 24.28 O HETATM 749 O HOH 8 5.831 -24.959 -0.581 1.00 42.06 O HETATM 750 O HOH 9 4.317 -14.102 -3.351 1.00 25.08 O HETATM 751 O HOH 10 11.322 -14.881 -7.293 1.00 38.49 O HETATM 752 O HOH 11 8.244 -8.953 -7.660 1.00 24.89 O HETATM 753 O HOH 12 13.363 -14.577 -6.596 1.00 62.02 O HETATM 754 O HOH 13 12.573 -24.589 0.951 1.00 43.66 O HETATM 755 O HOH 14 12.574 -19.328 -6.471 1.00 29.30 O HETATM 756 O HOH 15 12.670 -13.823 5.943 1.00 24.03 O HETATM 757 O HOH 16 10.641 -17.783 7.641 1.00 20.98 O HETATM 758 O HOH 17 13.536 -14.087 1.479 1.00 22.38 O HETATM 759 O HOH 18 11.830 -18.605 11.079 1.00 28.48 O HETATM 760 O HOH 19 5.227 -19.949 15.998 1.00 35.64 O HETATM 761 O HOH 20 11.873 -16.928 -8.624 1.00 27.56 O HETATM 762 O HOH 21 -3.004 -16.171 10.708 1.00 21.42 O HETATM 763 O HOH 22 -4.956 -15.615 2.948 1.00 21.59 O HETATM 764 O HOH 23 -9.885 -16.009 7.458 1.00 26.15 O HETATM 765 O HOH 24 -10.635 -15.152 7.271 1.00 63.73 O HETATM 766 O HOH 25 -8.468 -17.236 9.391 1.00 38.80 O HETATM 767 O HOH 26 -6.186 -17.245 12.518 1.00 30.64 O HETATM 768 O HOH 27 -7.542 -8.163 -0.382 1.00 43.78 O HETATM 769 O HOH 28 -6.682 -15.709 -1.793 1.00 42.63 O HETATM 770 O HOH 29 -12.378 -16.243 -0.433 1.00 37.42 O HETATM 771 O HOH 30 -11.132 -8.344 -1.386 1.00 32.96 O HETATM 772 O HOH 31 -13.817 -14.180 -0.082 1.00 38.10 O HETATM 773 O HOH 32 -11.998 -8.865 -1.467 1.00 26.19 O HETATM 774 O HOH 33 14.148 -15.525 9.411 1.00 20.77 O HETATM 775 O HOH 34 12.103 -9.061 12.759 1.00 42.31 O HETATM 776 O HOH 35 15.386 -9.512 9.772 1.00 37.26 O HETATM 777 O HOH 36 12.386 -7.809 12.212 1.00 26.25 O HETATM 778 O HOH 37 -1.776 -8.202 -6.295 1.00 47.70 O HETATM 779 O HOH 38 2.347 -15.923 -2.548 1.00 30.42 O HETATM 780 O HOH 39 0.168 -18.667 -2.054 1.00 41.41 O HETATM 781 O HOH 40 -5.855 -17.788 1.827 1.00 34.22 O HETATM 782 O HOH 41 -3.287 -21.964 2.664 1.00 40.76 O HETATM 783 O HOH 42 12.666 -8.376 9.875 1.00 27.51 O HETATM 784 O HOH 43 12.371 -9.746 8.354 1.00 30.13 O HETATM 785 O HOH 44 11.913 -15.289 8.184 1.00 22.83 O HETATM 786 O HOH 45 6.732 -6.196 5.720 1.00 33.13 O HETATM 787 O HOH 46 3.350 -8.388 11.134 1.00 26.66 O HETATM 788 O HOH 47 7.617 -10.994 16.954 1.00 32.13 O HETATM 789 O HOH 48 10.344 -9.417 16.039 1.00 40.26 O HETATM 790 O HOH 49 4.002 -16.058 20.591 1.00 43.69 O HETATM 791 O HOH 50 4.288 -13.623 20.339 1.00 32.58 O HETATM 792 O HOH 51 6.051 -18.235 17.564 1.00 25.82 O HETATM 793 O HOH 52 -6.152 -10.180 16.235 1.00 40.41 O HETATM 794 O HOH 53 -2.433 -11.583 15.379 1.00 37.78 O HETATM 795 O HOH 54 0.751 -6.903 8.942 1.00 39.02 O HETATM 796 O HOH 55 -2.214 -7.952 11.536 1.00 32.47 O HETATM 797 O HOH 56 2.215 -7.607 5.666 1.00 36.52 O HETATM 798 O HOH 57 1.509 -7.923 1.573 1.00 57.07 O HETATM 799 O HOH 58 -7.811 -6.107 3.924 1.00 26.09 O HETATM 800 O HOH 59 -7.147 -2.647 4.660 1.00 47.70 O HETATM 801 O HOH 60 -7.114 -0.488 1.061 1.00 47.44 O HETATM 802 O HOH 61 -6.506 -3.334 0.497 1.00 51.61 O HETATM 803 O HOH 62 1.891 -9.293 -5.955 1.00 40.76 O HETATM 804 O HOH 63 -3.658 -18.237 18.011 1.00 51.83 O HETATM 805 O HOH 64 -5.093 -18.090 14.935 1.00 44.81 O HETATM 806 O HOH 65 -3.167 -18.278 4.728 1.00 22.96 O HETATM 807 O HOH 66 -3.978 -22.780 7.945 1.00 35.64 O HETATM 808 O HOH 67 4.332 -26.856 10.692 1.00 45.06 O HETATM 809 O HOH 68 11.227 -24.719 9.557 1.00 45.61 O HETATM 810 O HOH 69 -4.816 -20.983 14.815 1.00 42.56 O HETATM 811 O HOH 70 -3.672 -22.827 13.655 1.00 42.75 O HETATM 812 N ALA A 71 -2.740 -16.779 15.590 1.00 0.24 N HETATM 813 CA ALA A 71 -2.372 -16.776 14.140 1.00 0.06 C HETATM 814 CB ALA A 71 -1.272 -15.746 13.865 1.00 -0.00 C HETATM 815 H5 ALA A 71 -1.016 -15.759 12.795 1.00 0.03 H HETATM 816 H6 ALA A 71 -0.380 -15.995 14.458 1.00 0.03 H HETATM 817 H7 ALA A 71 -1.630 -14.744 14.144 1.00 0.03 H HETATM 818 C ALA A 71 -1.984 -18.158 13.607 1.00 0.23 C HETATM 819 O ALA A 71 -1.540 -19.046 14.358 1.00 -0.39 O HETATM 820 N ALA A 71 -2.172 -18.365 12.315 1.00 -0.26 N HETATM 821 CA ALA A 71 -1.810 -19.641 11.723 1.00 0.13 C HETATM 822 CB ALA A 71 -2.764 -19.976 10.572 1.00 -0.01 C HETATM 823 CG ALA A 71 -4.210 -20.064 11.049 1.00 -0.02 C HETATM 824 CD ALA A 71 -5.159 -20.179 9.884 1.00 0.06 C HETATM 825 NE ALA A 71 -5.117 -18.947 9.103 1.00 -0.27 N HETATM 826 CZ ALA A 71 -4.545 -18.856 7.901 1.00 0.29 C HETATM 827 NH2 ALA A 71 -4.549 -17.692 7.271 1.00 -0.28 N HETATM 828 H19 ALA A 71 -4.993 -16.872 7.707 1.00 0.26 H HETATM 829 H20 ALA A 71 -4.108 -17.607 6.344 1.00 0.26 H HETATM 830 NH1 ALA A 71 -3.971 -19.915 7.337 1.00 -0.28 N HETATM 831 H17 ALA A 71 -3.533 -19.830 6.409 1.00 0.26 H HETATM 832 H18 ALA A 71 -3.964 -20.820 7.829 1.00 0.26 H HETATM 833 H16 ALA A 71 -5.552 -18.102 9.501 1.00 0.26 H HETATM 834 H14 ALA A 71 -6.181 -20.343 10.257 1.00 0.07 H HETATM 835 H15 ALA A 71 -4.861 -21.026 9.249 1.00 0.07 H HETATM 836 H12 ALA A 71 -4.455 -19.159 11.624 1.00 0.03 H HETATM 837 H13 ALA A 71 -4.323 -20.949 11.693 1.00 0.03 H HETATM 838 H10 ALA A 71 -2.472 -20.943 10.136 1.00 0.03 H HETATM 839 H11 ALA A 71 -2.688 -19.191 9.805 1.00 0.03 H HETATM 840 C ALA A 71 -0.378 -19.601 11.208 1.00 0.20 C HETATM 841 O ALA A 71 -0.016 -18.721 10.410 1.00 -0.39 O HETATM 842 N ALA A 71 0.436 -20.558 11.663 1.00 -0.26 N HETATM 843 CA ALA A 71 1.834 -20.574 11.273 1.00 0.17 C HETATM 844 CB ALA A 71 2.719 -20.059 12.411 1.00 0.09 C HETATM 845 CG2 ALA A 71 2.184 -18.703 12.908 1.00 -0.03 C HETATM 846 H25 ALA A 71 2.821 -18.335 13.726 1.00 0.03 H HETATM 847 H26 ALA A 71 1.154 -18.827 13.273 1.00 0.03 H HETATM 848 H27 ALA A 71 2.195 -17.979 12.080 1.00 0.03 H HETATM 849 OG1 ALA A 71 2.699 -21.012 13.486 1.00 -0.39 O HETATM 850 H24 ALA A 71 3.030 -21.846 13.174 1.00 0.21 H HETATM 851 H23 ALA A 71 3.750 -19.935 12.049 1.00 0.06 H HETATM 852 C ALA A 71 2.226 -22.001 10.935 1.00 0.26 C HETATM 853 O ALA A 71 1.541 -22.955 11.332 1.00 -0.37 O HETATM 854 O1 ALA A 71 3.315 -22.230 10.206 1.00 -0.29 O HETATM 855 H28 ALA A 71 3.725 -21.403 9.983 1.00 0.25 H HETATM 856 H22 ALA A 71 1.973 -19.934 10.389 1.00 0.08 H HETATM 857 H21 ALA A 71 0.081 -21.265 12.274 1.00 0.19 H HETATM 858 H9 ALA A 71 -1.890 -20.424 12.492 1.00 0.08 H HETATM 859 H8 ALA A 71 -2.564 -17.643 11.745 1.00 0.19 H HETATM 860 H4 ALA A 71 -3.266 -16.459 13.583 1.00 0.11 H HETATM 861 H1 ALA A 71 -2.984 -15.844 15.877 1.00 0.20 H HETATM 862 H2 ALA A 71 -1.957 -17.104 16.135 1.00 0.20 H HETATM 863 H3 ALA A 71 -3.528 -17.391 15.736 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 72 71 76 742 CONECT 102 101 106 742 CONECT 259 258 263 743 CONECT 322 321 326 743 CONECT 423 422 425 742 CONECT 468 467 472 742 CONECT 667 666 671 743 CONECT 707 706 711 743 CONECT 742 72 102 423 468 CONECT 743 259 322 667 707 CONECT 812 813 861 862 863 CONECT 813 812 814 818 860 CONECT 814 813 815 816 817 CONECT 815 814 CONECT 816 814 CONECT 817 814 CONECT 818 813 819 820 CONECT 819 818 CONECT 820 818 821 859 CONECT 821 820 822 840 858 CONECT 822 821 823 838 839 CONECT 823 822 824 836 837 CONECT 824 823 825 834 835 CONECT 825 824 826 833 CONECT 826 825 827 830 CONECT 827 826 828 829 CONECT 828 827 CONECT 829 827 CONECT 830 826 831 832 CONECT 831 830 CONECT 832 830 CONECT 833 825 CONECT 834 824 CONECT 835 824 CONECT 836 823 CONECT 837 823 CONECT 838 822 CONECT 839 822 CONECT 840 821 841 842 CONECT 841 840 CONECT 842 840 843 857 CONECT 843 842 844 852 856 CONECT 844 843 845 849 851 CONECT 845 844 846 847 848 CONECT 846 845 CONECT 847 845 CONECT 848 845 CONECT 849 844 850 CONECT 850 849 CONECT 851 844 CONECT 852 843 853 854 CONECT 853 852 CONECT 854 852 855 CONECT 855 854 CONECT 856 843 CONECT 857 842 CONECT 858 821 CONECT 859 820 CONECT 860 813 CONECT 861 812 CONECT 862 812 CONECT 863 812 MASTER 0 0 0 0 0 0 0 0 862 1 66 4 END
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Entry Information
PDB ID
2vnf
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ING4
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.76(Å)
Affinity (Kd/Ki/IC50)
Kd=3uM
Release Year
2008
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) J.Biol.Chem. Vol. 283: pp. 15956-15964
Ligand Properties
Formula
C
1
3
H
2
8
N
6
O
5
Molecular Weight
348.399
Exact Mass
348.212
No. of atoms
52
No. of bonds
51
Polar Surface Area
209.38
LOGP Value
-3.22 (
Computed with XLOGP3
)
-3.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 11
No. of Rings: 0
Canonical SMILES
O=C([C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)N[C@H](C(=O)O)[C@H](O)C
InChI String
InChI=1S/C13H26N6O5/c1-6(14)10(21)18-8(4-3-5-17-13(15)16)11(22)19-9(7(2)20)12(23)24/h6-9,20H,3-5,14H2,1-2H3,(H,18,21)(H,19,22)(H,23,24)(H4,15,16,17)/p+2/t6-,7+,8-,9-/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
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
51147
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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