Browse entries in the PDBbind-CN Database
HEADER 6CV8_COMPLEX COMPND 6CV8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 SER GLU ALA VAL ILE LYS VAL ILE SER SER ALA CYS LYS SEQRES 2 A 87 THR TYR CYS GLY LYS THR SER PRO SER LYS LYS GLU ILE SEQRES 3 A 87 GLY ALA MET LEU SER LEU LEU GLN LYS GLU GLY LEU LEU SEQRES 4 A 87 MET SER PRO SER ASP LEU TYR SER PRO GLY SER TRP ASP SEQRES 5 A 87 PRO ILE THR ALA ALA LEU SER GLN ARG ALA MET ILE LEU SEQRES 6 A 87 GLY LYS SER GLY GLU LEU LYS THR TRP GLY LEU VAL LEU SEQRES 7 A 87 GLY ALA LEU LYS ALA ALA ARG GLU GLU HET I A 3P 33 ATOM 1 N SER A 1 2.869 3.452 10.438 1.00 0.76 N ATOM 2 CA SER A 1 2.432 4.601 11.224 1.00 0.88 C ATOM 3 C SER A 1 3.475 5.714 11.185 1.00 0.88 C ATOM 4 O SER A 1 3.157 6.885 11.392 1.00 0.98 O ATOM 5 CB SER A 1 2.168 4.184 12.672 1.00 0.96 C ATOM 6 OG SER A 1 0.792 3.926 12.885 1.00 1.05 O ATOM 7 HG SER A 1 0.650 3.659 13.828 1.00 0.00 H ATOM 8 HN3 SER A 1 3.763 3.088 10.826 1.00 0.00 H ATOM 9 HN2 SER A 1 3.012 3.743 9.450 1.00 0.00 H ATOM 10 HN1 SER A 1 2.143 2.708 10.480 1.00 0.00 H ATOM 11 N GLU A 2 4.722 5.339 10.916 1.00 0.79 N ATOM 12 CA GLU A 2 5.811 6.306 10.851 1.00 0.83 C ATOM 13 C GLU A 2 7.103 5.638 10.387 1.00 0.76 C ATOM 14 O GLU A 2 7.897 6.235 9.661 1.00 0.77 O ATOM 15 CB GLU A 2 6.024 6.960 12.217 1.00 0.96 C ATOM 16 CG GLU A 2 6.642 6.031 13.248 1.00 0.99 C ATOM 17 CD GLU A 2 6.867 6.709 14.586 1.00 1.14 C ATOM 18 OE1 GLU A 2 7.255 7.897 14.590 1.00 1.22 O ATOM 19 OE2 GLU A 2 6.654 6.053 15.627 1.00 1.19 O ATOM 20 H GLU A 2 4.925 4.333 10.748 1.00 0.00 H ATOM 21 N ALA A 3 7.307 4.395 10.813 1.00 0.72 N ATOM 22 CA ALA A 3 8.500 3.647 10.441 1.00 0.70 C ATOM 23 C ALA A 3 8.233 2.751 9.237 1.00 0.57 C ATOM 24 O ALA A 3 9.003 2.740 8.276 1.00 0.56 O ATOM 25 CB ALA A 3 8.991 2.818 11.618 1.00 0.79 C ATOM 26 H ALA A 3 6.597 3.946 11.427 1.00 0.00 H ATOM 27 N VAL A 4 7.142 1.986 9.296 1.00 0.52 N ATOM 28 CA VAL A 4 6.784 1.062 8.215 1.00 0.45 C ATOM 29 C VAL A 4 6.755 1.747 6.851 1.00 0.43 C ATOM 30 O VAL A 4 7.112 1.141 5.841 1.00 0.44 O ATOM 31 CB VAL A 4 5.426 0.386 8.475 1.00 0.49 C ATOM 32 CG1 VAL A 4 5.197 -0.751 7.489 1.00 0.55 C ATOM 33 CG2 VAL A 4 5.353 -0.122 9.907 1.00 0.62 C ATOM 34 H VAL A 4 6.527 2.047 10.133 1.00 0.00 H ATOM 35 N ILE A 5 6.346 3.021 6.844 1.00 0.45 N ATOM 36 CA ILE A 5 6.276 3.815 5.619 1.00 0.48 C ATOM 37 C ILE A 5 7.656 3.933 4.970 1.00 0.46 C ATOM 38 O ILE A 5 7.774 3.947 3.747 1.00 0.57 O ATOM 39 CB ILE A 5 5.723 5.233 5.897 1.00 0.56 C ATOM 40 CG1 ILE A 5 4.392 5.156 6.654 1.00 0.73 C ATOM 41 CG2 ILE A 5 5.541 6.004 4.596 1.00 0.81 C ATOM 42 CD1 ILE A 5 3.901 6.501 7.146 1.00 0.82 C ATOM 43 H ILE A 5 6.068 3.463 7.744 1.00 0.00 H ATOM 44 N LYS A 6 8.696 4.008 5.802 1.00 0.44 N ATOM 45 CA LYS A 6 10.068 4.109 5.318 1.00 0.45 C ATOM 46 C LYS A 6 10.611 2.733 4.944 1.00 0.41 C ATOM 47 O LYS A 6 11.438 2.614 4.038 1.00 0.42 O ATOM 48 CB LYS A 6 10.973 4.756 6.369 1.00 0.52 C ATOM 49 CG LYS A 6 10.689 6.233 6.607 1.00 0.78 C ATOM 50 CD LYS A 6 10.984 7.078 5.373 1.00 1.08 C ATOM 51 CE LYS A 6 12.468 7.081 5.028 1.00 1.30 C ATOM 52 NZ LYS A 6 12.757 7.939 3.847 1.00 1.91 N ATOM 53 HZ1 LYS A 6 12.230 7.583 3.024 1.00 0.00 H ATOM 54 HZ2 LYS A 6 12.466 8.916 4.051 1.00 0.00 H ATOM 55 HZ3 LYS A 6 13.777 7.915 3.644 1.00 0.00 H ATOM 56 H LYS A 6 8.523 3.994 6.827 1.00 0.00 H ATOM 57 N VAL A 7 10.147 1.696 5.650 1.00 0.40 N ATOM 58 CA VAL A 7 10.575 0.332 5.366 1.00 0.41 C ATOM 59 C VAL A 7 10.090 -0.122 3.993 1.00 0.37 C ATOM 60 O VAL A 7 10.688 -1.000 3.372 1.00 0.41 O ATOM 61 CB VAL A 7 10.056 -0.652 6.432 1.00 0.46 C ATOM 62 CG1 VAL A 7 10.682 -2.025 6.239 1.00 0.52 C ATOM 63 CG2 VAL A 7 10.338 -0.120 7.829 1.00 0.53 C ATOM 64 H VAL A 7 9.467 1.867 6.418 1.00 0.00 H ATOM 65 N ILE A 8 9.000 0.484 3.529 1.00 0.34 N ATOM 66 CA ILE A 8 8.433 0.155 2.228 1.00 0.36 C ATOM 67 C ILE A 8 8.840 1.196 1.180 1.00 0.34 C ATOM 68 O ILE A 8 8.818 0.923 -0.018 1.00 0.34 O ATOM 69 CB ILE A 8 6.889 0.055 2.295 1.00 0.43 C ATOM 70 CG1 ILE A 8 6.455 -0.829 3.474 1.00 0.57 C ATOM 71 CG2 ILE A 8 6.324 -0.490 0.989 1.00 0.61 C ATOM 72 CD1 ILE A 8 6.884 -2.278 3.353 1.00 0.78 C ATOM 73 H ILE A 8 8.540 1.213 4.111 1.00 0.00 H ATOM 74 N SER A 9 9.233 2.385 1.644 1.00 0.36 N ATOM 75 CA SER A 9 9.651 3.460 0.745 1.00 0.37 C ATOM 76 C SER A 9 10.979 3.118 0.079 1.00 0.35 C ATOM 77 O SER A 9 11.160 3.344 -1.115 1.00 0.36 O ATOM 78 CB SER A 9 9.773 4.781 1.505 1.00 0.43 C ATOM 79 OG SER A 9 10.004 5.862 0.619 1.00 0.49 O ATOM 80 HG SER A 9 10.079 6.702 1.138 1.00 0.00 H ATOM 81 H SER A 9 9.242 2.551 2.671 1.00 0.00 H ATOM 82 N SER A 10 11.904 2.564 0.860 1.00 0.36 N ATOM 83 CA SER A 10 13.212 2.177 0.343 1.00 0.37 C ATOM 84 C SER A 10 13.099 0.899 -0.485 1.00 0.35 C ATOM 85 O SER A 10 13.933 0.629 -1.350 1.00 0.35 O ATOM 86 CB SER A 10 14.199 1.971 1.496 1.00 0.43 C ATOM 87 OG SER A 10 15.505 1.709 1.012 1.00 0.46 O ATOM 88 HG SER A 10 15.492 0.890 0.457 1.00 0.00 H ATOM 89 H SER A 10 11.688 2.403 1.865 1.00 0.00 H ATOM 90 N ALA A 11 12.052 0.120 -0.212 1.00 0.35 N ATOM 91 CA ALA A 11 11.813 -1.130 -0.926 1.00 0.36 C ATOM 92 C ALA A 11 11.286 -0.865 -2.334 1.00 0.31 C ATOM 93 O ALA A 11 11.792 -1.420 -3.306 1.00 0.33 O ATOM 94 CB ALA A 11 10.832 -2.003 -0.154 1.00 0.40 C ATOM 95 H ALA A 11 11.386 0.412 0.532 1.00 0.00 H ATOM 96 N CYS A 12 10.283 0.012 -2.433 1.00 0.28 N ATOM 97 CA CYS A 12 9.679 0.355 -3.719 1.00 0.26 C ATOM 98 C CYS A 12 10.627 1.188 -4.585 1.00 0.25 C ATOM 99 O CYS A 12 10.390 1.361 -5.776 1.00 0.26 O ATOM 100 CB CYS A 12 8.356 1.098 -3.512 1.00 0.28 C ATOM 101 SG CYS A 12 8.505 2.670 -2.634 1.00 0.26 S ATOM 102 H CYS A 12 9.921 0.464 -1.569 1.00 0.00 H ATOM 103 N LYS A 13 11.699 1.704 -3.986 1.00 0.25 N ATOM 104 CA LYS A 13 12.682 2.490 -4.728 1.00 0.26 C ATOM 105 C LYS A 13 13.621 1.570 -5.504 1.00 0.31 C ATOM 106 O LYS A 13 14.427 2.025 -6.316 1.00 0.35 O ATOM 107 CB LYS A 13 13.497 3.372 -3.777 1.00 0.29 C ATOM 108 CG LYS A 13 12.792 4.653 -3.362 1.00 0.79 C ATOM 109 CD LYS A 13 12.679 5.635 -4.517 1.00 1.28 C ATOM 110 CE LYS A 13 12.073 6.954 -4.067 1.00 1.89 C ATOM 111 NZ LYS A 13 11.790 7.857 -5.216 1.00 2.67 N ATOM 112 HZ1 LYS A 13 12.676 8.061 -5.721 1.00 0.00 H ATOM 113 HZ2 LYS A 13 11.119 7.394 -5.862 1.00 0.00 H ATOM 114 HZ3 LYS A 13 11.378 8.745 -4.864 1.00 0.00 H ATOM 115 H LYS A 13 11.839 1.544 -2.968 1.00 0.00 H ATOM 116 N THR A 14 13.501 0.270 -5.247 1.00 0.33 N ATOM 117 CA THR A 14 14.335 -0.732 -5.900 1.00 0.39 C ATOM 118 C THR A 14 13.502 -1.634 -6.803 1.00 0.41 C ATOM 119 O THR A 14 14.045 -2.403 -7.597 1.00 0.46 O ATOM 120 CB THR A 14 15.080 -1.601 -4.869 1.00 0.43 C ATOM 121 OG1 THR A 14 15.764 -0.767 -3.930 1.00 0.44 O ATOM 122 CG2 THR A 14 16.075 -2.521 -5.559 1.00 0.50 C ATOM 123 HG1 THR A 14 15.108 -0.194 -3.460 1.00 0.00 H ATOM 124 H THR A 14 12.788 -0.042 -4.557 1.00 0.00 H ATOM 125 N TYR A 15 12.183 -1.536 -6.678 1.00 0.37 N ATOM 126 CA TYR A 15 11.277 -2.346 -7.483 1.00 0.40 C ATOM 127 C TYR A 15 10.440 -1.470 -8.409 1.00 0.39 C ATOM 128 O TYR A 15 9.679 -1.971 -9.238 1.00 0.43 O ATOM 129 CB TYR A 15 10.361 -3.175 -6.579 1.00 0.39 C ATOM 130 CG TYR A 15 11.082 -4.267 -5.826 1.00 0.43 C ATOM 131 CD1 TYR A 15 11.054 -4.316 -4.437 1.00 0.41 C ATOM 132 CD2 TYR A 15 11.793 -5.251 -6.500 1.00 0.49 C ATOM 133 CE1 TYR A 15 11.711 -5.314 -3.744 1.00 0.46 C ATOM 134 CE2 TYR A 15 12.451 -6.254 -5.817 1.00 0.52 C ATOM 135 CZ TYR A 15 12.408 -6.282 -4.437 1.00 0.51 C ATOM 136 OH TYR A 15 13.065 -7.277 -3.751 1.00 0.56 O ATOM 137 HH TYR A 15 12.932 -7.149 -2.778 1.00 0.00 H ATOM 138 H TYR A 15 11.787 -0.865 -5.989 1.00 0.00 H ATOM 139 N CYS A 16 10.585 -0.158 -8.262 1.00 0.35 N ATOM 140 CA CYS A 16 9.843 0.791 -9.086 1.00 0.36 C ATOM 141 C CYS A 16 10.739 1.946 -9.525 1.00 0.37 C ATOM 142 O CYS A 16 10.783 2.295 -10.705 1.00 0.42 O ATOM 143 CB CYS A 16 8.637 1.332 -8.315 1.00 0.32 C ATOM 144 SG CYS A 16 7.695 0.062 -7.435 1.00 0.32 S ATOM 145 H CYS A 16 11.243 0.202 -7.542 1.00 0.00 H ATOM 146 N GLY A 17 11.449 2.535 -8.571 1.00 0.33 N ATOM 147 CA GLY A 17 12.333 3.645 -8.880 1.00 0.34 C ATOM 148 C GLY A 17 11.698 4.990 -8.585 1.00 0.32 C ATOM 149 O GLY A 17 11.194 5.220 -7.485 1.00 0.27 O ATOM 150 H GLY A 17 11.371 2.198 -7.590 1.00 0.00 H ATOM 151 N LYS A 18 11.725 5.881 -9.569 1.00 0.36 N ATOM 152 CA LYS A 18 11.148 7.212 -9.411 1.00 0.36 C ATOM 153 C LYS A 18 9.625 7.151 -9.434 1.00 0.36 C ATOM 154 O LYS A 18 8.949 8.055 -8.942 1.00 0.36 O ATOM 155 CB LYS A 18 11.648 8.142 -10.520 1.00 0.43 C ATOM 156 CG LYS A 18 11.463 7.577 -11.916 1.00 0.48 C ATOM 157 CD LYS A 18 12.778 7.083 -12.499 1.00 0.52 C ATOM 158 CE LYS A 18 13.304 8.031 -13.566 1.00 0.58 C ATOM 159 NZ LYS A 18 14.744 8.353 -13.359 1.00 0.59 N ATOM 160 HZ1 LYS A 18 14.867 8.805 -12.430 1.00 0.00 H ATOM 161 HZ2 LYS A 18 15.303 7.477 -13.396 1.00 0.00 H ATOM 162 HZ3 LYS A 18 15.064 9.001 -14.107 1.00 0.00 H ATOM 163 H LYS A 18 12.168 5.624 -10.474 1.00 0.00 H ATOM 164 N THR A 19 9.088 6.079 -10.008 1.00 0.37 N ATOM 165 CA THR A 19 7.645 5.899 -10.094 1.00 0.39 C ATOM 166 C THR A 19 7.050 5.563 -8.732 1.00 0.33 C ATOM 167 O THR A 19 5.858 5.767 -8.497 1.00 0.43 O ATOM 168 CB THR A 19 7.274 4.785 -11.092 1.00 0.46 C ATOM 169 OG1 THR A 19 7.464 3.502 -10.486 1.00 0.53 O ATOM 170 CG2 THR A 19 8.123 4.884 -12.352 1.00 0.61 C ATOM 171 HG1 THR A 19 7.223 2.793 -11.134 1.00 0.00 H ATOM 172 H THR A 19 9.714 5.350 -10.406 1.00 0.00 H ATOM 173 N SER A 20 7.900 5.076 -7.820 1.00 0.30 N ATOM 174 CA SER A 20 7.485 4.684 -6.465 1.00 0.24 C ATOM 175 C SER A 20 6.674 5.776 -5.757 1.00 0.22 C ATOM 176 O SER A 20 6.867 6.967 -6.011 1.00 0.26 O ATOM 177 CB SER A 20 8.715 4.347 -5.624 1.00 0.22 C ATOM 178 OG SER A 20 9.436 5.518 -5.281 1.00 0.25 O ATOM 179 HG SER A 20 9.733 5.975 -6.107 1.00 0.00 H ATOM 180 H SER A 20 8.901 4.970 -8.082 1.00 0.00 H ATOM 181 N PRO A 21 5.764 5.375 -4.844 1.00 0.20 N ATOM 182 CA PRO A 21 4.926 6.316 -4.092 1.00 0.22 C ATOM 183 C PRO A 21 5.734 7.143 -3.097 1.00 0.22 C ATOM 184 O PRO A 21 6.872 6.802 -2.765 1.00 0.24 O ATOM 185 CB PRO A 21 3.941 5.408 -3.352 1.00 0.23 C ATOM 186 CG PRO A 21 4.625 4.092 -3.249 1.00 0.21 C ATOM 187 CD PRO A 21 5.478 3.973 -4.479 1.00 0.20 C ATOM 188 N SER A 22 5.138 8.227 -2.620 1.00 0.24 N ATOM 189 CA SER A 22 5.800 9.109 -1.670 1.00 0.26 C ATOM 190 C SER A 22 5.428 8.754 -0.235 1.00 0.23 C ATOM 191 O SER A 22 4.580 7.893 0.009 1.00 0.23 O ATOM 192 CB SER A 22 5.427 10.566 -1.956 1.00 0.31 C ATOM 193 OG SER A 22 4.023 10.752 -1.921 1.00 0.32 O ATOM 194 HG SER A 22 3.812 11.701 -2.109 1.00 0.00 H ATOM 195 H SER A 22 4.172 8.453 -2.933 1.00 0.00 H ATOM 196 N LYS A 23 6.074 9.429 0.710 1.00 0.24 N ATOM 197 CA LYS A 23 5.823 9.215 2.130 1.00 0.25 C ATOM 198 C LYS A 23 4.445 9.755 2.520 1.00 0.23 C ATOM 199 O LYS A 23 3.782 9.213 3.405 1.00 0.26 O ATOM 200 CB LYS A 23 6.929 9.897 2.947 1.00 0.29 C ATOM 201 CG LYS A 23 6.585 10.128 4.410 1.00 0.41 C ATOM 202 CD LYS A 23 7.543 11.120 5.049 1.00 0.87 C ATOM 203 CE LYS A 23 6.877 11.890 6.178 1.00 1.02 C ATOM 204 NZ LYS A 23 7.707 13.039 6.631 1.00 1.62 N ATOM 205 HZ1 LYS A 23 8.625 12.689 6.972 1.00 0.00 H ATOM 206 HZ2 LYS A 23 7.857 13.692 5.835 1.00 0.00 H ATOM 207 HZ3 LYS A 23 7.217 13.537 7.401 1.00 0.00 H ATOM 208 H LYS A 23 6.783 10.135 0.427 1.00 0.00 H ATOM 209 N LYS A 24 4.017 10.813 1.836 1.00 0.20 N ATOM 210 CA LYS A 24 2.722 11.432 2.100 1.00 0.21 C ATOM 211 C LYS A 24 1.579 10.593 1.531 1.00 0.20 C ATOM 212 O LYS A 24 0.464 10.619 2.053 1.00 0.22 O ATOM 213 CB LYS A 24 2.684 12.842 1.506 1.00 0.24 C ATOM 214 CG LYS A 24 3.664 13.804 2.158 1.00 0.43 C ATOM 215 CD LYS A 24 3.791 15.099 1.368 1.00 0.79 C ATOM 216 CE LYS A 24 4.533 14.882 0.058 1.00 1.35 C ATOM 217 NZ LYS A 24 5.012 16.164 -0.528 1.00 2.01 N ATOM 218 HZ1 LYS A 24 4.198 16.785 -0.713 1.00 0.00 H ATOM 219 HZ2 LYS A 24 5.659 16.629 0.140 1.00 0.00 H ATOM 220 HZ3 LYS A 24 5.512 15.971 -1.419 1.00 0.00 H ATOM 221 H LYS A 24 4.624 11.211 1.091 1.00 0.00 H ATOM 222 N GLU A 25 1.859 9.848 0.462 1.00 0.18 N ATOM 223 CA GLU A 25 0.847 9.002 -0.162 1.00 0.17 C ATOM 224 C GLU A 25 0.547 7.782 0.704 1.00 0.16 C ATOM 225 O GLU A 25 -0.576 7.605 1.176 1.00 0.17 O ATOM 226 CB GLU A 25 1.314 8.553 -1.550 1.00 0.17 C ATOM 227 CG GLU A 25 0.457 9.090 -2.683 1.00 0.19 C ATOM 228 CD GLU A 25 0.705 8.372 -3.994 1.00 0.18 C ATOM 229 OE1 GLU A 25 0.514 8.997 -5.060 1.00 0.26 O ATOM 230 OE2 GLU A 25 1.089 7.185 -3.957 1.00 0.21 O ATOM 231 H GLU A 25 2.820 9.870 0.064 1.00 0.00 H ATOM 232 N ILE A 26 1.559 6.946 0.909 1.00 0.16 N ATOM 233 CA ILE A 26 1.402 5.744 1.719 1.00 0.15 C ATOM 234 C ILE A 26 0.790 6.072 3.077 1.00 0.15 C ATOM 235 O ILE A 26 -0.142 5.404 3.524 1.00 0.14 O ATOM 236 CB ILE A 26 2.753 5.033 1.936 1.00 0.16 C ATOM 237 CG1 ILE A 26 3.357 4.621 0.594 1.00 0.16 C ATOM 238 CG2 ILE A 26 2.573 3.821 2.837 1.00 0.15 C ATOM 239 CD1 ILE A 26 4.691 3.917 0.723 1.00 0.17 C ATOM 240 H ILE A 26 2.484 7.154 0.482 1.00 0.00 H ATOM 241 N GLY A 27 1.318 7.106 3.725 1.00 0.16 N ATOM 242 CA GLY A 27 0.808 7.505 5.024 1.00 0.16 C ATOM 243 C GLY A 27 -0.696 7.707 5.020 1.00 0.15 C ATOM 244 O GLY A 27 -1.383 7.315 5.963 1.00 0.15 O ATOM 245 H GLY A 27 2.105 7.634 3.297 1.00 0.00 H ATOM 246 N ALA A 28 -1.205 8.320 3.958 1.00 0.15 N ATOM 247 CA ALA A 28 -2.635 8.573 3.835 1.00 0.14 C ATOM 248 C ALA A 28 -3.396 7.286 3.535 1.00 0.13 C ATOM 249 O ALA A 28 -4.463 7.039 4.098 1.00 0.12 O ATOM 250 CB ALA A 28 -2.899 9.607 2.750 1.00 0.15 C ATOM 251 H ALA A 28 -0.568 8.627 3.195 1.00 0.00 H ATOM 252 N MET A 29 -2.842 6.470 2.645 1.00 0.13 N ATOM 253 CA MET A 29 -3.469 5.208 2.272 1.00 0.11 C ATOM 254 C MET A 29 -3.599 4.287 3.479 1.00 0.11 C ATOM 255 O MET A 29 -4.599 3.584 3.635 1.00 0.10 O ATOM 256 CB MET A 29 -2.659 4.517 1.172 1.00 0.11 C ATOM 257 CG MET A 29 -3.270 3.207 0.702 1.00 0.10 C ATOM 258 SD MET A 29 -2.025 1.982 0.252 1.00 0.10 S ATOM 259 CE MET A 29 -1.176 1.774 1.817 1.00 0.11 C ATOM 260 H MET A 29 -1.939 6.738 2.204 1.00 0.00 H ATOM 261 N LEU A 30 -2.582 4.291 4.335 1.00 0.12 N ATOM 262 CA LEU A 30 -2.580 3.455 5.530 1.00 0.12 C ATOM 263 C LEU A 30 -3.757 3.803 6.437 1.00 0.12 C ATOM 264 O LEU A 30 -4.532 2.931 6.826 1.00 0.11 O ATOM 265 CB LEU A 30 -1.266 3.622 6.292 1.00 0.13 C ATOM 266 CG LEU A 30 -0.286 2.452 6.203 1.00 0.13 C ATOM 267 CD1 LEU A 30 0.118 2.200 4.760 1.00 0.13 C ATOM 268 CD2 LEU A 30 0.940 2.717 7.066 1.00 0.15 C ATOM 269 H LEU A 30 -1.765 4.907 4.147 1.00 0.00 H ATOM 270 N SER A 31 -3.882 5.084 6.770 1.00 0.13 N ATOM 271 CA SER A 31 -4.962 5.549 7.633 1.00 0.13 C ATOM 272 C SER A 31 -6.315 5.083 7.106 1.00 0.12 C ATOM 273 O SER A 31 -7.252 4.860 7.876 1.00 0.12 O ATOM 274 CB SER A 31 -4.939 7.074 7.739 1.00 0.14 C ATOM 275 OG SER A 31 -6.203 7.576 8.141 1.00 0.14 O ATOM 276 HG SER A 31 -6.888 7.314 7.475 1.00 0.00 H ATOM 277 H SER A 31 -3.192 5.772 6.406 1.00 0.00 H ATOM 278 N LEU A 32 -6.413 4.941 5.789 1.00 0.11 N ATOM 279 CA LEU A 32 -7.654 4.504 5.156 1.00 0.10 C ATOM 280 C LEU A 32 -7.819 2.991 5.270 1.00 0.09 C ATOM 281 O LEU A 32 -8.932 2.486 5.412 1.00 0.09 O ATOM 282 CB LEU A 32 -7.673 4.920 3.685 1.00 0.10 C ATOM 283 CG LEU A 32 -8.951 4.592 2.911 1.00 0.09 C ATOM 284 CD1 LEU A 32 -8.948 3.138 2.468 1.00 0.08 C ATOM 285 CD2 LEU A 32 -10.179 4.891 3.759 1.00 0.09 C ATOM 286 H LEU A 32 -5.585 5.146 5.194 1.00 0.00 H ATOM 287 N LEU A 33 -6.703 2.273 5.209 1.00 0.09 N ATOM 288 CA LEU A 33 -6.723 0.819 5.307 1.00 0.08 C ATOM 289 C LEU A 33 -6.980 0.373 6.744 1.00 0.09 C ATOM 290 O LEU A 33 -7.169 -0.813 7.010 1.00 0.09 O ATOM 291 CB LEU A 33 -5.397 0.235 4.811 1.00 0.08 C ATOM 292 CG LEU A 33 -5.365 -0.203 3.345 1.00 0.08 C ATOM 293 CD1 LEU A 33 -3.966 -0.656 2.955 1.00 0.08 C ATOM 294 CD2 LEU A 33 -6.377 -1.312 3.098 1.00 0.07 C ATOM 295 H LEU A 33 -5.792 2.761 5.088 1.00 0.00 H ATOM 296 N GLN A 34 -6.988 1.332 7.663 1.00 0.10 N ATOM 297 CA GLN A 34 -7.224 1.039 9.072 1.00 0.11 C ATOM 298 C GLN A 34 -8.632 1.451 9.485 1.00 0.11 C ATOM 299 O GLN A 34 -9.230 0.851 10.380 1.00 0.12 O ATOM 300 CB GLN A 34 -6.192 1.757 9.944 1.00 0.12 C ATOM 301 CG GLN A 34 -4.753 1.459 9.555 1.00 0.13 C ATOM 302 CD GLN A 34 -3.875 1.165 10.755 1.00 0.14 C ATOM 303 OE1 GLN A 34 -4.038 1.761 11.820 1.00 0.15 O ATOM 304 NE2 GLN A 34 -2.938 0.239 10.589 1.00 0.14 N ATOM 305 HE22 GLN A 34 -2.836 -0.239 9.671 1.00 0.00 H ATOM 306 HE21 GLN A 34 -2.306 -0.008 11.377 1.00 0.00 H ATOM 307 H GLN A 34 -6.822 2.316 7.371 1.00 0.00 H ATOM 308 N LYS A 35 -9.159 2.478 8.828 1.00 0.11 N ATOM 309 CA LYS A 35 -10.499 2.970 9.125 1.00 0.11 C ATOM 310 C LYS A 35 -11.562 2.078 8.488 1.00 0.11 C ATOM 311 O LYS A 35 -12.624 1.854 9.067 1.00 0.11 O ATOM 312 CB LYS A 35 -10.659 4.407 8.625 1.00 0.12 C ATOM 313 CG LYS A 35 -10.847 4.510 7.122 1.00 0.11 C ATOM 314 CD LYS A 35 -11.034 5.954 6.681 1.00 0.11 C ATOM 315 CE LYS A 35 -12.352 6.145 5.946 1.00 0.11 C ATOM 316 NZ LYS A 35 -13.012 7.426 6.316 1.00 0.12 N ATOM 317 HZ1 LYS A 35 -13.204 7.433 7.338 1.00 0.00 H ATOM 318 HZ2 LYS A 35 -12.385 8.220 6.074 1.00 0.00 H ATOM 319 HZ3 LYS A 35 -13.906 7.517 5.793 1.00 0.00 H ATOM 320 H LYS A 35 -8.602 2.943 8.083 1.00 0.00 H ATOM 321 N GLU A 36 -11.263 1.573 7.296 1.00 0.10 N ATOM 322 CA GLU A 36 -12.195 0.704 6.582 1.00 0.09 C ATOM 323 C GLU A 36 -12.278 -0.667 7.247 1.00 0.09 C ATOM 324 O GLU A 36 -13.133 -1.483 6.907 1.00 0.09 O ATOM 325 CB GLU A 36 -11.764 0.549 5.122 1.00 0.08 C ATOM 326 CG GLU A 36 -11.751 1.858 4.350 1.00 0.08 C ATOM 327 CD GLU A 36 -13.142 2.413 4.120 1.00 0.09 C ATOM 328 OE1 GLU A 36 -13.255 3.488 3.493 1.00 0.09 O ATOM 329 OE2 GLU A 36 -14.117 1.775 4.564 1.00 0.09 O ATOM 330 H GLU A 36 -10.346 1.801 6.862 1.00 0.00 H ATOM 331 N GLY A 37 -11.383 -0.911 8.200 1.00 0.10 N ATOM 332 CA GLY A 37 -11.373 -2.184 8.899 1.00 0.10 C ATOM 333 C GLY A 37 -10.651 -3.265 8.120 1.00 0.09 C ATOM 334 O GLY A 37 -10.649 -4.430 8.519 1.00 0.10 O ATOM 335 H GLY A 37 -10.683 -0.183 8.447 1.00 0.00 H ATOM 336 N LEU A 38 -10.034 -2.880 7.008 1.00 0.08 N ATOM 337 CA LEU A 38 -9.305 -3.828 6.171 1.00 0.08 C ATOM 338 C LEU A 38 -8.000 -4.251 6.837 1.00 0.08 C ATOM 339 O LEU A 38 -7.451 -5.311 6.533 1.00 0.08 O ATOM 340 CB LEU A 38 -9.015 -3.208 4.802 1.00 0.07 C ATOM 341 CG LEU A 38 -10.225 -2.981 3.898 1.00 0.06 C ATOM 342 CD1 LEU A 38 -9.913 -1.938 2.837 1.00 0.06 C ATOM 343 CD2 LEU A 38 -10.659 -4.289 3.250 1.00 0.06 C ATOM 344 H LEU A 38 -10.071 -1.879 6.727 1.00 0.00 H ATOM 345 N LEU A 39 -7.510 -3.417 7.750 1.00 0.09 N ATOM 346 CA LEU A 39 -6.270 -3.707 8.462 1.00 0.10 C ATOM 347 C LEU A 39 -6.353 -3.237 9.910 1.00 0.11 C ATOM 348 O LEU A 39 -7.031 -2.258 10.218 1.00 0.11 O ATOM 349 CB LEU A 39 -5.088 -3.033 7.762 1.00 0.10 C ATOM 350 CG LEU A 39 -4.753 -3.552 6.362 1.00 0.09 C ATOM 351 CD1 LEU A 39 -3.539 -2.826 5.802 1.00 0.09 C ATOM 352 CD2 LEU A 39 -4.512 -5.054 6.394 1.00 0.09 C ATOM 353 H LEU A 39 -8.023 -2.537 7.961 1.00 0.00 H ATOM 354 N MET A 40 -5.657 -3.942 10.795 1.00 0.12 N ATOM 355 CA MET A 40 -5.649 -3.596 12.212 1.00 0.14 C ATOM 356 C MET A 40 -4.356 -2.876 12.589 1.00 0.14 C ATOM 357 O MET A 40 -4.307 -2.150 13.581 1.00 0.15 O ATOM 358 CB MET A 40 -5.815 -4.853 13.068 1.00 0.14 C ATOM 359 CG MET A 40 -6.176 -4.560 14.516 1.00 0.16 C ATOM 360 SD MET A 40 -5.527 -5.795 15.658 1.00 0.17 S ATOM 361 CE MET A 40 -3.782 -5.393 15.636 1.00 0.17 C ATOM 362 H MET A 40 -5.104 -4.761 10.470 1.00 0.00 H ATOM 363 N SER A 41 -3.314 -3.085 11.790 1.00 0.14 N ATOM 364 CA SER A 41 -2.022 -2.459 12.041 1.00 0.15 C ATOM 365 C SER A 41 -1.276 -2.207 10.736 1.00 0.14 C ATOM 366 O SER A 41 -1.568 -2.804 9.699 1.00 0.13 O ATOM 367 CB SER A 41 -1.176 -3.342 12.962 1.00 0.16 C ATOM 368 OG SER A 41 -1.724 -4.644 13.065 1.00 0.16 O ATOM 369 HG SER A 41 -1.159 -5.192 13.665 1.00 0.00 H ATOM 370 H SER A 41 -3.424 -3.710 10.966 1.00 0.00 H ATOM 371 N PRO A 42 -0.291 -1.298 10.783 1.00 0.15 N ATOM 372 CA PRO A 42 0.517 -0.944 9.613 1.00 0.15 C ATOM 373 C PRO A 42 1.447 -2.074 9.188 1.00 0.15 C ATOM 374 O PRO A 42 1.976 -2.071 8.077 1.00 0.15 O ATOM 375 CB PRO A 42 1.327 0.264 10.093 1.00 0.16 C ATOM 376 CG PRO A 42 1.401 0.106 11.572 1.00 0.17 C ATOM 377 CD PRO A 42 0.110 -0.545 11.985 1.00 0.17 C ATOM 378 N SER A 43 1.644 -3.040 10.080 1.00 0.16 N ATOM 379 CA SER A 43 2.514 -4.176 9.799 1.00 0.16 C ATOM 380 C SER A 43 1.747 -5.281 9.079 1.00 0.15 C ATOM 381 O SER A 43 2.328 -6.286 8.666 1.00 0.15 O ATOM 382 CB SER A 43 3.116 -4.719 11.095 1.00 0.17 C ATOM 383 OG SER A 43 2.104 -5.021 12.042 1.00 0.17 O ATOM 384 HG SER A 43 2.521 -5.370 12.869 1.00 0.00 H ATOM 385 H SER A 43 1.165 -2.984 11.002 1.00 0.00 H ATOM 386 N ASP A 44 0.441 -5.090 8.933 1.00 0.14 N ATOM 387 CA ASP A 44 -0.406 -6.069 8.263 1.00 0.12 C ATOM 388 C ASP A 44 0.003 -6.233 6.803 1.00 0.12 C ATOM 389 O ASP A 44 -0.367 -7.208 6.147 1.00 0.11 O ATOM 390 CB ASP A 44 -1.875 -5.651 8.350 1.00 0.12 C ATOM 391 CG ASP A 44 -2.808 -6.835 8.496 1.00 0.11 C ATOM 392 OD1 ASP A 44 -2.546 -7.878 7.858 1.00 0.11 O ATOM 393 OD2 ASP A 44 -3.799 -6.723 9.245 1.00 0.11 O ATOM 394 H ASP A 44 0.011 -4.220 9.306 1.00 0.00 H ATOM 395 N LEU A 45 0.768 -5.271 6.296 1.00 0.12 N ATOM 396 CA LEU A 45 1.228 -5.306 4.913 1.00 0.12 C ATOM 397 C LEU A 45 2.123 -6.518 4.667 1.00 0.12 C ATOM 398 O LEU A 45 2.362 -6.903 3.523 1.00 0.12 O ATOM 399 CB LEU A 45 1.983 -4.022 4.571 1.00 0.12 C ATOM 400 CG LEU A 45 1.369 -3.155 3.471 1.00 0.12 C ATOM 401 CD1 LEU A 45 1.648 -3.757 2.101 1.00 0.11 C ATOM 402 CD2 LEU A 45 -0.129 -2.994 3.690 1.00 0.10 C ATOM 403 H LEU A 45 1.046 -4.473 6.902 1.00 0.00 H ATOM 404 N TYR A 46 2.614 -7.112 5.749 1.00 0.13 N ATOM 405 CA TYR A 46 3.483 -8.278 5.652 1.00 0.14 C ATOM 406 C TYR A 46 2.670 -9.548 5.427 1.00 0.13 C ATOM 407 O TYR A 46 3.218 -10.648 5.372 1.00 0.13 O ATOM 408 CB TYR A 46 4.326 -8.418 6.919 1.00 0.15 C ATOM 409 CG TYR A 46 5.092 -7.165 7.280 1.00 0.16 C ATOM 410 CD1 TYR A 46 5.653 -6.363 6.293 1.00 0.16 C ATOM 411 CD2 TYR A 46 5.255 -6.784 8.606 1.00 0.17 C ATOM 412 CE1 TYR A 46 6.354 -5.217 6.618 1.00 0.17 C ATOM 413 CE2 TYR A 46 5.952 -5.639 8.939 1.00 0.18 C ATOM 414 CZ TYR A 46 6.500 -4.858 7.941 1.00 0.18 C ATOM 415 OH TYR A 46 7.196 -3.718 8.271 1.00 0.19 O ATOM 416 HH TYR A 46 7.519 -3.279 7.445 1.00 0.00 H ATOM 417 H TYR A 46 2.372 -6.736 6.688 1.00 0.00 H ATOM 418 N SER A 47 1.356 -9.386 5.295 1.00 0.12 N ATOM 419 CA SER A 47 0.464 -10.517 5.078 1.00 0.11 C ATOM 420 C SER A 47 -0.035 -10.550 3.637 1.00 0.10 C ATOM 421 O SER A 47 -1.031 -9.919 3.282 1.00 0.09 O ATOM 422 CB SER A 47 -0.724 -10.449 6.039 1.00 0.11 C ATOM 423 OG SER A 47 -0.441 -11.127 7.250 1.00 0.12 O ATOM 424 HG SER A 47 -1.225 -11.067 7.851 1.00 0.00 H ATOM 425 H SER A 47 0.956 -8.428 5.348 1.00 0.00 H ATOM 426 N PRO A 48 0.675 -11.302 2.781 1.00 0.11 N ATOM 427 CA PRO A 48 0.326 -11.435 1.364 1.00 0.10 C ATOM 428 C PRO A 48 -0.955 -12.235 1.157 1.00 0.09 C ATOM 429 O PRO A 48 -1.436 -12.375 0.032 1.00 0.09 O ATOM 430 CB PRO A 48 1.525 -12.179 0.772 1.00 0.11 C ATOM 431 CG PRO A 48 2.107 -12.933 1.917 1.00 0.12 C ATOM 432 CD PRO A 48 1.876 -12.079 3.134 1.00 0.12 C ATOM 433 N GLY A 49 -1.503 -12.758 2.248 1.00 0.09 N ATOM 434 CA GLY A 49 -2.725 -13.539 2.164 1.00 0.09 C ATOM 435 C GLY A 49 -3.964 -12.709 2.445 1.00 0.08 C ATOM 436 O GLY A 49 -5.072 -13.241 2.515 1.00 0.08 O ATOM 437 H GLY A 49 -1.052 -12.607 3.173 1.00 0.00 H ATOM 438 N SER A 50 -3.775 -11.404 2.609 1.00 0.08 N ATOM 439 CA SER A 50 -4.884 -10.501 2.890 1.00 0.07 C ATOM 440 C SER A 50 -4.999 -9.429 1.810 1.00 0.06 C ATOM 441 O SER A 50 -5.822 -8.519 1.909 1.00 0.06 O ATOM 442 CB SER A 50 -4.702 -9.845 4.259 1.00 0.08 C ATOM 443 OG SER A 50 -4.840 -10.792 5.303 1.00 0.09 O ATOM 444 HG SER A 50 -4.718 -10.340 6.175 1.00 0.00 H ATOM 445 H SER A 50 -2.812 -11.018 2.535 1.00 0.00 H ATOM 446 N TRP A 51 -4.168 -9.543 0.781 1.00 0.07 N ATOM 447 CA TRP A 51 -4.174 -8.585 -0.318 1.00 0.06 C ATOM 448 C TRP A 51 -5.434 -8.736 -1.164 1.00 0.06 C ATOM 449 O TRP A 51 -5.817 -7.819 -1.892 1.00 0.06 O ATOM 450 CB TRP A 51 -2.934 -8.770 -1.191 1.00 0.07 C ATOM 451 CG TRP A 51 -1.664 -8.345 -0.517 1.00 0.08 C ATOM 452 CD1 TRP A 51 -1.546 -7.510 0.557 1.00 0.08 C ATOM 453 CD2 TRP A 51 -0.332 -8.735 -0.873 1.00 0.09 C ATOM 454 NE1 TRP A 51 -0.222 -7.356 0.891 1.00 0.09 N ATOM 455 CE2 TRP A 51 0.543 -8.099 0.030 1.00 0.10 C ATOM 456 CE3 TRP A 51 0.205 -9.560 -1.863 1.00 0.09 C ATOM 457 CZ2 TRP A 51 1.923 -8.262 -0.034 1.00 0.11 C ATOM 458 CZ3 TRP A 51 1.575 -9.722 -1.924 1.00 0.11 C ATOM 459 CH2 TRP A 51 2.422 -9.076 -1.014 1.00 0.11 C ATOM 460 HE1 TRP A 51 0.141 -6.771 1.670 1.00 0.00 H ATOM 461 H TRP A 51 -3.495 -10.336 0.758 1.00 0.00 H ATOM 462 N ASP A 52 -6.073 -9.895 -1.065 1.00 0.06 N ATOM 463 CA ASP A 52 -7.289 -10.168 -1.822 1.00 0.07 C ATOM 464 C ASP A 52 -8.415 -9.228 -1.393 1.00 0.06 C ATOM 465 O ASP A 52 -8.951 -8.457 -2.189 1.00 0.06 O ATOM 466 CB ASP A 52 -7.722 -11.621 -1.631 1.00 0.07 C ATOM 467 CG ASP A 52 -7.296 -12.507 -2.785 1.00 0.08 C ATOM 468 OD1 ASP A 52 -8.059 -13.431 -3.139 1.00 0.09 O ATOM 469 OD2 ASP A 52 -6.199 -12.277 -3.336 1.00 0.08 O ATOM 470 H ASP A 52 -5.696 -10.628 -0.431 1.00 0.00 H ATOM 471 N PRO A 53 -8.784 -9.296 -0.105 1.00 0.06 N ATOM 472 CA PRO A 53 -9.848 -8.462 0.458 1.00 0.06 C ATOM 473 C PRO A 53 -9.447 -6.993 0.548 1.00 0.05 C ATOM 474 O PRO A 53 -10.270 -6.134 0.866 1.00 0.06 O ATOM 475 CB PRO A 53 -10.056 -9.047 1.857 1.00 0.06 C ATOM 476 CG PRO A 53 -8.753 -9.683 2.198 1.00 0.06 C ATOM 477 CD PRO A 53 -8.188 -10.192 0.901 1.00 0.06 C ATOM 478 N ILE A 54 -8.179 -6.713 0.266 1.00 0.05 N ATOM 479 CA ILE A 54 -7.671 -5.348 0.315 1.00 0.05 C ATOM 480 C ILE A 54 -7.518 -4.769 -1.089 1.00 0.05 C ATOM 481 O ILE A 54 -7.476 -3.550 -1.269 1.00 0.05 O ATOM 482 CB ILE A 54 -6.313 -5.278 1.037 1.00 0.05 C ATOM 483 CG1 ILE A 54 -6.456 -5.750 2.484 1.00 0.05 C ATOM 484 CG2 ILE A 54 -5.758 -3.862 0.987 1.00 0.05 C ATOM 485 CD1 ILE A 54 -5.133 -6.010 3.170 1.00 0.06 C ATOM 486 H ILE A 54 -7.534 -7.486 0.004 1.00 0.00 H ATOM 487 N THR A 55 -7.437 -5.649 -2.082 1.00 0.06 N ATOM 488 CA THR A 55 -7.290 -5.225 -3.467 1.00 0.06 C ATOM 489 C THR A 55 -8.647 -5.075 -4.144 1.00 0.07 C ATOM 490 O THR A 55 -8.856 -4.162 -4.943 1.00 0.08 O ATOM 491 CB THR A 55 -6.438 -6.225 -4.273 1.00 0.07 C ATOM 492 OG1 THR A 55 -5.090 -6.216 -3.792 1.00 0.07 O ATOM 493 CG2 THR A 55 -6.456 -5.881 -5.755 1.00 0.08 C ATOM 494 HG1 THR A 55 -5.080 -6.474 -2.836 1.00 0.00 H ATOM 495 H THR A 55 -7.480 -6.665 -1.864 1.00 0.00 H ATOM 496 N ALA A 56 -9.570 -5.974 -3.818 1.00 0.07 N ATOM 497 CA ALA A 56 -10.910 -5.938 -4.391 1.00 0.08 C ATOM 498 C ALA A 56 -11.696 -4.738 -3.875 1.00 0.08 C ATOM 499 O ALA A 56 -12.425 -4.092 -4.625 1.00 0.09 O ATOM 500 CB ALA A 56 -11.651 -7.230 -4.081 1.00 0.08 C ATOM 501 H ALA A 56 -9.330 -6.722 -3.137 1.00 0.00 H ATOM 502 N ALA A 57 -11.544 -4.446 -2.587 1.00 0.07 N ATOM 503 CA ALA A 57 -12.238 -3.322 -1.971 1.00 0.07 C ATOM 504 C ALA A 57 -11.828 -2.003 -2.615 1.00 0.07 C ATOM 505 O ALA A 57 -12.674 -1.248 -3.100 1.00 0.08 O ATOM 506 CB ALA A 57 -11.963 -3.289 -0.474 1.00 0.06 C ATOM 507 H ALA A 57 -10.914 -5.034 -2.005 1.00 0.00 H ATOM 508 N LEU A 58 -10.528 -1.730 -2.616 1.00 0.07 N ATOM 509 CA LEU A 58 -10.007 -0.499 -3.201 1.00 0.08 C ATOM 510 C LEU A 58 -10.442 -0.361 -4.657 1.00 0.09 C ATOM 511 O LEU A 58 -10.833 0.719 -5.098 1.00 0.09 O ATOM 512 CB LEU A 58 -8.480 -0.474 -3.109 1.00 0.07 C ATOM 513 CG LEU A 58 -7.895 -0.260 -1.713 1.00 0.07 C ATOM 514 CD1 LEU A 58 -6.427 -0.654 -1.682 1.00 0.07 C ATOM 515 CD2 LEU A 58 -8.071 1.187 -1.277 1.00 0.07 C ATOM 516 H LEU A 58 -9.866 -2.410 -2.190 1.00 0.00 H ATOM 517 N SER A 59 -10.373 -1.462 -5.397 1.00 0.09 N ATOM 518 CA SER A 59 -10.759 -1.464 -6.804 1.00 0.10 C ATOM 519 C SER A 59 -12.273 -1.373 -6.951 1.00 0.11 C ATOM 520 O SER A 59 -12.783 -0.992 -8.006 1.00 0.12 O ATOM 521 CB SER A 59 -10.242 -2.729 -7.494 1.00 0.10 C ATOM 522 OG SER A 59 -10.853 -2.902 -8.761 1.00 0.12 O ATOM 523 HG SER A 59 -11.833 -2.981 -8.645 1.00 0.00 H ATOM 524 H SER A 59 -10.035 -2.345 -4.963 1.00 0.00 H ATOM 525 N GLN A 60 -12.988 -1.724 -5.887 1.00 0.10 N ATOM 526 CA GLN A 60 -14.445 -1.683 -5.899 1.00 0.11 C ATOM 527 C GLN A 60 -14.951 -0.267 -5.645 1.00 0.11 C ATOM 528 O GLN A 60 -15.890 0.194 -6.298 1.00 0.13 O ATOM 529 CB GLN A 60 -15.013 -2.635 -4.846 1.00 0.11 C ATOM 530 CG GLN A 60 -16.529 -2.602 -4.746 1.00 0.12 C ATOM 531 CD GLN A 60 -17.053 -3.347 -3.534 1.00 0.12 C ATOM 532 OE1 GLN A 60 -17.931 -4.202 -3.648 1.00 0.12 O ATOM 533 NE2 GLN A 60 -16.514 -3.026 -2.364 1.00 0.11 N ATOM 534 HE22 GLN A 60 -15.774 -2.297 -2.315 1.00 0.00 H ATOM 535 HE21 GLN A 60 -16.832 -3.504 -1.497 1.00 0.00 H ATOM 536 H GLN A 60 -12.496 -2.035 -5.025 1.00 0.00 H ATOM 537 N ARG A 61 -14.327 0.419 -4.694 1.00 0.11 N ATOM 538 CA ARG A 61 -14.715 1.783 -4.354 1.00 0.11 C ATOM 539 C ARG A 61 -14.335 2.750 -5.470 1.00 0.12 C ATOM 540 O ARG A 61 -15.035 3.730 -5.721 1.00 0.13 O ATOM 541 CB ARG A 61 -14.052 2.212 -3.045 1.00 0.10 C ATOM 542 CG ARG A 61 -12.666 2.804 -3.227 1.00 0.10 C ATOM 543 CD ARG A 61 -12.028 3.156 -1.893 1.00 0.09 C ATOM 544 NE ARG A 61 -11.643 4.564 -1.824 1.00 0.10 N ATOM 545 CZ ARG A 61 -11.240 5.161 -0.708 1.00 0.09 C ATOM 546 NH1 ARG A 61 -11.171 4.478 0.426 1.00 0.09 N ATOM 547 NH2 ARG A 61 -10.906 6.445 -0.725 1.00 0.10 N ATOM 548 HE ARG A 61 -11.687 5.129 -2.696 1.00 0.00 H ATOM 549 HH12 ARG A 61 -10.855 4.948 1.298 1.00 0.00 H ATOM 550 HH11 ARG A 61 -11.433 3.472 0.444 1.00 0.00 H ATOM 551 HH22 ARG A 61 -10.591 6.912 0.149 1.00 0.00 H ATOM 552 HH21 ARG A 61 -10.960 6.985 -1.612 1.00 0.00 H ATOM 553 H ARG A 61 -13.542 -0.028 -4.179 1.00 0.00 H ATOM 554 N ALA A 62 -13.221 2.469 -6.137 1.00 0.12 N ATOM 555 CA ALA A 62 -12.748 3.314 -7.226 1.00 0.13 C ATOM 556 C ALA A 62 -13.642 3.178 -8.453 1.00 0.14 C ATOM 557 O ALA A 62 -14.010 4.173 -9.078 1.00 0.15 O ATOM 558 CB ALA A 62 -11.308 2.966 -7.578 1.00 0.12 C ATOM 559 H ALA A 62 -12.673 1.625 -5.875 1.00 0.00 H ATOM 560 N MET A 63 -13.987 1.941 -8.794 1.00 0.14 N ATOM 561 CA MET A 63 -14.839 1.675 -9.948 1.00 0.15 C ATOM 562 C MET A 63 -16.260 2.170 -9.699 1.00 0.16 C ATOM 563 O MET A 63 -16.945 2.610 -10.623 1.00 0.17 O ATOM 564 CB MET A 63 -14.856 0.179 -10.263 1.00 0.15 C ATOM 565 CG MET A 63 -15.642 -0.645 -9.258 1.00 0.15 C ATOM 566 SD MET A 63 -15.803 -2.373 -9.750 1.00 0.15 S ATOM 567 CE MET A 63 -14.085 -2.881 -9.768 1.00 0.14 C ATOM 568 H MET A 63 -13.641 1.143 -8.224 1.00 0.00 H ATOM 569 N ILE A 64 -16.695 2.097 -8.446 1.00 0.15 N ATOM 570 CA ILE A 64 -18.036 2.538 -8.077 1.00 0.16 C ATOM 571 C ILE A 64 -18.060 4.033 -7.780 1.00 0.16 C ATOM 572 O ILE A 64 -18.547 4.829 -8.584 1.00 0.17 O ATOM 573 CB ILE A 64 -18.562 1.774 -6.847 1.00 0.15 C ATOM 574 CG1 ILE A 64 -18.713 0.286 -7.172 1.00 0.15 C ATOM 575 CG2 ILE A 64 -19.888 2.358 -6.389 1.00 0.16 C ATOM 576 CD1 ILE A 64 -19.125 -0.553 -5.983 1.00 0.15 C ATOM 577 H ILE A 64 -16.065 1.717 -7.711 1.00 0.00 H ATOM 578 N LEU A 65 -17.528 4.408 -6.621 1.00 0.15 N ATOM 579 CA LEU A 65 -17.486 5.810 -6.217 1.00 0.15 C ATOM 580 C LEU A 65 -16.878 6.675 -7.316 1.00 0.16 C ATOM 581 O LEU A 65 -17.325 7.796 -7.557 1.00 0.16 O ATOM 582 CB LEU A 65 -16.681 5.964 -4.926 1.00 0.14 C ATOM 583 CG LEU A 65 -17.308 6.846 -3.844 1.00 0.14 C ATOM 584 CD1 LEU A 65 -18.217 6.022 -2.946 1.00 0.14 C ATOM 585 CD2 LEU A 65 -16.227 7.535 -3.025 1.00 0.13 C ATOM 586 H LEU A 65 -17.132 3.685 -5.987 1.00 0.00 H ATOM 587 N GLY A 66 -15.857 6.145 -7.982 1.00 0.15 N ATOM 588 CA GLY A 66 -15.205 6.883 -9.049 1.00 0.16 C ATOM 589 C GLY A 66 -13.991 7.650 -8.568 1.00 0.16 C ATOM 590 O GLY A 66 -13.791 8.807 -8.937 1.00 0.16 O ATOM 591 H GLY A 66 -15.522 5.192 -7.736 1.00 0.00 H ATOM 592 N LYS A 67 -13.176 7.003 -7.738 1.00 0.15 N ATOM 593 CA LYS A 67 -11.974 7.632 -7.203 1.00 0.14 C ATOM 594 C LYS A 67 -11.006 6.583 -6.664 1.00 0.13 C ATOM 595 O LYS A 67 -11.360 5.787 -5.793 1.00 0.12 O ATOM 596 CB LYS A 67 -12.341 8.621 -6.094 1.00 0.14 C ATOM 597 CG LYS A 67 -13.040 7.975 -4.910 1.00 0.13 C ATOM 598 CD LYS A 67 -12.088 7.772 -3.743 1.00 0.12 C ATOM 599 CE LYS A 67 -12.157 8.929 -2.760 1.00 0.13 C ATOM 600 NZ LYS A 67 -11.998 10.245 -3.440 1.00 0.14 N ATOM 601 HZ1 LYS A 67 -11.075 10.277 -3.918 1.00 0.00 H ATOM 602 HZ2 LYS A 67 -12.757 10.366 -4.140 1.00 0.00 H ATOM 603 HZ3 LYS A 67 -12.051 11.007 -2.734 1.00 0.00 H ATOM 604 H LYS A 67 -13.402 6.025 -7.464 1.00 0.00 H ATOM 605 N SER A 68 -9.784 6.588 -7.187 1.00 0.13 N ATOM 606 CA SER A 68 -8.767 5.634 -6.760 1.00 0.13 C ATOM 607 C SER A 68 -7.639 6.342 -6.017 1.00 0.13 C ATOM 608 O SER A 68 -6.464 6.035 -6.210 1.00 0.13 O ATOM 609 CB SER A 68 -8.204 4.882 -7.967 1.00 0.13 C ATOM 610 OG SER A 68 -8.067 5.743 -9.085 1.00 0.14 O ATOM 611 HG SER A 68 -7.702 5.232 -9.850 1.00 0.00 H ATOM 612 H SER A 68 -9.548 7.289 -7.918 1.00 0.00 H ATOM 613 N GLY A 69 -8.006 7.292 -5.161 1.00 0.13 N ATOM 614 CA GLY A 69 -7.014 8.029 -4.400 1.00 0.13 C ATOM 615 C GLY A 69 -6.156 7.125 -3.539 1.00 0.12 C ATOM 616 O GLY A 69 -5.037 7.485 -3.175 1.00 0.13 O ATOM 617 H GLY A 69 -9.015 7.509 -5.036 1.00 0.00 H ATOM 618 N GLU A 70 -6.681 5.949 -3.209 1.00 0.11 N ATOM 619 CA GLU A 70 -5.955 4.992 -2.383 1.00 0.10 C ATOM 620 C GLU A 70 -5.461 3.816 -3.219 1.00 0.10 C ATOM 621 O GLU A 70 -4.480 3.158 -2.869 1.00 0.10 O ATOM 622 CB GLU A 70 -6.846 4.486 -1.246 1.00 0.09 C ATOM 623 CG GLU A 70 -6.613 5.201 0.074 1.00 0.10 C ATOM 624 CD GLU A 70 -7.331 6.533 0.153 1.00 0.10 C ATOM 625 OE1 GLU A 70 -7.377 7.118 1.256 1.00 0.11 O ATOM 626 OE2 GLU A 70 -7.846 6.991 -0.887 1.00 0.11 O ATOM 627 H GLU A 70 -7.633 5.706 -3.549 1.00 0.00 H ATOM 628 N LEU A 71 -6.149 3.553 -4.324 1.00 0.10 N ATOM 629 CA LEU A 71 -5.781 2.455 -5.212 1.00 0.10 C ATOM 630 C LEU A 71 -4.398 2.680 -5.814 1.00 0.11 C ATOM 631 O LEU A 71 -3.549 1.789 -5.795 1.00 0.11 O ATOM 632 CB LEU A 71 -6.816 2.306 -6.328 1.00 0.11 C ATOM 633 CG LEU A 71 -7.353 0.893 -6.563 1.00 0.10 C ATOM 634 CD1 LEU A 71 -8.229 0.854 -7.805 1.00 0.11 C ATOM 635 CD2 LEU A 71 -6.205 -0.098 -6.684 1.00 0.10 C ATOM 636 H LEU A 71 -6.971 4.144 -4.562 1.00 0.00 H ATOM 637 N LYS A 72 -4.177 3.877 -6.343 1.00 0.12 N ATOM 638 CA LYS A 72 -2.895 4.222 -6.948 1.00 0.13 C ATOM 639 C LYS A 72 -1.745 3.916 -5.994 1.00 0.13 C ATOM 640 O LYS A 72 -0.635 3.601 -6.426 1.00 0.14 O ATOM 641 CB LYS A 72 -2.872 5.703 -7.332 1.00 0.14 C ATOM 642 CG LYS A 72 -3.688 6.023 -8.573 1.00 0.15 C ATOM 643 CD LYS A 72 -2.801 6.474 -9.723 1.00 0.16 C ATOM 644 CE LYS A 72 -2.190 7.841 -9.451 1.00 0.17 C ATOM 645 NZ LYS A 72 -2.450 8.796 -10.562 1.00 0.18 N ATOM 646 HZ1 LYS A 72 -2.038 8.424 -11.441 1.00 0.00 H ATOM 647 HZ2 LYS A 72 -3.476 8.915 -10.682 1.00 0.00 H ATOM 648 HZ3 LYS A 72 -2.017 9.714 -10.337 1.00 0.00 H ATOM 649 H LYS A 72 -4.937 4.587 -6.326 1.00 0.00 H ATOM 650 N THR A 73 -2.016 4.009 -4.696 1.00 0.13 N ATOM 651 CA THR A 73 -1.004 3.740 -3.683 1.00 0.13 C ATOM 652 C THR A 73 -0.878 2.246 -3.413 1.00 0.12 C ATOM 653 O THR A 73 0.226 1.713 -3.312 1.00 0.12 O ATOM 654 CB THR A 73 -1.325 4.465 -2.362 1.00 0.12 C ATOM 655 OG1 THR A 73 -1.887 5.755 -2.635 1.00 0.13 O ATOM 656 CG2 THR A 73 -0.074 4.621 -1.513 1.00 0.13 C ATOM 657 HG1 THR A 73 -2.090 6.213 -1.781 1.00 0.00 H ATOM 658 H THR A 73 -2.974 4.280 -4.396 1.00 0.00 H ATOM 659 N TRP A 74 -2.019 1.574 -3.296 1.00 0.11 N ATOM 660 CA TRP A 74 -2.036 0.138 -3.037 1.00 0.10 C ATOM 661 C TRP A 74 -1.330 -0.625 -4.152 1.00 0.11 C ATOM 662 O TRP A 74 -0.434 -1.427 -3.895 1.00 0.11 O ATOM 663 CB TRP A 74 -3.476 -0.357 -2.895 1.00 0.09 C ATOM 664 CG TRP A 74 -3.571 -1.808 -2.528 1.00 0.08 C ATOM 665 CD1 TRP A 74 -4.309 -2.767 -3.163 1.00 0.08 C ATOM 666 CD2 TRP A 74 -2.909 -2.462 -1.442 1.00 0.08 C ATOM 667 NE1 TRP A 74 -4.143 -3.978 -2.536 1.00 0.07 N ATOM 668 CE2 TRP A 74 -3.290 -3.818 -1.477 1.00 0.07 C ATOM 669 CE3 TRP A 74 -2.029 -2.036 -0.443 1.00 0.08 C ATOM 670 CZ2 TRP A 74 -2.822 -4.748 -0.552 1.00 0.07 C ATOM 671 CZ3 TRP A 74 -1.565 -2.960 0.475 1.00 0.08 C ATOM 672 CH2 TRP A 74 -1.961 -4.301 0.415 1.00 0.08 C ATOM 673 HE1 TRP A 74 -4.593 -4.872 -2.820 1.00 0.00 H ATOM 674 H TRP A 74 -2.921 2.084 -3.391 1.00 0.00 H ATOM 675 N GLY A 75 -1.738 -0.367 -5.390 1.00 0.11 N ATOM 676 CA GLY A 75 -1.134 -1.038 -6.527 1.00 0.12 C ATOM 677 C GLY A 75 0.379 -0.944 -6.518 1.00 0.13 C ATOM 678 O GLY A 75 1.071 -1.920 -6.805 1.00 0.13 O ATOM 679 H GLY A 75 -2.499 0.324 -5.546 1.00 0.00 H ATOM 680 N LEU A 76 0.894 0.237 -6.188 1.00 0.13 N ATOM 681 CA LEU A 76 2.336 0.456 -6.146 1.00 0.14 C ATOM 682 C LEU A 76 2.968 -0.310 -4.988 1.00 0.14 C ATOM 683 O LEU A 76 3.876 -1.118 -5.189 1.00 0.15 O ATOM 684 CB LEU A 76 2.640 1.949 -6.009 1.00 0.15 C ATOM 685 CG LEU A 76 2.881 2.707 -7.315 1.00 0.16 C ATOM 686 CD1 LEU A 76 2.415 4.149 -7.190 1.00 0.17 C ATOM 687 CD2 LEU A 76 4.355 2.653 -7.696 1.00 0.18 C ATOM 688 H LEU A 76 0.254 1.023 -5.954 1.00 0.00 H ATOM 689 N VAL A 77 2.482 -0.055 -3.778 1.00 0.14 N ATOM 690 CA VAL A 77 2.999 -0.724 -2.590 1.00 0.13 C ATOM 691 C VAL A 77 2.901 -2.238 -2.726 1.00 0.13 C ATOM 692 O VAL A 77 3.644 -2.980 -2.082 1.00 0.13 O ATOM 693 CB VAL A 77 2.238 -0.283 -1.325 1.00 0.13 C ATOM 694 CG1 VAL A 77 2.718 -1.070 -0.114 1.00 0.13 C ATOM 695 CG2 VAL A 77 2.401 1.211 -1.099 1.00 0.13 C ATOM 696 H VAL A 77 1.714 0.639 -3.676 1.00 0.00 H ATOM 697 N LEU A 78 1.980 -2.694 -3.569 1.00 0.12 N ATOM 698 CA LEU A 78 1.786 -4.121 -3.792 1.00 0.12 C ATOM 699 C LEU A 78 2.751 -4.644 -4.852 1.00 0.13 C ATOM 700 O LEU A 78 3.396 -5.677 -4.665 1.00 0.13 O ATOM 701 CB LEU A 78 0.344 -4.400 -4.218 1.00 0.11 C ATOM 702 CG LEU A 78 -0.177 -5.812 -3.944 1.00 0.10 C ATOM 703 CD1 LEU A 78 -0.539 -5.970 -2.475 1.00 0.09 C ATOM 704 CD2 LEU A 78 -1.378 -6.117 -4.825 1.00 0.09 C ATOM 705 H LEU A 78 1.383 -2.015 -4.083 1.00 0.00 H ATOM 706 N GLY A 79 2.848 -3.924 -5.965 1.00 0.13 N ATOM 707 CA GLY A 79 3.737 -4.329 -7.037 1.00 0.15 C ATOM 708 C GLY A 79 5.148 -4.593 -6.549 1.00 0.15 C ATOM 709 O GLY A 79 5.879 -5.388 -7.142 1.00 0.16 O ATOM 710 H GLY A 79 2.279 -3.059 -6.068 1.00 0.00 H ATOM 711 N ALA A 80 5.534 -3.925 -5.467 1.00 0.15 N ATOM 712 CA ALA A 80 6.867 -4.092 -4.901 1.00 0.16 C ATOM 713 C ALA A 80 6.925 -5.309 -3.985 1.00 0.16 C ATOM 714 O ALA A 80 7.767 -6.191 -4.160 1.00 0.17 O ATOM 715 CB ALA A 80 7.280 -2.839 -4.145 1.00 0.17 C ATOM 716 H ALA A 80 4.869 -3.267 -5.013 1.00 0.00 H ATOM 717 N LEU A 81 6.028 -5.350 -3.006 1.00 0.15 N ATOM 718 CA LEU A 81 5.978 -6.459 -2.060 1.00 0.15 C ATOM 719 C LEU A 81 5.806 -7.788 -2.788 1.00 0.14 C ATOM 720 O LEU A 81 6.474 -8.772 -2.472 1.00 0.15 O ATOM 721 CB LEU A 81 4.832 -6.256 -1.066 1.00 0.14 C ATOM 722 CG LEU A 81 5.235 -5.800 0.337 1.00 0.14 C ATOM 723 CD1 LEU A 81 4.009 -5.686 1.232 1.00 0.13 C ATOM 724 CD2 LEU A 81 6.249 -6.759 0.938 1.00 0.15 C ATOM 725 H LEU A 81 5.344 -4.572 -2.912 1.00 0.00 H ATOM 726 N LYS A 82 4.906 -7.808 -3.765 1.00 0.14 N ATOM 727 CA LYS A 82 4.647 -9.015 -4.541 1.00 0.14 C ATOM 728 C LYS A 82 5.946 -9.601 -5.086 1.00 0.15 C ATOM 729 O LYS A 82 6.078 -10.816 -5.225 1.00 0.15 O ATOM 730 CB LYS A 82 3.691 -8.707 -5.696 1.00 0.13 C ATOM 731 CG LYS A 82 2.277 -9.212 -5.466 1.00 0.12 C ATOM 732 CD LYS A 82 1.265 -8.428 -6.286 1.00 0.12 C ATOM 733 CE LYS A 82 -0.095 -9.112 -6.291 1.00 0.11 C ATOM 734 NZ LYS A 82 -0.432 -9.665 -7.632 1.00 0.12 N ATOM 735 HZ1 LYS A 82 -0.452 -8.893 -8.329 1.00 0.00 H ATOM 736 HZ2 LYS A 82 0.287 -10.364 -7.908 1.00 0.00 H ATOM 737 HZ3 LYS A 82 -1.365 -10.122 -7.593 1.00 0.00 H ATOM 738 H LYS A 82 4.373 -6.942 -3.982 1.00 0.00 H ATOM 739 N ALA A 83 6.902 -8.729 -5.389 1.00 0.16 N ATOM 740 CA ALA A 83 8.192 -9.162 -5.913 1.00 0.17 C ATOM 741 C ALA A 83 9.139 -9.555 -4.784 1.00 0.18 C ATOM 742 O ALA A 83 10.010 -10.406 -4.963 1.00 0.19 O ATOM 743 CB ALA A 83 8.808 -8.064 -6.766 1.00 0.18 C ATOM 744 H ALA A 83 6.726 -7.714 -5.249 1.00 0.00 H ATOM 745 N ALA A 84 8.963 -8.930 -3.626 1.00 0.17 N ATOM 746 CA ALA A 84 9.802 -9.215 -2.469 1.00 0.18 C ATOM 747 C ALA A 84 9.456 -10.569 -1.860 1.00 0.18 C ATOM 748 O ALA A 84 10.284 -11.193 -1.197 1.00 0.18 O ATOM 749 CB ALA A 84 9.660 -8.114 -1.428 1.00 0.18 C ATOM 750 H ALA A 84 8.208 -8.220 -3.543 1.00 0.00 H ATOM 751 N ARG A 85 8.227 -11.018 -2.090 1.00 0.16 N ATOM 752 CA ARG A 85 7.768 -12.298 -1.563 1.00 0.16 C ATOM 753 C ARG A 85 7.765 -13.365 -2.653 1.00 0.16 C ATOM 754 O ARG A 85 7.063 -14.372 -2.546 1.00 0.16 O ATOM 755 CB ARG A 85 6.367 -12.157 -0.965 1.00 0.15 C ATOM 756 CG ARG A 85 6.306 -11.218 0.229 1.00 0.15 C ATOM 757 CD ARG A 85 4.907 -11.164 0.823 1.00 0.14 C ATOM 758 NE ARG A 85 4.932 -11.192 2.283 1.00 0.14 N ATOM 759 CZ ARG A 85 5.302 -12.252 2.992 1.00 0.14 C ATOM 760 NH1 ARG A 85 5.675 -13.366 2.379 1.00 0.15 N ATOM 761 NH2 ARG A 85 5.297 -12.200 4.318 1.00 0.15 N ATOM 762 HE ARG A 85 4.644 -10.334 2.796 1.00 0.00 H ATOM 763 HH12 ARG A 85 5.964 -14.195 2.937 1.00 0.00 H ATOM 764 HH11 ARG A 85 5.678 -13.412 1.340 1.00 0.00 H ATOM 765 HH22 ARG A 85 5.587 -13.031 4.872 1.00 0.00 H ATOM 766 HH21 ARG A 85 5.003 -11.328 4.803 1.00 0.00 H ATOM 767 H ARG A 85 7.576 -10.442 -2.660 1.00 0.00 H ATOM 768 N GLU A 86 8.550 -13.138 -3.700 1.00 0.17 N ATOM 769 CA GLU A 86 8.634 -14.078 -4.812 1.00 0.17 C ATOM 770 C GLU A 86 10.044 -14.648 -4.936 1.00 0.19 C ATOM 771 O GLU A 86 10.229 -15.784 -5.372 1.00 0.19 O ATOM 772 CB GLU A 86 8.228 -13.396 -6.120 1.00 0.17 C ATOM 773 CG GLU A 86 6.826 -13.754 -6.582 1.00 0.16 C ATOM 774 CD GLU A 86 6.503 -13.189 -7.953 1.00 0.17 C ATOM 775 OE1 GLU A 86 7.160 -13.597 -8.932 1.00 0.18 O ATOM 776 OE2 GLU A 86 5.594 -12.338 -8.044 1.00 0.16 O ATOM 777 H GLU A 86 9.119 -12.268 -3.728 1.00 0.00 H ATOM 778 N GLU A 87 11.034 -13.847 -4.554 1.00 0.19 N ATOM 779 CA GLU A 87 12.428 -14.271 -4.625 1.00 0.21 C ATOM 780 C GLU A 87 12.779 -15.186 -3.458 1.00 0.21 C ATOM 781 O GLU A 87 13.832 -15.822 -3.449 1.00 0.22 O ATOM 782 CB GLU A 87 13.354 -13.053 -4.629 1.00 0.21 C ATOM 783 CG GLU A 87 13.817 -12.644 -6.016 1.00 0.22 C ATOM 784 CD GLU A 87 15.327 -12.563 -6.126 1.00 0.24 C ATOM 785 OE1 GLU A 87 15.941 -13.547 -6.595 1.00 0.24 O ATOM 786 OE2 GLU A 87 15.897 -11.520 -5.746 1.00 0.24 O ATOM 787 OXT GLU A 87 11.996 -15.255 -2.463 1.00 0.20 O ATOM 788 H GLU A 87 10.809 -12.897 -4.196 1.00 0.00 H TER 789 GLU A 87 HETATM 790 C1 I A 3 11.445 9.974 0.825 1.00 0.15 C HETATM 791 C2 I A 3 11.656 10.667 2.190 1.00 0.12 C HETATM 792 C3 I A 3 11.474 12.192 2.047 1.00 0.12 C HETATM 793 C4 I A 3 10.077 12.530 1.481 1.00 0.15 C HETATM 794 C5 I A 3 9.864 11.830 0.122 1.00 0.15 C HETATM 795 C6 I A 3 10.049 10.303 0.262 1.00 0.12 C HETATM 796 O6 I A 3 9.909 9.686 -0.994 1.00 -0.39 O HETATM 797 H9 I A 3 10.024 8.748 -0.899 1.00 0.21 H HETATM 798 H6 I A 3 9.282 9.912 0.947 1.00 0.07 H HETATM 799 O5 I A 3 8.547 12.088 -0.327 1.00 -0.27 O HETATM 800 P5 I A 3 8.572 13.050 -1.792 1.00 0.20 P HETATM 801 O51 I A 3 9.188 12.181 -2.922 1.00 -0.55 O HETATM 802 O52 I A 3 6.961 13.455 -2.291 1.00 -0.55 O HETATM 803 O53 I A 3 9.545 14.478 -1.629 1.00 -0.55 O HETATM 804 H5 I A 3 10.589 12.221 -0.607 1.00 0.07 H HETATM 805 O4 I A 3 9.988 13.929 1.290 1.00 -0.27 O HETATM 806 P4 I A 3 8.700 14.602 2.270 1.00 0.20 P HETATM 807 O41 I A 3 7.352 14.031 1.750 1.00 -0.55 O HETATM 808 O42 I A 3 8.851 14.169 3.944 1.00 -0.55 O HETATM 809 O43 I A 3 8.620 16.325 2.083 1.00 -0.55 O HETATM 810 H4 I A 3 9.303 12.200 2.190 1.00 0.07 H HETATM 811 O3 I A 3 11.653 12.795 3.301 1.00 -0.39 O HETATM 812 H8 I A 3 10.990 12.476 3.902 1.00 0.21 H HETATM 813 H3 I A 3 12.236 12.577 1.353 1.00 0.07 H HETATM 814 O2 I A 3 10.741 10.171 3.140 1.00 -0.39 O HETATM 815 H7 I A 3 10.899 10.589 3.978 1.00 0.21 H HETATM 816 H2 I A 3 12.679 10.460 2.538 1.00 0.07 H HETATM 817 O1 I A 3 11.560 8.572 0.978 1.00 -0.27 O HETATM 818 P1 I A 3 13.124 8.020 0.413 1.00 0.20 P HETATM 819 O11 I A 3 13.383 8.409 -1.261 1.00 -0.55 O HETATM 820 O12 I A 3 14.220 8.730 1.254 1.00 -0.55 O HETATM 821 O13 I A 3 13.297 6.315 0.685 1.00 -0.55 O HETATM 822 H1 I A 3 12.212 10.328 0.120 1.00 0.07 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 790 791 795 817 822 CONECT 791 790 792 814 816 CONECT 792 791 793 811 813 CONECT 793 792 794 805 810 CONECT 794 793 795 799 804 CONECT 795 790 794 796 798 CONECT 796 795 797 CONECT 797 796 CONECT 798 795 CONECT 799 794 800 CONECT 800 799 801 802 803 CONECT 801 800 CONECT 802 800 CONECT 803 800 CONECT 804 794 CONECT 805 793 806 CONECT 806 805 807 808 809 CONECT 807 806 CONECT 808 806 CONECT 809 806 CONECT 810 793 CONECT 811 792 812 CONECT 812 811 CONECT 813 792 CONECT 814 791 815 CONECT 815 814 CONECT 816 791 CONECT 817 790 818 CONECT 818 817 819 820 821 CONECT 819 818 CONECT 820 818 CONECT 821 818 CONECT 822 790 MASTER 0 0 0 0 0 0 0 0 821 1 37 7 END
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Structure:
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Related entries of code: 6cv8
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6cus
RCSB PDB
PDBbind
87aa, >6CUS_1|Chain... *
6cw4
RCSB PDB
PDBbind
87aa, >6CW4_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1btn
RCSB PDB
PDBbind
I3P
1h0a
RCSB PDB
PDBbind
I3P
1mai
RCSB PDB
PDBbind
I3P
1n4k
RCSB PDB
PDBbind
I3P
2p0d
RCSB PDB
PDBbind
I3P
3t8s
RCSB PDB
PDBbind
I3P
4np9
RCSB PDB
PDBbind
I3P
5hjq
RCSB PDB
PDBbind
I3P
Entry Information
PDB ID
6cv8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Matrix protein p19
Ligand Name
I3P
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.68mM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Biol. Chem. Vol. 293: pp. 18828-18840
Ligand Properties
Formula
C
6
H
1
8
O
1
5
P
3
Molecular Weight
423.119
Exact Mass
422.986
No. of atoms
42
No. of bonds
42
Polar Surface Area
311.22
LOGP Value
-7.48 (
Computed with XLOGP3
)
-4.80 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 1
Canonical SMILES
O[C@@H]1[C@@H](OP(O)(O)O)[C@H](OP(O)(O)O)[C@H]([C@@H]([C@@H]1O)OP(O)(O)O)O
InChI String
InChI=1S/C6H21O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-18,22-24H/t1-,2+,3+,4-,5-,6-/m1/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):
P03354
Entrez Gene ID
NCBI Entrez Gene ID:
2193432
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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