Browse entries in the PDBbind-CN Database
HEADER 6UYX_COMPLEX COMPND 6UYX_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 C 18 GLY GLU TYR ILE LYS LEU LYS VAL ILE GLY GLN ASP SER SEQRES 2 C 18 SER GLU ILE HIS PHE SEQRES 1 C 60 VAL LYS MET THR THR HIS LEU LYS LYS LEU LYS GLU SER SEQRES 2 C 60 TYR ALA GLN ARG GLN GLY VAL PRO MET ASN SER LEU ARG SEQRES 3 C 60 PHE LEU PHE GLU GLY GLN ARG ILE ALA ASP ASN HIS THR SEQRES 4 C 60 PRO LYS GLU LEU GLY MET GLU GLU GLU ASP VAL ILE GLU SEQRES 5 C 60 VAL TYR GLN GLU GLN THR GLY GLY HET ALA A 144 154 ATOM 1 N GLY C 19 1.744 9.691 12.404 1.00 75.29 N ATOM 2 CA GLY C 19 1.176 11.028 12.498 1.00 72.20 C ATOM 3 C GLY C 19 1.677 11.957 11.398 1.00 87.55 C ATOM 4 O GLY C 19 0.890 12.589 10.692 1.00 76.64 O ATOM 5 HN3 GLY C 19 2.779 9.749 12.482 1.00 0.00 H ATOM 6 HN2 GLY C 19 1.487 9.270 11.488 1.00 0.00 H ATOM 7 HN1 GLY C 19 1.370 9.102 13.175 1.00 0.00 H ATOM 8 N GLU C 20 2.997 12.089 11.273 1.00 93.57 N ATOM 9 CA GLU C 20 3.575 12.622 10.055 1.00 74.65 C ATOM 10 C GLU C 20 4.422 11.602 9.318 1.00 59.99 C ATOM 11 O GLU C 20 4.842 11.881 8.196 1.00 51.74 O ATOM 12 CB GLU C 20 4.421 13.881 10.330 1.00152.58 C ATOM 13 CG GLU C 20 3.617 15.193 10.352 1.00113.96 C ATOM 14 CD GLU C 20 4.424 16.449 10.720 1.00 87.11 C ATOM 15 OE1 GLU C 20 5.605 16.324 11.084 1.00 94.40 O ATOM 16 OE2 GLU C 20 3.872 17.572 10.624 1.00118.11 O ATOM 17 H GLU C 20 3.619 11.807 12.057 1.00 0.00 H ATOM 18 N TYR C 21 4.603 10.410 9.863 1.00 64.71 N ATOM 19 CA TYR C 21 5.435 9.425 9.207 1.00 49.17 C ATOM 20 C TYR C 21 4.647 8.609 8.196 1.00 38.03 C ATOM 21 O TYR C 21 3.420 8.502 8.261 1.00 38.65 O ATOM 22 CB TYR C 21 6.067 8.470 10.193 1.00 47.17 C ATOM 23 CG TYR C 21 7.137 9.074 11.056 1.00 40.39 C ATOM 24 CD1 TYR C 21 6.812 9.883 12.128 1.00 40.10 C ATOM 25 CD2 TYR C 21 8.485 8.851 10.784 1.00 37.09 C ATOM 26 CE1 TYR C 21 7.792 10.429 12.932 1.00 36.89 C ATOM 27 CE2 TYR C 21 9.477 9.409 11.581 1.00 39.51 C ATOM 28 CZ TYR C 21 9.122 10.199 12.662 1.00 46.16 C ATOM 29 OH TYR C 21 10.092 10.770 13.481 1.00 60.63 O ATOM 30 HH TYR C 21 9.652 11.296 14.195 1.00 0.00 H ATOM 31 H TYR C 21 4.145 10.180 10.768 1.00 0.00 H ATOM 32 N ILE C 22 5.384 8.055 7.235 1.00 31.48 N ATOM 33 CA ILE C 22 4.866 7.088 6.284 1.00 31.97 C ATOM 34 C ILE C 22 5.871 5.956 6.105 1.00 27.80 C ATOM 35 O ILE C 22 7.074 6.127 6.273 1.00 20.36 O ATOM 36 CB ILE C 22 4.561 7.737 4.922 1.00 56.50 C ATOM 37 CG1 ILE C 22 5.837 8.071 4.161 1.00 41.34 C ATOM 38 CG2 ILE C 22 3.780 9.018 5.128 1.00 64.24 C ATOM 39 CD1 ILE C 22 5.611 8.292 2.679 1.00 30.50 C ATOM 40 H ILE C 22 6.384 8.330 7.162 1.00 0.00 H ATOM 41 N LYS C 23 5.353 4.804 5.705 1.00 33.53 N ATOM 42 CA LYS C 23 6.108 3.553 5.598 1.00 38.13 C ATOM 43 C LYS C 23 6.338 3.232 4.137 1.00 21.26 C ATOM 44 O LYS C 23 5.408 3.274 3.340 1.00 20.27 O ATOM 45 CB LYS C 23 5.357 2.405 6.291 1.00 33.01 C ATOM 46 CG LYS C 23 5.980 1.029 6.200 1.00 28.12 C ATOM 47 CD LYS C 23 4.924 -0.037 6.408 1.00 29.39 C ATOM 48 CE LYS C 23 4.774 -0.418 7.855 1.00 38.54 C ATOM 49 NZ LYS C 23 5.648 -1.545 8.211 1.00 37.08 N ATOM 50 HZ1 LYS C 23 5.403 -2.370 7.627 1.00 0.00 H ATOM 51 HZ2 LYS C 23 6.639 -1.280 8.042 1.00 0.00 H ATOM 52 HZ3 LYS C 23 5.517 -1.780 9.216 1.00 0.00 H ATOM 53 H LYS C 23 4.345 4.787 5.450 1.00 0.00 H ATOM 54 N LEU C 24 7.585 2.983 3.774 1.00 25.45 N ATOM 55 CA LEU C 24 7.958 2.726 2.389 1.00 22.53 C ATOM 56 C LEU C 24 8.557 1.324 2.297 1.00 16.99 C ATOM 57 O LEU C 24 9.286 0.894 3.175 1.00 17.34 O ATOM 58 CB LEU C 24 8.972 3.733 1.857 1.00 23.83 C ATOM 59 CG LEU C 24 8.652 5.225 1.833 1.00 19.75 C ATOM 60 CD1 LEU C 24 9.900 5.989 1.412 1.00 28.22 C ATOM 61 CD2 LEU C 24 7.550 5.528 0.950 1.00 17.64 C ATOM 62 H LEU C 24 8.326 2.970 4.503 1.00 0.00 H ATOM 63 N LYS C 25 8.209 0.591 1.273 1.00 31.16 N ATOM 64 CA LYS C 25 8.776 -0.724 1.048 1.00 21.03 C ATOM 65 C LYS C 25 9.884 -0.584 0.009 1.00 16.39 C ATOM 66 O LYS C 25 9.648 -0.130 -1.108 1.00 20.74 O ATOM 67 CB LYS C 25 7.711 -1.719 0.601 1.00 18.16 C ATOM 68 CG LYS C 25 6.482 -1.689 1.500 1.00 42.13 C ATOM 69 CD LYS C 25 5.371 -2.612 1.017 1.00 67.61 C ATOM 70 CE LYS C 25 4.299 -2.757 2.084 1.00121.71 C ATOM 71 NZ LYS C 25 3.024 -3.244 1.501 1.00102.46 N ATOM 72 HZ1 LYS C 25 2.691 -2.567 0.785 1.00 0.00 H ATOM 73 HZ2 LYS C 25 3.179 -4.172 1.057 1.00 0.00 H ATOM 74 HZ3 LYS C 25 2.312 -3.333 2.254 1.00 0.00 H ATOM 75 H LYS C 25 7.506 0.961 0.601 1.00 0.00 H ATOM 76 N VAL C 26 11.080 -0.968 0.390 1.00 17.32 N ATOM 77 CA VAL C 26 12.235 -0.964 -0.487 1.00 15.94 C ATOM 78 C VAL C 26 12.441 -2.402 -0.943 1.00 16.13 C ATOM 79 O VAL C 26 12.743 -3.264 -0.110 1.00 22.60 O ATOM 80 CB VAL C 26 13.474 -0.407 0.238 1.00 15.77 C ATOM 81 CG1 VAL C 26 14.656 -0.412 -0.708 1.00 15.63 C ATOM 82 CG2 VAL C 26 13.244 0.986 0.776 1.00 15.75 C ATOM 83 H VAL C 26 11.206 -1.291 1.370 1.00 0.00 H ATOM 84 N ILE C 27 12.264 -2.662 -2.247 1.00 16.23 N ATOM 85 CA ILE C 27 12.395 -3.999 -2.839 1.00 25.33 C ATOM 86 C ILE C 27 13.841 -4.212 -3.285 1.00 16.57 C ATOM 87 O ILE C 27 14.370 -3.472 -4.119 1.00 16.42 O ATOM 88 CB ILE C 27 11.452 -4.182 -4.032 1.00 41.66 C ATOM 89 CG1 ILE C 27 10.013 -3.760 -3.768 1.00 46.27 C ATOM 90 CG2 ILE C 27 11.412 -5.634 -4.458 1.00 48.41 C ATOM 91 CD1 ILE C 27 9.359 -4.456 -2.650 1.00 46.49 C ATOM 92 H ILE C 27 12.020 -1.870 -2.875 1.00 0.00 H ATOM 93 N GLY C 28 14.491 -5.253 -2.753 1.00 22.90 N ATOM 94 CA GLY C 28 15.875 -5.529 -3.004 1.00 17.48 C ATOM 95 C GLY C 28 16.116 -6.527 -4.125 1.00 17.54 C ATOM 96 O GLY C 28 15.237 -6.866 -4.902 1.00 28.57 O ATOM 97 H GLY C 28 13.966 -5.895 -2.125 1.00 0.00 H ATOM 98 N GLN C 29 17.357 -6.973 -4.208 1.00 33.75 N ATOM 99 CA GLN C 29 17.768 -7.766 -5.361 1.00 46.40 C ATOM 100 C GLN C 29 17.344 -9.232 -5.285 1.00 42.14 C ATOM 101 O GLN C 29 17.152 -9.863 -6.341 1.00 47.84 O ATOM 102 CB GLN C 29 19.288 -7.590 -5.570 1.00 59.06 C ATOM 103 CG GLN C 29 19.655 -6.103 -5.852 1.00 56.37 C ATOM 104 CD GLN C 29 20.987 -5.911 -6.581 1.00 41.54 C ATOM 105 OE1 GLN C 29 21.709 -4.937 -6.361 1.00 33.55 O ATOM 106 NE2 GLN C 29 21.277 -6.816 -7.490 1.00 36.85 N ATOM 107 HE22 GLN C 29 20.639 -7.623 -7.643 1.00 0.00 H ATOM 108 HE21 GLN C 29 22.145 -6.725 -8.056 1.00 0.00 H ATOM 109 H GLN C 29 18.039 -6.759 -3.453 1.00 0.00 H ATOM 110 N ASP C 30 17.158 -9.787 -4.089 1.00 33.19 N ATOM 111 CA ASP C 30 16.721 -11.165 -3.915 1.00 32.81 C ATOM 112 C ASP C 30 15.240 -11.261 -3.602 1.00 23.44 C ATOM 113 O ASP C 30 14.807 -12.173 -2.897 1.00 25.95 O ATOM 114 CB ASP C 30 17.546 -11.826 -2.812 1.00 43.58 C ATOM 115 CG ASP C 30 18.010 -10.827 -1.775 1.00 73.05 C ATOM 116 OD1 ASP C 30 17.553 -9.666 -1.860 1.00 61.90 O ATOM 117 OD2 ASP C 30 18.824 -11.177 -0.903 1.00 64.03 O ATOM 118 H ASP C 30 17.333 -9.210 -3.241 1.00 0.00 H ATOM 119 N SER C 31 14.463 -10.306 -4.086 1.00 30.02 N ATOM 120 CA SER C 31 13.065 -10.122 -3.725 1.00 29.02 C ATOM 121 C SER C 31 12.900 -9.833 -2.248 1.00 18.84 C ATOM 122 O SER C 31 11.851 -10.078 -1.686 1.00 25.89 O ATOM 123 CB SER C 31 12.241 -11.337 -4.144 1.00 31.50 C ATOM 124 OG SER C 31 11.957 -11.323 -5.544 1.00 29.21 O ATOM 125 HG SER C 31 11.423 -12.123 -5.779 1.00 0.00 H ATOM 126 H SER C 31 14.879 -9.642 -4.770 1.00 0.00 H ATOM 127 N SER C 32 13.938 -9.305 -1.617 1.00 19.81 N ATOM 128 CA SER C 32 13.917 -8.893 -0.223 1.00 26.29 C ATOM 129 C SER C 32 13.240 -7.545 -0.014 1.00 17.56 C ATOM 130 O SER C 32 13.003 -6.799 -0.937 1.00 20.65 O ATOM 131 CB SER C 32 15.358 -8.846 0.309 1.00 28.15 C ATOM 132 OG SER C 32 16.063 -7.733 -0.201 1.00 27.91 O ATOM 133 HG SER C 32 15.602 -6.900 0.069 1.00 0.00 H ATOM 134 H SER C 32 14.821 -9.177 -2.151 1.00 0.00 H ATOM 135 N GLU C 33 12.867 -7.288 1.224 1.00 17.47 N ATOM 136 CA GLU C 33 12.221 -6.055 1.588 1.00 20.41 C ATOM 137 C GLU C 33 12.776 -5.548 2.909 1.00 17.01 C ATOM 138 O GLU C 33 12.926 -6.293 3.873 1.00 24.97 O ATOM 139 CB GLU C 33 10.699 -6.182 1.720 1.00 34.58 C ATOM 140 CG GLU C 33 10.025 -6.391 0.405 1.00 63.53 C ATOM 141 CD GLU C 33 8.535 -6.466 0.537 1.00131.31 C ATOM 142 OE1 GLU C 33 7.995 -7.581 0.588 1.00 90.77 O ATOM 143 OE2 GLU C 33 7.901 -5.398 0.589 1.00 99.09 O ATOM 144 H GLU C 33 13.045 -7.999 1.961 1.00 0.00 H ATOM 145 N ILE C 34 13.081 -4.271 2.925 1.00 16.67 N ATOM 146 CA ILE C 34 13.323 -3.519 4.129 1.00 16.66 C ATOM 147 C ILE C 34 12.350 -2.367 4.086 1.00 16.61 C ATOM 148 O ILE C 34 12.307 -1.636 3.097 1.00 18.87 O ATOM 149 CB ILE C 34 14.755 -2.994 4.203 1.00 19.98 C ATOM 150 CG1 ILE C 34 15.748 -4.122 4.073 1.00 22.11 C ATOM 151 CG2 ILE C 34 15.007 -2.318 5.496 1.00 22.72 C ATOM 152 CD1 ILE C 34 17.123 -3.679 4.232 1.00 20.68 C ATOM 153 H ILE C 34 13.152 -3.773 2.015 1.00 0.00 H ATOM 154 N HIS C 35 11.605 -2.187 5.145 1.00 16.92 N ATOM 155 CA HIS C 35 10.649 -1.106 5.239 1.00 22.64 C ATOM 156 C HIS C 35 11.225 0.015 6.082 1.00 19.15 C ATOM 157 O HIS C 35 11.913 -0.226 7.079 1.00 17.51 O ATOM 158 CB HIS C 35 9.341 -1.628 5.810 1.00 24.24 C ATOM 159 CG HIS C 35 8.762 -2.730 4.990 1.00 29.12 C ATOM 160 ND1 HIS C 35 7.678 -3.467 5.383 1.00 36.86 N ATOM 161 CD2 HIS C 35 9.145 -3.238 3.797 1.00 35.17 C ATOM 162 CE1 HIS C 35 7.411 -4.375 4.468 1.00 34.93 C ATOM 163 NE2 HIS C 35 8.278 -4.247 3.485 1.00 39.00 N ATOM 164 H HIS C 35 11.703 -2.843 5.946 1.00 0.00 H ATOM 165 N PHE C 36 10.928 1.243 5.659 1.00 21.28 N ATOM 166 CA PHE C 36 11.291 2.455 6.356 1.00 19.22 C ATOM 167 C PHE C 36 10.107 3.350 6.674 1.00 17.89 C ATOM 168 O PHE C 36 9.316 3.663 5.810 1.00 18.49 O ATOM 169 CB PHE C 36 12.262 3.280 5.511 1.00 17.00 C ATOM 170 CG PHE C 36 13.568 2.601 5.194 1.00 23.00 C ATOM 171 CD1 PHE C 36 13.732 1.876 4.038 1.00 20.00 C ATOM 172 CD2 PHE C 36 14.658 2.768 6.010 1.00 21.27 C ATOM 173 CE1 PHE C 36 14.928 1.295 3.736 1.00 16.09 C ATOM 174 CE2 PHE C 36 15.844 2.165 5.704 1.00 20.02 C ATOM 175 CZ PHE C 36 15.967 1.420 4.570 1.00 16.25 C ATOM 176 H PHE C 36 10.400 1.335 4.768 1.00 0.00 H TER 177 PHE C 36 ATOM 178 N VAL C 38 9.265 7.015 7.438 1.00 26.42 N ATOM 179 CA VAL C 38 9.872 8.321 7.204 1.00 27.64 C ATOM 180 C VAL C 38 8.825 9.442 7.096 1.00 21.96 C ATOM 181 O VAL C 38 7.686 9.192 6.757 1.00 20.40 O ATOM 182 CB VAL C 38 10.726 8.286 5.918 1.00 40.19 C ATOM 183 CG1 VAL C 38 11.975 7.451 6.118 1.00 43.79 C ATOM 184 CG2 VAL C 38 9.897 7.724 4.785 1.00 32.82 C ATOM 185 HN3 VAL C 38 8.627 6.785 6.650 1.00 0.00 H ATOM 186 HN2 VAL C 38 8.726 7.039 8.327 1.00 0.00 H ATOM 187 HN1 VAL C 38 10.011 6.294 7.503 1.00 0.00 H ATOM 188 N LYS C 39 9.232 10.675 7.374 1.00 23.21 N ATOM 189 CA LYS C 39 8.355 11.820 7.190 1.00 29.12 C ATOM 190 C LYS C 39 8.338 12.301 5.755 1.00 21.13 C ATOM 191 O LYS C 39 9.374 12.379 5.102 1.00 20.50 O ATOM 192 CB LYS C 39 8.788 12.943 8.118 1.00 34.48 C ATOM 193 CG LYS C 39 8.519 12.583 9.568 1.00 59.24 C ATOM 194 CD LYS C 39 8.920 13.659 10.550 1.00121.73 C ATOM 195 CE LYS C 39 7.828 14.696 10.702 1.00139.06 C ATOM 196 NZ LYS C 39 8.219 15.759 11.661 1.00109.85 N ATOM 197 HZ1 LYS C 39 8.403 15.334 12.592 1.00 0.00 H ATOM 198 HZ2 LYS C 39 9.079 16.233 11.319 1.00 0.00 H ATOM 199 HZ3 LYS C 39 7.448 16.453 11.741 1.00 0.00 H ATOM 200 H LYS C 39 10.197 10.825 7.731 1.00 0.00 H ATOM 201 N MET C 40 7.138 12.668 5.306 1.00 21.61 N ATOM 202 CA MET C 40 6.908 13.189 3.968 1.00 29.41 C ATOM 203 C MET C 40 7.850 14.316 3.593 1.00 31.74 C ATOM 204 O MET C 40 8.077 14.558 2.416 1.00 24.16 O ATOM 205 CB MET C 40 5.475 13.696 3.850 1.00 22.32 C ATOM 206 CG MET C 40 4.429 12.637 3.709 1.00 26.86 C ATOM 207 SD MET C 40 4.538 11.802 2.143 1.00 37.63 S ATOM 208 CE MET C 40 3.717 12.887 0.985 1.00 45.02 C ATOM 209 H MET C 40 6.323 12.577 5.946 1.00 0.00 H ATOM 210 N THR C 41 8.390 15.030 4.568 1.00 33.98 N ATOM 211 CA THR C 41 9.308 16.126 4.302 1.00 25.96 C ATOM 212 C THR C 41 10.770 15.712 4.415 1.00 24.39 C ATOM 213 O THR C 41 11.646 16.551 4.192 1.00 31.18 O ATOM 214 CB THR C 41 9.060 17.284 5.275 1.00 43.90 C ATOM 215 OG1 THR C 41 9.247 16.848 6.629 1.00 41.54 O ATOM 216 CG2 THR C 41 7.656 17.804 5.161 1.00 44.69 C ATOM 217 HG1 THR C 41 9.083 17.606 7.244 1.00 0.00 H ATOM 218 H THR C 41 8.151 14.800 5.554 1.00 0.00 H ATOM 219 N THR C 42 11.055 14.448 4.753 1.00 22.99 N ATOM 220 CA THR C 42 12.428 13.978 4.959 1.00 22.73 C ATOM 221 C THR C 42 13.120 13.717 3.615 1.00 24.66 C ATOM 222 O THR C 42 12.533 13.104 2.708 1.00 19.05 O ATOM 223 CB THR C 42 12.419 12.708 5.804 1.00 38.11 C ATOM 224 OG1 THR C 42 11.811 12.950 7.067 1.00 56.65 O ATOM 225 CG2 THR C 42 13.807 12.239 6.059 1.00 39.74 C ATOM 226 HG1 THR C 42 10.878 13.251 6.930 1.00 0.00 H ATOM 227 H THR C 42 10.272 13.774 4.874 1.00 0.00 H ATOM 228 N HIS C 43 14.353 14.222 3.473 1.00 22.14 N ATOM 229 CA HIS C 43 15.149 13.932 2.300 1.00 20.96 C ATOM 230 C HIS C 43 15.488 12.461 2.271 1.00 41.37 C ATOM 231 O HIS C 43 15.725 11.838 3.305 1.00 36.61 O ATOM 232 CB HIS C 43 16.437 14.705 2.277 1.00 19.26 C ATOM 233 CG HIS C 43 16.260 16.181 2.203 1.00 21.65 C ATOM 234 ND1 HIS C 43 15.698 16.815 1.123 1.00 24.13 N ATOM 235 CD2 HIS C 43 16.586 17.154 3.083 1.00 24.47 C ATOM 236 CE1 HIS C 43 15.679 18.115 1.335 1.00 24.66 C ATOM 237 NE2 HIS C 43 16.227 18.349 2.510 1.00 27.70 N ATOM 238 H HIS C 43 14.744 14.833 4.218 1.00 0.00 H ATOM 239 N LEU C 44 15.473 11.896 1.095 1.00 29.75 N ATOM 240 CA LEU C 44 15.578 10.468 0.993 1.00 19.16 C ATOM 241 C LEU C 44 17.012 9.993 0.946 1.00 24.83 C ATOM 242 O LEU C 44 17.237 8.786 0.982 1.00 29.09 O ATOM 243 CB LEU C 44 14.788 10.003 -0.232 1.00 16.83 C ATOM 244 CG LEU C 44 13.295 9.956 0.031 1.00 23.02 C ATOM 245 CD1 LEU C 44 12.467 9.851 -1.226 1.00 22.43 C ATOM 246 CD2 LEU C 44 12.971 8.791 0.939 1.00 16.78 C ATOM 247 H LEU C 44 15.385 12.477 0.237 1.00 0.00 H ATOM 248 N LYS C 45 17.996 10.895 0.919 1.00 24.35 N ATOM 249 CA LYS C 45 19.373 10.437 0.952 1.00 17.15 C ATOM 250 C LYS C 45 19.632 9.588 2.202 1.00 21.48 C ATOM 251 O LYS C 45 20.449 8.666 2.172 1.00 22.31 O ATOM 252 CB LYS C 45 20.348 11.605 0.903 1.00 17.67 C ATOM 253 CG LYS C 45 21.779 11.131 0.801 1.00 21.65 C ATOM 254 CD LYS C 45 22.720 12.146 1.391 1.00 31.24 C ATOM 255 CE LYS C 45 24.129 11.646 1.392 1.00 46.93 C ATOM 256 NZ LYS C 45 24.795 12.108 2.644 1.00 48.25 N ATOM 257 HZ1 LYS C 45 24.787 13.147 2.676 1.00 0.00 H ATOM 258 HZ2 LYS C 45 24.283 11.730 3.467 1.00 0.00 H ATOM 259 HZ3 LYS C 45 25.777 11.767 2.659 1.00 0.00 H ATOM 260 H LYS C 45 17.779 11.911 0.875 1.00 0.00 H ATOM 261 N LYS C 46 18.957 9.904 3.307 1.00 29.57 N ATOM 262 CA LYS C 46 19.071 9.106 4.521 1.00 37.86 C ATOM 263 C LYS C 46 18.582 7.687 4.300 1.00 19.50 C ATOM 264 O LYS C 46 19.106 6.747 4.892 1.00 20.59 O ATOM 265 CB LYS C 46 18.269 9.751 5.647 1.00 41.37 C ATOM 266 CG LYS C 46 18.892 10.987 6.274 1.00 64.13 C ATOM 267 CD LYS C 46 20.200 10.659 6.981 1.00 87.74 C ATOM 268 CE LYS C 46 19.963 9.748 8.178 1.00 64.82 C ATOM 269 NZ LYS C 46 20.071 8.312 7.777 1.00 69.70 N ATOM 270 HZ1 LYS C 46 19.360 8.103 7.048 1.00 0.00 H ATOM 271 HZ2 LYS C 46 21.022 8.130 7.398 1.00 0.00 H ATOM 272 HZ3 LYS C 46 19.906 7.708 8.607 1.00 0.00 H ATOM 273 H LYS C 46 18.336 10.738 3.303 1.00 0.00 H ATOM 274 N LEU C 47 17.514 7.536 3.520 1.00 16.85 N ATOM 275 CA LEU C 47 16.985 6.219 3.201 1.00 16.45 C ATOM 276 C LEU C 47 17.906 5.461 2.265 1.00 16.13 C ATOM 277 O LEU C 47 18.104 4.261 2.440 1.00 16.76 O ATOM 278 CB LEU C 47 15.615 6.314 2.576 1.00 16.76 C ATOM 279 CG LEU C 47 14.887 4.990 2.351 1.00 18.41 C ATOM 280 CD1 LEU C 47 13.418 5.375 2.407 1.00 18.01 C ATOM 281 CD2 LEU C 47 15.196 4.236 1.124 1.00 23.77 C ATOM 282 H LEU C 47 17.047 8.379 3.130 1.00 0.00 H ATOM 283 N LYS C 48 18.453 6.132 1.249 1.00 20.77 N ATOM 284 CA LYS C 48 19.427 5.490 0.379 1.00 18.45 C ATOM 285 C LYS C 48 20.649 5.034 1.164 1.00 22.86 C ATOM 286 O LYS C 48 21.107 3.907 1.010 1.00 18.06 O ATOM 287 CB LYS C 48 19.849 6.443 -0.727 1.00 16.17 C ATOM 288 CG LYS C 48 18.683 6.918 -1.521 1.00 28.57 C ATOM 289 CD LYS C 48 19.073 7.409 -2.878 1.00 20.75 C ATOM 290 CE LYS C 48 19.772 8.707 -2.791 1.00 20.79 C ATOM 291 NZ LYS C 48 20.205 9.144 -4.135 1.00 16.18 N ATOM 292 HZ1 LYS C 48 20.851 8.435 -4.537 1.00 0.00 H ATOM 293 HZ2 LYS C 48 19.373 9.245 -4.750 1.00 0.00 H ATOM 294 HZ3 LYS C 48 20.695 10.058 -4.060 1.00 0.00 H ATOM 295 H LYS C 48 18.181 7.121 1.078 1.00 0.00 H ATOM 296 N GLU C 49 21.170 5.890 2.033 1.00 20.27 N ATOM 297 CA GLU C 49 22.363 5.541 2.772 1.00 24.32 C ATOM 298 C GLU C 49 22.104 4.414 3.771 1.00 19.53 C ATOM 299 O GLU C 49 22.960 3.544 3.941 1.00 17.20 O ATOM 300 CB GLU C 49 22.940 6.773 3.460 1.00 28.19 C ATOM 301 CG GLU C 49 23.766 7.638 2.542 1.00 41.64 C ATOM 302 CD GLU C 49 24.426 8.786 3.258 1.00 43.23 C ATOM 303 OE1 GLU C 49 23.858 9.279 4.242 1.00 37.08 O ATOM 304 OE2 GLU C 49 25.540 9.174 2.853 1.00 36.34 O ATOM 305 H GLU C 49 20.719 6.815 2.183 1.00 0.00 H ATOM 306 N SER C 50 20.927 4.373 4.401 1.00 18.04 N ATOM 307 CA SER C 50 20.654 3.313 5.370 1.00 26.86 C ATOM 308 C SER C 50 20.519 1.960 4.690 1.00 25.72 C ATOM 309 O SER C 50 21.118 0.968 5.131 1.00 22.51 O ATOM 310 CB SER C 50 19.386 3.614 6.168 1.00 22.33 C ATOM 311 OG SER C 50 19.137 2.598 7.134 1.00 21.75 O ATOM 312 HG SER C 50 18.312 2.817 7.636 1.00 0.00 H ATOM 313 H SER C 50 20.205 5.095 4.202 1.00 0.00 H ATOM 314 N TYR C 51 19.747 1.911 3.611 1.00 16.55 N ATOM 315 CA TYR C 51 19.594 0.671 2.872 1.00 16.19 C ATOM 316 C TYR C 51 20.935 0.156 2.378 1.00 16.40 C ATOM 317 O TYR C 51 21.192 -1.044 2.446 1.00 25.36 O ATOM 318 CB TYR C 51 18.635 0.874 1.713 1.00 16.57 C ATOM 319 CG TYR C 51 18.376 -0.423 0.991 1.00 17.60 C ATOM 320 CD1 TYR C 51 17.379 -1.262 1.413 1.00 25.07 C ATOM 321 CD2 TYR C 51 19.168 -0.824 -0.061 1.00 15.96 C ATOM 322 CE1 TYR C 51 17.165 -2.460 0.789 1.00 21.75 C ATOM 323 CE2 TYR C 51 18.951 -2.015 -0.705 1.00 16.65 C ATOM 324 CZ TYR C 51 17.965 -2.828 -0.264 1.00 26.77 C ATOM 325 OH TYR C 51 17.739 -4.024 -0.888 1.00 23.03 O ATOM 326 HH TYR C 51 16.988 -4.491 -0.443 1.00 0.00 H ATOM 327 H TYR C 51 19.249 2.767 3.293 1.00 0.00 H ATOM 328 N ALA C 52 21.801 1.036 1.863 1.00 18.39 N ATOM 329 CA ALA C 52 23.076 0.580 1.331 1.00 16.81 C ATOM 330 C ALA C 52 23.945 -0.047 2.407 1.00 20.38 C ATOM 331 O ALA C 52 24.571 -1.080 2.177 1.00 18.60 O ATOM 332 CB ALA C 52 23.809 1.738 0.694 1.00 16.91 C ATOM 333 H ALA C 52 21.562 2.048 1.843 1.00 0.00 H ATOM 334 N GLN C 53 23.937 0.521 3.613 1.00 21.40 N ATOM 335 CA GLN C 53 24.756 -0.006 4.701 1.00 25.41 C ATOM 336 C GLN C 53 24.336 -1.406 5.084 1.00 17.99 C ATOM 337 O GLN C 53 25.185 -2.267 5.301 1.00 19.15 O ATOM 338 CB GLN C 53 24.671 0.928 5.902 1.00 20.66 C ATOM 339 CG GLN C 53 25.373 0.462 7.140 1.00 23.38 C ATOM 340 CD GLN C 53 25.033 1.341 8.342 1.00 30.08 C ATOM 341 OE1 GLN C 53 24.012 2.026 8.358 1.00 39.35 O ATOM 342 NE2 GLN C 53 25.876 1.312 9.350 1.00 19.72 N ATOM 343 HE22 GLN C 53 26.729 0.719 9.298 1.00 0.00 H ATOM 344 HE21 GLN C 53 25.690 1.882 10.200 1.00 0.00 H ATOM 345 H GLN C 53 23.337 1.354 3.782 1.00 0.00 H ATOM 346 N ARG C 54 23.033 -1.654 5.143 1.00 18.75 N ATOM 347 CA ARG C 54 22.520 -2.939 5.572 1.00 17.70 C ATOM 348 C ARG C 54 22.698 -3.975 4.496 1.00 20.17 C ATOM 349 O ARG C 54 22.536 -5.169 4.763 1.00 24.73 O ATOM 350 CB ARG C 54 21.063 -2.774 5.979 1.00 18.63 C ATOM 351 CG ARG C 54 20.925 -1.852 7.157 1.00 17.53 C ATOM 352 CD ARG C 54 19.499 -1.465 7.451 1.00 17.32 C ATOM 353 NE ARG C 54 19.479 -0.653 8.648 1.00 17.66 N ATOM 354 CZ ARG C 54 19.446 -1.120 9.891 1.00 19.26 C ATOM 355 NH1 ARG C 54 19.397 -2.403 10.131 1.00 22.82 N ATOM 356 NH2 ARG C 54 19.446 -0.298 10.913 1.00 43.99 N ATOM 357 HE ARG C 54 19.491 0.380 8.525 1.00 0.00 H ATOM 358 HH12 ARG C 54 19.372 -2.748 11.112 1.00 0.00 H ATOM 359 HH11 ARG C 54 19.383 -3.080 9.341 1.00 0.00 H ATOM 360 HH22 ARG C 54 19.420 -0.674 11.882 1.00 0.00 H ATOM 361 HH21 ARG C 54 19.472 0.729 10.754 1.00 0.00 H ATOM 362 H ARG C 54 22.363 -0.906 4.874 1.00 0.00 H ATOM 363 N GLN C 55 22.987 -3.550 3.289 1.00 32.63 N ATOM 364 CA GLN C 55 23.425 -4.442 2.236 1.00 37.79 C ATOM 365 C GLN C 55 24.933 -4.564 2.211 1.00 33.68 C ATOM 366 O GLN C 55 25.448 -5.395 1.489 1.00 35.78 O ATOM 367 CB GLN C 55 22.973 -3.950 0.853 1.00 28.21 C ATOM 368 CG GLN C 55 21.515 -3.610 0.756 1.00 28.06 C ATOM 369 CD GLN C 55 20.648 -4.751 1.194 1.00 26.96 C ATOM 370 OE1 GLN C 55 19.763 -4.578 2.018 1.00 38.77 O ATOM 371 NE2 GLN C 55 20.899 -5.927 0.656 1.00 20.04 N ATOM 372 HE22 GLN C 55 21.663 -6.027 -0.042 1.00 0.00 H ATOM 373 HE21 GLN C 55 20.333 -6.755 0.929 1.00 0.00 H ATOM 374 H GLN C 55 22.898 -2.535 3.081 1.00 0.00 H ATOM 375 N GLY C 56 25.639 -3.740 2.973 1.00 37.32 N ATOM 376 CA GLY C 56 27.086 -3.654 2.950 1.00 30.33 C ATOM 377 C GLY C 56 27.685 -3.205 1.640 1.00 32.21 C ATOM 378 O GLY C 56 28.787 -3.635 1.285 1.00 30.21 O ATOM 379 H GLY C 56 25.123 -3.117 3.627 1.00 0.00 H ATOM 380 N VAL C 57 27.040 -2.268 0.962 1.00 40.68 N ATOM 381 CA VAL C 57 27.499 -1.802 -0.338 1.00 30.21 C ATOM 382 C VAL C 57 27.477 -0.279 -0.313 1.00 31.63 C ATOM 383 O VAL C 57 26.724 0.316 0.463 1.00 23.37 O ATOM 384 CB VAL C 57 26.650 -2.357 -1.484 1.00 29.78 C ATOM 385 CG1 VAL C 57 26.882 -3.838 -1.683 1.00 20.74 C ATOM 386 CG2 VAL C 57 25.194 -2.115 -1.202 1.00 42.32 C ATOM 387 H VAL C 57 26.179 -1.852 1.371 1.00 0.00 H ATOM 388 N PRO C 58 28.285 0.383 -1.142 1.00 37.91 N ATOM 389 CA PRO C 58 28.242 1.850 -1.185 1.00 31.51 C ATOM 390 C PRO C 58 26.949 2.328 -1.811 1.00 25.74 C ATOM 391 O PRO C 58 26.446 1.718 -2.752 1.00 34.28 O ATOM 392 CB PRO C 58 29.452 2.213 -2.047 1.00 37.29 C ATOM 393 CG PRO C 58 30.195 0.937 -2.287 1.00 41.25 C ATOM 394 CD PRO C 58 29.255 -0.179 -2.091 1.00 36.79 C ATOM 395 N MET C 59 26.408 3.420 -1.258 1.00 18.31 N ATOM 396 CA MET C 59 25.193 4.001 -1.789 1.00 22.60 C ATOM 397 C MET C 59 25.332 4.321 -3.266 1.00 26.48 C ATOM 398 O MET C 59 24.334 4.390 -3.990 1.00 48.09 O ATOM 399 CB MET C 59 24.823 5.272 -1.037 1.00 24.53 C ATOM 400 CG MET C 59 23.483 5.769 -1.451 1.00 20.94 C ATOM 401 SD MET C 59 23.172 7.407 -0.855 1.00 38.72 S ATOM 402 CE MET C 59 23.429 8.242 -2.391 1.00 42.12 C ATOM 403 H MET C 59 26.867 3.858 -0.434 1.00 0.00 H ATOM 404 N ASN C 60 26.536 4.569 -3.724 1.00 26.87 N ATOM 405 CA ASN C 60 26.741 4.979 -5.105 1.00 30.05 C ATOM 406 C ASN C 60 26.910 3.817 -6.069 1.00 29.54 C ATOM 407 O ASN C 60 27.006 4.055 -7.267 1.00 29.80 O ATOM 408 CB ASN C 60 27.936 5.916 -5.142 1.00 30.95 C ATOM 409 CG ASN C 60 29.245 5.202 -4.979 1.00 47.18 C ATOM 410 OD1 ASN C 60 29.376 3.989 -5.204 1.00 50.64 O ATOM 411 ND2 ASN C 60 30.246 5.954 -4.577 1.00 54.45 N ATOM 412 HD22 ASN C 60 30.096 6.968 -4.399 1.00 0.00 H ATOM 413 HD21 ASN C 60 31.188 5.535 -4.437 1.00 0.00 H ATOM 414 H ASN C 60 27.355 4.471 -3.091 1.00 0.00 H ATOM 415 N SER C 61 26.915 2.583 -5.587 1.00 29.07 N ATOM 416 CA SER C 61 26.834 1.381 -6.395 1.00 20.87 C ATOM 417 C SER C 61 25.414 0.998 -6.758 1.00 27.52 C ATOM 418 O SER C 61 25.216 0.027 -7.499 1.00 18.19 O ATOM 419 CB SER C 61 27.467 0.216 -5.636 1.00 26.57 C ATOM 420 OG SER C 61 26.794 -0.064 -4.406 1.00 21.71 O ATOM 421 HG SER C 61 26.828 0.736 -3.823 1.00 0.00 H ATOM 422 H SER C 61 26.982 2.468 -4.556 1.00 0.00 H ATOM 423 N LEU C 62 24.439 1.727 -6.235 1.00 26.58 N ATOM 424 CA LEU C 62 23.032 1.379 -6.323 1.00 23.52 C ATOM 425 C LEU C 62 22.232 2.532 -6.912 1.00 16.55 C ATOM 426 O LEU C 62 22.640 3.678 -6.867 1.00 26.59 O ATOM 427 CB LEU C 62 22.475 1.038 -4.946 1.00 16.58 C ATOM 428 CG LEU C 62 23.037 -0.137 -4.167 1.00 24.46 C ATOM 429 CD1 LEU C 62 22.483 -0.154 -2.782 1.00 29.35 C ATOM 430 CD2 LEU C 62 22.635 -1.334 -4.907 1.00 33.52 C ATOM 431 H LEU C 62 24.697 2.600 -5.732 1.00 0.00 H ATOM 432 N ARG C 63 21.092 2.198 -7.475 1.00 16.38 N ATOM 433 CA ARG C 63 20.171 3.202 -7.964 1.00 23.13 C ATOM 434 C ARG C 63 18.779 2.865 -7.443 1.00 17.81 C ATOM 435 O ARG C 63 18.298 1.736 -7.602 1.00 16.22 O ATOM 436 CB ARG C 63 20.207 3.316 -9.502 1.00 26.06 C ATOM 437 CG ARG C 63 19.718 2.157 -10.333 1.00 27.85 C ATOM 438 CD ARG C 63 20.125 2.275 -11.837 1.00 19.80 C ATOM 439 NE ARG C 63 19.719 1.070 -12.551 1.00 19.84 N ATOM 440 CZ ARG C 63 18.731 0.974 -13.437 1.00 17.79 C ATOM 441 NH1 ARG C 63 18.064 2.032 -13.806 1.00 19.15 N ATOM 442 NH2 ARG C 63 18.457 -0.193 -13.986 1.00 31.43 N ATOM 443 HE ARG C 63 20.254 0.201 -12.348 1.00 0.00 H ATOM 444 HH12 ARG C 63 17.294 1.945 -14.499 1.00 0.00 H ATOM 445 HH11 ARG C 63 18.302 2.962 -13.407 1.00 0.00 H ATOM 446 HH22 ARG C 63 17.686 -0.273 -14.679 1.00 0.00 H ATOM 447 HH21 ARG C 63 19.012 -1.033 -13.726 1.00 0.00 H ATOM 448 H ARG C 63 20.847 1.192 -7.571 1.00 0.00 H ATOM 449 N PHE C 64 18.155 3.840 -6.800 1.00 20.65 N ATOM 450 CA PHE C 64 16.856 3.680 -6.149 1.00 17.44 C ATOM 451 C PHE C 64 15.781 4.330 -7.026 1.00 24.15 C ATOM 452 O PHE C 64 15.867 5.524 -7.343 1.00 21.54 O ATOM 453 CB PHE C 64 16.866 4.305 -4.755 1.00 15.34 C ATOM 454 CG PHE C 64 17.936 3.738 -3.800 1.00 15.40 C ATOM 455 CD1 PHE C 64 19.268 4.122 -3.909 1.00 15.55 C ATOM 456 CD2 PHE C 64 17.594 2.877 -2.784 1.00 15.38 C ATOM 457 CE1 PHE C 64 20.205 3.612 -3.062 1.00 15.71 C ATOM 458 CE2 PHE C 64 18.529 2.410 -1.925 1.00 16.76 C ATOM 459 CZ PHE C 64 19.834 2.779 -2.075 1.00 17.86 C ATOM 460 H PHE C 64 18.615 4.772 -6.756 1.00 0.00 H ATOM 461 N LEU C 65 14.777 3.543 -7.419 1.00 22.36 N ATOM 462 CA LEU C 65 13.755 3.990 -8.364 1.00 16.48 C ATOM 463 C LEU C 65 12.368 4.014 -7.735 1.00 16.78 C ATOM 464 O LEU C 65 11.984 3.075 -7.042 1.00 17.39 O ATOM 465 CB LEU C 65 13.756 3.081 -9.593 1.00 17.24 C ATOM 466 CG LEU C 65 15.110 2.853 -10.270 1.00 16.16 C ATOM 467 CD1 LEU C 65 14.909 1.990 -11.479 1.00 16.62 C ATOM 468 CD2 LEU C 65 15.736 4.151 -10.599 1.00 16.10 C ATOM 469 H LEU C 65 14.720 2.577 -7.039 1.00 0.00 H ATOM 470 N PHE C 66 11.620 5.081 -7.988 1.00 18.13 N ATOM 471 CA PHE C 66 10.222 5.168 -7.592 1.00 22.76 C ATOM 472 C PHE C 66 9.397 5.298 -8.872 1.00 22.31 C ATOM 473 O PHE C 66 9.397 6.349 -9.517 1.00 16.69 O ATOM 474 CB PHE C 66 9.949 6.341 -6.644 1.00 20.96 C ATOM 475 CG PHE C 66 8.506 6.425 -6.234 1.00 16.67 C ATOM 476 CD1 PHE C 66 7.896 5.350 -5.610 1.00 19.45 C ATOM 477 CD2 PHE C 66 7.753 7.567 -6.458 1.00 17.07 C ATOM 478 CE1 PHE C 66 6.551 5.406 -5.272 1.00 21.99 C ATOM 479 CE2 PHE C 66 6.402 7.611 -6.105 1.00 17.60 C ATOM 480 CZ PHE C 66 5.811 6.540 -5.542 1.00 17.71 C ATOM 481 H PHE C 66 12.049 5.885 -8.488 1.00 0.00 H ATOM 482 N GLU C 67 8.678 4.244 -9.235 1.00 21.55 N ATOM 483 CA GLU C 67 7.951 4.238 -10.491 1.00 23.39 C ATOM 484 C GLU C 67 8.938 4.423 -11.633 1.00 17.25 C ATOM 485 O GLU C 67 8.706 5.171 -12.574 1.00 17.51 O ATOM 486 CB GLU C 67 6.866 5.313 -10.483 1.00 24.20 C ATOM 487 CG GLU C 67 5.857 5.076 -9.380 1.00 17.88 C ATOM 488 CD GLU C 67 4.671 5.975 -9.454 1.00 24.38 C ATOM 489 OE1 GLU C 67 4.719 6.990 -10.156 1.00 30.73 O ATOM 490 OE2 GLU C 67 3.685 5.689 -8.756 1.00 38.99 O ATOM 491 H GLU C 67 8.635 3.412 -8.612 1.00 0.00 H ATOM 492 N GLY C 68 10.085 3.794 -11.506 1.00 18.30 N ATOM 493 CA GLY C 68 11.080 3.858 -12.539 1.00 20.21 C ATOM 494 C GLY C 68 11.986 5.054 -12.491 1.00 16.77 C ATOM 495 O GLY C 68 12.967 5.103 -13.236 1.00 20.46 O ATOM 496 H GLY C 68 10.275 3.242 -10.645 1.00 0.00 H ATOM 497 N GLN C 69 11.688 6.015 -11.657 1.00 16.57 N ATOM 498 CA GLN C 69 12.373 7.294 -11.674 1.00 22.13 C ATOM 499 C GLN C 69 13.376 7.330 -10.553 1.00 23.61 C ATOM 500 O GLN C 69 13.055 6.971 -9.431 1.00 23.48 O ATOM 501 CB GLN C 69 11.360 8.432 -11.586 1.00 43.44 C ATOM 502 CG GLN C 69 10.471 8.476 -12.859 1.00 55.76 C ATOM 503 CD GLN C 69 9.366 9.483 -12.779 1.00 37.62 C ATOM 504 OE1 GLN C 69 9.549 10.634 -13.158 1.00 29.76 O ATOM 505 NE2 GLN C 69 8.197 9.053 -12.325 1.00 55.36 N ATOM 506 HE22 GLN C 69 8.091 8.066 -12.014 1.00 0.00 H ATOM 507 HE21 GLN C 69 7.386 9.703 -12.279 1.00 0.00 H ATOM 508 H GLN C 69 10.935 5.858 -10.958 1.00 0.00 H ATOM 509 N ARG C 70 14.591 7.747 -10.876 1.00 27.52 N ATOM 510 CA ARG C 70 15.673 7.699 -9.914 1.00 22.54 C ATOM 511 C ARG C 70 15.449 8.755 -8.857 1.00 17.03 C ATOM 512 O ARG C 70 15.311 9.941 -9.162 1.00 21.59 O ATOM 513 CB ARG C 70 17.023 7.931 -10.565 1.00 47.48 C ATOM 514 CG ARG C 70 18.186 7.675 -9.614 1.00 38.04 C ATOM 515 CD ARG C 70 19.487 7.923 -10.291 1.00 24.29 C ATOM 516 NE ARG C 70 19.775 6.989 -11.357 1.00 24.28 N ATOM 517 CZ ARG C 70 20.878 6.242 -11.462 1.00 23.27 C ATOM 518 NH1 ARG C 70 21.842 6.308 -10.561 1.00 23.19 N ATOM 519 NH2 ARG C 70 21.036 5.458 -12.510 1.00 30.59 N ATOM 520 HE ARG C 70 19.062 6.890 -12.107 1.00 0.00 H ATOM 521 HH12 ARG C 70 22.691 5.717 -10.664 1.00 0.00 H ATOM 522 HH11 ARG C 70 21.751 6.951 -9.749 1.00 0.00 H ATOM 523 HH22 ARG C 70 21.892 4.874 -12.598 1.00 0.00 H ATOM 524 HH21 ARG C 70 20.305 5.424 -13.249 1.00 0.00 H ATOM 525 H ARG C 70 14.770 8.114 -11.833 1.00 0.00 H ATOM 526 N ILE C 71 15.512 8.330 -7.619 1.00 15.74 N ATOM 527 CA ILE C 71 15.350 9.194 -6.462 1.00 18.15 C ATOM 528 C ILE C 71 16.684 9.854 -6.134 1.00 16.63 C ATOM 529 O ILE C 71 17.688 9.166 -5.942 1.00 22.88 O ATOM 530 CB ILE C 71 14.821 8.361 -5.278 1.00 18.70 C ATOM 531 CG1 ILE C 71 13.417 7.894 -5.640 1.00 15.76 C ATOM 532 CG2 ILE C 71 14.922 9.130 -3.976 1.00 18.50 C ATOM 533 CD1 ILE C 71 12.985 6.769 -4.897 1.00 15.67 C ATOM 534 H ILE C 71 15.688 7.318 -7.455 1.00 0.00 H ATOM 535 N ALA C 72 16.704 11.187 -6.106 1.00 16.34 N ATOM 536 CA ALA C 72 17.885 11.959 -5.767 1.00 17.20 C ATOM 537 C ALA C 72 18.012 12.157 -4.271 1.00 16.70 C ATOM 538 O ALA C 72 17.068 12.010 -3.514 1.00 16.70 O ATOM 539 CB ALA C 72 17.832 13.315 -6.465 1.00 33.53 C ATOM 540 H ALA C 72 15.829 11.699 -6.339 1.00 0.00 H ATOM 541 N ASP C 73 19.205 12.538 -3.850 1.00 18.22 N ATOM 542 CA ASP C 73 19.491 12.684 -2.428 1.00 21.80 C ATOM 543 C ASP C 73 18.552 13.661 -1.755 1.00 19.34 C ATOM 544 O ASP C 73 18.158 13.442 -0.614 1.00 25.27 O ATOM 545 CB ASP C 73 20.934 13.138 -2.224 1.00 24.47 C ATOM 546 CG ASP C 73 21.943 12.026 -2.387 1.00 27.67 C ATOM 547 OD1 ASP C 73 21.557 10.844 -2.426 1.00 23.89 O ATOM 548 OD2 ASP C 73 23.138 12.349 -2.453 1.00 26.79 O ATOM 549 H ASP C 73 19.953 12.737 -4.545 1.00 0.00 H ATOM 550 N ASN C 74 18.159 14.723 -2.442 1.00 19.73 N ATOM 551 CA ASN C 74 17.337 15.770 -1.856 1.00 27.35 C ATOM 552 C ASN C 74 15.857 15.629 -2.172 1.00 22.06 C ATOM 553 O ASN C 74 15.072 16.474 -1.754 1.00 25.88 O ATOM 554 CB ASN C 74 17.818 17.137 -2.320 1.00 39.33 C ATOM 555 CG ASN C 74 19.077 17.554 -1.635 1.00 49.51 C ATOM 556 OD1 ASN C 74 19.259 17.278 -0.457 1.00 48.57 O ATOM 557 ND2 ASN C 74 19.975 18.199 -2.372 1.00 48.98 N ATOM 558 HD22 ASN C 74 19.773 18.411 -3.370 1.00 0.00 H ATOM 559 HD21 ASN C 74 20.880 18.492 -1.951 1.00 0.00 H ATOM 560 H ASN C 74 18.449 14.811 -3.437 1.00 0.00 H ATOM 561 N HIS C 75 15.454 14.601 -2.903 1.00 19.82 N ATOM 562 CA HIS C 75 14.041 14.342 -3.058 1.00 17.84 C ATOM 563 C HIS C 75 13.460 13.942 -1.715 1.00 21.56 C ATOM 564 O HIS C 75 14.155 13.391 -0.857 1.00 21.44 O ATOM 565 CB HIS C 75 13.815 13.229 -4.052 1.00 17.25 C ATOM 566 CG HIS C 75 13.703 13.687 -5.462 1.00 23.83 C ATOM 567 ND1 HIS C 75 14.210 12.964 -6.514 1.00 22.20 N ATOM 568 CD2 HIS C 75 13.087 14.762 -6.006 1.00 25.72 C ATOM 569 CE1 HIS C 75 13.941 13.587 -7.645 1.00 23.87 C ATOM 570 NE2 HIS C 75 13.278 14.691 -7.362 1.00 24.55 N ATOM 571 H HIS C 75 16.152 13.983 -3.364 1.00 0.00 H ATOM 572 N THR C 76 12.179 14.241 -1.530 1.00 18.41 N ATOM 573 CA THR C 76 11.388 13.878 -0.367 1.00 21.69 C ATOM 574 C THR C 76 10.171 13.089 -0.847 1.00 21.69 C ATOM 575 O THR C 76 9.840 13.111 -2.033 1.00 22.83 O ATOM 576 CB THR C 76 10.907 15.097 0.424 1.00 19.69 C ATOM 577 OG1 THR C 76 9.868 15.747 -0.298 1.00 21.75 O ATOM 578 CG2 THR C 76 12.014 16.138 0.644 1.00 20.07 C ATOM 579 HG1 THR C 76 9.556 16.536 0.213 1.00 0.00 H ATOM 580 H THR C 76 11.702 14.780 -2.281 1.00 0.00 H ATOM 581 N PRO C 77 9.496 12.360 0.042 1.00 21.43 N ATOM 582 CA PRO C 77 8.298 11.628 -0.389 1.00 22.48 C ATOM 583 C PRO C 77 7.191 12.509 -0.911 1.00 19.34 C ATOM 584 O PRO C 77 6.475 12.114 -1.826 1.00 21.15 O ATOM 585 CB PRO C 77 7.889 10.867 0.873 1.00 18.85 C ATOM 586 CG PRO C 77 9.107 10.661 1.603 1.00 18.54 C ATOM 587 CD PRO C 77 9.958 11.885 1.355 1.00 21.94 C ATOM 588 N LYS C 78 6.994 13.679 -0.344 1.00 25.07 N ATOM 589 CA LYS C 78 5.978 14.576 -0.883 1.00 32.44 C ATOM 590 C LYS C 78 6.348 15.068 -2.278 1.00 20.60 C ATOM 591 O LYS C 78 5.502 15.145 -3.165 1.00 20.85 O ATOM 592 CB LYS C 78 5.761 15.784 0.014 1.00 25.90 C ATOM 593 CG LYS C 78 4.524 16.527 -0.430 1.00 22.87 C ATOM 594 CD LYS C 78 4.280 17.779 0.368 1.00 33.45 C ATOM 595 CE LYS C 78 3.003 18.458 -0.085 1.00 38.31 C ATOM 596 NZ LYS C 78 2.872 19.765 0.575 1.00 49.25 N ATOM 597 HZ1 LYS C 78 2.843 19.630 1.606 1.00 0.00 H ATOM 598 HZ2 LYS C 78 3.686 20.361 0.325 1.00 0.00 H ATOM 599 HZ3 LYS C 78 1.994 20.225 0.260 1.00 0.00 H ATOM 600 H LYS C 78 7.558 13.963 0.482 1.00 0.00 H ATOM 601 N GLU C 79 7.605 15.453 -2.473 1.00 20.21 N ATOM 602 CA GLU C 79 8.024 15.928 -3.780 1.00 23.98 C ATOM 603 C GLU C 79 7.754 14.869 -4.835 1.00 19.42 C ATOM 604 O GLU C 79 7.374 15.184 -5.964 1.00 19.58 O ATOM 605 CB GLU C 79 9.508 16.309 -3.774 1.00 20.14 C ATOM 606 CG GLU C 79 9.863 17.461 -2.877 1.00 27.60 C ATOM 607 CD GLU C 79 11.183 18.089 -3.165 1.00 36.60 C ATOM 608 OE1 GLU C 79 12.204 17.616 -2.683 1.00 41.91 O ATOM 609 OE2 GLU C 79 11.216 19.096 -3.871 1.00 40.69 O ATOM 610 H GLU C 79 8.288 15.414 -1.690 1.00 0.00 H ATOM 611 N LEU C 80 7.924 13.609 -4.488 1.00 26.48 N ATOM 612 CA LEU C 80 7.681 12.536 -5.432 1.00 18.41 C ATOM 613 C LEU C 80 6.245 12.035 -5.435 1.00 26.69 C ATOM 614 O LEU C 80 5.911 11.205 -6.271 1.00 30.84 O ATOM 615 CB LEU C 80 8.605 11.366 -5.149 1.00 17.69 C ATOM 616 CG LEU C 80 10.073 11.698 -5.374 1.00 19.60 C ATOM 617 CD1 LEU C 80 10.952 10.453 -5.129 1.00 26.43 C ATOM 618 CD2 LEU C 80 10.266 12.309 -6.771 1.00 24.69 C ATOM 619 H LEU C 80 8.237 13.381 -3.523 1.00 0.00 H ATOM 620 N GLY C 81 5.401 12.489 -4.529 1.00 27.03 N ATOM 621 CA GLY C 81 4.031 12.034 -4.514 1.00 36.88 C ATOM 622 C GLY C 81 3.865 10.658 -3.918 1.00 39.16 C ATOM 623 O GLY C 81 2.909 9.955 -4.243 1.00 45.92 O ATOM 624 H GLY C 81 5.724 13.179 -3.821 1.00 0.00 H ATOM 625 N MET C 82 4.773 10.256 -3.045 1.00 28.74 N ATOM 626 CA MET C 82 4.727 8.931 -2.460 1.00 26.04 C ATOM 627 C MET C 82 3.622 8.871 -1.426 1.00 20.85 C ATOM 628 O MET C 82 3.322 9.848 -0.759 1.00 20.27 O ATOM 629 CB MET C 82 6.082 8.607 -1.824 1.00 36.20 C ATOM 630 CG MET C 82 7.194 8.403 -2.827 1.00 51.34 C ATOM 631 SD MET C 82 8.743 8.018 -2.054 1.00 52.64 S ATOM 632 CE MET C 82 9.727 7.654 -3.495 1.00 49.19 C ATOM 633 H MET C 82 5.538 10.906 -2.772 1.00 0.00 H ATOM 634 N GLU C 83 2.985 7.728 -1.333 1.00 23.37 N ATOM 635 CA GLU C 83 1.919 7.536 -0.380 1.00 32.48 C ATOM 636 C GLU C 83 2.284 6.381 0.524 1.00 21.49 C ATOM 637 O GLU C 83 3.310 5.745 0.343 1.00 23.36 O ATOM 638 CB GLU C 83 0.606 7.256 -1.088 1.00 36.43 C ATOM 639 CG GLU C 83 0.026 8.456 -1.745 1.00 40.15 C ATOM 640 CD GLU C 83 -1.296 8.160 -2.352 1.00 38.18 C ATOM 641 OE1 GLU C 83 -1.928 9.104 -2.866 1.00 33.88 O ATOM 642 OE2 GLU C 83 -1.698 6.981 -2.297 1.00 48.14 O ATOM 643 H GLU C 83 3.254 6.943 -1.960 1.00 0.00 H ATOM 644 N GLU C 84 1.399 6.064 1.457 1.00 29.25 N ATOM 645 CA GLU C 84 1.618 4.957 2.384 1.00 33.60 C ATOM 646 C GLU C 84 1.674 3.609 1.675 1.00 31.56 C ATOM 647 O GLU C 84 0.990 3.362 0.686 1.00 43.20 O ATOM 648 CB GLU C 84 0.502 4.986 3.446 1.00 43.38 C ATOM 649 CG GLU C 84 0.456 3.808 4.416 1.00 46.38 C ATOM 650 CD GLU C 84 1.513 3.825 5.496 1.00 37.09 C ATOM 651 OE1 GLU C 84 2.153 4.853 5.719 1.00 31.13 O ATOM 652 OE2 GLU C 84 1.690 2.786 6.155 1.00 33.36 O ATOM 653 H GLU C 84 0.523 6.619 1.532 1.00 0.00 H ATOM 654 N GLU C 85 2.524 2.741 2.194 1.00 22.97 N ATOM 655 CA GLU C 85 2.834 1.408 1.689 1.00 33.62 C ATOM 656 C GLU C 85 3.457 1.422 0.294 1.00 34.43 C ATOM 657 O GLU C 85 3.704 0.347 -0.285 1.00 32.57 O ATOM 658 CB GLU C 85 1.595 0.496 1.689 1.00 48.43 C ATOM 659 CG GLU C 85 0.836 0.328 3.044 1.00 43.97 C ATOM 660 CD GLU C 85 1.438 -0.697 3.998 1.00 47.73 C ATOM 661 OE1 GLU C 85 2.204 -1.568 3.556 1.00 25.90 O ATOM 662 OE2 GLU C 85 1.117 -0.628 5.206 1.00 30.37 O ATOM 663 H GLU C 85 3.026 3.040 3.055 1.00 0.00 H ATOM 664 N ASP C 86 3.779 2.601 -0.240 1.00 34.97 N ATOM 665 CA ASP C 86 4.406 2.671 -1.548 1.00 24.08 C ATOM 666 C ASP C 86 5.781 2.000 -1.557 1.00 17.70 C ATOM 667 O ASP C 86 6.398 1.763 -0.535 1.00 20.71 O ATOM 668 CB ASP C 86 4.516 4.118 -2.028 1.00 21.64 C ATOM 669 CG ASP C 86 3.425 4.484 -2.994 1.00 29.53 C ATOM 670 OD1 ASP C 86 2.809 3.576 -3.581 1.00 33.34 O ATOM 671 OD2 ASP C 86 3.155 5.678 -3.153 1.00 30.47 O ATOM 672 H ASP C 86 3.580 3.477 0.284 1.00 0.00 H ATOM 673 N VAL C 87 6.255 1.738 -2.771 1.00 27.61 N ATOM 674 CA VAL C 87 7.357 0.826 -3.043 1.00 23.98 C ATOM 675 C VAL C 87 8.474 1.562 -3.776 1.00 26.78 C ATOM 676 O VAL C 87 8.232 2.350 -4.705 1.00 16.58 O ATOM 677 CB VAL C 87 6.860 -0.382 -3.857 1.00 17.27 C ATOM 678 CG1 VAL C 87 7.979 -1.232 -4.253 1.00 21.82 C ATOM 679 CG2 VAL C 87 5.834 -1.142 -3.061 1.00 17.75 C ATOM 680 H VAL C 87 5.809 2.216 -3.580 1.00 0.00 H ATOM 681 N ILE C 88 9.692 1.342 -3.307 1.00 21.80 N ATOM 682 CA ILE C 88 10.898 1.774 -3.967 1.00 15.88 C ATOM 683 C ILE C 88 11.635 0.516 -4.396 1.00 15.89 C ATOM 684 O ILE C 88 11.750 -0.433 -3.619 1.00 21.71 O ATOM 685 CB ILE C 88 11.764 2.616 -3.029 1.00 15.67 C ATOM 686 CG1 ILE C 88 11.060 3.898 -2.612 1.00 15.84 C ATOM 687 CG2 ILE C 88 13.036 2.937 -3.746 1.00 15.48 C ATOM 688 CD1 ILE C 88 11.529 4.442 -1.282 1.00 16.82 C ATOM 689 H ILE C 88 9.784 0.827 -2.408 1.00 0.00 H ATOM 690 N GLU C 89 12.129 0.502 -5.619 1.00 15.92 N ATOM 691 CA GLU C 89 12.939 -0.602 -6.111 1.00 16.07 C ATOM 692 C GLU C 89 14.402 -0.200 -6.146 1.00 15.89 C ATOM 693 O GLU C 89 14.732 0.906 -6.588 1.00 23.61 O ATOM 694 CB GLU C 89 12.528 -0.986 -7.519 1.00 21.61 C ATOM 695 CG GLU C 89 11.106 -1.338 -7.688 1.00 26.48 C ATOM 696 CD GLU C 89 10.821 -1.611 -9.137 1.00 21.72 C ATOM 697 OE1 GLU C 89 10.295 -0.698 -9.811 1.00 22.05 O ATOM 698 OE2 GLU C 89 11.215 -2.708 -9.603 1.00 19.14 O ATOM 699 H GLU C 89 11.934 1.305 -6.251 1.00 0.00 H ATOM 700 N VAL C 90 15.277 -1.093 -5.696 1.00 17.26 N ATOM 701 CA VAL C 90 16.720 -0.872 -5.731 1.00 17.05 C ATOM 702 C VAL C 90 17.314 -1.747 -6.836 1.00 16.44 C ATOM 703 O VAL C 90 17.258 -2.970 -6.770 1.00 23.69 O ATOM 704 CB VAL C 90 17.377 -1.164 -4.378 1.00 21.75 C ATOM 705 CG1 VAL C 90 18.853 -0.925 -4.453 1.00 25.17 C ATOM 706 CG2 VAL C 90 16.781 -0.300 -3.293 1.00 19.36 C ATOM 707 H VAL C 90 14.919 -1.987 -5.302 1.00 0.00 H ATOM 708 N TYR C 91 17.867 -1.110 -7.850 1.00 16.54 N ATOM 709 CA TYR C 91 18.573 -1.767 -8.947 1.00 17.10 C ATOM 710 C TYR C 91 20.073 -1.579 -8.758 1.00 17.27 C ATOM 711 O TYR C 91 20.516 -0.583 -8.191 1.00 19.41 O ATOM 712 CB TYR C 91 18.094 -1.187 -10.303 1.00 17.24 C ATOM 713 CG TYR C 91 16.715 -1.695 -10.683 1.00 17.38 C ATOM 714 CD1 TYR C 91 15.583 -1.139 -10.147 1.00 16.98 C ATOM 715 CD2 TYR C 91 16.567 -2.751 -11.543 1.00 41.79 C ATOM 716 CE1 TYR C 91 14.359 -1.614 -10.435 1.00 17.21 C ATOM 717 CE2 TYR C 91 15.329 -3.234 -11.858 1.00 38.90 C ATOM 718 CZ TYR C 91 14.224 -2.659 -11.294 1.00 17.88 C ATOM 719 OH TYR C 91 12.985 -3.160 -11.583 1.00 19.24 O ATOM 720 HH TYR C 91 12.298 -2.637 -11.099 1.00 0.00 H ATOM 721 H TYR C 91 17.796 -0.073 -7.870 1.00 0.00 H ATOM 722 N GLN C 92 20.858 -2.558 -9.190 1.00 21.34 N ATOM 723 CA GLN C 92 22.290 -2.341 -9.343 1.00 23.57 C ATOM 724 C GLN C 92 22.503 -1.208 -10.325 1.00 20.64 C ATOM 725 O GLN C 92 21.813 -1.116 -11.334 1.00 19.70 O ATOM 726 CB GLN C 92 22.996 -3.573 -9.883 1.00 30.74 C ATOM 727 CG GLN C 92 23.466 -4.614 -8.841 1.00 32.45 C ATOM 728 CD GLN C 92 24.476 -4.108 -7.844 1.00 19.33 C ATOM 729 OE1 GLN C 92 25.501 -3.550 -8.191 1.00 24.39 O ATOM 730 NE2 GLN C 92 24.187 -4.324 -6.573 1.00 65.55 N ATOM 731 HE22 GLN C 92 23.301 -4.804 -6.315 1.00 0.00 H ATOM 732 HE21 GLN C 92 24.845 -4.014 -5.830 1.00 0.00 H ATOM 733 H GLN C 92 20.448 -3.486 -9.421 1.00 0.00 H ATOM 734 N GLU C 93 23.465 -0.347 -10.050 1.00 20.17 N ATOM 735 CA GLU C 93 23.775 0.741 -10.969 1.00 25.58 C ATOM 736 C GLU C 93 24.221 0.189 -12.319 1.00 32.14 C ATOM 737 O GLU C 93 24.767 -0.902 -12.416 1.00 19.76 O ATOM 738 CB GLU C 93 24.832 1.654 -10.352 1.00 18.36 C ATOM 739 CG GLU C 93 25.216 2.809 -11.188 1.00 20.00 C ATOM 740 CD GLU C 93 24.063 3.688 -11.561 1.00 24.10 C ATOM 741 OE1 GLU C 93 23.349 3.297 -12.499 1.00 36.12 O ATOM 742 OE2 GLU C 93 23.886 4.771 -10.948 1.00 31.05 O ATOM 743 H GLU C 93 24.007 -0.446 -9.168 1.00 0.00 H ATOM 744 N GLN C 94 24.007 0.971 -13.370 1.00 28.40 N ATOM 745 CA GLN C 94 24.308 0.503 -14.703 1.00 22.78 C ATOM 746 C GLN C 94 25.784 0.641 -15.001 1.00 25.86 C ATOM 747 O GLN C 94 26.497 1.362 -14.316 1.00 22.64 O ATOM 748 CB GLN C 94 23.541 1.273 -15.766 1.00 25.83 C ATOM 749 CG GLN C 94 22.090 0.915 -15.819 1.00 27.09 C ATOM 750 CD GLN C 94 21.420 1.580 -16.946 1.00 35.09 C ATOM 751 OE1 GLN C 94 22.082 2.071 -17.856 1.00 50.48 O ATOM 752 NE2 GLN C 94 20.088 1.603 -16.924 1.00 34.52 N ATOM 753 HE22 GLN C 94 19.574 1.173 -16.129 1.00 0.00 H ATOM 754 HE21 GLN C 94 19.563 2.051 -17.702 1.00 0.00 H ATOM 755 H GLN C 94 23.620 1.927 -13.233 1.00 0.00 H ATOM 756 N THR C 95 26.239 -0.093 -16.025 1.00 25.91 N ATOM 757 CA THR C 95 27.627 -0.034 -16.476 1.00 31.48 C ATOM 758 C THR C 95 27.857 1.317 -17.155 1.00 27.84 C ATOM 759 O THR C 95 27.183 1.640 -18.128 1.00 22.98 O ATOM 760 CB THR C 95 27.916 -1.164 -17.466 1.00 28.77 C ATOM 761 OG1 THR C 95 27.313 -2.372 -17.025 1.00 23.87 O ATOM 762 CG2 THR C 95 29.381 -1.398 -17.614 1.00 35.74 C ATOM 763 HG1 THR C 95 27.508 -3.093 -17.675 1.00 0.00 H ATOM 764 H THR C 95 25.579 -0.729 -16.517 1.00 0.00 H ATOM 765 N GLY C 96 28.793 2.114 -16.657 1.00 25.25 N ATOM 766 CA GLY C 96 28.894 3.486 -17.138 1.00 27.80 C ATOM 767 C GLY C 96 30.125 3.871 -17.935 1.00 49.51 C ATOM 768 O GLY C 96 31.192 4.118 -17.367 1.00 84.68 O ATOM 769 H GLY C 96 29.449 1.763 -15.930 1.00 0.00 H ATOM 770 N GLY C 97 29.989 3.999 -19.243 1.00 57.16 N ATOM 771 CA GLY C 97 31.117 4.385 -20.062 1.00 67.25 C ATOM 772 C GLY C 97 31.822 5.619 -19.552 1.00 59.01 C ATOM 773 O GLY C 97 32.986 5.835 -19.869 1.00 39.88 O ATOM 774 H GLY C 97 29.065 3.821 -19.686 1.00 0.00 H TER 775 GLY C 97 HETATM 776 O HOH 1 1.430 20.849 1.137 1.00 55.55 O HETATM 777 O HOH 2 22.619 5.309 -4.244 1.00 34.75 O HETATM 778 O HOH 3 33.593 7.414 -18.650 1.00 61.11 O HETATM 779 O HOH 4 14.159 18.419 -2.566 1.00 64.50 O HETATM 780 O HOH 5 3.964 2.067 -4.559 1.00 32.77 O HETATM 781 O HOH 6 18.404 18.556 1.035 1.00 48.99 O HETATM 782 O HOH 7 2.020 9.699 10.245 1.00 39.81 O HETATM 783 O HOH 8 24.648 -3.734 -4.507 1.00 38.52 O HETATM 784 O HOH 9 2.599 4.142 -7.556 1.00 22.62 O HETATM 785 O HOH 10 7.180 3.753 15.643 1.00 62.45 O HETATM 786 O HOH 11 9.519 11.705 15.528 1.00 28.10 O HETATM 787 O HOH 12 25.401 11.808 -1.852 1.00 32.23 O HETATM 788 O HOH 13 19.830 -2.065 -13.141 1.00 23.46 O HETATM 789 O HOH 14 5.698 -6.612 0.528 1.00 38.82 O HETATM 790 O HOH 15 31.753 3.277 -4.649 1.00 34.02 O HETATM 791 O HOH 16 10.751 1.806 -9.501 1.00 16.70 O HETATM 792 O HOH 17 25.436 3.794 3.206 1.00 31.98 O HETATM 793 O HOH 18 16.778 11.877 -10.101 1.00 30.11 O HETATM 794 O HOH 19 20.705 -6.910 5.411 1.00 26.64 O HETATM 795 O HOH 20 8.656 2.278 -7.508 1.00 15.70 O HETATM 796 O HOH 21 19.800 -2.374 12.754 1.00 14.33 O HETATM 797 O HOH 22 24.120 5.897 -7.429 1.00 25.21 O HETATM 798 O HOH 23 15.574 -4.935 0.496 1.00 31.97 O HETATM 799 O HOH 24 1.211 17.086 10.964 1.00 37.20 O HETATM 800 O HOH 25 1.729 5.241 -5.451 1.00 23.83 O HETATM 801 O HOH 26 7.857 0.056 -8.741 1.00 19.65 O HETATM 802 O HOH 27 26.650 6.037 -9.181 1.00 55.54 O HETATM 803 O HOH 28 21.438 12.693 -5.593 1.00 17.76 O HETATM 804 O HOH 29 14.799 -4.412 -6.779 1.00 16.07 O HETATM 805 O HOH 30 23.190 -4.867 -3.920 1.00 46.30 O HETATM 806 O HOH 31 5.828 14.262 -8.228 1.00 25.64 O HETATM 807 O HOH 32 -1.537 4.749 0.967 1.00 47.86 O HETATM 808 O HOH 33 19.178 6.727 -6.512 1.00 13.39 O HETATM 809 O HOH 34 1.408 10.400 1.402 1.00 62.19 O HETATM 810 O HOH 35 9.005 18.203 1.150 1.00 25.20 O HETATM 811 O HOH 36 17.234 21.244 2.429 1.00 42.13 O HETATM 812 O HOH 37 14.375 17.539 -7.712 1.00 26.55 O HETATM 813 O HOH 38 10.311 -6.115 5.486 1.00 20.26 O HETATM 814 O HOH 39 28.361 4.544 0.876 1.00 32.86 O HETATM 815 O HOH 40 14.035 20.097 -4.708 1.00 52.55 O HETATM 816 O HOH 41 19.843 -4.278 -3.176 1.00 36.48 O HETATM 817 O HOH 42 13.001 -9.918 2.959 1.00 15.82 O HETATM 818 O HOH 43 1.334 15.270 9.053 1.00 64.24 O HETATM 819 O HOH 44 14.846 9.242 -13.664 1.00 25.57 O HETATM 820 O HOH 45 -0.437 5.245 -4.707 1.00 77.46 O HETATM 821 O HOH 46 22.791 -8.254 2.093 1.00 30.74 O HETATM 822 O HOH 47 11.597 11.958 16.424 1.00 35.86 O HETATM 823 O HOH 48 8.481 -7.638 4.474 1.00 33.00 O HETATM 824 O HOH 49 -2.420 3.362 2.831 1.00 46.54 O HETATM 825 O HOH 50 4.999 2.100 -7.365 1.00 33.93 O HETATM 826 O HOH 51 8.040 13.036 -10.155 1.00 26.50 O HETATM 827 O HOH 52 0.178 7.262 -6.317 1.00 23.19 O HETATM 828 O HOH 53 17.794 11.894 -12.477 1.00 27.13 O HETATM 829 O HOH 54 22.274 -3.124 -15.662 1.00 34.82 O HETATM 830 O HOH 55 3.645 -11.103 0.203 1.00 51.06 O HETATM 831 O HOH 56 16.341 8.116 14.698 1.00 51.15 O HETATM 832 O HOH 57 16.084 14.113 8.693 1.00 52.55 O HETATM 833 O HOH 58 11.504 -1.808 14.041 1.00 26.01 O HETATM 834 O HOH 59 12.743 -8.632 5.786 1.00 23.42 O HETATM 835 O HOH 60 17.653 8.120 11.220 1.00 74.24 O HETATM 836 O HOH 61 18.344 7.607 15.088 1.00 32.14 O HETATM 837 O HOH 62 12.309 -17.727 5.288 1.00 46.49 O HETATM 838 O HOH 63 14.769 14.955 12.265 1.00 35.54 O HETATM 839 O HOH 64 18.170 8.818 17.136 1.00 71.93 O HETATM 840 O HOH 65 17.488 15.862 12.280 1.00 33.43 O HETATM 841 N ALA A 66 11.927 -15.708 7.413 1.00 0.24 N HETATM 842 CA ALA A 66 12.138 -14.362 6.855 1.00 0.06 C HETATM 843 C ALA A 66 11.335 -13.298 7.565 1.00 0.23 C HETATM 844 O ALA A 66 10.177 -13.183 7.299 1.00 -0.39 O HETATM 845 N ALA A 66 11.974 -12.504 8.422 1.00 -0.26 N HETATM 846 CA ALA A 66 11.276 -11.601 9.321 1.00 0.13 C HETATM 847 C ALA A 66 11.175 -10.156 8.808 1.00 0.20 C HETATM 848 O ALA A 66 12.016 -9.665 8.065 1.00 -0.39 O HETATM 849 N ALA A 66 10.102 -9.486 9.207 1.00 -0.26 N HETATM 850 CA ALA A 66 9.860 -8.117 8.790 1.00 0.13 C HETATM 851 C ALA A 66 10.912 -7.210 9.394 1.00 0.20 C HETATM 852 O ALA A 66 11.388 -7.406 10.522 1.00 -0.39 O HETATM 853 N ALA A 66 11.272 -6.206 8.615 1.00 -0.26 N HETATM 854 CA ALA A 66 12.300 -5.248 8.982 1.00 0.13 C HETATM 855 C ALA A 66 11.730 -3.859 8.797 1.00 0.20 C HETATM 856 O ALA A 66 11.338 -3.503 7.681 1.00 -0.39 O HETATM 857 N ALA A 66 11.673 -3.107 9.901 1.00 -0.26 N HETATM 858 CA ALA A 66 11.156 -1.743 9.939 1.00 0.13 C HETATM 859 C ALA A 66 12.183 -0.847 10.624 1.00 0.20 C HETATM 860 O ALA A 66 12.521 -1.051 11.792 1.00 -0.39 O HETATM 861 N ALA A 66 12.631 0.171 9.911 1.00 -0.26 N HETATM 862 CA ALA A 66 13.683 1.074 10.354 1.00 0.13 C HETATM 863 C ALA A 66 13.161 2.502 10.304 1.00 0.20 C HETATM 864 O ALA A 66 12.667 2.945 9.264 1.00 -0.39 O HETATM 865 N ALA A 66 13.296 3.221 11.417 1.00 -0.26 N HETATM 866 CA ALA A 66 12.713 4.546 11.598 1.00 0.13 C HETATM 867 C ALA A 66 13.762 5.630 11.403 1.00 0.20 C HETATM 868 O ALA A 66 14.692 5.747 12.208 1.00 -0.39 O HETATM 869 N ALA A 66 13.550 6.449 10.407 1.00 -0.26 N HETATM 870 CA ALA A 66 14.362 7.514 10.097 1.00 0.13 C HETATM 871 C ALA A 66 13.746 8.879 10.594 1.00 0.20 C HETATM 872 O ALA A 66 12.668 9.036 10.664 1.00 -0.39 O HETATM 873 N ALA A 66 14.624 9.761 10.953 1.00 -0.26 N HETATM 874 CA ALA A 66 14.487 11.135 11.364 1.00 0.14 C HETATM 875 CB ALA A 66 15.380 11.491 12.499 1.00 0.12 C HETATM 876 OG ALA A 66 16.776 11.639 12.249 1.00 -0.27 O HETATM 877 P ALA A 66 17.812 11.233 13.345 1.00 0.20 P HETATM 878 O1P ALA A 66 19.103 11.499 12.726 1.00 -0.55 O HETATM 879 O2P ALA A 66 17.355 9.818 13.427 1.00 -0.55 O HETATM 880 O3P ALA A 66 17.427 12.089 14.458 1.00 -0.55 O HETATM 881 H77 ALA A 66 15.268 10.703 13.259 1.00 0.07 H HETATM 882 H78 ALA A 66 15.021 12.447 12.907 1.00 0.07 H HETATM 883 C ALA A 66 15.058 11.799 10.183 1.00 0.13 C HETATM 884 O ALA A 66 16.209 11.826 9.843 1.00 -0.37 O HETATM 885 H79 ALA A 66 14.355 12.328 9.542 1.00 0.14 H HETATM 886 H76 ALA A 66 13.443 11.411 11.574 1.00 0.08 H HETATM 887 H75 ALA A 66 15.567 9.428 10.943 1.00 0.19 H HETATM 888 CB ALA A 66 14.679 7.517 8.605 1.00 -0.01 C HETATM 889 CG ALA A 66 15.294 6.284 7.946 1.00 -0.04 C HETATM 890 CD1 ALA A 66 15.388 6.308 6.502 1.00 -0.06 C HETATM 891 H69 ALA A 66 15.844 5.372 6.149 1.00 0.02 H HETATM 892 H70 ALA A 66 16.010 7.160 6.189 1.00 0.02 H HETATM 893 H71 ALA A 66 14.381 6.411 6.071 1.00 0.02 H HETATM 894 CD2 ALA A 66 16.608 5.882 8.499 1.00 -0.06 C HETATM 895 H72 ALA A 66 16.552 5.859 9.597 1.00 0.02 H HETATM 896 H73 ALA A 66 17.375 6.606 8.186 1.00 0.02 H HETATM 897 H74 ALA A 66 16.873 4.882 8.125 1.00 0.02 H HETATM 898 H68 ALA A 66 14.599 5.466 8.186 1.00 0.03 H HETATM 899 H66 ALA A 66 15.377 8.349 8.432 1.00 0.03 H HETATM 900 H67 ALA A 66 13.733 7.717 8.081 1.00 0.03 H HETATM 901 H65 ALA A 66 15.312 7.375 10.634 1.00 0.08 H HETATM 902 H64 ALA A 66 12.746 6.291 9.834 1.00 0.19 H HETATM 903 CB ALA A 66 12.088 4.698 12.991 1.00 -0.01 C HETATM 904 CG1 ALA A 66 11.757 6.144 13.169 1.00 -0.06 C HETATM 905 H58 ALA A 66 11.305 6.297 14.160 1.00 0.02 H HETATM 906 H59 ALA A 66 11.047 6.456 12.389 1.00 0.02 H HETATM 907 H60 ALA A 66 12.676 6.743 13.089 1.00 0.02 H HETATM 908 CG2 ALA A 66 10.895 3.863 13.139 1.00 -0.06 C HETATM 909 H61 ALA A 66 11.168 2.806 13.003 1.00 0.02 H HETATM 910 H62 ALA A 66 10.151 4.149 12.382 1.00 0.02 H HETATM 911 H63 ALA A 66 10.470 4.006 14.143 1.00 0.02 H HETATM 912 H57 ALA A 66 12.822 4.396 13.753 1.00 0.03 H HETATM 913 H56 ALA A 66 11.924 4.680 10.844 1.00 0.08 H HETATM 914 H55 ALA A 66 13.826 2.831 12.170 1.00 0.19 H HETATM 915 CB ALA A 66 14.939 0.896 9.485 1.00 -0.00 C HETATM 916 CG1 ALA A 66 15.661 -0.376 9.855 1.00 -0.05 C HETATM 917 CD1 ALA A 66 16.295 -0.979 8.718 1.00 -0.06 C HETATM 918 H52 ALA A 66 16.808 -1.901 9.030 1.00 0.02 H HETATM 919 H53 ALA A 66 17.028 -0.278 8.292 1.00 0.02 H HETATM 920 H54 ALA A 66 15.535 -1.221 7.960 1.00 0.02 H HETATM 921 H47 ALA A 66 14.936 -1.087 10.277 1.00 0.03 H HETATM 922 H48 ALA A 66 16.428 -0.144 10.609 1.00 0.03 H HETATM 923 CG2 ALA A 66 15.818 2.101 9.642 1.00 -0.06 C HETATM 924 H49 ALA A 66 15.255 3.004 9.363 1.00 0.02 H HETATM 925 H50 ALA A 66 16.698 2.001 8.989 1.00 0.02 H HETATM 926 H51 ALA A 66 16.146 2.182 10.689 1.00 0.02 H HETATM 927 H46 ALA A 66 14.632 0.823 8.431 1.00 0.03 H HETATM 928 H45 ALA A 66 13.945 0.832 11.395 1.00 0.08 H HETATM 929 H44 ALA A 66 12.223 0.331 9.012 1.00 0.19 H HETATM 930 CB ALA A 66 9.806 -1.650 10.665 1.00 -0.00 C HETATM 931 CG1 ALA A 66 8.751 -2.557 10.016 1.00 -0.05 C HETATM 932 CD1 ALA A 66 7.386 -2.606 10.732 1.00 -0.06 C HETATM 933 H41 ALA A 66 6.710 -3.281 10.187 1.00 0.02 H HETATM 934 H42 ALA A 66 6.951 -1.596 10.761 1.00 0.02 H HETATM 935 H43 ALA A 66 7.524 -2.976 11.759 1.00 0.02 H HETATM 936 H36 ALA A 66 9.155 -3.580 9.987 1.00 0.03 H HETATM 937 H37 ALA A 66 8.582 -2.200 8.989 1.00 0.03 H HETATM 938 CG2 ALA A 66 9.299 -0.205 10.637 1.00 -0.06 C HETATM 939 H38 ALA A 66 10.047 0.455 11.100 1.00 0.02 H HETATM 940 H39 ALA A 66 8.354 -0.137 11.196 1.00 0.02 H HETATM 941 H40 ALA A 66 9.132 0.105 9.595 1.00 0.02 H HETATM 942 H35 ALA A 66 9.948 -1.963 11.710 1.00 0.03 H HETATM 943 H34 ALA A 66 11.014 -1.396 8.905 1.00 0.08 H HETATM 944 H33 ALA A 66 12.006 -3.505 10.756 1.00 0.19 H HETATM 945 CB ALA A 66 13.555 -5.445 8.135 1.00 -0.01 C HETATM 946 CG ALA A 66 14.262 -6.726 8.441 1.00 -0.02 C HETATM 947 CD ALA A 66 15.405 -6.892 7.502 1.00 0.06 C HETATM 948 NE ALA A 66 14.998 -7.360 6.191 1.00 -0.27 N HETATM 949 CZ ALA A 66 15.832 -7.526 5.182 1.00 0.29 C HETATM 950 NH1 ALA A 66 17.096 -7.242 5.310 1.00 -0.28 N HETATM 951 H29 ALA A 66 17.737 -7.376 4.515 1.00 0.26 H HETATM 952 H30 ALA A 66 17.455 -6.883 6.206 1.00 0.26 H HETATM 953 NH2 ALA A 66 15.382 -7.958 4.037 1.00 -0.28 N HETATM 954 H31 ALA A 66 14.383 -8.185 3.929 1.00 0.26 H HETATM 955 H32 ALA A 66 16.025 -8.073 3.241 1.00 0.26 H HETATM 956 H28 ALA A 66 14.002 -7.575 6.039 1.00 0.26 H HETATM 957 H26 ALA A 66 16.108 -7.620 7.931 1.00 0.07 H HETATM 958 H27 ALA A 66 15.908 -5.920 7.387 1.00 0.07 H HETATM 959 H24 ALA A 66 13.564 -7.568 8.323 1.00 0.03 H HETATM 960 H25 ALA A 66 14.636 -6.702 9.475 1.00 0.03 H HETATM 961 H22 ALA A 66 14.243 -4.609 8.326 1.00 0.03 H HETATM 962 H23 ALA A 66 13.267 -5.447 7.074 1.00 0.03 H HETATM 963 H21 ALA A 66 12.566 -5.391 10.040 1.00 0.08 H HETATM 964 H20 ALA A 66 10.816 -6.101 7.731 1.00 0.19 H HETATM 965 CB ALA A 66 8.454 -7.674 9.204 1.00 -0.00 C HETATM 966 CG ALA A 66 7.946 -6.327 8.606 1.00 0.00 C HETATM 967 CD ALA A 66 6.516 -5.969 9.043 1.00 0.04 C HETATM 968 OE1 ALA A 66 6.078 -6.365 10.128 1.00 -0.57 O HETATM 969 OE2 ALA A 66 5.817 -5.286 8.304 1.00 -0.57 O HETATM 970 H18 ALA A 66 7.967 -6.402 7.509 1.00 0.04 H HETATM 971 H19 ALA A 66 8.622 -5.523 8.932 1.00 0.04 H HETATM 972 H16 ALA A 66 8.443 -7.579 10.300 1.00 0.03 H HETATM 973 H17 ALA A 66 7.751 -8.462 8.897 1.00 0.03 H HETATM 974 H15 ALA A 66 9.935 -8.062 7.694 1.00 0.08 H HETATM 975 H14 ALA A 66 9.443 -9.935 9.810 1.00 0.19 H HETATM 976 CB ALA A 66 11.955 -11.605 10.698 1.00 -0.00 C HETATM 977 CG ALA A 66 11.941 -12.938 11.401 1.00 0.00 C HETATM 978 CD ALA A 66 12.156 -12.797 12.872 1.00 0.04 C HETATM 979 OE1 ALA A 66 12.037 -11.696 13.396 1.00 -0.57 O HETATM 980 OE2 ALA A 66 12.448 -13.801 13.521 1.00 -0.57 O HETATM 981 H12 ALA A 66 12.741 -13.568 10.984 1.00 0.04 H HETATM 982 H13 ALA A 66 10.967 -13.420 11.229 1.00 0.04 H HETATM 983 H10 ALA A 66 11.438 -10.874 11.338 1.00 0.03 H HETATM 984 H11 ALA A 66 13.003 -11.299 10.565 1.00 0.03 H HETATM 985 H9 ALA A 66 10.251 -11.982 9.439 1.00 0.08 H HETATM 986 H8 ALA A 66 12.973 -12.530 8.448 1.00 0.19 H HETATM 987 CB ALA A 66 11.770 -14.350 5.397 1.00 -0.00 C HETATM 988 H5 ALA A 66 11.930 -13.342 4.987 1.00 0.03 H HETATM 989 H6 ALA A 66 10.712 -14.628 5.284 1.00 0.03 H HETATM 990 H7 ALA A 66 12.399 -15.071 4.854 1.00 0.03 H HETATM 991 H4 ALA A 66 13.205 -14.114 6.956 1.00 0.11 H HETATM 992 H1 ALA A 66 12.485 -16.375 6.903 1.00 0.20 H HETATM 993 H2 ALA A 66 10.953 -15.955 7.335 1.00 0.20 H HETATM 994 H3 ALA A 66 12.198 -15.716 8.384 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 178 179 185 186 187 CONECT 185 178 CONECT 186 178 CONECT 187 178 CONECT 841 842 992 993 994 CONECT 842 841 843 987 991 CONECT 843 842 844 845 CONECT 844 843 CONECT 845 843 846 986 CONECT 846 845 847 976 985 CONECT 847 846 848 849 CONECT 848 847 CONECT 849 847 850 975 CONECT 850 849 851 965 974 CONECT 851 850 852 853 CONECT 852 851 CONECT 853 851 854 964 CONECT 854 853 855 945 963 CONECT 855 854 856 857 CONECT 856 855 CONECT 857 855 858 944 CONECT 858 857 859 930 943 CONECT 859 858 860 861 CONECT 860 859 CONECT 861 859 862 929 CONECT 862 861 863 915 928 CONECT 863 862 864 865 CONECT 864 863 CONECT 865 863 866 914 CONECT 866 865 867 903 913 CONECT 867 866 868 869 CONECT 868 867 CONECT 869 867 870 902 CONECT 870 869 871 888 901 CONECT 871 870 872 873 CONECT 872 871 CONECT 873 871 874 887 CONECT 874 873 875 883 886 CONECT 875 874 876 881 882 CONECT 876 875 877 CONECT 877 876 878 879 880 CONECT 878 877 CONECT 879 877 CONECT 880 877 CONECT 881 875 CONECT 882 875 CONECT 883 874 884 885 CONECT 884 883 CONECT 885 883 CONECT 886 874 CONECT 887 873 CONECT 888 870 889 899 900 CONECT 889 888 890 894 898 CONECT 890 889 891 892 893 CONECT 891 890 CONECT 892 890 CONECT 893 890 CONECT 894 889 895 896 897 CONECT 895 894 CONECT 896 894 CONECT 897 894 CONECT 898 889 CONECT 899 888 CONECT 900 888 CONECT 901 870 CONECT 902 869 CONECT 903 866 904 908 912 CONECT 904 903 905 906 907 CONECT 905 904 CONECT 906 904 CONECT 907 904 CONECT 908 903 909 910 911 CONECT 909 908 CONECT 910 908 CONECT 911 908 CONECT 912 903 CONECT 913 866 CONECT 914 865 CONECT 915 862 916 923 927 CONECT 916 915 917 921 922 CONECT 917 916 918 919 920 CONECT 918 917 CONECT 919 917 CONECT 920 917 CONECT 921 916 CONECT 922 916 CONECT 923 915 924 925 926 CONECT 924 923 CONECT 925 923 CONECT 926 923 CONECT 927 915 CONECT 928 862 CONECT 929 861 CONECT 930 858 931 938 942 CONECT 931 930 932 936 937 CONECT 932 931 933 934 935 CONECT 933 932 CONECT 934 932 CONECT 935 932 CONECT 936 931 CONECT 937 931 CONECT 938 930 939 940 941 CONECT 939 938 CONECT 940 938 CONECT 941 938 CONECT 942 930 CONECT 943 858 CONECT 944 857 CONECT 945 854 946 961 962 CONECT 946 945 947 959 960 CONECT 947 946 948 957 958 CONECT 948 947 949 956 CONECT 949 948 950 953 CONECT 950 949 951 952 CONECT 951 950 CONECT 952 950 CONECT 953 949 954 955 CONECT 954 953 CONECT 955 953 CONECT 956 948 CONECT 957 947 CONECT 958 947 CONECT 959 946 CONECT 960 946 CONECT 961 945 CONECT 962 945 CONECT 963 854 CONECT 964 853 CONECT 965 850 966 972 973 CONECT 966 965 967 970 971 CONECT 967 966 968 969 CONECT 968 967 CONECT 969 967 CONECT 970 966 CONECT 971 966 CONECT 972 965 CONECT 973 965 CONECT 974 850 CONECT 975 849 CONECT 976 846 977 983 984 CONECT 977 976 978 981 982 CONECT 978 977 979 980 CONECT 979 978 CONECT 980 978 CONECT 981 977 CONECT 982 977 CONECT 983 976 CONECT 984 976 CONECT 985 846 CONECT 986 845 CONECT 987 842 988 989 990 CONECT 988 987 CONECT 989 987 CONECT 990 987 CONECT 991 842 CONECT 992 841 CONECT 993 841 CONECT 994 841 MASTER 0 0 0 0 0 0 0 0 992 2 162 7 END
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Related entries of code: 6uyx
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6uyy
RCSB PDB
PDBbind
17aa, >6UYY_2|Chain... at 100%
6uyz
RCSB PDB
PDBbind
17aa, >6UYZ_2|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1czq
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PDBbind
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PDBbind
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RCSB PDB
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RCSB PDB
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RCSB PDB
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17-mer
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PDBbind
17-mer
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PDBbind
17-mer
2n9x
RCSB PDB
PDBbind
17-mer
2nm1
RCSB PDB
PDBbind
17-mer
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RCSB PDB
PDBbind
17-mer
2r3c
RCSB PDB
PDBbind
17-mer
2r5b
RCSB PDB
PDBbind
17-mer
2r5d
RCSB PDB
PDBbind
17-mer
2uz6
RCSB PDB
PDBbind
17-mer
2w73
RCSB PDB
PDBbind
17-mer
2y6s
RCSB PDB
PDBbind
17-mer
3fdm
RCSB PDB
PDBbind
17-mer
6s07
RCSB PDB
PDBbind
17-mer
3ktr
RCSB PDB
PDBbind
17-mer
3o0e
RCSB PDB
PDBbind
17-mer
3qn7
RCSB PDB
PDBbind
17-mer
3t7g
RCSB PDB
PDBbind
17-mer
3u3f
RCSB PDB
PDBbind
17-mer
3uxg
RCSB PDB
PDBbind
17-mer
3uzd
RCSB PDB
PDBbind
17-mer
3v30
RCSB PDB
PDBbind
17-mer
3wp1
RCSB PDB
PDBbind
17-mer
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RCSB PDB
PDBbind
17-mer
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RCSB PDB
PDBbind
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4djs
RCSB PDB
PDBbind
17-mer
4esg
RCSB PDB
PDBbind
17-mer
4fmq
RCSB PDB
PDBbind
17-mer
4gy5
RCSB PDB
PDBbind
17-mer
4i31
RCSB PDB
PDBbind
17-mer
4i32
RCSB PDB
PDBbind
17-mer
4i33
RCSB PDB
PDBbind
17-mer
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RCSB PDB
PDBbind
17-mer
4kmd
RCSB PDB
PDBbind
17-mer
4lg6
RCSB PDB
PDBbind
17-mer
4ngh
RCSB PDB
PDBbind
17-mer
4nhc
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PDBbind
17-mer
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RCSB PDB
PDBbind
17-mer
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RCSB PDB
PDBbind
17-mer
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RCSB PDB
PDBbind
17-mer
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RCSB PDB
PDBbind
17-mer
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RCSB PDB
PDBbind
17-mer
4uu5
RCSB PDB
PDBbind
17-mer
4wym
RCSB PDB
PDBbind
17-mer
4z88
RCSB PDB
PDBbind
17-mer
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RCSB PDB
PDBbind
17-mer
4z8a
RCSB PDB
PDBbind
17-mer
5ajo
RCSB PDB
PDBbind
17-mer
5ajp
RCSB PDB
PDBbind
17-mer
5fos
RCSB PDB
PDBbind
17-mer
5hog
RCSB PDB
PDBbind
17-mer
5i22
RCSB PDB
PDBbind
17-mer
5ixt
RCSB PDB
PDBbind
17-mer
5j3v
RCSB PDB
PDBbind
17-mer
5twh
RCSB PDB
PDBbind
17-mer
5vlp
RCSB PDB
PDBbind
17-mer
5vzu
RCSB PDB
PDBbind
17-mer
5xgl
RCSB PDB
PDBbind
17-mer
5xxf
RCSB PDB
PDBbind
17-mer
5yco
RCSB PDB
PDBbind
17-mer
5znr
RCSB PDB
PDBbind
17-mer
6a6w
RCSB PDB
PDBbind
17-mer
6e49
RCSB PDB
PDBbind
17-mer
6f6d
RCSB PDB
PDBbind
17-mer
6rjp
RCSB PDB
PDBbind
17-mer
6qtm
RCSB PDB
PDBbind
17-mer
6q36
RCSB PDB
PDBbind
17-mer
6njz
RCSB PDB
PDBbind
17-mer
6kmj
RCSB PDB
PDBbind
17-mer
6dat
RCSB PDB
PDBbind
17-mer
6da1
RCSB PDB
PDBbind
17-mer
5zk5
RCSB PDB
PDBbind
17-mer
5oy3
RCSB PDB
PDBbind
17-mer
6uyy
RCSB PDB
PDBbind
17-mer
6uyz
RCSB PDB
PDBbind
17-mer
Entry Information
PDB ID
6uyx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
K37-acetylated SUMO1
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=1.0uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) Structure Vol. 28: pp. 157-168.e5
Ligand Properties
Formula
C
4
5
H
8
4
N
1
2
O
1
7
P
Molecular Weight
1096.190
Exact Mass
1095.580
No. of atoms
159
No. of bonds
158
Polar Surface Area
501.63
LOGP Value
0.30 (
Computed with XLOGP3
)
-1.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 42
No. of Nitrogen and Oxygen Atoms: 29
No. of Rings: 0
Canonical SMILES
O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC(=O)O)CCC(=O)O)CCC[NH+]=C(N)N)CC(C)C)COP(O)(O)O
InChI String
InChI=1S/C45H83N12O17P/c1-10-24(7)35(44(70)57-36(25(8)11-2)43(69)55-34(23(5)6)42(68)54-31(19-22(3)4)41(67)50-27(20-58)21-74-75(71,72)73)56-40(66)28(13-12-18-49-45(47)48)52-39(65)30(15-17-33(61)62)53-38(64)29(14-16-32(59)60)51-37(63)26(9)46/h20,22-31,34-36,71-73,75H,10-19,21,46H2,1-9H3,(H,50,67)(H,51,63)(H,52,65)(H,53,64)(H,54,68)(H,55,69)(H,56,66)(H,57,70)(H,59,60)(H,61,62)(H4,47,48,49)/p+2/t24-,25-,26-,27+,28-,29-,30-,31-,34-,35-,36-/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):
P63165
Entrez Gene ID
NCBI Entrez Gene ID:
7341
ASD
Information of known allosteric effects of PDB entries
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