Browse entries in the PDBbind-CN Database
HEADER 6O7G_COMPLEX COMPND 6O7G_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 B 60 SER LEU VAL THR CYS PRO ILE CYS HIS ALA PRO TYR VAL SEQRES 2 B 60 GLU GLU ASP LEU LEU ILE GLN CYS ARG HIS CYS GLU ARG SEQRES 3 B 60 TRP MET HIS ALA GLY CYS GLU SER LEU PHE THR GLU ASP SEQRES 4 B 60 ASP VAL GLU GLN ALA ALA ASP GLU GLY PHE ASP CYS VAL SEQRES 5 B 60 SER CYS GLN PRO TYR VAL VAL LYS HET ZN A 1 1 HET ZN A 2 1 HET LYS A 63 103 ATOM 1 N SER B1503 41.110 4.088 -6.839 1.00 0.00 N ATOM 2 CA SER B1503 41.525 4.894 -5.688 1.00 0.00 C ATOM 3 C SER B1503 43.048 4.858 -5.454 1.00 0.00 C ATOM 4 O SER B1503 43.736 3.940 -5.909 1.00 0.00 O ATOM 5 CB SER B1503 40.753 4.452 -4.437 1.00 0.00 C ATOM 6 OG SER B1503 41.016 5.331 -3.351 1.00 0.00 O ATOM 7 HG SER B1503 40.510 5.030 -2.555 1.00 0.00 H ATOM 8 HN3 SER B1503 41.386 3.097 -6.684 1.00 0.00 H ATOM 9 HN2 SER B1503 41.573 4.448 -7.698 1.00 0.00 H ATOM 10 HN1 SER B1503 40.078 4.149 -6.949 1.00 0.00 H ATOM 11 N LEU B1504 43.570 5.874 -4.753 1.00 0.00 N ATOM 12 CA LEU B1504 45.003 6.092 -4.498 1.00 0.00 C ATOM 13 C LEU B1504 45.323 6.472 -3.040 1.00 0.00 C ATOM 14 O LEU B1504 46.279 5.947 -2.472 1.00 0.00 O ATOM 15 CB LEU B1504 45.507 7.155 -5.503 1.00 0.00 C ATOM 16 CG LEU B1504 46.951 7.655 -5.276 1.00 0.00 C ATOM 17 CD1 LEU B1504 47.985 6.553 -5.480 1.00 0.00 C ATOM 18 CD2 LEU B1504 47.287 8.783 -6.250 1.00 0.00 C ATOM 19 H LEU B1504 42.905 6.568 -4.355 1.00 0.00 H ATOM 20 N VAL B1505 44.539 7.363 -2.417 1.00 0.00 N ATOM 21 CA VAL B1505 44.839 7.988 -1.102 1.00 0.00 C ATOM 22 C VAL B1505 44.505 7.068 0.097 1.00 0.00 C ATOM 23 O VAL B1505 44.077 7.515 1.161 1.00 0.00 O ATOM 24 CB VAL B1505 44.216 9.408 -0.989 1.00 0.00 C ATOM 25 CG1 VAL B1505 44.939 10.285 0.047 1.00 0.00 C ATOM 26 CG2 VAL B1505 44.281 10.196 -2.310 1.00 0.00 C ATOM 27 H VAL B1505 43.654 7.638 -2.889 1.00 0.00 H ATOM 28 N THR B1506 44.660 5.753 -0.073 1.00 0.00 N ATOM 29 CA THR B1506 44.607 4.693 0.941 1.00 0.00 C ATOM 30 C THR B1506 45.177 3.438 0.290 1.00 0.00 C ATOM 31 O THR B1506 44.797 3.091 -0.830 1.00 0.00 O ATOM 32 CB THR B1506 43.173 4.383 1.440 1.00 0.00 C ATOM 33 OG1 THR B1506 42.747 5.388 2.335 1.00 0.00 O ATOM 34 CG2 THR B1506 43.036 3.050 2.197 1.00 0.00 C ATOM 35 HG1 THR B1506 42.750 6.263 1.872 1.00 0.00 H ATOM 36 H THR B1506 44.841 5.440 -1.048 1.00 0.00 H ATOM 37 N CYS B1507 46.063 2.757 1.013 1.00 0.00 N ATOM 38 CA CYS B1507 46.547 1.429 0.671 1.00 0.00 C ATOM 39 C CYS B1507 45.970 0.400 1.667 1.00 0.00 C ATOM 40 O CYS B1507 46.494 0.267 2.776 1.00 0.00 O ATOM 41 CB CYS B1507 48.075 1.446 0.656 1.00 0.00 C ATOM 42 SG CYS B1507 48.574 -0.215 0.086 1.00 0.00 S ATOM 43 H CYS B1507 46.432 3.203 1.877 1.00 0.00 H ATOM 44 N PRO B1508 44.900 -0.334 1.315 1.00 0.00 N ATOM 45 CA PRO B1508 44.346 -1.404 2.148 1.00 0.00 C ATOM 46 C PRO B1508 45.328 -2.541 2.473 1.00 0.00 C ATOM 47 O PRO B1508 45.086 -3.292 3.421 1.00 0.00 O ATOM 48 CB PRO B1508 43.149 -1.934 1.352 1.00 0.00 C ATOM 49 CG PRO B1508 42.680 -0.694 0.600 1.00 0.00 C ATOM 50 CD PRO B1508 44.016 -0.088 0.186 1.00 0.00 C ATOM 51 N ILE B1509 46.438 -2.665 1.729 1.00 0.00 N ATOM 52 CA ILE B1509 47.480 -3.665 2.034 1.00 0.00 C ATOM 53 C ILE B1509 48.331 -3.227 3.241 1.00 0.00 C ATOM 54 O ILE B1509 48.618 -4.029 4.136 1.00 0.00 O ATOM 55 CB ILE B1509 48.381 -3.989 0.816 1.00 0.00 C ATOM 56 CG1 ILE B1509 47.609 -4.033 -0.523 1.00 0.00 C ATOM 57 CG2 ILE B1509 49.044 -5.349 1.097 1.00 0.00 C ATOM 58 CD1 ILE B1509 48.455 -4.401 -1.749 1.00 0.00 C ATOM 59 H ILE B1509 46.568 -2.036 0.911 1.00 0.00 H ATOM 60 N CYS B1510 48.670 -1.932 3.300 1.00 0.00 N ATOM 61 CA CYS B1510 49.398 -1.304 4.403 1.00 0.00 C ATOM 62 C CYS B1510 48.472 -0.851 5.569 1.00 0.00 C ATOM 63 O CYS B1510 48.966 -0.487 6.637 1.00 0.00 O ATOM 64 CB CYS B1510 50.219 -0.138 3.815 1.00 0.00 C ATOM 65 SG CYS B1510 51.584 -0.717 2.746 1.00 0.00 S ATOM 66 H CYS B1510 48.395 -1.327 2.500 1.00 0.00 H ATOM 67 N HIS B1511 47.144 -0.857 5.360 1.00 0.00 N ATOM 68 CA HIS B1511 46.096 -0.276 6.230 1.00 0.00 C ATOM 69 C HIS B1511 46.152 1.264 6.324 1.00 0.00 C ATOM 70 O HIS B1511 45.956 1.861 7.383 1.00 0.00 O ATOM 71 CB HIS B1511 46.012 -0.975 7.593 1.00 0.00 C ATOM 72 CG HIS B1511 46.011 -2.487 7.520 1.00 0.00 C ATOM 73 ND1 HIS B1511 44.922 -3.279 7.142 1.00 0.00 N ATOM 74 CD2 HIS B1511 47.076 -3.299 7.788 1.00 0.00 C ATOM 75 CE1 HIS B1511 45.361 -4.550 7.186 1.00 0.00 C ATOM 76 NE2 HIS B1511 46.651 -4.589 7.569 1.00 0.00 N ATOM 77 H HIS B1511 46.816 -1.322 4.490 1.00 0.00 H ATOM 78 N ALA B1512 46.404 1.896 5.173 1.00 0.00 N ATOM 79 CA ALA B1512 46.332 3.340 4.912 1.00 0.00 C ATOM 80 C ALA B1512 47.393 4.325 5.505 1.00 0.00 C ATOM 81 O ALA B1512 47.111 5.528 5.487 1.00 0.00 O ATOM 82 CB ALA B1512 44.885 3.807 5.140 1.00 0.00 C ATOM 83 H ALA B1512 46.683 1.297 4.370 1.00 0.00 H ATOM 84 N PRO B1513 48.615 3.941 5.957 1.00 0.00 N ATOM 85 CA PRO B1513 49.688 4.887 6.314 1.00 0.00 C ATOM 86 C PRO B1513 50.375 5.464 5.053 1.00 0.00 C ATOM 87 O PRO B1513 51.570 5.268 4.812 1.00 0.00 O ATOM 88 CB PRO B1513 50.629 4.079 7.216 1.00 0.00 C ATOM 89 CG PRO B1513 50.577 2.696 6.573 1.00 0.00 C ATOM 90 CD PRO B1513 49.110 2.586 6.156 1.00 0.00 C ATOM 91 N TYR B1514 49.591 6.120 4.191 1.00 0.00 N ATOM 92 CA TYR B1514 50.006 6.551 2.852 1.00 0.00 C ATOM 93 C TYR B1514 51.130 7.608 2.870 1.00 0.00 C ATOM 94 O TYR B1514 51.077 8.579 3.629 1.00 0.00 O ATOM 95 CB TYR B1514 48.776 7.057 2.083 1.00 0.00 C ATOM 96 CG TYR B1514 49.080 7.490 0.661 1.00 0.00 C ATOM 97 CD1 TYR B1514 49.422 8.829 0.387 1.00 0.00 C ATOM 98 CD2 TYR B1514 49.052 6.544 -0.386 1.00 0.00 C ATOM 99 CE1 TYR B1514 49.723 9.230 -0.930 1.00 0.00 C ATOM 100 CE2 TYR B1514 49.358 6.940 -1.702 1.00 0.00 C ATOM 101 CZ TYR B1514 49.686 8.286 -1.979 1.00 0.00 C ATOM 102 OH TYR B1514 49.953 8.676 -3.257 1.00 0.00 O ATOM 103 HH TYR B1514 50.162 9.644 -3.269 1.00 0.00 H ATOM 104 H TYR B1514 48.620 6.340 4.491 1.00 0.00 H ATOM 105 N VAL B1515 52.112 7.436 1.971 1.00 0.00 N ATOM 106 CA VAL B1515 53.209 8.379 1.677 1.00 0.00 C ATOM 107 C VAL B1515 53.529 8.385 0.173 1.00 0.00 C ATOM 108 O VAL B1515 53.411 7.361 -0.501 1.00 0.00 O ATOM 109 CB VAL B1515 54.489 8.074 2.491 1.00 0.00 C ATOM 110 CG1 VAL B1515 54.290 8.299 3.993 1.00 0.00 C ATOM 111 CG2 VAL B1515 55.044 6.658 2.280 1.00 0.00 C ATOM 112 H VAL B1515 52.099 6.550 1.427 1.00 0.00 H ATOM 113 N GLU B1516 53.959 9.536 -0.352 1.00 0.00 N ATOM 114 CA GLU B1516 54.332 9.706 -1.773 1.00 0.00 C ATOM 115 C GLU B1516 55.756 9.200 -2.108 1.00 0.00 C ATOM 116 O GLU B1516 56.118 9.076 -3.281 1.00 0.00 O ATOM 117 CB GLU B1516 54.203 11.189 -2.158 1.00 0.00 C ATOM 118 CG GLU B1516 52.752 11.698 -2.082 1.00 0.00 C ATOM 119 CD GLU B1516 52.568 13.150 -2.593 1.00 0.00 C ATOM 120 OE1 GLU B1516 51.406 13.546 -2.861 1.00 0.00 O ATOM 121 OE2 GLU B1516 53.552 13.926 -2.699 1.00 0.00 O ATOM 122 H GLU B1516 54.036 10.361 0.276 1.00 0.00 H ATOM 123 N GLU B1517 56.589 8.920 -1.095 1.00 0.00 N ATOM 124 CA GLU B1517 57.991 8.506 -1.279 1.00 0.00 C ATOM 125 C GLU B1517 58.143 7.117 -1.936 1.00 0.00 C ATOM 126 O GLU B1517 59.027 6.920 -2.775 1.00 0.00 O ATOM 127 CB GLU B1517 58.692 8.547 0.093 1.00 0.00 C ATOM 128 CG GLU B1517 60.185 8.173 0.077 1.00 0.00 C ATOM 129 CD GLU B1517 61.058 9.057 -0.848 1.00 0.00 C ATOM 130 OE1 GLU B1517 60.791 10.275 -0.997 1.00 0.00 O ATOM 131 OE2 GLU B1517 62.064 8.547 -1.404 1.00 0.00 O ATOM 132 H GLU B1517 56.225 9.000 -0.124 1.00 0.00 H ATOM 133 N ASP B1518 57.273 6.161 -1.587 1.00 0.00 N ATOM 134 CA ASP B1518 57.234 4.829 -2.204 1.00 0.00 C ATOM 135 C ASP B1518 56.441 4.838 -3.526 1.00 0.00 C ATOM 136 O ASP B1518 55.286 5.270 -3.569 1.00 0.00 O ATOM 137 CB ASP B1518 56.658 3.788 -1.225 1.00 0.00 C ATOM 138 CG ASP B1518 57.527 3.539 0.029 1.00 0.00 C ATOM 139 OD1 ASP B1518 58.775 3.665 -0.031 1.00 0.00 O ATOM 140 OD2 ASP B1518 56.963 3.145 1.079 1.00 0.00 O ATOM 141 H ASP B1518 56.586 6.374 -0.836 1.00 0.00 H ATOM 142 N LEU B1519 57.055 4.333 -4.605 1.00 0.00 N ATOM 143 CA LEU B1519 56.418 4.229 -5.925 1.00 0.00 C ATOM 144 C LEU B1519 55.298 3.168 -5.961 1.00 0.00 C ATOM 145 O LEU B1519 55.290 2.216 -5.173 1.00 0.00 O ATOM 146 CB LEU B1519 57.492 4.030 -7.010 1.00 0.00 C ATOM 147 CG LEU B1519 58.141 2.632 -7.044 1.00 0.00 C ATOM 148 CD1 LEU B1519 57.627 1.825 -8.236 1.00 0.00 C ATOM 149 CD2 LEU B1519 59.656 2.749 -7.188 1.00 0.00 C ATOM 150 H LEU B1519 58.034 3.997 -4.503 1.00 0.00 H ATOM 151 N LEU B1520 54.357 3.324 -6.897 1.00 0.00 N ATOM 152 CA LEU B1520 53.104 2.569 -6.961 1.00 0.00 C ATOM 153 C LEU B1520 52.843 1.880 -8.309 1.00 0.00 C ATOM 154 O LEU B1520 53.405 2.227 -9.348 1.00 0.00 O ATOM 155 CB LEU B1520 51.921 3.484 -6.581 1.00 0.00 C ATOM 156 CG LEU B1520 52.048 4.179 -5.208 1.00 0.00 C ATOM 157 CD1 LEU B1520 52.432 5.650 -5.372 1.00 0.00 C ATOM 158 CD2 LEU B1520 50.707 4.138 -4.474 1.00 0.00 C ATOM 159 H LEU B1520 54.528 4.036 -7.636 1.00 0.00 H ATOM 160 N ILE B1521 51.921 0.920 -8.262 1.00 0.00 N ATOM 161 CA ILE B1521 51.415 0.100 -9.365 1.00 0.00 C ATOM 162 C ILE B1521 49.890 -0.078 -9.206 1.00 0.00 C ATOM 163 O ILE B1521 49.378 0.037 -8.090 1.00 0.00 O ATOM 164 CB ILE B1521 52.202 -1.232 -9.385 1.00 0.00 C ATOM 165 CG1 ILE B1521 51.993 -1.994 -10.710 1.00 0.00 C ATOM 166 CG2 ILE B1521 51.882 -2.116 -8.162 1.00 0.00 C ATOM 167 CD1 ILE B1521 52.947 -3.180 -10.873 1.00 0.00 C ATOM 168 H ILE B1521 51.509 0.729 -7.326 1.00 0.00 H ATOM 169 N GLN B1522 49.152 -0.343 -10.289 1.00 0.00 N ATOM 170 CA GLN B1522 47.692 -0.537 -10.251 1.00 0.00 C ATOM 171 C GLN B1522 47.215 -1.787 -10.997 1.00 0.00 C ATOM 172 O GLN B1522 47.840 -2.237 -11.958 1.00 0.00 O ATOM 173 CB GLN B1522 46.937 0.704 -10.771 1.00 0.00 C ATOM 174 CG GLN B1522 47.315 1.075 -12.215 1.00 0.00 C ATOM 175 CD GLN B1522 46.419 2.091 -12.928 1.00 0.00 C ATOM 176 OE1 GLN B1522 46.659 2.416 -14.084 1.00 0.00 O ATOM 177 NE2 GLN B1522 45.368 2.621 -12.336 1.00 0.00 N ATOM 178 HE22 GLN B1522 45.139 2.364 -11.355 1.00 0.00 H ATOM 179 HE21 GLN B1522 44.767 3.296 -12.850 1.00 0.00 H ATOM 180 H GLN B1522 49.634 -0.416 -11.207 1.00 0.00 H ATOM 181 N CYS B1523 46.056 -2.305 -10.581 1.00 0.00 N ATOM 182 CA CYS B1523 45.344 -3.355 -11.294 1.00 0.00 C ATOM 183 C CYS B1523 44.826 -2.879 -12.672 1.00 0.00 C ATOM 184 O CYS B1523 44.248 -1.794 -12.785 1.00 0.00 O ATOM 185 CB CYS B1523 44.227 -3.838 -10.370 1.00 0.00 C ATOM 186 SG CYS B1523 43.338 -5.222 -11.133 1.00 0.00 S ATOM 187 H CYS B1523 45.640 -1.938 -9.701 1.00 0.00 H ATOM 188 N ARG B1524 44.989 -3.703 -13.715 1.00 0.00 N ATOM 189 CA ARG B1524 44.437 -3.454 -15.060 1.00 0.00 C ATOM 190 C ARG B1524 42.898 -3.455 -15.101 1.00 0.00 C ATOM 191 O ARG B1524 42.314 -2.830 -15.986 1.00 0.00 O ATOM 192 CB ARG B1524 45.013 -4.488 -16.047 1.00 0.00 C ATOM 193 CG ARG B1524 44.501 -5.918 -15.789 1.00 0.00 C ATOM 194 CD ARG B1524 45.262 -6.962 -16.610 1.00 0.00 C ATOM 195 NE ARG B1524 45.235 -8.250 -15.906 1.00 0.00 N ATOM 196 CZ ARG B1524 45.205 -9.471 -16.380 1.00 0.00 C ATOM 197 NH1 ARG B1524 45.187 -9.778 -17.649 1.00 0.00 N ATOM 198 NH2 ARG B1524 45.191 -10.431 -15.524 1.00 0.00 N ATOM 199 HE ARG B1524 45.241 -8.183 -14.868 1.00 0.00 H ATOM 200 HH12 ARG B1524 45.163 -10.775 -17.942 1.00 0.00 H ATOM 201 HH11 ARG B1524 45.196 -9.025 -18.366 1.00 0.00 H ATOM 202 HH22 ARG B1524 45.167 -11.418 -15.850 1.00 0.00 H ATOM 203 HH21 ARG B1524 45.203 -10.220 -14.506 1.00 0.00 H ATOM 204 H ARG B1524 45.539 -4.573 -13.567 1.00 0.00 H ATOM 205 N HIS B1525 42.251 -4.161 -14.166 1.00 0.00 N ATOM 206 CA HIS B1525 40.792 -4.332 -14.102 1.00 0.00 C ATOM 207 C HIS B1525 40.130 -3.301 -13.176 1.00 0.00 C ATOM 208 O HIS B1525 39.166 -2.642 -13.573 1.00 0.00 O ATOM 209 CB HIS B1525 40.473 -5.768 -13.663 1.00 0.00 C ATOM 210 CG HIS B1525 39.000 -6.091 -13.722 1.00 0.00 C ATOM 211 ND1 HIS B1525 38.235 -6.182 -14.890 1.00 0.00 N ATOM 212 CD2 HIS B1525 38.197 -6.356 -12.650 1.00 0.00 C ATOM 213 CE1 HIS B1525 36.989 -6.490 -14.490 1.00 0.00 C ATOM 214 NE2 HIS B1525 36.938 -6.600 -13.152 1.00 0.00 N ATOM 215 H HIS B1525 42.823 -4.623 -13.430 1.00 0.00 H ATOM 216 N CYS B1526 40.686 -3.119 -11.976 1.00 0.00 N ATOM 217 CA CYS B1526 40.116 -2.294 -10.917 1.00 0.00 C ATOM 218 C CYS B1526 40.651 -0.832 -10.909 1.00 0.00 C ATOM 219 O CYS B1526 40.026 0.049 -10.313 1.00 0.00 O ATOM 220 CB CYS B1526 40.377 -3.023 -9.584 1.00 0.00 C ATOM 221 SG CYS B1526 39.736 -4.726 -9.577 1.00 0.00 S ATOM 222 H CYS B1526 41.588 -3.599 -11.783 1.00 0.00 H ATOM 223 N GLU B1527 41.838 -0.594 -11.487 1.00 0.00 N ATOM 224 CA GLU B1527 42.615 0.661 -11.448 1.00 0.00 C ATOM 225 C GLU B1527 43.088 1.120 -10.056 1.00 0.00 C ATOM 226 O GLU B1527 43.823 2.104 -9.963 1.00 0.00 O ATOM 227 CB GLU B1527 41.923 1.795 -12.234 1.00 0.00 C ATOM 228 CG GLU B1527 41.855 1.501 -13.737 1.00 0.00 C ATOM 229 CD GLU B1527 41.264 2.687 -14.528 1.00 0.00 C ATOM 230 OE1 GLU B1527 41.831 3.806 -14.485 1.00 0.00 O ATOM 231 OE2 GLU B1527 40.235 2.509 -15.227 1.00 0.00 O ATOM 232 H GLU B1527 42.258 -1.381 -12.022 1.00 0.00 H ATOM 233 N ARG B1528 42.745 0.396 -8.980 1.00 0.00 N ATOM 234 CA ARG B1528 43.197 0.690 -7.612 1.00 0.00 C ATOM 235 C ARG B1528 44.724 0.631 -7.530 1.00 0.00 C ATOM 236 O ARG B1528 45.334 -0.318 -8.026 1.00 0.00 O ATOM 237 CB ARG B1528 42.576 -0.289 -6.593 1.00 0.00 C ATOM 238 CG ARG B1528 41.041 -0.402 -6.620 1.00 0.00 C ATOM 239 CD ARG B1528 40.321 0.946 -6.527 1.00 0.00 C ATOM 240 NE ARG B1528 38.857 0.768 -6.436 1.00 0.00 N ATOM 241 CZ ARG B1528 37.930 1.688 -6.637 1.00 0.00 C ATOM 242 NH1 ARG B1528 38.224 2.926 -6.934 1.00 0.00 N ATOM 243 NH2 ARG B1528 36.668 1.379 -6.542 1.00 0.00 N ATOM 244 HE ARG B1528 38.520 -0.184 -6.187 1.00 0.00 H ATOM 245 HH12 ARG B1528 37.464 3.619 -7.084 1.00 0.00 H ATOM 246 HH11 ARG B1528 39.218 3.218 -7.020 1.00 0.00 H ATOM 247 HH22 ARG B1528 35.941 2.106 -6.701 1.00 0.00 H ATOM 248 HH21 ARG B1528 36.387 0.406 -6.307 1.00 0.00 H ATOM 249 H ARG B1528 42.121 -0.424 -9.122 1.00 0.00 H ATOM 250 N TRP B1529 45.321 1.635 -6.894 1.00 0.00 N ATOM 251 CA TRP B1529 46.765 1.752 -6.687 1.00 0.00 C ATOM 252 C TRP B1529 47.231 1.110 -5.375 1.00 0.00 C ATOM 253 O TRP B1529 46.526 1.131 -4.364 1.00 0.00 O ATOM 254 CB TRP B1529 47.158 3.232 -6.734 1.00 0.00 C ATOM 255 CG TRP B1529 46.997 3.863 -8.079 1.00 0.00 C ATOM 256 CD1 TRP B1529 45.892 4.493 -8.543 1.00 0.00 C ATOM 257 CD2 TRP B1529 47.931 3.831 -9.195 1.00 0.00 C ATOM 258 NE1 TRP B1529 46.076 4.842 -9.866 1.00 0.00 N ATOM 259 CE2 TRP B1529 47.325 4.467 -10.313 1.00 0.00 C ATOM 260 CE3 TRP B1529 49.215 3.275 -9.382 1.00 0.00 C ATOM 261 CZ2 TRP B1529 47.973 4.585 -11.548 1.00 0.00 C ATOM 262 CZ3 TRP B1529 49.865 3.367 -10.625 1.00 0.00 C ATOM 263 CH2 TRP B1529 49.258 4.037 -11.701 1.00 0.00 C ATOM 264 HE1 TRP B1529 45.364 5.325 -10.450 1.00 0.00 H ATOM 265 H TRP B1529 44.717 2.393 -6.516 1.00 0.00 H ATOM 266 N MET B1530 48.455 0.586 -5.390 1.00 0.00 N ATOM 267 CA MET B1530 49.184 0.054 -4.236 1.00 0.00 C ATOM 268 C MET B1530 50.692 0.268 -4.431 1.00 0.00 C ATOM 269 O MET B1530 51.156 0.424 -5.561 1.00 0.00 O ATOM 270 CB MET B1530 48.841 -1.433 -4.036 1.00 0.00 C ATOM 271 CG MET B1530 49.320 -2.339 -5.179 1.00 0.00 C ATOM 272 SD MET B1530 48.142 -3.623 -5.677 1.00 0.00 S ATOM 273 CE MET B1530 46.980 -2.589 -6.603 1.00 0.00 C ATOM 274 H MET B1530 48.940 0.551 -6.309 1.00 0.00 H ATOM 275 N HIS B1531 51.468 0.305 -3.351 1.00 0.00 N ATOM 276 CA HIS B1531 52.926 0.464 -3.435 1.00 0.00 C ATOM 277 C HIS B1531 53.599 -0.771 -4.062 1.00 0.00 C ATOM 278 O HIS B1531 53.055 -1.876 -4.055 1.00 0.00 O ATOM 279 CB HIS B1531 53.526 0.764 -2.054 1.00 0.00 C ATOM 280 CG HIS B1531 52.754 1.797 -1.275 1.00 0.00 C ATOM 281 ND1 HIS B1531 51.779 1.505 -0.320 1.00 0.00 N ATOM 282 CD2 HIS B1531 52.866 3.151 -1.414 1.00 0.00 C ATOM 283 CE1 HIS B1531 51.340 2.698 0.115 1.00 0.00 C ATOM 284 NE2 HIS B1531 51.972 3.704 -0.529 1.00 0.00 N ATOM 285 H HIS B1531 51.026 0.218 -2.413 1.00 0.00 H ATOM 286 N ALA B1532 54.822 -0.600 -4.570 1.00 0.00 N ATOM 287 CA ALA B1532 55.636 -1.722 -5.047 1.00 0.00 C ATOM 288 C ALA B1532 55.970 -2.728 -3.919 1.00 0.00 C ATOM 289 O ALA B1532 55.883 -3.942 -4.112 1.00 0.00 O ATOM 290 CB ALA B1532 56.898 -1.130 -5.686 1.00 0.00 C ATOM 291 H ALA B1532 55.211 0.363 -4.629 1.00 0.00 H ATOM 292 N GLY B1533 56.298 -2.219 -2.720 1.00 0.00 N ATOM 293 CA GLY B1533 56.766 -3.024 -1.583 1.00 0.00 C ATOM 294 C GLY B1533 55.710 -3.955 -0.975 1.00 0.00 C ATOM 295 O GLY B1533 56.028 -5.100 -0.651 1.00 0.00 O ATOM 296 H GLY B1533 56.216 -1.191 -2.588 1.00 0.00 H ATOM 297 N CYS B1534 54.445 -3.526 -0.897 1.00 0.00 N ATOM 298 CA CYS B1534 53.325 -4.363 -0.445 1.00 0.00 C ATOM 299 C CYS B1534 52.887 -5.440 -1.475 1.00 0.00 C ATOM 300 O CYS B1534 52.035 -6.281 -1.176 1.00 0.00 O ATOM 301 CB CYS B1534 52.193 -3.469 0.097 1.00 0.00 C ATOM 302 SG CYS B1534 51.733 -2.102 -1.005 1.00 0.00 S ATOM 303 H CYS B1534 54.243 -2.544 -1.172 1.00 0.00 H ATOM 304 N GLU B1535 53.520 -5.458 -2.652 1.00 0.00 N ATOM 305 CA GLU B1535 53.423 -6.505 -3.678 1.00 0.00 C ATOM 306 C GLU B1535 54.791 -7.175 -3.961 1.00 0.00 C ATOM 307 O GLU B1535 54.949 -7.905 -4.943 1.00 0.00 O ATOM 308 CB GLU B1535 52.736 -5.931 -4.928 1.00 0.00 C ATOM 309 CG GLU B1535 51.214 -5.828 -4.726 1.00 0.00 C ATOM 310 CD GLU B1535 50.513 -7.209 -4.592 1.00 0.00 C ATOM 311 OE1 GLU B1535 49.433 -7.289 -3.957 1.00 0.00 O ATOM 312 OE2 GLU B1535 51.015 -8.233 -5.120 1.00 0.00 O ATOM 313 H GLU B1535 54.142 -4.652 -2.862 1.00 0.00 H ATOM 314 N SER B1536 55.775 -6.954 -3.077 1.00 0.00 N ATOM 315 CA SER B1536 57.140 -7.510 -3.125 1.00 0.00 C ATOM 316 C SER B1536 57.937 -7.178 -4.406 1.00 0.00 C ATOM 317 O SER B1536 58.930 -7.844 -4.713 1.00 0.00 O ATOM 318 CB SER B1536 57.142 -9.017 -2.812 1.00 0.00 C ATOM 319 OG SER B1536 56.504 -9.285 -1.567 1.00 0.00 O ATOM 320 HG SER B1536 56.520 -10.259 -1.392 1.00 0.00 H ATOM 321 H SER B1536 55.553 -6.327 -2.277 1.00 0.00 H ATOM 322 N LEU B1537 57.530 -6.142 -5.150 1.00 0.00 N ATOM 323 CA LEU B1537 58.241 -5.638 -6.328 1.00 0.00 C ATOM 324 C LEU B1537 59.437 -4.774 -5.886 1.00 0.00 C ATOM 325 O LEU B1537 59.284 -3.851 -5.080 1.00 0.00 O ATOM 326 CB LEU B1537 57.271 -4.882 -7.255 1.00 0.00 C ATOM 327 CG LEU B1537 56.046 -5.702 -7.707 1.00 0.00 C ATOM 328 CD1 LEU B1537 55.129 -4.824 -8.554 1.00 0.00 C ATOM 329 CD2 LEU B1537 56.417 -6.920 -8.551 1.00 0.00 C ATOM 330 H LEU B1537 56.650 -5.662 -4.873 1.00 0.00 H ATOM 331 N PHE B1538 60.632 -5.072 -6.398 1.00 0.00 N ATOM 332 CA PHE B1538 61.890 -4.493 -5.906 1.00 0.00 C ATOM 333 C PHE B1538 62.196 -3.065 -6.394 1.00 0.00 C ATOM 334 O PHE B1538 62.797 -2.291 -5.648 1.00 0.00 O ATOM 335 CB PHE B1538 63.051 -5.434 -6.265 1.00 0.00 C ATOM 336 CG PHE B1538 62.986 -6.791 -5.595 1.00 0.00 C ATOM 337 CD1 PHE B1538 63.390 -6.913 -4.252 1.00 0.00 C ATOM 338 CD2 PHE B1538 62.568 -7.932 -6.306 1.00 0.00 C ATOM 339 CE1 PHE B1538 63.382 -8.168 -3.625 1.00 0.00 C ATOM 340 CE2 PHE B1538 62.554 -9.187 -5.674 1.00 0.00 C ATOM 341 CZ PHE B1538 62.958 -9.308 -4.332 1.00 0.00 C ATOM 342 H PHE B1538 60.676 -5.749 -7.186 1.00 0.00 H ATOM 343 N THR B1539 61.814 -2.709 -7.627 1.00 0.00 N ATOM 344 CA THR B1539 62.232 -1.456 -8.293 1.00 0.00 C ATOM 345 C THR B1539 61.139 -0.867 -9.192 1.00 0.00 C ATOM 346 O THR B1539 60.139 -1.517 -9.498 1.00 0.00 O ATOM 347 CB THR B1539 63.511 -1.665 -9.137 1.00 0.00 C ATOM 348 OG1 THR B1539 63.202 -2.439 -10.276 1.00 0.00 O ATOM 349 CG2 THR B1539 64.663 -2.359 -8.415 1.00 0.00 C ATOM 350 HG1 THR B1539 64.021 -2.572 -10.815 1.00 0.00 H ATOM 351 H THR B1539 61.185 -3.353 -8.148 1.00 0.00 H ATOM 352 N GLU B1540 61.346 0.365 -9.669 1.00 0.00 N ATOM 353 CA GLU B1540 60.500 0.988 -10.698 1.00 0.00 C ATOM 354 C GLU B1540 60.507 0.189 -12.015 1.00 0.00 C ATOM 355 O GLU B1540 59.467 0.046 -12.655 1.00 0.00 O ATOM 356 CB GLU B1540 60.989 2.429 -10.919 1.00 0.00 C ATOM 357 CG GLU B1540 60.051 3.255 -11.813 1.00 0.00 C ATOM 358 CD GLU B1540 60.532 4.713 -12.004 1.00 0.00 C ATOM 359 OE1 GLU B1540 61.099 5.315 -11.058 1.00 0.00 O ATOM 360 OE2 GLU B1540 60.322 5.281 -13.105 1.00 0.00 O ATOM 361 H GLU B1540 62.147 0.911 -9.293 1.00 0.00 H ATOM 362 N ASP B1541 61.653 -0.396 -12.385 1.00 0.00 N ATOM 363 CA ASP B1541 61.767 -1.267 -13.566 1.00 0.00 C ATOM 364 C ASP B1541 61.032 -2.604 -13.374 1.00 0.00 C ATOM 365 O ASP B1541 60.398 -3.102 -14.304 1.00 0.00 O ATOM 366 CB ASP B1541 63.245 -1.532 -13.905 1.00 0.00 C ATOM 367 CG ASP B1541 64.093 -0.287 -14.240 1.00 0.00 C ATOM 368 OD1 ASP B1541 65.340 -0.376 -14.138 1.00 0.00 O ATOM 369 OD2 ASP B1541 63.551 0.773 -14.643 1.00 0.00 O ATOM 370 H ASP B1541 62.503 -0.227 -11.811 1.00 0.00 H ATOM 371 N ASP B1542 61.063 -3.173 -12.163 1.00 0.00 N ATOM 372 CA ASP B1542 60.318 -4.387 -11.818 1.00 0.00 C ATOM 373 C ASP B1542 58.800 -4.128 -11.829 1.00 0.00 C ATOM 374 O ASP B1542 58.027 -4.958 -12.311 1.00 0.00 O ATOM 375 CB ASP B1542 60.785 -4.881 -10.441 1.00 0.00 C ATOM 376 CG ASP B1542 60.342 -6.317 -10.095 1.00 0.00 C ATOM 377 OD1 ASP B1542 60.333 -6.636 -8.884 1.00 0.00 O ATOM 378 OD2 ASP B1542 60.066 -7.132 -11.009 1.00 0.00 O ATOM 379 H ASP B1542 61.648 -2.729 -11.426 1.00 0.00 H ATOM 380 N VAL B1543 58.376 -2.945 -11.369 1.00 0.00 N ATOM 381 CA VAL B1543 57.003 -2.439 -11.495 1.00 0.00 C ATOM 382 C VAL B1543 56.598 -2.220 -12.954 1.00 0.00 C ATOM 383 O VAL B1543 55.500 -2.623 -13.332 1.00 0.00 O ATOM 384 CB VAL B1543 56.828 -1.157 -10.655 1.00 0.00 C ATOM 385 CG1 VAL B1543 55.721 -0.208 -11.127 1.00 0.00 C ATOM 386 CG2 VAL B1543 56.515 -1.541 -9.208 1.00 0.00 C ATOM 387 H VAL B1543 59.070 -2.339 -10.887 1.00 0.00 H ATOM 388 N GLU B1544 57.452 -1.633 -13.795 1.00 0.00 N ATOM 389 CA GLU B1544 57.172 -1.489 -15.230 1.00 0.00 C ATOM 390 C GLU B1544 57.027 -2.860 -15.916 1.00 0.00 C ATOM 391 O GLU B1544 56.078 -3.074 -16.673 1.00 0.00 O ATOM 392 CB GLU B1544 58.262 -0.631 -15.893 1.00 0.00 C ATOM 393 CG GLU B1544 57.981 -0.396 -17.383 1.00 0.00 C ATOM 394 CD GLU B1544 58.948 0.636 -18.007 1.00 0.00 C ATOM 395 OE1 GLU B1544 58.476 1.655 -18.570 1.00 0.00 O ATOM 396 OE2 GLU B1544 60.188 0.429 -17.966 1.00 0.00 O ATOM 397 H GLU B1544 58.349 -1.264 -13.421 1.00 0.00 H ATOM 398 N GLN B1545 57.899 -3.820 -15.589 1.00 0.00 N ATOM 399 CA GLN B1545 57.773 -5.218 -16.007 1.00 0.00 C ATOM 400 C GLN B1545 56.450 -5.843 -15.528 1.00 0.00 C ATOM 401 O GLN B1545 55.750 -6.480 -16.313 1.00 0.00 O ATOM 402 CB GLN B1545 59.021 -5.969 -15.512 1.00 0.00 C ATOM 403 CG GLN B1545 59.015 -7.491 -15.751 1.00 0.00 C ATOM 404 CD GLN B1545 58.306 -8.354 -14.699 1.00 0.00 C ATOM 405 OE1 GLN B1545 57.961 -9.500 -14.954 1.00 0.00 O ATOM 406 NE2 GLN B1545 58.060 -7.890 -13.490 1.00 0.00 N ATOM 407 HE22 GLN B1545 58.339 -6.920 -13.238 1.00 0.00 H ATOM 408 HE21 GLN B1545 57.587 -8.494 -12.788 1.00 0.00 H ATOM 409 H GLN B1545 58.716 -3.558 -15.002 1.00 0.00 H ATOM 410 N ALA B1546 56.064 -5.628 -14.268 1.00 0.00 N ATOM 411 CA ALA B1546 54.824 -6.167 -13.704 1.00 0.00 C ATOM 412 C ALA B1546 53.565 -5.543 -14.344 1.00 0.00 C ATOM 413 O ALA B1546 52.583 -6.239 -14.592 1.00 0.00 O ATOM 414 CB ALA B1546 54.874 -5.965 -12.187 1.00 0.00 C ATOM 415 H ALA B1546 56.674 -5.049 -13.656 1.00 0.00 H ATOM 416 N ALA B1547 53.609 -4.250 -14.678 1.00 0.00 N ATOM 417 CA ALA B1547 52.567 -3.552 -15.425 1.00 0.00 C ATOM 418 C ALA B1547 52.454 -4.059 -16.877 1.00 0.00 C ATOM 419 O ALA B1547 51.347 -4.333 -17.342 1.00 0.00 O ATOM 420 CB ALA B1547 52.877 -2.055 -15.389 1.00 0.00 C ATOM 421 H ALA B1547 54.444 -3.703 -14.385 1.00 0.00 H ATOM 422 N ASP B1548 53.582 -4.234 -17.578 1.00 0.00 N ATOM 423 CA ASP B1548 53.624 -4.763 -18.951 1.00 0.00 C ATOM 424 C ASP B1548 53.139 -6.228 -19.033 1.00 0.00 C ATOM 425 O ASP B1548 52.564 -6.646 -20.039 1.00 0.00 O ATOM 426 CB ASP B1548 55.061 -4.647 -19.484 1.00 0.00 C ATOM 427 CG ASP B1548 55.185 -5.015 -20.976 1.00 0.00 C ATOM 428 OD1 ASP B1548 54.387 -4.517 -21.808 1.00 0.00 O ATOM 429 OD2 ASP B1548 56.119 -5.775 -21.334 1.00 0.00 O ATOM 430 H ASP B1548 54.483 -3.981 -17.125 1.00 0.00 H ATOM 431 N GLU B1549 53.305 -6.988 -17.946 1.00 0.00 N ATOM 432 CA GLU B1549 52.749 -8.344 -17.774 1.00 0.00 C ATOM 433 C GLU B1549 51.218 -8.362 -17.560 1.00 0.00 C ATOM 434 O GLU B1549 50.605 -9.433 -17.579 1.00 0.00 O ATOM 435 CB GLU B1549 53.459 -9.041 -16.598 1.00 0.00 C ATOM 436 CG GLU B1549 54.864 -9.541 -16.957 1.00 0.00 C ATOM 437 CD GLU B1549 54.812 -10.936 -17.611 1.00 0.00 C ATOM 438 OE1 GLU B1549 54.852 -11.036 -18.861 1.00 0.00 O ATOM 439 OE2 GLU B1549 54.712 -11.958 -16.887 1.00 0.00 O ATOM 440 H GLU B1549 53.867 -6.595 -17.164 1.00 0.00 H ATOM 441 N GLY B1550 50.590 -7.193 -17.379 1.00 0.00 N ATOM 442 CA GLY B1550 49.165 -7.030 -17.076 1.00 0.00 C ATOM 443 C GLY B1550 48.879 -7.254 -15.587 1.00 0.00 C ATOM 444 O GLY B1550 48.447 -8.336 -15.186 1.00 0.00 O ATOM 445 H GLY B1550 51.161 -6.328 -17.460 1.00 0.00 H ATOM 446 N PHE B1551 49.157 -6.234 -14.766 1.00 0.00 N ATOM 447 CA PHE B1551 49.111 -6.353 -13.305 1.00 0.00 C ATOM 448 C PHE B1551 47.684 -6.482 -12.731 1.00 0.00 C ATOM 449 O PHE B1551 46.714 -6.016 -13.331 1.00 0.00 O ATOM 450 CB PHE B1551 49.862 -5.184 -12.653 1.00 0.00 C ATOM 451 CG PHE B1551 50.253 -5.467 -11.219 1.00 0.00 C ATOM 452 CD1 PHE B1551 51.269 -6.406 -10.966 1.00 0.00 C ATOM 453 CD2 PHE B1551 49.594 -4.838 -10.144 1.00 0.00 C ATOM 454 CE1 PHE B1551 51.642 -6.710 -9.645 1.00 0.00 C ATOM 455 CE2 PHE B1551 49.966 -5.141 -8.823 1.00 0.00 C ATOM 456 CZ PHE B1551 50.988 -6.075 -8.575 1.00 0.00 C ATOM 457 H PHE B1551 49.417 -5.317 -15.182 1.00 0.00 H ATOM 458 N ASP B1552 47.576 -7.085 -11.545 1.00 0.00 N ATOM 459 CA ASP B1552 46.331 -7.449 -10.857 1.00 0.00 C ATOM 460 C ASP B1552 46.397 -7.112 -9.356 1.00 0.00 C ATOM 461 O ASP B1552 47.420 -7.375 -8.713 1.00 0.00 O ATOM 462 CB ASP B1552 46.107 -8.961 -11.010 1.00 0.00 C ATOM 463 CG ASP B1552 45.828 -9.418 -12.454 1.00 0.00 C ATOM 464 OD1 ASP B1552 44.944 -8.846 -13.134 1.00 0.00 O ATOM 465 OD2 ASP B1552 46.455 -10.405 -12.909 1.00 0.00 O ATOM 466 H ASP B1552 48.464 -7.321 -11.059 1.00 0.00 H ATOM 467 N CYS B1553 45.310 -6.597 -8.771 1.00 0.00 N ATOM 468 CA CYS B1553 45.210 -6.405 -7.330 1.00 0.00 C ATOM 469 C CYS B1553 45.038 -7.732 -6.550 1.00 0.00 C ATOM 470 O CYS B1553 45.062 -8.842 -7.097 1.00 0.00 O ATOM 471 CB CYS B1553 44.110 -5.385 -6.985 1.00 0.00 C ATOM 472 SG CYS B1553 42.446 -6.106 -7.099 1.00 0.00 S ATOM 473 H CYS B1553 44.504 -6.323 -9.368 1.00 0.00 H ATOM 474 N VAL B1554 44.872 -7.600 -5.232 1.00 0.00 N ATOM 475 CA VAL B1554 44.869 -8.716 -4.284 1.00 0.00 C ATOM 476 C VAL B1554 43.716 -9.701 -4.531 1.00 0.00 C ATOM 477 O VAL B1554 43.934 -10.911 -4.533 1.00 0.00 O ATOM 478 CB VAL B1554 44.867 -8.229 -2.824 1.00 0.00 C ATOM 479 CG1 VAL B1554 45.611 -9.278 -2.001 1.00 0.00 C ATOM 480 CG2 VAL B1554 45.564 -6.879 -2.587 1.00 0.00 C ATOM 481 H VAL B1554 44.736 -6.641 -4.853 1.00 0.00 H ATOM 482 N SER B1555 42.504 -9.208 -4.812 1.00 0.00 N ATOM 483 CA SER B1555 41.337 -10.046 -5.158 1.00 0.00 C ATOM 484 C SER B1555 41.427 -10.650 -6.569 1.00 0.00 C ATOM 485 O SER B1555 40.857 -11.710 -6.840 1.00 0.00 O ATOM 486 CB SER B1555 40.046 -9.223 -5.067 1.00 0.00 C ATOM 487 OG SER B1555 39.901 -8.627 -3.782 1.00 0.00 O ATOM 488 HG SER B1555 39.061 -8.104 -3.755 1.00 0.00 H ATOM 489 H SER B1555 42.376 -8.176 -4.785 1.00 0.00 H ATOM 490 N CYS B1556 42.200 -10.034 -7.459 1.00 0.00 N ATOM 491 CA CYS B1556 42.371 -10.487 -8.829 1.00 0.00 C ATOM 492 C CYS B1556 43.391 -11.650 -8.933 1.00 0.00 C ATOM 493 O CYS B1556 43.479 -12.286 -9.984 1.00 0.00 O ATOM 494 CB CYS B1556 42.670 -9.254 -9.692 1.00 0.00 C ATOM 495 SG CYS B1556 41.146 -8.309 -10.006 1.00 0.00 S ATOM 496 H CYS B1556 42.711 -9.180 -7.157 1.00 0.00 H ATOM 497 N GLN B1557 44.100 -11.984 -7.843 1.00 0.00 N ATOM 498 CA GLN B1557 44.933 -13.187 -7.760 1.00 0.00 C ATOM 499 C GLN B1557 44.093 -14.483 -7.868 1.00 0.00 C ATOM 500 O GLN B1557 44.347 -15.258 -8.793 1.00 0.00 O ATOM 501 CB GLN B1557 45.842 -13.174 -6.517 1.00 0.00 C ATOM 502 CG GLN B1557 46.673 -11.902 -6.328 1.00 0.00 C ATOM 503 CD GLN B1557 47.496 -11.499 -7.545 1.00 0.00 C ATOM 504 OE1 GLN B1557 48.266 -12.264 -8.107 1.00 0.00 O ATOM 505 NE2 GLN B1557 47.365 -10.267 -7.975 1.00 0.00 N ATOM 506 HE22 GLN B1557 46.710 -9.616 -7.497 1.00 0.00 H ATOM 507 HE21 GLN B1557 47.916 -9.941 -8.794 1.00 0.00 H ATOM 508 H GLN B1557 44.056 -11.357 -7.015 1.00 0.00 H ATOM 509 N PRO B1558 43.065 -14.734 -7.023 1.00 0.00 N ATOM 510 CA PRO B1558 42.150 -15.853 -7.245 1.00 0.00 C ATOM 511 C PRO B1558 41.246 -15.658 -8.475 1.00 0.00 C ATOM 512 O PRO B1558 40.984 -16.630 -9.189 1.00 0.00 O ATOM 513 CB PRO B1558 41.337 -16.008 -5.958 1.00 0.00 C ATOM 514 CG PRO B1558 41.403 -14.634 -5.312 1.00 0.00 C ATOM 515 CD PRO B1558 42.768 -14.104 -5.744 1.00 0.00 C ATOM 516 N TYR B1559 40.756 -14.433 -8.740 1.00 0.00 N ATOM 517 CA TYR B1559 39.723 -14.230 -9.770 1.00 0.00 C ATOM 518 C TYR B1559 40.231 -14.245 -11.229 1.00 0.00 C ATOM 519 O TYR B1559 39.566 -14.845 -12.077 1.00 0.00 O ATOM 520 CB TYR B1559 38.945 -12.928 -9.505 1.00 0.00 C ATOM 521 CG TYR B1559 38.204 -12.782 -8.179 1.00 0.00 C ATOM 522 CD1 TYR B1559 37.789 -11.494 -7.787 1.00 0.00 C ATOM 523 CD2 TYR B1559 37.891 -13.890 -7.359 1.00 0.00 C ATOM 524 CE1 TYR B1559 37.082 -11.306 -6.584 1.00 0.00 C ATOM 525 CE2 TYR B1559 37.191 -13.706 -6.152 1.00 0.00 C ATOM 526 CZ TYR B1559 36.787 -12.411 -5.758 1.00 0.00 C ATOM 527 OH TYR B1559 36.106 -12.222 -4.592 1.00 0.00 O ATOM 528 HH TYR B1559 35.907 -11.259 -4.480 1.00 0.00 H ATOM 529 H TYR B1559 41.113 -13.614 -8.208 1.00 0.00 H ATOM 530 N VAL B1560 41.371 -13.603 -11.546 1.00 0.00 N ATOM 531 CA VAL B1560 41.787 -13.376 -12.955 1.00 0.00 C ATOM 532 C VAL B1560 43.310 -13.271 -13.210 1.00 0.00 C ATOM 533 O VAL B1560 43.747 -12.534 -14.094 1.00 0.00 O ATOM 534 CB VAL B1560 40.975 -12.169 -13.496 1.00 0.00 C ATOM 535 CG1 VAL B1560 41.413 -10.818 -12.914 1.00 0.00 C ATOM 536 CG2 VAL B1560 40.891 -12.082 -15.026 1.00 0.00 C ATOM 537 H VAL B1560 41.981 -13.254 -10.779 1.00 0.00 H ATOM 538 N VAL B1561 44.156 -13.998 -12.466 1.00 0.00 N ATOM 539 CA VAL B1561 45.622 -13.792 -12.513 1.00 0.00 C ATOM 540 C VAL B1561 46.220 -13.984 -13.917 1.00 0.00 C ATOM 541 O VAL B1561 46.047 -15.030 -14.548 1.00 0.00 O ATOM 542 CB VAL B1561 46.374 -14.610 -11.445 1.00 0.00 C ATOM 543 CG1 VAL B1561 46.211 -16.130 -11.569 1.00 0.00 C ATOM 544 CG2 VAL B1561 47.869 -14.274 -11.427 1.00 0.00 C ATOM 545 H VAL B1561 43.770 -14.730 -11.836 1.00 0.00 H ATOM 546 N LYS B1562 46.925 -12.952 -14.410 1.00 0.00 N ATOM 547 CA LYS B1562 47.576 -12.883 -15.734 1.00 0.00 C ATOM 548 C LYS B1562 46.673 -13.383 -16.877 1.00 0.00 C ATOM 549 O LYS B1562 45.712 -12.681 -17.220 1.00 0.00 O ATOM 550 CB LYS B1562 48.945 -13.589 -15.684 1.00 0.00 C ATOM 551 CG LYS B1562 49.732 -13.407 -16.995 1.00 0.00 C ATOM 552 CD LYS B1562 51.179 -13.899 -16.869 1.00 0.00 C ATOM 553 CE LYS B1562 51.876 -13.791 -18.232 1.00 0.00 C ATOM 554 NZ LYS B1562 53.326 -14.114 -18.140 1.00 0.00 N ATOM 555 HZ1 LYS B1562 53.787 -13.451 -17.484 1.00 0.00 H ATOM 556 HZ2 LYS B1562 53.442 -15.087 -17.790 1.00 0.00 H ATOM 557 HZ3 LYS B1562 53.759 -14.029 -19.082 1.00 0.00 H ATOM 558 H LYS B1562 47.022 -12.117 -13.797 1.00 0.00 H TER 559 LYS B1562 HETATM 560 ZN ZN A 1 50.887 -0.416 0.458 1.00 0.00 ZN HETATM 561 ZN ZN A 2 41.730 -6.063 -9.449 1.00 0.00 ZN HETATM 562 CA LYS A 3 46.549 5.818 -14.992 1.00 0.03 C HETATM 563 C LYS A 3 47.946 5.397 -15.388 1.00 0.17 C HETATM 564 O LYS A 3 48.919 5.838 -14.781 1.00 -0.40 O HETATM 565 N LYS A 3 48.043 4.560 -16.423 1.00 -0.27 N HETATM 566 CA LYS A 3 49.316 4.157 -17.039 1.00 0.12 C HETATM 567 C LYS A 3 50.062 3.012 -16.335 1.00 0.20 C HETATM 568 O LYS A 3 51.243 2.793 -16.612 1.00 -0.39 O HETATM 569 N LYS A 3 49.410 2.275 -15.427 1.00 -0.27 N HETATM 570 CA LYS A 3 49.935 1.049 -14.796 1.00 0.12 C HETATM 571 C LYS A 3 50.922 1.269 -13.641 1.00 0.20 C HETATM 572 O LYS A 3 50.831 0.572 -12.631 1.00 -0.39 O HETATM 573 N LYS A 3 51.824 2.248 -13.763 1.00 -0.26 N HETATM 574 CA LYS A 3 52.881 2.578 -12.803 1.00 0.13 C HETATM 575 C LYS A 3 52.942 4.092 -12.506 1.00 0.20 C HETATM 576 O LYS A 3 52.668 4.916 -13.382 1.00 -0.39 O HETATM 577 N LYS A 3 53.295 4.462 -11.268 1.00 -0.26 N HETATM 578 CA LYS A 3 53.206 5.841 -10.752 1.00 0.13 C HETATM 579 CB LYS A 3 51.797 6.017 -10.163 1.00 -0.01 C HETATM 580 CG LYS A 3 51.492 7.370 -9.502 1.00 -0.05 C HETATM 581 CD LYS A 3 49.999 7.484 -9.138 1.00 -0.03 C HETATM 582 CE LYS A 3 49.124 7.758 -10.372 1.00 0.03 C HETATM 583 NZ LYS A 3 47.707 7.739 -10.020 1.00 -0.29 N HETATM 584 CH LYS A 3 46.917 8.807 -9.954 1.00 0.17 C HETATM 585 OH LYS A 3 47.300 9.961 -10.129 1.00 -0.40 O HETATM 586 CH3 LYS A 3 45.464 8.532 -9.648 1.00 0.03 C HETATM 587 H15 LYS A 3 45.314 7.449 -9.524 1.00 0.05 H HETATM 588 H16 LYS A 3 44.839 8.896 -10.477 1.00 0.05 H HETATM 589 H17 LYS A 3 45.180 9.050 -8.720 1.00 0.05 H HETATM 590 H18 LYS A 3 47.297 6.851 -9.812 1.00 0.18 H HETATM 591 H19 LYS A 3 49.380 8.746 -10.783 1.00 0.05 H HETATM 592 H20 LYS A 3 49.317 6.984 -11.130 1.00 0.05 H HETATM 593 H21 LYS A 3 49.674 6.541 -8.674 1.00 0.03 H HETATM 594 H22 LYS A 3 49.870 8.309 -8.421 1.00 0.03 H HETATM 595 H23 LYS A 3 52.094 7.466 -8.586 1.00 0.03 H HETATM 596 H24 LYS A 3 51.755 8.178 -10.200 1.00 0.03 H HETATM 597 H25 LYS A 3 51.074 5.874 -10.979 1.00 0.03 H HETATM 598 H26 LYS A 3 51.653 5.234 -9.404 1.00 0.03 H HETATM 599 C LYS A 3 54.304 6.169 -9.726 1.00 0.20 C HETATM 600 O LYS A 3 54.550 5.391 -8.805 1.00 -0.39 O HETATM 601 N LYS A 3 54.939 7.341 -9.860 1.00 -0.26 N HETATM 602 CA LYS A 3 55.935 7.871 -8.907 1.00 0.13 C HETATM 603 C LYS A 3 55.905 9.405 -8.884 1.00 0.20 C HETATM 604 O LYS A 3 55.975 10.049 -9.933 1.00 -0.39 O HETATM 605 N LYS A 3 55.783 9.983 -7.689 1.00 -0.26 N HETATM 606 CA LYS A 3 55.694 11.433 -7.456 1.00 0.14 C HETATM 607 C LYS A 3 57.054 12.143 -7.583 1.00 0.20 C HETATM 608 O LYS A 3 58.111 11.525 -7.411 1.00 -0.39 O HETATM 609 N LYS A 3 57.026 13.452 -7.861 1.00 -0.29 N HETATM 610 CA LYS A 3 58.215 14.295 -7.996 1.00 0.02 C HETATM 611 H50 LYS A 3 57.909 15.326 -8.225 1.00 0.05 H HETATM 612 H51 LYS A 3 58.847 13.910 -8.810 1.00 0.05 H HETATM 613 H52 LYS A 3 58.783 14.282 -7.054 1.00 0.05 H HETATM 614 H49 LYS A 3 56.132 13.883 -7.985 1.00 0.18 H HETATM 615 CB LYS A 3 55.058 11.685 -6.079 1.00 0.01 C HETATM 616 CG LYS A 3 53.686 11.064 -5.923 1.00 -0.00 C HETATM 617 ND1 LYS A 3 53.415 9.707 -5.715 1.00 -0.33 N HETATM 618 CE1 LYS A 3 52.076 9.597 -5.682 1.00 0.09 C HETATM 619 NE2 LYS A 3 51.503 10.798 -5.862 1.00 -0.28 N HETATM 620 CD2 LYS A 3 52.501 11.735 -6.019 1.00 0.03 C HETATM 621 H46 LYS A 3 52.370 12.803 -6.187 1.00 0.07 H HETATM 622 H48 LYS A 3 50.491 10.987 -5.880 1.00 0.24 H HETATM 623 H47 LYS A 3 51.532 8.665 -5.531 1.00 0.12 H HETATM 624 H44 LYS A 3 54.967 12.771 -5.931 1.00 0.04 H HETATM 625 H45 LYS A 3 55.720 11.264 -5.308 1.00 0.04 H HETATM 626 H43 LYS A 3 55.029 11.857 -8.223 1.00 0.08 H HETATM 627 H42 LYS A 3 55.749 9.384 -6.889 1.00 0.19 H HETATM 628 CB LYS A 3 57.325 7.322 -9.287 1.00 -0.01 C HETATM 629 CG LYS A 3 58.390 7.607 -8.217 1.00 -0.02 C HETATM 630 CD LYS A 3 59.718 6.957 -8.613 1.00 0.06 C HETATM 631 NE LYS A 3 60.744 7.123 -7.568 1.00 -0.27 N HETATM 632 CZ LYS A 3 61.990 6.688 -7.624 1.00 0.29 C HETATM 633 NH1 LYS A 3 62.452 6.042 -8.656 1.00 -0.28 N HETATM 634 H38 LYS A 3 63.429 5.717 -8.665 1.00 0.26 H HETATM 635 H39 LYS A 3 61.840 5.856 -9.463 1.00 0.26 H HETATM 636 NH2 LYS A 3 62.803 6.895 -6.630 1.00 -0.28 N HETATM 637 H40 LYS A 3 62.477 7.402 -5.795 1.00 0.26 H HETATM 638 H41 LYS A 3 63.773 6.552 -6.678 1.00 0.26 H HETATM 639 H37 LYS A 3 60.463 7.625 -6.714 1.00 0.26 H HETATM 640 H35 LYS A 3 60.078 7.422 -9.542 1.00 0.07 H HETATM 641 H36 LYS A 3 59.552 5.883 -8.781 1.00 0.07 H HETATM 642 H33 LYS A 3 58.057 7.196 -7.253 1.00 0.03 H HETATM 643 H34 LYS A 3 58.530 8.694 -8.123 1.00 0.03 H HETATM 644 H31 LYS A 3 57.642 7.789 -10.231 1.00 0.03 H HETATM 645 H32 LYS A 3 57.248 6.233 -9.425 1.00 0.03 H HETATM 646 H30 LYS A 3 55.684 7.511 -7.898 1.00 0.08 H HETATM 647 H29 LYS A 3 54.723 7.897 -10.663 1.00 0.19 H HETATM 648 H27 LYS A 3 53.323 6.537 -11.596 1.00 0.08 H HETATM 649 H28 LYS A 3 53.642 3.755 -10.652 1.00 0.19 H HETATM 650 CB LYS A 3 54.212 2.067 -13.366 1.00 -0.02 C HETATM 651 H12 LYS A 3 55.023 2.303 -12.662 1.00 0.03 H HETATM 652 H13 LYS A 3 54.412 2.553 -14.332 1.00 0.03 H HETATM 653 H14 LYS A 3 54.156 0.978 -13.508 1.00 0.03 H HETATM 654 H11 LYS A 3 52.673 2.055 -11.858 1.00 0.08 H HETATM 655 H10 LYS A 3 51.773 2.809 -14.589 1.00 0.19 H HETATM 656 H8 LYS A 3 50.447 0.462 -15.572 1.00 0.08 H HETATM 657 H9 LYS A 3 49.081 0.476 -14.407 1.00 0.08 H HETATM 658 H7 LYS A 3 48.497 2.579 -15.156 1.00 0.19 H HETATM 659 H5 LYS A 3 49.979 5.035 -17.052 1.00 0.08 H HETATM 660 H6 LYS A 3 49.107 3.840 -18.071 1.00 0.08 H HETATM 661 H4 LYS A 3 47.198 4.184 -16.803 1.00 0.19 H HETATM 662 H1 LYS A 3 45.817 5.322 -15.646 1.00 0.05 H HETATM 663 H2 LYS A 3 46.452 6.909 -15.094 1.00 0.05 H HETATM 664 H3 LYS A 3 46.361 5.530 -13.947 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 42 41 560 CONECT 65 64 560 CONECT 186 185 561 CONECT 221 220 561 CONECT 281 280 283 560 CONECT 302 301 560 CONECT 472 471 561 CONECT 495 494 561 CONECT 560 42 65 281 302 CONECT 561 186 221 472 495 CONECT 562 563 662 663 664 CONECT 563 562 564 565 CONECT 564 563 CONECT 565 563 566 661 CONECT 566 565 567 659 660 CONECT 567 566 568 569 CONECT 568 567 CONECT 569 567 570 658 CONECT 570 569 571 656 657 CONECT 571 570 572 573 CONECT 572 571 CONECT 573 571 574 655 CONECT 574 573 575 650 654 CONECT 575 574 576 577 CONECT 576 575 CONECT 577 575 578 649 CONECT 578 577 579 599 648 CONECT 579 578 580 597 598 CONECT 580 579 581 595 596 CONECT 581 580 582 593 594 CONECT 582 581 583 591 592 CONECT 583 582 584 590 CONECT 584 583 585 586 CONECT 585 584 CONECT 586 584 587 588 589 CONECT 587 586 CONECT 588 586 CONECT 589 586 CONECT 590 583 CONECT 591 582 CONECT 592 582 CONECT 593 581 CONECT 594 581 CONECT 595 580 CONECT 596 580 CONECT 597 579 CONECT 598 579 CONECT 599 578 600 601 CONECT 600 599 CONECT 601 599 602 647 CONECT 602 601 603 628 646 CONECT 603 602 604 605 CONECT 604 603 CONECT 605 603 606 627 CONECT 606 605 607 615 626 CONECT 607 606 608 609 CONECT 608 607 CONECT 609 607 610 614 CONECT 610 609 611 612 613 CONECT 611 610 CONECT 612 610 CONECT 613 610 CONECT 614 609 CONECT 615 606 616 624 625 CONECT 616 615 617 620 CONECT 617 616 618 CONECT 618 617 619 623 CONECT 619 618 620 622 CONECT 620 616 619 621 CONECT 621 620 CONECT 622 619 CONECT 623 618 CONECT 624 615 CONECT 625 615 CONECT 626 606 CONECT 627 605 CONECT 628 602 629 644 645 CONECT 629 628 630 642 643 CONECT 630 629 631 640 641 CONECT 631 630 632 639 CONECT 632 631 633 636 CONECT 633 632 634 635 CONECT 634 633 CONECT 635 633 CONECT 636 632 637 638 CONECT 637 636 CONECT 638 636 CONECT 639 631 CONECT 640 630 CONECT 641 630 CONECT 642 629 CONECT 643 629 CONECT 644 628 CONECT 645 628 CONECT 646 602 CONECT 647 601 CONECT 648 578 CONECT 649 577 CONECT 650 574 651 652 653 CONECT 651 650 CONECT 652 650 CONECT 653 650 CONECT 654 574 CONECT 655 573 CONECT 656 570 CONECT 657 570 CONECT 658 569 CONECT 659 566 CONECT 660 566 CONECT 661 565 CONECT 662 562 CONECT 663 562 CONECT 664 562 MASTER 0 0 0 0 0 0 0 0 663 1 117 5 END
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13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
6o7g
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
MLL4 PHD6 domain
Ligand Name
13-mer
EC.Number
E.C.2.1.1.43; 2.1.1.354
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=1.1uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat Commun Vol. 10: pp. 2314-2314
Ligand Properties
Formula
C
3
0
H
5
2
N
1
3
O
8
Molecular Weight
722.816
Exact Mass
722.406
No. of atoms
103
No. of bonds
103
Polar Surface Area
327.49
LOGP Value
-2.09 (
Computed with XLOGP3
)
-2.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 1
Canonical SMILES
CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)C)C)CCCCNC(=O)C)CCC[NH+]=C(N)N)Cc1nc[nH]c1
InChI String
InChI=1S/C30H51N13O8/c1-17(40-25(47)15-38-24(46)14-37-19(3)45)26(48)41-21(8-5-6-10-35-18(2)44)28(50)42-22(9-7-11-36-30(31)32)29(51)43-23(27(49)33-4)12-20-13-34-16-39-20/h13,16-17,21-23H,5-12,14-15H2,1-4H3,(H,33,49)(H,34,39)(H,35,44)(H,37,45)(H,38,46)(H,40,47)(H,41,48)(H,42,50)(H,43,51)(H4,31,32,36)/p+1/t17-,21-,22-,23-/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):
O14686
Entrez Gene ID
NCBI Entrez Gene ID:
8085
ASD
Information of known allosteric effects of PDB entries
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