Browse entries in the PDBbind-CN Database
HEADER 5LAZ_COMPLEX COMPND 5LAZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO SEQRES 2 A 94 LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA SEQRES 3 A 94 GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR SEQRES 4 A 94 LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU SEQRES 5 A 94 LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU SEQRES 6 A 94 GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU SEQRES 7 A 94 HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL SEQRES 8 A 94 VAL VAL ASN HET ZN A 1 1 HET UNN A 131 66 ATOM 1 N GLN A 18 -0.053 4.019 -11.751 1.00 50.90 N ATOM 2 CA GLN A 18 0.587 5.365 -11.863 1.00 47.00 C ATOM 3 C GLN A 18 1.453 5.649 -10.636 1.00 43.30 C ATOM 4 O GLN A 18 2.652 5.912 -10.754 1.00 52.45 O ATOM 5 CB GLN A 18 -0.483 6.456 -12.005 1.00 49.36 C ATOM 6 CG GLN A 18 -1.052 6.391 -13.468 1.00 54.92 C ATOM 7 CD GLN A 18 -1.805 7.663 -13.821 1.00 54.78 C ATOM 8 OE1 GLN A 18 -2.242 8.411 -12.944 1.00 54.59 O ATOM 9 NE2 GLN A 18 -1.965 7.912 -15.116 1.00 54.79 N ATOM 10 HE22 GLN A 18 -1.580 7.254 -15.823 1.00 0.00 H ATOM 11 HE21 GLN A 18 -2.475 8.765 -15.422 1.00 0.00 H ATOM 12 HN3 GLN A 18 -0.651 3.990 -10.901 1.00 0.00 H ATOM 13 HN2 GLN A 18 0.686 3.290 -11.682 1.00 0.00 H ATOM 14 HN1 GLN A 18 -0.637 3.843 -12.593 1.00 0.00 H ATOM 15 N ILE A 19 0.822 5.574 -9.467 1.00 43.42 N ATOM 16 CA ILE A 19 1.471 5.815 -8.177 1.00 32.28 C ATOM 17 C ILE A 19 1.960 4.466 -7.632 1.00 28.93 C ATOM 18 O ILE A 19 1.170 3.519 -7.554 1.00 26.31 O ATOM 19 CB ILE A 19 0.497 6.413 -7.146 1.00 31.65 C ATOM 20 CG1 ILE A 19 -0.247 7.659 -7.699 1.00 46.25 C ATOM 21 CG2 ILE A 19 1.235 6.685 -5.836 1.00 26.17 C ATOM 22 CD1 ILE A 19 0.378 9.000 -7.385 1.00 39.52 C ATOM 23 H ILE A 19 -0.189 5.330 -9.470 1.00 0.00 H ATOM 24 N PRO A 20 3.265 4.349 -7.300 1.00 18.18 N ATOM 25 CA PRO A 20 3.786 3.122 -6.708 1.00 16.13 C ATOM 26 C PRO A 20 3.526 3.013 -5.190 1.00 14.88 C ATOM 27 O PRO A 20 3.431 4.037 -4.490 1.00 18.25 O ATOM 28 CB PRO A 20 5.283 3.204 -6.992 1.00 16.35 C ATOM 29 CG PRO A 20 5.563 4.670 -6.998 1.00 17.52 C ATOM 30 CD PRO A 20 4.359 5.292 -7.631 1.00 18.85 C ATOM 31 N ALA A 21 3.421 1.759 -4.720 1.00 19.07 N ATOM 32 CA ALA A 21 3.159 1.444 -3.289 1.00 21.72 C ATOM 33 C ALA A 21 4.231 2.040 -2.382 1.00 18.10 C ATOM 34 O ALA A 21 3.946 2.479 -1.264 1.00 21.01 O ATOM 35 CB ALA A 21 3.080 -0.086 -3.084 1.00 22.02 C ATOM 36 H ALA A 21 3.528 0.970 -5.389 1.00 0.00 H ATOM 37 N SER A 22 5.468 2.080 -2.881 1.00 18.90 N ATOM 38 CA SER A 22 6.610 2.588 -2.123 1.00 15.28 C ATOM 39 C SER A 22 6.528 4.050 -1.777 1.00 12.69 C ATOM 40 O SER A 22 7.210 4.496 -0.845 1.00 13.85 O ATOM 41 CB SER A 22 7.922 2.339 -2.885 1.00 19.66 C ATOM 42 OG SER A 22 7.968 3.039 -4.128 1.00 13.60 O ATOM 43 HG SER A 22 8.828 2.849 -4.581 1.00 0.00 H ATOM 44 H SER A 22 5.626 1.735 -3.849 1.00 0.00 H ATOM 45 N GLU A 23 5.705 4.833 -2.491 1.00 15.10 N ATOM 46 CA GLU A 23 5.625 6.249 -2.211 1.00 14.34 C ATOM 47 C GLU A 23 5.212 6.517 -0.758 1.00 14.93 C ATOM 48 O GLU A 23 5.726 7.456 -0.118 1.00 17.57 O ATOM 49 CB GLU A 23 4.671 6.946 -3.213 1.00 17.53 C ATOM 50 CG GLU A 23 4.253 8.370 -2.893 1.00 18.91 C ATOM 51 CD GLU A 23 5.419 9.335 -2.632 1.00 19.53 C ATOM 52 OE1 GLU A 23 6.547 9.041 -2.982 1.00 26.09 O ATOM 53 OE2 GLU A 23 5.179 10.393 -2.038 1.00 33.73 O ATOM 54 H GLU A 23 5.123 4.420 -3.248 1.00 0.00 H ATOM 55 N GLN A 24 4.317 5.689 -0.217 1.00 15.59 N ATOM 56 CA GLN A 24 3.818 5.950 1.128 1.00 21.30 C ATOM 57 C GLN A 24 4.884 5.695 2.222 1.00 16.89 C ATOM 58 O GLN A 24 4.682 6.103 3.361 1.00 16.38 O ATOM 59 CB GLN A 24 2.540 5.172 1.376 1.00 25.30 C ATOM 60 CG GLN A 24 2.771 3.706 1.623 1.00 25.10 C ATOM 61 CD GLN A 24 1.506 2.871 1.487 1.00 31.95 C ATOM 62 OE1 GLN A 24 0.722 2.771 2.427 1.00 24.76 O ATOM 63 NE2 GLN A 24 1.320 2.245 0.324 1.00 32.95 N ATOM 64 HE22 GLN A 24 2.011 2.359 -0.445 1.00 0.00 H ATOM 65 HE21 GLN A 24 0.484 1.642 0.186 1.00 0.00 H ATOM 66 H GLN A 24 3.978 4.863 -0.751 1.00 0.00 H ATOM 67 N GLU A 25 6.012 5.068 1.862 1.00 13.83 N ATOM 68 CA GLU A 25 7.121 4.798 2.783 1.00 16.23 C ATOM 69 C GLU A 25 8.123 5.950 2.868 1.00 13.09 C ATOM 70 O GLU A 25 9.006 5.900 3.700 1.00 16.16 O ATOM 71 CB GLU A 25 7.872 3.543 2.365 1.00 21.79 C ATOM 72 CG GLU A 25 7.020 2.312 2.470 1.00 27.49 C ATOM 73 CD GLU A 25 7.700 1.084 1.907 1.00 36.46 C ATOM 74 OE1 GLU A 25 8.936 0.915 2.025 1.00 31.48 O ATOM 75 OE2 GLU A 25 6.962 0.269 1.351 1.00 61.27 O ATOM 76 H GLU A 25 6.106 4.755 0.875 1.00 0.00 H ATOM 77 N THR A 26 7.971 6.975 2.029 1.00 15.85 N ATOM 78 CA THR A 26 8.918 8.100 2.019 1.00 12.70 C ATOM 79 C THR A 26 8.891 8.810 3.369 1.00 12.31 C ATOM 80 O THR A 26 7.835 9.140 3.880 1.00 13.64 O ATOM 81 CB THR A 26 8.534 9.086 0.913 1.00 13.66 C ATOM 82 OG1 THR A 26 8.517 8.366 -0.326 1.00 14.25 O ATOM 83 CG2 THR A 26 9.511 10.290 0.822 1.00 13.74 C ATOM 84 HG1 THR A 26 7.853 7.633 -0.272 1.00 0.00 H ATOM 85 H THR A 26 7.167 6.979 1.369 1.00 0.00 H ATOM 86 N LEU A 27 10.073 9.063 3.913 1.00 14.82 N ATOM 87 CA LEU A 27 10.217 9.725 5.212 1.00 13.47 C ATOM 88 C LEU A 27 10.415 11.220 4.935 1.00 10.56 C ATOM 89 O LEU A 27 11.288 11.580 4.085 1.00 9.73 O ATOM 90 CB LEU A 27 11.428 9.148 5.998 1.00 15.15 C ATOM 91 CG LEU A 27 11.035 8.042 6.981 1.00 32.54 C ATOM 92 CD1 LEU A 27 10.047 8.544 8.039 1.00 22.86 C ATOM 93 CD2 LEU A 27 10.451 6.846 6.252 1.00 40.50 C ATOM 94 H LEU A 27 10.931 8.781 3.398 1.00 0.00 H ATOM 95 N VAL A 28 9.670 12.073 5.649 1.00 10.54 N ATOM 96 CA VAL A 28 9.610 13.506 5.373 1.00 11.71 C ATOM 97 C VAL A 28 9.644 14.359 6.670 1.00 13.98 C ATOM 98 O VAL A 28 9.255 13.891 7.759 1.00 12.97 O ATOM 99 CB VAL A 28 8.357 13.886 4.551 1.00 14.88 C ATOM 100 CG1 VAL A 28 8.293 13.048 3.287 1.00 13.46 C ATOM 101 CG2 VAL A 28 7.076 13.692 5.382 1.00 16.73 C ATOM 102 H VAL A 28 9.107 11.697 6.438 1.00 0.00 H ATOM 103 N ARG A 29 10.209 15.546 6.544 1.00 13.90 N ATOM 104 CA ARG A 29 10.200 16.575 7.579 1.00 12.94 C ATOM 105 C ARG A 29 9.323 17.729 7.041 1.00 11.54 C ATOM 106 O ARG A 29 9.753 18.464 6.158 1.00 12.52 O ATOM 107 CB ARG A 29 11.630 17.025 7.870 1.00 13.37 C ATOM 108 CG ARG A 29 11.729 18.037 8.997 1.00 26.71 C ATOM 109 CD ARG A 29 13.153 18.484 9.273 1.00 22.20 C ATOM 110 NE ARG A 29 13.433 19.756 8.612 1.00 22.35 N ATOM 111 CZ ARG A 29 13.332 20.942 9.205 1.00 22.38 C ATOM 112 NH1 ARG A 29 12.959 21.025 10.473 1.00 22.25 N ATOM 113 NH2 ARG A 29 13.603 22.049 8.526 1.00 22.44 N ATOM 114 HE ARG A 29 13.730 19.733 7.616 1.00 0.00 H ATOM 115 HH12 ARG A 29 12.881 21.955 10.932 1.00 0.00 H ATOM 116 HH11 ARG A 29 12.744 20.160 11.009 1.00 0.00 H ATOM 117 HH22 ARG A 29 13.524 22.976 8.990 1.00 0.00 H ATOM 118 HH21 ARG A 29 13.895 21.990 7.529 1.00 0.00 H ATOM 119 H ARG A 29 10.692 15.762 5.649 1.00 0.00 H ATOM 120 N PRO A 30 8.121 17.918 7.596 1.00 12.88 N ATOM 121 CA PRO A 30 7.310 19.047 7.158 1.00 12.83 C ATOM 122 C PRO A 30 7.900 20.421 7.462 1.00 10.91 C ATOM 123 O PRO A 30 8.548 20.663 8.495 1.00 12.04 O ATOM 124 CB PRO A 30 5.991 18.890 7.958 1.00 15.80 C ATOM 125 CG PRO A 30 5.964 17.464 8.400 1.00 23.84 C ATOM 126 CD PRO A 30 7.417 17.081 8.580 1.00 17.22 C ATOM 127 N LYS A 31 7.621 21.338 6.536 1.00 11.81 N ATOM 128 CA LYS A 31 7.914 22.716 6.691 1.00 11.95 C ATOM 129 C LYS A 31 6.931 23.273 7.726 1.00 13.68 C ATOM 130 O LYS A 31 5.927 22.625 8.009 1.00 14.43 O ATOM 131 CB LYS A 31 7.795 23.459 5.337 1.00 12.02 C ATOM 132 CG LYS A 31 8.845 22.989 4.316 1.00 12.26 C ATOM 133 CD LYS A 31 8.722 23.724 2.997 1.00 14.65 C ATOM 134 CE LYS A 31 9.735 23.168 1.989 1.00 15.51 C ATOM 135 NZ LYS A 31 9.644 23.874 0.688 1.00 19.83 N ATOM 136 HZ1 LYS A 31 8.688 23.755 0.297 1.00 0.00 H ATOM 137 HZ2 LYS A 31 9.839 24.886 0.830 1.00 0.00 H ATOM 138 HZ3 LYS A 31 10.342 23.474 0.029 1.00 0.00 H ATOM 139 H LYS A 31 7.165 21.027 5.655 1.00 0.00 H ATOM 140 N PRO A 32 7.188 24.482 8.207 1.00 12.18 N ATOM 141 CA PRO A 32 6.419 24.976 9.364 1.00 17.61 C ATOM 142 C PRO A 32 4.902 25.041 9.232 1.00 16.57 C ATOM 143 O PRO A 32 4.206 24.634 10.171 1.00 16.12 O ATOM 144 CB PRO A 32 6.991 26.366 9.584 1.00 17.86 C ATOM 145 CG PRO A 32 8.436 26.243 9.201 1.00 19.91 C ATOM 146 CD PRO A 32 8.441 25.278 8.038 1.00 13.94 C ATOM 147 N LEU A 33 4.373 25.525 8.107 1.00 15.80 N ATOM 148 CA LEU A 33 2.931 25.583 7.964 1.00 17.45 C ATOM 149 C LEU A 33 2.287 24.194 7.867 1.00 20.16 C ATOM 150 O LEU A 33 1.216 23.958 8.470 1.00 17.07 O ATOM 151 CB LEU A 33 2.570 26.441 6.740 1.00 21.36 C ATOM 152 CG LEU A 33 1.072 26.651 6.542 1.00 30.87 C ATOM 153 CD1 LEU A 33 0.597 27.399 7.785 1.00 37.09 C ATOM 154 CD2 LEU A 33 0.804 27.413 5.255 1.00 39.47 C ATOM 155 H LEU A 33 4.990 25.858 7.339 1.00 0.00 H ATOM 156 N LEU A 34 2.892 23.267 7.111 1.00 14.04 N ATOM 157 CA LEU A 34 2.423 21.894 7.101 1.00 14.44 C ATOM 158 C LEU A 34 2.463 21.272 8.502 1.00 14.67 C ATOM 159 O LEU A 34 1.481 20.629 8.930 1.00 15.18 O ATOM 160 CB LEU A 34 3.156 21.018 6.097 1.00 15.97 C ATOM 161 CG LEU A 34 2.746 19.553 6.107 1.00 16.33 C ATOM 162 CD1 LEU A 34 1.266 19.395 5.764 1.00 18.56 C ATOM 163 CD2 LEU A 34 3.607 18.721 5.113 1.00 17.00 C ATOM 164 H LEU A 34 3.708 23.535 6.524 1.00 0.00 H ATOM 165 N LEU A 35 3.549 21.505 9.229 1.00 13.07 N ATOM 166 CA LEU A 35 3.665 20.993 10.593 1.00 11.95 C ATOM 167 C LEU A 35 2.562 21.534 11.495 1.00 17.57 C ATOM 168 O LEU A 35 1.985 20.780 12.262 1.00 15.92 O ATOM 169 CB LEU A 35 5.047 21.274 11.174 1.00 13.04 C ATOM 170 CG LEU A 35 5.320 20.829 12.596 1.00 18.49 C ATOM 171 CD1 LEU A 35 5.184 19.306 12.643 1.00 24.94 C ATOM 172 CD2 LEU A 35 6.709 21.300 12.995 1.00 24.28 C ATOM 173 H LEU A 35 4.329 22.060 8.822 1.00 0.00 H ATOM 174 N LYS A 36 2.283 22.838 11.389 1.00 14.97 N ATOM 175 CA LYS A 36 1.149 23.442 12.096 1.00 14.86 C ATOM 176 C LYS A 36 -0.169 22.701 11.822 1.00 15.38 C ATOM 177 O LYS A 36 -0.926 22.381 12.799 1.00 16.56 O ATOM 178 CB LYS A 36 1.047 24.929 11.683 1.00 15.99 C ATOM 179 CG LYS A 36 -0.030 25.718 12.399 1.00 22.01 C ATOM 180 CD LYS A 36 -0.047 27.157 11.878 1.00 32.63 C ATOM 181 CE LYS A 36 -1.258 27.920 12.400 1.00 38.84 C ATOM 182 NZ LYS A 36 -1.304 27.867 13.887 1.00 34.16 N ATOM 183 HZ1 LYS A 36 -1.369 26.876 14.196 1.00 0.00 H ATOM 184 HZ2 LYS A 36 -0.440 28.296 14.275 1.00 0.00 H ATOM 185 HZ3 LYS A 36 -2.135 28.392 14.226 1.00 0.00 H ATOM 186 H LYS A 36 2.885 23.438 10.790 1.00 0.00 H ATOM 187 N LEU A 37 -0.450 22.405 10.556 1.00 15.26 N ATOM 188 CA LEU A 37 -1.675 21.659 10.180 1.00 17.81 C ATOM 189 C LEU A 37 -1.703 20.243 10.757 1.00 19.01 C ATOM 190 O LEU A 37 -2.709 19.795 11.337 1.00 18.62 O ATOM 191 CB LEU A 37 -1.831 21.600 8.674 1.00 24.56 C ATOM 192 CG LEU A 37 -3.197 21.150 8.174 1.00 22.91 C ATOM 193 CD1 LEU A 37 -3.422 21.774 6.804 1.00 21.25 C ATOM 194 CD2 LEU A 37 -3.339 19.647 8.151 1.00 23.59 C ATOM 195 H LEU A 37 0.208 22.705 9.809 1.00 0.00 H ATOM 196 N LEU A 38 -0.577 19.551 10.627 1.00 15.54 N ATOM 197 CA LEU A 38 -0.445 18.237 11.170 1.00 15.78 C ATOM 198 C LEU A 38 -0.655 18.164 12.680 1.00 15.77 C ATOM 199 O LEU A 38 -1.299 17.224 13.182 1.00 14.74 O ATOM 200 CB LEU A 38 0.921 17.653 10.804 1.00 14.63 C ATOM 201 CG LEU A 38 1.114 17.369 9.310 1.00 16.26 C ATOM 202 CD1 LEU A 38 2.542 16.857 9.075 1.00 14.66 C ATOM 203 CD2 LEU A 38 0.113 16.344 8.755 1.00 20.70 C ATOM 204 H LEU A 38 0.225 19.975 10.119 1.00 0.00 H ATOM 205 N LYS A 39 -0.123 19.127 13.434 1.00 14.75 N ATOM 206 CA LYS A 39 -0.233 19.137 14.887 1.00 13.21 C ATOM 207 C LYS A 39 -1.673 19.390 15.359 1.00 12.87 C ATOM 208 O LYS A 39 -1.990 19.074 16.508 1.00 14.54 O ATOM 209 CB LYS A 39 0.709 20.175 15.490 1.00 17.11 C ATOM 210 CG LYS A 39 2.171 19.775 15.369 1.00 21.31 C ATOM 211 CD LYS A 39 3.072 21.015 15.513 1.00 21.42 C ATOM 212 CE LYS A 39 2.895 21.732 16.843 1.00 22.54 C ATOM 213 NZ LYS A 39 4.048 22.622 17.154 1.00 22.47 N ATOM 214 HZ1 LYS A 39 4.919 22.055 17.203 1.00 0.00 H ATOM 215 HZ2 LYS A 39 4.142 23.340 16.407 1.00 0.00 H ATOM 216 HZ3 LYS A 39 3.886 23.090 18.068 1.00 0.00 H ATOM 217 H LYS A 39 0.391 19.901 12.967 1.00 0.00 H ATOM 218 N SER A 40 -2.519 19.929 14.489 1.00 16.70 N ATOM 219 CA SER A 40 -3.939 20.119 14.837 1.00 20.36 C ATOM 220 C SER A 40 -4.778 18.829 14.739 1.00 18.37 C ATOM 221 O SER A 40 -5.927 18.810 15.216 1.00 18.54 O ATOM 222 CB SER A 40 -4.561 21.285 14.001 1.00 21.45 C ATOM 223 OG SER A 40 -4.831 20.833 12.731 1.00 22.09 O ATOM 224 HG SER A 40 -3.991 20.528 12.305 1.00 0.00 H ATOM 225 H SER A 40 -2.176 20.220 13.551 1.00 0.00 H ATOM 226 N VAL A 41 -4.208 17.750 14.170 1.00 13.79 N ATOM 227 CA VAL A 41 -4.858 16.435 14.078 1.00 15.80 C ATOM 228 C VAL A 41 -4.070 15.266 14.591 1.00 21.85 C ATOM 229 O VAL A 41 -4.614 14.215 14.785 1.00 24.20 O ATOM 230 CB VAL A 41 -5.283 16.069 12.621 1.00 19.93 C ATOM 231 CG1 VAL A 41 -6.514 16.874 12.235 1.00 24.21 C ATOM 232 CG2 VAL A 41 -4.163 16.336 11.615 1.00 18.37 C ATOM 233 H VAL A 41 -3.252 17.853 13.773 1.00 0.00 H ATOM 234 N GLY A 42 -2.767 15.393 14.774 1.00 19.97 N ATOM 235 CA GLY A 42 -1.989 14.187 15.149 1.00 22.17 C ATOM 236 C GLY A 42 -0.887 14.553 16.097 1.00 21.95 C ATOM 237 O GLY A 42 -0.577 15.710 16.221 1.00 25.99 O ATOM 238 H GLY A 42 -2.299 16.315 14.658 1.00 0.00 H ATOM 239 N ALA A 43 -0.263 13.555 16.706 1.00 25.64 N ATOM 240 CA ALA A 43 0.916 13.757 17.559 1.00 30.47 C ATOM 241 C ALA A 43 2.079 14.408 16.795 1.00 22.69 C ATOM 242 O ALA A 43 2.282 14.149 15.614 1.00 27.55 O ATOM 243 CB ALA A 43 1.363 12.440 18.193 1.00 27.16 C ATOM 244 H ALA A 43 -0.623 12.588 16.575 1.00 0.00 H ATOM 245 N GLN A 44 2.808 15.268 17.494 1.00 23.34 N ATOM 246 CA GLN A 44 3.916 15.973 16.912 1.00 27.64 C ATOM 247 C GLN A 44 5.088 15.066 17.000 1.00 20.09 C ATOM 248 O GLN A 44 5.372 14.522 18.054 1.00 19.54 O ATOM 249 CB GLN A 44 4.256 17.269 17.646 1.00 45.67 C ATOM 250 CG GLN A 44 5.532 17.934 17.117 1.00 50.91 C ATOM 251 CD GLN A 44 5.589 19.432 17.371 1.00 84.40 C ATOM 252 OE1 GLN A 44 4.981 19.943 18.315 1.00107.95 O ATOM 253 NE2 GLN A 44 6.331 20.144 16.526 1.00 73.54 N ATOM 254 HE22 GLN A 44 6.827 19.671 15.744 1.00 0.00 H ATOM 255 HE21 GLN A 44 6.415 21.173 16.648 1.00 0.00 H ATOM 256 H GLN A 44 2.570 15.437 18.492 1.00 0.00 H ATOM 257 N LYS A 45 5.753 14.911 15.875 1.00 18.12 N ATOM 258 CA LYS A 45 7.083 14.364 15.845 1.00 17.99 C ATOM 259 C LYS A 45 7.863 15.076 14.746 1.00 23.44 C ATOM 260 O LYS A 45 7.288 15.838 13.992 1.00 29.76 O ATOM 261 CB LYS A 45 7.055 12.868 15.647 1.00 23.41 C ATOM 262 CG LYS A 45 6.107 12.341 14.620 1.00 21.15 C ATOM 263 CD LYS A 45 6.171 10.819 14.702 1.00 32.71 C ATOM 264 CE LYS A 45 5.220 10.131 13.750 1.00 27.77 C ATOM 265 NZ LYS A 45 5.701 8.769 13.426 1.00 29.97 N ATOM 266 HZ1 LYS A 45 6.639 8.831 12.980 1.00 0.00 H ATOM 267 HZ2 LYS A 45 5.767 8.209 14.300 1.00 0.00 H ATOM 268 HZ3 LYS A 45 5.034 8.314 12.771 1.00 0.00 H ATOM 269 H LYS A 45 5.303 15.193 14.981 1.00 0.00 H ATOM 270 N ASP A 46 9.180 14.892 14.752 1.00 32.71 N ATOM 271 CA ASP A 46 10.045 15.559 13.771 1.00 37.81 C ATOM 272 C ASP A 46 9.782 15.031 12.344 1.00 25.93 C ATOM 273 O ASP A 46 9.593 15.823 11.424 1.00 31.83 O ATOM 274 CB ASP A 46 11.533 15.435 14.155 1.00 49.16 C ATOM 275 CG ASP A 46 11.965 13.999 14.430 1.00 58.08 C ATOM 276 OD1 ASP A 46 11.078 13.132 14.630 1.00 75.68 O ATOM 277 OD2 ASP A 46 13.191 13.741 14.457 1.00 87.47 O ATOM 278 H ASP A 46 9.605 14.264 15.464 1.00 0.00 H ATOM 279 N THR A 47 9.748 13.704 12.223 1.00 22.79 N ATOM 280 CA THR A 47 9.719 13.007 10.934 1.00 24.04 C ATOM 281 C THR A 47 8.407 12.231 10.830 1.00 20.72 C ATOM 282 O THR A 47 7.939 11.697 11.825 1.00 23.80 O ATOM 283 CB THR A 47 10.893 12.019 10.851 1.00 25.70 C ATOM 284 OG1 THR A 47 12.115 12.742 11.026 1.00 32.86 O ATOM 285 CG2 THR A 47 10.959 11.325 9.499 1.00 25.83 C ATOM 286 HG1 THR A 47 12.879 12.114 10.974 1.00 0.00 H ATOM 287 H THR A 47 9.742 13.132 13.091 1.00 0.00 H ATOM 288 N TYR A 48 7.856 12.159 9.623 1.00 15.81 N ATOM 289 CA TYR A 48 6.631 11.395 9.328 1.00 14.70 C ATOM 290 C TYR A 48 6.888 10.572 8.079 1.00 21.59 C ATOM 291 O TYR A 48 7.761 10.926 7.288 1.00 18.30 O ATOM 292 CB TYR A 48 5.485 12.359 9.031 1.00 14.87 C ATOM 293 CG TYR A 48 5.086 13.195 10.214 1.00 13.93 C ATOM 294 CD1 TYR A 48 5.735 14.395 10.507 1.00 17.06 C ATOM 295 CD2 TYR A 48 4.014 12.819 11.013 1.00 19.88 C ATOM 296 CE1 TYR A 48 5.375 15.165 11.600 1.00 14.43 C ATOM 297 CE2 TYR A 48 3.649 13.591 12.114 1.00 22.72 C ATOM 298 CZ TYR A 48 4.324 14.755 12.414 1.00 23.36 C ATOM 299 OH TYR A 48 3.935 15.510 13.517 1.00 20.28 O ATOM 300 HH TYR A 48 4.019 14.962 14.337 1.00 0.00 H ATOM 301 H TYR A 48 8.315 12.671 8.843 1.00 0.00 H ATOM 302 N THR A 49 6.145 9.484 7.900 1.00 14.67 N ATOM 303 CA THR A 49 6.052 8.832 6.586 1.00 16.24 C ATOM 304 C THR A 49 5.011 9.576 5.731 1.00 16.62 C ATOM 305 O THR A 49 4.124 10.270 6.267 1.00 14.30 O ATOM 306 CB THR A 49 5.630 7.371 6.697 1.00 16.96 C ATOM 307 OG1 THR A 49 4.302 7.288 7.253 1.00 14.95 O ATOM 308 CG2 THR A 49 6.624 6.560 7.522 1.00 18.62 C ATOM 309 HG1 THR A 49 3.668 7.769 6.664 1.00 0.00 H ATOM 310 H THR A 49 5.620 9.087 8.705 1.00 0.00 H ATOM 311 N MET A 50 5.073 9.418 4.407 1.00 13.41 N ATOM 312 CA MET A 50 4.045 9.987 3.560 1.00 11.87 C ATOM 313 C MET A 50 2.679 9.372 3.848 1.00 12.18 C ATOM 314 O MET A 50 1.671 10.074 3.810 1.00 14.66 O ATOM 315 CB MET A 50 4.414 9.911 2.071 1.00 12.71 C ATOM 316 CG MET A 50 5.390 11.004 1.681 1.00 11.60 C ATOM 317 SD MET A 50 4.687 12.671 1.813 1.00 17.56 S ATOM 318 CE MET A 50 3.088 12.206 1.130 1.00 13.05 C ATOM 319 H MET A 50 5.860 8.886 3.983 1.00 0.00 H ATOM 320 N LYS A 51 2.644 8.086 4.196 1.00 13.98 N ATOM 321 CA LYS A 51 1.393 7.474 4.659 1.00 13.16 C ATOM 322 C LYS A 51 0.781 8.280 5.819 1.00 13.62 C ATOM 323 O LYS A 51 -0.430 8.594 5.820 1.00 13.15 O ATOM 324 CB LYS A 51 1.582 6.007 5.117 1.00 15.74 C ATOM 325 CG LYS A 51 0.322 5.390 5.746 1.00 16.90 C ATOM 326 CD LYS A 51 0.548 3.937 6.121 1.00 21.70 C ATOM 327 CE LYS A 51 -0.635 3.369 6.881 1.00 26.34 C ATOM 328 NZ LYS A 51 -0.648 1.887 6.909 1.00 26.38 N ATOM 329 HZ1 LYS A 51 -0.693 1.523 5.936 1.00 0.00 H ATOM 330 HZ2 LYS A 51 0.219 1.543 7.369 1.00 0.00 H ATOM 331 HZ3 LYS A 51 -1.479 1.559 7.442 1.00 0.00 H ATOM 332 H LYS A 51 3.509 7.512 4.139 1.00 0.00 H ATOM 333 N GLU A 52 1.592 8.620 6.815 1.00 14.39 N ATOM 334 CA GLU A 52 1.086 9.470 7.910 1.00 13.18 C ATOM 335 C GLU A 52 0.620 10.845 7.452 1.00 13.07 C ATOM 336 O GLU A 52 -0.455 11.309 7.848 1.00 14.51 O ATOM 337 CB GLU A 52 2.142 9.628 8.995 1.00 14.10 C ATOM 338 CG GLU A 52 2.435 8.374 9.776 1.00 14.77 C ATOM 339 CD GLU A 52 3.606 8.576 10.736 1.00 23.23 C ATOM 340 OE1 GLU A 52 4.668 9.081 10.304 1.00 17.11 O ATOM 341 OE2 GLU A 52 3.455 8.249 11.929 1.00 22.51 O ATOM 342 H GLU A 52 2.578 8.289 6.823 1.00 0.00 H ATOM 343 N VAL A 53 1.405 11.535 6.624 1.00 11.93 N ATOM 344 CA VAL A 53 1.053 12.848 6.145 1.00 14.41 C ATOM 345 C VAL A 53 -0.293 12.784 5.404 1.00 14.02 C ATOM 346 O VAL A 53 -1.163 13.587 5.648 1.00 14.62 O ATOM 347 CB VAL A 53 2.123 13.480 5.283 1.00 15.67 C ATOM 348 CG1 VAL A 53 1.615 14.769 4.654 1.00 15.93 C ATOM 349 CG2 VAL A 53 3.397 13.714 6.121 1.00 16.69 C ATOM 350 H VAL A 53 2.302 11.111 6.313 1.00 0.00 H ATOM 351 N LEU A 54 -0.490 11.754 4.583 1.00 14.24 N ATOM 352 CA LEU A 54 -1.771 11.636 3.831 1.00 14.11 C ATOM 353 C LEU A 54 -2.950 11.314 4.743 1.00 13.49 C ATOM 354 O LEU A 54 -4.056 11.835 4.547 1.00 15.43 O ATOM 355 CB LEU A 54 -1.661 10.594 2.735 1.00 13.49 C ATOM 356 CG LEU A 54 -0.759 10.959 1.579 1.00 20.00 C ATOM 357 CD1 LEU A 54 -0.352 9.627 0.886 1.00 22.09 C ATOM 358 CD2 LEU A 54 -1.489 11.938 0.716 1.00 18.46 C ATOM 359 H LEU A 54 0.250 11.032 4.467 1.00 0.00 H ATOM 360 N PHE A 55 -2.722 10.520 5.767 1.00 13.78 N ATOM 361 CA PHE A 55 -3.773 10.198 6.706 1.00 11.92 C ATOM 362 C PHE A 55 -4.183 11.448 7.467 1.00 11.43 C ATOM 363 O PHE A 55 -5.372 11.733 7.582 1.00 14.14 O ATOM 364 CB PHE A 55 -3.348 9.133 7.695 1.00 12.16 C ATOM 365 CG PHE A 55 -4.305 8.971 8.824 1.00 15.15 C ATOM 366 CD1 PHE A 55 -5.497 8.317 8.620 1.00 17.60 C ATOM 367 CD2 PHE A 55 -4.028 9.522 10.083 1.00 15.52 C ATOM 368 CE1 PHE A 55 -6.404 8.164 9.649 1.00 17.62 C ATOM 369 CE2 PHE A 55 -4.926 9.369 11.125 1.00 16.23 C ATOM 370 CZ PHE A 55 -6.122 8.682 10.908 1.00 18.35 C ATOM 371 H PHE A 55 -1.772 10.118 5.903 1.00 0.00 H ATOM 372 N TYR A 56 -3.195 12.141 8.016 1.00 11.75 N ATOM 373 CA TYR A 56 -3.486 13.304 8.868 1.00 15.19 C ATOM 374 C TYR A 56 -4.122 14.431 8.057 1.00 15.25 C ATOM 375 O TYR A 56 -5.116 15.019 8.495 1.00 13.49 O ATOM 376 CB TYR A 56 -2.250 13.780 9.637 1.00 15.74 C ATOM 377 CG TYR A 56 -1.807 12.848 10.753 1.00 12.71 C ATOM 378 CD1 TYR A 56 -2.686 12.425 11.739 1.00 14.19 C ATOM 379 CD2 TYR A 56 -0.496 12.424 10.856 1.00 14.29 C ATOM 380 CE1 TYR A 56 -2.282 11.612 12.768 1.00 13.78 C ATOM 381 CE2 TYR A 56 -0.084 11.592 11.879 1.00 13.37 C ATOM 382 CZ TYR A 56 -0.983 11.170 12.830 1.00 15.78 C ATOM 383 OH TYR A 56 -0.619 10.373 13.873 1.00 18.28 O ATOM 384 HH TYR A 56 -1.411 10.187 14.437 1.00 0.00 H ATOM 385 H TYR A 56 -2.209 11.861 7.843 1.00 0.00 H ATOM 386 N LEU A 57 -3.624 14.690 6.841 1.00 13.34 N ATOM 387 CA LEU A 57 -4.257 15.718 5.985 1.00 13.78 C ATOM 388 C LEU A 57 -5.677 15.300 5.624 1.00 13.82 C ATOM 389 O LEU A 57 -6.575 16.133 5.589 1.00 13.78 O ATOM 390 CB LEU A 57 -3.434 15.992 4.735 1.00 14.88 C ATOM 391 CG LEU A 57 -2.159 16.804 4.980 1.00 16.67 C ATOM 392 CD1 LEU A 57 -1.349 16.929 3.708 1.00 19.78 C ATOM 393 CD2 LEU A 57 -2.464 18.222 5.476 1.00 20.78 C ATOM 394 H LEU A 57 -2.792 14.168 6.498 1.00 0.00 H ATOM 395 N GLY A 58 -5.882 14.045 5.302 1.00 12.87 N ATOM 396 CA GLY A 58 -7.240 13.548 5.066 1.00 12.70 C ATOM 397 C GLY A 58 -8.128 13.765 6.248 1.00 13.12 C ATOM 398 O GLY A 58 -9.310 14.118 6.099 1.00 13.23 O ATOM 399 H GLY A 58 -5.073 13.397 5.213 1.00 0.00 H ATOM 400 N GLN A 59 -7.639 13.460 7.454 1.00 13.48 N ATOM 401 CA GLN A 59 -8.470 13.673 8.634 1.00 14.20 C ATOM 402 C GLN A 59 -8.737 15.149 8.899 1.00 12.86 C ATOM 403 O GLN A 59 -9.833 15.507 9.346 1.00 14.67 O ATOM 404 CB GLN A 59 -7.845 13.046 9.863 1.00 15.18 C ATOM 405 CG GLN A 59 -7.923 11.516 9.880 1.00 17.28 C ATOM 406 CD GLN A 59 -9.335 10.961 9.967 1.00 18.23 C ATOM 407 OE1 GLN A 59 -10.205 11.514 10.651 1.00 22.68 O ATOM 408 NE2 GLN A 59 -9.576 9.865 9.244 1.00 23.46 N ATOM 409 HE22 GLN A 59 -8.813 9.434 8.684 1.00 0.00 H ATOM 410 HE21 GLN A 59 -10.526 9.442 9.241 1.00 0.00 H ATOM 411 H GLN A 59 -6.678 13.075 7.550 1.00 0.00 H ATOM 412 N TYR A 60 -7.770 15.993 8.614 1.00 11.36 N ATOM 413 CA TYR A 60 -7.952 17.443 8.733 1.00 13.76 C ATOM 414 C TYR A 60 -9.091 17.929 7.827 1.00 13.91 C ATOM 415 O TYR A 60 -10.030 18.599 8.252 1.00 13.58 O ATOM 416 CB TYR A 60 -6.640 18.160 8.388 1.00 13.47 C ATOM 417 CG TYR A 60 -6.717 19.645 8.402 1.00 12.68 C ATOM 418 CD1 TYR A 60 -6.454 20.360 9.551 1.00 13.94 C ATOM 419 CD2 TYR A 60 -6.994 20.362 7.226 1.00 14.53 C ATOM 420 CE1 TYR A 60 -6.533 21.749 9.582 1.00 14.68 C ATOM 421 CE2 TYR A 60 -7.070 21.736 7.261 1.00 13.17 C ATOM 422 CZ TYR A 60 -6.843 22.417 8.440 1.00 15.40 C ATOM 423 OH TYR A 60 -6.951 23.781 8.473 1.00 15.08 O ATOM 424 HH TYR A 60 -7.870 24.044 8.216 1.00 0.00 H ATOM 425 H TYR A 60 -6.852 15.622 8.296 1.00 0.00 H ATOM 426 N ILE A 61 -9.007 17.506 6.576 1.00 13.79 N ATOM 427 CA ILE A 61 -10.052 17.790 5.602 1.00 12.74 C ATOM 428 C ILE A 61 -11.418 17.292 6.028 1.00 14.44 C ATOM 429 O ILE A 61 -12.408 18.041 5.940 1.00 14.59 O ATOM 430 CB ILE A 61 -9.666 17.170 4.223 1.00 12.29 C ATOM 431 CG1 ILE A 61 -8.492 17.947 3.619 1.00 13.94 C ATOM 432 CG2 ILE A 61 -10.881 17.161 3.284 1.00 13.85 C ATOM 433 CD1 ILE A 61 -7.766 17.237 2.450 1.00 14.18 C ATOM 434 H ILE A 61 -8.174 16.957 6.281 1.00 0.00 H ATOM 435 N MET A 62 -11.499 16.051 6.494 1.00 13.00 N ATOM 436 CA MET A 62 -12.803 15.453 6.829 1.00 12.86 C ATOM 437 C MET A 62 -13.421 16.107 8.050 1.00 12.75 C ATOM 438 O MET A 62 -14.583 16.546 8.013 1.00 12.78 O ATOM 439 CB MET A 62 -12.684 13.935 7.040 1.00 14.39 C ATOM 440 CG MET A 62 -12.530 13.173 5.733 1.00 17.55 C ATOM 441 SD MET A 62 -13.913 13.466 4.613 1.00 22.32 S ATOM 442 CE MET A 62 -15.278 12.911 5.643 1.00 26.20 C ATOM 443 H MET A 62 -10.630 15.494 6.624 1.00 0.00 H ATOM 444 N THR A 63 -12.644 16.207 9.119 1.00 14.73 N ATOM 445 CA THR A 63 -13.175 16.773 10.355 1.00 12.41 C ATOM 446 C THR A 63 -13.659 18.212 10.148 1.00 14.62 C ATOM 447 O THR A 63 -14.741 18.573 10.664 1.00 14.89 O ATOM 448 CB THR A 63 -12.150 16.714 11.483 1.00 14.25 C ATOM 449 OG1 THR A 63 -10.981 17.459 11.125 1.00 15.89 O ATOM 450 CG2 THR A 63 -11.812 15.260 11.788 1.00 12.52 C ATOM 451 HG1 THR A 63 -10.584 17.074 10.304 1.00 0.00 H ATOM 452 H THR A 63 -11.657 15.882 9.077 1.00 0.00 H ATOM 453 N LYS A 64 -12.877 19.006 9.407 1.00 13.79 N ATOM 454 CA LYS A 64 -13.260 20.397 9.056 1.00 13.41 C ATOM 455 C LYS A 64 -14.286 20.561 7.948 1.00 16.27 C ATOM 456 O LYS A 64 -14.707 21.695 7.654 1.00 16.01 O ATOM 457 CB LYS A 64 -12.039 21.237 8.747 1.00 15.03 C ATOM 458 CG LYS A 64 -11.156 21.428 9.961 1.00 17.47 C ATOM 459 CD LYS A 64 -10.114 22.498 9.746 1.00 15.46 C ATOM 460 CE LYS A 64 -10.653 23.916 10.083 1.00 14.56 C ATOM 461 NZ LYS A 64 -9.625 24.970 9.811 1.00 14.50 N ATOM 462 HZ1 LYS A 64 -8.783 24.789 10.394 1.00 0.00 H ATOM 463 HZ2 LYS A 64 -9.364 24.946 8.805 1.00 0.00 H ATOM 464 HZ3 LYS A 64 -10.017 25.904 10.047 1.00 0.00 H ATOM 465 H LYS A 64 -11.968 18.635 9.064 1.00 0.00 H ATOM 466 N ARG A 65 -14.746 19.447 7.379 1.00 13.94 N ATOM 467 CA ARG A 65 -15.815 19.414 6.366 1.00 14.45 C ATOM 468 C ARG A 65 -15.435 20.264 5.136 1.00 15.91 C ATOM 469 O ARG A 65 -16.288 20.950 4.535 1.00 16.86 O ATOM 470 CB ARG A 65 -17.189 19.785 6.942 1.00 17.67 C ATOM 471 CG ARG A 65 -17.739 18.747 7.913 1.00 25.37 C ATOM 472 CD ARG A 65 -19.175 19.123 8.268 1.00 39.16 C ATOM 473 NE ARG A 65 -19.808 18.298 9.314 1.00 38.58 N ATOM 474 CZ ARG A 65 -19.770 18.541 10.630 1.00 39.08 C ATOM 475 NH1 ARG A 65 -19.077 19.546 11.155 1.00 41.15 N ATOM 476 NH2 ARG A 65 -20.410 17.722 11.447 1.00 38.97 N ATOM 477 HE ARG A 65 -20.329 17.454 9.002 1.00 0.00 H ATOM 478 HH12 ARG A 65 -19.077 19.696 12.184 1.00 0.00 H ATOM 479 HH11 ARG A 65 -18.535 20.182 10.537 1.00 0.00 H ATOM 480 HH22 ARG A 65 -20.393 17.893 12.473 1.00 0.00 H ATOM 481 HH21 ARG A 65 -20.930 16.907 11.064 1.00 0.00 H ATOM 482 H ARG A 65 -14.323 18.542 7.669 1.00 0.00 H ATOM 483 N LEU A 66 -14.165 20.189 4.761 1.00 14.25 N ATOM 484 CA LEU A 66 -13.700 20.888 3.563 1.00 12.43 C ATOM 485 C LEU A 66 -14.006 20.119 2.259 1.00 15.97 C ATOM 486 O LEU A 66 -13.896 20.689 1.189 1.00 17.81 O ATOM 487 CB LEU A 66 -12.221 21.201 3.633 1.00 12.55 C ATOM 488 CG LEU A 66 -11.710 21.962 4.864 1.00 14.30 C ATOM 489 CD1 LEU A 66 -10.233 22.174 4.735 1.00 18.40 C ATOM 490 CD2 LEU A 66 -12.441 23.290 5.027 1.00 15.88 C ATOM 491 H LEU A 66 -13.494 19.628 5.324 1.00 0.00 H ATOM 492 N TYR A 67 -14.403 18.846 2.360 1.00 15.25 N ATOM 493 CA TYR A 67 -14.604 17.919 1.213 1.00 18.39 C ATOM 494 C TYR A 67 -16.064 17.744 0.840 1.00 21.00 C ATOM 495 O TYR A 67 -16.888 17.302 1.655 1.00 23.08 O ATOM 496 CB TYR A 67 -13.979 16.554 1.560 1.00 16.66 C ATOM 497 CG TYR A 67 -14.129 15.441 0.549 1.00 20.05 C ATOM 498 CD1 TYR A 67 -13.891 15.663 -0.813 1.00 23.39 C ATOM 499 CD2 TYR A 67 -14.408 14.136 0.962 1.00 22.46 C ATOM 500 CE1 TYR A 67 -13.986 14.628 -1.726 1.00 24.51 C ATOM 501 CE2 TYR A 67 -14.504 13.100 0.042 1.00 25.98 C ATOM 502 CZ TYR A 67 -14.288 13.357 -1.303 1.00 30.61 C ATOM 503 OH TYR A 67 -14.366 12.343 -2.245 1.00 32.80 O ATOM 504 HH TYR A 67 -14.183 12.715 -3.144 1.00 0.00 H ATOM 505 H TYR A 67 -14.585 18.475 3.314 1.00 0.00 H ATOM 506 N ASP A 68 -16.379 18.091 -0.407 1.00 19.72 N ATOM 507 CA ASP A 68 -17.696 17.932 -0.984 1.00 28.68 C ATOM 508 C ASP A 68 -17.676 16.700 -1.908 1.00 31.33 C ATOM 509 O ASP A 68 -17.415 16.809 -3.117 1.00 22.56 O ATOM 510 CB ASP A 68 -18.063 19.242 -1.718 1.00 30.01 C ATOM 511 CG ASP A 68 -19.546 19.491 -1.770 1.00 47.24 C ATOM 512 OD1 ASP A 68 -20.309 18.513 -1.740 1.00 49.05 O ATOM 513 OD2 ASP A 68 -19.947 20.668 -1.871 1.00 37.09 O ATOM 514 H ASP A 68 -15.632 18.502 -1.003 1.00 0.00 H ATOM 515 N GLU A 69 -17.960 15.536 -1.314 1.00 24.09 N ATOM 516 CA GLU A 69 -17.837 14.233 -1.970 1.00 32.43 C ATOM 517 C GLU A 69 -18.887 14.041 -3.047 1.00 47.04 C ATOM 518 O GLU A 69 -18.558 13.717 -4.196 1.00 51.46 O ATOM 519 CB GLU A 69 -17.969 13.102 -0.944 1.00 31.24 C ATOM 520 CG GLU A 69 -17.765 11.692 -1.463 1.00 31.53 C ATOM 521 CD GLU A 69 -17.801 10.634 -0.375 1.00 31.29 C ATOM 522 OE1 GLU A 69 -17.120 10.803 0.659 1.00 30.70 O ATOM 523 OE2 GLU A 69 -18.508 9.621 -0.559 1.00 31.20 O ATOM 524 H GLU A 69 -18.288 15.558 -0.327 1.00 0.00 H ATOM 525 N LYS A 70 -20.148 14.247 -2.662 1.00 54.96 N ATOM 526 CA LYS A 70 -21.282 14.226 -3.582 1.00 51.48 C ATOM 527 C LYS A 70 -21.371 15.576 -4.303 1.00 52.90 C ATOM 528 O LYS A 70 -22.405 16.244 -4.248 1.00 60.97 O ATOM 529 CB LYS A 70 -22.582 13.934 -2.815 1.00 45.41 C ATOM 530 CG LYS A 70 -23.830 13.571 -3.511 1.00 51.54 C ATOM 531 CD LYS A 70 -24.018 12.060 -3.516 1.00 51.10 C ATOM 532 CE LYS A 70 -25.346 11.672 -4.147 1.00 50.83 C ATOM 533 NZ LYS A 70 -25.554 10.198 -4.151 1.00 50.69 N ATOM 534 HZ1 LYS A 70 -24.792 9.743 -4.693 1.00 0.00 H ATOM 535 HZ2 LYS A 70 -25.544 9.845 -3.173 1.00 0.00 H ATOM 536 HZ3 LYS A 70 -26.471 9.980 -4.590 1.00 0.00 H ATOM 537 H LYS A 70 -20.333 14.432 -1.655 1.00 0.00 H ATOM 538 N GLN A 71 -20.275 15.964 -4.966 1.00 51.46 N ATOM 539 CA GLN A 71 -20.157 17.241 -5.686 1.00 44.06 C ATOM 540 C GLN A 71 -18.825 17.361 -6.447 1.00 36.29 C ATOM 541 O GLN A 71 -17.995 18.276 -6.217 1.00 30.98 O ATOM 542 CB GLN A 71 -20.273 18.411 -4.741 1.00 47.39 C ATOM 543 CG GLN A 71 -20.483 19.722 -5.451 1.00 53.76 C ATOM 544 CD GLN A 71 -19.466 20.777 -5.057 1.00 45.91 C ATOM 545 OE1 GLN A 71 -19.735 21.626 -4.219 1.00 68.71 O ATOM 546 NE2 GLN A 71 -18.311 20.742 -5.687 1.00 29.82 N ATOM 547 HE22 GLN A 71 -18.126 20.001 -6.393 1.00 0.00 H ATOM 548 HE21 GLN A 71 -17.583 21.455 -5.479 1.00 0.00 H ATOM 549 H GLN A 71 -19.456 15.323 -4.972 1.00 0.00 H ATOM 550 N GLN A 72 -18.624 16.401 -7.334 1.00 24.47 N ATOM 551 CA GLN A 72 -17.423 16.293 -8.138 1.00 31.08 C ATOM 552 C GLN A 72 -16.148 16.016 -7.303 1.00 21.84 C ATOM 553 O GLN A 72 -15.050 16.200 -7.802 1.00 28.29 O ATOM 554 CB GLN A 72 -17.282 17.523 -9.065 1.00 29.99 C ATOM 555 CG GLN A 72 -18.414 17.631 -10.094 1.00 30.21 C ATOM 556 CD GLN A 72 -18.327 18.889 -10.944 1.00 29.89 C ATOM 557 OE1 GLN A 72 -19.341 19.530 -11.219 1.00 29.23 O ATOM 558 NE2 GLN A 72 -17.117 19.247 -11.366 1.00 29.38 N ATOM 559 HE22 GLN A 72 -16.287 18.676 -11.110 1.00 0.00 H ATOM 560 HE21 GLN A 72 -17.001 20.098 -11.952 1.00 0.00 H ATOM 561 H GLN A 72 -19.368 15.685 -7.461 1.00 0.00 H ATOM 562 N HIS A 73 -16.296 15.546 -6.047 1.00 20.77 N ATOM 563 CA HIS A 73 -15.184 15.056 -5.232 1.00 18.89 C ATOM 564 C HIS A 73 -14.127 16.118 -5.004 1.00 21.29 C ATOM 565 O HIS A 73 -12.926 15.851 -5.106 1.00 18.08 O ATOM 566 CB HIS A 73 -14.561 13.781 -5.826 1.00 19.86 C ATOM 567 CG HIS A 73 -15.438 12.567 -5.712 1.00 25.87 C ATOM 568 ND1 HIS A 73 -15.308 11.673 -4.705 1.00 28.83 N ATOM 569 CD2 HIS A 73 -16.473 12.114 -6.516 1.00 25.78 C ATOM 570 CE1 HIS A 73 -16.225 10.689 -4.876 1.00 24.33 C ATOM 571 NE2 HIS A 73 -16.943 10.975 -5.971 1.00 31.11 N ATOM 572 H HIS A 73 -17.251 15.531 -5.636 1.00 0.00 H ATOM 573 N ILE A 74 -14.585 17.315 -4.625 1.00 15.96 N ATOM 574 CA ILE A 74 -13.756 18.505 -4.596 1.00 14.47 C ATOM 575 C ILE A 74 -13.579 18.860 -3.122 1.00 13.61 C ATOM 576 O ILE A 74 -14.532 18.865 -2.372 1.00 14.00 O ATOM 577 CB ILE A 74 -14.412 19.693 -5.357 1.00 15.71 C ATOM 578 CG1 ILE A 74 -14.710 19.357 -6.821 1.00 20.32 C ATOM 579 CG2 ILE A 74 -13.561 20.950 -5.240 1.00 16.17 C ATOM 580 CD1 ILE A 74 -13.547 18.855 -7.647 1.00 29.93 C ATOM 581 H ILE A 74 -15.581 17.397 -4.338 1.00 0.00 H ATOM 582 N VAL A 75 -12.353 19.200 -2.785 1.00 11.65 N ATOM 583 CA VAL A 75 -12.007 19.832 -1.516 1.00 11.59 C ATOM 584 C VAL A 75 -11.947 21.342 -1.778 1.00 12.93 C ATOM 585 O VAL A 75 -11.280 21.778 -2.698 1.00 12.44 O ATOM 586 CB VAL A 75 -10.665 19.340 -0.956 1.00 14.17 C ATOM 587 CG1 VAL A 75 -10.174 20.213 0.194 1.00 14.04 C ATOM 588 CG2 VAL A 75 -10.761 17.851 -0.487 1.00 16.61 C ATOM 589 H VAL A 75 -11.587 19.007 -3.462 1.00 0.00 H ATOM 590 N TYR A 76 -12.645 22.096 -0.927 1.00 12.11 N ATOM 591 CA TYR A 76 -12.652 23.564 -0.986 1.00 10.88 C ATOM 592 C TYR A 76 -11.812 24.108 0.153 1.00 13.95 C ATOM 593 O TYR A 76 -12.079 23.793 1.313 1.00 14.73 O ATOM 594 CB TYR A 76 -14.064 24.074 -0.921 1.00 11.18 C ATOM 595 CG TYR A 76 -14.827 23.771 -2.171 1.00 12.16 C ATOM 596 CD1 TYR A 76 -14.740 24.608 -3.306 1.00 13.41 C ATOM 597 CD2 TYR A 76 -15.581 22.616 -2.297 1.00 11.30 C ATOM 598 CE1 TYR A 76 -15.419 24.317 -4.484 1.00 14.04 C ATOM 599 CE2 TYR A 76 -16.281 22.346 -3.478 1.00 10.23 C ATOM 600 CZ TYR A 76 -16.200 23.193 -4.569 1.00 9.43 C ATOM 601 OH TYR A 76 -16.828 22.936 -5.760 1.00 10.73 O ATOM 602 HH TYR A 76 -16.636 23.669 -6.398 1.00 0.00 H ATOM 603 H TYR A 76 -13.208 21.625 -0.191 1.00 0.00 H ATOM 604 N CYS A 77 -10.794 24.900 -0.170 1.00 13.45 N ATOM 605 CA CYS A 77 -9.800 25.313 0.856 1.00 13.94 C ATOM 606 C CYS A 77 -9.430 26.798 0.802 1.00 15.46 C ATOM 607 O CYS A 77 -8.464 27.215 1.454 1.00 16.00 O ATOM 608 CB CYS A 77 -8.565 24.402 0.809 1.00 17.49 C ATOM 609 SG CYS A 77 -7.868 24.151 -0.795 1.00 17.81 S ATOM 610 H CYS A 77 -10.692 25.234 -1.150 1.00 0.00 H ATOM 611 N SER A 78 -10.240 27.584 0.094 1.00 15.28 N ATOM 612 CA SER A 78 -10.012 29.028 -0.139 1.00 15.66 C ATOM 613 C SER A 78 -10.023 29.805 1.164 1.00 17.23 C ATOM 614 O SER A 78 -9.326 30.829 1.296 1.00 17.87 O ATOM 615 CB SER A 78 -11.090 29.583 -1.082 1.00 16.24 C ATOM 616 OG SER A 78 -12.394 29.567 -0.491 1.00 23.29 O ATOM 617 HG SER A 78 -12.639 28.636 -0.260 1.00 0.00 H ATOM 618 H SER A 78 -11.090 27.154 -0.323 1.00 0.00 H ATOM 619 N ASN A 79 -10.815 29.315 2.100 1.00 13.30 N ATOM 620 CA ASN A 79 -11.012 29.922 3.417 1.00 12.21 C ATOM 621 C ASN A 79 -10.270 29.271 4.541 1.00 12.42 C ATOM 622 O ASN A 79 -10.664 29.432 5.688 1.00 15.54 O ATOM 623 CB ASN A 79 -12.484 30.023 3.765 1.00 16.06 C ATOM 624 CG ASN A 79 -13.140 28.681 3.951 1.00 16.38 C ATOM 625 OD1 ASN A 79 -12.507 27.655 3.840 1.00 19.56 O ATOM 626 ND2 ASN A 79 -14.434 28.700 4.251 1.00 23.27 N ATOM 627 HD22 ASN A 79 -14.935 29.607 4.335 1.00 0.00 H ATOM 628 HD21 ASN A 79 -14.946 27.807 4.401 1.00 0.00 H ATOM 629 H ASN A 79 -11.334 28.439 1.887 1.00 0.00 H ATOM 630 N ASP A 80 -9.207 28.547 4.227 1.00 12.14 N ATOM 631 CA ASP A 80 -8.543 27.710 5.228 1.00 11.44 C ATOM 632 C ASP A 80 -7.040 27.778 4.986 1.00 13.24 C ATOM 633 O ASP A 80 -6.593 28.022 3.846 1.00 13.35 O ATOM 634 CB ASP A 80 -8.986 26.277 5.012 1.00 12.77 C ATOM 635 CG ASP A 80 -8.668 25.395 6.183 1.00 14.71 C ATOM 636 OD1 ASP A 80 -9.527 25.312 7.121 1.00 14.71 O ATOM 637 OD2 ASP A 80 -7.538 24.780 6.126 1.00 15.73 O ATOM 638 H ASP A 80 -8.838 28.573 3.255 1.00 0.00 H ATOM 639 N LEU A 81 -6.248 27.535 6.053 1.00 13.12 N ATOM 640 CA LEU A 81 -4.799 27.430 5.863 1.00 15.66 C ATOM 641 C LEU A 81 -4.384 26.374 4.861 1.00 14.19 C ATOM 642 O LEU A 81 -3.348 26.541 4.217 1.00 15.55 O ATOM 643 CB LEU A 81 -4.121 27.149 7.197 1.00 19.25 C ATOM 644 CG LEU A 81 -2.609 26.963 7.241 1.00 30.52 C ATOM 645 CD1 LEU A 81 -1.961 28.201 6.672 1.00 33.03 C ATOM 646 CD2 LEU A 81 -2.198 26.739 8.692 1.00 44.72 C ATOM 647 H LEU A 81 -6.663 27.424 7.000 1.00 0.00 H ATOM 648 N LEU A 82 -5.166 25.304 4.663 1.00 13.70 N ATOM 649 CA LEU A 82 -4.849 24.313 3.649 1.00 13.68 C ATOM 650 C LEU A 82 -4.701 24.972 2.248 1.00 14.04 C ATOM 651 O LEU A 82 -3.846 24.613 1.458 1.00 15.22 O ATOM 652 CB LEU A 82 -5.878 23.221 3.614 1.00 14.27 C ATOM 653 CG LEU A 82 -5.620 22.133 2.571 1.00 16.22 C ATOM 654 CD1 LEU A 82 -4.272 21.450 2.845 1.00 18.99 C ATOM 655 CD2 LEU A 82 -6.791 21.142 2.596 1.00 18.75 C ATOM 656 H LEU A 82 -6.017 25.180 5.247 1.00 0.00 H ATOM 657 N GLY A 83 -5.518 25.985 1.955 1.00 13.58 N ATOM 658 CA GLY A 83 -5.375 26.744 0.712 1.00 14.26 C ATOM 659 C GLY A 83 -4.080 27.522 0.574 1.00 13.78 C ATOM 660 O GLY A 83 -3.533 27.651 -0.524 1.00 15.91 O ATOM 661 H GLY A 83 -6.272 26.241 2.624 1.00 0.00 H ATOM 662 N ASP A 84 -3.577 28.050 1.697 1.00 15.18 N ATOM 663 CA ASP A 84 -2.277 28.726 1.706 1.00 17.05 C ATOM 664 C ASP A 84 -1.154 27.725 1.453 1.00 20.57 C ATOM 665 O ASP A 84 -0.192 28.044 0.728 1.00 19.36 O ATOM 666 CB ASP A 84 -2.059 29.468 3.012 1.00 19.82 C ATOM 667 CG ASP A 84 -3.094 30.541 3.210 1.00 29.42 C ATOM 668 OD1 ASP A 84 -3.220 31.388 2.314 1.00 36.92 O ATOM 669 OD2 ASP A 84 -3.842 30.487 4.198 1.00 36.32 O ATOM 670 H ASP A 84 -4.120 27.979 2.581 1.00 0.00 H ATOM 671 N LEU A 85 -1.284 26.542 2.044 1.00 17.16 N ATOM 672 CA LEU A 85 -0.298 25.455 1.921 1.00 18.26 C ATOM 673 C LEU A 85 -0.189 24.993 0.472 1.00 17.61 C ATOM 674 O LEU A 85 0.914 24.865 -0.084 1.00 20.17 O ATOM 675 CB LEU A 85 -0.734 24.260 2.783 1.00 20.08 C ATOM 676 CG LEU A 85 0.199 23.056 2.980 1.00 19.76 C ATOM 677 CD1 LEU A 85 1.340 23.348 3.939 1.00 23.75 C ATOM 678 CD2 LEU A 85 -0.584 21.843 3.467 1.00 22.89 C ATOM 679 H LEU A 85 -2.129 26.374 2.626 1.00 0.00 H ATOM 680 N PHE A 86 -1.344 24.766 -0.148 1.00 17.69 N ATOM 681 CA PHE A 86 -1.406 24.287 -1.517 1.00 15.43 C ATOM 682 C PHE A 86 -1.427 25.310 -2.626 1.00 18.55 C ATOM 683 O PHE A 86 -1.194 24.952 -3.791 1.00 22.51 O ATOM 684 CB PHE A 86 -2.604 23.339 -1.635 1.00 16.91 C ATOM 685 CG PHE A 86 -2.422 21.993 -1.016 1.00 16.76 C ATOM 686 CD1 PHE A 86 -1.268 21.593 -0.316 1.00 16.92 C ATOM 687 CD2 PHE A 86 -3.432 21.071 -1.157 1.00 17.72 C ATOM 688 CE1 PHE A 86 -1.205 20.347 0.229 1.00 15.86 C ATOM 689 CE2 PHE A 86 -3.348 19.784 -0.631 1.00 18.64 C ATOM 690 CZ PHE A 86 -2.230 19.424 0.049 1.00 19.44 C ATOM 691 H PHE A 86 -2.232 24.937 0.365 1.00 0.00 H ATOM 692 N GLY A 87 -1.736 26.571 -2.335 1.00 16.77 N ATOM 693 CA GLY A 87 -1.762 27.601 -3.343 1.00 19.96 C ATOM 694 C GLY A 87 -2.943 27.559 -4.314 1.00 18.77 C ATOM 695 O GLY A 87 -2.874 28.192 -5.349 1.00 19.25 O ATOM 696 H GLY A 87 -1.965 26.821 -1.352 1.00 0.00 H ATOM 697 N VAL A 88 -4.019 26.853 -3.946 1.00 19.91 N ATOM 698 CA VAL A 88 -5.226 26.713 -4.757 1.00 17.51 C ATOM 699 C VAL A 88 -6.449 26.962 -3.875 1.00 15.16 C ATOM 700 O VAL A 88 -6.407 26.689 -2.659 1.00 16.14 O ATOM 701 CB VAL A 88 -5.315 25.309 -5.414 1.00 19.20 C ATOM 702 CG1 VAL A 88 -4.126 25.093 -6.367 1.00 23.05 C ATOM 703 CG2 VAL A 88 -5.408 24.243 -4.358 1.00 21.37 C ATOM 704 H VAL A 88 -3.994 26.373 -3.024 1.00 0.00 H ATOM 705 N PRO A 89 -7.562 27.460 -4.472 1.00 15.96 N ATOM 706 CA PRO A 89 -8.815 27.619 -3.730 1.00 16.10 C ATOM 707 C PRO A 89 -9.599 26.276 -3.551 1.00 16.51 C ATOM 708 O PRO A 89 -10.488 26.174 -2.706 1.00 14.94 O ATOM 709 CB PRO A 89 -9.598 28.604 -4.599 1.00 18.61 C ATOM 710 CG PRO A 89 -9.140 28.287 -5.993 1.00 20.39 C ATOM 711 CD PRO A 89 -7.692 27.922 -5.871 1.00 18.47 C ATOM 712 N SER A 90 -9.282 25.289 -4.404 1.00 14.64 N ATOM 713 CA SER A 90 -9.938 23.984 -4.409 1.00 15.24 C ATOM 714 C SER A 90 -9.134 23.021 -5.275 1.00 16.28 C ATOM 715 O SER A 90 -8.258 23.447 -6.084 1.00 17.76 O ATOM 716 CB SER A 90 -11.379 24.101 -4.920 1.00 13.12 C ATOM 717 OG SER A 90 -11.439 24.523 -6.274 1.00 14.36 O ATOM 718 HG SER A 90 -10.964 23.868 -6.844 1.00 0.00 H ATOM 719 H SER A 90 -8.528 25.463 -5.099 1.00 0.00 H ATOM 720 N PHE A 91 -9.411 21.731 -5.076 1.00 15.37 N ATOM 721 CA PHE A 91 -8.797 20.680 -5.865 1.00 14.68 C ATOM 722 C PHE A 91 -9.661 19.409 -5.828 1.00 17.15 C ATOM 723 O PHE A 91 -10.428 19.144 -4.902 1.00 13.32 O ATOM 724 CB PHE A 91 -7.349 20.419 -5.439 1.00 15.89 C ATOM 725 CG PHE A 91 -7.213 19.923 -4.038 1.00 14.16 C ATOM 726 CD1 PHE A 91 -7.088 20.788 -2.966 1.00 15.26 C ATOM 727 CD2 PHE A 91 -7.251 18.566 -3.785 1.00 15.72 C ATOM 728 CE1 PHE A 91 -6.958 20.296 -1.664 1.00 13.03 C ATOM 729 CE2 PHE A 91 -7.157 18.072 -2.520 1.00 14.95 C ATOM 730 CZ PHE A 91 -6.994 18.906 -1.437 1.00 14.81 C ATOM 731 H PHE A 91 -10.089 21.471 -4.331 1.00 0.00 H ATOM 732 N SER A 92 -9.569 18.654 -6.895 1.00 15.73 N ATOM 733 CA SER A 92 -10.217 17.340 -6.940 1.00 19.61 C ATOM 734 C SER A 92 -9.404 16.342 -6.143 1.00 18.16 C ATOM 735 O SER A 92 -8.193 16.225 -6.358 1.00 15.89 O ATOM 736 CB SER A 92 -10.296 16.864 -8.378 1.00 19.21 C ATOM 737 OG SER A 92 -10.673 15.484 -8.461 1.00 15.89 O ATOM 738 HG SER A 92 -10.714 15.211 -9.412 1.00 0.00 H ATOM 739 H SER A 92 -9.031 18.991 -7.719 1.00 0.00 H ATOM 740 N VAL A 93 -10.055 15.563 -5.274 1.00 14.13 N ATOM 741 CA VAL A 93 -9.351 14.537 -4.502 1.00 15.47 C ATOM 742 C VAL A 93 -8.904 13.330 -5.330 1.00 17.29 C ATOM 743 O VAL A 93 -8.178 12.475 -4.792 1.00 17.31 O ATOM 744 CB VAL A 93 -10.155 13.998 -3.300 1.00 16.06 C ATOM 745 CG1 VAL A 93 -10.507 15.147 -2.356 1.00 24.07 C ATOM 746 CG2 VAL A 93 -11.392 13.229 -3.808 1.00 14.23 C ATOM 747 H VAL A 93 -11.079 15.688 -5.144 1.00 0.00 H ATOM 748 N LYS A 94 -9.363 13.250 -6.585 1.00 12.06 N ATOM 749 CA LYS A 94 -8.990 12.160 -7.519 1.00 14.03 C ATOM 750 C LYS A 94 -7.604 12.380 -8.119 1.00 15.66 C ATOM 751 O LYS A 94 -7.056 11.456 -8.700 1.00 16.30 O ATOM 752 CB LYS A 94 -9.983 12.048 -8.690 1.00 14.14 C ATOM 753 CG LYS A 94 -11.439 11.817 -8.283 1.00 14.98 C ATOM 754 CD LYS A 94 -12.344 11.542 -9.455 1.00 18.80 C ATOM 755 CE LYS A 94 -13.779 11.244 -9.025 1.00 18.19 C ATOM 756 NZ LYS A 94 -14.630 10.769 -10.172 1.00 16.00 N ATOM 757 HZ1 LYS A 94 -14.659 11.503 -10.908 1.00 0.00 H ATOM 758 HZ2 LYS A 94 -14.223 9.897 -10.566 1.00 0.00 H ATOM 759 HZ3 LYS A 94 -15.594 10.580 -9.831 1.00 0.00 H ATOM 760 H LYS A 94 -10.013 13.989 -6.922 1.00 0.00 H ATOM 761 N GLU A 95 -7.072 13.602 -8.032 1.00 17.38 N ATOM 762 CA GLU A 95 -5.832 13.961 -8.735 1.00 19.13 C ATOM 763 C GLU A 95 -4.664 13.718 -7.802 1.00 15.10 C ATOM 764 O GLU A 95 -4.015 14.646 -7.324 1.00 14.57 O ATOM 765 CB GLU A 95 -5.884 15.428 -9.179 1.00 22.10 C ATOM 766 CG GLU A 95 -6.934 15.661 -10.261 1.00 30.68 C ATOM 767 CD GLU A 95 -6.926 17.076 -10.806 1.00 40.82 C ATOM 768 OE1 GLU A 95 -6.249 17.948 -10.225 1.00 51.55 O ATOM 769 OE2 GLU A 95 -7.590 17.308 -11.840 1.00 73.38 O ATOM 770 H GLU A 95 -7.549 14.320 -7.450 1.00 0.00 H ATOM 771 N HIS A 96 -4.392 12.437 -7.536 1.00 13.57 N ATOM 772 CA HIS A 96 -3.353 12.051 -6.565 1.00 13.53 C ATOM 773 C HIS A 96 -1.967 12.564 -6.935 1.00 12.20 C ATOM 774 O HIS A 96 -1.250 13.034 -6.086 1.00 13.99 O ATOM 775 CB HIS A 96 -3.321 10.539 -6.392 1.00 14.06 C ATOM 776 CG HIS A 96 -4.392 9.998 -5.483 1.00 15.50 C ATOM 777 ND1 HIS A 96 -4.314 8.765 -4.954 1.00 15.24 N ATOM 778 CD2 HIS A 96 -5.579 10.555 -5.015 1.00 16.16 C ATOM 779 CE1 HIS A 96 -5.384 8.551 -4.156 1.00 18.40 C ATOM 780 NE2 HIS A 96 -6.182 9.617 -4.230 1.00 14.29 N ATOM 781 H HIS A 96 -4.928 11.693 -8.027 1.00 0.00 H ATOM 782 N ARG A 97 -1.603 12.493 -8.199 1.00 13.71 N ATOM 783 CA ARG A 97 -0.267 13.003 -8.605 1.00 15.02 C ATOM 784 C ARG A 97 -0.096 14.501 -8.294 1.00 14.16 C ATOM 785 O ARG A 97 0.942 14.909 -7.726 1.00 16.18 O ATOM 786 CB ARG A 97 0.026 12.698 -10.072 1.00 20.19 C ATOM 787 CG ARG A 97 0.380 11.244 -10.317 1.00 23.24 C ATOM 788 CD ARG A 97 0.991 11.055 -11.717 1.00 26.00 C ATOM 789 NE ARG A 97 0.075 11.502 -12.760 1.00 34.75 N ATOM 790 CZ ARG A 97 0.236 11.482 -14.100 1.00 31.66 C ATOM 791 NH1 ARG A 97 1.404 11.074 -14.592 1.00 31.49 N ATOM 792 NH2 ARG A 97 -0.709 11.881 -14.944 1.00 31.51 N ATOM 793 HE ARG A 97 -0.829 11.891 -12.424 1.00 0.00 H ATOM 794 HH12 ARG A 97 1.555 11.049 -15.621 1.00 0.00 H ATOM 795 HH11 ARG A 97 2.166 10.780 -13.948 1.00 0.00 H ATOM 796 HH22 ARG A 97 -0.538 11.847 -15.969 1.00 0.00 H ATOM 797 HH21 ARG A 97 -1.619 12.227 -14.579 1.00 0.00 H ATOM 798 H ARG A 97 -2.245 12.083 -8.907 1.00 0.00 H ATOM 799 N LYS A 98 -1.145 15.301 -8.581 1.00 15.37 N ATOM 800 CA LYS A 98 -1.164 16.721 -8.221 1.00 18.61 C ATOM 801 C LYS A 98 -1.101 16.941 -6.714 1.00 16.84 C ATOM 802 O LYS A 98 -0.436 17.864 -6.263 1.00 16.96 O ATOM 803 CB LYS A 98 -2.396 17.462 -8.786 1.00 26.47 C ATOM 804 CG LYS A 98 -2.295 18.988 -8.720 1.00 34.45 C ATOM 805 CD LYS A 98 -3.637 19.676 -8.927 1.00 40.57 C ATOM 806 CE LYS A 98 -3.571 21.170 -8.723 1.00 37.70 C ATOM 807 NZ LYS A 98 -4.889 21.841 -8.901 1.00 37.80 N ATOM 808 HZ1 LYS A 98 -5.237 21.669 -9.866 1.00 0.00 H ATOM 809 HZ2 LYS A 98 -5.568 21.457 -8.213 1.00 0.00 H ATOM 810 HZ3 LYS A 98 -4.779 22.864 -8.748 1.00 0.00 H ATOM 811 H LYS A 98 -1.966 14.896 -9.074 1.00 0.00 H ATOM 812 N ILE A 99 -1.853 16.158 -5.936 1.00 13.24 N ATOM 813 CA ILE A 99 -1.863 16.271 -4.507 1.00 14.37 C ATOM 814 C ILE A 99 -0.473 15.963 -3.912 1.00 14.31 C ATOM 815 O ILE A 99 0.042 16.696 -3.043 1.00 16.31 O ATOM 816 CB ILE A 99 -2.972 15.378 -3.890 1.00 12.22 C ATOM 817 CG1 ILE A 99 -4.340 15.965 -4.249 1.00 13.98 C ATOM 818 CG2 ILE A 99 -2.823 15.326 -2.378 1.00 14.06 C ATOM 819 CD1 ILE A 99 -5.527 14.999 -4.147 1.00 13.25 C ATOM 820 H ILE A 99 -2.455 15.438 -6.384 1.00 0.00 H ATOM 821 N TYR A 100 0.166 14.919 -4.440 1.00 12.43 N ATOM 822 CA TYR A 100 1.540 14.610 -4.007 1.00 13.98 C ATOM 823 C TYR A 100 2.471 15.799 -4.249 1.00 14.01 C ATOM 824 O TYR A 100 3.264 16.131 -3.380 1.00 14.32 O ATOM 825 CB TYR A 100 2.112 13.365 -4.693 1.00 15.57 C ATOM 826 CG TYR A 100 1.730 12.061 -4.032 1.00 15.27 C ATOM 827 CD1 TYR A 100 2.084 11.822 -2.723 1.00 18.50 C ATOM 828 CD2 TYR A 100 1.013 11.079 -4.721 1.00 21.88 C ATOM 829 CE1 TYR A 100 1.754 10.626 -2.111 1.00 20.05 C ATOM 830 CE2 TYR A 100 0.679 9.875 -4.096 1.00 23.44 C ATOM 831 CZ TYR A 100 1.055 9.696 -2.784 1.00 19.73 C ATOM 832 OH TYR A 100 0.733 8.521 -2.131 1.00 31.16 O ATOM 833 HH TYR A 100 1.075 8.556 -1.203 1.00 0.00 H ATOM 834 H TYR A 100 -0.303 14.326 -5.154 1.00 0.00 H ATOM 835 N THR A 101 2.367 16.418 -5.418 1.00 12.68 N ATOM 836 CA THR A 101 3.232 17.570 -5.782 1.00 16.04 C ATOM 837 C THR A 101 3.011 18.712 -4.781 1.00 15.21 C ATOM 838 O THR A 101 3.969 19.277 -4.285 1.00 14.52 O ATOM 839 CB THR A 101 2.975 18.024 -7.207 1.00 11.74 C ATOM 840 OG1 THR A 101 3.324 16.965 -8.100 1.00 13.73 O ATOM 841 CG2 THR A 101 3.800 19.238 -7.573 1.00 11.83 C ATOM 842 HG1 THR A 101 2.772 16.169 -7.897 1.00 0.00 H ATOM 843 H THR A 101 1.657 16.086 -6.102 1.00 0.00 H ATOM 844 N MET A 102 1.759 19.030 -4.510 1.00 15.40 N ATOM 845 CA MET A 102 1.420 20.105 -3.549 1.00 15.79 C ATOM 846 C MET A 102 1.930 19.819 -2.163 1.00 14.58 C ATOM 847 O MET A 102 2.445 20.709 -1.483 1.00 16.66 O ATOM 848 CB MET A 102 -0.102 20.348 -3.558 1.00 15.69 C ATOM 849 CG MET A 102 -0.560 20.938 -4.849 1.00 15.35 C ATOM 850 SD MET A 102 -2.313 21.432 -4.901 1.00 19.21 S ATOM 851 CE MET A 102 -3.174 19.891 -4.569 1.00 18.10 C ATOM 852 H MET A 102 0.991 18.513 -4.983 1.00 0.00 H ATOM 853 N ILE A 103 1.870 18.571 -1.742 1.00 14.08 N ATOM 854 CA ILE A 103 2.376 18.179 -0.452 1.00 12.54 C ATOM 855 C ILE A 103 3.908 18.237 -0.474 1.00 15.63 C ATOM 856 O ILE A 103 4.524 18.745 0.487 1.00 15.08 O ATOM 857 CB ILE A 103 1.883 16.765 -0.039 1.00 14.12 C ATOM 858 CG1 ILE A 103 0.395 16.757 0.243 1.00 18.42 C ATOM 859 CG2 ILE A 103 2.612 16.289 1.227 1.00 19.15 C ATOM 860 CD1 ILE A 103 -0.194 15.355 0.287 1.00 16.59 C ATOM 861 H ILE A 103 1.445 17.849 -2.359 1.00 0.00 H ATOM 862 N TYR A 104 4.532 17.711 -1.529 1.00 12.49 N ATOM 863 CA TYR A 104 5.997 17.684 -1.599 1.00 13.48 C ATOM 864 C TYR A 104 6.623 19.044 -1.423 1.00 13.23 C ATOM 865 O TYR A 104 7.717 19.160 -0.848 1.00 15.84 O ATOM 866 CB TYR A 104 6.487 17.126 -2.929 1.00 10.97 C ATOM 867 CG TYR A 104 6.783 15.644 -2.912 1.00 11.05 C ATOM 868 CD1 TYR A 104 7.889 15.140 -2.233 1.00 11.08 C ATOM 869 CD2 TYR A 104 6.007 14.747 -3.651 1.00 11.29 C ATOM 870 CE1 TYR A 104 8.133 13.786 -2.183 1.00 11.16 C ATOM 871 CE2 TYR A 104 6.265 13.401 -3.626 1.00 11.84 C ATOM 872 CZ TYR A 104 7.341 12.921 -2.913 1.00 13.03 C ATOM 873 OH TYR A 104 7.586 11.551 -2.955 1.00 16.42 O ATOM 874 HH TYR A 104 6.800 11.065 -2.599 1.00 0.00 H ATOM 875 H TYR A 104 3.973 17.315 -2.312 1.00 0.00 H ATOM 876 N ARG A 105 5.967 20.061 -1.972 1.00 15.35 N ATOM 877 CA ARG A 105 6.482 21.421 -1.872 1.00 18.91 C ATOM 878 C ARG A 105 6.464 21.976 -0.444 1.00 16.87 C ATOM 879 O ARG A 105 7.051 23.068 -0.219 1.00 19.31 O ATOM 880 CB ARG A 105 5.701 22.331 -2.818 1.00 14.93 C ATOM 881 CG ARG A 105 5.976 22.019 -4.283 1.00 18.17 C ATOM 882 CD ARG A 105 5.191 22.902 -5.224 1.00 20.16 C ATOM 883 NE ARG A 105 5.455 22.582 -6.645 1.00 16.27 N ATOM 884 CZ ARG A 105 4.613 22.903 -7.629 1.00 21.42 C ATOM 885 NH1 ARG A 105 3.479 23.582 -7.342 1.00 25.24 N ATOM 886 NH2 ARG A 105 4.882 22.575 -8.891 1.00 16.88 N ATOM 887 HE ARG A 105 6.336 22.085 -6.887 1.00 0.00 H ATOM 888 HH12 ARG A 105 2.818 23.836 -8.104 1.00 0.00 H ATOM 889 HH11 ARG A 105 3.268 23.850 -6.360 1.00 0.00 H ATOM 890 HH22 ARG A 105 4.217 22.832 -9.648 1.00 0.00 H ATOM 891 HH21 ARG A 105 5.757 22.062 -9.120 1.00 0.00 H ATOM 892 H ARG A 105 5.076 19.885 -2.479 1.00 0.00 H ATOM 893 N ASN A 106 5.799 21.290 0.477 1.00 14.72 N ATOM 894 CA ASN A 106 5.662 21.718 1.848 1.00 14.26 C ATOM 895 C ASN A 106 6.452 20.811 2.823 1.00 12.95 C ATOM 896 O ASN A 106 6.186 20.825 4.044 1.00 14.36 O ATOM 897 CB ASN A 106 4.199 21.697 2.225 1.00 14.89 C ATOM 898 CG ASN A 106 3.435 22.882 1.658 1.00 21.19 C ATOM 899 OD1 ASN A 106 3.657 24.044 2.088 1.00 22.94 O ATOM 900 ND2 ASN A 106 2.701 22.647 0.553 1.00 18.85 N ATOM 901 HD22 ASN A 106 2.542 21.671 0.232 1.00 0.00 H ATOM 902 HD21 ASN A 106 2.293 23.442 0.021 1.00 0.00 H ATOM 903 H ASN A 106 5.352 20.394 0.195 1.00 0.00 H ATOM 904 N LEU A 107 7.441 20.094 2.303 1.00 15.46 N ATOM 905 CA LEU A 107 8.274 19.225 3.114 1.00 14.53 C ATOM 906 C LEU A 107 9.619 19.009 2.527 1.00 12.98 C ATOM 907 O LEU A 107 9.906 19.414 1.352 1.00 13.65 O ATOM 908 CB LEU A 107 7.568 17.882 3.355 1.00 15.86 C ATOM 909 CG LEU A 107 7.169 17.055 2.123 1.00 16.05 C ATOM 910 CD1 LEU A 107 8.362 16.321 1.518 1.00 17.59 C ATOM 911 CD2 LEU A 107 6.034 16.129 2.528 1.00 15.56 C ATOM 912 H LEU A 107 7.625 20.157 1.281 1.00 0.00 H ATOM 913 N VAL A 108 10.489 18.423 3.338 1.00 13.11 N ATOM 914 CA VAL A 108 11.812 18.008 2.909 1.00 12.67 C ATOM 915 C VAL A 108 11.827 16.483 3.059 1.00 13.39 C ATOM 916 O VAL A 108 11.505 15.951 4.114 1.00 13.20 O ATOM 917 CB VAL A 108 12.962 18.627 3.779 1.00 14.25 C ATOM 918 CG1 VAL A 108 14.353 18.030 3.520 1.00 15.57 C ATOM 919 CG2 VAL A 108 12.951 20.148 3.572 1.00 16.66 C ATOM 920 H VAL A 108 10.211 18.253 4.326 1.00 0.00 H ATOM 921 N VAL A 109 12.306 15.785 2.037 1.00 13.08 N ATOM 922 CA VAL A 109 12.511 14.347 2.159 1.00 14.95 C ATOM 923 C VAL A 109 13.823 14.085 2.923 1.00 12.79 C ATOM 924 O VAL A 109 14.895 14.707 2.655 1.00 11.35 O ATOM 925 CB VAL A 109 12.477 13.668 0.754 1.00 14.85 C ATOM 926 CG1 VAL A 109 12.800 12.181 0.848 1.00 15.81 C ATOM 927 CG2 VAL A 109 11.123 13.904 0.098 1.00 13.29 C ATOM 928 H VAL A 109 12.536 16.266 1.144 1.00 0.00 H ATOM 929 N VAL A 110 13.762 13.138 3.868 1.00 12.54 N ATOM 930 CA VAL A 110 14.883 12.723 4.686 1.00 17.89 C ATOM 931 C VAL A 110 15.321 11.312 4.136 1.00 23.69 C ATOM 932 O VAL A 110 14.476 10.417 3.903 1.00 31.69 O ATOM 933 CB VAL A 110 14.596 12.681 6.225 1.00 22.74 C ATOM 934 CG1 VAL A 110 13.524 13.664 6.691 1.00 22.64 C ATOM 935 CG2 VAL A 110 14.217 11.289 6.707 1.00 33.48 C ATOM 936 H VAL A 110 12.847 12.669 4.025 1.00 0.00 H ATOM 937 N ASN A 111 16.602 11.131 3.891 1.00 33.53 N ATOM 938 CA ASN A 111 17.177 9.789 3.580 1.00 29.25 C ATOM 939 C ASN A 111 18.566 9.645 4.199 1.00 31.33 C ATOM 940 O ASN A 111 19.091 10.626 4.711 1.00 34.56 O ATOM 941 CB ASN A 111 17.224 9.534 2.048 1.00 35.07 C ATOM 942 CG ASN A 111 16.035 8.718 1.536 1.00 33.05 C ATOM 943 OD1 ASN A 111 15.273 9.181 0.695 1.00 25.52 O ATOM 944 ND2 ASN A 111 15.877 7.495 2.049 1.00 29.09 N ATOM 945 HD22 ASN A 111 16.546 7.139 2.761 1.00 0.00 H ATOM 946 HD21 ASN A 111 15.085 6.898 1.736 1.00 0.00 H ATOM 947 H ASN A 111 17.237 11.954 3.915 1.00 0.00 H TER 948 ASN A 111 HETATM 949 ZN ZN A 1 -18.402 10.369 -8.473 1.00 92.23 ZN HETATM 950 O HOH 2 -16.877 20.258 10.776 1.00 42.71 O HETATM 951 O HOH 3 -7.619 19.620 -9.037 1.00 38.52 O HETATM 952 O HOH 4 -16.383 9.447 -8.913 1.00 52.06 O HETATM 953 O HOH 5 -21.659 16.864 -0.344 1.00 57.17 O HETATM 954 O HOH 6 6.144 -0.861 -9.140 1.00 40.40 O HETATM 955 O HOH 7 -13.649 27.455 0.313 1.00 31.82 O HETATM 956 O HOH 8 15.094 21.006 6.616 1.00 46.77 O HETATM 957 O HOH 9 -13.823 25.511 2.496 1.00 38.06 O HETATM 958 O HOH 10 -22.017 21.892 -5.709 1.00 31.00 O HETATM 959 O HOH 11 -8.556 18.691 14.450 1.00 44.31 O HETATM 960 O HOH 12 -2.441 6.735 -4.867 1.00 49.10 O HETATM 961 O HOH 13 6.179 0.287 -5.065 1.00 32.78 O HETATM 962 O HOH 14 -0.924 23.483 15.387 1.00 38.43 O HETATM 963 O HOH 15 -16.101 16.708 4.297 1.00 43.83 O HETATM 964 O HOH 16 -5.634 25.705 10.104 1.00 27.51 O HETATM 965 O HOH 17 -6.437 30.361 2.225 1.00 41.34 O HETATM 966 O HOH 18 5.011 24.958 12.894 1.00 38.92 O HETATM 967 O HOH 19 -11.039 22.434 -8.200 1.00 47.43 O HETATM 968 O HOH 20 -7.532 10.162 6.532 1.00 28.66 O HETATM 969 O HOH 21 13.401 16.835 -0.417 1.00 39.23 O HETATM 970 O HOH 22 11.691 20.857 6.575 1.00 35.93 O HETATM 971 O HOH 23 4.507 24.126 4.857 1.00 25.50 O HETATM 972 O HOH 24 -2.691 7.290 4.512 1.00 40.71 O HETATM 973 O HOH 25 12.448 8.386 2.348 1.00 33.33 O HETATM 974 O HOH 26 -16.066 23.997 6.381 1.00 37.05 O HETATM 975 O HOH 27 15.893 15.748 0.054 1.00 45.01 O HETATM 976 O HOH 28 -6.681 8.404 4.661 1.00 37.78 O HETATM 977 O HOH 29 10.456 18.012 -1.471 1.00 35.84 O HETATM 978 O HOH 30 10.909 25.704 -1.420 1.00 44.65 O HETATM 979 O HOH 31 -3.338 11.143 -10.418 1.00 44.27 O HETATM 980 O HOH 32 -7.786 27.740 8.813 1.00 6.99 O HETATM 981 O HOH 33 -15.578 25.712 4.651 1.00 35.79 O HETATM 982 O HOH 34 -3.097 13.948 -10.843 1.00 40.36 O HETATM 983 O HOH 35 11.806 21.534 -0.434 1.00 49.11 O HETATM 984 O HOH 36 12.969 5.345 3.828 1.00 49.94 O HETATM 985 C2 UNN A 37 -12.718 8.306 -6.848 1.00 0.06 C HETATM 986 C4 UNN A 37 -11.893 8.758 -5.718 1.00 0.00 C HETATM 987 C5 UNN A 37 -12.518 9.086 -4.508 1.00 -0.05 C HETATM 988 C6 UNN A 37 -11.775 9.535 -3.472 1.00 -0.05 C HETATM 989 C7 UNN A 37 -10.406 9.677 -3.611 1.00 0.01 C HETATM 990 C8 UNN A 37 -9.786 9.357 -4.807 1.00 -0.05 C HETATM 991 C9 UNN A 37 -10.518 8.921 -5.872 1.00 -0.05 C HETATM 992 H15 UNN A 37 -10.039 8.705 -6.820 1.00 0.06 H HETATM 993 H3 UNN A 37 -8.710 9.454 -4.898 1.00 0.06 H HETATM 994 C10 UNN A 37 -9.537 10.149 -2.491 1.00 0.02 C HETATM 995 C12 UNN A 37 -10.217 10.143 -1.089 1.00 0.05 C HETATM 996 C13 UNN A 37 -8.966 10.165 -0.124 1.00 0.03 C HETATM 997 C15 UNN A 37 -7.800 9.580 -0.966 1.00 0.03 C HETATM 998 C18 UNN A 37 -6.764 10.733 -0.959 1.00 0.06 C HETATM 999 C20 UNN A 37 -5.321 10.268 -1.165 1.00 -0.01 C HETATM 1000 C21 UNN A 37 -4.786 9.088 -0.602 1.00 -0.06 C HETATM 1001 C22 UNN A 37 -3.501 8.709 -0.854 1.00 -0.07 C HETATM 1002 C23 UNN A 37 -2.685 9.528 -1.619 1.00 -0.06 C HETATM 1003 C24 UNN A 37 -3.181 10.688 -2.178 1.00 0.07 C HETATM 1004 CL2 UNN A 37 -2.161 11.745 -3.159 1.00 -0.07 CL HETATM 1005 C26 UNN A 37 -4.474 11.076 -1.896 1.00 0.15 C HETATM 1006 F27 UNN A 37 -4.901 12.227 -2.439 1.00 -0.19 F HETATM 1007 H9 UNN A 37 -1.648 9.255 -1.779 1.00 0.06 H HETATM 1008 H20 UNN A 37 -3.120 7.774 -0.459 1.00 0.06 H HETATM 1009 H8 UNN A 37 -5.407 8.474 0.041 1.00 0.05 H HETATM 1010 C28 UNN A 37 -7.059 11.492 0.366 1.00 0.08 C HETATM 1011 C38 UNN A 37 -6.501 12.882 0.368 1.00 0.02 C HETATM 1012 C32 UNN A 37 -5.570 12.957 1.442 1.00 0.10 C HETATM 1013 C33 UNN A 37 -4.895 14.151 1.661 1.00 0.00 C HETATM 1014 C34 UNN A 37 -5.089 15.248 0.839 1.00 0.06 C HETATM 1015 C36 UNN A 37 -5.953 15.170 -0.212 1.00 -0.03 C HETATM 1016 C37 UNN A 37 -6.659 13.989 -0.456 1.00 -0.05 C HETATM 1017 H12 UNN A 37 -7.338 13.936 -1.299 1.00 0.08 H HETATM 1018 H11 UNN A 37 -6.093 16.027 -0.861 1.00 0.06 H HETATM 1019 CL3 UNN A 37 -4.239 16.689 1.134 1.00 -0.05 CL HETATM 1020 H10 UNN A 37 -4.203 14.225 2.492 1.00 0.06 H HETATM 1021 N31 UNN A 37 -5.578 11.746 2.128 1.00 -0.22 N HETATM 1022 C29 UNN A 37 -6.426 10.826 1.580 1.00 0.26 C HETATM 1023 O30 UNN A 37 -6.630 9.674 1.941 1.00 -0.31 O HETATM 1024 H21 UNN A 37 -5.020 11.568 2.939 1.00 0.24 H HETATM 1025 N39 UNN A 37 -8.573 11.496 0.308 1.00 0.19 N HETATM 1026 C40 UNN A 37 -9.164 11.956 1.614 1.00 -0.03 C HETATM 1027 C41 UNN A 37 -10.529 12.606 1.385 1.00 -0.00 C HETATM 1028 C42 UNN A 37 -10.855 13.673 2.415 1.00 -0.04 C HETATM 1029 C43 UNN A 37 -10.549 14.067 0.956 1.00 -0.04 C HETATM 1030 H26 UNN A 37 -11.354 14.440 0.305 1.00 0.03 H HETATM 1031 H27 UNN A 37 -9.609 14.582 0.709 1.00 0.03 H HETATM 1032 H24 UNN A 37 -10.134 13.908 3.212 1.00 0.03 H HETATM 1033 H25 UNN A 37 -11.878 13.765 2.808 1.00 0.03 H HETATM 1034 H23 UNN A 37 -11.275 11.889 1.012 1.00 0.04 H HETATM 1035 H13 UNN A 37 -8.488 12.688 2.079 1.00 0.08 H HETATM 1036 H14 UNN A 37 -9.283 11.090 2.282 1.00 0.08 H HETATM 1037 H22 UNN A 37 -8.870 12.152 -0.397 1.00 0.20 H HETATM 1038 H7 UNN A 37 -6.989 11.410 -1.796 1.00 0.04 H HETATM 1039 N17 UNN A 37 -8.366 9.249 -2.302 1.00 0.25 N HETATM 1040 H18 UNN A 37 -8.659 8.285 -2.329 1.00 0.20 H HETATM 1041 H19 UNN A 37 -7.680 9.412 -3.022 1.00 0.20 H HETATM 1042 H6 UNN A 37 -7.371 8.675 -0.511 1.00 0.09 H HETATM 1043 H17 UNN A 37 -9.167 9.542 0.760 1.00 0.09 H HETATM 1044 H4 UNN A 37 -10.822 9.236 -0.941 1.00 0.04 H HETATM 1045 H5 UNN A 37 -10.849 11.032 -0.946 1.00 0.04 H HETATM 1046 H16 UNN A 37 -9.199 11.168 -2.731 1.00 0.10 H HETATM 1047 H2 UNN A 37 -12.252 9.784 -2.531 1.00 0.06 H HETATM 1048 H1 UNN A 37 -13.592 8.980 -4.403 1.00 0.06 H HETATM 1049 O1 UNN A 37 -14.003 7.997 -6.649 1.00 -0.56 O HETATM 1050 O3 UNN A 37 -12.212 8.216 -7.945 1.00 -0.56 O CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 985 986 1049 1050 CONECT 986 985 987 991 CONECT 987 986 988 1048 CONECT 988 987 989 1047 CONECT 989 988 990 994 CONECT 990 989 991 993 CONECT 991 986 990 992 CONECT 992 991 CONECT 993 990 CONECT 994 989 995 1039 1046 CONECT 995 994 996 1044 1045 CONECT 996 995 997 1025 1043 CONECT 997 996 998 1039 1042 CONECT 998 997 999 1010 1038 CONECT 999 998 1000 1005 CONECT 1000 999 1001 1009 CONECT 1001 1000 1002 1008 CONECT 1002 1001 1003 1007 CONECT 1003 1002 1004 1005 CONECT 1004 1003 CONECT 1005 999 1003 1006 CONECT 1006 1005 CONECT 1007 1002 CONECT 1008 1001 CONECT 1009 1000 CONECT 1010 998 1011 1022 1025 CONECT 1011 1010 1012 1016 CONECT 1012 1011 1013 1021 CONECT 1013 1012 1014 1020 CONECT 1014 1013 1015 1019 CONECT 1015 1014 1016 1018 CONECT 1016 1011 1015 1017 CONECT 1017 1016 CONECT 1018 1015 CONECT 1019 1014 CONECT 1020 1013 CONECT 1021 1012 1022 1024 CONECT 1022 1010 1021 1023 CONECT 1023 1022 CONECT 1024 1021 CONECT 1025 996 1010 1026 1037 CONECT 1026 1025 1027 1035 1036 CONECT 1027 1026 1028 1029 1034 CONECT 1028 1027 1029 1032 1033 CONECT 1029 1027 1028 1030 1031 CONECT 1030 1029 CONECT 1031 1029 CONECT 1032 1028 CONECT 1033 1028 CONECT 1034 1027 CONECT 1035 1026 CONECT 1036 1026 CONECT 1037 1025 CONECT 1038 998 CONECT 1039 994 997 1040 1041 CONECT 1040 1039 CONECT 1041 1039 CONECT 1042 997 CONECT 1043 996 CONECT 1044 995 CONECT 1045 995 CONECT 1046 994 CONECT 1047 988 CONECT 1048 987 CONECT 1049 985 CONECT 1050 985 MASTER 0 0 0 0 0 0 0 0 1049 1 70 8 END
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Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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3lbl
RCSB PDB
PDBbind
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PDBbind
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PDBbind
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3vzv
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PDBbind
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3w69
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
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PDBbind
96aa, >4ERF_1|Chains... at 98%
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PDBbind
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RCSB PDB
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4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5laz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
6ST
EC.Number
E.C.6.3.2
Resolution
1.66(Å)
Affinity (Kd/Ki/IC50)
IC50=4nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Med. Chem. Vol. 59: pp. 10147-10162
Ligand Properties
Formula
C
3
0
H
2
8
Cl
2
FN
3
O
3
Molecular Weight
568.466
Exact Mass
567.149
No. of atoms
67
No. of bonds
73
Polar Surface Area
87.45
LOGP Value
4.08 (
Computed with XLOGP3
)
6.79 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 7
Canonical SMILES
Clc1ccc2c(c1)NC(=O)[C@]12[N@H+](CC2CC2)[C@@H]2[C@H]([C@@H]1c1cccc(c1F)Cl)[NH2+][C@H](C2)c1ccc(cc1)C(=O)O
InChI String
InChI=1S/C30H26Cl2FN3O3/c31-18-10-11-20-23(12-18)35-29(39)30(20)25(19-2-1-3-21(32)26(19)33)27-24(36(30)14-15-4-5-15)13-22(34-27)16-6-8-17(9-7-16)28(37)38/h1-3,6-12,15,22,24-25,27,34H,4-5,13-14H2,(H,35,39)(H,37,38)/p+2/t22-,24+,25+,27-,30-/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):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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