Browse entries in the PDBbind-CN Database
HEADER 5U2J_COMPLEX COMPND 5U2J_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 110 ASP PRO ILE PRO ILE CYS SER PHE CYS LEU GLY THR LYS SEQRES 2 B 110 GLU SER ASN ARG GLU LYS LYS PRO GLU GLU LEU LEU SER SEQRES 3 B 110 CYS ALA ASP CYS GLY SER SER GLY HIS PRO SER CYS LEU SEQRES 4 B 110 LYS PHE CYS PRO GLU LEU THR THR ASN VAL LYS ALA LEU SEQRES 5 B 110 ARG TRP GLN CYS ILE GLU CYS LYS THR CYS SER ALA CYS SEQRES 6 B 110 ARG VAL GLN GLY ARG ASN ALA ASP ASN MET LEU PHE CYS SEQRES 7 B 110 ASP SER CYS ASP ARG GLY PHE HIS MET GLU CYS CYS ASP SEQRES 8 B 110 PRO PRO LEU SER ARG MET PRO LYS GLY MET TRP ILE CYS SEQRES 9 B 110 GLN VAL CYS ARG PRO LYS HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET ZN A 4 1 HET ALA A 248 255 ATOM 1 N ASP B 204 69.959 -31.173 11.903 1.00 52.11 N ATOM 2 CA ASP B 204 68.704 -30.434 11.815 1.00 52.93 C ATOM 3 C ASP B 204 68.474 -29.785 10.440 1.00 46.66 C ATOM 4 O ASP B 204 67.378 -29.905 9.893 1.00 46.74 O ATOM 5 CB ASP B 204 68.628 -29.370 12.914 1.00 60.48 C ATOM 6 CG ASP B 204 67.279 -28.684 12.962 1.00 66.02 C ATOM 7 OD1 ASP B 204 66.253 -29.394 12.960 1.00 69.81 O ATOM 8 OD2 ASP B 204 67.244 -27.436 12.993 1.00 67.74 O ATOM 9 HN3 ASP B 204 70.754 -30.526 11.725 1.00 0.00 H ATOM 10 HN2 ASP B 204 69.963 -31.933 11.193 1.00 0.00 H ATOM 11 HN1 ASP B 204 70.052 -31.584 12.854 1.00 0.00 H ATOM 12 N PRO B 205 69.473 -29.097 9.874 1.00 42.02 N ATOM 13 CA PRO B 205 69.284 -28.550 8.524 1.00 37.39 C ATOM 14 C PRO B 205 69.232 -29.670 7.497 1.00 33.00 C ATOM 15 O PRO B 205 70.076 -30.569 7.493 1.00 33.23 O ATOM 16 CB PRO B 205 70.509 -27.649 8.318 1.00 39.02 C ATOM 17 CG PRO B 205 71.132 -27.500 9.660 1.00 43.28 C ATOM 18 CD PRO B 205 70.807 -28.748 10.396 1.00 43.92 C ATOM 19 N ILE B 206 68.229 -29.611 6.633 1.00 29.89 N ATOM 20 CA ILE B 206 68.046 -30.604 5.575 1.00 27.69 C ATOM 21 C ILE B 206 68.913 -30.188 4.397 1.00 25.57 C ATOM 22 O ILE B 206 68.738 -29.076 3.872 1.00 24.69 O ATOM 23 CB ILE B 206 66.570 -30.714 5.176 1.00 27.01 C ATOM 24 CG1 ILE B 206 65.738 -31.137 6.391 1.00 28.89 C ATOM 25 CG2 ILE B 206 66.399 -31.692 4.025 1.00 25.19 C ATOM 26 CD1 ILE B 206 64.244 -31.092 6.174 1.00 29.30 C ATOM 27 H ILE B 206 67.547 -28.830 6.710 1.00 0.00 H ATOM 28 N PRO B 207 69.854 -31.029 3.947 1.00 23.63 N ATOM 29 CA PRO B 207 70.842 -30.583 2.954 1.00 23.54 C ATOM 30 C PRO B 207 70.309 -30.565 1.531 1.00 22.88 C ATOM 31 O PRO B 207 71.083 -30.659 0.571 1.00 23.60 O ATOM 32 CB PRO B 207 71.967 -31.611 3.109 1.00 24.78 C ATOM 33 CG PRO B 207 71.242 -32.864 3.495 1.00 23.90 C ATOM 34 CD PRO B 207 70.077 -32.427 4.361 1.00 22.96 C ATOM 35 N ILE B 208 68.994 -30.423 1.388 1.00 22.59 N ATOM 36 CA ILE B 208 68.313 -30.463 0.101 1.00 21.82 C ATOM 37 C ILE B 208 67.430 -29.228 -0.020 1.00 19.71 C ATOM 38 O ILE B 208 66.749 -28.847 0.938 1.00 20.03 O ATOM 39 CB ILE B 208 67.480 -31.758 -0.041 1.00 24.22 C ATOM 40 CG1 ILE B 208 68.382 -32.942 -0.395 1.00 25.96 C ATOM 41 CG2 ILE B 208 66.379 -31.596 -1.072 1.00 27.04 C ATOM 42 CD1 ILE B 208 69.038 -32.819 -1.739 1.00 26.69 C ATOM 43 H ILE B 208 68.420 -30.275 2.243 1.00 0.00 H ATOM 44 N CYS B 209 67.453 -28.595 -1.193 1.00 18.10 N ATOM 45 CA CYS B 209 66.590 -27.448 -1.453 1.00 19.53 C ATOM 46 C CYS B 209 65.143 -27.891 -1.636 1.00 21.47 C ATOM 47 O CYS B 209 64.850 -28.770 -2.451 1.00 23.91 O ATOM 48 CB CYS B 209 67.070 -26.700 -2.696 1.00 20.23 C ATOM 49 SG CYS B 209 65.996 -25.339 -3.247 1.00 19.83 S ATOM 50 H CYS B 209 68.099 -28.926 -1.938 1.00 0.00 H ATOM 51 N SER B 210 64.227 -27.265 -0.893 1.00 20.52 N ATOM 52 CA SER B 210 62.822 -27.661 -0.987 1.00 22.41 C ATOM 53 C SER B 210 62.218 -27.405 -2.363 1.00 23.65 C ATOM 54 O SER B 210 61.211 -28.034 -2.708 1.00 26.43 O ATOM 55 CB SER B 210 61.986 -26.940 0.076 1.00 25.55 C ATOM 56 OG SER B 210 62.426 -27.257 1.383 1.00 28.93 O ATOM 57 HG SER B 210 63.371 -26.983 1.487 1.00 0.00 H ATOM 58 H SER B 210 64.511 -26.499 -0.250 1.00 0.00 H ATOM 59 N PHE B 211 62.799 -26.511 -3.161 1.00 23.12 N ATOM 60 CA PHE B 211 62.177 -26.166 -4.435 1.00 24.52 C ATOM 61 C PHE B 211 62.711 -26.989 -5.603 1.00 23.23 C ATOM 62 O PHE B 211 61.927 -27.448 -6.443 1.00 23.37 O ATOM 63 CB PHE B 211 62.352 -24.671 -4.707 1.00 26.36 C ATOM 64 CG PHE B 211 61.743 -23.801 -3.648 1.00 27.07 C ATOM 65 CD1 PHE B 211 60.384 -23.534 -3.654 1.00 28.66 C ATOM 66 CD2 PHE B 211 62.521 -23.268 -2.635 1.00 28.17 C ATOM 67 CE1 PHE B 211 59.815 -22.743 -2.677 1.00 31.04 C ATOM 68 CE2 PHE B 211 61.954 -22.476 -1.655 1.00 29.87 C ATOM 69 CZ PHE B 211 60.600 -22.211 -1.679 1.00 30.27 C ATOM 70 H PHE B 211 63.692 -26.061 -2.877 1.00 0.00 H ATOM 71 N CYS B 212 64.023 -27.197 -5.679 1.00 22.31 N ATOM 72 CA CYS B 212 64.622 -27.927 -6.786 1.00 22.55 C ATOM 73 C CYS B 212 65.208 -29.267 -6.371 1.00 22.16 C ATOM 74 O CYS B 212 65.669 -30.020 -7.238 1.00 24.94 O ATOM 75 CB CYS B 212 65.709 -27.080 -7.454 1.00 22.50 C ATOM 76 SG CYS B 212 67.200 -26.882 -6.457 1.00 19.44 S ATOM 77 H CYS B 212 64.638 -26.827 -4.926 1.00 0.00 H ATOM 78 N LEU B 213 65.210 -29.582 -5.076 1.00 19.94 N ATOM 79 CA LEU B 213 65.707 -30.837 -4.518 1.00 21.61 C ATOM 80 C LEU B 213 67.197 -31.040 -4.750 1.00 23.96 C ATOM 81 O LEU B 213 67.695 -32.163 -4.595 1.00 24.29 O ATOM 82 CB LEU B 213 64.925 -32.043 -5.055 1.00 24.72 C ATOM 83 CG LEU B 213 63.425 -31.983 -4.750 1.00 25.91 C ATOM 84 CD1 LEU B 213 62.705 -33.204 -5.304 1.00 27.58 C ATOM 85 CD2 LEU B 213 63.176 -31.839 -3.246 1.00 25.96 C ATOM 86 H LEU B 213 64.828 -28.880 -4.411 1.00 0.00 H ATOM 87 N GLY B 214 67.928 -29.986 -5.112 1.00 25.17 N ATOM 88 CA GLY B 214 69.362 -30.097 -5.227 1.00 25.08 C ATOM 89 C GLY B 214 70.066 -29.867 -3.905 1.00 25.22 C ATOM 90 O GLY B 214 69.530 -29.261 -2.978 1.00 25.67 O ATOM 91 H GLY B 214 67.462 -29.078 -5.313 1.00 0.00 H ATOM 92 N THR B 215 71.287 -30.384 -3.816 1.00 25.21 N ATOM 93 CA THR B 215 72.148 -30.111 -2.675 1.00 24.13 C ATOM 94 C THR B 215 72.846 -28.775 -2.901 1.00 23.44 C ATOM 95 O THR B 215 72.573 -28.057 -3.867 1.00 25.20 O ATOM 96 CB THR B 215 73.170 -31.227 -2.481 1.00 25.66 C ATOM 97 OG1 THR B 215 74.023 -31.286 -3.629 1.00 27.78 O ATOM 98 CG2 THR B 215 72.488 -32.573 -2.289 1.00 27.22 C ATOM 99 HG1 THR B 215 73.478 -31.469 -4.435 1.00 0.00 H ATOM 100 H THR B 215 71.635 -30.998 -4.580 1.00 0.00 H ATOM 101 N LYS B 216 73.784 -28.439 -2.015 1.00 22.23 N ATOM 102 CA LYS B 216 74.620 -27.264 -2.224 1.00 23.78 C ATOM 103 C LYS B 216 75.519 -27.397 -3.446 1.00 25.38 C ATOM 104 O LYS B 216 76.136 -26.405 -3.848 1.00 26.40 O ATOM 105 CB LYS B 216 75.468 -26.997 -0.978 1.00 25.56 C ATOM 106 CG LYS B 216 76.419 -28.130 -0.619 1.00 27.02 C ATOM 107 CD LYS B 216 77.291 -27.771 0.573 1.00 29.43 C ATOM 108 CE LYS B 216 78.263 -28.897 0.893 1.00 30.56 C ATOM 109 NZ LYS B 216 79.130 -28.589 2.065 1.00 32.17 N ATOM 110 HZ1 LYS B 216 79.686 -27.733 1.868 1.00 0.00 H ATOM 111 HZ2 LYS B 216 78.535 -28.432 2.903 1.00 0.00 H ATOM 112 HZ3 LYS B 216 79.772 -29.388 2.239 1.00 0.00 H ATOM 113 H LYS B 216 73.921 -29.022 -1.165 1.00 0.00 H ATOM 114 N GLU B 217 75.602 -28.586 -4.049 1.00 26.28 N ATOM 115 CA GLU B 217 76.417 -28.807 -5.236 1.00 29.73 C ATOM 116 C GLU B 217 75.667 -28.576 -6.541 1.00 27.27 C ATOM 117 O GLU B 217 76.297 -28.585 -7.604 1.00 27.86 O ATOM 118 CB GLU B 217 76.972 -30.239 -5.246 1.00 34.81 C ATOM 119 CG GLU B 217 78.008 -30.544 -4.175 1.00 38.38 C ATOM 120 CD GLU B 217 78.994 -29.412 -3.967 1.00 43.30 C ATOM 121 OE1 GLU B 217 79.674 -29.021 -4.941 1.00 47.50 O ATOM 122 OE2 GLU B 217 79.098 -28.917 -2.825 1.00 44.74 O ATOM 123 H GLU B 217 75.064 -29.385 -3.656 1.00 0.00 H ATOM 124 N SER B 218 74.348 -28.377 -6.501 1.00 25.09 N ATOM 125 CA SER B 218 73.564 -28.388 -7.740 1.00 25.17 C ATOM 126 C SER B 218 72.271 -27.592 -7.529 1.00 24.52 C ATOM 127 O SER B 218 71.268 -28.143 -7.075 1.00 24.30 O ATOM 128 CB SER B 218 73.265 -29.810 -8.175 1.00 25.87 C ATOM 129 OG SER B 218 72.707 -29.845 -9.475 1.00 26.83 O ATOM 130 HG SER B 218 72.524 -30.784 -9.729 1.00 0.00 H ATOM 131 H SER B 218 73.875 -28.214 -5.589 1.00 0.00 H ATOM 132 N ASN B 219 72.304 -26.305 -7.886 1.00 25.58 N ATOM 133 CA ASN B 219 71.083 -25.507 -7.872 1.00 25.25 C ATOM 134 C ASN B 219 70.295 -25.772 -9.150 1.00 27.53 C ATOM 135 O ASN B 219 70.511 -26.795 -9.807 1.00 28.65 O ATOM 136 CB ASN B 219 71.390 -24.011 -7.691 1.00 25.83 C ATOM 137 CG ASN B 219 72.213 -23.418 -8.830 1.00 26.65 C ATOM 138 OD1 ASN B 219 72.449 -24.054 -9.858 1.00 25.86 O ATOM 139 ND2 ASN B 219 72.641 -22.172 -8.648 1.00 29.00 N ATOM 140 HD22 ASN B 219 72.420 -21.670 -7.764 1.00 0.00 H ATOM 141 HD21 ASN B 219 73.197 -21.700 -9.389 1.00 0.00 H ATOM 142 H ASN B 219 73.204 -25.870 -8.175 1.00 0.00 H ATOM 143 N ARG B 220 69.386 -24.867 -9.522 1.00 29.38 N ATOM 144 CA ARG B 220 68.573 -25.124 -10.708 1.00 32.16 C ATOM 145 C ARG B 220 69.400 -25.075 -11.987 1.00 33.36 C ATOM 146 O ARG B 220 69.035 -25.714 -12.981 1.00 34.95 O ATOM 147 CB ARG B 220 67.406 -24.140 -10.780 1.00 35.04 C ATOM 148 CG ARG B 220 66.272 -24.492 -9.834 1.00 35.97 C ATOM 149 CD ARG B 220 65.010 -23.701 -10.125 1.00 39.47 C ATOM 150 NE ARG B 220 64.022 -23.861 -9.061 1.00 39.95 N ATOM 151 CZ ARG B 220 62.989 -24.695 -9.116 1.00 41.02 C ATOM 152 NH1 ARG B 220 62.802 -25.454 -10.187 1.00 42.88 N ATOM 153 NH2 ARG B 220 62.143 -24.773 -8.098 1.00 41.09 N ATOM 154 HE ARG B 220 64.135 -23.284 -8.203 1.00 0.00 H ATOM 155 HH12 ARG B 220 61.993 -26.106 -10.227 1.00 0.00 H ATOM 156 HH11 ARG B 220 63.465 -25.397 -10.987 1.00 0.00 H ATOM 157 HH22 ARG B 220 61.335 -25.426 -8.142 1.00 0.00 H ATOM 158 HH21 ARG B 220 62.288 -24.181 -7.255 1.00 0.00 H ATOM 159 H ARG B 220 69.259 -23.992 -8.975 1.00 0.00 H ATOM 160 N GLU B 221 70.514 -24.346 -11.984 1.00 33.75 N ATOM 161 CA GLU B 221 71.410 -24.287 -13.131 1.00 37.65 C ATOM 162 C GLU B 221 72.552 -25.294 -13.043 1.00 37.94 C ATOM 163 O GLU B 221 73.513 -25.190 -13.812 1.00 33.56 O ATOM 164 CB GLU B 221 71.984 -22.879 -13.283 1.00 40.58 C ATOM 165 CG GLU B 221 70.995 -21.770 -12.995 1.00 41.02 C ATOM 166 CD GLU B 221 71.677 -20.510 -12.502 1.00 43.07 C ATOM 167 OE1 GLU B 221 72.040 -19.660 -13.344 1.00 46.21 O ATOM 168 OE2 GLU B 221 71.868 -20.372 -11.272 1.00 43.32 O ATOM 169 H GLU B 221 70.753 -23.799 -11.132 1.00 0.00 H ATOM 170 N LYS B 222 72.457 -26.265 -12.131 1.00 35.61 N ATOM 171 CA LYS B 222 73.471 -27.305 -11.923 1.00 36.61 C ATOM 172 C LYS B 222 74.810 -26.716 -11.503 1.00 36.69 C ATOM 173 O LYS B 222 75.874 -27.265 -11.807 1.00 32.70 O ATOM 174 CB LYS B 222 73.648 -28.188 -13.158 1.00 41.14 C ATOM 175 CG LYS B 222 72.357 -28.820 -13.616 1.00 43.27 C ATOM 176 CD LYS B 222 71.536 -29.270 -12.425 1.00 42.18 C ATOM 177 CE LYS B 222 70.895 -30.587 -12.684 1.00 46.52 C ATOM 178 NZ LYS B 222 69.925 -30.486 -13.790 1.00 52.37 N ATOM 179 HZ1 LYS B 222 69.188 -29.796 -13.541 1.00 0.00 H ATOM 180 HZ2 LYS B 222 70.416 -30.175 -14.653 1.00 0.00 H ATOM 181 HZ3 LYS B 222 69.490 -31.416 -13.954 1.00 0.00 H ATOM 182 H LYS B 222 71.609 -26.285 -11.529 1.00 0.00 H ATOM 183 N LYS B 223 74.760 -25.598 -10.794 1.00 35.13 N ATOM 184 CA LYS B 223 75.955 -24.976 -10.263 1.00 35.99 C ATOM 185 C LYS B 223 75.915 -25.015 -8.743 1.00 30.96 C ATOM 186 O LYS B 223 74.832 -25.063 -8.151 1.00 27.64 O ATOM 187 CB LYS B 223 76.071 -23.528 -10.752 1.00 40.99 C ATOM 188 CG LYS B 223 76.550 -23.421 -12.187 1.00 47.11 C ATOM 189 CD LYS B 223 76.448 -22.000 -12.697 1.00 51.49 C ATOM 190 CE LYS B 223 76.534 -21.962 -14.211 1.00 58.57 C ATOM 191 NZ LYS B 223 75.650 -20.914 -14.787 1.00 61.90 N ATOM 192 HZ1 LYS B 223 74.664 -21.109 -14.520 1.00 0.00 H ATOM 193 HZ2 LYS B 223 75.933 -19.983 -14.419 1.00 0.00 H ATOM 194 HZ3 LYS B 223 75.737 -20.920 -15.823 1.00 0.00 H ATOM 195 H LYS B 223 73.837 -25.155 -10.614 1.00 0.00 H ATOM 196 N PRO B 224 77.069 -25.017 -8.082 1.00 30.89 N ATOM 197 CA PRO B 224 77.053 -25.061 -6.619 1.00 29.87 C ATOM 198 C PRO B 224 76.563 -23.742 -6.048 1.00 28.52 C ATOM 199 O PRO B 224 76.859 -22.664 -6.570 1.00 28.32 O ATOM 200 CB PRO B 224 78.513 -25.336 -6.248 1.00 31.36 C ATOM 201 CG PRO B 224 79.307 -24.924 -7.429 1.00 34.06 C ATOM 202 CD PRO B 224 78.429 -25.058 -8.638 1.00 34.16 C ATOM 203 N GLU B 225 75.782 -23.844 -4.975 1.00 27.59 N ATOM 204 CA GLU B 225 75.232 -22.681 -4.290 1.00 29.38 C ATOM 205 C GLU B 225 74.847 -23.122 -2.888 1.00 29.84 C ATOM 206 O GLU B 225 74.187 -24.152 -2.728 1.00 27.45 O ATOM 207 CB GLU B 225 74.017 -22.113 -5.035 1.00 28.00 C ATOM 208 CG GLU B 225 73.355 -20.931 -4.332 1.00 25.72 C ATOM 209 CD GLU B 225 72.207 -20.336 -5.130 1.00 25.77 C ATOM 210 OE1 GLU B 225 71.710 -21.011 -6.056 1.00 27.82 O ATOM 211 OE2 GLU B 225 71.795 -19.196 -4.823 1.00 26.03 O ATOM 212 H GLU B 225 75.555 -24.791 -4.611 1.00 0.00 H ATOM 213 N GLU B 226 75.269 -22.364 -1.881 1.00 32.05 N ATOM 214 CA GLU B 226 75.002 -22.773 -0.510 1.00 34.39 C ATOM 215 C GLU B 226 73.521 -22.623 -0.182 1.00 30.59 C ATOM 216 O GLU B 226 72.803 -21.824 -0.785 1.00 31.82 O ATOM 217 CB GLU B 226 75.852 -21.966 0.473 1.00 41.72 C ATOM 218 CG GLU B 226 77.342 -22.277 0.398 1.00 49.22 C ATOM 219 CD GLU B 226 77.676 -23.683 0.874 1.00 55.99 C ATOM 220 OE1 GLU B 226 78.650 -24.271 0.355 1.00 64.20 O ATOM 221 OE2 GLU B 226 76.966 -24.207 1.764 1.00 55.28 O ATOM 222 H GLU B 226 75.787 -21.483 -2.072 1.00 0.00 H ATOM 223 N LEU B 227 73.067 -23.419 0.779 1.00 27.89 N ATOM 224 CA LEU B 227 71.670 -23.456 1.181 1.00 25.08 C ATOM 225 C LEU B 227 71.438 -22.561 2.389 1.00 23.50 C ATOM 226 O LEU B 227 72.286 -22.468 3.282 1.00 23.58 O ATOM 227 CB LEU B 227 71.243 -24.886 1.518 1.00 24.95 C ATOM 228 CG LEU B 227 71.281 -25.926 0.399 1.00 24.56 C ATOM 229 CD1 LEU B 227 71.055 -27.312 0.974 1.00 25.82 C ATOM 230 CD2 LEU B 227 70.232 -25.611 -0.651 1.00 22.74 C ATOM 231 H LEU B 227 73.741 -24.044 1.266 1.00 0.00 H ATOM 232 N LEU B 228 70.287 -21.891 2.400 1.00 21.24 N ATOM 233 CA LEU B 228 69.764 -21.247 3.595 1.00 22.48 C ATOM 234 C LEU B 228 68.782 -22.204 4.253 1.00 21.58 C ATOM 235 O LEU B 228 67.957 -22.812 3.571 1.00 20.51 O ATOM 236 CB LEU B 228 69.062 -19.935 3.246 1.00 23.01 C ATOM 237 CG LEU B 228 69.889 -18.918 2.459 1.00 24.93 C ATOM 238 CD1 LEU B 228 69.063 -17.684 2.137 1.00 26.13 C ATOM 239 CD2 LEU B 228 71.146 -18.547 3.226 1.00 27.98 C ATOM 240 H LEU B 228 69.740 -21.826 1.518 1.00 0.00 H ATOM 241 N SER B 229 68.868 -22.338 5.576 1.00 22.36 N ATOM 242 CA SER B 229 68.093 -23.348 6.287 1.00 22.27 C ATOM 243 C SER B 229 67.269 -22.721 7.403 1.00 22.76 C ATOM 244 O SER B 229 67.766 -21.883 8.164 1.00 24.10 O ATOM 245 CB SER B 229 69.005 -24.438 6.864 1.00 24.31 C ATOM 246 OG SER B 229 69.732 -25.086 5.832 1.00 21.78 O ATOM 247 HG SER B 229 69.099 -25.503 5.196 1.00 0.00 H ATOM 248 H SER B 229 69.500 -21.710 6.112 1.00 0.00 H ATOM 249 N CYS B 230 66.010 -23.151 7.502 1.00 18.24 N ATOM 250 CA CYS B 230 65.110 -22.641 8.528 1.00 19.05 C ATOM 251 C CYS B 230 65.515 -23.150 9.905 1.00 20.26 C ATOM 252 O CYS B 230 65.681 -24.358 10.112 1.00 20.89 O ATOM 253 CB CYS B 230 63.672 -23.054 8.223 1.00 17.66 C ATOM 254 SG CYS B 230 62.510 -22.628 9.530 1.00 17.91 S ATOM 255 H CYS B 230 65.663 -23.866 6.832 1.00 0.00 H ATOM 256 N ALA B 231 65.649 -22.225 10.858 1.00 20.31 N ATOM 257 CA ALA B 231 66.111 -22.586 12.193 1.00 21.74 C ATOM 258 C ALA B 231 65.097 -23.418 12.967 1.00 22.26 C ATOM 259 O ALA B 231 65.475 -24.088 13.935 1.00 20.89 O ATOM 260 CB ALA B 231 66.448 -21.324 12.985 1.00 23.77 C ATOM 261 H ALA B 231 65.421 -21.233 10.645 1.00 0.00 H ATOM 262 N ASP B 232 63.827 -23.402 12.566 1.00 22.01 N ATOM 263 CA ASP B 232 62.789 -24.106 13.308 1.00 23.31 C ATOM 264 C ASP B 232 62.433 -25.465 12.721 1.00 23.06 C ATOM 265 O ASP B 232 62.275 -26.430 13.474 1.00 24.85 O ATOM 266 CB ASP B 232 61.531 -23.238 13.401 1.00 23.51 C ATOM 267 CG ASP B 232 61.681 -22.114 14.410 1.00 24.35 C ATOM 268 OD1 ASP B 232 61.887 -22.415 15.605 1.00 23.73 O ATOM 269 OD2 ASP B 232 61.606 -20.933 14.013 1.00 25.47 O ATOM 270 H ASP B 232 63.571 -22.876 11.706 1.00 0.00 H ATOM 271 N CYS B 233 62.297 -25.574 11.399 1.00 22.30 N ATOM 272 CA CYS B 233 61.911 -26.836 10.781 1.00 24.08 C ATOM 273 C CYS B 233 63.033 -27.501 9.996 1.00 23.87 C ATOM 274 O CYS B 233 62.892 -28.670 9.618 1.00 23.40 O ATOM 275 CB CYS B 233 60.699 -26.634 9.856 1.00 23.96 C ATOM 276 SG CYS B 233 61.080 -25.905 8.244 1.00 20.96 S ATOM 277 H CYS B 233 62.470 -24.743 10.798 1.00 0.00 H ATOM 278 N GLY B 234 64.136 -26.799 9.740 1.00 23.09 N ATOM 279 CA GLY B 234 65.256 -27.370 9.025 1.00 23.66 C ATOM 280 C GLY B 234 65.164 -27.322 7.516 1.00 21.31 C ATOM 281 O GLY B 234 66.156 -27.634 6.845 1.00 21.05 O ATOM 282 H GLY B 234 64.193 -25.812 10.064 1.00 0.00 H ATOM 283 N SER B 235 64.017 -26.945 6.953 1.00 18.80 N ATOM 284 CA SER B 235 63.888 -26.891 5.502 1.00 19.47 C ATOM 285 C SER B 235 64.850 -25.866 4.920 1.00 20.03 C ATOM 286 O SER B 235 65.101 -24.814 5.514 1.00 21.84 O ATOM 287 CB SER B 235 62.453 -26.551 5.101 1.00 20.65 C ATOM 288 OG SER B 235 61.573 -27.618 5.413 1.00 21.87 O ATOM 289 HG SER B 235 60.652 -27.374 5.144 1.00 0.00 H ATOM 290 H SER B 235 63.208 -26.687 7.553 1.00 0.00 H ATOM 291 N SER B 236 65.384 -26.176 3.742 1.00 19.91 N ATOM 292 CA SER B 236 66.432 -25.376 3.136 1.00 20.18 C ATOM 293 C SER B 236 66.049 -24.974 1.721 1.00 18.67 C ATOM 294 O SER B 236 65.203 -25.599 1.077 1.00 16.64 O ATOM 295 CB SER B 236 67.768 -26.126 3.108 1.00 22.05 C ATOM 296 OG SER B 236 68.195 -26.459 4.416 1.00 24.15 O ATOM 297 HG SER B 236 68.308 -25.630 4.946 1.00 0.00 H ATOM 298 H SER B 236 65.039 -27.019 3.239 1.00 0.00 H ATOM 299 N GLY B 237 66.695 -23.922 1.242 1.00 18.44 N ATOM 300 CA GLY B 237 66.561 -23.528 -0.148 1.00 17.88 C ATOM 301 C GLY B 237 67.777 -22.768 -0.621 1.00 19.68 C ATOM 302 O GLY B 237 68.436 -22.066 0.154 1.00 22.29 O ATOM 303 H GLY B 237 67.309 -23.369 1.873 1.00 0.00 H ATOM 304 N HIS B 238 68.090 -22.933 -1.903 1.00 20.34 N ATOM 305 CA HIS B 238 69.066 -22.064 -2.537 1.00 21.73 C ATOM 306 C HIS B 238 68.523 -20.637 -2.549 1.00 21.33 C ATOM 307 O HIS B 238 67.336 -20.431 -2.824 1.00 20.94 O ATOM 308 CB HIS B 238 69.353 -22.502 -3.977 1.00 23.98 C ATOM 309 CG HIS B 238 69.899 -23.892 -4.105 1.00 23.52 C ATOM 310 ND1 HIS B 238 69.163 -24.932 -4.629 1.00 22.97 N ATOM 311 CD2 HIS B 238 71.116 -24.405 -3.806 1.00 24.83 C ATOM 312 CE1 HIS B 238 69.898 -26.030 -4.634 1.00 23.61 C ATOM 313 NE2 HIS B 238 71.087 -25.738 -4.140 1.00 24.66 N ATOM 314 H HIS B 238 67.634 -23.688 -2.454 1.00 0.00 H ATOM 315 N PRO B 239 69.350 -19.634 -2.253 1.00 22.03 N ATOM 316 CA PRO B 239 68.884 -18.246 -2.408 1.00 23.34 C ATOM 317 C PRO B 239 68.313 -17.951 -3.787 1.00 22.94 C ATOM 318 O PRO B 239 67.318 -17.226 -3.896 1.00 23.64 O ATOM 319 CB PRO B 239 70.149 -17.430 -2.118 1.00 24.50 C ATOM 320 CG PRO B 239 70.907 -18.278 -1.155 1.00 22.99 C ATOM 321 CD PRO B 239 70.666 -19.704 -1.594 1.00 21.99 C ATOM 322 N SER B 240 68.903 -18.514 -4.846 1.00 22.26 N ATOM 323 CA SER B 240 68.359 -18.320 -6.187 1.00 25.07 C ATOM 324 C SER B 240 66.963 -18.921 -6.317 1.00 24.59 C ATOM 325 O SER B 240 66.103 -18.363 -7.007 1.00 24.94 O ATOM 326 CB SER B 240 69.300 -18.926 -7.228 1.00 26.47 C ATOM 327 OG SER B 240 69.525 -20.300 -6.968 1.00 22.55 O ATOM 328 HG SER B 240 69.933 -20.403 -6.072 1.00 0.00 H ATOM 329 H SER B 240 69.756 -19.094 -4.714 1.00 0.00 H ATOM 330 N CYS B 241 66.717 -20.062 -5.664 1.00 24.02 N ATOM 331 CA CYS B 241 65.383 -20.656 -5.673 1.00 22.58 C ATOM 332 C CYS B 241 64.411 -19.879 -4.801 1.00 22.73 C ATOM 333 O CYS B 241 63.215 -19.812 -5.112 1.00 25.64 O ATOM 334 CB CYS B 241 65.451 -22.108 -5.200 1.00 21.44 C ATOM 335 SG CYS B 241 66.245 -23.201 -6.373 1.00 20.17 S ATOM 336 H CYS B 241 67.485 -20.532 -5.144 1.00 0.00 H ATOM 337 N LEU B 242 64.904 -19.301 -3.708 1.00 21.87 N ATOM 338 CA LEU B 242 64.108 -18.431 -2.856 1.00 23.66 C ATOM 339 C LEU B 242 63.867 -17.072 -3.492 1.00 23.82 C ATOM 340 O LEU B 242 63.086 -16.284 -2.948 1.00 23.40 O ATOM 341 CB LEU B 242 64.801 -18.252 -1.503 1.00 24.19 C ATOM 342 CG LEU B 242 64.695 -19.347 -0.429 1.00 23.09 C ATOM 343 CD1 LEU B 242 64.779 -20.734 -1.000 1.00 25.14 C ATOM 344 CD2 LEU B 242 65.800 -19.154 0.602 1.00 22.00 C ATOM 345 H LEU B 242 65.897 -19.478 -3.453 1.00 0.00 H ATOM 346 N LYS B 243 64.523 -16.794 -4.621 1.00 24.75 N ATOM 347 CA LYS B 243 64.406 -15.522 -5.333 1.00 29.68 C ATOM 348 C LYS B 243 64.912 -14.365 -4.477 1.00 29.91 C ATOM 349 O LYS B 243 64.360 -13.264 -4.494 1.00 31.91 O ATOM 350 CB LYS B 243 62.970 -15.286 -5.802 1.00 34.03 C ATOM 351 CG LYS B 243 62.413 -16.454 -6.600 1.00 34.69 C ATOM 352 CD LYS B 243 63.184 -16.672 -7.886 1.00 36.24 C ATOM 353 CE LYS B 243 62.659 -17.885 -8.636 1.00 36.92 C ATOM 354 NZ LYS B 243 63.368 -18.091 -9.927 1.00 39.62 N ATOM 355 HZ1 LYS B 243 63.238 -17.254 -10.530 1.00 0.00 H ATOM 356 HZ2 LYS B 243 64.382 -18.234 -9.745 1.00 0.00 H ATOM 357 HZ3 LYS B 243 62.979 -18.928 -10.405 1.00 0.00 H ATOM 358 H LYS B 243 65.152 -17.522 -5.016 1.00 0.00 H ATOM 359 N PHE B 244 65.975 -14.623 -3.718 1.00 27.95 N ATOM 360 CA PHE B 244 66.645 -13.590 -2.943 1.00 29.76 C ATOM 361 C PHE B 244 67.723 -12.922 -3.785 1.00 32.39 C ATOM 362 O PHE B 244 68.431 -13.583 -4.550 1.00 31.99 O ATOM 363 CB PHE B 244 67.295 -14.165 -1.683 1.00 27.62 C ATOM 364 CG PHE B 244 66.323 -14.608 -0.623 1.00 25.89 C ATOM 365 CD1 PHE B 244 64.962 -14.384 -0.757 1.00 25.86 C ATOM 366 CD2 PHE B 244 66.786 -15.220 0.530 1.00 25.19 C ATOM 367 CE1 PHE B 244 64.078 -14.788 0.232 1.00 24.91 C ATOM 368 CE2 PHE B 244 65.912 -15.625 1.521 1.00 24.53 C ATOM 369 CZ PHE B 244 64.556 -15.409 1.372 1.00 23.75 C ATOM 370 H PHE B 244 66.339 -15.596 -3.678 1.00 0.00 H ATOM 371 N CYS B 245 67.852 -11.611 -3.630 1.00 34.69 N ATOM 372 CA CYS B 245 69.003 -10.914 -4.175 1.00 38.41 C ATOM 373 C CYS B 245 70.202 -11.104 -3.247 1.00 38.38 C ATOM 374 O CYS B 245 70.046 -11.536 -2.102 1.00 36.02 O ATOM 375 CB CYS B 245 68.684 -9.432 -4.361 1.00 43.26 C ATOM 376 SG CYS B 245 68.341 -8.524 -2.841 1.00 46.35 S ATOM 377 H CYS B 245 67.123 -11.078 -3.114 1.00 0.00 H ATOM 378 N PRO B 246 71.419 -10.827 -3.730 1.00 40.37 N ATOM 379 CA PRO B 246 72.596 -10.981 -2.854 1.00 39.62 C ATOM 380 C PRO B 246 72.533 -10.162 -1.575 1.00 39.45 C ATOM 381 O PRO B 246 72.959 -10.652 -0.521 1.00 36.78 O ATOM 382 CB PRO B 246 73.756 -10.542 -3.757 1.00 42.22 C ATOM 383 CG PRO B 246 73.289 -10.855 -5.130 1.00 44.78 C ATOM 384 CD PRO B 246 71.804 -10.623 -5.138 1.00 42.53 C ATOM 385 N GLU B 247 72.026 -8.926 -1.630 1.00 42.52 N ATOM 386 CA GLU B 247 71.892 -8.131 -0.412 1.00 42.49 C ATOM 387 C GLU B 247 71.037 -8.858 0.616 1.00 37.29 C ATOM 388 O GLU B 247 71.442 -9.031 1.772 1.00 35.80 O ATOM 389 CB GLU B 247 71.285 -6.760 -0.726 1.00 47.03 C ATOM 390 CG GLU B 247 70.396 -6.229 0.401 1.00 49.92 C ATOM 391 CD GLU B 247 69.879 -4.826 0.161 1.00 57.58 C ATOM 392 OE1 GLU B 247 69.489 -4.167 1.149 1.00 55.62 O ATOM 393 OE2 GLU B 247 69.861 -4.382 -1.006 1.00 65.14 O ATOM 394 H GLU B 247 71.726 -8.529 -2.543 1.00 0.00 H ATOM 395 N LEU B 248 69.847 -9.296 0.202 1.00 34.23 N ATOM 396 CA LEU B 248 68.955 -10.022 1.096 1.00 30.90 C ATOM 397 C LEU B 248 69.616 -11.292 1.611 1.00 27.75 C ATOM 398 O LEU B 248 69.540 -11.602 2.806 1.00 27.24 O ATOM 399 CB LEU B 248 67.655 -10.341 0.355 1.00 33.10 C ATOM 400 CG LEU B 248 66.434 -10.901 1.080 1.00 32.29 C ATOM 401 CD1 LEU B 248 66.048 -10.024 2.248 1.00 31.03 C ATOM 402 CD2 LEU B 248 65.279 -11.002 0.098 1.00 33.00 C ATOM 403 H LEU B 248 69.550 -9.116 -0.778 1.00 0.00 H ATOM 404 N THR B 249 70.295 -12.023 0.725 1.00 26.64 N ATOM 405 CA THR B 249 70.934 -13.275 1.118 1.00 26.29 C ATOM 406 C THR B 249 71.982 -13.047 2.201 1.00 27.46 C ATOM 407 O THR B 249 72.038 -13.793 3.185 1.00 28.81 O ATOM 408 CB THR B 249 71.560 -13.942 -0.107 1.00 28.26 C ATOM 409 OG1 THR B 249 70.534 -14.248 -1.062 1.00 28.10 O ATOM 410 CG2 THR B 249 72.283 -15.219 0.285 1.00 29.16 C ATOM 411 HG1 THR B 249 70.080 -13.412 -1.337 1.00 0.00 H ATOM 412 H THR B 249 70.370 -11.696 -0.259 1.00 0.00 H ATOM 413 N THR B 250 72.812 -12.012 2.050 1.00 27.63 N ATOM 414 CA THR B 250 73.848 -11.764 3.047 1.00 27.19 C ATOM 415 C THR B 250 73.244 -11.341 4.380 1.00 26.68 C ATOM 416 O THR B 250 73.725 -11.756 5.437 1.00 28.85 O ATOM 417 CB THR B 250 74.837 -10.710 2.542 1.00 30.23 C ATOM 418 OG1 THR B 250 75.637 -11.266 1.493 1.00 32.10 O ATOM 419 CG2 THR B 250 75.755 -10.249 3.671 1.00 32.61 C ATOM 420 HG1 THR B 250 76.275 -10.582 1.169 1.00 0.00 H ATOM 421 H THR B 250 72.720 -11.385 1.225 1.00 0.00 H ATOM 422 N ASN B 251 72.186 -10.525 4.356 1.00 25.48 N ATOM 423 CA ASN B 251 71.565 -10.098 5.609 1.00 24.83 C ATOM 424 C ASN B 251 70.831 -11.242 6.290 1.00 23.24 C ATOM 425 O ASN B 251 70.872 -11.365 7.519 1.00 21.93 O ATOM 426 CB ASN B 251 70.597 -8.946 5.369 1.00 24.51 C ATOM 427 CG ASN B 251 71.296 -7.666 4.970 1.00 25.29 C ATOM 428 OD1 ASN B 251 72.447 -7.419 5.342 1.00 25.94 O ATOM 429 ND2 ASN B 251 70.590 -6.827 4.220 1.00 25.63 N ATOM 430 HD22 ASN B 251 69.623 -7.077 3.930 1.00 0.00 H ATOM 431 HD21 ASN B 251 71.004 -5.920 3.923 1.00 0.00 H ATOM 432 H ASN B 251 71.805 -10.194 3.447 1.00 0.00 H ATOM 433 N VAL B 252 70.114 -12.062 5.518 1.00 23.75 N ATOM 434 CA VAL B 252 69.509 -13.260 6.093 1.00 26.92 C ATOM 435 C VAL B 252 70.583 -14.087 6.777 1.00 30.97 C ATOM 436 O VAL B 252 70.376 -14.659 7.848 1.00 30.09 O ATOM 437 CB VAL B 252 68.771 -14.058 5.000 1.00 27.67 C ATOM 438 CG1 VAL B 252 68.484 -15.471 5.448 1.00 27.40 C ATOM 439 CG2 VAL B 252 67.466 -13.343 4.643 1.00 25.74 C ATOM 440 H VAL B 252 69.987 -11.848 4.508 1.00 0.00 H ATOM 441 N LYS B 253 71.767 -14.136 6.173 1.00 35.13 N ATOM 442 CA LYS B 253 72.984 -14.569 6.849 1.00 40.92 C ATOM 443 C LYS B 253 73.539 -13.407 7.679 1.00 48.08 C ATOM 444 O LYS B 253 74.715 -13.053 7.621 1.00 52.32 O ATOM 445 CB LYS B 253 73.991 -15.156 5.859 1.00 39.56 C ATOM 446 CG LYS B 253 73.382 -16.233 4.938 1.00 38.40 C ATOM 447 CD LYS B 253 74.436 -17.040 4.205 1.00 38.66 C ATOM 448 CE LYS B 253 75.424 -16.146 3.464 1.00 39.82 C ATOM 449 NZ LYS B 253 76.696 -16.850 3.115 1.00 42.33 N ATOM 450 HZ1 LYS B 253 77.158 -17.180 3.986 1.00 0.00 H ATOM 451 HZ2 LYS B 253 76.484 -17.664 2.503 1.00 0.00 H ATOM 452 HZ3 LYS B 253 77.328 -16.194 2.614 1.00 0.00 H ATOM 453 H LYS B 253 71.827 -13.853 5.174 1.00 0.00 H ATOM 454 N ALA B 254 72.616 -12.771 8.424 1.00 46.71 N ATOM 455 CA ALA B 254 73.022 -12.111 9.649 1.00 44.64 C ATOM 456 C ALA B 254 72.099 -12.428 10.824 1.00 40.15 C ATOM 457 O ALA B 254 72.261 -11.810 11.886 1.00 40.24 O ATOM 458 CB ALA B 254 73.068 -10.594 9.498 1.00 44.25 C ATOM 459 H ALA B 254 71.621 -12.753 8.123 1.00 0.00 H ATOM 460 N LEU B 255 71.154 -13.372 10.707 1.00 26.63 N ATOM 461 CA LEU B 255 70.175 -13.629 11.767 1.00 25.35 C ATOM 462 C LEU B 255 69.675 -15.074 11.776 1.00 23.61 C ATOM 463 O LEU B 255 69.964 -15.866 10.877 1.00 24.31 O ATOM 464 CB LEU B 255 68.985 -12.677 11.621 1.00 27.22 C ATOM 465 CG LEU B 255 68.558 -12.574 10.148 1.00 25.02 C ATOM 466 CD1 LEU B 255 67.776 -13.792 9.596 1.00 23.36 C ATOM 467 CD2 LEU B 255 67.836 -11.271 9.862 1.00 23.36 C ATOM 468 H LEU B 255 71.114 -13.940 9.837 1.00 0.00 H ATOM 469 N ARG B 256 68.878 -15.381 12.815 1.00 22.08 N ATOM 470 CA ARG B 256 68.113 -16.629 12.901 1.00 21.03 C ATOM 471 C ARG B 256 66.978 -16.595 11.885 1.00 21.48 C ATOM 472 O ARG B 256 65.983 -15.890 12.080 1.00 23.32 O ATOM 473 CB ARG B 256 67.553 -16.830 14.309 1.00 20.62 C ATOM 474 CG ARG B 256 66.786 -18.163 14.537 1.00 20.64 C ATOM 475 CD ARG B 256 66.247 -18.280 15.967 1.00 20.48 C ATOM 476 NE ARG B 256 65.810 -19.642 16.264 1.00 19.99 N ATOM 477 CZ ARG B 256 64.616 -20.132 15.947 1.00 20.88 C ATOM 478 NH1 ARG B 256 63.730 -19.369 15.324 1.00 21.59 N ATOM 479 NH2 ARG B 256 64.311 -21.385 16.249 1.00 21.09 N ATOM 480 HE ARG B 256 66.477 -20.270 16.756 1.00 0.00 H ATOM 481 HH12 ARG B 256 62.796 -19.753 15.076 1.00 0.00 H ATOM 482 HH11 ARG B 256 63.969 -18.386 15.083 1.00 0.00 H ATOM 483 HH22 ARG B 256 63.376 -21.767 16.000 1.00 0.00 H ATOM 484 HH21 ARG B 256 65.006 -21.987 16.735 1.00 0.00 H ATOM 485 H ARG B 256 68.800 -14.699 13.596 1.00 0.00 H ATOM 486 N TRP B 257 67.096 -17.382 10.818 1.00 20.32 N ATOM 487 CA TRP B 257 66.156 -17.299 9.705 1.00 20.08 C ATOM 488 C TRP B 257 65.052 -18.340 9.835 1.00 19.37 C ATOM 489 O TRP B 257 65.297 -19.478 10.244 1.00 18.31 O ATOM 490 CB TRP B 257 66.880 -17.484 8.369 1.00 20.04 C ATOM 491 CG TRP B 257 65.988 -17.295 7.178 1.00 18.99 C ATOM 492 CD1 TRP B 257 65.451 -16.119 6.732 1.00 18.49 C ATOM 493 CD2 TRP B 257 65.525 -18.311 6.281 1.00 18.36 C ATOM 494 NE1 TRP B 257 64.690 -16.340 5.611 1.00 19.28 N ATOM 495 CE2 TRP B 257 64.715 -17.679 5.315 1.00 19.72 C ATOM 496 CE3 TRP B 257 65.717 -19.695 6.200 1.00 18.14 C ATOM 497 CZ2 TRP B 257 64.098 -18.382 4.281 1.00 19.80 C ATOM 498 CZ3 TRP B 257 65.101 -20.392 5.172 1.00 19.81 C ATOM 499 CH2 TRP B 257 64.303 -19.735 4.226 1.00 20.98 C ATOM 500 HE1 TRP B 257 64.178 -15.611 5.074 1.00 0.00 H ATOM 501 H TRP B 257 67.874 -18.070 10.777 1.00 0.00 H ATOM 502 N GLN B 258 63.835 -17.943 9.470 1.00 19.24 N ATOM 503 CA GLN B 258 62.693 -18.843 9.414 1.00 19.00 C ATOM 504 C GLN B 258 62.161 -18.891 7.992 1.00 18.87 C ATOM 505 O GLN B 258 62.092 -17.862 7.310 1.00 18.77 O ATOM 506 CB GLN B 258 61.573 -18.396 10.353 1.00 19.14 C ATOM 507 CG GLN B 258 61.929 -18.386 11.827 1.00 19.87 C ATOM 508 CD GLN B 258 60.870 -17.687 12.652 1.00 19.34 C ATOM 509 OE1 GLN B 258 60.498 -16.548 12.362 1.00 18.35 O ATOM 510 NE2 GLN B 258 60.366 -18.368 13.673 1.00 18.73 N ATOM 511 HE22 GLN B 258 60.711 -19.327 13.880 1.00 0.00 H ATOM 512 HE21 GLN B 258 59.626 -17.943 14.267 1.00 0.00 H ATOM 513 H GLN B 258 63.694 -16.945 9.213 1.00 0.00 H ATOM 514 N CYS B 259 61.785 -20.088 7.549 1.00 19.24 N ATOM 515 CA CYS B 259 61.133 -20.225 6.258 1.00 19.54 C ATOM 516 C CYS B 259 59.729 -19.623 6.316 1.00 20.31 C ATOM 517 O CYS B 259 59.214 -19.269 7.381 1.00 18.88 O ATOM 518 CB CYS B 259 61.082 -21.695 5.834 1.00 20.19 C ATOM 519 SG CYS B 259 59.786 -22.694 6.621 1.00 22.12 S ATOM 520 H CYS B 259 61.959 -20.932 8.131 1.00 0.00 H ATOM 521 N ILE B 260 59.109 -19.516 5.140 1.00 21.98 N ATOM 522 CA ILE B 260 57.804 -18.872 5.030 1.00 22.80 C ATOM 523 C ILE B 260 56.759 -19.584 5.883 1.00 23.49 C ATOM 524 O ILE B 260 55.843 -18.946 6.415 1.00 23.36 O ATOM 525 CB ILE B 260 57.390 -18.794 3.545 1.00 24.19 C ATOM 526 CG1 ILE B 260 56.087 -18.013 3.376 1.00 25.68 C ATOM 527 CG2 ILE B 260 57.283 -20.187 2.932 1.00 24.94 C ATOM 528 CD1 ILE B 260 55.725 -17.766 1.929 1.00 26.24 C ATOM 529 H ILE B 260 59.564 -19.898 4.286 1.00 0.00 H ATOM 530 N GLU B 261 56.890 -20.901 6.061 1.00 24.26 N ATOM 531 CA GLU B 261 55.881 -21.639 6.812 1.00 27.50 C ATOM 532 C GLU B 261 56.080 -21.535 8.320 1.00 26.59 C ATOM 533 O GLU B 261 55.113 -21.688 9.075 1.00 27.38 O ATOM 534 CB GLU B 261 55.869 -23.105 6.378 1.00 31.62 C ATOM 535 CG GLU B 261 55.344 -23.312 4.965 1.00 34.82 C ATOM 536 CD GLU B 261 54.026 -22.591 4.724 1.00 39.44 C ATOM 537 OE1 GLU B 261 53.101 -22.732 5.553 1.00 40.17 O ATOM 538 OE2 GLU B 261 53.917 -21.870 3.708 1.00 43.00 O ATOM 539 H GLU B 261 57.711 -21.400 5.664 1.00 0.00 H ATOM 540 N CYS B 262 57.305 -21.279 8.781 1.00 25.06 N ATOM 541 CA CYS B 262 57.573 -21.116 10.205 1.00 23.43 C ATOM 542 C CYS B 262 57.601 -19.662 10.656 1.00 21.82 C ATOM 543 O CYS B 262 57.617 -19.410 11.867 1.00 18.65 O ATOM 544 CB CYS B 262 58.909 -21.765 10.574 1.00 23.02 C ATOM 545 SG CYS B 262 59.008 -23.525 10.214 1.00 24.64 S ATOM 546 H CYS B 262 58.091 -21.193 8.106 1.00 0.00 H ATOM 547 N LYS B 263 57.599 -18.714 9.722 1.00 22.70 N ATOM 548 CA LYS B 263 57.853 -17.315 10.043 1.00 20.91 C ATOM 549 C LYS B 263 56.874 -16.788 11.086 1.00 20.62 C ATOM 550 O LYS B 263 55.656 -16.891 10.922 1.00 22.13 O ATOM 551 CB LYS B 263 57.754 -16.468 8.775 1.00 20.71 C ATOM 552 CG LYS B 263 58.309 -15.057 8.929 1.00 21.48 C ATOM 553 CD LYS B 263 59.790 -15.011 8.685 1.00 20.63 C ATOM 554 CE LYS B 263 60.076 -15.284 7.220 1.00 20.25 C ATOM 555 NZ LYS B 263 61.525 -15.132 6.925 1.00 20.32 N ATOM 556 HZ1 LYS B 263 61.823 -14.161 7.149 1.00 0.00 H ATOM 557 HZ2 LYS B 263 62.068 -15.805 7.503 1.00 0.00 H ATOM 558 HZ3 LYS B 263 61.694 -15.324 5.917 1.00 0.00 H ATOM 559 H LYS B 263 57.411 -18.979 8.734 1.00 0.00 H ATOM 560 N THR B 264 57.419 -16.219 12.157 1.00 19.31 N ATOM 561 CA THR B 264 56.646 -15.495 13.154 1.00 20.02 C ATOM 562 C THR B 264 56.900 -13.999 12.999 1.00 20.34 C ATOM 563 O THR B 264 57.971 -13.584 12.552 1.00 21.81 O ATOM 564 CB THR B 264 57.015 -15.941 14.574 1.00 21.08 C ATOM 565 OG1 THR B 264 58.437 -15.860 14.748 1.00 20.92 O ATOM 566 CG2 THR B 264 56.560 -17.378 14.819 1.00 23.13 C ATOM 567 HG1 THR B 264 58.673 -16.148 15.665 1.00 0.00 H ATOM 568 H THR B 264 58.448 -16.295 12.288 1.00 0.00 H ATOM 569 N CYS B 265 55.891 -13.194 13.338 1.00 19.69 N ATOM 570 CA CYS B 265 56.067 -11.746 13.429 1.00 20.07 C ATOM 571 C CYS B 265 57.218 -11.371 14.345 1.00 19.40 C ATOM 572 O CYS B 265 57.248 -11.766 15.510 1.00 18.12 O ATOM 573 CB CYS B 265 54.796 -11.087 13.949 1.00 20.11 C ATOM 574 SG CYS B 265 54.819 -9.292 13.872 1.00 20.80 S ATOM 575 H CYS B 265 54.958 -13.606 13.542 1.00 0.00 H ATOM 576 N SER B 266 58.140 -10.555 13.833 1.00 19.98 N ATOM 577 CA SER B 266 59.280 -10.152 14.649 1.00 19.30 C ATOM 578 C SER B 266 58.885 -9.213 15.782 1.00 19.48 C ATOM 579 O SER B 266 59.639 -9.084 16.753 1.00 19.16 O ATOM 580 CB SER B 266 60.352 -9.507 13.773 1.00 19.73 C ATOM 581 OG SER B 266 61.056 -10.493 13.039 1.00 19.26 O ATOM 582 HG SER B 266 61.491 -11.123 13.667 1.00 0.00 H ATOM 583 H SER B 266 58.047 -10.208 12.857 1.00 0.00 H ATOM 584 N ALA B 267 57.725 -8.564 15.692 1.00 20.56 N ATOM 585 CA ALA B 267 57.291 -7.686 16.773 1.00 22.07 C ATOM 586 C ALA B 267 56.550 -8.463 17.858 1.00 22.31 C ATOM 587 O ALA B 267 56.954 -8.457 19.025 1.00 22.93 O ATOM 588 CB ALA B 267 56.420 -6.559 16.214 1.00 22.92 C ATOM 589 H ALA B 267 57.128 -8.684 14.849 1.00 0.00 H ATOM 590 N CYS B 268 55.465 -9.148 17.490 1.00 21.74 N ATOM 591 CA CYS B 268 54.611 -9.811 18.468 1.00 24.01 C ATOM 592 C CYS B 268 54.966 -11.278 18.692 1.00 24.13 C ATOM 593 O CYS B 268 54.369 -11.912 19.569 1.00 26.12 O ATOM 594 CB CYS B 268 53.142 -9.693 18.049 1.00 27.26 C ATOM 595 SG CYS B 268 52.691 -10.750 16.671 1.00 25.37 S ATOM 596 H CYS B 268 55.223 -9.210 16.480 1.00 0.00 H ATOM 597 N ARG B 269 55.904 -11.828 17.917 1.00 23.27 N ATOM 598 CA ARG B 269 56.558 -13.118 18.168 1.00 23.61 C ATOM 599 C ARG B 269 55.669 -14.325 17.895 1.00 25.09 C ATOM 600 O ARG B 269 55.984 -15.431 18.354 1.00 24.80 O ATOM 601 CB ARG B 269 57.100 -13.207 19.601 1.00 23.35 C ATOM 602 CG ARG B 269 57.849 -11.963 20.062 1.00 24.19 C ATOM 603 CD ARG B 269 58.958 -11.598 19.100 1.00 22.64 C ATOM 604 NE ARG B 269 60.008 -12.610 19.072 1.00 21.39 N ATOM 605 CZ ARG B 269 61.043 -12.581 18.242 1.00 21.04 C ATOM 606 NH1 ARG B 269 61.161 -11.593 17.369 1.00 20.10 N ATOM 607 NH2 ARG B 269 61.959 -13.539 18.283 1.00 21.80 N ATOM 608 HE ARG B 269 59.942 -13.402 19.743 1.00 0.00 H ATOM 609 HH12 ARG B 269 61.971 -11.569 16.718 1.00 0.00 H ATOM 610 HH11 ARG B 269 60.443 -10.841 17.334 1.00 0.00 H ATOM 611 HH22 ARG B 269 62.769 -13.513 17.631 1.00 0.00 H ATOM 612 HH21 ARG B 269 61.868 -14.317 18.967 1.00 0.00 H ATOM 613 H ARG B 269 56.194 -11.301 17.069 1.00 0.00 H ATOM 614 N VAL B 270 54.571 -14.166 17.154 1.00 26.41 N ATOM 615 CA VAL B 270 53.700 -15.284 16.817 1.00 28.18 C ATOM 616 C VAL B 270 53.359 -15.226 15.335 1.00 29.05 C ATOM 617 O VAL B 270 53.521 -14.199 14.672 1.00 28.50 O ATOM 618 CB VAL B 270 52.409 -15.304 17.664 1.00 29.51 C ATOM 619 CG1 VAL B 270 52.740 -15.381 19.149 1.00 29.29 C ATOM 620 CG2 VAL B 270 51.554 -14.086 17.356 1.00 30.06 C ATOM 621 H VAL B 270 54.330 -13.216 16.807 1.00 0.00 H ATOM 622 N GLN B 271 52.883 -16.360 14.813 1.00 30.11 N ATOM 623 CA GLN B 271 52.520 -16.426 13.403 1.00 32.82 C ATOM 624 C GLN B 271 51.215 -15.706 13.137 1.00 36.58 C ATOM 625 O GLN B 271 51.007 -15.167 12.044 1.00 36.46 O ATOM 626 CB GLN B 271 52.413 -17.882 12.950 1.00 34.94 C ATOM 627 CG GLN B 271 52.160 -18.057 11.461 1.00 36.25 C ATOM 628 CD GLN B 271 52.088 -19.514 11.054 1.00 37.51 C ATOM 629 OE1 GLN B 271 52.546 -20.395 11.781 1.00 37.73 O ATOM 630 NE2 GLN B 271 51.511 -19.776 9.887 1.00 39.04 N ATOM 631 HE22 GLN B 271 51.138 -18.999 9.305 1.00 0.00 H ATOM 632 HE21 GLN B 271 51.432 -20.758 9.555 1.00 0.00 H ATOM 633 H GLN B 271 52.771 -17.200 15.416 1.00 0.00 H ATOM 634 N GLY B 272 50.341 -15.677 14.123 1.00 41.06 N ATOM 635 CA GLY B 272 49.077 -15.017 13.968 1.00 47.00 C ATOM 636 C GLY B 272 48.121 -15.873 13.185 1.00 52.27 C ATOM 637 O GLY B 272 48.430 -16.955 12.679 1.00 51.13 O ATOM 638 H GLY B 272 50.571 -16.139 15.026 1.00 0.00 H ATOM 639 N ARG B 273 46.934 -15.344 13.064 1.00 58.40 N ATOM 640 CA ARG B 273 45.856 -16.168 12.589 1.00 64.41 C ATOM 641 C ARG B 273 45.792 -16.180 11.058 1.00 61.63 C ATOM 642 O ARG B 273 45.577 -17.235 10.450 1.00 61.92 O ATOM 643 CB ARG B 273 44.594 -15.663 13.274 1.00 73.70 C ATOM 644 CG ARG B 273 43.895 -14.520 12.591 1.00 83.92 C ATOM 645 CD ARG B 273 43.026 -15.332 11.807 1.00 93.97 C ATOM 646 NE ARG B 273 41.770 -14.931 11.203 1.00101.59 N ATOM 647 CZ ARG B 273 41.315 -15.635 10.175 1.00105.23 C ATOM 648 NH1 ARG B 273 42.028 -16.641 9.701 1.00104.11 N ATOM 649 NH2 ARG B 273 40.129 -15.399 9.671 1.00108.47 N ATOM 650 HE ARG B 273 41.240 -14.113 11.566 1.00 0.00 H ATOM 651 HH12 ARG B 273 41.674 -17.195 8.895 1.00 0.00 H ATOM 652 HH11 ARG B 273 42.943 -16.879 10.134 1.00 0.00 H ATOM 653 HH22 ARG B 273 39.786 -15.959 8.865 1.00 0.00 H ATOM 654 HH21 ARG B 273 39.531 -14.651 10.077 1.00 0.00 H ATOM 655 H ARG B 273 46.771 -14.346 13.306 1.00 0.00 H ATOM 656 N ASN B 274 45.999 -15.029 10.420 1.00 59.12 N ATOM 657 CA ASN B 274 45.824 -14.879 8.979 1.00 57.28 C ATOM 658 C ASN B 274 47.176 -14.917 8.286 1.00 54.02 C ATOM 659 O ASN B 274 48.113 -14.233 8.707 1.00 52.58 O ATOM 660 CB ASN B 274 45.108 -13.567 8.648 1.00 57.54 C ATOM 661 CG ASN B 274 44.928 -13.351 7.147 1.00 58.46 C ATOM 662 OD1 ASN B 274 44.872 -14.302 6.368 1.00 60.49 O ATOM 663 ND2 ASN B 274 44.822 -12.088 6.742 1.00 57.52 N ATOM 664 HD22 ASN B 274 44.875 -11.314 7.434 1.00 0.00 H ATOM 665 HD21 ASN B 274 44.686 -11.875 5.733 1.00 0.00 H ATOM 666 H ASN B 274 46.299 -14.201 10.973 1.00 0.00 H ATOM 667 N ALA B 275 47.276 -15.713 7.224 1.00 61.37 N ATOM 668 CA ALA B 275 48.496 -15.722 6.432 1.00 55.32 C ATOM 669 C ALA B 275 48.595 -14.515 5.509 1.00 49.93 C ATOM 670 O ALA B 275 49.702 -14.163 5.087 1.00 47.48 O ATOM 671 CB ALA B 275 48.584 -17.012 5.615 1.00 57.13 C ATOM 672 H ALA B 275 46.481 -16.329 6.960 1.00 0.00 H ATOM 673 N ASP B 276 47.471 -13.860 5.210 1.00 48.71 N ATOM 674 CA ASP B 276 47.450 -12.812 4.197 1.00 45.17 C ATOM 675 C ASP B 276 48.016 -11.480 4.679 1.00 41.83 C ATOM 676 O ASP B 276 48.383 -10.649 3.842 1.00 41.17 O ATOM 677 CB ASP B 276 46.021 -12.591 3.693 1.00 47.47 C ATOM 678 CG ASP B 276 45.515 -13.739 2.840 1.00 48.18 C ATOM 679 OD1 ASP B 276 46.015 -14.873 2.996 1.00 46.80 O ATOM 680 OD2 ASP B 276 44.613 -13.502 2.010 1.00 50.33 O ATOM 681 H ASP B 276 46.592 -14.102 5.710 1.00 0.00 H ATOM 682 N ASN B 277 48.093 -11.244 5.989 1.00 40.41 N ATOM 683 CA ASN B 277 48.467 -9.929 6.495 1.00 39.84 C ATOM 684 C ASN B 277 49.919 -9.855 6.956 1.00 35.37 C ATOM 685 O ASN B 277 50.292 -8.913 7.664 1.00 35.44 O ATOM 686 CB ASN B 277 47.534 -9.505 7.631 1.00 44.42 C ATOM 687 CG ASN B 277 47.766 -10.289 8.903 1.00 44.53 C ATOM 688 OD1 ASN B 277 47.814 -11.516 8.888 1.00 44.62 O ATOM 689 ND2 ASN B 277 47.912 -9.580 10.017 1.00 45.06 N ATOM 690 HD22 ASN B 277 47.864 -8.542 9.983 1.00 0.00 H ATOM 691 HD21 ASN B 277 48.074 -10.063 10.923 1.00 0.00 H ATOM 692 H ASN B 277 47.883 -12.010 6.660 1.00 0.00 H ATOM 693 N MET B 278 50.754 -10.809 6.570 1.00 30.11 N ATOM 694 CA MET B 278 52.176 -10.717 6.865 1.00 27.56 C ATOM 695 C MET B 278 52.929 -10.247 5.629 1.00 25.25 C ATOM 696 O MET B 278 52.684 -10.735 4.519 1.00 26.40 O ATOM 697 CB MET B 278 52.739 -12.050 7.353 1.00 29.02 C ATOM 698 CG MET B 278 54.103 -11.919 8.012 1.00 28.85 C ATOM 699 SD MET B 278 54.354 -13.117 9.325 1.00 34.82 S ATOM 700 CE MET B 278 55.042 -14.401 8.345 1.00 35.05 C ATOM 701 H MET B 278 50.389 -11.633 6.050 1.00 0.00 H ATOM 702 N LEU B 279 53.820 -9.281 5.820 1.00 21.92 N ATOM 703 CA LEU B 279 54.720 -8.844 4.767 1.00 22.22 C ATOM 704 C LEU B 279 56.154 -9.123 5.194 1.00 18.96 C ATOM 705 O LEU B 279 56.462 -9.240 6.385 1.00 19.28 O ATOM 706 CB LEU B 279 54.531 -7.356 4.421 1.00 27.55 C ATOM 707 CG LEU B 279 54.751 -6.228 5.432 1.00 28.44 C ATOM 708 CD1 LEU B 279 54.825 -4.907 4.690 1.00 29.50 C ATOM 709 CD2 LEU B 279 53.641 -6.169 6.462 1.00 29.79 C ATOM 710 H LEU B 279 53.875 -8.823 6.752 1.00 0.00 H ATOM 711 N PHE B 280 57.028 -9.249 4.201 1.00 17.21 N ATOM 712 CA PHE B 280 58.411 -9.646 4.419 1.00 17.72 C ATOM 713 C PHE B 280 59.338 -8.511 4.013 1.00 18.40 C ATOM 714 O PHE B 280 59.211 -7.960 2.914 1.00 20.25 O ATOM 715 CB PHE B 280 58.743 -10.918 3.639 1.00 18.70 C ATOM 716 CG PHE B 280 57.836 -12.072 3.958 1.00 22.47 C ATOM 717 CD1 PHE B 280 57.848 -12.648 5.216 1.00 23.36 C ATOM 718 CD2 PHE B 280 56.969 -12.577 3.001 1.00 25.77 C ATOM 719 CE1 PHE B 280 57.014 -13.713 5.517 1.00 25.44 C ATOM 720 CE2 PHE B 280 56.131 -13.646 3.293 1.00 26.04 C ATOM 721 CZ PHE B 280 56.151 -14.210 4.554 1.00 26.00 C ATOM 722 H PHE B 280 56.711 -9.056 3.229 1.00 0.00 H ATOM 723 N CYS B 281 60.270 -8.174 4.898 1.00 18.58 N ATOM 724 CA CYS B 281 61.182 -7.067 4.646 1.00 17.71 C ATOM 725 C CYS B 281 62.088 -7.380 3.462 1.00 17.23 C ATOM 726 O CYS B 281 62.652 -8.475 3.368 1.00 17.06 O ATOM 727 CB CYS B 281 62.016 -6.783 5.892 1.00 18.51 C ATOM 728 SG CYS B 281 63.280 -5.525 5.639 1.00 16.85 S ATOM 729 H CYS B 281 60.350 -8.710 5.786 1.00 0.00 H ATOM 730 N ASP B 282 62.228 -6.412 2.555 1.00 18.21 N ATOM 731 CA ASP B 282 63.060 -6.569 1.368 1.00 18.84 C ATOM 732 C ASP B 282 64.550 -6.474 1.668 1.00 18.78 C ATOM 733 O ASP B 282 65.363 -6.655 0.754 1.00 20.78 O ATOM 734 CB ASP B 282 62.673 -5.523 0.318 1.00 21.18 C ATOM 735 CG ASP B 282 61.390 -5.881 -0.405 1.00 22.37 C ATOM 736 OD1 ASP B 282 61.305 -7.011 -0.925 1.00 21.59 O ATOM 737 OD2 ASP B 282 60.460 -5.048 -0.440 1.00 25.54 O ATOM 738 H ASP B 282 61.726 -5.513 2.700 1.00 0.00 H ATOM 739 N SER B 283 64.927 -6.196 2.911 1.00 17.90 N ATOM 740 CA SER B 283 66.325 -6.140 3.318 1.00 18.49 C ATOM 741 C SER B 283 66.760 -7.341 4.140 1.00 16.77 C ATOM 742 O SER B 283 67.891 -7.806 3.985 1.00 17.06 O ATOM 743 CB SER B 283 66.592 -4.861 4.122 1.00 20.11 C ATOM 744 OG SER B 283 67.936 -4.815 4.569 1.00 21.51 O ATOM 745 HG SER B 283 68.117 -5.598 5.147 1.00 0.00 H ATOM 746 H SER B 283 64.193 -6.010 3.624 1.00 0.00 H ATOM 747 N CYS B 284 65.886 -7.872 5.001 1.00 15.96 N ATOM 748 CA CYS B 284 66.272 -8.925 5.930 1.00 15.67 C ATOM 749 C CYS B 284 65.326 -10.119 5.961 1.00 15.28 C ATOM 750 O CYS B 284 65.593 -11.071 6.702 1.00 18.32 O ATOM 751 CB CYS B 284 66.388 -8.362 7.354 1.00 17.09 C ATOM 752 SG CYS B 284 64.792 -7.939 8.094 1.00 14.19 S ATOM 753 H CYS B 284 64.906 -7.524 5.008 1.00 0.00 H ATOM 754 N ASP B 285 64.226 -10.087 5.210 1.00 13.93 N ATOM 755 CA ASP B 285 63.251 -11.173 5.101 1.00 15.89 C ATOM 756 C ASP B 285 62.473 -11.423 6.389 1.00 18.78 C ATOM 757 O ASP B 285 61.743 -12.420 6.470 1.00 21.29 O ATOM 758 CB ASP B 285 63.899 -12.488 4.643 1.00 17.07 C ATOM 759 CG ASP B 285 62.910 -13.422 3.963 1.00 19.64 C ATOM 760 OD1 ASP B 285 62.114 -12.936 3.132 1.00 19.43 O ATOM 761 OD2 ASP B 285 62.914 -14.635 4.269 1.00 21.93 O ATOM 762 H ASP B 285 64.046 -9.224 4.659 1.00 0.00 H ATOM 763 N ARG B 286 62.589 -10.555 7.394 1.00 18.44 N ATOM 764 CA ARG B 286 61.743 -10.694 8.571 1.00 17.30 C ATOM 765 C ARG B 286 60.283 -10.474 8.195 1.00 18.35 C ATOM 766 O ARG B 286 59.959 -9.684 7.307 1.00 20.06 O ATOM 767 CB ARG B 286 62.143 -9.700 9.665 1.00 16.38 C ATOM 768 CG ARG B 286 63.396 -10.058 10.450 1.00 17.16 C ATOM 769 CD ARG B 286 63.672 -8.995 11.518 1.00 17.94 C ATOM 770 NE ARG B 286 64.915 -9.219 12.256 1.00 17.88 N ATOM 771 CZ ARG B 286 66.077 -8.638 11.967 1.00 18.39 C ATOM 772 NH1 ARG B 286 66.166 -7.792 10.951 1.00 19.82 N ATOM 773 NH2 ARG B 286 67.152 -8.896 12.701 1.00 16.78 N ATOM 774 HE ARG B 286 64.889 -9.877 13.061 1.00 0.00 H ATOM 775 HH12 ARG B 286 67.076 -7.340 10.729 1.00 0.00 H ATOM 776 HH11 ARG B 286 65.326 -7.580 10.376 1.00 0.00 H ATOM 777 HH22 ARG B 286 68.059 -8.441 12.473 1.00 0.00 H ATOM 778 HH21 ARG B 286 67.088 -9.554 13.504 1.00 0.00 H ATOM 779 H ARG B 286 63.281 -9.781 7.338 1.00 0.00 H ATOM 780 N GLY B 287 59.397 -11.191 8.877 1.00 20.78 N ATOM 781 CA GLY B 287 57.969 -11.045 8.673 1.00 21.52 C ATOM 782 C GLY B 287 57.351 -10.148 9.735 1.00 21.33 C ATOM 783 O GLY B 287 57.729 -10.204 10.904 1.00 22.09 O ATOM 784 H GLY B 287 59.738 -11.878 9.579 1.00 0.00 H ATOM 785 N PHE B 288 56.403 -9.319 9.308 1.00 19.97 N ATOM 786 CA PHE B 288 55.645 -8.478 10.223 1.00 21.58 C ATOM 787 C PHE B 288 54.174 -8.516 9.852 1.00 22.62 C ATOM 788 O PHE B 288 53.826 -8.500 8.667 1.00 23.61 O ATOM 789 CB PHE B 288 56.129 -7.021 10.198 1.00 21.65 C ATOM 790 CG PHE B 288 57.456 -6.814 10.862 1.00 23.32 C ATOM 791 CD1 PHE B 288 58.632 -7.081 10.184 1.00 22.89 C ATOM 792 CD2 PHE B 288 57.529 -6.350 12.164 1.00 24.70 C ATOM 793 CE1 PHE B 288 59.859 -6.895 10.792 1.00 21.93 C ATOM 794 CE2 PHE B 288 58.756 -6.159 12.780 1.00 22.98 C ATOM 795 CZ PHE B 288 59.922 -6.430 12.090 1.00 21.29 C ATOM 796 H PHE B 288 56.197 -9.270 8.290 1.00 0.00 H ATOM 797 N HIS B 289 53.316 -8.575 10.868 1.00 22.64 N ATOM 798 CA HIS B 289 51.911 -8.262 10.660 1.00 23.63 C ATOM 799 C HIS B 289 51.771 -6.801 10.254 1.00 24.22 C ATOM 800 O HIS B 289 52.536 -5.940 10.691 1.00 23.52 O ATOM 801 CB HIS B 289 51.099 -8.506 11.933 1.00 24.79 C ATOM 802 CG HIS B 289 51.139 -9.914 12.436 1.00 26.70 C ATOM 803 ND1 HIS B 289 50.759 -10.997 11.676 1.00 29.07 N ATOM 804 CD2 HIS B 289 51.494 -10.414 13.641 1.00 27.00 C ATOM 805 CE1 HIS B 289 50.888 -12.104 12.387 1.00 29.79 C ATOM 806 NE2 HIS B 289 51.333 -11.777 13.585 1.00 29.90 N ATOM 807 H HIS B 289 53.652 -8.846 11.814 1.00 0.00 H ATOM 808 N MET B 290 50.774 -6.523 9.411 1.00 25.90 N ATOM 809 CA MET B 290 50.470 -5.136 9.076 1.00 26.86 C ATOM 810 C MET B 290 50.211 -4.320 10.335 1.00 28.34 C ATOM 811 O MET B 290 50.664 -3.175 10.452 1.00 28.90 O ATOM 812 CB MET B 290 49.261 -5.076 8.145 1.00 28.41 C ATOM 813 CG MET B 290 49.376 -5.973 6.940 1.00 30.20 C ATOM 814 SD MET B 290 47.843 -6.015 6.009 1.00 32.34 S ATOM 815 CE MET B 290 48.041 -4.540 5.040 1.00 33.59 C ATOM 816 H MET B 290 50.215 -7.294 8.994 1.00 0.00 H ATOM 817 N GLU B 291 49.501 -4.910 11.298 1.00 30.05 N ATOM 818 CA GLU B 291 49.149 -4.212 12.527 1.00 34.07 C ATOM 819 C GLU B 291 50.354 -3.983 13.426 1.00 31.05 C ATOM 820 O GLU B 291 50.301 -3.116 14.305 1.00 31.34 O ATOM 821 CB GLU B 291 48.084 -4.997 13.300 1.00 39.48 C ATOM 822 CG GLU B 291 47.036 -5.654 12.480 1.00 43.96 C ATOM 823 CD GLU B 291 47.449 -6.919 11.864 1.00 47.32 C ATOM 824 OE1 GLU B 291 47.466 -7.009 10.732 1.00 47.03 O ATOM 825 OE2 GLU B 291 47.772 -7.817 12.513 1.00 51.42 O ATOM 826 H GLU B 291 49.191 -5.894 11.168 1.00 0.00 H ATOM 827 N CYS B 292 51.433 -4.738 13.230 1.00 27.16 N ATOM 828 CA CYS B 292 52.617 -4.653 14.072 1.00 25.99 C ATOM 829 C CYS B 292 53.706 -3.779 13.468 1.00 25.44 C ATOM 830 O CYS B 292 54.818 -3.733 14.004 1.00 25.43 O ATOM 831 CB CYS B 292 53.158 -6.057 14.347 1.00 25.91 C ATOM 832 SG CYS B 292 51.959 -7.134 15.149 1.00 26.08 S ATOM 833 H CYS B 292 51.430 -5.417 12.442 1.00 0.00 H ATOM 834 N CYS B 293 53.416 -3.087 12.371 1.00 26.86 N ATOM 835 CA CYS B 293 54.384 -2.187 11.774 1.00 26.31 C ATOM 836 C CYS B 293 54.340 -0.830 12.470 1.00 27.21 C ATOM 837 O CYS B 293 53.493 -0.564 13.328 1.00 28.49 O ATOM 838 CB CYS B 293 54.127 -2.040 10.276 1.00 27.60 C ATOM 839 SG CYS B 293 54.420 -3.555 9.335 1.00 25.78 S ATOM 840 H CYS B 293 52.479 -3.193 11.933 1.00 0.00 H ATOM 841 N ASP B 294 55.270 0.038 12.094 1.00 26.86 N ATOM 842 CA ASP B 294 55.411 1.300 12.803 1.00 29.86 C ATOM 843 C ASP B 294 55.528 2.457 11.808 1.00 29.05 C ATOM 844 O ASP B 294 56.595 2.699 11.239 1.00 27.70 O ATOM 845 CB ASP B 294 56.611 1.214 13.759 1.00 32.27 C ATOM 846 CG ASP B 294 56.613 2.313 14.799 1.00 35.92 C ATOM 847 OD1 ASP B 294 57.641 2.494 15.486 1.00 36.51 O ATOM 848 OD2 ASP B 294 55.596 3.028 14.903 1.00 39.39 O ATOM 849 H ASP B 294 55.897 -0.183 11.294 1.00 0.00 H ATOM 850 N PRO B 295 54.406 3.159 11.564 1.00 29.82 N ATOM 851 CA PRO B 295 53.066 2.942 12.126 1.00 29.86 C ATOM 852 C PRO B 295 52.363 1.718 11.542 1.00 28.34 C ATOM 853 O PRO B 295 52.812 1.216 10.513 1.00 25.61 O ATOM 854 CB PRO B 295 52.322 4.221 11.733 1.00 32.28 C ATOM 855 CG PRO B 295 52.965 4.630 10.461 1.00 32.74 C ATOM 856 CD PRO B 295 54.423 4.310 10.644 1.00 31.58 C ATOM 857 N PRO B 296 51.289 1.252 12.182 1.00 30.79 N ATOM 858 CA PRO B 296 50.524 0.141 11.605 1.00 30.18 C ATOM 859 C PRO B 296 50.070 0.475 10.194 1.00 29.95 C ATOM 860 O PRO B 296 49.730 1.619 9.885 1.00 30.79 O ATOM 861 CB PRO B 296 49.336 -0.010 12.559 1.00 31.24 C ATOM 862 CG PRO B 296 49.808 0.571 13.842 1.00 31.32 C ATOM 863 CD PRO B 296 50.733 1.690 13.474 1.00 32.14 C ATOM 864 N LEU B 297 50.091 -0.531 9.330 1.00 29.20 N ATOM 865 CA LEU B 297 49.715 -0.364 7.934 1.00 31.73 C ATOM 866 C LEU B 297 48.257 -0.744 7.738 1.00 35.27 C ATOM 867 O LEU B 297 47.838 -1.842 8.117 1.00 34.04 O ATOM 868 CB LEU B 297 50.603 -1.206 7.020 1.00 29.60 C ATOM 869 CG LEU B 297 52.098 -0.888 7.058 1.00 27.93 C ATOM 870 CD1 LEU B 297 52.888 -2.051 6.489 1.00 26.56 C ATOM 871 CD2 LEU B 297 52.384 0.392 6.283 1.00 29.52 C ATOM 872 H LEU B 297 50.386 -1.472 9.661 1.00 0.00 H ATOM 873 N SER B 298 47.490 0.172 7.153 1.00 37.77 N ATOM 874 CA SER B 298 46.124 -0.111 6.743 1.00 41.13 C ATOM 875 C SER B 298 46.061 -0.869 5.427 1.00 42.49 C ATOM 876 O SER B 298 44.971 -1.286 5.018 1.00 45.94 O ATOM 877 CB SER B 298 45.342 1.198 6.615 1.00 44.72 C ATOM 878 OG SER B 298 45.776 1.930 5.481 1.00 45.88 O ATOM 879 HG SER B 298 46.739 2.139 5.573 1.00 0.00 H ATOM 880 H SER B 298 47.880 1.121 6.983 1.00 0.00 H ATOM 881 N ARG B 299 47.202 -1.069 4.772 1.00 41.11 N ATOM 882 CA ARG B 299 47.247 -1.515 3.388 1.00 43.09 C ATOM 883 C ARG B 299 48.671 -1.917 3.033 1.00 38.72 C ATOM 884 O ARG B 299 49.624 -1.261 3.456 1.00 35.94 O ATOM 885 CB ARG B 299 46.758 -0.406 2.448 1.00 49.02 C ATOM 886 CG ARG B 299 47.372 -0.455 1.067 1.00 52.59 C ATOM 887 CD ARG B 299 46.465 -1.175 0.109 1.00 58.93 C ATOM 888 NE ARG B 299 45.077 -0.737 0.251 1.00 65.52 N ATOM 889 CZ ARG B 299 44.072 -1.166 -0.504 1.00 71.97 C ATOM 890 NH1 ARG B 299 42.851 -0.705 -0.288 1.00 76.09 N ATOM 891 NH2 ARG B 299 44.298 -2.049 -1.471 1.00 73.81 N ATOM 892 HE ARG B 299 44.862 -0.042 0.994 1.00 0.00 H ATOM 893 HH12 ARG B 299 42.059 -1.036 -0.875 1.00 0.00 H ATOM 894 HH11 ARG B 299 42.683 -0.012 0.469 1.00 0.00 H ATOM 895 HH22 ARG B 299 43.511 -2.385 -2.062 1.00 0.00 H ATOM 896 HH21 ARG B 299 45.261 -2.404 -1.636 1.00 0.00 H ATOM 897 H ARG B 299 48.099 -0.899 5.270 1.00 0.00 H ATOM 898 N MET B 300 48.804 -2.990 2.255 1.00 37.98 N ATOM 899 CA MET B 300 50.125 -3.456 1.842 1.00 33.60 C ATOM 900 C MET B 300 50.757 -2.449 0.883 1.00 33.98 C ATOM 901 O MET B 300 50.119 -2.049 -0.098 1.00 37.53 O ATOM 902 CB MET B 300 50.025 -4.830 1.176 1.00 34.22 C ATOM 903 CG MET B 300 51.109 -5.814 1.592 1.00 31.65 C ATOM 904 SD MET B 300 51.134 -6.116 3.371 1.00 26.65 S ATOM 905 CE MET B 300 50.383 -7.734 3.492 1.00 27.00 C ATOM 906 H MET B 300 47.956 -3.502 1.938 1.00 0.00 H ATOM 907 N PRO B 301 51.990 -2.011 1.128 1.00 31.54 N ATOM 908 CA PRO B 301 52.653 -1.109 0.179 1.00 33.66 C ATOM 909 C PRO B 301 52.892 -1.804 -1.153 1.00 36.04 C ATOM 910 O PRO B 301 52.939 -3.032 -1.240 1.00 34.20 O ATOM 911 CB PRO B 301 53.982 -0.770 0.870 1.00 29.66 C ATOM 912 CG PRO B 301 53.817 -1.187 2.298 1.00 26.61 C ATOM 913 CD PRO B 301 52.821 -2.298 2.309 1.00 27.22 C ATOM 914 N LYS B 302 53.039 -1.002 -2.209 1.00 40.06 N ATOM 915 CA LYS B 302 53.487 -1.535 -3.490 1.00 43.90 C ATOM 916 C LYS B 302 54.996 -1.394 -3.568 1.00 40.55 C ATOM 917 O LYS B 302 55.563 -0.393 -3.119 1.00 40.18 O ATOM 918 CB LYS B 302 52.876 -0.829 -4.709 1.00 53.22 C ATOM 919 CG LYS B 302 51.765 0.178 -4.499 1.00 59.40 C ATOM 920 CD LYS B 302 50.579 -0.363 -3.743 1.00 61.90 C ATOM 921 CE LYS B 302 49.651 0.769 -3.380 1.00 67.73 C ATOM 922 NZ LYS B 302 48.447 0.262 -2.685 1.00 71.54 N ATOM 923 HZ1 LYS B 302 47.941 -0.399 -3.308 1.00 0.00 H ATOM 924 HZ2 LYS B 302 48.732 -0.230 -1.814 1.00 0.00 H ATOM 925 HZ3 LYS B 302 47.824 1.060 -2.446 1.00 0.00 H ATOM 926 H LYS B 302 52.832 0.013 -2.118 1.00 0.00 H ATOM 927 N GLY B 303 55.638 -2.389 -4.158 1.00 37.04 N ATOM 928 CA GLY B 303 57.064 -2.281 -4.289 1.00 34.58 C ATOM 929 C GLY B 303 57.758 -2.391 -2.942 1.00 30.83 C ATOM 930 O GLY B 303 57.198 -2.851 -1.942 1.00 27.73 O ATOM 931 H GLY B 303 55.127 -3.222 -4.515 1.00 0.00 H ATOM 932 N MET B 304 58.995 -1.906 -2.932 1.00 31.46 N ATOM 933 CA MET B 304 59.929 -2.193 -1.854 1.00 30.62 C ATOM 934 C MET B 304 59.406 -1.718 -0.503 1.00 26.38 C ATOM 935 O MET B 304 58.793 -0.651 -0.389 1.00 26.85 O ATOM 936 CB MET B 304 61.272 -1.535 -2.166 1.00 35.12 C ATOM 937 CG MET B 304 62.302 -1.637 -1.065 1.00 37.89 C ATOM 938 SD MET B 304 63.830 -0.842 -1.573 1.00 45.58 S ATOM 939 CE MET B 304 64.250 -1.813 -3.015 1.00 48.77 C ATOM 940 H MET B 304 59.305 -1.302 -3.720 1.00 0.00 H ATOM 941 N TRP B 305 59.650 -2.528 0.524 1.00 22.99 N ATOM 942 CA TRP B 305 59.323 -2.181 1.898 1.00 20.99 C ATOM 943 C TRP B 305 60.419 -2.695 2.817 1.00 19.19 C ATOM 944 O TRP B 305 60.890 -3.826 2.663 1.00 17.22 O ATOM 945 CB TRP B 305 57.969 -2.757 2.320 1.00 20.82 C ATOM 946 CG TRP B 305 57.644 -2.492 3.752 1.00 20.95 C ATOM 947 CD1 TRP B 305 57.102 -1.351 4.276 1.00 21.66 C ATOM 948 CD2 TRP B 305 57.846 -3.383 4.853 1.00 20.86 C ATOM 949 NE1 TRP B 305 56.953 -1.482 5.637 1.00 20.74 N ATOM 950 CE2 TRP B 305 57.402 -2.721 6.014 1.00 21.44 C ATOM 951 CE3 TRP B 305 58.354 -4.682 4.968 1.00 19.81 C ATOM 952 CZ2 TRP B 305 57.454 -3.312 7.275 1.00 23.39 C ATOM 953 CZ3 TRP B 305 58.408 -5.265 6.222 1.00 19.03 C ATOM 954 CH2 TRP B 305 57.958 -4.582 7.358 1.00 21.06 C ATOM 955 HE1 TRP B 305 56.563 -0.759 6.275 1.00 0.00 H ATOM 956 H TRP B 305 60.094 -3.450 0.336 1.00 0.00 H ATOM 957 N ILE B 306 60.824 -1.860 3.769 1.00 19.20 N ATOM 958 CA ILE B 306 61.914 -2.178 4.682 1.00 19.04 C ATOM 959 C ILE B 306 61.410 -2.028 6.111 1.00 19.06 C ATOM 960 O ILE B 306 60.764 -1.029 6.447 1.00 20.00 O ATOM 961 CB ILE B 306 63.145 -1.289 4.422 1.00 19.93 C ATOM 962 CG1 ILE B 306 63.729 -1.612 3.044 1.00 21.07 C ATOM 963 CG2 ILE B 306 64.198 -1.494 5.505 1.00 19.19 C ATOM 964 CD1 ILE B 306 64.568 -0.511 2.451 1.00 23.10 C ATOM 965 H ILE B 306 60.343 -0.943 3.866 1.00 0.00 H ATOM 966 N CYS B 307 61.704 -3.023 6.945 1.00 18.73 N ATOM 967 CA CYS B 307 61.129 -3.137 8.275 1.00 19.51 C ATOM 968 C CYS B 307 61.805 -2.186 9.260 1.00 20.50 C ATOM 969 O CYS B 307 62.846 -1.587 8.981 1.00 20.68 O ATOM 970 CB CYS B 307 61.242 -4.573 8.783 1.00 18.73 C ATOM 971 SG CYS B 307 62.887 -5.042 9.389 1.00 17.72 S ATOM 972 H CYS B 307 62.376 -3.752 6.631 1.00 0.00 H ATOM 973 N GLN B 308 61.192 -2.059 10.440 1.00 22.31 N ATOM 974 CA GLN B 308 61.699 -1.128 11.441 1.00 23.51 C ATOM 975 C GLN B 308 63.085 -1.521 11.932 1.00 23.53 C ATOM 976 O GLN B 308 63.903 -0.646 12.241 1.00 25.31 O ATOM 977 CB GLN B 308 60.729 -1.039 12.620 1.00 26.64 C ATOM 978 CG GLN B 308 61.145 -0.031 13.679 1.00 28.76 C ATOM 979 CD GLN B 308 61.438 1.338 13.092 1.00 30.22 C ATOM 980 OE1 GLN B 308 60.726 1.812 12.207 1.00 30.50 O ATOM 981 NE2 GLN B 308 62.499 1.974 13.573 1.00 31.92 N ATOM 982 HE22 GLN B 308 63.073 1.536 14.321 1.00 0.00 H ATOM 983 HE21 GLN B 308 62.756 2.911 13.201 1.00 0.00 H ATOM 984 H GLN B 308 60.347 -2.629 10.646 1.00 0.00 H ATOM 985 N VAL B 309 63.374 -2.822 12.009 1.00 20.30 N ATOM 986 CA VAL B 309 64.674 -3.250 12.517 1.00 20.84 C ATOM 987 C VAL B 309 65.791 -2.764 11.603 1.00 20.87 C ATOM 988 O VAL B 309 66.849 -2.324 12.069 1.00 23.70 O ATOM 989 CB VAL B 309 64.710 -4.779 12.686 1.00 21.36 C ATOM 990 CG1 VAL B 309 66.006 -5.197 13.358 1.00 21.43 C ATOM 991 CG2 VAL B 309 63.504 -5.253 13.484 1.00 24.01 C ATOM 992 H VAL B 309 62.674 -3.530 11.708 1.00 0.00 H ATOM 993 N CYS B 310 65.570 -2.818 10.289 1.00 18.52 N ATOM 994 CA CYS B 310 66.580 -2.386 9.331 1.00 18.10 C ATOM 995 C CYS B 310 66.699 -0.872 9.229 1.00 21.05 C ATOM 996 O CYS B 310 67.746 -0.377 8.801 1.00 22.09 O ATOM 997 CB CYS B 310 66.272 -2.956 7.948 1.00 17.19 C ATOM 998 SG CYS B 310 66.434 -4.747 7.832 1.00 17.51 S ATOM 999 H CYS B 310 64.658 -3.176 9.940 1.00 0.00 H ATOM 1000 N ARG B 311 65.664 -0.129 9.599 1.00 24.03 N ATOM 1001 CA ARG B 311 65.720 1.316 9.442 1.00 27.87 C ATOM 1002 C ARG B 311 66.662 1.925 10.478 1.00 33.87 C ATOM 1003 O ARG B 311 66.714 1.460 11.622 1.00 31.81 O ATOM 1004 CB ARG B 311 64.328 1.929 9.564 1.00 26.61 C ATOM 1005 CG ARG B 311 63.364 1.403 8.525 1.00 24.84 C ATOM 1006 CD ARG B 311 62.048 2.139 8.547 1.00 25.67 C ATOM 1007 NE ARG B 311 62.228 3.584 8.469 1.00 28.20 N ATOM 1008 CZ ARG B 311 61.272 4.464 8.746 1.00 29.55 C ATOM 1009 NH1 ARG B 311 61.512 5.762 8.649 1.00 30.40 N ATOM 1010 NH2 ARG B 311 60.074 4.041 9.126 1.00 29.46 N ATOM 1011 HE ARG B 311 63.159 3.947 8.180 1.00 0.00 H ATOM 1012 HH12 ARG B 311 60.761 6.447 8.867 1.00 0.00 H ATOM 1013 HH11 ARG B 311 62.452 6.096 8.355 1.00 0.00 H ATOM 1014 HH22 ARG B 311 59.325 4.729 9.343 1.00 0.00 H ATOM 1015 HH21 ARG B 311 59.884 3.022 9.207 1.00 0.00 H ATOM 1016 H ARG B 311 64.816 -0.578 10.000 1.00 0.00 H ATOM 1017 N PRO B 312 67.415 2.956 10.109 1.00 42.20 N ATOM 1018 CA PRO B 312 68.420 3.499 11.027 1.00 52.37 C ATOM 1019 C PRO B 312 67.783 4.191 12.220 1.00 66.32 C ATOM 1020 O PRO B 312 66.640 4.652 12.170 1.00 67.73 O ATOM 1021 CB PRO B 312 69.196 4.494 10.156 1.00 51.71 C ATOM 1022 CG PRO B 312 68.237 4.878 9.081 1.00 48.29 C ATOM 1023 CD PRO B 312 67.404 3.660 8.815 1.00 42.76 C ATOM 1024 N LYS B 313 68.549 4.249 13.305 1.00 48.98 N ATOM 1025 CA LYS B 313 68.131 4.906 14.536 1.00 61.75 C ATOM 1026 C LYS B 313 67.837 6.384 14.303 1.00 68.83 C ATOM 1027 O LYS B 313 68.655 7.104 13.728 1.00 73.38 O ATOM 1028 CB LYS B 313 69.216 4.745 15.602 1.00 70.58 C ATOM 1029 CG LYS B 313 68.829 5.205 16.994 1.00 75.88 C ATOM 1030 CD LYS B 313 70.049 5.195 17.901 1.00 77.49 C ATOM 1031 CE LYS B 313 69.668 5.046 19.362 1.00 77.80 C ATOM 1032 NZ LYS B 313 70.844 4.650 20.188 1.00 79.19 N ATOM 1033 HZ1 LYS B 313 71.215 3.740 19.847 1.00 0.00 H ATOM 1034 HZ2 LYS B 313 71.582 5.378 20.110 1.00 0.00 H ATOM 1035 HZ3 LYS B 313 70.552 4.556 21.182 1.00 0.00 H ATOM 1036 H LYS B 313 69.489 3.805 13.273 1.00 0.00 H TER 1037 LYS B 313 HETATM 1038 ZN ZN A 1 64.321 -5.731 7.772 1.00 17.14 ZN HETATM 1039 ZN ZN A 2 52.713 -9.254 14.834 1.00 23.45 ZN HETATM 1040 ZN ZN A 3 67.096 -24.998 -5.246 1.00 23.89 ZN HETATM 1041 ZN ZN A 4 60.599 -23.679 8.651 1.00 20.02 ZN HETATM 1042 O HOH 5 54.285 -18.155 8.885 1.00 55.26 O HETATM 1043 O HOH 6 59.995 -30.160 -1.182 1.00 35.20 O HETATM 1044 O HOH 7 59.933 -34.324 -1.264 1.00 58.99 O HETATM 1045 O HOH 8 59.436 -24.182 -7.494 1.00 42.82 O HETATM 1046 O HOH 9 57.634 -19.541 -1.201 1.00 30.12 O HETATM 1047 O HOH 10 50.464 -17.371 -4.357 1.00 48.82 O HETATM 1048 O HOH 11 53.357 -21.565 -5.652 1.00 56.51 O HETATM 1049 O HOH 12 57.551 -12.077 -3.239 1.00 22.59 O HETATM 1050 O HOH 13 56.719 -5.643 -3.862 1.00 36.36 O HETATM 1051 O HOH 14 55.421 -12.631 -7.142 1.00 43.54 O HETATM 1052 O HOH 15 56.854 -22.048 -0.300 1.00 31.56 O HETATM 1053 O HOH 16 49.610 -13.365 1.279 1.00 23.71 O HETATM 1054 O HOH 17 55.635 -22.827 -2.272 1.00 46.18 O HETATM 1055 O HOH 18 55.183 -24.089 -9.308 1.00 58.40 O HETATM 1056 O HOH 19 59.807 -13.437 -2.405 1.00 34.23 O HETATM 1057 O HOH 20 55.314 -7.884 -4.678 1.00 56.01 O HETATM 1058 O HOH 21 49.605 -18.403 -1.821 1.00 56.52 O HETATM 1059 O HOH 22 51.284 -19.162 -6.278 1.00 48.50 O HETATM 1060 O HOH 23 43.728 -13.612 -4.988 1.00 67.48 O HETATM 1061 O HOH 24 58.697 -29.992 0.771 1.00 50.39 O HETATM 1062 O HOH 25 59.532 -18.553 0.386 1.00 36.35 O HETATM 1063 O HOH 26 61.766 -31.984 0.489 1.00 43.53 O HETATM 1064 O HOH 27 50.262 -13.793 8.850 1.00 49.51 O HETATM 1065 O HOH 28 70.342 -32.797 13.344 1.00 46.82 O HETATM 1066 O HOH 29 64.035 -29.358 13.064 1.00 46.21 O HETATM 1067 O HOH 30 54.301 -22.048 1.517 1.00 53.29 O HETATM 1068 O HOH 31 59.134 1.651 10.622 1.00 43.33 O HETATM 1069 O HOH 32 69.407 -5.543 6.146 1.00 53.04 O HETATM 1070 O HOH 33 74.853 -25.156 2.178 1.00 25.90 O HETATM 1071 O HOH 34 65.823 0.111 13.511 1.00 35.32 O HETATM 1072 O HOH 35 65.758 -31.651 10.380 1.00 58.36 O HETATM 1073 O HOH 36 62.965 -7.621 -2.605 1.00 51.34 O HETATM 1074 O HOH 37 56.422 0.595 -1.054 1.00 31.77 O HETATM 1075 O HOH 38 50.368 1.036 3.060 1.00 59.43 O HETATM 1076 O HOH 39 73.337 -17.654 -3.647 1.00 39.54 O HETATM 1077 O HOH 40 51.204 -12.770 3.678 1.00 25.56 O HETATM 1078 O HOH 41 43.785 -2.566 3.230 1.00 49.26 O HETATM 1079 O HOH 42 43.080 -14.622 0.354 1.00 55.33 O HETATM 1080 O HOH 43 68.660 -22.179 -8.419 1.00 31.27 O HETATM 1081 O HOH 44 48.717 3.776 10.751 1.00 53.72 O HETATM 1082 O HOH 45 81.189 -30.052 1.660 1.00 57.63 O HETATM 1083 O HOH 46 72.268 -25.469 5.894 1.00 35.50 O HETATM 1084 O HOH 47 64.711 -13.672 11.843 1.00 28.62 O HETATM 1085 O HOH 48 54.164 1.917 8.426 1.00 26.96 O HETATM 1086 O HOH 49 48.325 -15.804 2.286 1.00 42.63 O HETATM 1087 O HOH 50 73.745 -24.155 4.613 1.00 41.92 O HETATM 1088 O HOH 51 62.195 -21.463 -6.852 1.00 29.15 O HETATM 1089 O HOH 52 54.007 -4.252 -5.055 1.00 51.20 O HETATM 1090 O HOH 53 62.763 -26.433 16.074 1.00 51.07 O HETATM 1091 O HOH 54 78.920 -28.932 -7.652 1.00 31.59 O HETATM 1092 O HOH 55 64.453 -28.631 2.423 1.00 16.86 O HETATM 1093 O HOH 56 60.148 0.950 4.775 1.00 20.96 O HETATM 1094 O HOH 57 52.388 -11.385 21.274 1.00 48.96 O HETATM 1095 O HOH 58 66.923 -27.345 -13.203 1.00 47.30 O HETATM 1096 O HOH 59 63.207 -14.980 9.014 1.00 23.74 O HETATM 1097 O HOH 60 61.980 -14.524 11.378 1.00 16.24 O HETATM 1098 O HOH 61 68.067 -25.585 10.495 1.00 35.01 O HETATM 1099 O HOH 62 62.368 -12.139 14.755 1.00 19.46 O HETATM 1100 O HOH 63 60.215 -12.436 11.307 1.00 19.36 O HETATM 1101 O HOH 64 58.205 -6.204 1.061 1.00 23.71 O HETATM 1102 O HOH 65 78.589 -26.822 -11.692 1.00 53.00 O HETATM 1103 O HOH 66 52.999 -18.696 16.266 1.00 32.95 O HETATM 1104 O HOH 67 60.835 -16.393 3.825 1.00 27.47 O HETATM 1105 O HOH 68 60.652 -14.682 1.573 1.00 25.52 O HETATM 1106 O HOH 69 65.452 -7.413 -1.901 1.00 45.00 O HETATM 1107 O HOH 70 72.713 -30.290 6.707 1.00 56.21 O HETATM 1108 O HOH 71 61.022 -24.915 16.427 1.00 26.32 O HETATM 1109 O HOH 72 59.049 -15.624 17.447 1.00 42.78 O HETATM 1110 O HOH 73 73.727 -29.743 0.648 1.00 24.94 O HETATM 1111 O HOH 74 59.292 0.338 8.400 1.00 54.44 O HETATM 1112 O HOH 75 65.413 -10.290 -3.180 1.00 47.02 O HETATM 1113 O HOH 76 57.430 -21.040 14.151 1.00 42.48 O HETATM 1114 O HOH 77 60.001 -27.847 3.092 1.00 51.75 O HETATM 1115 O HOH 78 59.190 -27.724 -7.074 1.00 40.68 O HETATM 1116 O HOH 79 39.675 -17.755 11.176 1.00 62.01 O HETATM 1117 O HOH 80 51.091 3.044 7.838 1.00 40.31 O HETATM 1118 O HOH 81 59.253 -5.733 -2.936 1.00 31.28 O HETATM 1119 O HOH 82 68.277 -23.952 14.493 1.00 48.38 O HETATM 1120 O HOH 83 61.135 -29.690 7.603 1.00 44.42 O HETATM 1121 O HOH 84 52.146 -1.394 15.722 1.00 44.57 O HETATM 1122 O HOH 85 80.655 -31.216 -2.098 1.00 68.63 O HETATM 1123 O HOH 86 74.338 -20.599 4.021 1.00 63.44 O HETATM 1124 O HOH 87 76.975 -20.096 -2.340 1.00 35.78 O HETATM 1125 O HOH 88 68.468 -20.092 17.269 1.00 41.72 O HETATM 1126 O HOH 89 78.475 -24.874 -2.475 1.00 39.04 O HETATM 1127 O HOH 90 57.268 -0.639 10.096 1.00 27.51 O HETATM 1128 O HOH 91 69.436 -19.095 11.004 1.00 32.79 O HETATM 1129 O HOH 92 61.617 -12.297 -4.520 1.00 51.59 O HETATM 1130 O HOH 93 64.783 -13.132 8.600 1.00 27.00 O HETATM 1131 O HOH 94 59.907 -1.063 -5.572 1.00 26.56 O HETATM 1132 O HOH 95 72.329 -32.391 -5.821 1.00 26.72 O HETATM 1133 O HOH 96 53.611 -23.163 11.197 1.00 49.44 O HETATM 1134 O HOH 97 63.733 -16.595 14.149 1.00 23.34 O HETATM 1135 O HOH 98 64.876 -25.379 16.593 1.00 47.53 O HETATM 1136 O HOH 99 56.431 0.855 7.476 1.00 23.87 O HETATM 1137 O HOH 100 68.333 -5.801 10.128 1.00 22.35 O HETATM 1138 O HOH 101 66.353 -17.301 -9.865 1.00 52.47 O HETATM 1139 O HOH 102 52.494 1.950 -1.594 1.00 45.41 O HETATM 1140 O HOH 103 70.853 -8.657 8.971 1.00 51.00 O HETATM 1141 O HOH 104 65.047 -27.025 -11.599 1.00 48.40 O HETATM 1142 O HOH 105 68.671 -2.740 14.556 1.00 50.05 O HETATM 1143 O HOH 106 49.260 2.219 5.567 1.00 45.15 O HETATM 1144 O HOH 107 60.878 -16.333 -0.708 1.00 23.06 O HETATM 1145 O HOH 108 59.411 -18.533 16.667 1.00 35.93 O HETATM 1146 O HOH 109 68.284 -1.243 0.962 1.00 52.87 O HETATM 1147 O HOH 110 61.487 -14.712 14.787 1.00 32.50 O HETATM 1148 O HOH 111 50.302 -18.304 16.026 1.00 54.78 O HETATM 1149 O HOH 112 61.026 -18.911 2.576 1.00 34.66 O HETATM 1150 O HOH 113 69.703 -3.903 11.819 1.00 55.01 O HETATM 1151 O HOH 114 47.095 -12.244 12.007 1.00 45.11 O HETATM 1152 O HOH 115 68.556 -33.497 8.523 1.00 49.49 O HETATM 1153 O HOH 116 62.665 -16.161 16.080 1.00 43.76 O HETATM 1154 O HOH 117 47.895 -11.090 14.122 1.00 52.03 O HETATM 1155 O HOH 118 79.011 -22.305 -3.573 1.00 50.12 O HETATM 1156 O HOH 119 59.807 -5.199 17.063 1.00 46.83 O HETATM 1157 O HOH 120 49.820 -11.119 17.140 1.00 46.03 O HETATM 1158 O HOH 121 73.662 -14.699 -3.476 1.00 49.72 O HETATM 1159 O HOH 122 62.972 -31.003 2.693 1.00 37.43 O HETATM 1160 O HOH 123 59.860 -7.726 -4.647 1.00 51.46 O HETATM 1161 O HOH 124 73.869 -20.128 6.221 1.00 55.28 O HETATM 1162 O HOH 125 54.826 2.528 -0.343 1.00 29.60 O HETATM 1163 O HOH 126 67.094 -20.815 -10.254 1.00 62.09 O HETATM 1164 O HOH 127 58.270 -25.399 13.058 1.00 44.80 O HETATM 1165 O HOH 128 72.677 -28.076 4.757 1.00 35.57 O HETATM 1166 O HOH 129 57.780 -23.470 15.312 1.00 56.03 O HETATM 1167 O HOH 130 59.744 -24.794 18.586 1.00 45.65 O HETATM 1168 O HOH 131 41.798 3.600 -0.540 1.00 55.01 O HETATM 1169 O HOH 132 70.162 -24.118 11.192 1.00 42.32 O HETATM 1170 O HOH 133 70.722 -19.515 13.393 1.00 54.11 O HETATM 1171 O HOH 134 74.310 -28.085 2.748 1.00 27.89 O HETATM 1172 O HOH 135 67.935 -34.715 6.156 1.00 45.36 O HETATM 1173 O HOH 136 69.855 -22.256 13.994 1.00 61.08 O HETATM 1174 O HOH 137 49.624 6.366 10.207 1.00 23.85 O HETATM 1175 N ALA A 138 54.876 -4.717 -1.839 1.00 0.24 N HETATM 1176 CA ALA A 138 55.474 -5.458 -0.734 1.00 0.06 C HETATM 1177 C ALA A 138 55.437 -6.955 -1.004 1.00 0.23 C HETATM 1178 O ALA A 138 54.582 -7.444 -1.746 1.00 -0.39 O HETATM 1179 N ALA A 138 56.368 -7.686 -0.400 1.00 -0.26 N HETATM 1180 CA ALA A 138 56.390 -9.136 -0.522 1.00 0.13 C HETATM 1181 C ALA A 138 55.505 -9.750 0.553 1.00 0.20 C HETATM 1182 O ALA A 138 55.603 -9.394 1.731 1.00 -0.39 O HETATM 1183 N ALA A 138 54.622 -10.651 0.136 1.00 -0.26 N HETATM 1184 CA ALA A 138 53.703 -11.341 1.025 1.00 0.16 C HETATM 1185 C ALA A 138 53.843 -12.838 0.795 1.00 0.21 C HETATM 1186 O ALA A 138 54.577 -13.286 -0.091 1.00 -0.39 O HETATM 1187 N ALA A 138 53.125 -13.619 1.602 1.00 -0.26 N HETATM 1188 CA ALA A 138 53.114 -15.060 1.386 1.00 0.13 C HETATM 1189 C ALA A 138 52.578 -15.398 0.001 1.00 0.20 C HETATM 1190 O ALA A 138 53.081 -16.314 -0.658 1.00 -0.39 O HETATM 1191 N ALA A 138 51.585 -14.641 -0.476 1.00 -0.26 N HETATM 1192 CA ALA A 138 51.055 -14.878 -1.816 1.00 0.13 C HETATM 1193 C ALA A 138 52.101 -14.583 -2.887 1.00 0.20 C HETATM 1194 O ALA A 138 52.334 -15.404 -3.781 1.00 -0.39 O HETATM 1195 N ALA A 138 52.746 -13.413 -2.815 1.00 -0.26 N HETATM 1196 CA ALA A 138 53.714 -13.063 -3.851 1.00 0.16 C HETATM 1197 C ALA A 138 54.948 -13.954 -3.777 1.00 0.21 C HETATM 1198 O ALA A 138 55.503 -14.340 -4.813 1.00 -0.39 O HETATM 1199 N ALA A 138 55.385 -14.304 -2.565 1.00 -0.26 N HETATM 1200 CA ALA A 138 56.574 -15.138 -2.423 1.00 0.13 C HETATM 1201 C ALA A 138 56.354 -16.523 -3.019 1.00 0.20 C HETATM 1202 O ALA A 138 57.228 -17.051 -3.718 1.00 -0.39 O HETATM 1203 N ALA A 138 55.190 -17.127 -2.761 1.00 -0.26 N HETATM 1204 CA ALA A 138 54.923 -18.459 -3.291 1.00 0.13 C HETATM 1205 C ALA A 138 54.786 -18.448 -4.808 1.00 0.20 C HETATM 1206 O ALA A 138 55.167 -19.421 -5.468 1.00 -0.39 O HETATM 1207 N ALA A 138 54.243 -17.372 -5.380 1.00 -0.26 N HETATM 1208 CA ALA A 138 54.188 -17.279 -6.835 1.00 0.13 C HETATM 1209 C ALA A 138 55.584 -17.115 -7.421 1.00 0.20 C HETATM 1210 O ALA A 138 55.888 -17.659 -8.489 1.00 -0.39 O HETATM 1211 N ALA A 138 56.451 -16.380 -6.723 1.00 -0.26 N HETATM 1212 CA ALA A 138 57.796 -16.142 -7.230 1.00 0.15 C HETATM 1213 C ALA A 138 58.648 -17.406 -7.154 1.00 0.21 C HETATM 1214 O ALA A 138 59.371 -17.729 -8.104 1.00 -0.39 O HETATM 1215 N ALA A 138 58.569 -18.142 -6.042 1.00 -0.26 N HETATM 1216 CA ALA A 138 59.328 -19.380 -5.912 1.00 0.16 C HETATM 1217 C ALA A 138 58.666 -20.555 -6.615 1.00 0.21 C HETATM 1218 O ALA A 138 59.361 -21.510 -6.981 1.00 -0.39 O HETATM 1219 N ALA A 138 57.352 -20.511 -6.808 1.00 -0.27 N HETATM 1220 CA ALA A 138 56.623 -21.681 -7.248 1.00 0.12 C HETATM 1221 C ALA A 138 56.417 -22.652 -6.102 1.00 0.20 C HETATM 1222 O ALA A 138 56.798 -22.412 -4.955 1.00 -0.39 O HETATM 1223 N ALA A 138 55.801 -23.780 -6.428 1.00 -0.27 N HETATM 1224 CA ALA A 138 55.511 -24.786 -5.425 1.00 0.12 C HETATM 1225 C ALA A 138 56.745 -25.507 -4.919 1.00 0.20 C HETATM 1226 O ALA A 138 57.769 -25.561 -5.601 1.00 -0.39 O HETATM 1227 N ALA A 138 56.653 -26.044 -3.708 1.00 -0.26 N HETATM 1228 CA ALA A 138 57.671 -26.923 -3.203 1.00 0.13 C HETATM 1229 C ALA A 138 57.610 -28.229 -3.979 1.00 0.20 C HETATM 1230 O ALA A 138 56.552 -28.731 -4.372 1.00 -0.39 O HETATM 1231 N ALA A 138 58.782 -28.801 -4.222 1.00 -0.26 N HETATM 1232 CA ALA A 138 58.853 -30.052 -4.966 1.00 0.13 C HETATM 1233 C ALA A 138 58.291 -31.201 -4.140 1.00 0.21 C HETATM 1234 O ALA A 138 58.720 -31.428 -3.010 1.00 -0.39 O HETATM 1235 N ALA A 138 57.313 -31.925 -4.703 1.00 -0.26 N HETATM 1236 CA ALA A 138 56.712 -33.090 -4.048 1.00 0.10 C HETATM 1237 C ALA A 138 57.624 -34.312 -4.086 1.00 0.06 C HETATM 1238 O ALA A 138 58.033 -34.786 -3.027 1.00 -0.57 O HETATM 1239 OXT ALA A 138 57.930 -34.796 -5.175 1.00 -0.57 O HETATM 1240 CB ALA A 138 55.445 -33.331 -4.868 1.00 -0.02 C HETATM 1241 CG ALA A 138 55.791 -32.822 -6.225 1.00 -0.03 C HETATM 1242 CD ALA A 138 56.670 -31.626 -5.995 1.00 0.04 C HETATM 1243 H133 ALA A 138 57.419 -31.527 -6.795 1.00 0.05 H HETATM 1244 H134 ALA A 138 56.074 -30.704 -5.935 1.00 0.05 H HETATM 1245 H131 ALA A 138 54.881 -32.531 -6.770 1.00 0.03 H HETATM 1246 H132 ALA A 138 56.331 -33.591 -6.798 1.00 0.03 H HETATM 1247 H129 ALA A 138 54.595 -32.774 -4.447 1.00 0.03 H HETATM 1248 H130 ALA A 138 55.200 -34.403 -4.903 1.00 0.03 H HETATM 1249 H128 ALA A 138 56.464 -32.860 -3.001 1.00 0.07 H HETATM 1250 CB ALA A 138 60.281 -30.343 -5.382 1.00 -0.02 C HETATM 1251 H125 ALA A 138 60.314 -31.290 -5.941 1.00 0.03 H HETATM 1252 H126 ALA A 138 60.915 -30.424 -4.487 1.00 0.03 H HETATM 1253 H127 ALA A 138 60.651 -29.527 -6.020 1.00 0.03 H HETATM 1254 H124 ALA A 138 58.242 -29.949 -5.875 1.00 0.08 H HETATM 1255 H123 ALA A 138 59.622 -28.371 -3.892 1.00 0.19 H HETATM 1256 CB ALA A 138 57.524 -27.266 -1.713 1.00 -0.01 C HETATM 1257 CG ALA A 138 57.722 -26.059 -0.824 1.00 -0.05 C HETATM 1258 CD ALA A 138 57.071 -26.290 0.523 1.00 -0.03 C HETATM 1259 CE ALA A 138 57.310 -25.081 1.433 1.00 0.03 C HETATM 1260 NZ ALA A 138 58.634 -25.018 1.983 1.00 -0.29 N HETATM 1261 CAN ALA A 138 59.411 -23.874 2.005 1.00 0.18 C HETATM 1262 OAD ALA A 138 59.000 -22.793 1.539 1.00 -0.40 O HETATM 1263 CAJ ALA A 138 60.784 -24.018 2.634 1.00 0.04 C HETATM 1264 CAF ALA A 138 61.766 -23.013 2.072 1.00 -0.04 C HETATM 1265 CAA ALA A 138 63.134 -23.219 2.666 1.00 -0.06 C HETATM 1266 H116 ALA A 138 63.831 -22.480 2.245 1.00 0.02 H HETATM 1267 H117 ALA A 138 63.488 -24.233 2.429 1.00 0.02 H HETATM 1268 H118 ALA A 138 63.082 -23.094 3.758 1.00 0.02 H HETATM 1269 H119 ALA A 138 61.824 -23.136 0.980 1.00 0.03 H HETATM 1270 H120 ALA A 138 61.418 -21.997 2.309 1.00 0.03 H HETATM 1271 H121 ALA A 138 60.697 -23.862 3.719 1.00 0.05 H HETATM 1272 H122 ALA A 138 61.161 -25.033 2.438 1.00 0.05 H HETATM 1273 H115 ALA A 138 59.019 -25.854 2.375 1.00 0.18 H HETATM 1274 H111 ALA A 138 56.592 -25.127 2.265 1.00 0.05 H HETATM 1275 H112 ALA A 138 57.135 -24.167 0.847 1.00 0.05 H HETATM 1276 H109 ALA A 138 55.989 -26.434 0.385 1.00 0.03 H HETATM 1277 H110 ALA A 138 57.504 -27.188 0.988 1.00 0.03 H HETATM 1278 H113 ALA A 138 57.268 -25.178 -1.301 1.00 0.03 H HETATM 1279 H114 ALA A 138 58.799 -25.885 -0.682 1.00 0.03 H HETATM 1280 H107 ALA A 138 58.274 -28.026 -1.449 1.00 0.03 H HETATM 1281 H108 ALA A 138 56.516 -27.670 -1.541 1.00 0.03 H HETATM 1282 H106 ALA A 138 58.650 -26.445 -3.357 1.00 0.08 H HETATM 1283 H105 ALA A 138 55.860 -25.832 -3.137 1.00 0.19 H HETATM 1284 H103 ALA A 138 54.829 -25.529 -5.864 1.00 0.08 H HETATM 1285 H104 ALA A 138 55.020 -24.296 -4.572 1.00 0.08 H HETATM 1286 H102 ALA A 138 55.533 -23.939 -7.378 1.00 0.19 H HETATM 1287 H100 ALA A 138 57.192 -22.181 -8.046 1.00 0.08 H HETATM 1288 H101 ALA A 138 55.642 -21.369 -7.637 1.00 0.08 H HETATM 1289 H99 ALA A 138 56.859 -19.656 -6.647 1.00 0.19 H HETATM 1290 CB ALA A 138 59.522 -19.755 -4.441 1.00 0.09 C HETATM 1291 OG1 ALA A 138 58.252 -20.071 -3.851 1.00 -0.39 O HETATM 1292 H95 ALA A 138 57.862 -20.803 -4.314 1.00 0.21 H HETATM 1293 CG2 ALA A 138 60.189 -18.624 -3.670 1.00 -0.03 C HETATM 1294 H96 ALA A 138 60.315 -18.922 -2.619 1.00 0.03 H HETATM 1295 H97 ALA A 138 59.560 -17.723 -3.723 1.00 0.03 H HETATM 1296 H98 ALA A 138 61.174 -18.410 -4.111 1.00 0.03 H HETATM 1297 H94 ALA A 138 60.169 -20.643 -4.388 1.00 0.06 H HETATM 1298 H93 ALA A 138 60.316 -19.217 -6.367 1.00 0.08 H HETATM 1299 H92 ALA A 138 57.983 -17.840 -5.290 1.00 0.19 H HETATM 1300 CB ALA A 138 58.438 -14.992 -6.454 1.00 0.08 C HETATM 1301 OG ALA A 138 59.830 -14.929 -6.682 1.00 -0.39 O HETATM 1302 H91 ALA A 138 60.198 -14.206 -6.187 1.00 0.21 H HETATM 1303 H89 ALA A 138 58.258 -15.141 -5.379 1.00 0.06 H HETATM 1304 H90 ALA A 138 57.980 -14.045 -6.774 1.00 0.06 H HETATM 1305 H88 ALA A 138 57.720 -15.846 -8.287 1.00 0.08 H HETATM 1306 H87 ALA A 138 56.176 -15.989 -5.845 1.00 0.19 H HETATM 1307 CB ALA A 138 53.288 -16.118 -7.260 1.00 -0.01 C HETATM 1308 CG ALA A 138 53.450 -15.735 -8.727 1.00 -0.04 C HETATM 1309 CD ALA A 138 52.545 -14.587 -9.145 1.00 -0.01 C HETATM 1310 CE ALA A 138 51.296 -14.505 -8.282 1.00 -0.04 C HETATM 1311 NZ ALA A 138 50.417 -13.387 -8.720 1.00 0.22 N HETATM 1312 H84 ALA A 138 49.598 -13.354 -8.133 1.00 0.20 H HETATM 1313 H85 ALA A 138 50.139 -13.534 -9.678 1.00 0.20 H HETATM 1314 H86 ALA A 138 50.919 -12.516 -8.646 1.00 0.20 H HETATM 1315 H82 ALA A 138 51.592 -14.341 -7.235 1.00 0.08 H HETATM 1316 H83 ALA A 138 50.741 -15.451 -8.362 1.00 0.08 H HETATM 1317 H80 ALA A 138 52.244 -14.735 -10.193 1.00 0.03 H HETATM 1318 H81 ALA A 138 53.103 -13.643 -9.053 1.00 0.03 H HETATM 1319 H78 ALA A 138 53.212 -16.612 -9.347 1.00 0.03 H HETATM 1320 H79 ALA A 138 54.495 -15.438 -8.898 1.00 0.03 H HETATM 1321 H76 ALA A 138 53.533 -15.242 -6.641 1.00 0.03 H HETATM 1322 H77 ALA A 138 52.241 -16.407 -7.088 1.00 0.03 H HETATM 1323 H75 ALA A 138 53.757 -18.213 -7.225 1.00 0.08 H HETATM 1324 H74 ALA A 138 53.876 -16.633 -4.815 1.00 0.19 H HETATM 1325 CB ALA A 138 53.665 -19.045 -2.651 1.00 -0.01 C HETATM 1326 CG ALA A 138 53.804 -19.370 -1.171 1.00 -0.02 C HETATM 1327 CD ALA A 138 52.680 -20.292 -0.719 1.00 0.06 C HETATM 1328 NE ALA A 138 52.688 -20.523 0.722 1.00 -0.27 N HETATM 1329 CZ ALA A 138 51.838 -19.958 1.574 1.00 0.29 C HETATM 1330 NH1 ALA A 138 50.901 -19.131 1.131 1.00 -0.28 N HETATM 1331 H70 ALA A 138 50.244 -18.695 1.794 1.00 0.26 H HETATM 1332 H71 ALA A 138 50.830 -18.925 0.124 1.00 0.26 H HETATM 1333 NH2 ALA A 138 51.918 -20.228 2.870 1.00 -0.28 N HETATM 1334 H72 ALA A 138 52.644 -20.870 3.219 1.00 0.26 H HETATM 1335 H73 ALA A 138 51.254 -19.796 3.528 1.00 0.26 H HETATM 1336 H69 ALA A 138 53.398 -21.165 1.103 1.00 0.26 H HETATM 1337 H67 ALA A 138 52.790 -21.259 -1.231 1.00 0.07 H HETATM 1338 H68 ALA A 138 51.718 -19.837 -0.997 1.00 0.07 H HETATM 1339 H65 ALA A 138 53.762 -18.437 -0.590 1.00 0.03 H HETATM 1340 H66 ALA A 138 54.770 -19.866 -0.999 1.00 0.03 H HETATM 1341 H63 ALA A 138 53.408 -19.972 -3.184 1.00 0.03 H HETATM 1342 H64 ALA A 138 52.849 -18.317 -2.768 1.00 0.03 H HETATM 1343 H62 ALA A 138 55.775 -19.105 -3.031 1.00 0.08 H HETATM 1344 H61 ALA A 138 54.501 -16.665 -2.203 1.00 0.19 H HETATM 1345 CB ALA A 138 56.973 -15.244 -0.952 1.00 -0.02 C HETATM 1346 H58 ALA A 138 57.870 -15.875 -0.860 1.00 0.03 H HETATM 1347 H59 ALA A 138 56.148 -15.694 -0.380 1.00 0.03 H HETATM 1348 H60 ALA A 138 57.189 -14.240 -0.557 1.00 0.03 H HETATM 1349 H57 ALA A 138 57.398 -14.657 -2.971 1.00 0.08 H HETATM 1350 H56 ALA A 138 54.895 -13.993 -1.750 1.00 0.19 H HETATM 1351 CB ALA A 138 54.115 -11.587 -3.752 1.00 0.09 C HETATM 1352 OG1 ALA A 138 54.882 -11.365 -2.563 1.00 -0.39 O HETATM 1353 H52 ALA A 138 55.666 -11.901 -2.589 1.00 0.21 H HETATM 1354 CG2 ALA A 138 52.883 -10.689 -3.739 1.00 -0.03 C HETATM 1355 H53 ALA A 138 53.197 -9.637 -3.668 1.00 0.03 H HETATM 1356 H54 ALA A 138 52.253 -10.943 -2.874 1.00 0.03 H HETATM 1357 H55 ALA A 138 52.310 -10.839 -4.666 1.00 0.03 H HETATM 1358 H51 ALA A 138 54.731 -11.330 -4.627 1.00 0.06 H HETATM 1359 H50 ALA A 138 53.236 -13.223 -4.829 1.00 0.08 H HETATM 1360 H49 ALA A 138 52.567 -12.784 -2.059 1.00 0.19 H HETATM 1361 CB ALA A 138 49.796 -14.042 -2.052 1.00 0.00 C HETATM 1362 CG ALA A 138 49.366 -14.010 -3.515 1.00 0.04 C HETATM 1363 CD ALA A 138 47.880 -13.769 -3.696 1.00 0.17 C HETATM 1364 OE1 ALA A 138 47.179 -13.393 -2.757 1.00 -0.40 O HETATM 1365 NE2 ALA A 138 47.391 -13.987 -4.911 1.00 -0.30 N HETATM 1366 H47 ALA A 138 46.418 -13.845 -5.091 1.00 0.18 H HETATM 1367 H48 ALA A 138 47.996 -14.293 -5.646 1.00 0.18 H HETATM 1368 H45 ALA A 138 49.622 -14.975 -3.976 1.00 0.05 H HETATM 1369 H46 ALA A 138 49.915 -13.204 -4.023 1.00 0.05 H HETATM 1370 H43 ALA A 138 49.993 -13.011 -1.722 1.00 0.03 H HETATM 1371 H44 ALA A 138 48.976 -14.468 -1.455 1.00 0.03 H HETATM 1372 H42 ALA A 138 50.781 -15.941 -1.891 1.00 0.08 H HETATM 1373 H41 ALA A 138 51.203 -13.909 0.088 1.00 0.19 H HETATM 1374 CB ALA A 138 52.302 -15.750 2.481 1.00 -0.01 C HETATM 1375 CG ALA A 138 52.996 -15.719 3.838 1.00 -0.04 C HETATM 1376 CD ALA A 138 52.318 -16.616 4.856 1.00 -0.01 C HETATM 1377 CE ALA A 138 53.091 -16.619 6.168 1.00 -0.04 C HETATM 1378 NZ ALA A 138 52.693 -17.747 7.053 1.00 0.22 N HETATM 1379 H38 ALA A 138 53.228 -17.709 7.906 1.00 0.20 H HETATM 1380 H39 ALA A 138 52.870 -18.621 6.583 1.00 0.20 H HETATM 1381 H40 ALA A 138 51.711 -17.675 7.269 1.00 0.20 H HETATM 1382 H36 ALA A 138 52.900 -15.672 6.694 1.00 0.08 H HETATM 1383 H37 ALA A 138 54.165 -16.705 5.946 1.00 0.08 H HETATM 1384 H34 ALA A 138 52.273 -17.642 4.461 1.00 0.03 H HETATM 1385 H35 ALA A 138 51.297 -16.248 5.039 1.00 0.03 H HETATM 1386 H32 ALA A 138 52.986 -14.686 4.216 1.00 0.03 H HETATM 1387 H33 ALA A 138 54.036 -16.053 3.710 1.00 0.03 H HETATM 1388 H30 ALA A 138 52.142 -16.799 2.192 1.00 0.03 H HETATM 1389 H31 ALA A 138 51.331 -15.242 2.571 1.00 0.03 H HETATM 1390 H29 ALA A 138 54.150 -15.425 1.447 1.00 0.08 H HETATM 1391 H28 ALA A 138 52.597 -13.219 2.351 1.00 0.19 H HETATM 1392 CB ALA A 138 52.252 -10.902 0.789 1.00 0.09 C HETATM 1393 OG1 ALA A 138 51.807 -11.396 -0.481 1.00 -0.39 O HETATM 1394 H24 ALA A 138 50.908 -11.125 -0.628 1.00 0.21 H HETATM 1395 CG2 ALA A 138 52.142 -9.384 0.794 1.00 -0.03 C HETATM 1396 H25 ALA A 138 51.095 -9.092 0.623 1.00 0.03 H HETATM 1397 H26 ALA A 138 52.774 -8.968 -0.005 1.00 0.03 H HETATM 1398 H27 ALA A 138 52.477 -8.995 1.767 1.00 0.03 H HETATM 1399 H23 ALA A 138 51.616 -11.314 1.587 1.00 0.06 H HETATM 1400 H22 ALA A 138 53.973 -11.109 2.066 1.00 0.08 H HETATM 1401 H21 ALA A 138 54.588 -10.865 -0.840 1.00 0.19 H HETATM 1402 CB ALA A 138 57.820 -9.670 -0.422 1.00 -0.01 C HETATM 1403 CG ALA A 138 58.720 -9.154 -1.536 1.00 -0.02 C HETATM 1404 CD ALA A 138 60.039 -9.911 -1.606 1.00 0.06 C HETATM 1405 NE ALA A 138 60.775 -9.837 -0.349 1.00 -0.27 N HETATM 1406 CZ ALA A 138 60.998 -10.874 0.451 1.00 0.29 C HETATM 1407 NH1 ALA A 138 60.548 -12.079 0.125 1.00 -0.28 N HETATM 1408 H17 ALA A 138 60.723 -12.880 0.748 1.00 0.26 H HETATM 1409 H18 ALA A 138 60.023 -12.213 -0.751 1.00 0.26 H HETATM 1410 NH2 ALA A 138 61.675 -10.707 1.577 1.00 -0.28 N HETATM 1411 H19 ALA A 138 62.026 -9.773 1.833 1.00 0.26 H HETATM 1412 H20 ALA A 138 61.851 -11.511 2.196 1.00 0.26 H HETATM 1413 H16 ALA A 138 61.147 -8.920 -0.062 1.00 0.26 H HETATM 1414 H14 ALA A 138 60.657 -9.477 -2.406 1.00 0.07 H HETATM 1415 H15 ALA A 138 59.832 -10.967 -1.835 1.00 0.07 H HETATM 1416 H12 ALA A 138 58.931 -8.090 -1.356 1.00 0.03 H HETATM 1417 H13 ALA A 138 58.195 -9.267 -2.496 1.00 0.03 H HETATM 1418 H10 ALA A 138 57.790 -10.768 -0.474 1.00 0.03 H HETATM 1419 H11 ALA A 138 58.244 -9.361 0.545 1.00 0.03 H HETATM 1420 H9 ALA A 138 55.986 -9.411 -1.508 1.00 0.08 H HETATM 1421 H8 ALA A 138 57.068 -7.230 0.150 1.00 0.19 H HETATM 1422 CB ALA A 138 54.762 -5.140 0.571 1.00 -0.00 C HETATM 1423 H5 ALA A 138 55.227 -5.708 1.390 1.00 0.03 H HETATM 1424 H6 ALA A 138 53.701 -5.419 0.487 1.00 0.03 H HETATM 1425 H7 ALA A 138 54.842 -4.063 0.780 1.00 0.03 H HETATM 1426 H4 ALA A 138 56.526 -5.149 -0.640 1.00 0.11 H HETATM 1427 H1 ALA A 138 54.911 -3.730 -1.639 1.00 0.20 H HETATM 1428 H2 ALA A 138 53.916 -5.003 -1.955 1.00 0.20 H HETATM 1429 H3 ALA A 138 55.387 -4.907 -2.687 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 49 48 1040 CONECT 76 75 1040 CONECT 254 253 1041 CONECT 276 275 1041 CONECT 310 309 312 1040 CONECT 335 334 1040 CONECT 519 518 1041 CONECT 545 544 1041 CONECT 574 573 1039 CONECT 595 594 1039 CONECT 728 727 1038 CONECT 752 751 1038 CONECT 832 831 1039 CONECT 971 970 1038 CONECT 998 997 1038 CONECT 1038 728 752 971 998 CONECT 1039 574 595 832 CONECT 1040 49 76 310 335 CONECT 1041 254 276 519 545 CONECT 1175 1176 1427 1428 1429 CONECT 1176 1175 1177 1422 1426 CONECT 1177 1176 1178 1179 CONECT 1178 1177 CONECT 1179 1177 1180 1421 CONECT 1180 1179 1181 1402 1420 CONECT 1181 1180 1182 1183 CONECT 1182 1181 CONECT 1183 1181 1184 1401 CONECT 1184 1183 1185 1392 1400 CONECT 1185 1184 1186 1187 CONECT 1186 1185 CONECT 1187 1185 1188 1391 CONECT 1188 1187 1189 1374 1390 CONECT 1189 1188 1190 1191 CONECT 1190 1189 CONECT 1191 1189 1192 1373 CONECT 1192 1191 1193 1361 1372 CONECT 1193 1192 1194 1195 CONECT 1194 1193 CONECT 1195 1193 1196 1360 CONECT 1196 1195 1197 1351 1359 CONECT 1197 1196 1198 1199 CONECT 1198 1197 CONECT 1199 1197 1200 1350 CONECT 1200 1199 1201 1345 1349 CONECT 1201 1200 1202 1203 CONECT 1202 1201 CONECT 1203 1201 1204 1344 CONECT 1204 1203 1205 1325 1343 CONECT 1205 1204 1206 1207 CONECT 1206 1205 CONECT 1207 1205 1208 1324 CONECT 1208 1207 1209 1307 1323 CONECT 1209 1208 1210 1211 CONECT 1210 1209 CONECT 1211 1209 1212 1306 CONECT 1212 1211 1213 1300 1305 CONECT 1213 1212 1214 1215 CONECT 1214 1213 CONECT 1215 1213 1216 1299 CONECT 1216 1215 1217 1290 1298 CONECT 1217 1216 1218 1219 CONECT 1218 1217 CONECT 1219 1217 1220 1289 CONECT 1220 1219 1221 1287 1288 CONECT 1221 1220 1222 1223 CONECT 1222 1221 CONECT 1223 1221 1224 1286 CONECT 1224 1223 1225 1284 1285 CONECT 1225 1224 1226 1227 CONECT 1226 1225 CONECT 1227 1225 1228 1283 CONECT 1228 1227 1229 1256 1282 CONECT 1229 1228 1230 1231 CONECT 1230 1229 CONECT 1231 1229 1232 1255 CONECT 1232 1231 1233 1250 1254 CONECT 1233 1232 1234 1235 CONECT 1234 1233 CONECT 1235 1233 1236 1242 CONECT 1236 1235 1237 1240 1249 CONECT 1237 1236 1238 1239 CONECT 1238 1237 CONECT 1239 1237 CONECT 1240 1236 1241 1247 1248 CONECT 1241 1240 1242 1245 1246 CONECT 1242 1235 1241 1243 1244 CONECT 1243 1242 CONECT 1244 1242 CONECT 1245 1241 CONECT 1246 1241 CONECT 1247 1240 CONECT 1248 1240 CONECT 1249 1236 CONECT 1250 1232 1251 1252 1253 CONECT 1251 1250 CONECT 1252 1250 CONECT 1253 1250 CONECT 1254 1232 CONECT 1255 1231 CONECT 1256 1228 1257 1280 1281 CONECT 1257 1256 1258 1278 1279 CONECT 1258 1257 1259 1276 1277 CONECT 1259 1258 1260 1274 1275 CONECT 1260 1259 1261 1273 CONECT 1261 1260 1262 1263 CONECT 1262 1261 CONECT 1263 1261 1264 1271 1272 CONECT 1264 1263 1265 1269 1270 CONECT 1265 1264 1266 1267 1268 CONECT 1266 1265 CONECT 1267 1265 CONECT 1268 1265 CONECT 1269 1264 CONECT 1270 1264 CONECT 1271 1263 CONECT 1272 1263 CONECT 1273 1260 CONECT 1274 1259 CONECT 1275 1259 CONECT 1276 1258 CONECT 1277 1258 CONECT 1278 1257 CONECT 1279 1257 CONECT 1280 1256 CONECT 1281 1256 CONECT 1282 1228 CONECT 1283 1227 CONECT 1284 1224 CONECT 1285 1224 CONECT 1286 1223 CONECT 1287 1220 CONECT 1288 1220 CONECT 1289 1219 CONECT 1290 1216 1291 1293 1297 CONECT 1291 1290 1292 CONECT 1292 1291 CONECT 1293 1290 1294 1295 1296 CONECT 1294 1293 CONECT 1295 1293 CONECT 1296 1293 CONECT 1297 1290 CONECT 1298 1216 CONECT 1299 1215 CONECT 1300 1212 1301 1303 1304 CONECT 1301 1300 1302 CONECT 1302 1301 CONECT 1303 1300 CONECT 1304 1300 CONECT 1305 1212 CONECT 1306 1211 CONECT 1307 1208 1308 1321 1322 CONECT 1308 1307 1309 1319 1320 CONECT 1309 1308 1310 1317 1318 CONECT 1310 1309 1311 1315 1316 CONECT 1311 1310 1312 1313 1314 CONECT 1312 1311 CONECT 1313 1311 CONECT 1314 1311 CONECT 1315 1310 CONECT 1316 1310 CONECT 1317 1309 CONECT 1318 1309 CONECT 1319 1308 CONECT 1320 1308 CONECT 1321 1307 CONECT 1322 1307 CONECT 1323 1208 CONECT 1324 1207 CONECT 1325 1204 1326 1341 1342 CONECT 1326 1325 1327 1339 1340 CONECT 1327 1326 1328 1337 1338 CONECT 1328 1327 1329 1336 CONECT 1329 1328 1330 1333 CONECT 1330 1329 1331 1332 CONECT 1331 1330 CONECT 1332 1330 CONECT 1333 1329 1334 1335 CONECT 1334 1333 CONECT 1335 1333 CONECT 1336 1328 CONECT 1337 1327 CONECT 1338 1327 CONECT 1339 1326 CONECT 1340 1326 CONECT 1341 1325 CONECT 1342 1325 CONECT 1343 1204 CONECT 1344 1203 CONECT 1345 1200 1346 1347 1348 CONECT 1346 1345 CONECT 1347 1345 CONECT 1348 1345 CONECT 1349 1200 CONECT 1350 1199 CONECT 1351 1196 1352 1354 1358 CONECT 1352 1351 1353 CONECT 1353 1352 CONECT 1354 1351 1355 1356 1357 CONECT 1355 1354 CONECT 1356 1354 CONECT 1357 1354 CONECT 1358 1351 CONECT 1359 1196 CONECT 1360 1195 CONECT 1361 1192 1362 1370 1371 CONECT 1362 1361 1363 1368 1369 CONECT 1363 1362 1364 1365 CONECT 1364 1363 CONECT 1365 1363 1366 1367 CONECT 1366 1365 CONECT 1367 1365 CONECT 1368 1362 CONECT 1369 1362 CONECT 1370 1361 CONECT 1371 1361 CONECT 1372 1192 CONECT 1373 1191 CONECT 1374 1188 1375 1388 1389 CONECT 1375 1374 1376 1386 1387 CONECT 1376 1375 1377 1384 1385 CONECT 1377 1376 1378 1382 1383 CONECT 1378 1377 1379 1380 1381 CONECT 1379 1378 CONECT 1380 1378 CONECT 1381 1378 CONECT 1382 1377 CONECT 1383 1377 CONECT 1384 1376 CONECT 1385 1376 CONECT 1386 1375 CONECT 1387 1375 CONECT 1388 1374 CONECT 1389 1374 CONECT 1390 1188 CONECT 1391 1187 CONECT 1392 1184 1393 1395 1399 CONECT 1393 1392 1394 CONECT 1394 1393 CONECT 1395 1392 1396 1397 1398 CONECT 1396 1395 CONECT 1397 1395 CONECT 1398 1395 CONECT 1399 1392 CONECT 1400 1184 CONECT 1401 1183 CONECT 1402 1180 1403 1418 1419 CONECT 1403 1402 1404 1416 1417 CONECT 1404 1403 1405 1414 1415 CONECT 1405 1404 1406 1413 CONECT 1406 1405 1407 1410 CONECT 1407 1406 1408 1409 CONECT 1408 1407 CONECT 1409 1407 CONECT 1410 1406 1411 1412 CONECT 1411 1410 CONECT 1412 1410 CONECT 1413 1405 CONECT 1414 1404 CONECT 1415 1404 CONECT 1416 1403 CONECT 1417 1403 CONECT 1418 1402 CONECT 1419 1402 CONECT 1420 1180 CONECT 1421 1179 CONECT 1422 1176 1423 1424 1425 CONECT 1423 1422 CONECT 1424 1422 CONECT 1425 1422 CONECT 1426 1176 CONECT 1427 1175 CONECT 1428 1175 CONECT 1429 1175 MASTER 0 0 0 0 0 0 0 0 1428 1 278 9 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6oie
RCSB PDB
PDBbind
116aa, >6OIE_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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2gph
RCSB PDB
PDBbind
16-mer
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RCSB PDB
PDBbind
16-mer
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PDBbind
16-mer
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
16-mer
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RCSB PDB
PDBbind
16-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
16-mer
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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3tww
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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4is6
RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
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4nuf
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PDBbind
16-mer
4odk
RCSB PDB
PDBbind
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PDBbind
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4odm
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
16-mer
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
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4tzm
RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
16-mer
4ud7
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PDBbind
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4ue1
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PDBbind
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PDBbind
16-mer
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
6tyz
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
5u2j
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone acetyltransferase KAT6B
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=1.2uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Structure Vol. 25: pp. 650-654.e2
Ligand Properties
Formula
C
7
2
H
1
3
5
N
2
6
O
2
3
Molecular Weight
1733.000
Exact Mass
1732.020
No. of atoms
256
No. of bonds
256
Polar Surface Area
833.06
LOGP Value
-8.29 (
Computed with XLOGP3
)
-9.34 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 23
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 79
No. of Nitrogen and Oxygen Atoms: 49
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)CCCCNC(=O)CCC)[C@H](O)C)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[NH3+])CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C72H130N26O23/c1-8-18-51(104)81-29-14-11-21-42(59(109)87-38(4)69(119)98-32-17-24-49(98)70(120)121)88-53(106)34-84-52(105)33-85-66(116)54(39(5)100)95-65(115)48(35-99)94-62(112)43(19-9-12-27-73)91-61(111)45(22-15-30-82-71(77)78)90-58(108)37(3)86-67(117)55(40(6)101)96-64(114)47(25-26-50(76)103)92-60(110)44(20-10-13-28-74)93-68(118)56(41(7)102)97-63(113)46(89-57(107)36(2)75)23-16-31-83-72(79)80/h36-49,54-56,99-102H,8-35,73-75H2,1-7H3,(H2,76,103)(H,81,104)(H,84,105)(H,85,116)(H,86,117)(H,87,109)(H,88,106)(H,89,107)(H,90,108)(H,91,111)(H,92,110)(H,93,118)(H,94,112)(H,95,115)(H,96,114)(H,97,113)(H,120,121)(H4,77,78,82)(H4,79,80,83)/p+5/t36-,37-,38-,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,54-,55-,56-/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):
Q8WYB5
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
23522
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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