Browse entries in the PDBbind-CN Database
HEADER 3S8N_COMPLEX COMPND 3S8N_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 GLU MET LYS PRO HIS PRO TRP PHE PHE GLY LYS ILE PRO SEQRES 2 A 101 ARG ALA LYS ALA GLU GLU MET LEU SER LYS GLN ARG HIS SEQRES 3 A 101 ASP GLY ALA PHE LEU ILE ARG GLU SER GLU SER ALA PRO SEQRES 4 A 101 GLY ASP PHE SER LEU SER VAL LYS PHE GLY ASN ASP VAL SEQRES 5 A 101 GLN HIS PHE LYS VAL LEU ARG ASP GLY ALA GLY LYS TYR SEQRES 6 A 101 PHE LEU TRP VAL VAL LYS PHE ASN SER LEU ASN GLU LEU SEQRES 7 A 101 VAL ASP TYR HIS ARG SER THR SER VAL SER ARG ASN GLN SEQRES 8 A 101 GLN ILE PHE LEU ARG ASP ILE GLU GLN VAL HET ACE A 164 64 ATOM 1 N GLU A 54 8.999 21.447 9.885 1.00 54.99 N ATOM 2 CA GLU A 54 9.954 20.347 9.946 1.00 55.00 C ATOM 3 C GLU A 54 9.382 19.085 9.308 1.00 53.63 C ATOM 4 O GLU A 54 9.989 18.016 9.372 1.00 54.32 O ATOM 5 CB GLU A 54 10.357 20.066 11.395 1.00 20.00 C ATOM 6 CG GLU A 54 11.494 19.068 11.541 1.00 20.00 C ATOM 7 CD GLU A 54 11.948 18.908 12.979 1.00 20.00 C ATOM 8 OE1 GLU A 54 11.976 17.760 13.471 1.00 20.00 O ATOM 9 OE2 GLU A 54 12.277 19.930 13.618 1.00 20.00 O ATOM 10 HA GLU A 54 10.839 20.643 9.384 1.00 0.00 H ATOM 11 HB2 GLU A 54 10.665 21.006 11.853 1.00 0.00 H ATOM 12 HB3 GLU A 54 9.487 19.674 11.923 1.00 0.00 H ATOM 13 HG2 GLU A 54 11.158 18.099 11.171 1.00 0.00 H ATOM 14 HG3 GLU A 54 12.339 19.411 10.944 1.00 0.00 H ATOM 15 HN3 GLU A 54 8.132 21.180 10.394 1.00 0.00 H ATOM 16 HN2 GLU A 54 8.770 21.651 8.891 1.00 0.00 H ATOM 17 HN1 GLU A 54 9.416 22.291 10.326 1.00 0.00 H ATOM 18 N MET A 55 8.212 19.218 8.692 1.00 52.61 N ATOM 19 CA MET A 55 7.555 18.088 8.039 1.00 51.30 C ATOM 20 C MET A 55 8.215 17.727 6.709 1.00 48.34 C ATOM 21 O MET A 55 8.061 18.462 5.739 1.00 49.03 O ATOM 22 CB MET A 55 6.066 18.374 7.827 1.00 51.48 C ATOM 23 CG MET A 55 5.268 17.123 7.710 1.00 56.21 C ATOM 24 SD MET A 55 5.660 15.989 9.073 1.00 68.41 S ATOM 25 CE MET A 55 6.646 14.656 8.321 1.00 65.03 C ATOM 26 HA MET A 55 7.663 17.231 8.704 1.00 0.00 H ATOM 27 HB2 MET A 55 5.694 18.951 8.674 1.00 0.00 H ATOM 28 HB3 MET A 55 5.946 18.955 6.913 1.00 0.00 H ATOM 29 HG2 MET A 55 5.498 16.638 6.762 1.00 0.00 H ATOM 30 HG3 MET A 55 4.207 17.370 7.742 1.00 0.00 H ATOM 31 HE1 MET A 55 6.058 14.163 7.547 1.00 0.00 H ATOM 32 HE2 MET A 55 7.549 15.078 7.880 1.00 0.00 H ATOM 33 HE3 MET A 55 6.920 13.931 9.088 1.00 0.00 H ATOM 34 H MET A 55 7.752 20.151 8.674 1.00 0.00 H ATOM 35 N LYS A 56 8.908 16.594 6.654 1.00 45.15 N ATOM 36 CA LYS A 56 9.607 16.157 5.454 1.00 40.84 C ATOM 37 C LYS A 56 9.122 14.843 4.880 1.00 37.55 C ATOM 38 O LYS A 56 8.665 14.012 5.591 1.00 38.24 O ATOM 39 CB LYS A 56 11.067 16.000 5.764 1.00 41.62 C ATOM 40 CG LYS A 56 11.723 17.296 6.186 1.00 42.32 C ATOM 41 CD LYS A 56 12.867 17.057 7.098 1.00 48.25 C ATOM 42 CE LYS A 56 13.828 16.049 6.523 1.00 54.98 C ATOM 43 NZ LYS A 56 13.439 14.654 6.836 1.00 57.48 N ATOM 44 HA LYS A 56 9.410 16.927 4.708 1.00 0.00 H ATOM 45 HB2 LYS A 56 11.175 15.276 6.572 1.00 0.00 H ATOM 46 HB3 LYS A 56 11.574 15.627 4.874 1.00 0.00 H ATOM 47 HG2 LYS A 56 12.081 17.817 5.298 1.00 0.00 H ATOM 48 HG3 LYS A 56 10.986 17.916 6.697 1.00 0.00 H ATOM 49 HD2 LYS A 56 13.394 17.997 7.260 1.00 0.00 H ATOM 50 HD3 LYS A 56 12.490 16.684 8.050 1.00 0.00 H ATOM 51 HE2 LYS A 56 14.820 16.237 6.934 1.00 0.00 H ATOM 52 HE3 LYS A 56 13.856 16.170 5.440 1.00 0.00 H ATOM 53 HZ1 LYS A 56 13.417 14.525 7.868 1.00 0.00 H ATOM 54 HZ2 LYS A 56 12.496 14.461 6.441 1.00 0.00 H ATOM 55 HZ3 LYS A 56 14.132 14.000 6.418 1.00 0.00 H ATOM 56 H LYS A 56 8.953 15.995 7.503 1.00 0.00 H ATOM 57 N PRO A 57 9.255 14.636 3.591 1.00 33.12 N ATOM 58 CA PRO A 57 8.865 13.302 3.114 1.00 31.16 C ATOM 59 C PRO A 57 9.875 12.284 3.578 1.00 28.83 C ATOM 60 O PRO A 57 11.008 12.649 3.906 1.00 30.54 O ATOM 61 CB PRO A 57 8.916 13.431 1.566 1.00 29.90 C ATOM 62 CG PRO A 57 9.794 14.636 1.309 1.00 32.67 C ATOM 63 CD PRO A 57 9.696 15.537 2.514 1.00 34.22 C ATOM 64 HA PRO A 57 7.889 12.984 3.480 1.00 0.00 H ATOM 65 HD3 PRO A 57 10.664 15.979 2.749 1.00 0.00 H ATOM 66 HD2 PRO A 57 8.967 16.330 2.348 1.00 0.00 H ATOM 67 HG3 PRO A 57 9.449 15.165 0.420 1.00 0.00 H ATOM 68 HG2 PRO A 57 10.827 14.320 1.164 1.00 0.00 H ATOM 69 HB2 PRO A 57 9.350 12.536 1.120 1.00 0.00 H ATOM 70 HB3 PRO A 57 7.917 13.590 1.160 1.00 0.00 H ATOM 71 N HIS A 58 9.496 11.015 3.608 1.00 25.79 N ATOM 72 CA HIS A 58 10.459 9.975 4.030 1.00 25.42 C ATOM 73 C HIS A 58 11.510 9.699 2.997 1.00 26.97 C ATOM 74 O HIS A 58 11.145 9.534 1.821 1.00 30.05 O ATOM 75 CB HIS A 58 9.684 8.704 4.286 1.00 22.23 C ATOM 76 CG HIS A 58 8.841 8.806 5.479 1.00 23.56 C ATOM 77 ND1 HIS A 58 9.412 9.039 6.727 1.00 25.48 N ATOM 78 CD2 HIS A 58 7.499 8.724 5.677 1.00 24.08 C ATOM 79 CE1 HIS A 58 8.444 9.059 7.639 1.00 26.12 C ATOM 80 NE2 HIS A 58 7.285 8.907 7.030 1.00 27.20 N ATOM 81 HA HIS A 58 10.973 10.332 4.922 1.00 0.00 H ATOM 82 HB2 HIS A 58 9.050 8.498 3.423 1.00 0.00 H ATOM 83 HB3 HIS A 58 10.388 7.883 4.422 1.00 0.00 H ATOM 84 HD2 HIS A 58 6.739 8.548 4.916 1.00 0.00 H ATOM 85 HE1 HIS A 58 8.586 9.181 8.713 1.00 0.00 H ATOM 86 H HIS A 58 8.527 10.752 3.336 1.00 0.00 H ATOM 87 N PRO A 59 12.769 9.479 3.428 1.00 27.47 N ATOM 88 CA PRO A 59 13.847 9.277 2.478 1.00 27.01 C ATOM 89 C PRO A 59 13.893 7.862 1.906 1.00 27.77 C ATOM 90 O PRO A 59 14.740 7.579 1.031 1.00 29.23 O ATOM 91 CB PRO A 59 15.085 9.556 3.330 1.00 30.06 C ATOM 92 CG PRO A 59 14.673 8.997 4.689 1.00 29.42 C ATOM 93 CD PRO A 59 13.269 9.561 4.830 1.00 27.13 C ATOM 94 HA PRO A 59 13.745 9.912 1.598 1.00 0.00 H ATOM 95 HD3 PRO A 59 12.663 8.956 5.504 1.00 0.00 H ATOM 96 HD2 PRO A 59 13.288 10.591 5.186 1.00 0.00 H ATOM 97 HG3 PRO A 59 15.329 9.354 5.483 1.00 0.00 H ATOM 98 HG2 PRO A 59 14.667 7.907 4.687 1.00 0.00 H ATOM 99 HB2 PRO A 59 15.960 9.038 2.938 1.00 0.00 H ATOM 100 HB3 PRO A 59 15.293 10.624 3.388 1.00 0.00 H ATOM 101 N TRP A 60 12.934 7.015 2.329 1.00 25.54 N ATOM 102 CA TRP A 60 13.018 5.604 2.050 1.00 24.13 C ATOM 103 C TRP A 60 11.988 5.129 1.060 1.00 23.22 C ATOM 104 O TRP A 60 12.012 3.955 0.694 1.00 22.53 O ATOM 105 CB TRP A 60 12.912 4.801 3.380 1.00 24.05 C ATOM 106 CG TRP A 60 11.880 5.189 4.428 1.00 22.56 C ATOM 107 CD1 TRP A 60 12.083 5.934 5.552 1.00 23.26 C ATOM 108 CD2 TRP A 60 10.501 4.877 4.393 1.00 23.02 C ATOM 109 NE1 TRP A 60 10.912 6.068 6.266 1.00 23.99 N ATOM 110 CE2 TRP A 60 9.913 5.419 5.573 1.00 22.04 C ATOM 111 CE3 TRP A 60 9.708 4.115 3.520 1.00 20.95 C ATOM 112 CZ2 TRP A 60 8.558 5.277 5.874 1.00 23.99 C ATOM 113 CZ3 TRP A 60 8.330 3.969 3.807 1.00 21.85 C ATOM 114 CH2 TRP A 60 7.758 4.527 4.979 1.00 22.78 C ATOM 115 HA TRP A 60 13.987 5.427 1.584 1.00 0.00 H ATOM 116 HB2 TRP A 60 12.708 3.766 3.106 1.00 0.00 H ATOM 117 HB3 TRP A 60 13.888 4.862 3.862 1.00 0.00 H ATOM 118 HE1 TRP A 60 10.801 6.571 7.170 1.00 0.00 H ATOM 119 HD1 TRP A 60 13.040 6.365 5.845 1.00 0.00 H ATOM 120 HZ2 TRP A 60 8.130 5.729 6.769 1.00 0.00 H ATOM 121 HH2 TRP A 60 6.699 4.378 5.191 1.00 0.00 H ATOM 122 HZ3 TRP A 60 7.696 3.417 3.114 1.00 0.00 H ATOM 123 HE3 TRP A 60 10.145 3.645 2.639 1.00 0.00 H ATOM 124 H TRP A 60 12.122 7.385 2.864 1.00 0.00 H ATOM 125 N PHE A 61 11.059 6.008 0.661 1.00 22.98 N ATOM 126 CA PHE A 61 10.058 5.528 -0.327 1.00 22.04 C ATOM 127 C PHE A 61 10.430 5.778 -1.777 1.00 23.27 C ATOM 128 O PHE A 61 10.486 6.911 -2.215 1.00 24.50 O ATOM 129 CB PHE A 61 8.651 6.128 -0.051 1.00 22.55 C ATOM 130 CG PHE A 61 7.604 5.470 -0.833 1.00 24.00 C ATOM 131 CD1 PHE A 61 6.967 4.297 -0.360 1.00 24.50 C ATOM 132 CD2 PHE A 61 7.239 6.013 -2.092 1.00 23.56 C ATOM 133 CE1 PHE A 61 6.000 3.666 -1.125 1.00 29.32 C ATOM 134 CE2 PHE A 61 6.254 5.394 -2.839 1.00 25.03 C ATOM 135 CZ PHE A 61 5.633 4.238 -2.381 1.00 25.75 C ATOM 136 HA PHE A 61 10.041 4.447 -0.187 1.00 0.00 H ATOM 137 HB2 PHE A 61 8.422 6.013 1.009 1.00 0.00 H ATOM 138 HB3 PHE A 61 8.665 7.188 -0.305 1.00 0.00 H ATOM 139 HD2 PHE A 61 7.731 6.910 -2.467 1.00 0.00 H ATOM 140 HE2 PHE A 61 5.961 5.818 -3.799 1.00 0.00 H ATOM 141 HZ PHE A 61 4.860 3.764 -2.985 1.00 0.00 H ATOM 142 HE1 PHE A 61 5.527 2.749 -0.774 1.00 0.00 H ATOM 143 HD1 PHE A 61 7.240 3.888 0.613 1.00 0.00 H ATOM 144 H PHE A 61 11.039 6.982 1.026 1.00 0.00 H ATOM 145 N PHE A 62 10.657 4.685 -2.507 1.00 22.27 N ATOM 146 CA PHE A 62 11.206 4.816 -3.882 1.00 23.04 C ATOM 147 C PHE A 62 10.200 4.486 -4.941 1.00 22.15 C ATOM 148 O PHE A 62 10.553 4.496 -6.180 1.00 23.47 O ATOM 149 CB PHE A 62 12.469 4.020 -4.061 1.00 22.02 C ATOM 150 CG PHE A 62 13.724 4.738 -3.537 1.00 25.92 C ATOM 151 CD1 PHE A 62 13.976 4.851 -2.171 1.00 25.73 C ATOM 152 CD2 PHE A 62 14.643 5.246 -4.386 1.00 28.20 C ATOM 153 CE1 PHE A 62 15.089 5.466 -1.713 1.00 27.61 C ATOM 154 CE2 PHE A 62 15.807 5.867 -3.905 1.00 31.45 C ATOM 155 CZ PHE A 62 15.997 5.980 -2.551 1.00 27.10 C ATOM 156 HA PHE A 62 11.459 5.869 -4.006 1.00 0.00 H ATOM 157 HB2 PHE A 62 12.362 3.077 -3.526 1.00 0.00 H ATOM 158 HB3 PHE A 62 12.604 3.820 -5.124 1.00 0.00 H ATOM 159 HD2 PHE A 62 14.479 5.173 -5.461 1.00 0.00 H ATOM 160 HE2 PHE A 62 16.552 6.255 -4.600 1.00 0.00 H ATOM 161 HZ PHE A 62 16.881 6.485 -2.161 1.00 0.00 H ATOM 162 HE1 PHE A 62 15.251 5.545 -0.638 1.00 0.00 H ATOM 163 HD1 PHE A 62 13.263 4.436 -1.459 1.00 0.00 H ATOM 164 H PHE A 62 10.450 3.744 -2.115 1.00 0.00 H ATOM 165 N GLY A 63 8.945 4.280 -4.543 1.00 21.61 N ATOM 166 CA GLY A 63 7.935 3.921 -5.577 1.00 22.81 C ATOM 167 C GLY A 63 8.276 2.647 -6.354 1.00 22.99 C ATOM 168 O GLY A 63 8.784 1.639 -5.828 1.00 22.21 O ATOM 169 HA3 GLY A 63 7.859 4.746 -6.285 1.00 0.00 H ATOM 170 HA2 GLY A 63 6.974 3.777 -5.084 1.00 0.00 H ATOM 171 H GLY A 63 8.679 4.367 -3.541 1.00 0.00 H ATOM 172 N LYS A 64 8.030 2.682 -7.658 1.00 24.54 N ATOM 173 CA LYS A 64 8.141 1.501 -8.478 1.00 25.84 C ATOM 174 C LYS A 64 9.538 1.401 -9.123 1.00 28.69 C ATOM 175 O LYS A 64 9.694 1.503 -10.332 1.00 33.06 O ATOM 176 CB LYS A 64 7.054 1.516 -9.558 1.00 25.29 C ATOM 177 CG LYS A 64 6.913 0.089 -10.180 1.00 27.22 C ATOM 178 CD LYS A 64 5.847 0.076 -11.280 1.00 31.03 C ATOM 179 CE LYS A 64 5.572 -1.303 -11.810 1.00 30.96 C ATOM 180 NZ LYS A 64 4.470 -1.204 -12.806 1.00 31.82 N ATOM 181 HA LYS A 64 8.004 0.626 -7.843 1.00 0.00 H ATOM 182 HB2 LYS A 64 6.104 1.814 -9.113 1.00 0.00 H ATOM 183 HB3 LYS A 64 7.327 2.227 -10.338 1.00 0.00 H ATOM 184 HG2 LYS A 64 7.870 -0.211 -10.606 1.00 0.00 H ATOM 185 HG3 LYS A 64 6.628 -0.615 -9.398 1.00 0.00 H ATOM 186 HD2 LYS A 64 4.922 0.484 -10.873 1.00 0.00 H ATOM 187 HD3 LYS A 64 6.188 0.704 -12.103 1.00 0.00 H ATOM 188 HE2 LYS A 64 5.274 -1.961 -10.993 1.00 0.00 H ATOM 189 HE3 LYS A 64 6.467 -1.701 -12.287 1.00 0.00 H ATOM 190 HZ1 LYS A 64 3.621 -0.821 -12.344 1.00 0.00 H ATOM 191 HZ2 LYS A 64 4.760 -0.573 -13.580 1.00 0.00 H ATOM 192 HZ3 LYS A 64 4.263 -2.149 -13.187 1.00 0.00 H ATOM 193 H LYS A 64 7.751 3.582 -8.098 1.00 0.00 H ATOM 194 N ILE A 65 10.546 1.174 -8.328 1.00 28.57 N ATOM 195 CA ILE A 65 11.828 0.885 -8.906 1.00 28.03 C ATOM 196 C ILE A 65 12.044 -0.603 -8.991 1.00 27.93 C ATOM 197 O ILE A 65 11.625 -1.338 -8.134 1.00 26.28 O ATOM 198 CB ILE A 65 12.913 1.570 -8.193 1.00 28.11 C ATOM 199 CG1 ILE A 65 13.002 1.077 -6.784 1.00 28.96 C ATOM 200 CG2 ILE A 65 12.618 3.010 -8.164 1.00 27.11 C ATOM 201 CD1 ILE A 65 14.307 1.227 -6.281 1.00 23.11 C ATOM 202 HA ILE A 65 11.841 1.276 -9.923 1.00 0.00 H ATOM 203 HB ILE A 65 13.856 1.374 -8.703 1.00 0.00 H ATOM 204 HG12 ILE A 65 12.312 1.647 -6.162 1.00 0.00 H ATOM 205 HG13 ILE A 65 12.728 0.022 -6.757 1.00 0.00 H ATOM 206 HD11 ILE A 65 15.001 0.655 -6.897 1.00 0.00 H ATOM 207 HD12 ILE A 65 14.584 2.281 -6.302 1.00 0.00 H ATOM 208 HD13 ILE A 65 14.344 0.861 -5.255 1.00 0.00 H ATOM 209 HG21 ILE A 65 12.548 3.386 -9.185 1.00 0.00 H ATOM 210 HG22 ILE A 65 11.672 3.175 -7.649 1.00 0.00 H ATOM 211 HG23 ILE A 65 13.416 3.533 -7.637 1.00 0.00 H ATOM 212 H ILE A 65 10.424 1.202 -7.296 1.00 0.00 H ATOM 213 N PRO A 66 12.673 -1.043 -10.053 1.00 26.84 N ATOM 214 CA PRO A 66 12.836 -2.498 -10.184 1.00 27.15 C ATOM 215 C PRO A 66 13.729 -3.054 -9.087 1.00 25.81 C ATOM 216 O PRO A 66 14.591 -2.318 -8.564 1.00 26.61 O ATOM 217 CB PRO A 66 13.474 -2.664 -11.554 1.00 27.79 C ATOM 218 CG PRO A 66 13.120 -1.382 -12.278 1.00 28.74 C ATOM 219 CD PRO A 66 13.069 -0.320 -11.308 1.00 26.51 C ATOM 220 HA PRO A 66 11.894 -3.039 -10.089 1.00 0.00 H ATOM 221 HD3 PRO A 66 14.042 0.159 -11.197 1.00 0.00 H ATOM 222 HD2 PRO A 66 12.326 0.429 -11.582 1.00 0.00 H ATOM 223 HG3 PRO A 66 12.149 -1.487 -12.763 1.00 0.00 H ATOM 224 HG2 PRO A 66 13.878 -1.160 -13.029 1.00 0.00 H ATOM 225 HB2 PRO A 66 14.555 -2.775 -11.468 1.00 0.00 H ATOM 226 HB3 PRO A 66 13.061 -3.529 -12.072 1.00 0.00 H ATOM 227 N ARG A 67 13.439 -4.291 -8.699 1.00 25.56 N ATOM 228 CA ARG A 67 14.272 -5.037 -7.740 1.00 23.99 C ATOM 229 C ARG A 67 15.773 -4.877 -8.000 1.00 23.90 C ATOM 230 O ARG A 67 16.596 -4.601 -7.096 1.00 22.47 O ATOM 231 CB ARG A 67 13.907 -6.498 -7.838 1.00 22.82 C ATOM 232 CG ARG A 67 14.663 -7.404 -6.856 1.00 21.45 C ATOM 233 CD ARG A 67 14.243 -8.819 -7.126 1.00 25.48 C ATOM 234 NE ARG A 67 15.081 -9.833 -6.487 1.00 25.87 N ATOM 235 CZ ARG A 67 14.709 -10.528 -5.387 1.00 25.45 C ATOM 236 NH1 ARG A 67 13.540 -10.351 -4.820 1.00 25.48 N ATOM 237 NH2 ARG A 67 15.527 -11.466 -4.918 1.00 26.99 N ATOM 238 HA ARG A 67 14.078 -4.636 -6.745 1.00 0.00 H ATOM 239 HB2 ARG A 67 12.839 -6.598 -7.642 1.00 0.00 H ATOM 240 HB3 ARG A 67 14.123 -6.837 -8.851 1.00 0.00 H ATOM 241 HG2 ARG A 67 15.738 -7.300 -7.006 1.00 0.00 H ATOM 242 HG3 ARG A 67 14.413 -7.131 -5.831 1.00 0.00 H ATOM 243 HD2 ARG A 67 14.271 -8.983 -8.203 1.00 0.00 H ATOM 244 HD3 ARG A 67 13.222 -8.946 -6.767 1.00 0.00 H ATOM 245 HE ARG A 67 16.014 -10.031 -6.901 1.00 0.00 H ATOM 246 HH12 ARG A 67 13.283 -10.901 -3.975 1.00 0.00 H ATOM 247 HH11 ARG A 67 12.870 -9.661 -5.215 1.00 0.00 H ATOM 248 HH22 ARG A 67 15.262 -12.013 -4.074 1.00 0.00 H ATOM 249 HH21 ARG A 67 16.432 -11.653 -5.395 1.00 0.00 H ATOM 250 H ARG A 67 12.591 -4.751 -9.087 1.00 0.00 H ATOM 251 N ALA A 68 16.163 -5.045 -9.274 1.00 24.13 N ATOM 252 CA ALA A 68 17.565 -4.892 -9.640 1.00 24.72 C ATOM 253 C ALA A 68 18.097 -3.475 -9.399 1.00 24.95 C ATOM 254 O ALA A 68 19.225 -3.329 -8.961 1.00 26.09 O ATOM 255 CB ALA A 68 17.796 -5.326 -11.124 1.00 23.77 C ATOM 256 HA ALA A 68 18.133 -5.551 -8.983 1.00 0.00 H ATOM 257 HB1 ALA A 68 17.511 -6.371 -11.244 1.00 0.00 H ATOM 258 HB2 ALA A 68 17.189 -4.704 -11.782 1.00 0.00 H ATOM 259 HB3 ALA A 68 18.849 -5.204 -11.377 1.00 0.00 H ATOM 260 H ALA A 68 15.461 -5.285 -10.003 1.00 0.00 H ATOM 261 N LYS A 69 17.323 -2.428 -9.658 1.00 23.65 N ATOM 262 CA LYS A 69 17.817 -1.074 -9.426 1.00 26.62 C ATOM 263 C LYS A 69 17.921 -0.818 -7.936 1.00 24.55 C ATOM 264 O LYS A 69 18.830 -0.136 -7.525 1.00 24.20 O ATOM 265 CB LYS A 69 16.934 0.014 -9.994 1.00 28.17 C ATOM 266 CG LYS A 69 16.667 -0.112 -11.488 1.00 34.34 C ATOM 267 CD LYS A 69 17.885 -0.298 -12.403 1.00 40.73 C ATOM 268 CE LYS A 69 17.589 -1.420 -13.434 1.00 44.07 C ATOM 269 NZ LYS A 69 18.825 -1.884 -14.181 1.00 41.79 N ATOM 270 HA LYS A 69 18.781 -1.030 -9.933 1.00 0.00 H ATOM 271 HB2 LYS A 69 15.977 -0.015 -9.472 1.00 0.00 H ATOM 272 HB3 LYS A 69 17.416 0.975 -9.813 1.00 0.00 H ATOM 273 HG2 LYS A 69 16.012 -0.971 -11.633 1.00 0.00 H ATOM 274 HG3 LYS A 69 16.152 0.794 -11.807 1.00 0.00 H ATOM 275 HD2 LYS A 69 18.091 0.634 -12.929 1.00 0.00 H ATOM 276 HD3 LYS A 69 18.752 -0.574 -11.803 1.00 0.00 H ATOM 277 HE2 LYS A 69 16.866 -1.044 -14.158 1.00 0.00 H ATOM 278 HE3 LYS A 69 17.162 -2.273 -12.906 1.00 0.00 H ATOM 279 HZ1 LYS A 69 19.238 -1.082 -14.698 1.00 0.00 H ATOM 280 HZ2 LYS A 69 19.520 -2.255 -13.502 1.00 0.00 H ATOM 281 HZ3 LYS A 69 18.562 -2.633 -14.853 1.00 0.00 H ATOM 282 H LYS A 69 16.362 -2.573 -10.027 1.00 0.00 H ATOM 283 N ALA A 70 16.978 -1.352 -7.170 1.00 24.88 N ATOM 284 CA ALA A 70 17.139 -1.297 -5.681 1.00 24.24 C ATOM 285 C ALA A 70 18.487 -1.934 -5.238 1.00 24.86 C ATOM 286 O ALA A 70 19.222 -1.344 -4.412 1.00 25.05 O ATOM 287 CB ALA A 70 15.950 -2.024 -5.002 1.00 25.92 C ATOM 288 HA ALA A 70 17.148 -0.252 -5.372 1.00 0.00 H ATOM 289 HB1 ALA A 70 15.018 -1.535 -5.284 1.00 0.00 H ATOM 290 HB2 ALA A 70 15.929 -3.064 -5.326 1.00 0.00 H ATOM 291 HB3 ALA A 70 16.070 -1.982 -3.919 1.00 0.00 H ATOM 292 H ALA A 70 16.142 -1.801 -7.596 1.00 0.00 H ATOM 293 N GLU A 71 18.841 -3.092 -5.824 1.00 23.78 N ATOM 294 CA GLU A 71 20.144 -3.707 -5.552 1.00 24.29 C ATOM 295 C GLU A 71 21.296 -2.842 -5.988 1.00 25.17 C ATOM 296 O GLU A 71 22.244 -2.670 -5.223 1.00 23.12 O ATOM 297 CB GLU A 71 20.246 -5.039 -6.208 1.00 24.52 C ATOM 298 CG GLU A 71 19.328 -6.057 -5.561 1.00 26.21 C ATOM 299 CD GLU A 71 19.370 -7.454 -6.194 1.00 35.15 C ATOM 300 OE1 GLU A 71 19.787 -7.633 -7.383 1.00 41.74 O ATOM 301 OE2 GLU A 71 18.902 -8.404 -5.531 1.00 29.24 O ATOM 302 HA GLU A 71 20.209 -3.824 -4.470 1.00 0.00 H ATOM 303 HB2 GLU A 71 19.975 -4.937 -7.259 1.00 0.00 H ATOM 304 HB3 GLU A 71 21.274 -5.392 -6.132 1.00 0.00 H ATOM 305 HG2 GLU A 71 19.610 -6.151 -4.512 1.00 0.00 H ATOM 306 HG3 GLU A 71 18.306 -5.684 -5.629 1.00 0.00 H ATOM 307 H GLU A 71 18.181 -3.558 -6.479 1.00 0.00 H ATOM 308 N GLU A 72 21.241 -2.303 -7.207 1.00 25.16 N ATOM 309 CA GLU A 72 22.215 -1.342 -7.637 1.00 25.97 C ATOM 310 C GLU A 72 22.437 -0.184 -6.707 1.00 25.05 C ATOM 311 O GLU A 72 23.593 0.080 -6.360 1.00 26.80 O ATOM 312 CB GLU A 72 21.924 -0.844 -9.060 1.00 25.11 C ATOM 313 CG GLU A 72 22.802 0.390 -9.427 1.00 27.68 C ATOM 314 CD GLU A 72 22.479 0.966 -10.808 1.00 30.69 C ATOM 315 OE1 GLU A 72 21.527 0.486 -11.500 1.00 30.76 O ATOM 316 OE2 GLU A 72 23.159 1.947 -11.211 1.00 34.94 O ATOM 317 HA GLU A 72 23.154 -1.896 -7.627 1.00 0.00 H ATOM 318 HB2 GLU A 72 22.131 -1.648 -9.766 1.00 0.00 H ATOM 319 HB3 GLU A 72 20.873 -0.564 -9.129 1.00 0.00 H ATOM 320 HG2 GLU A 72 22.639 1.167 -8.680 1.00 0.00 H ATOM 321 HG3 GLU A 72 23.849 0.088 -9.413 1.00 0.00 H ATOM 322 H GLU A 72 20.479 -2.584 -7.856 1.00 0.00 H ATOM 323 N MET A 73 21.361 0.455 -6.229 1.00 24.82 N ATOM 324 CA MET A 73 21.452 1.681 -5.455 1.00 25.38 C ATOM 325 C MET A 73 22.026 1.267 -4.062 1.00 25.22 C ATOM 326 O MET A 73 22.985 1.886 -3.505 1.00 24.20 O ATOM 327 CB MET A 73 20.045 2.278 -5.312 1.00 24.54 C ATOM 328 CG MET A 73 20.029 3.629 -4.621 1.00 29.41 C ATOM 329 SD MET A 73 19.942 3.418 -2.813 1.00 30.76 S ATOM 330 CE MET A 73 18.202 3.552 -2.560 1.00 36.80 C ATOM 331 HA MET A 73 22.089 2.430 -5.925 1.00 0.00 H ATOM 332 HB2 MET A 73 19.616 2.394 -6.307 1.00 0.00 H ATOM 333 HB3 MET A 73 19.433 1.586 -4.733 1.00 0.00 H ATOM 334 HG2 MET A 73 19.161 4.195 -4.959 1.00 0.00 H ATOM 335 HG3 MET A 73 20.938 4.174 -4.876 1.00 0.00 H ATOM 336 HE1 MET A 73 17.860 4.527 -2.906 1.00 0.00 H ATOM 337 HE2 MET A 73 17.693 2.767 -3.120 1.00 0.00 H ATOM 338 HE3 MET A 73 17.981 3.444 -1.498 1.00 0.00 H ATOM 339 H MET A 73 20.420 0.056 -6.420 1.00 0.00 H ATOM 340 N LEU A 74 21.454 0.213 -3.487 1.00 25.92 N ATOM 341 CA LEU A 74 21.896 -0.192 -2.128 1.00 26.05 C ATOM 342 C LEU A 74 23.326 -0.715 -2.013 1.00 28.69 C ATOM 343 O LEU A 74 23.992 -0.557 -0.961 1.00 29.82 O ATOM 344 CB LEU A 74 20.841 -1.092 -1.432 1.00 26.34 C ATOM 345 CG LEU A 74 19.550 -0.331 -1.124 1.00 24.03 C ATOM 346 CD1 LEU A 74 18.404 -1.310 -0.752 1.00 29.17 C ATOM 347 CD2 LEU A 74 19.631 0.796 -0.018 1.00 25.67 C ATOM 348 HA LEU A 74 21.955 0.741 -1.567 1.00 0.00 H ATOM 349 HB2 LEU A 74 20.607 -1.931 -2.087 1.00 0.00 H ATOM 350 HB3 LEU A 74 21.260 -1.467 -0.498 1.00 0.00 H ATOM 351 HG LEU A 74 19.351 0.195 -2.058 1.00 0.00 H ATOM 352 HD21 LEU A 74 19.945 0.354 0.927 1.00 0.00 H ATOM 353 HD22 LEU A 74 20.353 1.553 -0.324 1.00 0.00 H ATOM 354 HD23 LEU A 74 18.650 1.256 0.103 1.00 0.00 H ATOM 355 HD11 LEU A 74 18.221 -1.987 -1.586 1.00 0.00 H ATOM 356 HD12 LEU A 74 18.691 -1.885 0.128 1.00 0.00 H ATOM 357 HD13 LEU A 74 17.498 -0.743 -0.538 1.00 0.00 H ATOM 358 H LEU A 74 20.709 -0.319 -3.981 1.00 0.00 H ATOM 359 N SER A 75 23.820 -1.252 -3.102 1.00 27.49 N ATOM 360 CA SER A 75 25.166 -1.745 -3.142 1.00 28.11 C ATOM 361 C SER A 75 26.216 -0.697 -2.891 1.00 27.30 C ATOM 362 O SER A 75 27.304 -1.012 -2.553 1.00 29.17 O ATOM 363 CB SER A 75 25.426 -2.376 -4.482 1.00 27.41 C ATOM 364 OG SER A 75 24.801 -3.617 -4.523 1.00 26.35 O ATOM 365 HA SER A 75 25.245 -2.468 -2.330 1.00 0.00 H ATOM 366 HB2 SER A 75 26.499 -2.501 -4.626 1.00 0.00 H ATOM 367 HB3 SER A 75 25.027 -1.738 -5.271 1.00 0.00 H ATOM 368 HG SER A 75 23.827 -3.499 -4.391 1.00 0.00 H ATOM 369 H SER A 75 23.225 -1.322 -3.952 1.00 0.00 H ATOM 370 N LYS A 76 25.859 0.539 -3.125 1.00 28.39 N ATOM 371 CA LYS A 76 26.770 1.700 -2.991 1.00 27.67 C ATOM 372 C LYS A 76 26.704 2.280 -1.617 1.00 29.20 C ATOM 373 O LYS A 76 27.501 3.177 -1.275 1.00 30.26 O ATOM 374 CB LYS A 76 26.452 2.762 -4.004 1.00 27.00 C ATOM 375 CG LYS A 76 26.708 2.202 -5.450 1.00 26.45 C ATOM 376 CD LYS A 76 26.482 3.253 -6.491 1.00 29.92 C ATOM 377 CE LYS A 76 25.021 3.447 -6.688 1.00 33.01 C ATOM 378 NZ LYS A 76 24.851 4.561 -7.674 1.00 37.93 N ATOM 379 HA LYS A 76 27.782 1.337 -3.172 1.00 0.00 H ATOM 380 HB2 LYS A 76 25.407 3.055 -3.908 1.00 0.00 H ATOM 381 HB3 LYS A 76 27.088 3.630 -3.833 1.00 0.00 H ATOM 382 HG2 LYS A 76 27.738 1.851 -5.518 1.00 0.00 H ATOM 383 HG3 LYS A 76 26.029 1.369 -5.633 1.00 0.00 H ATOM 384 HD2 LYS A 76 26.933 4.190 -6.166 1.00 0.00 H ATOM 385 HD3 LYS A 76 26.937 2.939 -7.430 1.00 0.00 H ATOM 386 HE2 LYS A 76 24.548 3.710 -5.742 1.00 0.00 H ATOM 387 HE3 LYS A 76 24.572 2.533 -7.076 1.00 0.00 H ATOM 388 HZ1 LYS A 76 25.288 5.426 -7.297 1.00 0.00 H ATOM 389 HZ2 LYS A 76 25.310 4.302 -8.570 1.00 0.00 H ATOM 390 HZ3 LYS A 76 23.837 4.726 -7.837 1.00 0.00 H ATOM 391 H LYS A 76 24.879 0.718 -3.422 1.00 0.00 H ATOM 392 N GLN A 77 25.759 1.785 -0.822 1.00 27.20 N ATOM 393 CA GLN A 77 25.623 2.319 0.531 1.00 25.81 C ATOM 394 C GLN A 77 26.728 1.687 1.368 1.00 27.51 C ATOM 395 O GLN A 77 27.051 0.515 1.220 1.00 28.48 O ATOM 396 CB GLN A 77 24.227 2.017 1.102 1.00 24.55 C ATOM 397 CG GLN A 77 23.132 2.829 0.465 1.00 25.26 C ATOM 398 CD GLN A 77 23.217 4.296 0.766 1.00 32.81 C ATOM 399 OE1 GLN A 77 23.152 4.708 1.917 1.00 31.99 O ATOM 400 NE2 GLN A 77 23.359 5.116 -0.281 1.00 33.24 N ATOM 401 HA GLN A 77 25.722 3.404 0.537 1.00 0.00 H ATOM 402 HB2 GLN A 77 24.010 0.960 0.945 1.00 0.00 H ATOM 403 HB3 GLN A 77 24.237 2.229 2.171 1.00 0.00 H ATOM 404 HG2 GLN A 77 23.188 2.695 -0.615 1.00 0.00 H ATOM 405 HG3 GLN A 77 22.173 2.458 0.827 1.00 0.00 H ATOM 406 HE22 GLN A 77 23.410 4.726 -1.244 1.00 0.00 H ATOM 407 HE21 GLN A 77 23.418 6.144 -0.132 1.00 0.00 H ATOM 408 H GLN A 77 25.127 1.030 -1.158 1.00 0.00 H ATOM 409 N ARG A 78 27.311 2.460 2.293 1.00 27.24 N ATOM 410 CA ARG A 78 28.323 1.910 3.127 1.00 28.08 C ATOM 411 C ARG A 78 27.848 1.133 4.335 1.00 27.93 C ATOM 412 O ARG A 78 28.610 0.291 4.821 1.00 29.10 O ATOM 413 CB ARG A 78 29.237 3.029 3.675 1.00 27.67 C ATOM 414 CG ARG A 78 30.077 3.695 2.605 1.00 28.11 C ATOM 415 CD ARG A 78 30.777 4.901 3.186 1.00 27.58 C ATOM 416 NE ARG A 78 31.966 5.247 2.415 1.00 24.33 N ATOM 417 CZ ARG A 78 32.790 6.218 2.777 1.00 26.21 C ATOM 418 NH1 ARG A 78 32.538 6.941 3.894 1.00 24.42 N ATOM 419 NH2 ARG A 78 33.868 6.444 2.077 1.00 22.82 N ATOM 420 HA ARG A 78 28.831 1.211 2.463 1.00 0.00 H ATOM 421 HB2 ARG A 78 28.611 3.787 4.146 1.00 0.00 H ATOM 422 HB3 ARG A 78 29.905 2.597 4.420 1.00 0.00 H ATOM 423 HG2 ARG A 78 30.819 2.988 2.234 1.00 0.00 H ATOM 424 HG3 ARG A 78 29.434 4.010 1.783 1.00 0.00 H ATOM 425 HD2 ARG A 78 31.071 4.681 4.212 1.00 0.00 H ATOM 426 HD3 ARG A 78 30.091 5.748 3.179 1.00 0.00 H ATOM 427 HE ARG A 78 32.174 4.711 1.549 1.00 0.00 H ATOM 428 HH12 ARG A 78 33.186 7.703 4.177 1.00 0.00 H ATOM 429 HH11 ARG A 78 31.696 6.734 4.469 1.00 0.00 H ATOM 430 HH22 ARG A 78 34.519 7.205 2.356 1.00 0.00 H ATOM 431 HH21 ARG A 78 34.076 5.863 1.240 1.00 0.00 H ATOM 432 H ARG A 78 27.026 3.454 2.401 1.00 0.00 H ATOM 433 N HIS A 79 26.652 1.421 4.859 1.00 26.99 N ATOM 434 CA HIS A 79 26.304 0.941 6.209 1.00 27.20 C ATOM 435 C HIS A 79 25.181 -0.102 6.180 1.00 27.53 C ATOM 436 O HIS A 79 24.164 0.130 5.569 1.00 27.83 O ATOM 437 CB HIS A 79 25.894 2.120 7.030 1.00 28.52 C ATOM 438 CG HIS A 79 27.008 3.087 7.147 1.00 29.11 C ATOM 439 ND1 HIS A 79 28.149 2.783 7.852 1.00 29.77 N ATOM 440 CD2 HIS A 79 27.218 4.286 6.569 1.00 30.55 C ATOM 441 CE1 HIS A 79 29.008 3.785 7.739 1.00 31.60 C ATOM 442 NE2 HIS A 79 28.452 4.720 6.987 1.00 31.01 N ATOM 443 HA HIS A 79 27.175 0.450 6.644 1.00 0.00 H ATOM 444 HB2 HIS A 79 25.043 2.609 6.555 1.00 0.00 H ATOM 445 HB3 HIS A 79 25.607 1.781 8.026 1.00 0.00 H ATOM 446 HD2 HIS A 79 26.538 4.811 5.898 1.00 0.00 H ATOM 447 HE1 HIS A 79 30.000 3.831 8.188 1.00 0.00 H ATOM 448 H HIS A 79 25.967 1.983 4.314 1.00 0.00 H ATOM 449 N ASP A 80 25.397 -1.243 6.844 1.00 27.95 N ATOM 450 CA ASP A 80 24.380 -2.292 6.832 1.00 26.26 C ATOM 451 C ASP A 80 23.135 -1.754 7.440 1.00 26.23 C ATOM 452 O ASP A 80 23.192 -1.032 8.450 1.00 27.01 O ATOM 453 CB ASP A 80 24.868 -3.544 7.613 1.00 27.54 C ATOM 454 CG ASP A 80 26.068 -4.207 6.937 1.00 27.45 C ATOM 455 OD1 ASP A 80 26.742 -4.991 7.582 1.00 34.05 O ATOM 456 OD2 ASP A 80 26.327 -3.977 5.737 1.00 30.90 O ATOM 457 HA ASP A 80 24.187 -2.599 5.804 1.00 0.00 H ATOM 458 HB2 ASP A 80 25.154 -3.242 8.621 1.00 0.00 H ATOM 459 HB3 ASP A 80 24.052 -4.265 7.669 1.00 0.00 H ATOM 460 H ASP A 80 26.285 -1.383 7.367 1.00 0.00 H ATOM 461 N GLY A 81 21.997 -2.162 6.883 1.00 23.88 N ATOM 462 CA GLY A 81 20.717 -1.632 7.321 1.00 25.17 C ATOM 463 C GLY A 81 20.166 -0.552 6.410 1.00 24.08 C ATOM 464 O GLY A 81 18.987 -0.262 6.438 1.00 23.10 O ATOM 465 HA3 GLY A 81 20.840 -1.212 8.319 1.00 0.00 H ATOM 466 HA2 GLY A 81 19.999 -2.451 7.359 1.00 0.00 H ATOM 467 H GLY A 81 22.024 -2.871 6.123 1.00 0.00 H ATOM 468 N ALA A 82 21.013 0.034 5.558 1.00 22.88 N ATOM 469 CA ALA A 82 20.505 1.046 4.652 1.00 21.88 C ATOM 470 C ALA A 82 19.425 0.398 3.816 1.00 21.25 C ATOM 471 O ALA A 82 19.616 -0.737 3.339 1.00 22.62 O ATOM 472 CB ALA A 82 21.638 1.587 3.792 1.00 21.89 C ATOM 473 HA ALA A 82 20.087 1.894 5.195 1.00 0.00 H ATOM 474 HB1 ALA A 82 22.401 2.028 4.434 1.00 0.00 H ATOM 475 HB2 ALA A 82 22.074 0.772 3.214 1.00 0.00 H ATOM 476 HB3 ALA A 82 21.248 2.346 3.115 1.00 0.00 H ATOM 477 H ALA A 82 22.019 -0.231 5.545 1.00 0.00 H ATOM 478 N PHE A 83 18.306 1.069 3.609 1.00 21.42 N ATOM 479 CA PHE A 83 17.138 0.374 3.019 1.00 20.42 C ATOM 480 C PHE A 83 16.251 1.311 2.220 1.00 21.27 C ATOM 481 O PHE A 83 16.352 2.582 2.299 1.00 21.84 O ATOM 482 CB PHE A 83 16.256 -0.238 4.156 1.00 21.57 C ATOM 483 CG PHE A 83 15.462 0.769 4.864 1.00 22.49 C ATOM 484 CD1 PHE A 83 14.126 0.964 4.565 1.00 22.37 C ATOM 485 CD2 PHE A 83 16.056 1.624 5.818 1.00 21.28 C ATOM 486 CE1 PHE A 83 13.385 1.970 5.208 1.00 21.72 C ATOM 487 CE2 PHE A 83 15.359 2.658 6.410 1.00 23.53 C ATOM 488 CZ PHE A 83 14.009 2.815 6.153 1.00 22.46 C ATOM 489 HA PHE A 83 17.536 -0.395 2.357 1.00 0.00 H ATOM 490 HB2 PHE A 83 15.578 -0.970 3.716 1.00 0.00 H ATOM 491 HB3 PHE A 83 16.909 -0.735 4.874 1.00 0.00 H ATOM 492 HD2 PHE A 83 17.098 1.462 6.096 1.00 0.00 H ATOM 493 HE2 PHE A 83 15.872 3.349 7.079 1.00 0.00 H ATOM 494 HZ PHE A 83 13.434 3.581 6.673 1.00 0.00 H ATOM 495 HE1 PHE A 83 12.327 2.099 4.977 1.00 0.00 H ATOM 496 HD1 PHE A 83 13.642 0.330 3.822 1.00 0.00 H ATOM 497 H PHE A 83 18.245 2.077 3.858 1.00 0.00 H ATOM 498 N LEU A 84 15.347 0.668 1.515 1.00 21.11 N ATOM 499 CA LEU A 84 14.240 1.370 0.896 1.00 21.44 C ATOM 500 C LEU A 84 13.002 0.461 0.845 1.00 20.66 C ATOM 501 O LEU A 84 13.125 -0.782 0.879 1.00 21.76 O ATOM 502 CB LEU A 84 14.625 1.810 -0.519 1.00 21.84 C ATOM 503 CG LEU A 84 15.027 0.719 -1.518 1.00 22.00 C ATOM 504 CD1 LEU A 84 13.843 0.126 -2.341 1.00 25.49 C ATOM 505 CD2 LEU A 84 15.997 1.410 -2.411 1.00 25.37 C ATOM 506 HA LEU A 84 14.005 2.253 1.490 1.00 0.00 H ATOM 507 HB2 LEU A 84 13.770 2.339 -0.940 1.00 0.00 H ATOM 508 HB3 LEU A 84 15.467 2.496 -0.429 1.00 0.00 H ATOM 509 HG LEU A 84 15.431 -0.150 -0.998 1.00 0.00 H ATOM 510 HD21 LEU A 84 15.506 2.256 -2.893 1.00 0.00 H ATOM 511 HD22 LEU A 84 16.842 1.766 -1.821 1.00 0.00 H ATOM 512 HD23 LEU A 84 16.351 0.712 -3.170 1.00 0.00 H ATOM 513 HD11 LEU A 84 13.116 -0.319 -1.661 1.00 0.00 H ATOM 514 HD12 LEU A 84 13.367 0.921 -2.914 1.00 0.00 H ATOM 515 HD13 LEU A 84 14.221 -0.638 -3.021 1.00 0.00 H ATOM 516 H LEU A 84 15.427 -0.362 1.399 1.00 0.00 H ATOM 517 N ILE A 85 11.845 1.101 0.706 1.00 20.01 N ATOM 518 CA ILE A 85 10.554 0.449 0.378 1.00 19.85 C ATOM 519 C ILE A 85 10.274 0.716 -1.099 1.00 20.42 C ATOM 520 O ILE A 85 10.435 1.842 -1.547 1.00 23.66 O ATOM 521 CB ILE A 85 9.479 1.055 1.208 1.00 20.67 C ATOM 522 CG1 ILE A 85 9.684 0.593 2.672 1.00 22.20 C ATOM 523 CG2 ILE A 85 8.127 0.481 0.769 1.00 21.14 C ATOM 524 CD1 ILE A 85 9.332 -0.915 2.928 1.00 24.39 C ATOM 525 HA ILE A 85 10.591 -0.622 0.575 1.00 0.00 H ATOM 526 HB ILE A 85 9.506 2.140 1.107 1.00 0.00 H ATOM 527 HG12 ILE A 85 10.730 0.750 2.937 1.00 0.00 H ATOM 528 HG13 ILE A 85 9.052 1.205 3.315 1.00 0.00 H ATOM 529 HD11 ILE A 85 8.285 -1.089 2.681 1.00 0.00 H ATOM 530 HD12 ILE A 85 9.964 -1.546 2.302 1.00 0.00 H ATOM 531 HD13 ILE A 85 9.504 -1.154 3.978 1.00 0.00 H ATOM 532 HG21 ILE A 85 7.958 0.716 -0.282 1.00 0.00 H ATOM 533 HG22 ILE A 85 8.132 -0.601 0.905 1.00 0.00 H ATOM 534 HG23 ILE A 85 7.334 0.921 1.373 1.00 0.00 H ATOM 535 H ILE A 85 11.845 2.133 0.837 1.00 0.00 H ATOM 536 N ARG A 86 9.905 -0.312 -1.831 1.00 21.70 N ATOM 537 CA ARG A 86 9.528 -0.146 -3.239 1.00 21.53 C ATOM 538 C ARG A 86 8.236 -0.870 -3.474 1.00 22.96 C ATOM 539 O ARG A 86 7.789 -1.718 -2.707 1.00 21.95 O ATOM 540 CB ARG A 86 10.619 -0.675 -4.141 1.00 19.38 C ATOM 541 CG ARG A 86 10.990 -2.190 -4.025 1.00 17.76 C ATOM 542 CD ARG A 86 12.173 -2.602 -4.916 1.00 13.29 C ATOM 543 NE ARG A 86 12.634 -3.886 -4.415 1.00 20.34 N ATOM 544 CZ ARG A 86 12.059 -5.073 -4.699 1.00 22.10 C ATOM 545 NH1 ARG A 86 11.068 -5.159 -5.644 1.00 24.51 N ATOM 546 NH2 ARG A 86 12.478 -6.198 -4.154 1.00 21.37 N ATOM 547 HA ARG A 86 9.397 0.911 -3.469 1.00 0.00 H ATOM 548 HB2 ARG A 86 10.307 -0.494 -5.170 1.00 0.00 H ATOM 549 HB3 ARG A 86 11.522 -0.102 -3.930 1.00 0.00 H ATOM 550 HG2 ARG A 86 11.248 -2.404 -2.988 1.00 0.00 H ATOM 551 HG3 ARG A 86 10.120 -2.781 -4.311 1.00 0.00 H ATOM 552 HD2 ARG A 86 12.971 -1.862 -4.850 1.00 0.00 H ATOM 553 HD3 ARG A 86 11.850 -2.695 -5.953 1.00 0.00 H ATOM 554 HE ARG A 86 13.467 -3.890 -3.793 1.00 0.00 H ATOM 555 HH12 ARG A 86 10.630 -6.078 -5.856 1.00 0.00 H ATOM 556 HH11 ARG A 86 10.754 -4.305 -6.148 1.00 0.00 H ATOM 557 HH22 ARG A 86 12.013 -7.097 -4.394 1.00 0.00 H ATOM 558 HH21 ARG A 86 13.273 -6.187 -3.484 1.00 0.00 H ATOM 559 H ARG A 86 9.880 -1.260 -1.404 1.00 0.00 H ATOM 560 N GLU A 87 7.623 -0.561 -4.603 1.00 22.62 N ATOM 561 CA GLU A 87 6.373 -1.185 -4.961 1.00 23.67 C ATOM 562 C GLU A 87 6.766 -2.311 -5.890 1.00 25.14 C ATOM 563 O GLU A 87 7.373 -2.032 -6.949 1.00 23.85 O ATOM 564 CB GLU A 87 5.546 -0.080 -5.680 1.00 22.91 C ATOM 565 CG GLU A 87 5.270 1.093 -4.790 1.00 21.97 C ATOM 566 CD GLU A 87 4.172 1.949 -5.297 1.00 24.07 C ATOM 567 OE1 GLU A 87 3.001 1.549 -5.135 1.00 25.84 O ATOM 568 OE2 GLU A 87 4.506 3.015 -5.882 1.00 26.71 O ATOM 569 HA GLU A 87 5.780 -1.581 -4.136 1.00 0.00 H ATOM 570 HB2 GLU A 87 6.103 0.264 -6.551 1.00 0.00 H ATOM 571 HB3 GLU A 87 4.596 -0.507 -6.003 1.00 0.00 H ATOM 572 HG2 GLU A 87 4.997 0.724 -3.801 1.00 0.00 H ATOM 573 HG3 GLU A 87 6.176 1.695 -4.715 1.00 0.00 H ATOM 574 H GLU A 87 8.047 0.141 -5.242 1.00 0.00 H ATOM 575 N SER A 88 6.424 -3.570 -5.565 1.00 22.90 N ATOM 576 CA SER A 88 6.938 -4.750 -6.281 1.00 22.90 C ATOM 577 C SER A 88 6.425 -4.708 -7.706 1.00 23.60 C ATOM 578 O SER A 88 5.307 -4.293 -7.923 1.00 23.86 O ATOM 579 CB SER A 88 6.366 -6.024 -5.662 1.00 23.07 C ATOM 580 OG SER A 88 6.844 -7.190 -6.333 1.00 23.01 O ATOM 581 HA SER A 88 8.027 -4.745 -6.231 1.00 0.00 H ATOM 582 HB2 SER A 88 5.279 -5.995 -5.732 1.00 0.00 H ATOM 583 HB3 SER A 88 6.660 -6.072 -4.614 1.00 0.00 H ATOM 584 HG SER A 88 7.831 -7.225 -6.269 1.00 0.00 H ATOM 585 H SER A 88 5.767 -3.717 -4.772 1.00 0.00 H ATOM 586 N GLU A 89 7.263 -5.104 -8.641 1.00 24.41 N ATOM 587 CA GLU A 89 6.807 -5.243 -10.013 1.00 27.07 C ATOM 588 C GLU A 89 6.241 -6.657 -10.264 1.00 27.08 C ATOM 589 O GLU A 89 5.301 -6.793 -11.086 1.00 28.50 O ATOM 590 CB GLU A 89 7.959 -5.007 -10.948 1.00 25.45 C ATOM 591 CG GLU A 89 8.509 -3.582 -10.875 1.00 25.86 C ATOM 592 CD GLU A 89 9.457 -3.329 -12.016 1.00 32.05 C ATOM 593 OE1 GLU A 89 9.186 -2.407 -12.793 1.00 34.49 O ATOM 594 OE2 GLU A 89 10.428 -4.076 -12.179 1.00 30.97 O ATOM 595 HA GLU A 89 6.019 -4.511 -10.189 1.00 0.00 H ATOM 596 HB2 GLU A 89 8.760 -5.702 -10.694 1.00 0.00 H ATOM 597 HB3 GLU A 89 7.623 -5.198 -11.967 1.00 0.00 H ATOM 598 HG2 GLU A 89 7.682 -2.874 -10.930 1.00 0.00 H ATOM 599 HG3 GLU A 89 9.038 -3.448 -9.931 1.00 0.00 H ATOM 600 H GLU A 89 8.251 -5.317 -8.397 1.00 0.00 H ATOM 601 N SER A 90 6.798 -7.680 -9.604 1.00 28.17 N ATOM 602 CA SER A 90 6.333 -9.090 -9.766 1.00 28.42 C ATOM 603 C SER A 90 4.997 -9.329 -9.072 1.00 30.25 C ATOM 604 O SER A 90 4.220 -10.239 -9.440 1.00 29.04 O ATOM 605 CB SER A 90 7.399 -10.067 -9.272 1.00 28.11 C ATOM 606 OG SER A 90 7.540 -9.977 -7.873 1.00 29.01 O ATOM 607 HA SER A 90 6.174 -9.267 -10.830 1.00 0.00 H ATOM 608 HB2 SER A 90 8.352 -9.828 -9.745 1.00 0.00 H ATOM 609 HB3 SER A 90 7.107 -11.083 -9.539 1.00 0.00 H ATOM 610 HG SER A 90 7.809 -9.056 -7.628 1.00 0.00 H ATOM 611 H SER A 90 7.585 -7.485 -8.953 1.00 0.00 H ATOM 612 N ALA A 91 4.728 -8.531 -8.048 1.00 29.56 N ATOM 613 CA ALA A 91 3.473 -8.638 -7.327 1.00 29.73 C ATOM 614 C ALA A 91 2.820 -7.257 -7.200 1.00 30.05 C ATOM 615 O ALA A 91 2.867 -6.642 -6.122 1.00 27.92 O ATOM 616 CB ALA A 91 3.710 -9.250 -5.950 1.00 29.37 C ATOM 617 HA ALA A 91 2.798 -9.289 -7.882 1.00 0.00 H ATOM 618 HB1 ALA A 91 4.143 -10.244 -6.065 1.00 0.00 H ATOM 619 HB2 ALA A 91 4.395 -8.617 -5.385 1.00 0.00 H ATOM 620 HB3 ALA A 91 2.761 -9.325 -5.419 1.00 0.00 H ATOM 621 H ALA A 91 5.427 -7.818 -7.757 1.00 0.00 H ATOM 622 N PRO A 92 2.202 -6.740 -8.291 1.00 30.97 N ATOM 623 CA PRO A 92 1.644 -5.356 -8.252 1.00 30.48 C ATOM 624 C PRO A 92 0.598 -5.185 -7.166 1.00 29.88 C ATOM 625 O PRO A 92 -0.266 -6.049 -6.997 1.00 30.95 O ATOM 626 CB PRO A 92 1.012 -5.135 -9.649 1.00 31.84 C ATOM 627 CG PRO A 92 1.370 -6.355 -10.408 1.00 31.62 C ATOM 628 CD PRO A 92 2.179 -7.334 -9.648 1.00 30.31 C ATOM 629 HA PRO A 92 2.425 -4.631 -8.023 1.00 0.00 H ATOM 630 HD3 PRO A 92 1.707 -8.316 -9.641 1.00 0.00 H ATOM 631 HD2 PRO A 92 3.185 -7.419 -10.059 1.00 0.00 H ATOM 632 HG3 PRO A 92 1.937 -6.054 -11.289 1.00 0.00 H ATOM 633 HG2 PRO A 92 0.448 -6.845 -10.721 1.00 0.00 H ATOM 634 HB2 PRO A 92 -0.070 -5.031 -9.572 1.00 0.00 H ATOM 635 HB3 PRO A 92 1.428 -4.247 -10.125 1.00 0.00 H ATOM 636 N GLY A 93 0.741 -4.101 -6.414 1.00 28.25 N ATOM 637 CA GLY A 93 -0.079 -3.794 -5.274 1.00 28.43 C ATOM 638 C GLY A 93 0.548 -4.238 -3.986 1.00 27.41 C ATOM 639 O GLY A 93 -0.013 -3.946 -2.937 1.00 28.39 O ATOM 640 HA3 GLY A 93 -1.040 -4.296 -5.388 1.00 0.00 H ATOM 641 HA2 GLY A 93 -0.236 -2.716 -5.235 1.00 0.00 H ATOM 642 H GLY A 93 1.495 -3.430 -6.666 1.00 0.00 H ATOM 643 N ASP A 94 1.680 -4.942 -4.057 1.00 25.86 N ATOM 644 CA ASP A 94 2.425 -5.296 -2.829 1.00 24.55 C ATOM 645 C ASP A 94 3.719 -4.506 -2.742 1.00 23.83 C ATOM 646 O ASP A 94 4.343 -4.143 -3.746 1.00 23.89 O ATOM 647 CB ASP A 94 2.804 -6.801 -2.765 1.00 25.41 C ATOM 648 CG ASP A 94 1.610 -7.721 -2.396 1.00 30.09 C ATOM 649 OD1 ASP A 94 0.440 -7.317 -2.531 1.00 36.18 O ATOM 650 OD2 ASP A 94 1.874 -8.846 -1.967 1.00 32.93 O ATOM 651 HA ASP A 94 1.755 -5.059 -2.002 1.00 0.00 H ATOM 652 HB2 ASP A 94 3.185 -7.104 -3.740 1.00 0.00 H ATOM 653 HB3 ASP A 94 3.585 -6.930 -2.015 1.00 0.00 H ATOM 654 H ASP A 94 2.041 -5.244 -4.984 1.00 0.00 H ATOM 655 N PHE A 95 4.161 -4.292 -1.513 1.00 22.43 N ATOM 656 CA PHE A 95 5.426 -3.642 -1.319 1.00 21.21 C ATOM 657 C PHE A 95 6.526 -4.626 -0.988 1.00 21.07 C ATOM 658 O PHE A 95 6.277 -5.734 -0.475 1.00 23.45 O ATOM 659 CB PHE A 95 5.314 -2.611 -0.187 1.00 20.78 C ATOM 660 CG PHE A 95 4.300 -1.555 -0.456 1.00 20.06 C ATOM 661 CD1 PHE A 95 2.972 -1.710 -0.006 1.00 24.99 C ATOM 662 CD2 PHE A 95 4.650 -0.419 -1.194 1.00 22.41 C ATOM 663 CE1 PHE A 95 2.013 -0.716 -0.260 1.00 24.77 C ATOM 664 CE2 PHE A 95 3.696 0.546 -1.475 1.00 22.39 C ATOM 665 CZ PHE A 95 2.386 0.399 -1.057 1.00 24.54 C ATOM 666 HA PHE A 95 5.685 -3.149 -2.256 1.00 0.00 H ATOM 667 HB2 PHE A 95 5.038 -3.131 0.730 1.00 0.00 H ATOM 668 HB3 PHE A 95 6.285 -2.134 -0.055 1.00 0.00 H ATOM 669 HD2 PHE A 95 5.673 -0.293 -1.548 1.00 0.00 H ATOM 670 HE2 PHE A 95 3.983 1.436 -2.035 1.00 0.00 H ATOM 671 HZ PHE A 95 1.638 1.140 -1.340 1.00 0.00 H ATOM 672 HE1 PHE A 95 1.005 -0.798 0.146 1.00 0.00 H ATOM 673 HD1 PHE A 95 2.688 -2.608 0.543 1.00 0.00 H ATOM 674 H PHE A 95 3.596 -4.593 -0.693 1.00 0.00 H ATOM 675 N SER A 96 7.755 -4.207 -1.237 1.00 22.43 N ATOM 676 CA SER A 96 8.931 -4.971 -0.817 1.00 22.39 C ATOM 677 C SER A 96 9.894 -4.025 -0.137 1.00 21.52 C ATOM 678 O SER A 96 10.042 -2.859 -0.482 1.00 20.95 O ATOM 679 CB SER A 96 9.629 -5.640 -2.024 1.00 22.36 C ATOM 680 OG SER A 96 8.703 -6.486 -2.762 1.00 22.93 O ATOM 681 HA SER A 96 8.616 -5.761 -0.135 1.00 0.00 H ATOM 682 HB2 SER A 96 10.458 -6.249 -1.664 1.00 0.00 H ATOM 683 HB3 SER A 96 10.011 -4.865 -2.689 1.00 0.00 H ATOM 684 HG SER A 96 9.175 -6.901 -3.527 1.00 0.00 H ATOM 685 H SER A 96 7.890 -3.310 -1.745 1.00 0.00 H ATOM 686 N LEU A 97 10.659 -4.613 0.749 1.00 21.97 N ATOM 687 CA LEU A 97 11.649 -3.890 1.563 1.00 22.38 C ATOM 688 C LEU A 97 12.999 -4.441 1.145 1.00 22.29 C ATOM 689 O LEU A 97 13.228 -5.665 1.188 1.00 23.40 O ATOM 690 CB LEU A 97 11.401 -4.161 3.072 1.00 22.38 C ATOM 691 CG LEU A 97 12.529 -3.756 4.039 1.00 23.62 C ATOM 692 CD1 LEU A 97 12.747 -2.247 4.201 1.00 22.60 C ATOM 693 CD2 LEU A 97 12.190 -4.369 5.431 1.00 22.47 C ATOM 694 HA LEU A 97 11.589 -2.812 1.413 1.00 0.00 H ATOM 695 HB2 LEU A 97 10.503 -3.615 3.363 1.00 0.00 H ATOM 696 HB3 LEU A 97 11.230 -5.231 3.193 1.00 0.00 H ATOM 697 HG LEU A 97 13.458 -4.133 3.612 1.00 0.00 H ATOM 698 HD21 LEU A 97 11.232 -3.978 5.775 1.00 0.00 H ATOM 699 HD22 LEU A 97 12.131 -5.454 5.344 1.00 0.00 H ATOM 700 HD23 LEU A 97 12.970 -4.102 6.144 1.00 0.00 H ATOM 701 HD11 LEU A 97 12.998 -1.812 3.234 1.00 0.00 H ATOM 702 HD12 LEU A 97 11.834 -1.788 4.581 1.00 0.00 H ATOM 703 HD13 LEU A 97 13.563 -2.072 4.902 1.00 0.00 H ATOM 704 H LEU A 97 10.562 -5.640 0.884 1.00 0.00 H ATOM 705 N SER A 98 13.890 -3.571 0.661 1.00 21.36 N ATOM 706 CA SER A 98 15.230 -4.021 0.241 1.00 21.32 C ATOM 707 C SER A 98 16.268 -3.393 1.193 1.00 21.64 C ATOM 708 O SER A 98 16.189 -2.203 1.471 1.00 21.22 O ATOM 709 CB SER A 98 15.506 -3.558 -1.217 1.00 21.42 C ATOM 710 OG SER A 98 14.573 -4.177 -2.081 1.00 20.78 O ATOM 711 HA SER A 98 15.292 -5.109 0.280 1.00 0.00 H ATOM 712 HB2 SER A 98 16.517 -3.843 -1.506 1.00 0.00 H ATOM 713 HB3 SER A 98 15.403 -2.475 -1.283 1.00 0.00 H ATOM 714 HG SER A 98 14.669 -5.160 -2.019 1.00 0.00 H ATOM 715 H SER A 98 13.636 -2.566 0.580 1.00 0.00 H ATOM 716 N VAL A 99 17.240 -4.204 1.629 1.00 21.60 N ATOM 717 CA VAL A 99 18.165 -3.832 2.711 1.00 23.30 C ATOM 718 C VAL A 99 19.626 -4.244 2.406 1.00 23.36 C ATOM 719 O VAL A 99 19.869 -5.383 2.013 1.00 24.83 O ATOM 720 CB VAL A 99 17.726 -4.515 4.050 1.00 23.19 C ATOM 721 CG1 VAL A 99 18.540 -3.850 5.207 1.00 24.51 C ATOM 722 CG2 VAL A 99 16.197 -4.358 4.305 1.00 25.73 C ATOM 723 HA VAL A 99 18.126 -2.746 2.799 1.00 0.00 H ATOM 724 HB VAL A 99 17.926 -5.585 3.996 1.00 0.00 H ATOM 725 HG11 VAL A 99 19.605 -4.001 5.034 1.00 0.00 H ATOM 726 HG12 VAL A 99 18.323 -2.782 5.235 1.00 0.00 H ATOM 727 HG13 VAL A 99 18.257 -4.304 6.156 1.00 0.00 H ATOM 728 HG21 VAL A 99 15.946 -3.299 4.362 1.00 0.00 H ATOM 729 HG22 VAL A 99 15.644 -4.820 3.487 1.00 0.00 H ATOM 730 HG23 VAL A 99 15.935 -4.846 5.244 1.00 0.00 H ATOM 731 H VAL A 99 17.346 -5.138 1.183 1.00 0.00 H ATOM 732 N LYS A 100 20.561 -3.332 2.589 1.00 25.06 N ATOM 733 CA LYS A 100 21.962 -3.652 2.439 1.00 25.90 C ATOM 734 C LYS A 100 22.456 -4.472 3.601 1.00 27.26 C ATOM 735 O LYS A 100 22.280 -4.111 4.711 1.00 26.95 O ATOM 736 CB LYS A 100 22.842 -2.405 2.346 1.00 26.00 C ATOM 737 CG LYS A 100 24.293 -2.722 1.986 1.00 27.12 C ATOM 738 CD LYS A 100 25.260 -1.846 2.620 1.00 26.71 C ATOM 739 CE LYS A 100 26.730 -2.200 2.323 1.00 27.53 C ATOM 740 NZ LYS A 100 26.825 -3.260 1.409 1.00 24.80 N ATOM 741 HA LYS A 100 22.037 -4.214 1.508 1.00 0.00 H ATOM 742 HB2 LYS A 100 22.431 -1.746 1.582 1.00 0.00 H ATOM 743 HB3 LYS A 100 22.826 -1.896 3.310 1.00 0.00 H ATOM 744 HG2 LYS A 100 24.506 -3.747 2.290 1.00 0.00 H ATOM 745 HG3 LYS A 100 24.406 -2.634 0.905 1.00 0.00 H ATOM 746 HD2 LYS A 100 25.077 -0.829 2.274 1.00 0.00 H ATOM 747 HD3 LYS A 100 25.109 -1.894 3.698 1.00 0.00 H ATOM 748 HE2 LYS A 100 27.221 -2.487 3.253 1.00 0.00 H ATOM 749 HE3 LYS A 100 27.229 -1.325 1.906 1.00 0.00 H ATOM 750 HZ1 LYS A 100 26.355 -4.100 1.804 1.00 0.00 H ATOM 751 HZ2 LYS A 100 26.363 -2.990 0.517 1.00 0.00 H ATOM 752 HZ3 LYS A 100 27.827 -3.473 1.231 1.00 0.00 H ATOM 753 H LYS A 100 20.284 -2.363 2.846 1.00 0.00 H ATOM 754 N PHE A 101 23.096 -5.573 3.287 1.00 27.56 N ATOM 755 CA PHE A 101 23.891 -6.298 4.272 1.00 31.05 C ATOM 756 C PHE A 101 25.207 -6.797 3.657 1.00 33.18 C ATOM 757 O PHE A 101 25.187 -7.674 2.780 1.00 32.76 O ATOM 758 CB PHE A 101 23.151 -7.486 4.829 1.00 32.19 C ATOM 759 CG PHE A 101 23.958 -8.198 5.894 1.00 35.00 C ATOM 760 CD1 PHE A 101 24.452 -9.484 5.660 1.00 37.73 C ATOM 761 CD2 PHE A 101 24.313 -7.518 7.066 1.00 37.85 C ATOM 762 CE1 PHE A 101 25.248 -10.144 6.630 1.00 39.54 C ATOM 763 CE2 PHE A 101 25.107 -8.152 8.052 1.00 39.93 C ATOM 764 CZ PHE A 101 25.555 -9.464 7.849 1.00 36.89 C ATOM 765 HA PHE A 101 24.096 -5.594 5.078 1.00 0.00 H ATOM 766 HB2 PHE A 101 22.212 -7.145 5.265 1.00 0.00 H ATOM 767 HB3 PHE A 101 22.941 -8.184 4.018 1.00 0.00 H ATOM 768 HD2 PHE A 101 23.975 -6.493 7.220 1.00 0.00 H ATOM 769 HE2 PHE A 101 25.369 -7.621 8.967 1.00 0.00 H ATOM 770 HZ PHE A 101 26.138 -9.966 8.621 1.00 0.00 H ATOM 771 HE1 PHE A 101 25.619 -11.153 6.449 1.00 0.00 H ATOM 772 HD1 PHE A 101 24.223 -9.986 4.720 1.00 0.00 H ATOM 773 H PHE A 101 23.035 -5.937 2.315 1.00 0.00 H ATOM 774 N GLY A 102 26.350 -6.308 4.136 1.00 36.25 N ATOM 775 CA GLY A 102 27.647 -6.741 3.579 1.00 35.71 C ATOM 776 C GLY A 102 27.691 -6.550 2.063 1.00 37.73 C ATOM 777 O GLY A 102 27.337 -5.483 1.520 1.00 36.73 O ATOM 778 HA3 GLY A 102 27.798 -7.796 3.809 1.00 0.00 H ATOM 779 HA2 GLY A 102 28.444 -6.153 4.035 1.00 0.00 H ATOM 780 H GLY A 102 26.328 -5.614 4.910 1.00 0.00 H ATOM 781 N ASN A 103 28.058 -7.584 1.329 1.00 36.93 N ATOM 782 CA ASN A 103 28.071 -7.403 -0.125 1.00 38.20 C ATOM 783 C ASN A 103 26.756 -7.820 -0.799 1.00 36.51 C ATOM 784 O ASN A 103 26.632 -7.887 -2.063 1.00 37.75 O ATOM 785 CB ASN A 103 29.321 -8.062 -0.725 1.00 39.66 C ATOM 786 CG ASN A 103 30.625 -7.444 -0.170 1.00 45.00 C ATOM 787 OD1 ASN A 103 30.751 -6.197 -0.025 1.00 48.87 O ATOM 788 ND2 ASN A 103 31.572 -8.305 0.177 1.00 49.20 N ATOM 789 HA ASN A 103 28.137 -6.336 -0.335 1.00 0.00 H ATOM 790 HB2 ASN A 103 29.307 -9.126 -0.488 1.00 0.00 H ATOM 791 HB3 ASN A 103 29.303 -7.932 -1.807 1.00 0.00 H ATOM 792 HD22 ASN A 103 31.423 -9.325 0.039 1.00 0.00 H ATOM 793 HD21 ASN A 103 32.463 -7.960 0.587 1.00 0.00 H ATOM 794 H ASN A 103 28.327 -8.489 1.765 1.00 0.00 H ATOM 795 N ASP A 104 25.754 -8.031 0.018 1.00 35.29 N ATOM 796 CA ASP A 104 24.498 -8.514 -0.458 1.00 33.77 C ATOM 797 C ASP A 104 23.398 -7.467 -0.284 1.00 31.75 C ATOM 798 O ASP A 104 23.582 -6.534 0.442 1.00 31.27 O ATOM 799 CB ASP A 104 24.184 -9.752 0.343 1.00 35.00 C ATOM 800 CG ASP A 104 23.197 -10.605 -0.301 1.00 37.42 C ATOM 801 OD1 ASP A 104 23.200 -10.670 -1.536 1.00 41.02 O ATOM 802 OD2 ASP A 104 22.402 -11.241 0.419 1.00 41.54 O ATOM 803 HA ASP A 104 24.550 -8.734 -1.524 1.00 0.00 H ATOM 804 HB2 ASP A 104 25.103 -10.322 0.478 1.00 0.00 H ATOM 805 HB3 ASP A 104 23.800 -9.449 1.317 1.00 0.00 H ATOM 806 H ASP A 104 25.876 -7.843 1.034 1.00 0.00 H ATOM 807 N VAL A 105 22.268 -7.654 -0.947 1.00 29.36 N ATOM 808 CA VAL A 105 21.064 -6.834 -0.683 1.00 27.24 C ATOM 809 C VAL A 105 19.995 -7.863 -0.433 1.00 26.30 C ATOM 810 O VAL A 105 19.790 -8.787 -1.266 1.00 28.43 O ATOM 811 CB VAL A 105 20.714 -5.833 -1.847 1.00 24.81 C ATOM 812 CG1 VAL A 105 19.372 -5.216 -1.627 1.00 25.39 C ATOM 813 CG2 VAL A 105 21.740 -4.753 -1.895 1.00 27.76 C ATOM 814 HA VAL A 105 21.198 -6.158 0.161 1.00 0.00 H ATOM 815 HB VAL A 105 20.701 -6.385 -2.787 1.00 0.00 H ATOM 816 HG11 VAL A 105 18.614 -5.999 -1.595 1.00 0.00 H ATOM 817 HG12 VAL A 105 19.374 -4.672 -0.682 1.00 0.00 H ATOM 818 HG13 VAL A 105 19.151 -4.528 -2.443 1.00 0.00 H ATOM 819 HG21 VAL A 105 21.748 -4.219 -0.945 1.00 0.00 H ATOM 820 HG22 VAL A 105 22.721 -5.193 -2.075 1.00 0.00 H ATOM 821 HG23 VAL A 105 21.498 -4.060 -2.701 1.00 0.00 H ATOM 822 H VAL A 105 22.225 -8.397 -1.673 1.00 0.00 H ATOM 823 N GLN A 106 19.340 -7.778 0.713 1.00 24.44 N ATOM 824 CA GLN A 106 18.305 -8.724 1.022 1.00 25.67 C ATOM 825 C GLN A 106 16.941 -8.094 0.743 1.00 24.08 C ATOM 826 O GLN A 106 16.739 -6.882 0.943 1.00 24.33 O ATOM 827 CB GLN A 106 18.371 -9.020 2.536 1.00 25.53 C ATOM 828 CG GLN A 106 19.625 -9.822 2.894 1.00 29.28 C ATOM 829 CD GLN A 106 19.768 -10.187 4.352 1.00 36.26 C ATOM 830 OE1 GLN A 106 20.853 -10.619 4.787 1.00 43.34 O ATOM 831 NE2 GLN A 106 18.703 -10.087 5.099 1.00 31.67 N ATOM 832 HA GLN A 106 18.437 -9.626 0.424 1.00 0.00 H ATOM 833 HB2 GLN A 106 18.385 -8.077 3.082 1.00 0.00 H ATOM 834 HB3 GLN A 106 17.489 -9.592 2.825 1.00 0.00 H ATOM 835 HG2 GLN A 106 19.610 -10.746 2.316 1.00 0.00 H ATOM 836 HG3 GLN A 106 20.495 -9.231 2.608 1.00 0.00 H ATOM 837 HE22 GLN A 106 17.817 -9.721 4.695 1.00 0.00 H ATOM 838 HE21 GLN A 106 18.740 -10.373 6.098 1.00 0.00 H ATOM 839 H GLN A 106 19.575 -7.025 1.391 1.00 0.00 H ATOM 840 N HIS A 107 15.987 -8.914 0.338 1.00 24.44 N ATOM 841 CA HIS A 107 14.629 -8.420 0.037 1.00 22.78 C ATOM 842 C HIS A 107 13.623 -9.128 0.904 1.00 22.96 C ATOM 843 O HIS A 107 13.722 -10.323 1.112 1.00 23.36 O ATOM 844 CB HIS A 107 14.249 -8.681 -1.468 1.00 24.41 C ATOM 845 CG HIS A 107 15.248 -8.113 -2.420 1.00 25.30 C ATOM 846 ND1 HIS A 107 15.206 -6.798 -2.828 1.00 26.89 N ATOM 847 CD2 HIS A 107 16.349 -8.648 -2.980 1.00 24.16 C ATOM 848 CE1 HIS A 107 16.208 -6.574 -3.657 1.00 22.52 C ATOM 849 NE2 HIS A 107 16.942 -7.663 -3.717 1.00 26.30 N ATOM 850 HA HIS A 107 14.618 -7.348 0.232 1.00 0.00 H ATOM 851 HB2 HIS A 107 14.184 -9.757 -1.630 1.00 0.00 H ATOM 852 HB3 HIS A 107 13.279 -8.226 -1.667 1.00 0.00 H ATOM 853 HD2 HIS A 107 16.701 -9.673 -2.867 1.00 0.00 H ATOM 854 HE1 HIS A 107 16.395 -5.647 -4.198 1.00 0.00 H ATOM 855 H HIS A 107 16.197 -9.927 0.229 1.00 0.00 H ATOM 856 N PHE A 108 12.631 -8.405 1.392 1.00 23.86 N ATOM 857 CA PHE A 108 11.595 -8.945 2.286 1.00 22.71 C ATOM 858 C PHE A 108 10.259 -8.565 1.673 1.00 22.65 C ATOM 859 O PHE A 108 10.064 -7.409 1.241 1.00 23.49 O ATOM 860 CB PHE A 108 11.657 -8.308 3.695 1.00 24.67 C ATOM 861 CG PHE A 108 12.963 -8.553 4.387 1.00 23.14 C ATOM 862 CD1 PHE A 108 14.107 -7.794 4.039 1.00 25.78 C ATOM 863 CD2 PHE A 108 13.080 -9.547 5.345 1.00 25.85 C ATOM 864 CE1 PHE A 108 15.372 -8.065 4.649 1.00 26.69 C ATOM 865 CE2 PHE A 108 14.319 -9.840 5.900 1.00 24.91 C ATOM 866 CZ PHE A 108 15.420 -9.119 5.576 1.00 25.26 C ATOM 867 HA PHE A 108 11.737 -10.021 2.392 1.00 0.00 H ATOM 868 HB2 PHE A 108 11.511 -7.232 3.598 1.00 0.00 H ATOM 869 HB3 PHE A 108 10.856 -8.729 4.303 1.00 0.00 H ATOM 870 HD2 PHE A 108 12.197 -10.101 5.664 1.00 0.00 H ATOM 871 HE2 PHE A 108 14.407 -10.664 6.608 1.00 0.00 H ATOM 872 HZ PHE A 108 16.371 -9.364 6.049 1.00 0.00 H ATOM 873 HE1 PHE A 108 16.259 -7.480 4.405 1.00 0.00 H ATOM 874 HD1 PHE A 108 14.023 -6.997 3.300 1.00 0.00 H ATOM 875 H PHE A 108 12.580 -7.400 1.130 1.00 0.00 H ATOM 876 N LYS A 109 9.342 -9.530 1.566 1.00 22.45 N ATOM 877 CA LYS A 109 7.939 -9.174 1.220 1.00 22.30 C ATOM 878 C LYS A 109 7.277 -8.377 2.350 1.00 24.07 C ATOM 879 O LYS A 109 7.403 -8.788 3.536 1.00 23.58 O ATOM 880 CB LYS A 109 7.090 -10.433 1.038 1.00 22.80 C ATOM 881 CG LYS A 109 7.678 -11.362 0.077 1.00 25.38 C ATOM 882 CD LYS A 109 6.691 -12.510 -0.173 1.00 25.40 C ATOM 883 CE LYS A 109 6.896 -13.587 0.899 1.00 30.13 C ATOM 884 NZ LYS A 109 6.133 -14.877 0.576 1.00 29.82 N ATOM 885 HA LYS A 109 7.987 -8.588 0.302 1.00 0.00 H ATOM 886 HB2 LYS A 109 6.997 -10.936 2.001 1.00 0.00 H ATOM 887 HB3 LYS A 109 6.101 -10.141 0.685 1.00 0.00 H ATOM 888 HG2 LYS A 109 7.879 -10.842 -0.859 1.00 0.00 H ATOM 889 HG3 LYS A 109 8.610 -11.761 0.477 1.00 0.00 H ATOM 890 HD2 LYS A 109 5.670 -12.132 -0.121 1.00 0.00 H ATOM 891 HD3 LYS A 109 6.869 -12.937 -1.160 1.00 0.00 H ATOM 892 HE2 LYS A 109 6.545 -13.201 1.856 1.00 0.00 H ATOM 893 HE3 LYS A 109 7.959 -13.816 0.969 1.00 0.00 H ATOM 894 HZ1 LYS A 109 5.116 -14.670 0.515 1.00 0.00 H ATOM 895 HZ2 LYS A 109 6.466 -15.257 -0.333 1.00 0.00 H ATOM 896 HZ3 LYS A 109 6.301 -15.575 1.328 1.00 0.00 H ATOM 897 H LYS A 109 9.607 -10.523 1.723 1.00 0.00 H ATOM 898 N VAL A 110 6.574 -7.303 2.023 1.00 22.45 N ATOM 899 CA VAL A 110 5.708 -6.684 3.029 1.00 23.76 C ATOM 900 C VAL A 110 4.386 -7.421 2.926 1.00 24.20 C ATOM 901 O VAL A 110 3.638 -7.306 1.938 1.00 25.09 O ATOM 902 CB VAL A 110 5.571 -5.130 2.862 1.00 23.45 C ATOM 903 CG1 VAL A 110 4.615 -4.515 3.916 1.00 22.18 C ATOM 904 CG2 VAL A 110 6.941 -4.499 2.950 1.00 24.30 C ATOM 905 HA VAL A 110 6.134 -6.779 4.028 1.00 0.00 H ATOM 906 HB VAL A 110 5.134 -4.926 1.884 1.00 0.00 H ATOM 907 HG11 VAL A 110 3.625 -4.958 3.809 1.00 0.00 H ATOM 908 HG12 VAL A 110 4.999 -4.718 4.916 1.00 0.00 H ATOM 909 HG13 VAL A 110 4.551 -3.438 3.762 1.00 0.00 H ATOM 910 HG21 VAL A 110 7.383 -4.726 3.920 1.00 0.00 H ATOM 911 HG22 VAL A 110 7.575 -4.898 2.158 1.00 0.00 H ATOM 912 HG23 VAL A 110 6.850 -3.419 2.834 1.00 0.00 H ATOM 913 H VAL A 110 6.636 -6.904 1.064 1.00 0.00 H ATOM 914 N LEU A 111 4.110 -8.188 3.960 1.00 24.08 N ATOM 915 CA LEU A 111 2.911 -8.993 4.026 1.00 25.63 C ATOM 916 C LEU A 111 1.730 -8.254 4.651 1.00 25.79 C ATOM 917 O LEU A 111 1.905 -7.317 5.411 1.00 25.39 O ATOM 918 CB LEU A 111 3.210 -10.302 4.788 1.00 25.16 C ATOM 919 CG LEU A 111 4.384 -11.082 4.250 1.00 26.44 C ATOM 920 CD1 LEU A 111 4.687 -12.193 5.199 1.00 28.74 C ATOM 921 CD2 LEU A 111 4.105 -11.669 2.842 1.00 26.50 C ATOM 922 HA LEU A 111 2.613 -9.223 3.003 1.00 0.00 H ATOM 923 HB2 LEU A 111 3.415 -10.052 5.829 1.00 0.00 H ATOM 924 HB3 LEU A 111 2.326 -10.937 4.736 1.00 0.00 H ATOM 925 HG LEU A 111 5.231 -10.402 4.155 1.00 0.00 H ATOM 926 HD21 LEU A 111 3.248 -12.340 2.893 1.00 0.00 H ATOM 927 HD22 LEU A 111 3.891 -10.857 2.147 1.00 0.00 H ATOM 928 HD23 LEU A 111 4.980 -12.221 2.500 1.00 0.00 H ATOM 929 HD11 LEU A 111 4.931 -11.778 6.177 1.00 0.00 H ATOM 930 HD12 LEU A 111 3.816 -12.842 5.286 1.00 0.00 H ATOM 931 HD13 LEU A 111 5.534 -12.768 4.825 1.00 0.00 H ATOM 932 H LEU A 111 4.778 -8.216 4.757 1.00 0.00 H ATOM 933 N ARG A 112 0.518 -8.706 4.319 1.00 26.08 N ATOM 934 CA ARG A 112 -0.711 -8.078 4.821 1.00 26.52 C ATOM 935 C ARG A 112 -1.586 -9.107 5.504 1.00 27.55 C ATOM 936 O ARG A 112 -1.746 -10.237 5.003 1.00 29.35 O ATOM 937 CB ARG A 112 -1.576 -7.534 3.667 1.00 28.40 C ATOM 938 CG ARG A 112 -0.866 -6.599 2.743 1.00 28.56 C ATOM 939 CD ARG A 112 -0.253 -5.481 3.457 1.00 30.27 C ATOM 940 NE ARG A 112 -1.241 -4.450 3.805 1.00 32.58 N ATOM 941 CZ ARG A 112 -1.788 -3.582 2.931 1.00 37.61 C ATOM 942 NH1 ARG A 112 -1.485 -3.640 1.628 1.00 37.91 N ATOM 943 NH2 ARG A 112 -2.666 -2.669 3.365 1.00 32.19 N ATOM 944 HA ARG A 112 -0.392 -7.283 5.495 1.00 0.00 H ATOM 945 HB2 ARG A 112 -1.936 -8.381 3.083 1.00 0.00 H ATOM 946 HB3 ARG A 112 -2.426 -7.005 4.099 1.00 0.00 H ATOM 947 HG2 ARG A 112 -0.087 -7.149 2.216 1.00 0.00 H ATOM 948 HG3 ARG A 112 -1.582 -6.206 2.022 1.00 0.00 H ATOM 949 HD2 ARG A 112 0.515 -5.036 2.824 1.00 0.00 H ATOM 950 HD3 ARG A 112 0.205 -5.855 4.373 1.00 0.00 H ATOM 951 HE ARG A 112 -1.540 -4.385 4.799 1.00 0.00 H ATOM 952 HH12 ARG A 112 -1.914 -2.964 0.964 1.00 0.00 H ATOM 953 HH11 ARG A 112 -0.821 -4.361 1.280 1.00 0.00 H ATOM 954 HH22 ARG A 112 -3.091 -1.997 2.695 1.00 0.00 H ATOM 955 HH21 ARG A 112 -2.923 -2.632 4.372 1.00 0.00 H ATOM 956 H ARG A 112 0.442 -9.528 3.686 1.00 0.00 H ATOM 957 N ASP A 113 -2.237 -8.687 6.583 1.00 26.13 N ATOM 958 CA ASP A 113 -3.217 -9.578 7.174 1.00 28.04 C ATOM 959 C ASP A 113 -4.578 -9.335 6.505 1.00 30.44 C ATOM 960 O ASP A 113 -4.698 -8.628 5.458 1.00 31.52 O ATOM 961 CB ASP A 113 -3.234 -9.393 8.723 1.00 27.15 C ATOM 962 CG ASP A 113 -3.917 -8.111 9.169 1.00 27.80 C ATOM 963 OD1 ASP A 113 -4.350 -7.266 8.323 1.00 28.72 O ATOM 964 OD2 ASP A 113 -4.105 -7.908 10.414 1.00 29.51 O ATOM 965 HA ASP A 113 -2.958 -10.622 6.998 1.00 0.00 H ATOM 966 HB2 ASP A 113 -3.761 -10.238 9.167 1.00 0.00 H ATOM 967 HB3 ASP A 113 -2.205 -9.379 9.081 1.00 0.00 H ATOM 968 H ASP A 113 -2.050 -7.749 6.991 1.00 0.00 H ATOM 969 N GLY A 114 -5.644 -9.909 7.082 1.00 32.70 N ATOM 970 CA GLY A 114 -6.993 -9.690 6.500 1.00 34.95 C ATOM 971 C GLY A 114 -7.548 -8.268 6.542 1.00 35.46 C ATOM 972 O GLY A 114 -8.412 -7.883 5.724 1.00 37.04 O ATOM 973 HA3 GLY A 114 -7.691 -10.331 7.039 1.00 0.00 H ATOM 974 HA2 GLY A 114 -6.953 -9.996 5.455 1.00 0.00 H ATOM 975 H GLY A 114 -5.527 -10.502 7.929 1.00 0.00 H ATOM 976 N ALA A 115 -7.057 -7.483 7.495 1.00 35.36 N ATOM 977 CA ALA A 115 -7.561 -6.183 7.829 1.00 35.75 C ATOM 978 C ALA A 115 -6.715 -5.096 7.162 1.00 36.36 C ATOM 979 O ALA A 115 -6.994 -3.897 7.355 1.00 39.72 O ATOM 980 CB ALA A 115 -7.542 -6.010 9.334 1.00 35.61 C ATOM 981 HA ALA A 115 -8.585 -6.091 7.467 1.00 0.00 H ATOM 982 HB1 ALA A 115 -8.168 -6.774 9.794 1.00 0.00 H ATOM 983 HB2 ALA A 115 -6.519 -6.110 9.697 1.00 0.00 H ATOM 984 HB3 ALA A 115 -7.925 -5.022 9.590 1.00 0.00 H ATOM 985 H ALA A 115 -6.246 -7.838 8.040 1.00 0.00 H ATOM 986 N GLY A 116 -5.690 -5.512 6.393 1.00 34.74 N ATOM 987 CA GLY A 116 -4.727 -4.598 5.720 1.00 33.60 C ATOM 988 C GLY A 116 -3.597 -4.047 6.591 1.00 32.90 C ATOM 989 O GLY A 116 -3.061 -2.988 6.301 1.00 34.15 O ATOM 990 HA3 GLY A 116 -5.290 -3.750 5.330 1.00 0.00 H ATOM 991 HA2 GLY A 116 -4.274 -5.143 4.892 1.00 0.00 H ATOM 992 H GLY A 116 -5.564 -6.536 6.261 1.00 0.00 H ATOM 993 N LYS A 117 -3.268 -4.721 7.693 1.00 30.90 N ATOM 994 CA LYS A 117 -2.073 -4.382 8.459 1.00 27.17 C ATOM 995 C LYS A 117 -0.909 -4.944 7.712 1.00 26.73 C ATOM 996 O LYS A 117 -1.040 -5.889 6.926 1.00 27.84 O ATOM 997 CB LYS A 117 -2.162 -4.956 9.898 1.00 29.81 C ATOM 998 CG LYS A 117 -3.338 -4.224 10.609 1.00 32.16 C ATOM 999 CD LYS A 117 -3.346 -4.320 12.089 1.00 39.02 C ATOM 1000 CE LYS A 117 -4.602 -3.622 12.571 1.00 40.75 C ATOM 1001 NZ LYS A 117 -4.301 -2.950 13.886 1.00 47.88 N ATOM 1002 HA LYS A 117 -1.967 -3.303 8.567 1.00 0.00 H ATOM 1003 HB2 LYS A 117 -2.355 -6.028 9.862 1.00 0.00 H ATOM 1004 HB3 LYS A 117 -1.230 -4.774 10.432 1.00 0.00 H ATOM 1005 HG2 LYS A 117 -3.289 -3.169 10.341 1.00 0.00 H ATOM 1006 HG3 LYS A 117 -4.271 -4.649 10.239 1.00 0.00 H ATOM 1007 HD2 LYS A 117 -3.357 -5.366 12.397 1.00 0.00 H ATOM 1008 HD3 LYS A 117 -2.464 -3.830 12.501 1.00 0.00 H ATOM 1009 HE2 LYS A 117 -5.400 -4.352 12.705 1.00 0.00 H ATOM 1010 HE3 LYS A 117 -4.912 -2.876 11.839 1.00 0.00 H ATOM 1011 HZ1 LYS A 117 -4.004 -3.666 14.580 1.00 0.00 H ATOM 1012 HZ2 LYS A 117 -3.538 -2.256 13.753 1.00 0.00 H ATOM 1013 HZ3 LYS A 117 -5.155 -2.466 14.230 1.00 0.00 H ATOM 1014 H LYS A 117 -3.874 -5.503 8.013 1.00 0.00 H ATOM 1015 N TYR A 118 0.274 -4.382 7.956 1.00 25.37 N ATOM 1016 CA TYR A 118 1.501 -4.782 7.298 1.00 24.49 C ATOM 1017 C TYR A 118 2.446 -5.471 8.261 1.00 24.85 C ATOM 1018 O TYR A 118 2.533 -5.037 9.443 1.00 25.34 O ATOM 1019 CB TYR A 118 2.232 -3.522 6.928 1.00 25.23 C ATOM 1020 CG TYR A 118 1.453 -2.647 5.943 1.00 23.92 C ATOM 1021 CD1 TYR A 118 0.763 -1.530 6.392 1.00 24.09 C ATOM 1022 CD2 TYR A 118 1.562 -2.891 4.547 1.00 24.29 C ATOM 1023 CE1 TYR A 118 0.113 -0.677 5.512 1.00 24.65 C ATOM 1024 CE2 TYR A 118 0.902 -2.034 3.640 1.00 26.41 C ATOM 1025 CZ TYR A 118 0.210 -0.957 4.120 1.00 23.68 C ATOM 1026 OH TYR A 118 -0.505 -0.121 3.234 1.00 26.00 O ATOM 1027 HA TYR A 118 1.241 -5.434 6.464 1.00 0.00 H ATOM 1028 HB3 TYR A 118 3.185 -3.793 6.474 1.00 0.00 H ATOM 1029 HB2 TYR A 118 2.414 -2.946 7.836 1.00 0.00 H ATOM 1030 HD2 TYR A 118 2.150 -3.732 4.180 1.00 0.00 H ATOM 1031 HE2 TYR A 118 0.944 -2.229 2.568 1.00 0.00 H ATOM 1032 HE1 TYR A 118 -0.454 0.180 5.875 1.00 0.00 H ATOM 1033 HD1 TYR A 118 0.731 -1.318 7.461 1.00 0.00 H ATOM 1034 HH TYR A 118 -0.943 0.603 3.747 1.00 0.00 H ATOM 1035 H TYR A 118 0.319 -3.615 8.657 1.00 0.00 H ATOM 1036 N PHE A 119 3.183 -6.456 7.748 1.00 22.97 N ATOM 1037 CA PHE A 119 4.196 -7.158 8.576 1.00 23.71 C ATOM 1038 C PHE A 119 5.292 -7.835 7.785 1.00 23.25 C ATOM 1039 O PHE A 119 5.124 -8.113 6.559 1.00 22.95 O ATOM 1040 CB PHE A 119 3.509 -8.171 9.555 1.00 24.12 C ATOM 1041 CG PHE A 119 2.845 -9.367 8.906 1.00 24.51 C ATOM 1042 CD1 PHE A 119 3.505 -10.617 8.876 1.00 23.62 C ATOM 1043 CD2 PHE A 119 1.542 -9.278 8.401 1.00 25.35 C ATOM 1044 CE1 PHE A 119 2.899 -11.744 8.256 1.00 21.95 C ATOM 1045 CE2 PHE A 119 0.921 -10.397 7.824 1.00 25.59 C ATOM 1046 CZ PHE A 119 1.613 -11.620 7.771 1.00 25.89 C ATOM 1047 HA PHE A 119 4.694 -6.376 9.150 1.00 0.00 H ATOM 1048 HB2 PHE A 119 4.270 -8.542 10.241 1.00 0.00 H ATOM 1049 HB3 PHE A 119 2.748 -7.630 10.117 1.00 0.00 H ATOM 1050 HD2 PHE A 119 1.005 -8.331 8.456 1.00 0.00 H ATOM 1051 HE2 PHE A 119 -0.089 -10.319 7.421 1.00 0.00 H ATOM 1052 HZ PHE A 119 1.122 -12.491 7.337 1.00 0.00 H ATOM 1053 HE1 PHE A 119 3.439 -12.686 8.166 1.00 0.00 H ATOM 1054 HD1 PHE A 119 4.489 -10.718 9.333 1.00 0.00 H ATOM 1055 H PHE A 119 3.047 -6.736 6.756 1.00 0.00 H ATOM 1056 N LEU A 120 6.425 -8.106 8.460 1.00 22.76 N ATOM 1057 CA LEU A 120 7.462 -8.929 7.805 1.00 22.73 C ATOM 1058 C LEU A 120 7.423 -10.351 8.324 1.00 23.81 C ATOM 1059 O LEU A 120 7.523 -11.301 7.532 1.00 24.13 O ATOM 1060 CB LEU A 120 8.845 -8.320 8.032 1.00 23.28 C ATOM 1061 CG LEU A 120 9.130 -6.864 7.611 1.00 21.37 C ATOM 1062 CD1 LEU A 120 10.577 -6.542 7.827 1.00 22.53 C ATOM 1063 CD2 LEU A 120 8.729 -6.650 6.084 1.00 26.45 C ATOM 1064 HA LEU A 120 7.259 -8.948 6.734 1.00 0.00 H ATOM 1065 HB2 LEU A 120 9.044 -8.382 9.102 1.00 0.00 H ATOM 1066 HB3 LEU A 120 9.556 -8.947 7.495 1.00 0.00 H ATOM 1067 HG LEU A 120 8.531 -6.191 8.224 1.00 0.00 H ATOM 1068 HD21 LEU A 120 9.312 -7.326 5.458 1.00 0.00 H ATOM 1069 HD22 LEU A 120 7.667 -6.860 5.956 1.00 0.00 H ATOM 1070 HD23 LEU A 120 8.934 -5.619 5.797 1.00 0.00 H ATOM 1071 HD11 LEU A 120 10.822 -6.665 8.882 1.00 0.00 H ATOM 1072 HD12 LEU A 120 11.191 -7.216 7.229 1.00 0.00 H ATOM 1073 HD13 LEU A 120 10.767 -5.512 7.527 1.00 0.00 H ATOM 1074 H LEU A 120 6.567 -7.743 9.424 1.00 0.00 H ATOM 1075 N TRP A 121 7.283 -10.499 9.666 1.00 24.77 N ATOM 1076 CA TRP A 121 7.368 -11.821 10.279 1.00 24.96 C ATOM 1077 C TRP A 121 6.138 -12.071 11.161 1.00 26.57 C ATOM 1078 O TRP A 121 5.314 -12.867 10.788 1.00 26.34 O ATOM 1079 CB TRP A 121 8.632 -11.939 11.097 1.00 25.86 C ATOM 1080 CG TRP A 121 9.916 -11.826 10.278 1.00 25.04 C ATOM 1081 CD1 TRP A 121 10.712 -10.729 10.188 1.00 26.23 C ATOM 1082 CD2 TRP A 121 10.499 -12.826 9.427 1.00 25.39 C ATOM 1083 NE1 TRP A 121 11.810 -10.996 9.400 1.00 26.56 N ATOM 1084 CE2 TRP A 121 11.700 -12.261 8.895 1.00 26.15 C ATOM 1085 CE3 TRP A 121 10.164 -14.132 9.094 1.00 27.72 C ATOM 1086 CZ2 TRP A 121 12.540 -12.954 8.050 1.00 26.50 C ATOM 1087 CZ3 TRP A 121 11.038 -14.847 8.214 1.00 29.25 C ATOM 1088 CH2 TRP A 121 12.208 -14.234 7.726 1.00 29.29 C ATOM 1089 HA TRP A 121 7.394 -12.573 9.491 1.00 0.00 H ATOM 1090 HB2 TRP A 121 8.632 -11.146 11.845 1.00 0.00 H ATOM 1091 HB3 TRP A 121 8.628 -12.908 11.596 1.00 0.00 H ATOM 1092 HE1 TRP A 121 12.596 -10.340 9.219 1.00 0.00 H ATOM 1093 HD1 TRP A 121 10.511 -9.773 10.671 1.00 0.00 H ATOM 1094 HZ2 TRP A 121 13.443 -12.491 7.653 1.00 0.00 H ATOM 1095 HH2 TRP A 121 12.868 -14.801 7.069 1.00 0.00 H ATOM 1096 HZ3 TRP A 121 10.797 -15.869 7.921 1.00 0.00 H ATOM 1097 HE3 TRP A 121 9.262 -14.599 9.491 1.00 0.00 H ATOM 1098 H TRP A 121 7.114 -9.664 10.262 1.00 0.00 H ATOM 1099 N VAL A 122 6.078 -11.403 12.311 1.00 26.21 N ATOM 1100 CA VAL A 122 4.983 -11.650 13.324 1.00 27.96 C ATOM 1101 C VAL A 122 4.287 -10.347 13.790 1.00 26.91 C ATOM 1102 O VAL A 122 3.018 -10.277 13.811 1.00 27.17 O ATOM 1103 CB VAL A 122 5.530 -12.522 14.573 1.00 28.31 C ATOM 1104 CG1 VAL A 122 4.443 -12.667 15.651 1.00 29.07 C ATOM 1105 CG2 VAL A 122 6.011 -13.896 14.126 1.00 31.96 C ATOM 1106 HA VAL A 122 4.214 -12.234 12.819 1.00 0.00 H ATOM 1107 HB VAL A 122 6.380 -11.988 14.998 1.00 0.00 H ATOM 1108 HG11 VAL A 122 4.155 -11.679 16.009 1.00 0.00 H ATOM 1109 HG12 VAL A 122 3.574 -13.168 15.224 1.00 0.00 H ATOM 1110 HG13 VAL A 122 4.833 -13.257 16.481 1.00 0.00 H ATOM 1111 HG21 VAL A 122 5.185 -14.436 13.663 1.00 0.00 H ATOM 1112 HG22 VAL A 122 6.820 -13.779 13.405 1.00 0.00 H ATOM 1113 HG23 VAL A 122 6.371 -14.453 14.991 1.00 0.00 H ATOM 1114 H VAL A 122 6.806 -10.690 12.519 1.00 0.00 H ATOM 1115 N VAL A 123 5.053 -9.330 14.219 1.00 26.79 N ATOM 1116 CA VAL A 123 4.477 -8.056 14.701 1.00 26.24 C ATOM 1117 C VAL A 123 3.929 -7.295 13.508 1.00 26.96 C ATOM 1118 O VAL A 123 4.601 -7.217 12.513 1.00 28.14 O ATOM 1119 CB VAL A 123 5.535 -7.253 15.482 1.00 26.83 C ATOM 1120 CG1 VAL A 123 4.950 -5.944 16.013 1.00 26.71 C ATOM 1121 CG2 VAL A 123 5.983 -8.121 16.670 1.00 29.01 C ATOM 1122 HA VAL A 123 3.657 -8.241 15.395 1.00 0.00 H ATOM 1123 HB VAL A 123 6.369 -7.007 14.825 1.00 0.00 H ATOM 1124 HG11 VAL A 123 4.599 -5.339 15.177 1.00 0.00 H ATOM 1125 HG12 VAL A 123 4.116 -6.164 16.679 1.00 0.00 H ATOM 1126 HG13 VAL A 123 5.720 -5.399 16.560 1.00 0.00 H ATOM 1127 HG21 VAL A 123 5.123 -8.339 17.303 1.00 0.00 H ATOM 1128 HG22 VAL A 123 6.408 -9.053 16.297 1.00 0.00 H ATOM 1129 HG23 VAL A 123 6.735 -7.583 17.248 1.00 0.00 H ATOM 1130 H VAL A 123 6.087 -9.443 14.212 1.00 0.00 H ATOM 1131 N LYS A 124 2.713 -6.781 13.605 1.00 25.97 N ATOM 1132 CA LYS A 124 2.095 -6.076 12.436 1.00 25.92 C ATOM 1133 C LYS A 124 1.701 -4.660 12.768 1.00 26.85 C ATOM 1134 O LYS A 124 1.531 -4.275 13.958 1.00 26.75 O ATOM 1135 CB LYS A 124 0.958 -6.910 11.852 1.00 24.91 C ATOM 1136 CG LYS A 124 -0.260 -6.972 12.689 1.00 24.82 C ATOM 1137 CD LYS A 124 -1.207 -8.074 12.195 1.00 23.64 C ATOM 1138 CE LYS A 124 -2.401 -8.238 13.151 1.00 23.60 C ATOM 1139 NZ LYS A 124 -3.372 -9.272 12.657 1.00 23.29 N ATOM 1140 HA LYS A 124 2.847 -5.978 11.653 1.00 0.00 H ATOM 1141 HB2 LYS A 124 0.685 -6.483 10.887 1.00 0.00 H ATOM 1142 HB3 LYS A 124 1.323 -7.927 11.708 1.00 0.00 H ATOM 1143 HG2 LYS A 124 0.025 -7.181 13.720 1.00 0.00 H ATOM 1144 HG3 LYS A 124 -0.774 -6.012 12.643 1.00 0.00 H ATOM 1145 HD2 LYS A 124 -1.576 -7.810 11.204 1.00 0.00 H ATOM 1146 HD3 LYS A 124 -0.661 -9.016 12.140 1.00 0.00 H ATOM 1147 HE2 LYS A 124 -2.917 -7.282 13.239 1.00 0.00 H ATOM 1148 HE3 LYS A 124 -2.030 -8.541 14.130 1.00 0.00 H ATOM 1149 HZ1 LYS A 124 -3.735 -8.987 11.725 1.00 0.00 H ATOM 1150 HZ2 LYS A 124 -2.889 -10.189 12.576 1.00 0.00 H ATOM 1151 HZ3 LYS A 124 -4.162 -9.353 13.329 1.00 0.00 H ATOM 1152 H LYS A 124 2.184 -6.867 14.496 1.00 0.00 H ATOM 1153 N PHE A 125 1.470 -3.852 11.733 1.00 26.07 N ATOM 1154 CA PHE A 125 1.475 -2.402 11.934 1.00 26.13 C ATOM 1155 C PHE A 125 0.374 -1.785 11.077 1.00 25.33 C ATOM 1156 O PHE A 125 0.073 -2.327 10.029 1.00 25.52 O ATOM 1157 CB PHE A 125 2.874 -1.796 11.473 1.00 27.50 C ATOM 1158 CG PHE A 125 4.081 -2.534 12.109 1.00 27.15 C ATOM 1159 CD1 PHE A 125 4.502 -2.173 13.341 1.00 30.95 C ATOM 1160 CD2 PHE A 125 4.613 -3.653 11.513 1.00 30.12 C ATOM 1161 CE1 PHE A 125 5.531 -2.869 13.978 1.00 29.55 C ATOM 1162 CE2 PHE A 125 5.660 -4.383 12.130 1.00 30.96 C ATOM 1163 CZ PHE A 125 6.107 -3.967 13.368 1.00 30.02 C ATOM 1164 HA PHE A 125 1.311 -2.183 12.989 1.00 0.00 H ATOM 1165 HB2 PHE A 125 2.948 -1.874 10.388 1.00 0.00 H ATOM 1166 HB3 PHE A 125 2.913 -0.746 11.764 1.00 0.00 H ATOM 1167 HD2 PHE A 125 4.223 -3.984 10.550 1.00 0.00 H ATOM 1168 HE2 PHE A 125 6.101 -5.251 11.639 1.00 0.00 H ATOM 1169 HZ PHE A 125 6.915 -4.505 13.865 1.00 0.00 H ATOM 1170 HE1 PHE A 125 5.881 -2.546 14.958 1.00 0.00 H ATOM 1171 HD1 PHE A 125 4.032 -1.328 13.844 1.00 0.00 H ATOM 1172 H PHE A 125 1.288 -4.249 10.789 1.00 0.00 H ATOM 1173 N ASN A 126 -0.180 -0.656 11.521 1.00 25.19 N ATOM 1174 CA ASN A 126 -1.212 0.036 10.787 1.00 26.82 C ATOM 1175 C ASN A 126 -0.686 0.783 9.573 1.00 26.28 C ATOM 1176 O ASN A 126 -1.473 1.303 8.785 1.00 26.33 O ATOM 1177 CB ASN A 126 -1.896 1.046 11.699 1.00 28.81 C ATOM 1178 CG ASN A 126 -2.884 0.359 12.642 1.00 33.27 C ATOM 1179 OD1 ASN A 126 -2.761 -0.837 12.903 1.00 40.29 O ATOM 1180 ND2 ASN A 126 -3.855 1.097 13.125 1.00 41.92 N ATOM 1181 HA ASN A 126 -1.905 -0.729 10.438 1.00 0.00 H ATOM 1182 HB2 ASN A 126 -1.139 1.561 12.290 1.00 0.00 H ATOM 1183 HB3 ASN A 126 -2.433 1.771 11.088 1.00 0.00 H ATOM 1184 HD22 ASN A 126 -3.916 2.105 12.875 1.00 0.00 H ATOM 1185 HD21 ASN A 126 -4.564 0.675 13.758 1.00 0.00 H ATOM 1186 H ASN A 126 0.143 -0.261 12.427 1.00 0.00 H ATOM 1187 N SER A 127 0.623 0.825 9.395 1.00 25.29 N ATOM 1188 CA SER A 127 1.240 1.574 8.285 1.00 23.91 C ATOM 1189 C SER A 127 2.593 1.026 7.929 1.00 24.43 C ATOM 1190 O SER A 127 3.294 0.391 8.772 1.00 22.45 O ATOM 1191 CB SER A 127 1.403 3.096 8.656 1.00 24.39 C ATOM 1192 OG SER A 127 2.272 3.303 9.800 1.00 25.61 O ATOM 1193 HA SER A 127 0.573 1.467 7.429 1.00 0.00 H ATOM 1194 HB2 SER A 127 0.420 3.507 8.886 1.00 0.00 H ATOM 1195 HB3 SER A 127 1.824 3.621 7.799 1.00 0.00 H ATOM 1196 HG SER A 127 1.895 2.837 10.588 1.00 0.00 H ATOM 1197 H SER A 127 1.238 0.313 10.060 1.00 0.00 H ATOM 1198 N LEU A 128 3.000 1.232 6.664 1.00 21.62 N ATOM 1199 CA LEU A 128 4.387 0.990 6.309 1.00 22.16 C ATOM 1200 C LEU A 128 5.330 1.818 7.197 1.00 23.04 C ATOM 1201 O LEU A 128 6.414 1.341 7.567 1.00 22.69 O ATOM 1202 CB LEU A 128 4.627 1.443 4.859 1.00 22.65 C ATOM 1203 CG LEU A 128 3.951 0.601 3.770 1.00 23.36 C ATOM 1204 CD1 LEU A 128 4.077 1.358 2.413 1.00 21.26 C ATOM 1205 CD2 LEU A 128 4.654 -0.752 3.711 1.00 23.20 C ATOM 1206 HA LEU A 128 4.585 -0.074 6.437 1.00 0.00 H ATOM 1207 HB2 LEU A 128 4.262 2.466 4.764 1.00 0.00 H ATOM 1208 HB3 LEU A 128 5.702 1.423 4.677 1.00 0.00 H ATOM 1209 HG LEU A 128 2.894 0.442 3.984 1.00 0.00 H ATOM 1210 HD21 LEU A 128 5.707 -0.603 3.471 1.00 0.00 H ATOM 1211 HD22 LEU A 128 4.567 -1.248 4.678 1.00 0.00 H ATOM 1212 HD23 LEU A 128 4.189 -1.368 2.942 1.00 0.00 H ATOM 1213 HD11 LEU A 128 3.587 2.328 2.493 1.00 0.00 H ATOM 1214 HD12 LEU A 128 5.131 1.500 2.174 1.00 0.00 H ATOM 1215 HD13 LEU A 128 3.601 0.773 1.626 1.00 0.00 H ATOM 1216 H LEU A 128 2.326 1.563 5.945 1.00 0.00 H ATOM 1217 N ASN A 129 4.916 3.055 7.517 1.00 21.86 N ATOM 1218 CA ASN A 129 5.750 3.992 8.265 1.00 21.70 C ATOM 1219 C ASN A 129 6.073 3.316 9.652 1.00 21.55 C ATOM 1220 O ASN A 129 7.241 3.361 10.069 1.00 21.74 O ATOM 1221 CB ASN A 129 4.964 5.267 8.491 1.00 21.24 C ATOM 1222 CG ASN A 129 5.838 6.455 8.951 1.00 22.10 C ATOM 1223 OD1 ASN A 129 6.980 6.313 9.462 1.00 26.91 O ATOM 1224 ND2 ASN A 129 5.302 7.619 8.817 1.00 21.19 N ATOM 1225 HA ASN A 129 6.669 4.229 7.728 1.00 0.00 H ATOM 1226 HB2 ASN A 129 4.473 5.540 7.557 1.00 0.00 H ATOM 1227 HB3 ASN A 129 4.210 5.077 9.254 1.00 0.00 H ATOM 1228 HD22 ASN A 129 4.357 7.711 8.392 1.00 0.00 H ATOM 1229 HD21 ASN A 129 5.814 8.467 9.134 1.00 0.00 H ATOM 1230 H ASN A 129 3.966 3.357 7.221 1.00 0.00 H ATOM 1231 N GLU A 130 5.059 2.707 10.280 1.00 22.42 N ATOM 1232 CA GLU A 130 5.260 2.067 11.608 1.00 23.03 C ATOM 1233 C GLU A 130 6.089 0.789 11.504 1.00 23.04 C ATOM 1234 O GLU A 130 6.923 0.532 12.382 1.00 22.78 O ATOM 1235 CB GLU A 130 3.919 1.814 12.298 1.00 23.18 C ATOM 1236 CG GLU A 130 3.258 3.090 12.801 1.00 25.05 C ATOM 1237 CD GLU A 130 1.779 2.909 13.052 1.00 31.80 C ATOM 1238 OE1 GLU A 130 1.358 2.792 14.236 1.00 30.70 O ATOM 1239 OE2 GLU A 130 1.026 2.817 12.074 1.00 26.59 O ATOM 1240 HA GLU A 130 5.829 2.761 12.226 1.00 0.00 H ATOM 1241 HB2 GLU A 130 3.248 1.332 11.587 1.00 0.00 H ATOM 1242 HB3 GLU A 130 4.085 1.151 13.147 1.00 0.00 H ATOM 1243 HG2 GLU A 130 3.738 3.390 13.733 1.00 0.00 H ATOM 1244 HG3 GLU A 130 3.394 3.873 12.055 1.00 0.00 H ATOM 1245 H GLU A 130 4.120 2.681 9.834 1.00 0.00 H ATOM 1246 N LEU A 131 5.888 0.028 10.438 1.00 21.93 N ATOM 1247 CA LEU A 131 6.683 -1.147 10.178 1.00 22.21 C ATOM 1248 C LEU A 131 8.161 -0.800 10.014 1.00 22.75 C ATOM 1249 O LEU A 131 8.996 -1.428 10.572 1.00 22.86 O ATOM 1250 CB LEU A 131 6.184 -1.880 8.938 1.00 22.29 C ATOM 1251 CG LEU A 131 6.878 -3.165 8.505 1.00 21.02 C ATOM 1252 CD1 LEU A 131 6.120 -3.882 7.521 1.00 17.87 C ATOM 1253 CD2 LEU A 131 8.196 -2.854 7.901 1.00 22.30 C ATOM 1254 HA LEU A 131 6.579 -1.802 11.043 1.00 0.00 H ATOM 1255 HB2 LEU A 131 5.137 -2.127 9.113 1.00 0.00 H ATOM 1256 HB3 LEU A 131 6.257 -1.182 8.104 1.00 0.00 H ATOM 1257 HG LEU A 131 6.983 -3.777 9.401 1.00 0.00 H ATOM 1258 HD21 LEU A 131 8.053 -2.213 7.031 1.00 0.00 H ATOM 1259 HD22 LEU A 131 8.818 -2.340 8.634 1.00 0.00 H ATOM 1260 HD23 LEU A 131 8.682 -3.781 7.596 1.00 0.00 H ATOM 1261 HD11 LEU A 131 5.146 -4.144 7.934 1.00 0.00 H ATOM 1262 HD12 LEU A 131 5.985 -3.255 6.640 1.00 0.00 H ATOM 1263 HD13 LEU A 131 6.655 -4.790 7.243 1.00 0.00 H ATOM 1264 H LEU A 131 5.135 0.286 9.769 1.00 0.00 H ATOM 1265 N VAL A 132 8.431 0.210 9.204 1.00 22.05 N ATOM 1266 CA VAL A 132 9.805 0.676 8.985 1.00 22.75 C ATOM 1267 C VAL A 132 10.367 1.085 10.355 1.00 21.65 C ATOM 1268 O VAL A 132 11.471 0.655 10.740 1.00 21.56 O ATOM 1269 CB VAL A 132 9.875 1.860 7.955 1.00 21.58 C ATOM 1270 CG1 VAL A 132 11.235 2.615 8.035 1.00 23.93 C ATOM 1271 CG2 VAL A 132 9.658 1.327 6.562 1.00 22.57 C ATOM 1272 HA VAL A 132 10.403 -0.123 8.547 1.00 0.00 H ATOM 1273 HB VAL A 132 9.090 2.574 8.204 1.00 0.00 H ATOM 1274 HG11 VAL A 132 11.364 3.024 9.037 1.00 0.00 H ATOM 1275 HG12 VAL A 132 12.047 1.922 7.817 1.00 0.00 H ATOM 1276 HG13 VAL A 132 11.242 3.426 7.307 1.00 0.00 H ATOM 1277 HG21 VAL A 132 10.432 0.596 6.329 1.00 0.00 H ATOM 1278 HG22 VAL A 132 8.679 0.852 6.505 1.00 0.00 H ATOM 1279 HG23 VAL A 132 9.707 2.149 5.848 1.00 0.00 H ATOM 1280 H VAL A 132 7.650 0.686 8.710 1.00 0.00 H ATOM 1281 N ASP A 133 9.649 1.906 11.089 1.00 21.93 N ATOM 1282 CA ASP A 133 10.251 2.464 12.332 1.00 23.63 C ATOM 1283 C ASP A 133 10.505 1.383 13.393 1.00 23.66 C ATOM 1284 O ASP A 133 11.530 1.403 14.111 1.00 23.10 O ATOM 1285 CB ASP A 133 9.374 3.563 12.888 1.00 22.91 C ATOM 1286 CG ASP A 133 9.505 4.911 12.097 1.00 24.65 C ATOM 1287 OD1 ASP A 133 10.377 5.063 11.194 1.00 28.49 O ATOM 1288 OD2 ASP A 133 8.709 5.819 12.372 1.00 27.03 O ATOM 1289 HA ASP A 133 11.222 2.881 12.066 1.00 0.00 H ATOM 1290 HB2 ASP A 133 8.336 3.234 12.845 1.00 0.00 H ATOM 1291 HB3 ASP A 133 9.655 3.740 13.926 1.00 0.00 H ATOM 1292 H ASP A 133 8.681 2.161 10.808 1.00 0.00 H ATOM 1293 N TYR A 134 9.574 0.431 13.473 1.00 22.82 N ATOM 1294 CA TYR A 134 9.743 -0.723 14.354 1.00 22.22 C ATOM 1295 C TYR A 134 11.052 -1.432 14.052 1.00 21.99 C ATOM 1296 O TYR A 134 11.844 -1.786 14.940 1.00 23.79 O ATOM 1297 CB TYR A 134 8.543 -1.653 14.271 1.00 21.96 C ATOM 1298 CG TYR A 134 8.688 -2.932 15.123 1.00 21.47 C ATOM 1299 CD1 TYR A 134 8.301 -2.931 16.446 1.00 30.04 C ATOM 1300 CD2 TYR A 134 9.267 -4.098 14.577 1.00 26.86 C ATOM 1301 CE1 TYR A 134 8.392 -4.071 17.197 1.00 30.90 C ATOM 1302 CE2 TYR A 134 9.390 -5.280 15.346 1.00 27.33 C ATOM 1303 CZ TYR A 134 8.935 -5.230 16.656 1.00 29.26 C ATOM 1304 OH TYR A 134 9.060 -6.372 17.443 1.00 29.58 O ATOM 1305 HA TYR A 134 9.795 -0.375 15.386 1.00 0.00 H ATOM 1306 HB3 TYR A 134 8.406 -1.946 13.230 1.00 0.00 H ATOM 1307 HB2 TYR A 134 7.662 -1.110 14.613 1.00 0.00 H ATOM 1308 HD2 TYR A 134 9.625 -4.088 13.547 1.00 0.00 H ATOM 1309 HE2 TYR A 134 9.823 -6.189 14.928 1.00 0.00 H ATOM 1310 HE1 TYR A 134 8.036 -4.070 18.227 1.00 0.00 H ATOM 1311 HD1 TYR A 134 7.920 -2.015 16.897 1.00 0.00 H ATOM 1312 HH TYR A 134 8.696 -6.191 18.346 1.00 0.00 H ATOM 1313 H TYR A 134 8.711 0.511 12.898 1.00 0.00 H ATOM 1314 N HIS A 135 11.357 -1.608 12.772 1.00 21.64 N ATOM 1315 CA HIS A 135 12.521 -2.347 12.419 1.00 21.95 C ATOM 1316 C HIS A 135 13.856 -1.558 12.354 1.00 21.48 C ATOM 1317 O HIS A 135 14.903 -2.115 11.915 1.00 23.29 O ATOM 1318 CB HIS A 135 12.203 -3.106 11.106 1.00 21.78 C ATOM 1319 CG HIS A 135 11.377 -4.321 11.326 1.00 21.38 C ATOM 1320 ND1 HIS A 135 10.032 -4.384 11.038 1.00 26.03 N ATOM 1321 CD2 HIS A 135 11.700 -5.508 11.894 1.00 20.44 C ATOM 1322 CE1 HIS A 135 9.571 -5.568 11.399 1.00 20.81 C ATOM 1323 NE2 HIS A 135 10.561 -6.263 11.907 1.00 23.67 N ATOM 1324 HA HIS A 135 12.729 -3.035 13.239 1.00 0.00 H ATOM 1325 HB2 HIS A 135 11.664 -2.435 10.438 1.00 0.00 H ATOM 1326 HB3 HIS A 135 13.142 -3.403 10.640 1.00 0.00 H ATOM 1327 HD2 HIS A 135 12.680 -5.804 12.269 1.00 0.00 H ATOM 1328 HE1 HIS A 135 8.542 -5.910 11.293 1.00 0.00 H ATOM 1329 H HIS A 135 10.748 -1.208 12.030 1.00 0.00 H ATOM 1330 N ARG A 136 13.849 -0.325 12.865 1.00 22.37 N ATOM 1331 CA ARG A 136 15.052 0.448 13.160 1.00 21.93 C ATOM 1332 C ARG A 136 15.669 -0.066 14.456 1.00 23.84 C ATOM 1333 O ARG A 136 16.831 0.111 14.659 1.00 23.54 O ATOM 1334 CB ARG A 136 14.723 1.925 13.318 1.00 22.76 C ATOM 1335 CG ARG A 136 14.242 2.522 11.947 1.00 20.73 C ATOM 1336 CD ARG A 136 13.939 3.950 12.204 1.00 23.63 C ATOM 1337 NE ARG A 136 13.372 4.613 10.978 1.00 23.40 N ATOM 1338 CZ ARG A 136 14.117 5.110 10.008 1.00 26.34 C ATOM 1339 NH1 ARG A 136 15.422 4.990 10.051 1.00 27.43 N ATOM 1340 NH2 ARG A 136 13.543 5.717 8.957 1.00 27.17 N ATOM 1341 HA ARG A 136 15.752 0.333 12.332 1.00 0.00 H ATOM 1342 HB2 ARG A 136 13.932 2.041 14.059 1.00 0.00 H ATOM 1343 HB3 ARG A 136 15.613 2.459 13.651 1.00 0.00 H ATOM 1344 HG2 ARG A 136 15.028 2.431 11.198 1.00 0.00 H ATOM 1345 HG3 ARG A 136 13.349 2.002 11.600 1.00 0.00 H ATOM 1346 HD2 ARG A 136 14.856 4.462 12.494 1.00 0.00 H ATOM 1347 HD3 ARG A 136 13.214 4.020 13.015 1.00 0.00 H ATOM 1348 HE ARG A 136 12.338 4.683 10.890 1.00 0.00 H ATOM 1349 HH12 ARG A 136 16.006 5.383 9.285 1.00 0.00 H ATOM 1350 HH11 ARG A 136 15.873 4.502 10.851 1.00 0.00 H ATOM 1351 HH22 ARG A 136 14.134 6.107 8.195 1.00 0.00 H ATOM 1352 HH21 ARG A 136 12.507 5.797 8.905 1.00 0.00 H ATOM 1353 H ARG A 136 12.928 0.113 13.066 1.00 0.00 H ATOM 1354 N SER A 137 14.848 -0.702 15.260 1.00 25.21 N ATOM 1355 CA SER A 137 15.404 -1.235 16.537 1.00 26.76 C ATOM 1356 C SER A 137 15.110 -2.685 16.864 1.00 25.92 C ATOM 1357 O SER A 137 15.546 -3.167 17.964 1.00 27.70 O ATOM 1358 CB SER A 137 15.016 -0.315 17.684 1.00 26.97 C ATOM 1359 OG SER A 137 13.629 -0.292 17.937 1.00 26.47 O ATOM 1360 HA SER A 137 16.484 -1.242 16.388 1.00 0.00 H ATOM 1361 HB2 SER A 137 15.340 0.697 17.441 1.00 0.00 H ATOM 1362 HB3 SER A 137 15.527 -0.652 18.586 1.00 0.00 H ATOM 1363 HG SER A 137 13.322 -1.204 18.169 1.00 0.00 H ATOM 1364 H SER A 137 13.845 -0.829 15.015 1.00 0.00 H ATOM 1365 N THR A 138 14.416 -3.406 15.972 1.00 26.21 N ATOM 1366 CA THR A 138 14.282 -4.838 16.050 1.00 24.81 C ATOM 1367 C THR A 138 14.740 -5.351 14.678 1.00 25.77 C ATOM 1368 O THR A 138 14.317 -4.809 13.660 1.00 24.62 O ATOM 1369 CB THR A 138 12.841 -5.222 16.321 1.00 25.86 C ATOM 1370 OG1 THR A 138 12.490 -4.768 17.633 1.00 26.79 O ATOM 1371 CG2 THR A 138 12.630 -6.692 16.235 1.00 25.74 C ATOM 1372 HA THR A 138 14.871 -5.266 16.861 1.00 0.00 H ATOM 1373 HB THR A 138 12.212 -4.756 15.563 1.00 0.00 H ATOM 1374 HG1 THR A 138 12.593 -3.784 17.679 1.00 0.00 H ATOM 1375 HG23 THR A 138 12.897 -7.038 15.237 1.00 0.00 H ATOM 1376 HG21 THR A 138 13.257 -7.192 16.974 1.00 0.00 H ATOM 1377 HG22 THR A 138 11.582 -6.920 16.432 1.00 0.00 H ATOM 1378 H THR A 138 13.952 -2.907 15.186 1.00 0.00 H ATOM 1379 N SER A 139 15.604 -6.363 14.671 1.00 24.91 N ATOM 1380 CA SER A 139 16.174 -6.861 13.390 1.00 23.57 C ATOM 1381 C SER A 139 15.119 -7.237 12.337 1.00 23.95 C ATOM 1382 O SER A 139 14.075 -7.835 12.650 1.00 23.27 O ATOM 1383 CB SER A 139 17.082 -8.107 13.633 1.00 22.72 C ATOM 1384 OG SER A 139 17.816 -8.394 12.431 1.00 23.34 O ATOM 1385 HA SER A 139 16.751 -6.023 12.998 1.00 0.00 H ATOM 1386 HB2 SER A 139 16.463 -8.965 13.897 1.00 0.00 H ATOM 1387 HB3 SER A 139 17.778 -7.899 14.446 1.00 0.00 H ATOM 1388 HG SER A 139 18.394 -9.184 12.579 1.00 0.00 H ATOM 1389 H SER A 139 15.883 -6.809 15.568 1.00 0.00 H ATOM 1390 N VAL A 140 15.386 -6.883 11.074 1.00 24.27 N ATOM 1391 CA VAL A 140 14.548 -7.383 10.020 1.00 25.44 C ATOM 1392 C VAL A 140 14.829 -8.840 9.692 1.00 25.14 C ATOM 1393 O VAL A 140 14.012 -9.485 8.980 1.00 25.22 O ATOM 1394 CB VAL A 140 14.740 -6.554 8.673 1.00 24.96 C ATOM 1395 CG1 VAL A 140 14.161 -5.163 8.866 1.00 26.98 C ATOM 1396 CG2 VAL A 140 16.220 -6.554 8.198 1.00 26.84 C ATOM 1397 HA VAL A 140 13.530 -7.280 10.395 1.00 0.00 H ATOM 1398 HB VAL A 140 14.192 -7.035 7.862 1.00 0.00 H ATOM 1399 HG11 VAL A 140 13.100 -5.242 9.103 1.00 0.00 H ATOM 1400 HG12 VAL A 140 14.681 -4.665 9.684 1.00 0.00 H ATOM 1401 HG13 VAL A 140 14.288 -4.588 7.949 1.00 0.00 H ATOM 1402 HG21 VAL A 140 16.847 -6.105 8.968 1.00 0.00 H ATOM 1403 HG22 VAL A 140 16.542 -7.579 8.017 1.00 0.00 H ATOM 1404 HG23 VAL A 140 16.305 -5.977 7.277 1.00 0.00 H ATOM 1405 H VAL A 140 16.187 -6.256 10.859 1.00 0.00 H ATOM 1406 N SER A 141 16.007 -9.367 10.123 1.00 23.76 N ATOM 1407 CA SER A 141 16.493 -10.671 9.648 1.00 23.86 C ATOM 1408 C SER A 141 16.439 -11.693 10.792 1.00 25.36 C ATOM 1409 O SER A 141 16.571 -11.299 11.976 1.00 26.54 O ATOM 1410 CB SER A 141 17.927 -10.537 9.116 1.00 24.75 C ATOM 1411 OG SER A 141 18.549 -11.787 8.871 1.00 24.30 O ATOM 1412 HA SER A 141 15.854 -11.018 8.836 1.00 0.00 H ATOM 1413 HB2 SER A 141 18.520 -9.992 9.850 1.00 0.00 H ATOM 1414 HB3 SER A 141 17.900 -9.974 8.183 1.00 0.00 H ATOM 1415 HG SER A 141 18.025 -12.289 8.198 1.00 0.00 H ATOM 1416 H SER A 141 16.580 -8.833 10.807 1.00 0.00 H ATOM 1417 N ARG A 142 16.186 -12.951 10.409 1.00 26.21 N ATOM 1418 CA ARG A 142 16.251 -14.094 11.347 1.00 27.05 C ATOM 1419 C ARG A 142 17.636 -14.737 11.321 1.00 26.45 C ATOM 1420 O ARG A 142 17.906 -15.653 12.071 1.00 25.63 O ATOM 1421 CB ARG A 142 15.177 -15.090 10.990 1.00 25.12 C ATOM 1422 CG ARG A 142 13.835 -14.569 11.410 1.00 31.75 C ATOM 1423 CD ARG A 142 12.779 -15.650 11.307 1.00 38.17 C ATOM 1424 NE ARG A 142 11.588 -15.259 12.077 1.00 45.58 N ATOM 1425 CZ ARG A 142 10.411 -15.894 12.013 1.00 44.73 C ATOM 1426 NH1 ARG A 142 10.271 -16.942 11.200 1.00 41.56 N ATOM 1427 NH2 ARG A 142 9.378 -15.457 12.732 1.00 43.34 N ATOM 1428 HA ARG A 142 16.079 -13.740 12.363 1.00 0.00 H ATOM 1429 HB2 ARG A 142 15.180 -15.254 9.912 1.00 0.00 H ATOM 1430 HB3 ARG A 142 15.374 -16.033 11.500 1.00 0.00 H ATOM 1431 HG2 ARG A 142 13.893 -14.224 12.442 1.00 0.00 H ATOM 1432 HG3 ARG A 142 13.557 -13.736 10.764 1.00 0.00 H ATOM 1433 HD2 ARG A 142 13.177 -16.584 11.705 1.00 0.00 H ATOM 1434 HD3 ARG A 142 12.504 -15.789 10.261 1.00 0.00 H ATOM 1435 HE ARG A 142 11.665 -14.438 12.711 1.00 0.00 H ATOM 1436 HH12 ARG A 142 9.359 -17.440 11.145 1.00 0.00 H ATOM 1437 HH11 ARG A 142 11.073 -17.261 10.621 1.00 0.00 H ATOM 1438 HH22 ARG A 142 8.464 -15.950 12.682 1.00 0.00 H ATOM 1439 HH21 ARG A 142 9.486 -14.622 13.343 1.00 0.00 H ATOM 1440 H ARG A 142 15.935 -13.131 9.416 1.00 0.00 H ATOM 1441 N ASN A 143 18.515 -14.213 10.465 1.00 26.53 N ATOM 1442 CA ASN A 143 19.895 -14.710 10.340 1.00 26.66 C ATOM 1443 C ASN A 143 21.019 -13.800 10.835 1.00 25.92 C ATOM 1444 O ASN A 143 22.147 -14.260 11.092 1.00 26.15 O ATOM 1445 CB ASN A 143 20.204 -14.946 8.863 1.00 27.83 C ATOM 1446 CG ASN A 143 19.392 -16.032 8.274 1.00 33.28 C ATOM 1447 OD1 ASN A 143 19.083 -17.000 8.936 1.00 35.91 O ATOM 1448 ND2 ASN A 143 19.082 -15.914 6.970 1.00 39.40 N ATOM 1449 HA ASN A 143 19.895 -15.596 10.975 1.00 0.00 H ATOM 1450 HB2 ASN A 143 20.006 -14.025 8.314 1.00 0.00 H ATOM 1451 HB3 ASN A 143 21.258 -15.206 8.765 1.00 0.00 H ATOM 1452 HD22 ASN A 143 19.368 -15.065 6.442 1.00 0.00 H ATOM 1453 HD21 ASN A 143 18.556 -16.672 6.490 1.00 0.00 H ATOM 1454 H ASN A 143 18.213 -13.421 9.862 1.00 0.00 H ATOM 1455 N GLN A 144 20.779 -12.495 10.831 1.00 25.87 N ATOM 1456 CA GLN A 144 21.743 -11.513 11.288 1.00 25.22 C ATOM 1457 C GLN A 144 20.958 -10.410 11.995 1.00 24.06 C ATOM 1458 O GLN A 144 19.721 -10.255 11.823 1.00 23.48 O ATOM 1459 CB GLN A 144 22.492 -10.832 10.083 1.00 26.58 C ATOM 1460 CG GLN A 144 23.272 -11.780 9.150 1.00 28.53 C ATOM 1461 CD GLN A 144 22.423 -12.320 7.939 1.00 36.93 C ATOM 1462 OE1 GLN A 144 21.329 -11.802 7.638 1.00 41.31 O ATOM 1463 NE2 GLN A 144 22.936 -13.361 7.255 1.00 38.42 N ATOM 1464 HA GLN A 144 22.472 -12.009 11.929 1.00 0.00 H ATOM 1465 HB2 GLN A 144 21.749 -10.308 9.481 1.00 0.00 H ATOM 1466 HB3 GLN A 144 23.199 -10.111 10.494 1.00 0.00 H ATOM 1467 HG2 GLN A 144 24.133 -11.241 8.754 1.00 0.00 H ATOM 1468 HG3 GLN A 144 23.617 -12.632 9.736 1.00 0.00 H ATOM 1469 HE22 GLN A 144 23.852 -13.767 7.535 1.00 0.00 H ATOM 1470 HE21 GLN A 144 22.417 -13.759 6.447 1.00 0.00 H ATOM 1471 H GLN A 144 19.857 -12.161 10.484 1.00 0.00 H ATOM 1472 N GLN A 145 21.675 -9.635 12.801 1.00 23.88 N ATOM 1473 CA GLN A 145 21.133 -8.460 13.435 1.00 24.75 C ATOM 1474 C GLN A 145 21.329 -7.343 12.452 1.00 26.27 C ATOM 1475 O GLN A 145 22.439 -6.781 12.341 1.00 26.90 O ATOM 1476 CB GLN A 145 21.887 -8.152 14.749 1.00 25.54 C ATOM 1477 CG GLN A 145 21.571 -9.169 15.849 1.00 26.73 C ATOM 1478 CD GLN A 145 20.110 -9.158 16.240 1.00 25.13 C ATOM 1479 OE1 GLN A 145 19.278 -9.724 15.566 1.00 28.06 O ATOM 1480 NE2 GLN A 145 19.786 -8.468 17.335 1.00 27.94 N ATOM 1481 HA GLN A 145 20.083 -8.595 13.694 1.00 0.00 H ATOM 1482 HB2 GLN A 145 22.959 -8.170 14.551 1.00 0.00 H ATOM 1483 HB3 GLN A 145 21.599 -7.159 15.095 1.00 0.00 H ATOM 1484 HG2 GLN A 145 21.831 -10.165 15.491 1.00 0.00 H ATOM 1485 HG3 GLN A 145 22.171 -8.933 16.728 1.00 0.00 H ATOM 1486 HE22 GLN A 145 20.527 -7.994 17.890 1.00 0.00 H ATOM 1487 HE21 GLN A 145 18.792 -8.404 17.634 1.00 0.00 H ATOM 1488 H GLN A 145 22.668 -9.886 12.982 1.00 0.00 H ATOM 1489 N ILE A 146 20.272 -7.018 11.735 1.00 24.80 N ATOM 1490 CA ILE A 146 20.255 -5.933 10.791 1.00 25.51 C ATOM 1491 C ILE A 146 19.136 -4.967 11.111 1.00 24.91 C ATOM 1492 O ILE A 146 18.008 -5.331 11.117 1.00 24.60 O ATOM 1493 CB ILE A 146 20.017 -6.421 9.390 1.00 25.94 C ATOM 1494 CG1 ILE A 146 21.024 -7.481 9.015 1.00 25.69 C ATOM 1495 CG2 ILE A 146 20.109 -5.294 8.440 1.00 24.74 C ATOM 1496 CD1 ILE A 146 20.802 -8.008 7.654 1.00 23.86 C ATOM 1497 HA ILE A 146 21.229 -5.449 10.862 1.00 0.00 H ATOM 1498 HB ILE A 146 19.018 -6.855 9.344 1.00 0.00 H ATOM 1499 HG12 ILE A 146 22.023 -7.049 9.065 1.00 0.00 H ATOM 1500 HG13 ILE A 146 20.949 -8.304 9.726 1.00 0.00 H ATOM 1501 HD11 ILE A 146 19.807 -8.450 7.595 1.00 0.00 H ATOM 1502 HD12 ILE A 146 20.883 -7.194 6.933 1.00 0.00 H ATOM 1503 HD13 ILE A 146 21.552 -8.767 7.433 1.00 0.00 H ATOM 1504 HG21 ILE A 146 19.358 -4.546 8.692 1.00 0.00 H ATOM 1505 HG22 ILE A 146 21.102 -4.849 8.501 1.00 0.00 H ATOM 1506 HG23 ILE A 146 19.935 -5.659 7.428 1.00 0.00 H ATOM 1507 H ILE A 146 19.403 -7.576 11.858 1.00 0.00 H ATOM 1508 N PHE A 147 19.494 -3.727 11.349 1.00 24.57 N ATOM 1509 CA PHE A 147 18.537 -2.697 11.718 1.00 24.66 C ATOM 1510 C PHE A 147 18.456 -1.628 10.674 1.00 24.09 C ATOM 1511 O PHE A 147 19.476 -1.074 10.247 1.00 25.18 O ATOM 1512 CB PHE A 147 18.924 -2.054 13.042 1.00 25.79 C ATOM 1513 CG PHE A 147 19.035 -3.040 14.161 1.00 25.42 C ATOM 1514 CD1 PHE A 147 20.251 -3.650 14.458 1.00 30.93 C ATOM 1515 CD2 PHE A 147 17.882 -3.456 14.825 1.00 28.29 C ATOM 1516 CE1 PHE A 147 20.348 -4.636 15.464 1.00 29.82 C ATOM 1517 CE2 PHE A 147 17.989 -4.465 15.883 1.00 27.08 C ATOM 1518 CZ PHE A 147 19.220 -5.029 16.152 1.00 27.38 C ATOM 1519 HA PHE A 147 17.565 -3.182 11.810 1.00 0.00 H ATOM 1520 HB2 PHE A 147 19.887 -1.558 12.919 1.00 0.00 H ATOM 1521 HB3 PHE A 147 18.167 -1.315 13.304 1.00 0.00 H ATOM 1522 HD2 PHE A 147 16.912 -3.036 14.560 1.00 0.00 H ATOM 1523 HE2 PHE A 147 17.108 -4.766 16.450 1.00 0.00 H ATOM 1524 HZ PHE A 147 19.301 -5.797 16.921 1.00 0.00 H ATOM 1525 HE1 PHE A 147 21.313 -5.086 15.696 1.00 0.00 H ATOM 1526 HD1 PHE A 147 21.144 -3.361 13.904 1.00 0.00 H ATOM 1527 H PHE A 147 20.499 -3.472 11.271 1.00 0.00 H ATOM 1528 N LEU A 148 17.216 -1.296 10.353 1.00 23.84 N ATOM 1529 CA LEU A 148 16.992 -0.288 9.302 1.00 22.84 C ATOM 1530 C LEU A 148 17.595 1.081 9.681 1.00 24.62 C ATOM 1531 O LEU A 148 17.423 1.604 10.822 1.00 24.08 O ATOM 1532 CB LEU A 148 15.501 -0.125 8.985 1.00 21.01 C ATOM 1533 CG LEU A 148 14.804 -1.398 8.485 1.00 19.92 C ATOM 1534 CD1 LEU A 148 13.399 -1.135 8.229 1.00 19.55 C ATOM 1535 CD2 LEU A 148 15.516 -2.140 7.277 1.00 22.11 C ATOM 1536 HA LEU A 148 17.501 -0.655 8.411 1.00 0.00 H ATOM 1537 HB2 LEU A 148 14.995 0.204 9.893 1.00 0.00 H ATOM 1538 HB3 LEU A 148 15.400 0.641 8.216 1.00 0.00 H ATOM 1539 HG LEU A 148 14.890 -2.119 9.298 1.00 0.00 H ATOM 1540 HD21 LEU A 148 15.575 -1.466 6.422 1.00 0.00 H ATOM 1541 HD22 LEU A 148 16.521 -2.438 7.577 1.00 0.00 H ATOM 1542 HD23 LEU A 148 14.940 -3.024 7.005 1.00 0.00 H ATOM 1543 HD11 LEU A 148 12.919 -0.804 9.150 1.00 0.00 H ATOM 1544 HD12 LEU A 148 13.309 -0.357 7.471 1.00 0.00 H ATOM 1545 HD13 LEU A 148 12.919 -2.047 7.875 1.00 0.00 H ATOM 1546 H LEU A 148 16.410 -1.741 10.836 1.00 0.00 H ATOM 1547 N ARG A 149 18.285 1.662 8.702 1.00 23.74 N ATOM 1548 CA ARG A 149 18.770 3.006 8.865 1.00 24.80 C ATOM 1549 C ARG A 149 18.652 3.724 7.557 1.00 24.83 C ATOM 1550 O ARG A 149 18.794 3.110 6.502 1.00 25.88 O ATOM 1551 CB ARG A 149 20.233 2.983 9.337 1.00 26.97 C ATOM 1552 CG ARG A 149 21.092 2.077 8.540 1.00 26.38 C ATOM 1553 CD ARG A 149 22.603 2.240 8.924 1.00 30.17 C ATOM 1554 NE ARG A 149 23.063 3.608 8.744 1.00 35.26 N ATOM 1555 CZ ARG A 149 23.841 4.235 9.631 1.00 43.66 C ATOM 1556 NH1 ARG A 149 24.221 3.614 10.740 1.00 46.31 N ATOM 1557 NH2 ARG A 149 24.254 5.468 9.409 1.00 48.41 N ATOM 1558 HA ARG A 149 18.177 3.526 9.618 1.00 0.00 H ATOM 1559 HB2 ARG A 149 20.636 3.993 9.266 1.00 0.00 H ATOM 1560 HB3 ARG A 149 20.256 2.656 10.377 1.00 0.00 H ATOM 1561 HG2 ARG A 149 20.788 1.046 8.723 1.00 0.00 H ATOM 1562 HG3 ARG A 149 20.967 2.308 7.482 1.00 0.00 H ATOM 1563 HD2 ARG A 149 23.200 1.581 8.294 1.00 0.00 H ATOM 1564 HD3 ARG A 149 22.734 1.958 9.969 1.00 0.00 H ATOM 1565 HE ARG A 149 22.773 4.121 7.887 1.00 0.00 H ATOM 1566 HH12 ARG A 149 24.827 4.104 11.429 1.00 0.00 H ATOM 1567 HH11 ARG A 149 23.913 2.637 10.920 1.00 0.00 H ATOM 1568 HH22 ARG A 149 24.859 5.947 10.106 1.00 0.00 H ATOM 1569 HH21 ARG A 149 23.974 5.961 8.537 1.00 0.00 H ATOM 1570 H ARG A 149 18.473 1.144 7.820 1.00 0.00 H ATOM 1571 N ASP A 150 18.395 5.025 7.605 1.00 27.05 N ATOM 1572 CA ASP A 150 18.156 5.753 6.351 1.00 28.81 C ATOM 1573 C ASP A 150 19.365 5.755 5.413 1.00 28.26 C ATOM 1574 O ASP A 150 20.509 5.850 5.858 1.00 27.96 O ATOM 1575 CB ASP A 150 17.778 7.205 6.641 1.00 31.46 C ATOM 1576 CG ASP A 150 16.405 7.331 7.359 1.00 34.04 C ATOM 1577 OD1 ASP A 150 15.607 6.396 7.265 1.00 35.19 O ATOM 1578 OD2 ASP A 150 16.179 8.382 8.002 1.00 38.72 O ATOM 1579 HA ASP A 150 17.341 5.226 5.854 1.00 0.00 H ATOM 1580 HB2 ASP A 150 18.546 7.646 7.276 1.00 0.00 H ATOM 1581 HB3 ASP A 150 17.731 7.749 5.698 1.00 0.00 H ATOM 1582 H ASP A 150 18.363 5.523 8.518 1.00 0.00 H ATOM 1583 N ILE A 151 19.102 5.692 4.110 1.00 28.08 N ATOM 1584 CA ILE A 151 20.155 5.850 3.130 1.00 29.12 C ATOM 1585 C ILE A 151 20.928 7.176 3.384 1.00 31.02 C ATOM 1586 O ILE A 151 20.371 8.141 3.900 1.00 30.31 O ATOM 1587 CB ILE A 151 19.565 5.890 1.723 1.00 28.12 C ATOM 1588 CG1 ILE A 151 18.409 6.934 1.656 1.00 31.23 C ATOM 1589 CG2 ILE A 151 19.196 4.487 1.337 1.00 27.97 C ATOM 1590 CD1 ILE A 151 17.923 7.331 0.241 1.00 37.35 C ATOM 1591 HA ILE A 151 20.835 5.003 3.220 1.00 0.00 H ATOM 1592 HB ILE A 151 20.283 6.238 0.980 1.00 0.00 H ATOM 1593 HG12 ILE A 151 17.557 6.521 2.196 1.00 0.00 H ATOM 1594 HG13 ILE A 151 18.750 7.840 2.156 1.00 0.00 H ATOM 1595 HD11 ILE A 151 18.752 7.765 -0.318 1.00 0.00 H ATOM 1596 HD12 ILE A 151 17.557 6.445 -0.278 1.00 0.00 H ATOM 1597 HD13 ILE A 151 17.119 8.062 0.326 1.00 0.00 H ATOM 1598 HG21 ILE A 151 20.088 3.860 1.355 1.00 0.00 H ATOM 1599 HG22 ILE A 151 18.462 4.098 2.043 1.00 0.00 H ATOM 1600 HG23 ILE A 151 18.771 4.488 0.333 1.00 0.00 H ATOM 1601 H ILE A 151 18.126 5.527 3.791 1.00 0.00 H ATOM 1602 N GLU A 152 22.218 7.143 3.131 1.00 34.57 N ATOM 1603 CA GLU A 152 22.997 8.352 2.900 1.00 40.30 C ATOM 1604 C GLU A 152 22.550 8.929 1.539 1.00 44.24 C ATOM 1605 O GLU A 152 22.729 8.299 0.450 1.00 44.91 O ATOM 1606 CB GLU A 152 24.486 8.015 2.831 1.00 40.32 C ATOM 1607 CG GLU A 152 25.147 7.579 4.154 1.00 42.10 C ATOM 1608 CD GLU A 152 26.535 8.211 4.320 1.00 43.24 C ATOM 1609 OE1 GLU A 152 27.538 7.456 4.506 1.00 39.76 O ATOM 1610 OE2 GLU A 152 26.604 9.470 4.281 1.00 43.26 O ATOM 1611 HA GLU A 152 22.839 9.065 3.709 1.00 0.00 H ATOM 1612 HB2 GLU A 152 24.611 7.204 2.113 1.00 0.00 H ATOM 1613 HB3 GLU A 152 25.011 8.900 2.472 1.00 0.00 H ATOM 1614 HG2 GLU A 152 24.514 7.888 4.986 1.00 0.00 H ATOM 1615 HG3 GLU A 152 25.248 6.494 4.160 1.00 0.00 H ATOM 1616 H GLU A 152 22.699 6.222 3.095 1.00 0.00 H ATOM 1617 N GLN A 153 22.024 10.132 1.622 1.00 48.39 N ATOM 1618 CA GLN A 153 21.512 10.873 0.497 1.00 52.71 C ATOM 1619 C GLN A 153 22.576 11.712 -0.275 1.00 55.00 C ATOM 1620 O GLN A 153 23.337 12.485 0.297 1.00 55.92 O ATOM 1621 CB GLN A 153 20.358 11.763 0.993 1.00 53.03 C ATOM 1622 CG GLN A 153 19.166 10.964 1.454 1.00 55.37 C ATOM 1623 CD GLN A 153 18.508 11.436 2.738 1.00 59.50 C ATOM 1624 OE1 GLN A 153 18.021 12.557 2.831 1.00 60.62 O ATOM 1625 NE2 GLN A 153 18.447 10.544 3.729 1.00 59.17 N ATOM 1626 HA GLN A 153 21.164 10.146 -0.237 1.00 0.00 H ATOM 1627 HB2 GLN A 153 20.716 12.368 1.826 1.00 0.00 H ATOM 1628 HB3 GLN A 153 20.046 12.417 0.179 1.00 0.00 H ATOM 1629 HG2 GLN A 153 18.417 10.995 0.663 1.00 0.00 H ATOM 1630 HG3 GLN A 153 19.491 9.935 1.604 1.00 0.00 H ATOM 1631 HE22 GLN A 153 18.874 9.603 3.609 1.00 0.00 H ATOM 1632 HE21 GLN A 153 17.973 10.790 4.621 1.00 0.00 H ATOM 1633 H GLN A 153 21.974 10.577 2.561 1.00 0.00 H ATOM 1634 N VAL A 154 22.590 11.576 -1.600 1.00 56.70 N ATOM 1635 CA VAL A 154 23.354 12.472 -2.443 1.00 58.15 C ATOM 1636 C VAL A 154 22.953 13.916 -2.220 1.00 58.94 C ATOM 1637 O VAL A 154 23.739 14.739 -1.783 1.00 59.30 O ATOM 1638 CB VAL A 154 23.058 12.241 -3.874 1.00 58.23 C ATOM 1639 CG1 VAL A 154 23.631 10.910 -4.339 1.00 59.51 C ATOM 1640 CG2 VAL A 154 21.568 12.372 -4.080 1.00 58.46 C ATOM 1641 HA VAL A 154 24.398 12.285 -2.193 1.00 0.00 H ATOM 1642 HB VAL A 154 23.545 12.991 -4.498 1.00 0.00 H ATOM 1643 HG11 VAL A 154 24.712 10.913 -4.200 1.00 0.00 H ATOM 1644 HG12 VAL A 154 23.191 10.102 -3.755 1.00 0.00 H ATOM 1645 HG13 VAL A 154 23.399 10.765 -5.394 1.00 0.00 H ATOM 1646 HG21 VAL A 154 21.051 11.633 -3.468 1.00 0.00 H ATOM 1647 HG22 VAL A 154 21.249 13.373 -3.790 1.00 0.00 H ATOM 1648 HG23 VAL A 154 21.332 12.205 -5.131 1.00 0.00 H ATOM 1649 H VAL A 154 22.040 10.810 -2.039 1.00 0.00 H TER 1650 VAL A 154 HETATM 1651 O HOH 1 16.062 -13.461 7.543 1.00 27.09 O HETATM 1652 O HOH 2 18.439 -12.454 6.277 1.00 28.97 O HETATM 1653 O HOH 3 4.025 -8.913 -0.234 1.00 28.57 O HETATM 1654 O HOH 4 2.492 -5.152 0.611 1.00 26.71 O HETATM 1655 O HOH 5 -0.241 -5.109 -0.254 1.00 34.10 O HETATM 1656 O HOH 6 -0.352 -12.453 4.492 1.00 38.68 O HETATM 1657 O HOH 7 6.706 -11.729 -5.880 1.00 25.55 O HETATM 1658 O HOH 8 16.342 5.158 3.272 1.00 32.29 O HETATM 1659 O HOH 9 18.670 6.397 10.241 1.00 32.01 O HETATM 1660 O HOH 10 23.140 4.810 6.132 1.00 34.00 O HETATM 1661 O HOH 11 24.243 7.557 7.539 1.00 49.39 O HETATM 1662 O HOH 12 24.839 3.793 4.128 1.00 27.59 O HETATM 1663 O HOH 13 10.706 6.610 9.120 1.00 26.67 O HETATM 1664 O HOH 14 0.767 -0.016 14.142 1.00 41.21 O HETATM 1665 O HOH 15 1.921 -3.961 16.702 1.00 39.43 O HETATM 1666 O HOH 16 -3.554 -1.929 16.134 1.00 55.01 O HETATM 1667 O HOH 17 7.010 -7.806 11.238 1.00 28.77 O HETATM 1668 O HOH 18 8.193 -9.744 14.349 1.00 34.63 O HETATM 1669 O HOH 19 4.294 -3.718 -12.623 1.00 31.74 O HETATM 1670 O HOH 20 3.918 -2.555 -9.469 1.00 12.34 O HETATM 1671 O HOH 21 23.334 2.912 -13.517 1.00 24.38 O HETATM 1672 O HOH 22 25.351 2.805 -9.866 1.00 30.81 O HETATM 1673 O HOH 23 21.453 4.605 -7.883 1.00 41.18 O HETATM 1674 O HOH 24 23.408 4.647 -2.873 1.00 35.08 O HETATM 1675 O HOH 25 28.022 -1.604 8.269 1.00 31.90 O HETATM 1676 O HOH 26 26.594 -5.017 10.258 1.00 37.53 O HETATM 1677 O HOH 27 21.811 -0.314 10.856 1.00 38.80 O HETATM 1678 O HOH 28 22.370 -2.939 11.115 1.00 32.12 O HETATM 1679 O HOH 29 24.985 -0.140 10.175 1.00 24.68 O HETATM 1680 O HOH 30 2.327 -1.009 -4.373 1.00 24.88 O HETATM 1681 O HOH 31 3.323 -2.842 -6.362 1.00 33.58 O HETATM 1682 O HOH 32 -1.573 -6.847 -4.373 1.00 36.44 O HETATM 1683 O HOH 33 -6.389 -11.156 9.848 1.00 45.05 O HETATM 1684 O HOH 34 -5.733 -6.810 12.300 1.00 33.72 O HETATM 1685 O HOH 35 6.051 -15.439 9.133 1.00 41.37 O HETATM 1686 O HOH 36 11.565 -2.234 17.609 1.00 29.46 O HETATM 1687 O HOH 37 11.963 -18.352 9.632 1.00 47.57 O HETATM 1688 O HOH 38 21.789 -6.350 18.328 1.00 21.45 O HETATM 1689 O HOH 39 20.852 9.434 6.500 1.00 30.16 O HETATM 1690 O HOH 40 9.536 9.522 0.004 1.00 32.59 O HETATM 1691 O HOH 41 22.872 -11.600 3.127 1.00 28.86 O HETATM 1692 O HOH 42 6.639 -14.118 7.272 1.00 44.23 O HETATM 1693 O HOH 43 6.535 1.534 15.296 1.00 30.80 O HETATM 1694 O HOH 44 10.038 -13.392 14.540 1.00 42.71 O HETATM 1695 O HOH 45 11.449 -5.747 -10.225 1.00 26.62 O HETATM 1696 O HOH 46 14.505 -6.084 -11.526 1.00 31.19 O HETATM 1697 O HOH 47 9.959 -3.075 -7.292 1.00 23.05 O HETATM 1698 O HOH 48 20.122 -14.465 5.260 1.00 39.01 O HETATM 1699 O HOH 49 27.500 8.336 6.751 1.00 39.25 O HETATM 1700 O HOH 50 -6.526 -10.071 12.256 1.00 53.49 O HETATM 1701 O HOH 51 3.315 -14.732 11.015 1.00 34.43 O HETATM 1702 O HOH 52 26.829 5.503 2.502 1.00 22.18 O HETATM 1703 O HOH 53 20.058 -1.724 -11.950 1.00 35.59 O HETATM 1704 O HOH 54 10.760 12.021 7.253 1.00 44.97 O HETATM 1705 O HOH 55 8.671 8.241 11.073 1.00 26.72 O HETATM 1706 O HOH 56 4.155 6.901 12.347 1.00 39.14 O HETATM 1707 O HOH 57 16.495 -11.686 -0.850 1.00 32.66 O HETATM 1708 O HOH 58 15.327 -16.001 6.451 1.00 31.30 O HETATM 1709 O HOH 59 9.721 -6.345 -8.205 1.00 25.69 O HETATM 1710 O HOH 60 9.139 -16.342 -0.009 1.00 41.09 O HETATM 1711 O HOH 61 11.405 -16.400 -2.119 1.00 23.64 O HETATM 1712 O HOH 62 15.135 -15.733 -8.923 1.00 50.41 O HETATM 1713 C ACE A 63 13.575 -13.482 -2.478 1.00 0.18 C HETATM 1714 O ACE A 63 14.152 -12.444 -2.542 1.00 -0.40 O HETATM 1715 CH3 ACE A 63 13.674 -14.438 -3.643 1.00 0.03 C HETATM 1716 H1 ACE A 63 13.088 -15.343 -3.425 1.00 0.05 H HETATM 1717 H2 ACE A 63 14.727 -14.713 -3.803 1.00 0.05 H HETATM 1718 H3 ACE A 63 13.279 -13.954 -4.549 1.00 0.05 H HETATM 1719 N ACE A 63 12.846 -13.874 -1.473 1.00 -0.26 N HETATM 1720 CA ACE A 63 12.598 -13.066 -0.286 1.00 0.15 C HETATM 1721 C ACE A 63 13.005 -13.827 0.980 1.00 0.20 C HETATM 1722 O ACE A 63 12.720 -14.984 1.113 1.00 -0.39 O HETATM 1723 N ACE A 63 13.624 -13.108 1.865 1.00 -0.27 N HETATM 1724 CA ACE A 63 14.074 -13.630 3.121 1.00 0.13 C HETATM 1725 C ACE A 63 12.922 -14.281 3.909 1.00 0.23 C HETATM 1726 O ACE A 63 13.111 -15.257 4.591 1.00 -0.34 O HETATM 1727 N ACE A 63 11.776 -13.667 3.839 1.00 -0.26 N HETATM 1728 CA ACE A 63 10.598 -14.097 4.561 1.00 0.15 C HETATM 1729 C ACE A 63 9.577 -14.755 3.655 1.00 0.20 C HETATM 1730 O ACE A 63 8.437 -14.849 3.987 1.00 -0.39 O HETATM 1731 N ACE A 63 10.037 -15.274 2.567 1.00 -0.30 N HETATM 1732 H27 ACE A 63 9.415 -15.724 1.926 1.00 0.18 H HETATM 1733 H28 ACE A 63 11.015 -15.227 2.365 1.00 0.18 H HETATM 1734 CB ACE A 63 9.997 -12.913 5.301 1.00 0.08 C HETATM 1735 CG ACE A 63 9.427 -11.802 4.442 1.00 0.18 C HETATM 1736 OD1 ACE A 63 9.885 -11.695 3.236 1.00 -0.40 O HETATM 1737 ND2 ACE A 63 8.575 -10.994 4.985 1.00 -0.30 N HETATM 1738 H25 ACE A 63 8.179 -10.250 4.447 1.00 0.18 H HETATM 1739 H26 ACE A 63 8.312 -11.114 5.942 1.00 0.18 H HETATM 1740 H23 ACE A 63 10.786 -12.477 5.932 1.00 0.06 H HETATM 1741 H24 ACE A 63 9.185 -13.293 5.939 1.00 0.06 H HETATM 1742 H22 ACE A 63 10.911 -14.843 5.306 1.00 0.08 H HETATM 1743 H21 ACE A 63 11.706 -12.857 3.257 1.00 0.19 H HETATM 1744 CB1 ACE A 63 15.198 -14.584 2.817 1.00 -0.02 C HETATM 1745 CG1 ACE A 63 16.504 -13.867 3.044 1.00 -0.05 C HETATM 1746 CG2 ACE A 63 16.127 -12.451 3.407 1.00 -0.05 C HETATM 1747 CB2 ACE A 63 14.713 -12.546 3.948 1.00 -0.02 C HETATM 1748 H15 ACE A 63 14.720 -12.821 5.013 1.00 0.03 H HETATM 1749 H16 ACE A 63 14.181 -11.592 3.819 1.00 0.03 H HETATM 1750 H19 ACE A 63 16.808 -12.054 4.174 1.00 0.03 H HETATM 1751 H20 ACE A 63 16.158 -11.803 2.519 1.00 0.03 H HETATM 1752 H17 ACE A 63 17.114 -13.880 2.129 1.00 0.03 H HETATM 1753 H18 ACE A 63 17.064 -14.338 3.865 1.00 0.03 H HETATM 1754 H13 ACE A 63 15.132 -14.914 1.770 1.00 0.03 H HETATM 1755 H14 ACE A 63 15.134 -15.458 3.482 1.00 0.03 H HETATM 1756 H12 ACE A 63 13.795 -12.144 1.661 1.00 0.18 H HETATM 1757 CB ACE A 63 11.122 -12.633 -0.236 1.00 0.04 C HETATM 1758 CG ACE A 63 10.735 -11.926 -1.536 1.00 -0.00 C HETATM 1759 CD1 ACE A 63 10.211 -12.647 -2.557 1.00 -0.02 C HETATM 1760 CE1 ACE A 63 9.904 -12.024 -3.729 1.00 0.01 C HETATM 1761 CZ ACE A 63 10.103 -10.680 -3.942 1.00 0.17 C HETATM 1762 CE2 ACE A 63 10.638 -9.957 -2.907 1.00 0.01 C HETATM 1763 CD2 ACE A 63 10.948 -10.582 -1.718 1.00 -0.02 C HETATM 1764 H9 ACE A 63 11.370 -9.998 -0.908 1.00 0.07 H HETATM 1765 H11 ACE A 63 10.817 -8.894 -3.024 1.00 0.07 H HETATM 1766 OH ACE A 63 9.772 -10.214 -5.147 1.00 -0.20 O HETATM 1767 P ACE A 63 10.038 -8.780 -5.680 1.00 0.13 P HETATM 1768 O1P ACE A 63 9.932 -8.851 -7.159 1.00 -0.67 O HETATM 1769 O2P ACE A 63 9.163 -7.829 -5.111 1.00 -0.67 O HETATM 1770 O3P ACE A 63 11.301 -8.430 -5.467 1.00 -0.67 O HETATM 1771 H10 ACE A 63 9.482 -12.617 -4.533 1.00 0.07 H HETATM 1772 H8 ACE A 63 10.038 -13.711 -2.442 1.00 0.07 H HETATM 1773 H6 ACE A 63 10.973 -11.945 0.610 1.00 0.06 H HETATM 1774 H7 ACE A 63 10.487 -13.521 -0.102 1.00 0.06 H HETATM 1775 H5 ACE A 63 13.217 -12.159 -0.351 1.00 0.08 H HETATM 1776 H4 ACE A 63 12.432 -14.783 -1.518 1.00 0.19 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1713 1714 1715 1719 CONECT 1714 1713 CONECT 1715 1713 1716 1717 1718 CONECT 1716 1715 CONECT 1717 1715 CONECT 1718 1715 CONECT 1719 1713 1720 1776 CONECT 1720 1719 1721 1757 1775 CONECT 1721 1720 1722 1723 CONECT 1722 1721 CONECT 1723 1721 1724 1756 CONECT 1724 1723 1725 1744 1747 CONECT 1725 1724 1726 1727 CONECT 1726 1725 CONECT 1727 1725 1728 1743 CONECT 1728 1727 1729 1734 1742 CONECT 1729 1728 1730 1731 CONECT 1730 1729 CONECT 1731 1729 1732 1733 CONECT 1732 1731 CONECT 1733 1731 CONECT 1734 1728 1735 1740 1741 CONECT 1735 1734 1736 1737 CONECT 1736 1735 CONECT 1737 1735 1738 1739 CONECT 1738 1737 CONECT 1739 1737 CONECT 1740 1734 CONECT 1741 1734 CONECT 1742 1728 CONECT 1743 1727 CONECT 1744 1724 1745 1754 1755 CONECT 1745 1744 1746 1752 1753 CONECT 1746 1745 1747 1750 1751 CONECT 1747 1724 1746 1748 1749 CONECT 1748 1747 CONECT 1749 1747 CONECT 1750 1746 CONECT 1751 1746 CONECT 1752 1745 CONECT 1753 1745 CONECT 1754 1744 CONECT 1755 1744 CONECT 1756 1723 CONECT 1757 1720 1758 1773 1774 CONECT 1758 1757 1759 1763 CONECT 1759 1758 1760 1772 CONECT 1760 1759 1761 1771 CONECT 1761 1760 1762 1766 CONECT 1762 1761 1763 1765 CONECT 1763 1758 1762 1764 CONECT 1764 1763 CONECT 1765 1762 CONECT 1766 1761 1767 CONECT 1767 1766 1768 1769 1770 CONECT 1768 1767 CONECT 1769 1767 CONECT 1770 1767 CONECT 1771 1760 CONECT 1772 1759 CONECT 1773 1757 CONECT 1774 1757 CONECT 1775 1720 CONECT 1776 1719 MASTER 0 0 0 0 0 0 0 0 1775 1 68 8 END
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Related entries of code: 3s8n
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1bm2
RCSB PDB
PDBbind
117aa, >1BM2_1|Chain... at 100%
1bmb
RCSB PDB
PDBbind
123aa, >1BMB_1|Chain... *
1cj1
RCSB PDB
PDBbind
96aa, >1CJ1_1|Chains... at 100%
1fyr
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PDBbind
114aa, >1FYR_1|Chains... at 98%
1jyq
RCSB PDB
PDBbind
96aa, >1JYQ_1|Chains... at 95%
1tze
RCSB PDB
PDBbind
98aa, >1TZE_1|Chain... at 100%
1x0n
RCSB PDB
PDBbind
104aa, >1X0N_1|Chain... at 98%
1zfp
RCSB PDB
PDBbind
98aa, >1ZFP_1|Chain... at 100%
3mxc
RCSB PDB
PDBbind
101aa, >3MXC_1|Chain... at 97%
3mxy
RCSB PDB
PDBbind
101aa, >3MXY_1|Chain... at 97%
3ov1
RCSB PDB
PDBbind
117aa, >3OV1_1|Chain... at 94%
3ove
RCSB PDB
PDBbind
117aa, >3OVE_1|Chain... at 94%
3s8l
RCSB PDB
PDBbind
117aa, >3S8L_1|Chain... at 94%
3s8o
RCSB PDB
PDBbind
117aa, >3S8O_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1apv
RCSB PDB
PDBbind
5-mer
1apw
RCSB PDB
PDBbind
5-mer
1b6j
RCSB PDB
PDBbind
5-mer
1bhf
RCSB PDB
PDBbind
5-mer
1cpi
RCSB PDB
PDBbind
5-mer
1f1j
RCSB PDB
PDBbind
5-mer
1f9e
RCSB PDB
PDBbind
5-mer
1fch
RCSB PDB
PDBbind
5-mer
1fiv
RCSB PDB
PDBbind
5-mer
1fyr
RCSB PDB
PDBbind
5-mer
1gny
RCSB PDB
PDBbind
5-mer
1gu3
RCSB PDB
PDBbind
5-mer
1h5v
RCSB PDB
PDBbind
5-mer
1h9l
RCSB PDB
PDBbind
5-mer
1hef
RCSB PDB
PDBbind
5-mer
1iau
RCSB PDB
PDBbind
5-mer
1jq8
RCSB PDB
PDBbind
5-mer
1jq9
RCSB PDB
PDBbind
5-mer
1k9q
RCSB PDB
PDBbind
5-mer
1m7i
RCSB PDB
PDBbind
5-mer
1mf4
RCSB PDB
PDBbind
5-mer
1mhw
RCSB PDB
PDBbind
5-mer
1nh0
RCSB PDB
PDBbind
5-mer
1ny2
RCSB PDB
PDBbind
5-mer
1o9d
RCSB PDB
PDBbind
5-mer
1p02
RCSB PDB
PDBbind
5-mer
1p03
RCSB PDB
PDBbind
5-mer
1p04
RCSB PDB
PDBbind
5-mer
1p05
RCSB PDB
PDBbind
5-mer
1p06
RCSB PDB
PDBbind
5-mer
1p10
RCSB PDB
PDBbind
5-mer
1pau
RCSB PDB
PDBbind
5-mer
1qm5
RCSB PDB
PDBbind
5-mer
1qtn
RCSB PDB
PDBbind
5-mer
1shd
RCSB PDB
PDBbind
5-mer
1t37
RCSB PDB
PDBbind
5-mer
1tmb
RCSB PDB
PDBbind
5-mer
1w9u
RCSB PDB
PDBbind
5-mer
1w9v
RCSB PDB
PDBbind
5-mer
1waw
RCSB PDB
PDBbind
5-mer
1wb0
RCSB PDB
PDBbind
5-mer
1ym4
RCSB PDB
PDBbind
5-mer
1zm6
RCSB PDB
PDBbind
5-mer
2bcd
RCSB PDB
PDBbind
5-mer
2ce9
RCSB PDB
PDBbind
5-mer
2fgu
RCSB PDB
PDBbind
5-mer
2fgv
RCSB PDB
PDBbind
5-mer
2h5d
RCSB PDB
PDBbind
5-mer
2h5i
RCSB PDB
PDBbind
5-mer
2h5j
RCSB PDB
PDBbind
5-mer
2j9a
RCSB PDB
PDBbind
5-mer
2k1q
RCSB PDB
PDBbind
5-mer
2l6j
RCSB PDB
PDBbind
5-mer
2lpr
RCSB PDB
PDBbind
5-mer
2m0u
RCSB PDB
PDBbind
5-mer
2m0v
RCSB PDB
PDBbind
5-mer
2pcu
RCSB PDB
PDBbind
5-mer
2ql5
RCSB PDB
PDBbind
5-mer
2ql7
RCSB PDB
PDBbind
5-mer
2ql9
RCSB PDB
PDBbind
5-mer
2qlb
RCSB PDB
PDBbind
5-mer
2qlf
RCSB PDB
PDBbind
5-mer
2qlj
RCSB PDB
PDBbind
5-mer
3atw
RCSB PDB
PDBbind
5-mer
3ayc
RCSB PDB
PDBbind
5-mer
3c88
RCSB PDB
PDBbind
5-mer
3c89
RCSB PDB
PDBbind
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3c8a
RCSB PDB
PDBbind
5-mer
3c8b
RCSB PDB
PDBbind
5-mer
3chf
RCSB PDB
PDBbind
5-mer
3e7a
RCSB PDB
PDBbind
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3gjq
RCSB PDB
PDBbind
5-mer
3gjs
RCSB PDB
PDBbind
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3gjt
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PDBbind
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3ibc
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PDBbind
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3iqg
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PDBbind
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3iqh
RCSB PDB
PDBbind
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3iqi
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PDBbind
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3jzh
RCSB PDB
PDBbind
5-mer
3k05
RCSB PDB
PDBbind
5-mer
3k0h
RCSB PDB
PDBbind
5-mer
3k15
RCSB PDB
PDBbind
5-mer
3lpr
RCSB PDB
PDBbind
5-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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3nzw
RCSB PDB
PDBbind
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3nzx
RCSB PDB
PDBbind
5-mer
3ov1
RCSB PDB
PDBbind
5-mer
3ove
RCSB PDB
PDBbind
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3oyp
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PDBbind
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3qw5
RCSB PDB
PDBbind
5-mer
3qw6
RCSB PDB
PDBbind
5-mer
3qw7
RCSB PDB
PDBbind
5-mer
3qw8
RCSB PDB
PDBbind
5-mer
3r7b
RCSB PDB
PDBbind
5-mer
3r7n
RCSB PDB
PDBbind
5-mer
3s8l
RCSB PDB
PDBbind
5-mer
3s8o
RCSB PDB
PDBbind
5-mer
3sxu
RCSB PDB
PDBbind
5-mer
3t6b
RCSB PDB
PDBbind
5-mer
3t6j
RCSB PDB
PDBbind
5-mer
3th0
RCSB PDB
PDBbind
5-mer
3u1i
RCSB PDB
PDBbind
5-mer
3u4w
RCSB PDB
PDBbind
5-mer
3vb4
RCSB PDB
PDBbind
5-mer
3vb5
RCSB PDB
PDBbind
5-mer
3vb7
RCSB PDB
PDBbind
5-mer
3wqv
RCSB PDB
PDBbind
5-mer
4czs
RCSB PDB
PDBbind
5-mer
4d8i
RCSB PDB
PDBbind
5-mer
4dkt
RCSB PDB
PDBbind
5-mer
4est
RCSB PDB
PDBbind
5-mer
4gm3
RCSB PDB
PDBbind
5-mer
4gm8
RCSB PDB
PDBbind
5-mer
4i9c
RCSB PDB
PDBbind
5-mer
4j78
RCSB PDB
PDBbind
5-mer
4j81
RCSB PDB
PDBbind
5-mer
4j82
RCSB PDB
PDBbind
5-mer
4j84
RCSB PDB
PDBbind
5-mer
4k3m
RCSB PDB
PDBbind
5-mer
4kvm
RCSB PDB
PDBbind
5-mer
4l6t
RCSB PDB
PDBbind
5-mer
4lte
RCSB PDB
PDBbind
5-mer
4omc
RCSB PDB
PDBbind
5-mer
4omd
RCSB PDB
PDBbind
5-mer
4pry
RCSB PDB
PDBbind
5-mer
4ps0
RCSB PDB
PDBbind
5-mer
4ps1
RCSB PDB
PDBbind
5-mer
4q6f
RCSB PDB
PDBbind
5-mer
4rcp
RCSB PDB
PDBbind
5-mer
4rsp
RCSB PDB
PDBbind
5-mer
4ryd
RCSB PDB
PDBbind
5-mer
4sga
RCSB PDB
PDBbind
5-mer
4whh
RCSB PDB
PDBbind
5-mer
4whl
RCSB PDB
PDBbind
5-mer
4wvs
RCSB PDB
PDBbind
5-mer
4wvu
RCSB PDB
PDBbind
5-mer
4x13
RCSB PDB
PDBbind
5-mer
4x9w
RCSB PDB
PDBbind
5-mer
4yec
RCSB PDB
PDBbind
5-mer
4yv8
RCSB PDB
PDBbind
5-mer
4z5w
RCSB PDB
PDBbind
5-mer
4z7q
RCSB PDB
PDBbind
5-mer
4zro
RCSB PDB
PDBbind
5-mer
5axi
RCSB PDB
PDBbind
5-mer
5bmm
RCSB PDB
PDBbind
5-mer
5btr
RCSB PDB
PDBbind
5-mer
5e3a
RCSB PDB
PDBbind
5-mer
5e8f
RCSB PDB
PDBbind
5-mer
5eld
RCSB PDB
PDBbind
5-mer
5ele
RCSB PDB
PDBbind
5-mer
5elf
RCSB PDB
PDBbind
5-mer
5f5b
RCSB PDB
PDBbind
5-mer
5h7h
RCSB PDB
PDBbind
5-mer
5icv
RCSB PDB
PDBbind
5-mer
5jr6
RCSB PDB
PDBbind
5-mer
5lpr
RCSB PDB
PDBbind
5-mer
5n99
RCSB PDB
PDBbind
5-mer
5nwi
RCSB PDB
PDBbind
5-mer
5nwk
RCSB PDB
PDBbind
5-mer
5ttw
RCSB PDB
PDBbind
5-mer
5x54
RCSB PDB
PDBbind
5-mer
5yc1
RCSB PDB
PDBbind
5-mer
5zob
RCSB PDB
PDBbind
5-mer
6ax4
RCSB PDB
PDBbind
5-mer
6b5q
RCSB PDB
PDBbind
5-mer
6eqv
RCSB PDB
PDBbind
5-mer
6eqw
RCSB PDB
PDBbind
5-mer
6lpr
RCSB PDB
PDBbind
5-mer
6mub
RCSB PDB
PDBbind
5-mer
7lpr
RCSB PDB
PDBbind
5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
3s8n
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Growth factor receptor-bound protein 2, Grb2-SH2
Ligand Name
5-mer
EC.Number
E.C.-.-.-.-
Resolution
1.71(Å)
Affinity (Kd/Ki/IC50)
Kd=0.62uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Am.Chem.Soc. Vol. 133: pp. 18518-18521
Ligand Properties
Formula
C
2
1
H
3
1
N
5
O
9
P
Molecular Weight
528.473
Exact Mass
528.186
No. of atoms
67
No. of bonds
68
Polar Surface Area
256.99
LOGP Value
-2.72 (
Computed with XLOGP3
)
0.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 5
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 14
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 2
Canonical SMILES
CC(=O)N[C@H](C(=O)NC1(CCCC1)C(=O)N[C@H](C(=O)N)CC(=O)N)Cc1ccc(cc1)OP(O)(O)O
InChI String
InChI=1S/C21H32N5O9P/c1-12(27)24-16(10-13-4-6-14(7-5-13)35-36(32,33)34)19(30)26-21(8-2-3-9-21)20(31)25-15(18(23)29)11-17(22)28/h4-7,15-16,32-34,36H,2-3,8-11H2,1H3,(H2,22,28)(H2,23,29)(H,24,27)(H,25,31)(H,26,30)/t15-,16-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P62993
Entrez Gene ID
NCBI Entrez Gene ID:
2885
ASD
Information of known allosteric effects of PDB entries
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