Browse entries in the PDBbind-CN Database
HEADER 5XYF_COMPLEX COMPND 5XYF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 87 LEU VAL ALA GLY PRO ALA ALA LEU ARG PHE ALA ALA ALA SEQRES 2 A 87 ALA SER TRP GLN VAL VAL ARG GLY ARG CYS VAL GLU HIS SEQRES 3 A 87 PHE PRO ARG VAL LEU GLU PHE LEU ARG SER LEU ARG ALA SEQRES 4 A 87 VAL ALA PRO GLY LEU VAL ARG TYR ARG HIS HIS GLU ARG SEQRES 5 A 87 LEU CYS MSE GLY LEU LYS ALA LYS VAL VAL VAL GLU LEU SEQRES 6 A 87 ILE LEU GLN GLY ARG PRO TRP ALA GLN VAL LEU LYS ALA SEQRES 7 A 87 LEU ASN HIS HIS PHE PRO GLU SER GLY SEQRES 1 A 105 ARG ASP PRO LYS ALA THR LYS GLN ASP LEU ARG LYS ILE SEQRES 2 A 105 LEU GLU ALA GLN GLU THR PHE TYR GLN GLN VAL LYS GLN SEQRES 3 A 105 LEU SER GLU ALA PRO VAL ASP LEU ALA SER LYS LEU GLN SEQRES 4 A 105 GLU LEU GLU GLN GLU TYR GLY GLU PRO PHE LEU ALA ALA SEQRES 5 A 105 MSE GLU LYS LEU LEU PHE GLU TYR LEU CYS GLN LEU GLU SEQRES 6 A 105 LYS ALA LEU PRO THR PRO GLN ALA GLN GLN LEU GLN ASP SEQRES 7 A 105 VAL LEU SER TRP MSE GLN PRO GLY VAL SER ILE THR SER SEQRES 8 A 105 SER LEU ALA TRP ARG GLN TYR GLY VAL ASP MSE GLY TRP SEQRES 9 A 105 LEU SEQRES 1 B 25 SER SER LEU CYS ALA ARG VAL GLN ALA ALA ARG LEU PRO SEQRES 2 B 25 PRO GLN LEU MSE ALA TRP ALA LEU HIS PHE LEU MSE HET MSE A 59 9 HET MSE A 147 9 HET MSE A 177 9 HET MSE A 196 9 HET MSE B 525 9 HET MSE B 533 9 HET LYS A 290 218 ATOM 1 N LEU A 5 19.007 16.337 6.134 1.00 78.23 N ATOM 2 CA LEU A 5 18.079 17.093 6.965 1.00 81.45 C ATOM 3 C LEU A 5 18.174 16.599 8.407 1.00 84.37 C ATOM 4 O LEU A 5 18.009 15.410 8.682 1.00 86.49 O ATOM 5 CB LEU A 5 16.658 16.980 6.415 1.00 80.96 C ATOM 6 CG LEU A 5 16.498 17.693 5.066 1.00 78.01 C ATOM 7 CD1 LEU A 5 15.634 16.887 4.107 1.00 79.06 C ATOM 8 CD2 LEU A 5 15.938 19.100 5.252 1.00 76.19 C ATOM 9 HN3 LEU A 5 18.762 15.327 6.173 1.00 0.00 H ATOM 10 HN2 LEU A 5 19.976 16.474 6.486 1.00 0.00 H ATOM 11 HN1 LEU A 5 18.943 16.673 5.152 1.00 0.00 H ATOM 12 N VAL A 6 18.435 17.532 9.322 1.00 84.42 N ATOM 13 CA VAL A 6 19.022 17.204 10.616 1.00 84.65 C ATOM 14 C VAL A 6 18.188 17.767 11.762 1.00 87.69 C ATOM 15 O VAL A 6 17.153 18.408 11.543 1.00 88.21 O ATOM 16 CB VAL A 6 20.471 17.732 10.676 1.00 80.70 C ATOM 17 CG1 VAL A 6 20.491 19.219 11.024 1.00 78.51 C ATOM 18 CG2 VAL A 6 21.333 16.913 11.637 1.00 82.43 C ATOM 19 H VAL A 6 18.213 18.525 9.107 1.00 0.00 H ATOM 20 N ALA A 7 18.632 17.512 12.990 1.00 85.17 N ATOM 21 CA ALA A 7 18.073 18.104 14.196 1.00 80.59 C ATOM 22 C ALA A 7 19.204 18.254 15.209 1.00 73.75 C ATOM 23 O ALA A 7 20.378 18.040 14.888 1.00 73.86 O ATOM 24 CB ALA A 7 16.912 17.255 14.730 1.00 82.59 C ATOM 25 H ALA A 7 19.427 16.849 13.094 1.00 0.00 H ATOM 26 N GLY A 8 18.856 18.629 16.436 1.00 63.64 N ATOM 27 CA GLY A 8 19.822 18.715 17.505 1.00 55.70 C ATOM 28 C GLY A 8 20.596 20.019 17.519 1.00 49.35 C ATOM 29 O GLY A 8 20.150 21.041 16.987 1.00 46.93 O ATOM 30 H GLY A 8 17.862 18.866 16.631 1.00 0.00 H ATOM 31 N PRO A 9 21.777 20.006 18.147 1.00 46.34 N ATOM 32 CA PRO A 9 22.572 21.245 18.229 1.00 43.71 C ATOM 33 C PRO A 9 22.981 21.792 16.874 1.00 41.71 C ATOM 34 O PRO A 9 23.049 23.016 16.702 1.00 39.38 O ATOM 35 CB PRO A 9 23.790 20.819 19.061 1.00 43.51 C ATOM 36 CG PRO A 9 23.321 19.630 19.835 1.00 47.27 C ATOM 37 CD PRO A 9 22.376 18.911 18.926 1.00 48.99 C ATOM 38 N ALA A 10 23.259 20.918 15.904 1.00 39.38 N ATOM 39 CA ALA A 10 23.649 21.382 14.577 1.00 38.77 C ATOM 40 C ALA A 10 22.525 22.175 13.922 1.00 38.93 C ATOM 41 O ALA A 10 22.759 23.233 13.326 1.00 39.37 O ATOM 42 CB ALA A 10 24.054 20.195 13.702 1.00 37.96 C ATOM 43 H ALA A 10 23.197 19.898 16.096 1.00 0.00 H ATOM 44 N ALA A 11 21.289 21.678 14.029 1.00 38.63 N ATOM 45 CA ALA A 11 20.154 22.379 13.438 1.00 39.92 C ATOM 46 C ALA A 11 19.964 23.753 14.065 1.00 39.22 C ATOM 47 O ALA A 11 19.684 24.732 13.362 1.00 34.73 O ATOM 48 CB ALA A 11 18.883 21.545 13.590 1.00 37.92 C ATOM 49 H ALA A 11 21.135 20.784 14.538 1.00 0.00 H ATOM 50 N LEU A 12 20.109 23.845 15.390 1.00 38.60 N ATOM 51 CA LEU A 12 19.970 25.132 16.062 1.00 39.07 C ATOM 52 C LEU A 12 21.058 26.102 15.624 1.00 38.53 C ATOM 53 O LEU A 12 20.793 27.291 15.413 1.00 38.29 O ATOM 54 CB LEU A 12 20.005 24.936 17.578 1.00 41.10 C ATOM 55 CG LEU A 12 18.890 24.080 18.178 1.00 46.82 C ATOM 56 CD1 LEU A 12 19.208 23.739 19.622 1.00 47.50 C ATOM 57 CD2 LEU A 12 17.549 24.791 18.078 1.00 44.72 C ATOM 58 H LEU A 12 20.323 22.993 15.946 1.00 0.00 H ATOM 59 N ARG A 13 22.292 25.611 15.477 1.00 34.62 N ATOM 60 CA ARG A 13 23.391 26.484 15.081 1.00 32.99 C ATOM 61 C ARG A 13 23.272 26.922 13.627 1.00 32.11 C ATOM 62 O ARG A 13 23.736 28.011 13.272 1.00 34.82 O ATOM 63 CB ARG A 13 24.730 25.787 15.325 1.00 31.21 C ATOM 64 CG ARG A 13 25.061 25.601 16.798 1.00 34.38 C ATOM 65 CD ARG A 13 26.484 25.099 16.991 1.00 39.81 C ATOM 66 NE ARG A 13 26.991 25.403 18.326 1.00 38.86 N ATOM 67 CZ ARG A 13 27.238 24.492 19.262 1.00 41.65 C ATOM 68 NH1 ARG A 13 27.033 23.205 19.012 1.00 38.61 N ATOM 69 NH2 ARG A 13 27.697 24.868 20.447 1.00 43.24 N ATOM 70 HE ARG A 13 27.171 26.400 18.561 1.00 0.00 H ATOM 71 HH12 ARG A 13 27.227 22.495 19.747 1.00 0.00 H ATOM 72 HH11 ARG A 13 26.678 22.906 18.081 1.00 0.00 H ATOM 73 HH22 ARG A 13 27.890 24.156 21.180 1.00 0.00 H ATOM 74 HH21 ARG A 13 27.864 25.875 20.644 1.00 0.00 H ATOM 75 H ARG A 13 22.470 24.600 15.646 1.00 0.00 H ATOM 76 N PHE A 14 22.660 26.096 12.774 1.00 29.25 N ATOM 77 CA PHE A 14 22.434 26.502 11.389 1.00 32.43 C ATOM 78 C PHE A 14 21.458 27.669 11.318 1.00 33.17 C ATOM 79 O PHE A 14 21.699 28.653 10.608 1.00 32.17 O ATOM 80 CB PHE A 14 21.913 25.321 10.567 1.00 38.78 C ATOM 81 CG PHE A 14 22.884 24.180 10.452 1.00 41.36 C ATOM 82 CD1 PHE A 14 24.244 24.386 10.614 1.00 43.12 C ATOM 83 CD2 PHE A 14 22.433 22.899 10.176 1.00 42.06 C ATOM 84 CE1 PHE A 14 25.137 23.334 10.507 1.00 45.30 C ATOM 85 CE2 PHE A 14 23.320 21.843 10.068 1.00 40.26 C ATOM 86 CZ PHE A 14 24.673 22.061 10.233 1.00 41.46 C ATOM 87 H PHE A 14 22.343 25.160 13.097 1.00 0.00 H ATOM 88 N ALA A 15 20.345 27.575 12.049 1.00 30.85 N ATOM 89 CA ALA A 15 19.372 28.660 12.054 1.00 28.89 C ATOM 90 C ALA A 15 19.896 29.879 12.800 1.00 29.37 C ATOM 91 O ALA A 15 19.527 31.011 12.469 1.00 31.84 O ATOM 92 CB ALA A 15 18.057 28.181 12.668 1.00 27.05 C ATOM 93 H ALA A 15 20.171 26.722 12.618 1.00 0.00 H ATOM 94 N ALA A 16 20.753 29.673 13.803 1.00 26.30 N ATOM 95 CA ALA A 16 21.342 30.801 14.516 1.00 28.32 C ATOM 96 C ALA A 16 22.333 31.546 13.631 1.00 31.48 C ATOM 97 O ALA A 16 22.333 32.782 13.583 1.00 28.94 O ATOM 98 CB ALA A 16 22.018 30.317 15.799 1.00 27.58 C ATOM 99 H ALA A 16 21.002 28.701 14.078 1.00 0.00 H ATOM 100 N ALA A 17 23.189 30.805 12.921 1.00 31.91 N ATOM 101 CA ALA A 17 24.155 31.436 12.028 1.00 30.08 C ATOM 102 C ALA A 17 23.456 32.171 10.892 1.00 33.93 C ATOM 103 O ALA A 17 23.885 33.260 10.491 1.00 33.36 O ATOM 104 CB ALA A 17 25.120 30.389 11.475 1.00 25.25 C ATOM 105 H ALA A 17 23.166 29.769 13.006 1.00 0.00 H ATOM 106 N ALA A 18 22.380 31.589 10.359 1.00 34.57 N ATOM 107 CA ALA A 18 21.605 32.268 9.327 1.00 35.68 C ATOM 108 C ALA A 18 20.940 33.520 9.883 1.00 34.78 C ATOM 109 O ALA A 18 20.973 34.586 9.258 1.00 36.49 O ATOM 110 CB ALA A 18 20.562 31.316 8.740 1.00 34.19 C ATOM 111 H ALA A 18 22.092 30.643 10.682 1.00 0.00 H ATOM 112 N SER A 19 20.332 33.409 11.068 1.00 33.23 N ATOM 113 CA SER A 19 19.687 34.564 11.684 1.00 32.59 C ATOM 114 C SER A 19 20.701 35.650 12.020 1.00 34.99 C ATOM 115 O SER A 19 20.408 36.845 11.896 1.00 34.45 O ATOM 116 CB SER A 19 18.929 34.134 12.941 1.00 32.19 C ATOM 117 OG SER A 19 17.938 33.166 12.636 1.00 32.03 O ATOM 118 HG SER A 19 18.369 32.369 12.238 1.00 0.00 H ATOM 119 H SER A 19 20.318 32.491 11.556 1.00 0.00 H ATOM 120 N TRP A 20 21.904 35.252 12.443 1.00 36.92 N ATOM 121 CA TRP A 20 22.934 36.225 12.793 1.00 35.45 C ATOM 122 C TRP A 20 23.390 37.012 11.569 1.00 36.29 C ATOM 123 O TRP A 20 23.652 38.217 11.661 1.00 37.11 O ATOM 124 CB TRP A 20 24.108 35.506 13.462 1.00 34.18 C ATOM 125 CG TRP A 20 25.231 36.389 13.933 1.00 36.03 C ATOM 126 CD1 TRP A 20 26.555 36.259 13.626 1.00 38.32 C ATOM 127 CD2 TRP A 20 25.133 37.523 14.806 1.00 34.43 C ATOM 128 NE1 TRP A 20 27.285 37.240 14.249 1.00 39.35 N ATOM 129 CE2 TRP A 20 26.437 38.029 14.979 1.00 36.08 C ATOM 130 CE3 TRP A 20 24.071 38.159 15.457 1.00 34.20 C ATOM 131 CZ2 TRP A 20 26.707 39.145 15.771 1.00 36.46 C ATOM 132 CZ3 TRP A 20 24.341 39.266 16.244 1.00 36.92 C ATOM 133 CH2 TRP A 20 25.649 39.747 16.393 1.00 36.44 C ATOM 134 HE1 TRP A 20 28.315 37.364 14.178 1.00 0.00 H ATOM 135 H TRP A 20 22.109 34.236 12.524 1.00 0.00 H ATOM 136 N GLN A 21 23.475 36.352 10.411 1.00 35.09 N ATOM 137 CA GLN A 21 23.822 37.057 9.181 1.00 33.94 C ATOM 138 C GLN A 21 22.684 37.962 8.722 1.00 35.54 C ATOM 139 O GLN A 21 22.926 39.065 8.218 1.00 35.36 O ATOM 140 CB GLN A 21 24.184 36.054 8.086 1.00 35.14 C ATOM 141 CG GLN A 21 24.443 36.681 6.724 1.00 44.66 C ATOM 142 CD GLN A 21 25.657 37.590 6.720 1.00 58.07 C ATOM 143 OE1 GLN A 21 26.692 37.266 7.304 1.00 62.47 O ATOM 144 NE2 GLN A 21 25.535 38.738 6.063 1.00 62.37 N ATOM 145 HE22 GLN A 21 24.642 38.971 5.584 1.00 0.00 H ATOM 146 HE21 GLN A 21 26.333 39.404 6.028 1.00 0.00 H ATOM 147 H GLN A 21 23.293 35.328 10.386 1.00 0.00 H ATOM 148 N VAL A 22 21.439 37.509 8.888 1.00 35.06 N ATOM 149 CA VAL A 22 20.284 38.297 8.460 1.00 36.26 C ATOM 150 C VAL A 22 20.257 39.640 9.180 1.00 38.81 C ATOM 151 O VAL A 22 20.069 40.695 8.562 1.00 40.82 O ATOM 152 CB VAL A 22 18.983 37.507 8.694 1.00 34.71 C ATOM 153 CG1 VAL A 22 17.777 38.433 8.625 1.00 35.01 C ATOM 154 CG2 VAL A 22 18.850 36.383 7.678 1.00 34.18 C ATOM 155 H VAL A 22 21.288 36.579 9.329 1.00 0.00 H ATOM 156 N VAL A 23 20.455 39.623 10.499 1.00 34.73 N ATOM 157 CA VAL A 23 20.347 40.852 11.278 1.00 38.34 C ATOM 158 C VAL A 23 21.566 41.742 11.064 1.00 42.55 C ATOM 159 O VAL A 23 21.437 42.966 10.934 1.00 41.47 O ATOM 160 CB VAL A 23 20.131 40.518 12.764 1.00 40.31 C ATOM 161 CG1 VAL A 23 20.280 41.767 13.619 1.00 38.98 C ATOM 162 CG2 VAL A 23 18.753 39.900 12.958 1.00 36.56 C ATOM 163 H VAL A 23 20.688 38.728 10.975 1.00 0.00 H ATOM 164 N ARG A 24 22.765 41.152 11.026 1.00 41.46 N ATOM 165 CA ARG A 24 23.964 41.942 10.757 1.00 40.64 C ATOM 166 C ARG A 24 23.872 42.630 9.401 1.00 41.32 C ATOM 167 O ARG A 24 24.171 43.823 9.274 1.00 45.68 O ATOM 168 CB ARG A 24 25.213 41.062 10.829 1.00 37.53 C ATOM 169 CG ARG A 24 25.664 40.730 12.240 1.00 37.37 C ATOM 170 CD ARG A 24 27.032 40.055 12.252 1.00 40.09 C ATOM 171 NE ARG A 24 27.012 38.734 11.629 1.00 43.65 N ATOM 172 CZ ARG A 24 27.481 38.469 10.414 1.00 43.12 C ATOM 173 NH1 ARG A 24 28.015 39.437 9.681 1.00 42.10 N ATOM 174 NH2 ARG A 24 27.418 37.235 9.933 1.00 40.40 N ATOM 175 HE ARG A 24 26.603 37.948 12.173 1.00 0.00 H ATOM 176 HH12 ARG A 24 28.381 39.228 8.730 1.00 0.00 H ATOM 177 HH11 ARG A 24 28.067 40.405 10.057 1.00 0.00 H ATOM 178 HH22 ARG A 24 27.785 37.028 8.982 1.00 0.00 H ATOM 179 HH21 ARG A 24 27.001 36.474 10.507 1.00 0.00 H ATOM 180 H ARG A 24 22.844 40.128 11.188 1.00 0.00 H ATOM 181 N GLY A 25 23.452 41.893 8.376 1.00 41.97 N ATOM 182 CA GLY A 25 23.277 42.447 7.050 1.00 44.45 C ATOM 183 C GLY A 25 22.027 43.270 6.849 1.00 45.52 C ATOM 184 O GLY A 25 21.823 43.800 5.753 1.00 48.43 O ATOM 185 H GLY A 25 23.243 40.886 8.532 1.00 0.00 H ATOM 186 N ARG A 26 21.181 43.387 7.876 1.00 46.13 N ATOM 187 CA ARG A 26 19.953 44.184 7.814 1.00 48.33 C ATOM 188 C ARG A 26 19.019 43.682 6.714 1.00 50.06 C ATOM 189 O ARG A 26 18.400 44.467 5.992 1.00 51.02 O ATOM 190 CB ARG A 26 20.268 45.671 7.625 1.00 50.85 C ATOM 191 CG ARG A 26 21.317 46.226 8.582 1.00 49.40 C ATOM 192 CD ARG A 26 20.809 46.274 10.013 1.00 46.88 C ATOM 193 NE ARG A 26 21.725 46.996 10.895 1.00 48.10 N ATOM 194 CZ ARG A 26 22.544 46.416 11.766 1.00 46.68 C ATOM 195 NH1 ARG A 26 22.567 45.096 11.883 1.00 46.12 N ATOM 196 NH2 ARG A 26 23.339 47.157 12.525 1.00 45.35 N ATOM 197 HE ARG A 26 21.736 48.034 10.837 1.00 0.00 H ATOM 198 HH12 ARG A 26 23.209 44.646 12.566 1.00 0.00 H ATOM 199 HH11 ARG A 26 21.943 44.511 11.292 1.00 0.00 H ATOM 200 HH22 ARG A 26 23.980 46.702 13.206 1.00 0.00 H ATOM 201 HH21 ARG A 26 23.322 48.193 12.439 1.00 0.00 H ATOM 202 H ARG A 26 21.404 42.889 8.761 1.00 0.00 H ATOM 203 N CYS A 27 18.912 42.358 6.587 1.00 51.61 N ATOM 204 CA CYS A 27 18.094 41.734 5.544 1.00 52.81 C ATOM 205 C CYS A 27 16.669 41.581 6.068 1.00 46.33 C ATOM 206 O CYS A 27 16.231 40.504 6.478 1.00 40.91 O ATOM 207 CB CYS A 27 18.692 40.397 5.127 1.00 56.80 C ATOM 208 SG CYS A 27 20.458 40.461 4.740 1.00 64.80 S ATOM 209 H CYS A 27 19.428 41.747 7.252 1.00 0.00 H ATOM 210 N VAL A 28 15.930 42.695 6.032 1.00 45.74 N ATOM 211 CA VAL A 28 14.598 42.748 6.633 1.00 44.55 C ATOM 212 C VAL A 28 13.658 41.731 5.997 1.00 38.57 C ATOM 213 O VAL A 28 12.740 41.228 6.656 1.00 36.21 O ATOM 214 CB VAL A 28 14.033 44.180 6.536 1.00 49.69 C ATOM 215 CG1 VAL A 28 12.690 44.283 7.248 1.00 45.28 C ATOM 216 CG2 VAL A 28 15.023 45.181 7.115 1.00 50.91 C ATOM 217 H VAL A 28 16.311 43.543 5.566 1.00 0.00 H ATOM 218 N GLU A 29 13.872 41.400 4.721 1.00 36.64 N ATOM 219 CA GLU A 29 13.008 40.433 4.053 1.00 41.76 C ATOM 220 C GLU A 29 13.085 39.051 4.689 1.00 41.14 C ATOM 221 O GLU A 29 12.172 38.241 4.494 1.00 41.32 O ATOM 222 CB GLU A 29 13.362 40.340 2.567 1.00 47.94 C ATOM 223 CG GLU A 29 14.785 39.861 2.273 1.00 60.23 C ATOM 224 CD GLU A 29 15.822 40.953 2.414 1.00 69.76 C ATOM 225 OE1 GLU A 29 17.015 40.664 2.203 1.00 75.26 O ATOM 226 OE2 GLU A 29 15.447 42.096 2.730 1.00 67.65 O ATOM 227 H GLU A 29 14.660 41.835 4.200 1.00 0.00 H ATOM 228 N HIS A 30 14.145 38.763 5.444 1.00 38.59 N ATOM 229 CA HIS A 30 14.280 37.501 6.157 1.00 37.37 C ATOM 230 C HIS A 30 14.016 37.631 7.651 1.00 34.02 C ATOM 231 O HIS A 30 14.137 36.637 8.374 1.00 38.56 O ATOM 232 CB HIS A 30 15.675 36.908 5.932 1.00 38.39 C ATOM 233 CG HIS A 30 15.965 36.570 4.503 1.00 45.55 C ATOM 234 ND1 HIS A 30 15.178 35.710 3.768 1.00 51.57 N ATOM 235 CD2 HIS A 30 16.959 36.970 3.676 1.00 48.62 C ATOM 236 CE1 HIS A 30 15.672 35.599 2.548 1.00 53.84 C ATOM 237 NE2 HIS A 30 16.754 36.353 2.466 1.00 51.49 N ATOM 238 H HIS A 30 14.905 39.468 5.527 1.00 0.00 H ATOM 239 N PHE A 31 13.669 38.827 8.129 1.00 32.55 N ATOM 240 CA PHE A 31 13.318 38.985 9.538 1.00 32.41 C ATOM 241 C PHE A 31 12.191 38.063 9.992 1.00 33.48 C ATOM 242 O PHE A 31 12.255 37.584 11.138 1.00 29.88 O ATOM 243 CB PHE A 31 12.958 40.447 9.834 1.00 33.24 C ATOM 244 CG PHE A 31 14.146 41.331 10.093 1.00 35.39 C ATOM 245 CD1 PHE A 31 15.419 40.939 9.718 1.00 36.45 C ATOM 246 CD2 PHE A 31 13.986 42.552 10.728 1.00 36.04 C ATOM 247 CE1 PHE A 31 16.509 41.752 9.960 1.00 36.04 C ATOM 248 CE2 PHE A 31 15.072 43.368 10.975 1.00 35.34 C ATOM 249 CZ PHE A 31 16.335 42.967 10.590 1.00 36.23 C ATOM 250 H PHE A 31 13.648 39.651 7.495 1.00 0.00 H ATOM 251 N PRO A 32 11.145 37.792 9.199 1.00 32.50 N ATOM 252 CA PRO A 32 10.159 36.792 9.639 1.00 35.25 C ATOM 253 C PRO A 32 10.767 35.437 9.952 1.00 36.82 C ATOM 254 O PRO A 32 10.285 34.757 10.864 1.00 38.16 O ATOM 255 CB PRO A 32 9.186 36.718 8.455 1.00 37.60 C ATOM 256 CG PRO A 32 9.253 38.067 7.848 1.00 36.73 C ATOM 257 CD PRO A 32 10.685 38.504 7.989 1.00 34.02 C ATOM 258 N ARG A 33 11.821 35.029 9.238 1.00 35.23 N ATOM 259 CA ARG A 33 12.469 33.755 9.540 1.00 35.32 C ATOM 260 C ARG A 33 13.149 33.789 10.902 1.00 34.38 C ATOM 261 O ARG A 33 13.099 32.805 11.651 1.00 34.29 O ATOM 262 CB ARG A 33 13.483 33.405 8.450 1.00 35.87 C ATOM 263 CG ARG A 33 12.865 33.025 7.117 1.00 37.68 C ATOM 264 CD ARG A 33 11.999 31.782 7.239 1.00 38.15 C ATOM 265 NE ARG A 33 11.534 31.327 5.933 1.00 44.37 N ATOM 266 CZ ARG A 33 10.696 30.314 5.745 1.00 48.29 C ATOM 267 NH1 ARG A 33 10.219 29.640 6.783 1.00 50.15 N ATOM 268 NH2 ARG A 33 10.331 29.976 4.516 1.00 47.96 N ATOM 269 HE ARG A 33 11.882 31.830 5.092 1.00 0.00 H ATOM 270 HH12 ARG A 33 9.563 28.847 6.631 1.00 0.00 H ATOM 271 HH11 ARG A 33 10.501 29.904 7.749 1.00 0.00 H ATOM 272 HH22 ARG A 33 9.675 29.183 4.368 1.00 0.00 H ATOM 273 HH21 ARG A 33 10.701 30.504 3.700 1.00 0.00 H ATOM 274 H ARG A 33 12.182 35.622 8.463 1.00 0.00 H ATOM 275 N VAL A 34 13.798 34.907 11.236 1.00 32.50 N ATOM 276 CA VAL A 34 14.411 35.045 12.555 1.00 31.91 C ATOM 277 C VAL A 34 13.351 34.955 13.645 1.00 32.56 C ATOM 278 O VAL A 34 13.597 34.413 14.729 1.00 33.51 O ATOM 279 CB VAL A 34 15.203 36.364 12.641 1.00 31.87 C ATOM 280 CG1 VAL A 34 15.856 36.512 14.012 1.00 26.37 C ATOM 281 CG2 VAL A 34 16.248 36.429 11.535 1.00 28.49 C ATOM 282 H VAL A 34 13.868 35.687 10.551 1.00 0.00 H ATOM 283 N LEU A 35 12.153 35.476 13.369 1.00 32.93 N ATOM 284 CA LEU A 35 11.076 35.432 14.353 1.00 33.89 C ATOM 285 C LEU A 35 10.628 34.000 14.620 1.00 31.90 C ATOM 286 O LEU A 35 10.427 33.610 15.776 1.00 33.24 O ATOM 287 CB LEU A 35 9.901 36.290 13.883 1.00 35.24 C ATOM 288 CG LEU A 35 10.072 37.796 14.077 1.00 36.75 C ATOM 289 CD1 LEU A 35 8.997 38.568 13.329 1.00 39.73 C ATOM 290 CD2 LEU A 35 10.039 38.134 15.563 1.00 33.60 C ATOM 291 H LEU A 35 11.985 35.918 12.443 1.00 0.00 H ATOM 292 N GLU A 36 10.458 33.200 13.560 1.00 28.84 N ATOM 293 CA GLU A 36 10.080 31.803 13.758 1.00 34.04 C ATOM 294 C GLU A 36 11.144 31.052 14.547 1.00 32.38 C ATOM 295 O GLU A 36 10.818 30.218 15.399 1.00 36.26 O ATOM 296 CB GLU A 36 9.829 31.105 12.418 1.00 42.38 C ATOM 297 CG GLU A 36 9.240 31.974 11.321 1.00 54.37 C ATOM 298 CD GLU A 36 9.215 31.269 9.982 1.00 63.32 C ATOM 299 OE1 GLU A 36 8.614 31.812 9.035 1.00 64.96 O ATOM 300 OE2 GLU A 36 9.791 30.168 9.883 1.00 65.25 O ATOM 301 H GLU A 36 10.595 33.572 12.599 1.00 0.00 H ATOM 302 N PHE A 37 12.421 31.328 14.272 1.00 32.33 N ATOM 303 CA PHE A 37 13.493 30.676 15.017 1.00 31.58 C ATOM 304 C PHE A 37 13.419 31.018 16.499 1.00 34.48 C ATOM 305 O PHE A 37 13.472 30.128 17.356 1.00 38.16 O ATOM 306 CB PHE A 37 14.852 31.073 14.445 1.00 29.30 C ATOM 307 CG PHE A 37 16.013 30.520 15.220 1.00 30.53 C ATOM 308 CD1 PHE A 37 16.137 29.156 15.421 1.00 34.31 C ATOM 309 CD2 PHE A 37 16.977 31.361 15.750 1.00 34.20 C ATOM 310 CE1 PHE A 37 17.200 28.639 16.133 1.00 35.41 C ATOM 311 CE2 PHE A 37 18.045 30.850 16.464 1.00 34.23 C ATOM 312 CZ PHE A 37 18.156 29.486 16.654 1.00 31.99 C ATOM 313 H PHE A 37 12.653 32.011 13.523 1.00 0.00 H ATOM 314 N LEU A 38 13.299 32.309 16.819 1.00 31.54 N ATOM 315 CA LEU A 38 13.213 32.721 18.216 1.00 30.19 C ATOM 316 C LEU A 38 11.952 32.178 18.875 1.00 32.68 C ATOM 317 O LEU A 38 11.964 31.825 20.060 1.00 32.28 O ATOM 318 CB LEU A 38 13.255 34.245 18.317 1.00 32.43 C ATOM 319 CG LEU A 38 14.560 34.910 17.877 1.00 34.53 C ATOM 320 CD1 LEU A 38 14.425 36.422 17.935 1.00 36.23 C ATOM 321 CD2 LEU A 38 15.717 34.438 18.745 1.00 31.47 C ATOM 322 H LEU A 38 13.267 33.026 16.067 1.00 0.00 H ATOM 323 N ARG A 39 10.852 32.102 18.123 1.00 30.61 N ATOM 324 CA ARG A 39 9.621 31.563 18.686 1.00 38.10 C ATOM 325 C ARG A 39 9.748 30.067 18.949 1.00 40.43 C ATOM 326 O ARG A 39 9.202 29.555 19.934 1.00 37.55 O ATOM 327 CB ARG A 39 8.444 31.860 17.756 1.00 45.11 C ATOM 328 CG ARG A 39 7.101 31.924 18.467 1.00 60.29 C ATOM 329 CD ARG A 39 6.050 32.659 17.643 1.00 70.28 C ATOM 330 NE ARG A 39 6.366 32.679 16.217 1.00 75.60 N ATOM 331 CZ ARG A 39 6.406 33.782 15.475 1.00 76.39 C ATOM 332 NH1 ARG A 39 6.142 34.963 16.020 1.00 76.49 N ATOM 333 NH2 ARG A 39 6.703 33.704 14.184 1.00 72.47 N ATOM 334 HE ARG A 39 6.573 31.772 15.752 1.00 0.00 H ATOM 335 HH12 ARG A 39 6.174 35.824 15.437 1.00 0.00 H ATOM 336 HH11 ARG A 39 5.903 35.028 17.030 1.00 0.00 H ATOM 337 HH22 ARG A 39 6.734 34.567 13.604 1.00 0.00 H ATOM 338 HH21 ARG A 39 6.905 32.780 13.752 1.00 0.00 H ATOM 339 H ARG A 39 10.874 32.427 17.135 1.00 0.00 H ATOM 340 N SER A 40 10.471 29.351 18.084 1.00 40.20 N ATOM 341 CA SER A 40 10.735 27.938 18.339 1.00 43.00 C ATOM 342 C SER A 40 11.634 27.758 19.556 1.00 42.75 C ATOM 343 O SER A 40 11.411 26.853 20.368 1.00 40.46 O ATOM 344 CB SER A 40 11.367 27.287 17.108 1.00 42.65 C ATOM 345 OG SER A 40 10.488 27.323 15.998 1.00 45.04 O ATOM 346 HG SER A 40 10.271 28.264 15.781 1.00 0.00 H ATOM 347 H SER A 40 10.847 29.802 17.226 1.00 0.00 H ATOM 348 N LEU A 41 12.654 28.610 19.697 1.00 44.08 N ATOM 349 CA LEU A 41 13.532 28.532 20.861 1.00 45.52 C ATOM 350 C LEU A 41 12.765 28.793 22.151 1.00 46.10 C ATOM 351 O LEU A 41 12.966 28.096 23.153 1.00 49.82 O ATOM 352 CB LEU A 41 14.684 29.527 20.725 1.00 45.06 C ATOM 353 CG LEU A 41 15.850 29.156 19.811 1.00 47.04 C ATOM 354 CD1 LEU A 41 16.935 30.219 19.894 1.00 48.20 C ATOM 355 CD2 LEU A 41 16.404 27.792 20.184 1.00 47.41 C ATOM 356 H LEU A 41 12.824 29.335 18.971 1.00 0.00 H ATOM 357 N ARG A 42 11.885 29.797 22.146 1.00 42.89 N ATOM 358 CA ARG A 42 11.146 30.139 23.356 1.00 44.29 C ATOM 359 C ARG A 42 10.206 29.012 23.766 1.00 49.82 C ATOM 360 O ARG A 42 9.992 28.773 24.960 1.00 52.52 O ATOM 361 CB ARG A 42 10.365 31.435 23.143 1.00 46.61 C ATOM 362 CG ARG A 42 9.795 32.029 24.417 1.00 50.50 C ATOM 363 CD ARG A 42 10.904 32.560 25.308 1.00 53.57 C ATOM 364 NE ARG A 42 10.391 33.071 26.575 1.00 54.98 N ATOM 365 CZ ARG A 42 11.153 33.593 27.531 1.00 53.63 C ATOM 366 NH1 ARG A 42 12.466 33.676 27.363 1.00 51.25 N ATOM 367 NH2 ARG A 42 10.601 34.031 28.655 1.00 53.69 N ATOM 368 HE ARG A 42 9.365 33.024 26.740 1.00 0.00 H ATOM 369 HH12 ARG A 42 13.061 34.085 28.112 1.00 0.00 H ATOM 370 HH11 ARG A 42 12.900 33.333 26.483 1.00 0.00 H ATOM 371 HH22 ARG A 42 11.198 34.439 29.403 1.00 0.00 H ATOM 372 HH21 ARG A 42 9.572 33.966 28.789 1.00 0.00 H ATOM 373 H ARG A 42 11.725 30.339 21.273 1.00 0.00 H ATOM 374 N ALA A 43 9.638 28.305 22.785 1.00 49.64 N ATOM 375 CA ALA A 43 8.680 27.247 23.090 1.00 50.71 C ATOM 376 C ALA A 43 9.333 26.080 23.822 1.00 54.98 C ATOM 377 O ALA A 43 8.697 25.459 24.682 1.00 60.69 O ATOM 378 CB ALA A 43 8.013 26.760 21.804 1.00 47.36 C ATOM 379 H ALA A 43 9.881 28.510 21.795 1.00 0.00 H ATOM 380 N VAL A 44 10.585 25.772 23.507 1.00 55.52 N ATOM 381 CA VAL A 44 11.283 24.644 24.110 1.00 57.38 C ATOM 382 C VAL A 44 12.131 25.075 25.301 1.00 56.24 C ATOM 383 O VAL A 44 12.207 24.360 26.300 1.00 55.51 O ATOM 384 CB VAL A 44 12.134 23.913 23.047 1.00 56.90 C ATOM 385 CG1 VAL A 44 13.062 24.886 22.334 1.00 55.22 C ATOM 386 CG2 VAL A 44 12.927 22.780 23.676 1.00 60.58 C ATOM 387 H VAL A 44 11.085 26.356 22.806 1.00 0.00 H ATOM 388 N ALA A 45 12.760 26.247 25.225 1.00 55.80 N ATOM 389 CA ALA A 45 13.678 26.724 26.260 1.00 54.74 C ATOM 390 C ALA A 45 13.342 28.163 26.624 1.00 53.71 C ATOM 391 O ALA A 45 14.023 29.102 26.188 1.00 51.23 O ATOM 392 CB ALA A 45 15.130 26.606 25.799 1.00 51.95 C ATOM 393 H ALA A 45 12.591 26.849 24.394 1.00 0.00 H ATOM 394 N PRO A 46 12.299 28.377 27.431 1.00 55.46 N ATOM 395 CA PRO A 46 12.001 29.742 27.891 1.00 56.33 C ATOM 396 C PRO A 46 13.062 30.309 28.817 1.00 58.08 C ATOM 397 O PRO A 46 13.118 31.533 28.991 1.00 58.03 O ATOM 398 CB PRO A 46 10.656 29.590 28.617 1.00 61.06 C ATOM 399 CG PRO A 46 10.113 28.258 28.182 1.00 62.81 C ATOM 400 CD PRO A 46 11.308 27.403 27.916 1.00 59.54 C ATOM 401 N GLY A 47 13.902 29.465 29.415 1.00 53.36 N ATOM 402 CA GLY A 47 14.933 29.909 30.327 1.00 52.33 C ATOM 403 C GLY A 47 16.222 30.375 29.691 1.00 50.69 C ATOM 404 O GLY A 47 17.149 30.749 30.416 1.00 52.76 O ATOM 405 H GLY A 47 13.813 28.448 29.218 1.00 0.00 H ATOM 406 N LEU A 48 16.315 30.357 28.358 1.00 42.82 N ATOM 407 CA LEU A 48 17.520 30.844 27.691 1.00 38.95 C ATOM 408 C LEU A 48 17.786 32.303 28.036 1.00 40.62 C ATOM 409 O LEU A 48 18.904 32.672 28.412 1.00 39.52 O ATOM 410 CB LEU A 48 17.393 30.672 26.176 1.00 37.92 C ATOM 411 CG LEU A 48 17.736 29.309 25.576 1.00 43.99 C ATOM 412 CD1 LEU A 48 17.687 29.377 24.054 1.00 41.66 C ATOM 413 CD2 LEU A 48 19.100 28.837 26.055 1.00 41.32 C ATOM 414 H LEU A 48 15.523 29.993 27.791 1.00 0.00 H ATOM 415 N VAL A 49 16.765 33.150 27.905 1.00 36.85 N ATOM 416 CA VAL A 49 16.854 34.569 28.222 1.00 39.87 C ATOM 417 C VAL A 49 15.609 34.962 29.009 1.00 42.18 C ATOM 418 O VAL A 49 14.623 34.225 29.067 1.00 42.16 O ATOM 419 CB VAL A 49 16.987 35.448 26.960 1.00 38.66 C ATOM 420 CG1 VAL A 49 18.213 35.050 26.150 1.00 37.49 C ATOM 421 CG2 VAL A 49 15.727 35.349 26.111 1.00 37.86 C ATOM 422 H VAL A 49 15.858 32.778 27.558 1.00 0.00 H ATOM 423 N ARG A 50 15.667 36.141 29.620 1.00 41.49 N ATOM 424 CA ARG A 50 14.499 36.678 30.296 1.00 44.00 C ATOM 425 C ARG A 50 13.408 37.004 29.280 1.00 37.84 C ATOM 426 O ARG A 50 13.671 37.217 28.092 1.00 31.41 O ATOM 427 CB ARG A 50 14.865 37.931 31.092 1.00 53.31 C ATOM 428 CG ARG A 50 16.158 37.813 31.878 1.00 59.64 C ATOM 429 CD ARG A 50 15.946 37.142 33.224 1.00 70.93 C ATOM 430 NE ARG A 50 17.139 37.243 34.060 1.00 79.16 N ATOM 431 CZ ARG A 50 17.482 38.331 34.742 1.00 85.59 C ATOM 432 NH1 ARG A 50 16.721 39.417 34.691 1.00 88.94 N ATOM 433 NH2 ARG A 50 18.587 38.335 35.476 1.00 86.78 N ATOM 434 HE ARG A 50 17.759 36.411 34.126 1.00 0.00 H ATOM 435 HH12 ARG A 50 16.992 40.267 35.226 1.00 0.00 H ATOM 436 HH11 ARG A 50 15.854 39.418 34.116 1.00 0.00 H ATOM 437 HH22 ARG A 50 18.854 39.187 36.009 1.00 0.00 H ATOM 438 HH21 ARG A 50 19.186 37.486 35.518 1.00 0.00 H ATOM 439 H ARG A 50 16.555 36.683 29.614 1.00 0.00 H ATOM 440 N TYR A 51 12.164 37.037 29.764 1.00 40.63 N ATOM 441 CA TYR A 51 11.042 37.351 28.885 1.00 43.33 C ATOM 442 C TYR A 51 11.194 38.735 28.268 1.00 37.91 C ATOM 443 O TYR A 51 10.939 38.921 27.072 1.00 37.75 O ATOM 444 CB TYR A 51 9.723 37.251 29.652 1.00 51.65 C ATOM 445 CG TYR A 51 8.523 37.650 28.824 1.00 59.51 C ATOM 446 CD1 TYR A 51 8.040 36.818 27.823 1.00 63.73 C ATOM 447 CD2 TYR A 51 7.879 38.863 29.037 1.00 62.59 C ATOM 448 CE1 TYR A 51 6.947 37.178 27.060 1.00 68.10 C ATOM 449 CE2 TYR A 51 6.784 39.233 28.278 1.00 65.41 C ATOM 450 CZ TYR A 51 6.321 38.385 27.294 1.00 70.42 C ATOM 451 OH TYR A 51 5.234 38.747 26.532 1.00 77.27 O ATOM 452 HH TYR A 51 5.037 38.030 25.879 1.00 0.00 H ATOM 453 H TYR A 51 11.994 36.838 30.771 1.00 0.00 H ATOM 454 N ARG A 52 11.611 39.718 29.070 1.00 40.78 N ATOM 455 CA ARG A 52 11.776 41.076 28.563 1.00 43.47 C ATOM 456 C ARG A 52 12.813 41.129 27.447 1.00 39.69 C ATOM 457 O ARG A 52 12.621 41.827 26.445 1.00 35.33 O ATOM 458 CB ARG A 52 12.161 42.012 29.708 1.00 52.86 C ATOM 459 CG ARG A 52 12.447 43.440 29.282 1.00 60.26 C ATOM 460 CD ARG A 52 12.762 44.319 30.482 1.00 70.63 C ATOM 461 NE ARG A 52 13.273 45.624 30.076 1.00 76.38 N ATOM 462 CZ ARG A 52 14.559 45.885 29.870 1.00 77.08 C ATOM 463 NH1 ARG A 52 15.465 44.932 30.035 1.00 73.94 N ATOM 464 NH2 ARG A 52 14.942 47.099 29.501 1.00 79.28 N ATOM 465 HE ARG A 52 12.590 46.396 29.940 1.00 0.00 H ATOM 466 HH12 ARG A 52 16.472 45.138 29.873 1.00 0.00 H ATOM 467 HH11 ARG A 52 15.169 43.978 30.326 1.00 0.00 H ATOM 468 HH22 ARG A 52 15.950 47.300 29.341 1.00 0.00 H ATOM 469 HH21 ARG A 52 14.235 47.851 29.372 1.00 0.00 H ATOM 470 H ARG A 52 11.821 39.513 30.068 1.00 0.00 H ATOM 471 N HIS A 53 13.914 40.389 27.598 1.00 36.80 N ATOM 472 CA HIS A 53 14.923 40.325 26.544 1.00 36.61 C ATOM 473 C HIS A 53 14.337 39.734 25.266 1.00 34.12 C ATOM 474 O HIS A 53 14.528 40.275 24.170 1.00 31.86 O ATOM 475 CB HIS A 53 16.122 39.507 27.033 1.00 44.92 C ATOM 476 CG HIS A 53 17.225 39.362 26.029 1.00 49.14 C ATOM 477 ND1 HIS A 53 18.336 38.579 26.259 1.00 54.84 N ATOM 478 CD2 HIS A 53 17.396 39.900 24.797 1.00 49.97 C ATOM 479 CE1 HIS A 53 19.139 38.637 25.212 1.00 52.72 C ATOM 480 NE2 HIS A 53 18.591 39.430 24.310 1.00 48.46 N ATOM 481 H HIS A 53 14.055 39.851 28.477 1.00 0.00 H ATOM 482 N HIS A 54 13.609 38.624 25.393 1.00 36.07 N ATOM 483 CA HIS A 54 13.046 37.959 24.221 1.00 30.41 C ATOM 484 C HIS A 54 12.044 38.855 23.503 1.00 32.08 C ATOM 485 O HIS A 54 12.057 38.958 22.271 1.00 30.65 O ATOM 486 CB HIS A 54 12.392 36.642 24.643 1.00 36.28 C ATOM 487 CG HIS A 54 11.635 35.960 23.548 1.00 38.28 C ATOM 488 ND1 HIS A 54 12.230 35.089 22.661 1.00 37.76 N ATOM 489 CD2 HIS A 54 10.327 36.015 23.200 1.00 39.25 C ATOM 490 CE1 HIS A 54 11.323 34.639 21.813 1.00 38.82 C ATOM 491 NE2 HIS A 54 10.160 35.186 22.117 1.00 39.14 N ATOM 492 H HIS A 54 13.440 38.227 26.339 1.00 0.00 H ATOM 493 N GLU A 55 11.169 39.522 24.259 1.00 38.40 N ATOM 494 CA GLU A 55 10.113 40.308 23.628 1.00 41.05 C ATOM 495 C GLU A 55 10.635 41.616 23.048 1.00 38.62 C ATOM 496 O GLU A 55 10.114 42.083 22.029 1.00 37.40 O ATOM 497 CB GLU A 55 8.989 40.582 24.624 1.00 47.48 C ATOM 498 CG GLU A 55 7.951 39.481 24.677 1.00 57.57 C ATOM 499 CD GLU A 55 7.251 39.265 23.347 1.00 64.70 C ATOM 500 OE1 GLU A 55 7.073 40.248 22.597 1.00 67.20 O ATOM 501 OE2 GLU A 55 6.876 38.111 23.053 1.00 70.77 O ATOM 502 H GLU A 55 11.240 39.482 25.296 1.00 0.00 H ATOM 503 N ARG A 56 11.640 42.227 23.680 1.00 40.46 N ATOM 504 CA ARG A 56 12.256 43.418 23.102 1.00 37.01 C ATOM 505 C ARG A 56 12.784 43.128 21.703 1.00 35.15 C ATOM 506 O ARG A 56 12.572 43.910 20.769 1.00 35.33 O ATOM 507 CB ARG A 56 13.385 43.918 24.003 1.00 35.11 C ATOM 508 CG ARG A 56 12.934 44.660 25.248 1.00 47.56 C ATOM 509 CD ARG A 56 14.109 44.860 26.193 1.00 52.77 C ATOM 510 NE ARG A 56 15.150 45.689 25.595 1.00 53.68 N ATOM 511 CZ ARG A 56 16.413 45.722 26.010 1.00 54.75 C ATOM 512 NH1 ARG A 56 16.801 44.960 27.024 1.00 54.51 N ATOM 513 NH2 ARG A 56 17.289 46.511 25.404 1.00 55.96 N ATOM 514 HE ARG A 56 14.887 46.294 24.791 1.00 0.00 H ATOM 515 HH12 ARG A 56 17.789 44.988 27.347 1.00 0.00 H ATOM 516 HH11 ARG A 56 16.117 44.335 27.496 1.00 0.00 H ATOM 517 HH22 ARG A 56 18.277 46.537 25.728 1.00 0.00 H ATOM 518 HH21 ARG A 56 16.988 47.104 24.604 1.00 0.00 H ATOM 519 H ARG A 56 11.985 41.853 24.587 1.00 0.00 H ATOM 520 N LEU A 57 13.464 41.993 21.542 1.00 31.70 N ATOM 521 CA LEU A 57 14.038 41.643 20.248 1.00 30.19 C ATOM 522 C LEU A 57 12.951 41.297 19.238 1.00 28.59 C ATOM 523 O LEU A 57 12.990 41.753 18.090 1.00 26.24 O ATOM 524 CB LEU A 57 15.016 40.480 20.416 1.00 30.39 C ATOM 525 CG LEU A 57 15.615 39.862 19.151 1.00 32.62 C ATOM 526 CD1 LEU A 57 16.237 40.932 18.268 1.00 32.29 C ATOM 527 CD2 LEU A 57 16.645 38.810 19.525 1.00 32.16 C ATOM 528 H LEU A 57 13.587 41.349 22.349 1.00 0.00 H ATOM 529 N CYS A 58 11.969 40.491 19.650 1.00 30.30 N ATOM 530 CA CYS A 58 10.932 40.054 18.719 1.00 29.57 C ATOM 531 C CYS A 58 10.102 41.228 18.218 1.00 34.11 C ATOM 532 O CYS A 58 9.723 41.274 17.042 1.00 34.31 O ATOM 533 CB CYS A 58 10.037 39.010 19.385 1.00 32.87 C ATOM 534 SG CYS A 58 10.823 37.400 19.589 1.00 36.59 S ATOM 535 H CYS A 58 11.943 40.173 20.640 1.00 0.00 H HETATM 536 N MSE A 59 9.812 42.186 19.090 1.00 36.88 N HETATM 537 CA MSE A 59 9.031 43.354 18.704 1.00 42.62 C HETATM 538 C MSE A 59 9.831 44.291 17.814 1.00 33.90 C HETATM 539 O MSE A 59 9.280 44.924 16.915 1.00 31.64 O HETATM 540 CB MSE A 59 8.554 44.101 19.938 1.00 55.17 C HETATM 541 CG MSE A 59 7.338 43.499 20.591 1.00 77.83 C HETATM 542 SE MSE A 59 6.542 44.843 21.723 1.00102.25 S HETATM 543 CE MSE A 59 8.139 45.376 22.675 1.00 98.43 C HETATM 544 H MSE A 59 10.150 42.101 20.070 1.00 0.00 H ATOM 545 N GLY A 60 11.134 44.392 18.085 1.00 31.04 N ATOM 546 CA GLY A 60 11.998 45.153 17.200 1.00 34.83 C ATOM 547 C GLY A 60 12.023 44.578 15.796 1.00 34.05 C ATOM 548 O GLY A 60 11.972 45.317 14.810 1.00 31.49 O ATOM 549 H GLY A 60 11.529 43.927 18.927 1.00 0.00 H ATOM 550 N LEU A 61 12.086 43.248 15.692 1.00 34.98 N ATOM 551 CA LEU A 61 12.044 42.601 14.384 1.00 33.15 C ATOM 552 C LEU A 61 10.701 42.824 13.699 1.00 30.56 C ATOM 553 O LEU A 61 10.650 43.102 12.495 1.00 31.55 O ATOM 554 CB LEU A 61 12.330 41.106 14.534 1.00 31.28 C ATOM 555 CG LEU A 61 13.724 40.716 15.033 1.00 33.03 C ATOM 556 CD1 LEU A 61 13.729 39.284 15.546 1.00 29.76 C ATOM 557 CD2 LEU A 61 14.758 40.893 13.930 1.00 32.28 C ATOM 558 H LEU A 61 12.166 42.668 16.551 1.00 0.00 H ATOM 559 N LYS A 62 9.602 42.706 14.450 1.00 28.83 N ATOM 560 CA LYS A 62 8.277 42.909 13.870 1.00 29.90 C ATOM 561 C LYS A 62 8.095 44.346 13.397 1.00 28.83 C ATOM 562 O LYS A 62 7.597 44.588 12.291 1.00 30.29 O ATOM 563 CB LYS A 62 7.192 42.551 14.886 1.00 31.61 C ATOM 564 CG LYS A 62 7.120 41.088 15.276 1.00 33.74 C ATOM 565 CD LYS A 62 6.326 40.932 16.565 1.00 39.50 C ATOM 566 CE LYS A 62 5.767 39.532 16.722 1.00 44.57 C ATOM 567 NZ LYS A 62 4.998 39.406 17.992 1.00 49.45 N ATOM 568 HZ1 LYS A 62 5.625 39.609 18.797 1.00 0.00 H ATOM 569 HZ2 LYS A 62 4.209 40.083 17.987 1.00 0.00 H ATOM 570 HZ3 LYS A 62 4.626 38.439 18.076 1.00 0.00 H ATOM 571 H LYS A 62 9.691 42.467 15.458 1.00 0.00 H ATOM 572 N ALA A 63 8.480 45.314 14.233 1.00 28.25 N ATOM 573 CA ALA A 63 8.322 46.717 13.864 1.00 31.58 C ATOM 574 C ALA A 63 9.110 47.050 12.603 1.00 29.18 C ATOM 575 O ALA A 63 8.611 47.758 11.721 1.00 32.50 O ATOM 576 CB ALA A 63 8.756 47.618 15.022 1.00 28.35 C ATOM 577 H ALA A 63 8.895 45.066 15.154 1.00 0.00 H ATOM 578 N LYS A 64 10.339 46.540 12.498 1.00 28.91 N ATOM 579 CA LYS A 64 11.160 46.826 11.326 1.00 30.30 C ATOM 580 C LYS A 64 10.552 46.227 10.064 1.00 30.93 C ATOM 581 O LYS A 64 10.632 46.825 8.984 1.00 29.44 O ATOM 582 CB LYS A 64 12.581 46.304 11.541 1.00 27.93 C ATOM 583 CG LYS A 64 13.558 46.704 10.451 1.00 30.71 C ATOM 584 CD LYS A 64 13.639 48.216 10.307 1.00 35.95 C ATOM 585 CE LYS A 64 14.673 48.612 9.265 1.00 37.85 C ATOM 586 NZ LYS A 64 14.770 50.092 9.100 1.00 37.35 N ATOM 587 HZ1 LYS A 64 13.848 50.467 8.799 1.00 0.00 H ATOM 588 HZ2 LYS A 64 15.042 50.523 10.006 1.00 0.00 H ATOM 589 HZ3 LYS A 64 15.487 50.313 8.380 1.00 0.00 H ATOM 590 H LYS A 64 10.714 45.935 13.256 1.00 0.00 H ATOM 591 N VAL A 65 9.943 45.043 10.179 1.00 29.19 N ATOM 592 CA VAL A 65 9.239 44.454 9.043 1.00 29.72 C ATOM 593 C VAL A 65 8.141 45.393 8.559 1.00 30.53 C ATOM 594 O VAL A 65 8.022 45.675 7.361 1.00 32.12 O ATOM 595 CB VAL A 65 8.671 43.073 9.418 1.00 32.33 C ATOM 596 CG1 VAL A 65 7.670 42.608 8.366 1.00 32.19 C ATOM 597 CG2 VAL A 65 9.792 42.063 9.560 1.00 28.98 C ATOM 598 H VAL A 65 9.971 44.536 11.087 1.00 0.00 H ATOM 599 N VAL A 66 7.326 45.895 9.490 1.00 29.46 N ATOM 600 CA VAL A 66 6.236 46.795 9.124 1.00 30.11 C ATOM 601 C VAL A 66 6.784 48.112 8.586 1.00 30.38 C ATOM 602 O VAL A 66 6.300 48.632 7.574 1.00 33.29 O ATOM 603 CB VAL A 66 5.305 47.017 10.330 1.00 28.23 C ATOM 604 CG1 VAL A 66 4.247 48.057 10.004 1.00 28.37 C ATOM 605 CG2 VAL A 66 4.659 45.703 10.752 1.00 27.74 C ATOM 606 H VAL A 66 7.469 45.642 10.488 1.00 0.00 H ATOM 607 N VAL A 67 7.802 48.667 9.250 1.00 29.85 N ATOM 608 CA VAL A 67 8.384 49.934 8.808 1.00 32.27 C ATOM 609 C VAL A 67 8.959 49.797 7.403 1.00 31.33 C ATOM 610 O VAL A 67 8.800 50.690 6.561 1.00 29.25 O ATOM 611 CB VAL A 67 9.451 50.410 9.814 1.00 31.41 C ATOM 612 CG1 VAL A 67 10.306 51.514 9.208 1.00 25.07 C ATOM 613 CG2 VAL A 67 8.798 50.889 11.097 1.00 31.29 C ATOM 614 H VAL A 67 8.185 48.192 10.092 1.00 0.00 H ATOM 615 N GLU A 68 9.619 48.670 7.121 1.00 28.72 N ATOM 616 CA GLU A 68 10.215 48.470 5.803 1.00 33.98 C ATOM 617 C GLU A 68 9.151 48.430 4.712 1.00 38.03 C ATOM 618 O GLU A 68 9.335 49.007 3.634 1.00 37.25 O ATOM 619 CB GLU A 68 11.045 47.186 5.793 1.00 40.15 C ATOM 620 CG GLU A 68 11.815 46.940 4.505 1.00 52.89 C ATOM 621 CD GLU A 68 13.114 47.724 4.431 1.00 64.88 C ATOM 622 OE1 GLU A 68 13.358 48.572 5.317 1.00 65.31 O ATOM 623 OE2 GLU A 68 13.897 47.485 3.486 1.00 70.37 O ATOM 624 H GLU A 68 9.709 47.930 7.846 1.00 0.00 H ATOM 625 N LEU A 69 8.028 47.754 4.973 1.00 35.76 N ATOM 626 CA LEU A 69 6.928 47.752 4.013 1.00 33.32 C ATOM 627 C LEU A 69 6.432 49.167 3.747 1.00 31.03 C ATOM 628 O LEU A 69 6.092 49.511 2.609 1.00 31.23 O ATOM 629 CB LEU A 69 5.784 46.877 4.525 1.00 31.86 C ATOM 630 CG LEU A 69 6.059 45.384 4.701 1.00 34.26 C ATOM 631 CD1 LEU A 69 4.889 44.722 5.394 1.00 36.18 C ATOM 632 CD2 LEU A 69 6.324 44.722 3.358 1.00 33.46 C ATOM 633 H LEU A 69 7.937 47.227 5.865 1.00 0.00 H ATOM 634 N ILE A 70 6.381 49.999 4.789 1.00 31.42 N ATOM 635 CA ILE A 70 5.960 51.386 4.621 1.00 32.69 C ATOM 636 C ILE A 70 6.980 52.154 3.791 1.00 31.02 C ATOM 637 O ILE A 70 6.625 52.886 2.860 1.00 32.82 O ATOM 638 CB ILE A 70 5.743 52.046 5.994 1.00 35.79 C ATOM 639 CG1 ILE A 70 4.617 51.344 6.753 1.00 35.75 C ATOM 640 CG2 ILE A 70 5.444 53.530 5.835 1.00 37.46 C ATOM 641 CD1 ILE A 70 4.436 51.838 8.172 1.00 38.26 C ATOM 642 H ILE A 70 6.645 49.654 5.734 1.00 0.00 H ATOM 643 N LEU A 71 8.265 51.994 4.113 1.00 31.62 N ATOM 644 CA LEU A 71 9.303 52.780 3.457 1.00 36.90 C ATOM 645 C LEU A 71 9.554 52.340 2.021 1.00 39.05 C ATOM 646 O LEU A 71 10.059 53.138 1.224 1.00 39.62 O ATOM 647 CB LEU A 71 10.599 52.710 4.265 1.00 40.22 C ATOM 648 CG LEU A 71 10.512 53.341 5.656 1.00 41.82 C ATOM 649 CD1 LEU A 71 11.870 53.344 6.342 1.00 45.75 C ATOM 650 CD2 LEU A 71 9.948 54.751 5.568 1.00 43.12 C ATOM 651 H LEU A 71 8.529 51.300 4.841 1.00 0.00 H ATOM 652 N GLN A 72 9.216 51.101 1.670 1.00 37.74 N ATOM 653 CA GLN A 72 9.344 50.657 0.289 1.00 40.53 C ATOM 654 C GLN A 72 8.129 51.012 -0.560 1.00 38.21 C ATOM 655 O GLN A 72 8.135 50.741 -1.766 1.00 41.01 O ATOM 656 CB GLN A 72 9.595 49.148 0.238 1.00 46.84 C ATOM 657 CG GLN A 72 10.891 48.723 0.917 1.00 56.50 C ATOM 658 CD GLN A 72 11.477 47.454 0.333 1.00 68.50 C ATOM 659 OE1 GLN A 72 11.323 46.368 0.893 1.00 71.91 O ATOM 660 NE2 GLN A 72 12.165 47.586 -0.796 1.00 73.56 N ATOM 661 HE22 GLN A 72 12.270 48.523 -1.235 1.00 0.00 H ATOM 662 HE21 GLN A 72 12.599 46.752 -1.241 1.00 0.00 H ATOM 663 H GLN A 72 8.856 50.443 2.390 1.00 0.00 H ATOM 664 N GLY A 73 7.101 51.614 0.031 1.00 37.09 N ATOM 665 CA GLY A 73 5.949 52.067 -0.723 1.00 35.59 C ATOM 666 C GLY A 73 4.861 51.056 -0.960 1.00 36.79 C ATOM 667 O GLY A 73 4.079 51.227 -1.908 1.00 35.05 O ATOM 668 H GLY A 73 7.124 51.763 1.060 1.00 0.00 H ATOM 669 N ARG A 74 4.794 50.002 -0.148 1.00 37.32 N ATOM 670 CA ARG A 74 3.720 49.033 -0.287 1.00 34.71 C ATOM 671 C ARG A 74 2.372 49.696 -0.033 1.00 32.73 C ATOM 672 O ARG A 74 2.289 50.643 0.760 1.00 33.10 O ATOM 673 CB ARG A 74 3.918 47.863 0.676 1.00 31.13 C ATOM 674 CG ARG A 74 5.223 47.096 0.483 1.00 30.69 C ATOM 675 CD ARG A 74 5.149 46.162 -0.714 1.00 34.67 C ATOM 676 NE ARG A 74 4.323 44.990 -0.443 1.00 41.35 N ATOM 677 CZ ARG A 74 4.798 43.832 0.003 1.00 42.40 C ATOM 678 NH1 ARG A 74 6.098 43.689 0.224 1.00 40.69 N ATOM 679 NH2 ARG A 74 3.976 42.816 0.226 1.00 42.99 N ATOM 680 HE ARG A 74 3.299 45.066 -0.609 1.00 0.00 H ATOM 681 HH12 ARG A 74 6.469 42.783 0.573 1.00 0.00 H ATOM 682 HH11 ARG A 74 6.746 44.483 0.048 1.00 0.00 H ATOM 683 HH22 ARG A 74 4.351 41.911 0.575 1.00 0.00 H ATOM 684 HH21 ARG A 74 2.956 42.924 0.052 1.00 0.00 H ATOM 685 H ARG A 74 5.515 49.872 0.590 1.00 0.00 H ATOM 686 N PRO A 75 1.303 49.252 -0.694 1.00 30.37 N ATOM 687 CA PRO A 75 -0.020 49.817 -0.430 1.00 29.71 C ATOM 688 C PRO A 75 -0.383 49.683 1.044 1.00 34.27 C ATOM 689 O PRO A 75 0.009 48.726 1.720 1.00 36.61 O ATOM 690 CB PRO A 75 -0.957 49.005 -1.321 1.00 30.45 C ATOM 691 CG PRO A 75 -0.066 48.398 -2.365 1.00 32.86 C ATOM 692 CD PRO A 75 1.254 48.167 -1.704 1.00 29.75 C ATOM 693 N TRP A 76 -1.126 50.674 1.538 1.00 34.53 N ATOM 694 CA TRP A 76 -1.466 50.697 2.957 1.00 37.58 C ATOM 695 C TRP A 76 -2.293 49.483 3.359 1.00 37.97 C ATOM 696 O TRP A 76 -2.219 49.034 4.509 1.00 36.01 O ATOM 697 CB TRP A 76 -2.206 51.989 3.309 1.00 39.16 C ATOM 698 CG TRP A 76 -1.286 53.164 3.444 1.00 42.59 C ATOM 699 CD1 TRP A 76 -1.201 54.242 2.612 1.00 41.59 C ATOM 700 CD2 TRP A 76 -0.304 53.369 4.469 1.00 38.75 C ATOM 701 NE1 TRP A 76 -0.234 55.110 3.060 1.00 42.41 N ATOM 702 CE2 TRP A 76 0.332 54.597 4.198 1.00 38.22 C ATOM 703 CE3 TRP A 76 0.097 52.634 5.590 1.00 39.45 C ATOM 704 CZ2 TRP A 76 1.346 55.108 5.007 1.00 40.26 C ATOM 705 CZ3 TRP A 76 1.104 53.144 6.393 1.00 40.72 C ATOM 706 CH2 TRP A 76 1.716 54.369 6.097 1.00 39.50 C ATOM 707 HE1 TRP A 76 0.026 56.010 2.609 1.00 0.00 H ATOM 708 H TRP A 76 -1.464 51.432 0.911 1.00 0.00 H ATOM 709 N ALA A 77 -3.074 48.933 2.426 1.00 34.72 N ATOM 710 CA ALA A 77 -3.824 47.717 2.721 1.00 37.70 C ATOM 711 C ALA A 77 -2.890 46.562 3.063 1.00 37.51 C ATOM 712 O ALA A 77 -3.202 45.737 3.932 1.00 40.00 O ATOM 713 CB ALA A 77 -4.723 47.352 1.538 1.00 35.70 C ATOM 714 H ALA A 77 -3.148 49.373 1.486 1.00 0.00 H ATOM 715 N GLN A 78 -1.736 46.488 2.396 1.00 36.32 N ATOM 716 CA GLN A 78 -0.763 45.447 2.709 1.00 30.93 C ATOM 717 C GLN A 78 0.015 45.771 3.979 1.00 32.34 C ATOM 718 O GLN A 78 0.358 44.864 4.745 1.00 35.42 O ATOM 719 CB GLN A 78 0.192 45.247 1.533 1.00 32.08 C ATOM 720 CG GLN A 78 -0.501 44.820 0.242 1.00 36.63 C ATOM 721 CD GLN A 78 0.475 44.616 -0.903 1.00 36.46 C ATOM 722 OE1 GLN A 78 1.634 44.279 -0.691 1.00 34.11 O ATOM 723 NE2 GLN A 78 0.005 44.811 -2.122 1.00 34.27 N ATOM 724 HE22 GLN A 78 -0.986 45.097 -2.258 1.00 0.00 H ATOM 725 HE21 GLN A 78 0.626 44.679 -2.946 1.00 0.00 H ATOM 726 H GLN A 78 -1.529 47.179 1.647 1.00 0.00 H ATOM 727 N VAL A 79 0.307 47.053 4.210 1.00 29.10 N ATOM 728 CA VAL A 79 0.943 47.461 5.460 1.00 32.24 C ATOM 729 C VAL A 79 0.075 47.066 6.649 1.00 31.97 C ATOM 730 O VAL A 79 0.560 46.501 7.636 1.00 33.87 O ATOM 731 CB VAL A 79 1.223 48.974 5.449 1.00 30.03 C ATOM 732 CG1 VAL A 79 1.628 49.446 6.837 1.00 28.34 C ATOM 733 CG2 VAL A 79 2.304 49.309 4.432 1.00 25.67 C ATOM 734 H VAL A 79 0.079 47.770 3.492 1.00 0.00 H ATOM 735 N LEU A 80 -1.227 47.352 6.566 1.00 29.51 N ATOM 736 CA LEU A 80 -2.117 47.089 7.691 1.00 30.74 C ATOM 737 C LEU A 80 -2.340 45.598 7.907 1.00 31.69 C ATOM 738 O LEU A 80 -2.557 45.168 9.045 1.00 35.66 O ATOM 739 CB LEU A 80 -3.450 47.805 7.482 1.00 35.38 C ATOM 740 CG LEU A 80 -3.363 49.333 7.436 1.00 40.19 C ATOM 741 CD1 LEU A 80 -4.732 49.953 7.188 1.00 42.51 C ATOM 742 CD2 LEU A 80 -2.739 49.875 8.714 1.00 37.98 C ATOM 743 H LEU A 80 -1.609 47.766 5.692 1.00 0.00 H ATOM 744 N LYS A 81 -2.299 44.797 6.839 1.00 34.12 N ATOM 745 CA LYS A 81 -2.420 43.351 7.000 1.00 38.39 C ATOM 746 C LYS A 81 -1.234 42.788 7.774 1.00 32.17 C ATOM 747 O LYS A 81 -1.401 41.966 8.682 1.00 31.03 O ATOM 748 CB LYS A 81 -2.540 42.673 5.635 1.00 41.82 C ATOM 749 CG LYS A 81 -3.926 42.736 5.024 1.00 53.06 C ATOM 750 CD LYS A 81 -3.974 41.980 3.705 1.00 61.44 C ATOM 751 CE LYS A 81 -3.435 40.566 3.862 1.00 65.38 C ATOM 752 NZ LYS A 81 -4.176 39.787 4.893 1.00 70.10 N ATOM 753 HZ1 LYS A 81 -4.095 40.266 5.812 1.00 0.00 H ATOM 754 HZ2 LYS A 81 -5.178 39.721 4.622 1.00 0.00 H ATOM 755 HZ3 LYS A 81 -3.771 38.832 4.962 1.00 0.00 H ATOM 756 H LYS A 81 -2.180 45.205 5.890 1.00 0.00 H ATOM 757 N ALA A 82 -0.022 43.220 7.422 1.00 32.74 N ATOM 758 CA ALA A 82 1.155 42.787 8.166 1.00 33.94 C ATOM 759 C ALA A 82 1.144 43.345 9.583 1.00 33.40 C ATOM 760 O ALA A 82 1.591 42.676 10.523 1.00 31.44 O ATOM 761 CB ALA A 82 2.427 43.214 7.436 1.00 31.68 C ATOM 762 H ALA A 82 0.084 43.867 6.615 1.00 0.00 H ATOM 763 N LEU A 83 0.639 44.572 9.752 1.00 32.63 N ATOM 764 CA LEU A 83 0.553 45.164 11.084 1.00 30.87 C ATOM 765 C LEU A 83 -0.322 44.321 12.003 1.00 36.30 C ATOM 766 O LEU A 83 0.081 43.974 13.120 1.00 39.33 O ATOM 767 CB LEU A 83 0.016 46.593 10.989 1.00 27.67 C ATOM 768 CG LEU A 83 -0.300 47.282 12.314 1.00 34.83 C ATOM 769 CD1 LEU A 83 0.971 47.768 12.985 1.00 33.72 C ATOM 770 CD2 LEU A 83 -1.279 48.435 12.113 1.00 34.90 C ATOM 771 H LEU A 83 0.304 45.109 8.927 1.00 0.00 H ATOM 772 N ASN A 84 -1.527 43.974 11.546 1.00 35.14 N ATOM 773 CA ASN A 84 -2.425 43.169 12.364 1.00 41.85 C ATOM 774 C ASN A 84 -1.949 41.728 12.509 1.00 42.55 C ATOM 775 O ASN A 84 -2.343 41.054 13.466 1.00 47.40 O ATOM 776 CB ASN A 84 -3.839 43.198 11.782 1.00 40.25 C ATOM 777 CG ASN A 84 -4.487 44.565 11.896 1.00 44.18 C ATOM 778 OD1 ASN A 84 -4.927 44.969 12.973 1.00 49.22 O ATOM 779 ND2 ASN A 84 -4.555 45.284 10.781 1.00 45.40 N ATOM 780 HD22 ASN A 84 -4.170 44.904 9.893 1.00 0.00 H ATOM 781 HD21 ASN A 84 -4.993 46.227 10.796 1.00 0.00 H ATOM 782 H ASN A 84 -1.827 44.281 10.599 1.00 0.00 H ATOM 783 N HIS A 85 -1.113 41.242 11.589 1.00 38.48 N ATOM 784 CA HIS A 85 -0.576 39.892 11.725 1.00 39.06 C ATOM 785 C HIS A 85 0.460 39.822 12.841 1.00 37.85 C ATOM 786 O HIS A 85 0.415 38.924 13.688 1.00 38.23 O ATOM 787 CB HIS A 85 0.034 39.428 10.403 1.00 38.59 C ATOM 788 CG HIS A 85 0.783 38.136 10.511 1.00 39.71 C ATOM 789 ND1 HIS A 85 0.151 36.914 10.600 1.00 41.94 N ATOM 790 CD2 HIS A 85 2.111 37.876 10.559 1.00 41.37 C ATOM 791 CE1 HIS A 85 1.057 35.957 10.690 1.00 43.38 C ATOM 792 NE2 HIS A 85 2.255 36.514 10.669 1.00 43.10 N ATOM 793 H HIS A 85 -0.843 41.827 10.773 1.00 0.00 H ATOM 794 N HIS A 86 1.383 40.760 12.848 1.00 37.76 N ATOM 795 CA HIS A 86 2.456 40.759 13.794 1.00 37.75 C ATOM 796 C HIS A 86 2.069 41.378 15.114 1.00 35.43 C ATOM 797 O HIS A 86 2.686 41.126 16.084 1.00 43.39 O ATOM 798 CB HIS A 86 3.654 41.472 13.214 1.00 36.19 C ATOM 799 CG HIS A 86 4.406 40.666 12.213 1.00 34.48 C ATOM 800 ND1 HIS A 86 4.551 41.053 10.906 1.00 34.49 N ATOM 801 CD2 HIS A 86 5.062 39.498 12.329 1.00 32.84 C ATOM 802 CE1 HIS A 86 5.252 40.153 10.258 1.00 32.14 C ATOM 803 NE2 HIS A 86 5.576 39.201 11.100 1.00 34.52 N ATOM 804 H HIS A 86 1.331 41.525 12.145 1.00 0.00 H ATOM 805 N PHE A 87 1.025 42.177 15.126 1.00 41.12 N ATOM 806 CA PHE A 87 0.523 42.805 16.339 1.00 39.22 C ATOM 807 C PHE A 87 -0.983 42.622 16.533 1.00 45.47 C ATOM 808 O PHE A 87 -1.744 43.537 16.398 1.00 47.60 O ATOM 809 CB PHE A 87 0.862 44.294 16.350 1.00 36.64 C ATOM 810 CG PHE A 87 2.318 44.577 16.287 1.00 44.62 C ATOM 811 CD1 PHE A 87 3.084 44.534 17.409 1.00 38.89 C ATOM 812 CD2 PHE A 87 2.916 44.860 15.104 1.00 40.69 C ATOM 813 CE1 PHE A 87 4.413 44.780 17.350 1.00 38.64 C ATOM 814 CE2 PHE A 87 4.249 45.090 15.035 1.00 37.84 C ATOM 815 CZ PHE A 87 5.001 45.054 16.157 1.00 37.57 C ATOM 816 H PHE A 87 0.536 42.369 14.228 1.00 0.00 H ATOM 817 N PRO A 88 -1.404 41.422 16.850 1.00 49.81 N ATOM 818 CA PRO A 88 -2.829 41.114 16.886 1.00 53.37 C ATOM 819 C PRO A 88 -3.474 41.478 18.210 1.00 55.25 C ATOM 820 O PRO A 88 -2.791 41.634 19.193 1.00 47.49 O ATOM 821 CB PRO A 88 -2.837 39.616 16.745 1.00 55.19 C ATOM 822 CG PRO A 88 -1.619 39.202 17.445 1.00 56.19 C ATOM 823 CD PRO A 88 -0.596 40.239 17.145 1.00 50.83 C ATOM 824 N GLU A 89 -4.796 41.571 18.220 1.00 65.10 N ATOM 825 CA GLU A 89 -5.561 41.772 19.450 1.00 71.22 C ATOM 826 C GLU A 89 -5.120 40.972 20.675 1.00 77.43 C ATOM 827 O GLU A 89 -5.024 41.529 21.736 1.00 77.47 O ATOM 828 CB GLU A 89 -7.047 41.610 19.209 1.00 75.62 C ATOM 829 CG GLU A 89 -7.729 42.907 18.816 1.00 78.69 C ATOM 830 CD GLU A 89 -9.243 42.794 18.733 1.00 84.39 C ATOM 831 OE1 GLU A 89 -9.730 41.969 17.951 1.00 85.82 O ATOM 832 OE2 GLU A 89 -9.953 43.534 19.441 1.00 86.97 O ATOM 833 H GLU A 89 -5.309 41.498 17.318 1.00 0.00 H ATOM 834 N SER A 90 -4.835 39.689 20.547 1.00 84.68 N ATOM 835 CA SER A 90 -4.603 38.866 21.726 1.00 89.95 C ATOM 836 C SER A 90 -3.248 38.206 21.644 1.00 92.91 C ATOM 837 O SER A 90 -2.863 37.792 20.577 1.00 95.83 O ATOM 838 CB SER A 90 -5.692 37.791 21.835 1.00 91.57 C ATOM 839 OG SER A 90 -6.951 38.223 21.338 1.00 92.33 O ATOM 840 HG SER A 90 -7.611 37.491 21.434 1.00 0.00 H ATOM 841 H SER A 90 -4.776 39.264 19.600 1.00 0.00 H ATOM 842 N GLY A 91 -2.515 38.081 22.748 1.00 94.47 N ATOM 843 CA GLY A 91 -2.956 38.507 24.057 1.00 99.62 C ATOM 844 C GLY A 91 -2.090 37.936 25.164 1.00103.17 C ATOM 845 O GLY A 91 -1.032 38.475 25.498 1.00102.43 O ATOM 846 H GLY A 91 -1.571 37.652 22.664 1.00 0.00 H TER 847 GLY A 91 ATOM 848 N ARG A 95 5.202 34.791 29.327 1.00 96.61 N ATOM 849 CA ARG A 95 5.090 33.736 30.329 1.00100.56 C ATOM 850 C ARG A 95 6.472 33.270 30.773 1.00104.10 C ATOM 851 O ARG A 95 7.252 32.743 29.980 1.00104.98 O ATOM 852 CB ARG A 95 4.270 32.570 29.782 1.00100.48 C ATOM 853 CG ARG A 95 2.793 32.895 29.635 1.00 98.84 C ATOM 854 CD ARG A 95 2.138 32.033 28.576 1.00 99.85 C ATOM 855 NE ARG A 95 2.816 32.159 27.289 1.00 98.09 N ATOM 856 CZ ARG A 95 2.587 33.137 26.420 1.00 94.09 C ATOM 857 NH1 ARG A 95 1.700 34.080 26.704 1.00 92.96 N ATOM 858 NH2 ARG A 95 3.248 33.177 25.271 1.00 91.27 N ATOM 859 HE ARG A 95 3.522 31.438 27.037 1.00 0.00 H ATOM 860 HH12 ARG A 95 1.520 34.846 26.024 1.00 0.00 H ATOM 861 HH11 ARG A 95 1.184 34.054 27.607 1.00 0.00 H ATOM 862 HH22 ARG A 95 3.066 33.944 24.593 1.00 0.00 H ATOM 863 HH21 ARG A 95 3.948 32.441 25.048 1.00 0.00 H ATOM 864 HN3 ARG A 95 5.718 34.429 28.500 1.00 0.00 H ATOM 865 HN2 ARG A 95 5.717 35.599 29.732 1.00 0.00 H ATOM 866 HN1 ARG A 95 4.250 35.095 29.037 1.00 0.00 H ATOM 867 N ASP A 96 6.754 33.463 32.058 1.00106.51 N ATOM 868 CA ASP A 96 8.085 33.319 32.629 1.00108.29 C ATOM 869 C ASP A 96 7.946 33.413 34.145 1.00110.38 C ATOM 870 O ASP A 96 7.047 34.113 34.631 1.00109.40 O ATOM 871 CB ASP A 96 9.009 34.412 32.078 1.00107.03 C ATOM 872 CG ASP A 96 10.476 34.113 32.284 1.00110.47 C ATOM 873 OD1 ASP A 96 10.917 33.001 31.928 1.00115.12 O ATOM 874 OD2 ASP A 96 11.193 35.001 32.795 1.00108.82 O ATOM 875 H ASP A 96 5.976 33.733 32.694 1.00 0.00 H ATOM 876 N PRO A 97 8.781 32.720 34.927 1.00111.22 N ATOM 877 CA PRO A 97 8.704 32.887 36.390 1.00111.01 C ATOM 878 C PRO A 97 8.860 34.329 36.837 1.00107.45 C ATOM 879 O PRO A 97 8.330 34.707 37.890 1.00106.73 O ATOM 880 CB PRO A 97 9.851 32.003 36.906 1.00113.28 C ATOM 881 CG PRO A 97 10.738 31.772 35.716 1.00111.61 C ATOM 882 CD PRO A 97 9.808 31.738 34.545 1.00110.66 C ATOM 883 N LYS A 98 9.570 35.144 36.062 1.00108.38 N ATOM 884 CA LYS A 98 9.682 36.580 36.270 1.00109.87 C ATOM 885 C LYS A 98 9.168 37.315 35.034 1.00108.89 C ATOM 886 O LYS A 98 9.797 38.248 34.531 1.00109.31 O ATOM 887 CB LYS A 98 11.123 36.963 36.624 1.00111.22 C ATOM 888 CG LYS A 98 11.314 38.387 37.195 1.00112.58 C ATOM 889 CD LYS A 98 11.667 39.427 36.122 1.00112.04 C ATOM 890 CE LYS A 98 11.952 40.824 36.730 1.00114.33 C ATOM 891 NZ LYS A 98 12.673 40.824 38.032 1.00119.60 N ATOM 892 HZ1 LYS A 98 12.111 40.306 38.738 1.00 0.00 H ATOM 893 HZ2 LYS A 98 13.597 40.361 37.915 1.00 0.00 H ATOM 894 HZ3 LYS A 98 12.813 41.804 38.350 1.00 0.00 H ATOM 895 H LYS A 98 10.078 34.728 35.255 1.00 0.00 H ATOM 896 N ALA A 99 8.026 36.852 34.508 1.00106.62 N ATOM 897 CA ALA A 99 7.251 37.574 33.497 1.00100.19 C ATOM 898 C ALA A 99 6.398 38.591 34.244 1.00 94.96 C ATOM 899 O ALA A 99 5.199 38.411 34.479 1.00 97.54 O ATOM 900 CB ALA A 99 6.402 36.625 32.661 1.00100.55 C ATOM 901 H ALA A 99 7.671 35.931 34.835 1.00 0.00 H ATOM 902 N THR A 100 7.057 39.682 34.624 1.00 85.83 N ATOM 903 CA THR A 100 6.536 40.636 35.584 1.00 78.01 C ATOM 904 C THR A 100 5.445 41.497 34.960 1.00 71.78 C ATOM 905 O THR A 100 5.236 41.517 33.744 1.00 64.38 O ATOM 906 CB THR A 100 7.646 41.555 36.090 1.00 71.64 C ATOM 907 OG1 THR A 100 7.752 42.684 35.216 1.00 70.11 O ATOM 908 CG2 THR A 100 8.975 40.853 36.080 1.00 69.21 C ATOM 909 HG1 THR A 100 8.470 43.284 35.539 1.00 0.00 H ATOM 910 H THR A 100 7.995 39.860 34.211 1.00 0.00 H ATOM 911 N LYS A 101 4.794 42.275 35.822 1.00 64.97 N ATOM 912 CA LYS A 101 3.782 43.215 35.373 1.00 62.56 C ATOM 913 C LYS A 101 4.392 44.519 34.866 1.00 63.79 C ATOM 914 O LYS A 101 3.886 45.082 33.893 1.00 64.29 O ATOM 915 CB LYS A 101 2.787 43.460 36.508 1.00 61.82 C ATOM 916 CG LYS A 101 2.126 42.162 36.982 1.00 60.44 C ATOM 917 CD LYS A 101 1.283 42.353 38.229 1.00 66.44 C ATOM 918 CE LYS A 101 0.661 41.034 38.674 1.00 67.51 C ATOM 919 NZ LYS A 101 -0.071 41.162 39.963 1.00 69.68 N ATOM 920 HZ1 LYS A 101 0.588 41.475 40.705 1.00 0.00 H ATOM 921 HZ2 LYS A 101 -0.835 41.860 39.859 1.00 0.00 H ATOM 922 HZ3 LYS A 101 -0.476 40.240 40.223 1.00 0.00 H ATOM 923 H LYS A 101 5.014 42.208 36.836 1.00 0.00 H ATOM 924 N GLN A 102 5.488 45.002 35.463 1.00 65.93 N ATOM 925 CA GLN A 102 6.069 46.253 34.976 1.00 67.73 C ATOM 926 C GLN A 102 6.654 46.075 33.576 1.00 61.04 C ATOM 927 O GLN A 102 6.482 46.937 32.707 1.00 57.97 O ATOM 928 CB GLN A 102 7.121 46.789 35.957 1.00 78.41 C ATOM 929 CG GLN A 102 8.567 46.562 35.532 1.00 85.82 C ATOM 930 CD GLN A 102 9.130 45.258 36.052 1.00 93.26 C ATOM 931 OE1 GLN A 102 8.407 44.429 36.584 1.00 97.98 O ATOM 932 NE2 GLN A 102 10.414 45.051 35.851 1.00 93.49 N ATOM 933 HE22 GLN A 102 10.994 45.784 35.394 1.00 0.00 H ATOM 934 HE21 GLN A 102 10.849 44.155 36.149 1.00 0.00 H ATOM 935 H GLN A 102 5.920 44.495 36.262 1.00 0.00 H ATOM 936 N ASP A 103 7.316 44.940 33.322 1.00 58.38 N ATOM 937 CA ASP A 103 7.841 44.687 31.983 1.00 55.96 C ATOM 938 C ASP A 103 6.712 44.415 31.000 1.00 49.56 C ATOM 939 O ASP A 103 6.759 44.865 29.849 1.00 45.86 O ATOM 940 CB ASP A 103 8.830 43.521 32.009 1.00 60.39 C ATOM 941 CG ASP A 103 10.101 43.855 32.762 1.00 70.30 C ATOM 942 OD1 ASP A 103 10.507 45.039 32.750 1.00 75.16 O ATOM 943 OD2 ASP A 103 10.698 42.937 33.363 1.00 72.33 O ATOM 944 H ASP A 103 7.456 44.239 34.077 1.00 0.00 H ATOM 945 N LEU A 104 5.682 43.691 31.442 1.00 49.42 N ATOM 946 CA LEU A 104 4.531 43.454 30.579 1.00 51.57 C ATOM 947 C LEU A 104 3.811 44.758 30.258 1.00 51.78 C ATOM 948 O LEU A 104 3.362 44.961 29.124 1.00 51.82 O ATOM 949 CB LEU A 104 3.581 42.454 31.235 1.00 54.87 C ATOM 950 CG LEU A 104 2.493 41.854 30.349 1.00 57.10 C ATOM 951 CD1 LEU A 104 3.070 41.508 28.998 1.00 56.30 C ATOM 952 CD2 LEU A 104 1.908 40.618 31.006 1.00 57.34 C ATOM 953 H LEU A 104 5.700 43.295 32.404 1.00 0.00 H ATOM 954 N ARG A 105 3.695 45.654 31.244 1.00 50.69 N ATOM 955 CA ARG A 105 3.106 46.967 30.992 1.00 50.46 C ATOM 956 C ARG A 105 3.843 47.693 29.873 1.00 46.54 C ATOM 957 O ARG A 105 3.222 48.199 28.932 1.00 44.81 O ATOM 958 CB ARG A 105 3.118 47.817 32.264 1.00 57.20 C ATOM 959 CG ARG A 105 2.029 47.489 33.262 1.00 65.15 C ATOM 960 CD ARG A 105 1.809 48.635 34.239 1.00 73.37 C ATOM 961 NE ARG A 105 3.048 49.070 34.878 1.00 75.52 N ATOM 962 CZ ARG A 105 3.529 48.555 36.005 1.00 76.07 C ATOM 963 NH1 ARG A 105 2.877 47.580 36.624 1.00 75.72 N ATOM 964 NH2 ARG A 105 4.664 49.015 36.514 1.00 77.10 N ATOM 965 HE ARG A 105 3.589 49.832 34.422 1.00 0.00 H ATOM 966 HH12 ARG A 105 3.256 47.179 37.506 1.00 0.00 H ATOM 967 HH11 ARG A 105 1.987 47.216 36.228 1.00 0.00 H ATOM 968 HH22 ARG A 105 5.040 48.612 37.396 1.00 0.00 H ATOM 969 HH21 ARG A 105 5.178 49.779 36.031 1.00 0.00 H ATOM 970 H ARG A 105 4.027 45.414 32.200 1.00 0.00 H ATOM 971 N LYS A 106 5.174 47.749 29.963 1.00 45.66 N ATOM 972 CA LYS A 106 5.957 48.476 28.969 1.00 47.63 C ATOM 973 C LYS A 106 5.907 47.789 27.610 1.00 44.96 C ATOM 974 O LYS A 106 5.909 48.459 26.571 1.00 41.95 O ATOM 975 CB LYS A 106 7.401 48.619 29.453 1.00 51.77 C ATOM 976 CG LYS A 106 7.518 49.244 30.834 1.00 59.24 C ATOM 977 CD LYS A 106 8.942 49.185 31.366 1.00 67.79 C ATOM 978 CE LYS A 106 9.765 50.360 30.872 1.00 72.17 C ATOM 979 NZ LYS A 106 11.192 50.259 31.283 1.00 75.98 N ATOM 980 HZ1 LYS A 106 11.252 50.236 32.321 1.00 0.00 H ATOM 981 HZ2 LYS A 106 11.604 49.388 30.891 1.00 0.00 H ATOM 982 HZ3 LYS A 106 11.714 51.083 30.923 1.00 0.00 H ATOM 983 H LYS A 106 5.657 47.270 30.749 1.00 0.00 H ATOM 984 N ILE A 107 5.860 46.456 27.597 1.00 47.02 N ATOM 985 CA ILE A 107 5.791 45.724 26.336 1.00 47.41 C ATOM 986 C ILE A 107 4.446 45.954 25.657 1.00 46.88 C ATOM 987 O ILE A 107 4.381 46.244 24.456 1.00 47.23 O ATOM 988 CB ILE A 107 6.060 44.227 26.571 1.00 47.96 C ATOM 989 CG1 ILE A 107 7.536 44.003 26.902 1.00 50.43 C ATOM 990 CG2 ILE A 107 5.641 43.408 25.359 1.00 43.79 C ATOM 991 CD1 ILE A 107 7.834 42.627 27.448 1.00 54.09 C ATOM 992 H ILE A 107 5.873 45.932 28.495 1.00 0.00 H ATOM 993 N LEU A 108 3.352 45.829 26.415 1.00 42.47 N ATOM 994 CA LEU A 108 2.031 46.084 25.848 1.00 43.42 C ATOM 995 C LEU A 108 1.884 47.540 25.422 1.00 46.16 C ATOM 996 O LEU A 108 1.255 47.837 24.399 1.00 42.26 O ATOM 997 CB LEU A 108 0.945 45.715 26.856 1.00 43.70 C ATOM 998 CG LEU A 108 0.868 44.273 27.349 1.00 45.74 C ATOM 999 CD1 LEU A 108 -0.121 44.160 28.483 1.00 40.38 C ATOM 1000 CD2 LEU A 108 0.499 43.336 26.222 1.00 44.53 C ATOM 1001 H LEU A 108 3.442 45.549 27.413 1.00 0.00 H ATOM 1002 N GLU A 109 2.452 48.465 26.200 1.00 48.41 N ATOM 1003 CA GLU A 109 2.361 49.881 25.861 1.00 44.85 C ATOM 1004 C GLU A 109 3.101 50.188 24.565 1.00 41.64 C ATOM 1005 O GLU A 109 2.609 50.953 23.727 1.00 37.42 O ATOM 1006 CB GLU A 109 2.910 50.721 27.013 1.00 48.00 C ATOM 1007 CG GLU A 109 2.879 52.220 26.786 1.00 54.91 C ATOM 1008 CD GLU A 109 3.217 52.992 28.046 1.00 62.27 C ATOM 1009 OE1 GLU A 109 2.660 52.659 29.113 1.00 69.74 O ATOM 1010 OE2 GLU A 109 4.047 53.921 27.976 1.00 60.54 O ATOM 1011 H GLU A 109 2.965 48.173 27.056 1.00 0.00 H ATOM 1012 N ALA A 110 4.282 49.592 24.377 1.00 40.11 N ATOM 1013 CA ALA A 110 5.047 49.833 23.157 1.00 39.64 C ATOM 1014 C ALA A 110 4.313 49.309 21.928 1.00 38.52 C ATOM 1015 O ALA A 110 4.377 49.915 20.852 1.00 39.64 O ATOM 1016 CB ALA A 110 6.431 49.193 23.269 1.00 35.93 C ATOM 1017 H ALA A 110 4.659 48.952 25.105 1.00 0.00 H ATOM 1018 N GLN A 111 3.610 48.180 22.068 1.00 40.20 N ATOM 1019 CA GLN A 111 2.840 47.644 20.948 1.00 43.33 C ATOM 1020 C GLN A 111 1.723 48.592 20.542 1.00 40.40 C ATOM 1021 O GLN A 111 1.509 48.837 19.349 1.00 39.84 O ATOM 1022 CB GLN A 111 2.253 46.279 21.306 1.00 48.55 C ATOM 1023 CG GLN A 111 3.287 45.222 21.563 1.00 56.40 C ATOM 1024 CD GLN A 111 2.696 43.849 21.783 1.00 64.39 C ATOM 1025 OE1 GLN A 111 3.102 43.123 22.691 1.00 69.50 O ATOM 1026 NE2 GLN A 111 1.737 43.480 20.945 1.00 64.55 N ATOM 1027 HE22 GLN A 111 1.426 44.127 20.193 1.00 0.00 H ATOM 1028 HE21 GLN A 111 1.295 42.543 21.040 1.00 0.00 H ATOM 1029 H GLN A 111 3.611 47.680 22.980 1.00 0.00 H ATOM 1030 N GLU A 112 0.995 49.129 21.521 1.00 38.11 N ATOM 1031 CA GLU A 112 -0.162 49.957 21.206 1.00 42.41 C ATOM 1032 C GLU A 112 0.253 51.268 20.548 1.00 39.15 C ATOM 1033 O GLU A 112 -0.395 51.719 19.597 1.00 41.15 O ATOM 1034 CB GLU A 112 -0.982 50.216 22.470 1.00 50.62 C ATOM 1035 CG GLU A 112 -2.055 51.287 22.321 1.00 61.56 C ATOM 1036 CD GLU A 112 -3.256 50.837 21.496 1.00 68.60 C ATOM 1037 OE1 GLU A 112 -3.159 49.830 20.761 1.00 66.55 O ATOM 1038 OE2 GLU A 112 -4.309 51.503 21.585 1.00 74.98 O ATOM 1039 H GLU A 112 1.254 48.956 22.513 1.00 0.00 H ATOM 1040 N THR A 113 1.333 51.889 21.030 1.00 38.22 N ATOM 1041 CA THR A 113 1.778 53.144 20.431 1.00 37.69 C ATOM 1042 C THR A 113 2.286 52.938 19.009 1.00 34.67 C ATOM 1043 O THR A 113 2.074 53.800 18.149 1.00 34.25 O ATOM 1044 CB THR A 113 2.862 53.798 21.290 1.00 38.74 C ATOM 1045 OG1 THR A 113 4.029 52.968 21.316 1.00 44.10 O ATOM 1046 CG2 THR A 113 2.360 54.006 22.713 1.00 39.27 C ATOM 1047 HG1 THR A 113 4.726 53.397 21.873 1.00 0.00 H ATOM 1048 H THR A 113 1.856 51.479 21.830 1.00 0.00 H ATOM 1049 N PHE A 114 2.948 51.810 18.739 1.00 32.34 N ATOM 1050 CA PHE A 114 3.375 51.524 17.373 1.00 32.81 C ATOM 1051 C PHE A 114 2.180 51.220 16.480 1.00 34.09 C ATOM 1052 O PHE A 114 2.140 51.646 15.319 1.00 31.31 O ATOM 1053 CB PHE A 114 4.365 50.359 17.357 1.00 33.20 C ATOM 1054 CG PHE A 114 4.887 50.029 15.986 1.00 29.91 C ATOM 1055 CD1 PHE A 114 5.889 50.793 15.410 1.00 30.38 C ATOM 1056 CD2 PHE A 114 4.375 48.958 15.273 1.00 34.74 C ATOM 1057 CE1 PHE A 114 6.370 50.495 14.148 1.00 28.53 C ATOM 1058 CE2 PHE A 114 4.852 48.654 14.009 1.00 31.45 C ATOM 1059 CZ PHE A 114 5.850 49.424 13.447 1.00 26.81 C ATOM 1060 H PHE A 114 3.159 51.136 19.502 1.00 0.00 H ATOM 1061 N TYR A 115 1.198 50.484 17.005 1.00 34.30 N ATOM 1062 CA TYR A 115 -0.004 50.184 16.234 1.00 34.79 C ATOM 1063 C TYR A 115 -0.744 51.462 15.861 1.00 37.11 C ATOM 1064 O TYR A 115 -1.126 51.656 14.701 1.00 35.93 O ATOM 1065 CB TYR A 115 -0.914 49.246 17.032 1.00 35.78 C ATOM 1066 CG TYR A 115 -2.087 48.702 16.245 1.00 37.96 C ATOM 1067 CD1 TYR A 115 -3.286 49.401 16.173 1.00 40.25 C ATOM 1068 CD2 TYR A 115 -1.998 47.485 15.582 1.00 41.11 C ATOM 1069 CE1 TYR A 115 -4.360 48.907 15.455 1.00 43.97 C ATOM 1070 CE2 TYR A 115 -3.069 46.981 14.864 1.00 44.27 C ATOM 1071 CZ TYR A 115 -4.246 47.697 14.803 1.00 45.77 C ATOM 1072 OH TYR A 115 -5.313 47.200 14.090 1.00 52.55 O ATOM 1073 HH TYR A 115 -5.582 46.325 14.467 1.00 0.00 H ATOM 1074 H TYR A 115 1.291 50.120 17.975 1.00 0.00 H ATOM 1075 N GLN A 116 -0.954 52.349 16.837 1.00 36.16 N ATOM 1076 CA GLN A 116 -1.659 53.597 16.563 1.00 38.91 C ATOM 1077 C GLN A 116 -0.840 54.506 15.656 1.00 36.55 C ATOM 1078 O GLN A 116 -1.401 55.234 14.830 1.00 40.82 O ATOM 1079 CB GLN A 116 -2.001 54.309 17.873 1.00 42.69 C ATOM 1080 CG GLN A 116 -2.866 53.491 18.824 1.00 52.58 C ATOM 1081 CD GLN A 116 -4.227 53.144 18.244 1.00 57.30 C ATOM 1082 OE1 GLN A 116 -4.730 53.826 17.352 1.00 54.33 O ATOM 1083 NE2 GLN A 116 -4.830 52.076 18.755 1.00 61.33 N ATOM 1084 HE22 GLN A 116 -4.367 51.528 19.509 1.00 0.00 H ATOM 1085 HE21 GLN A 116 -5.765 51.788 18.401 1.00 0.00 H ATOM 1086 H GLN A 116 -0.613 52.149 17.799 1.00 0.00 H ATOM 1087 N GLN A 117 0.488 54.480 15.799 1.00 33.25 N ATOM 1088 CA GLN A 117 1.347 55.279 14.930 1.00 34.29 C ATOM 1089 C GLN A 117 1.176 54.875 13.471 1.00 35.80 C ATOM 1090 O GLN A 117 1.044 55.731 12.588 1.00 38.60 O ATOM 1091 CB GLN A 117 2.807 55.129 15.362 1.00 34.55 C ATOM 1092 CG GLN A 117 3.797 55.904 14.512 1.00 36.33 C ATOM 1093 CD GLN A 117 5.236 55.649 14.922 1.00 38.41 C ATOM 1094 OE1 GLN A 117 5.556 54.600 15.484 1.00 37.11 O ATOM 1095 NE2 GLN A 117 6.110 56.609 14.645 1.00 36.59 N ATOM 1096 HE22 GLN A 117 5.794 57.478 14.169 1.00 0.00 H ATOM 1097 HE21 GLN A 117 7.110 56.492 14.904 1.00 0.00 H ATOM 1098 H GLN A 117 0.914 53.884 16.537 1.00 0.00 H ATOM 1099 N VAL A 118 1.168 53.568 13.200 1.00 32.79 N ATOM 1100 CA VAL A 118 1.019 53.091 11.828 1.00 31.91 C ATOM 1101 C VAL A 118 -0.388 53.366 11.313 1.00 33.14 C ATOM 1102 O VAL A 118 -0.572 53.759 10.154 1.00 36.67 O ATOM 1103 CB VAL A 118 1.375 51.595 11.747 1.00 33.08 C ATOM 1104 CG1 VAL A 118 1.088 51.050 10.355 1.00 29.29 C ATOM 1105 CG2 VAL A 118 2.835 51.382 12.114 1.00 32.54 C ATOM 1106 H VAL A 118 1.269 52.882 13.975 1.00 0.00 H ATOM 1107 N LYS A 119 -1.402 53.168 12.161 1.00 29.60 N ATOM 1108 CA LYS A 119 -2.777 53.453 11.756 1.00 37.94 C ATOM 1109 C LYS A 119 -2.953 54.919 11.379 1.00 38.04 C ATOM 1110 O LYS A 119 -3.599 55.236 10.373 1.00 36.48 O ATOM 1111 CB LYS A 119 -3.745 53.072 12.877 1.00 42.32 C ATOM 1112 CG LYS A 119 -3.909 51.575 13.088 1.00 49.23 C ATOM 1113 CD LYS A 119 -4.961 50.989 12.160 1.00 56.09 C ATOM 1114 CE LYS A 119 -6.362 51.408 12.582 1.00 64.00 C ATOM 1115 NZ LYS A 119 -7.373 50.350 12.296 1.00 67.87 N ATOM 1116 HZ1 LYS A 119 -7.387 50.152 11.275 1.00 0.00 H ATOM 1117 HZ2 LYS A 119 -7.123 49.484 12.815 1.00 0.00 H ATOM 1118 HZ3 LYS A 119 -8.312 50.678 12.599 1.00 0.00 H ATOM 1119 H LYS A 119 -1.211 52.808 13.118 1.00 0.00 H ATOM 1120 N GLN A 120 -2.386 55.829 12.177 1.00 38.84 N ATOM 1121 CA GLN A 120 -2.490 57.251 11.864 1.00 43.53 C ATOM 1122 C GLN A 120 -1.746 57.600 10.582 1.00 37.95 C ATOM 1123 O GLN A 120 -2.184 58.483 9.836 1.00 38.75 O ATOM 1124 CB GLN A 120 -1.964 58.088 13.030 1.00 49.71 C ATOM 1125 CG GLN A 120 -2.807 57.991 14.292 1.00 62.34 C ATOM 1126 CD GLN A 120 -2.158 58.669 15.484 1.00 69.69 C ATOM 1127 OE1 GLN A 120 -1.276 59.514 15.329 1.00 72.80 O ATOM 1128 NE2 GLN A 120 -2.593 58.298 16.684 1.00 71.13 N ATOM 1129 HE22 GLN A 120 -3.341 57.580 16.767 1.00 0.00 H ATOM 1130 HE21 GLN A 120 -2.186 58.726 17.540 1.00 0.00 H ATOM 1131 H GLN A 120 -1.868 55.522 13.025 1.00 0.00 H ATOM 1132 N LEU A 121 -0.625 56.927 10.308 1.00 34.53 N ATOM 1133 CA LEU A 121 0.078 57.153 9.049 1.00 31.97 C ATOM 1134 C LEU A 121 -0.749 56.672 7.864 1.00 34.95 C ATOM 1135 O LEU A 121 -0.728 57.291 6.793 1.00 34.42 O ATOM 1136 CB LEU A 121 1.438 56.455 9.068 1.00 32.68 C ATOM 1137 CG LEU A 121 2.492 56.983 10.045 1.00 37.30 C ATOM 1138 CD1 LEU A 121 3.733 56.107 10.025 1.00 39.37 C ATOM 1139 CD2 LEU A 121 2.845 58.417 9.716 1.00 40.93 C ATOM 1140 H LEU A 121 -0.252 56.240 10.994 1.00 0.00 H ATOM 1141 N SER A 122 -1.490 55.574 8.039 1.00 34.77 N ATOM 1142 CA SER A 122 -2.288 55.013 6.956 1.00 36.66 C ATOM 1143 C SER A 122 -3.458 55.902 6.558 1.00 37.25 C ATOM 1144 O SER A 122 -4.037 55.691 5.488 1.00 37.58 O ATOM 1145 CB SER A 122 -2.812 53.630 7.349 1.00 38.85 C ATOM 1146 OG SER A 122 -3.817 53.728 8.343 1.00 43.32 O ATOM 1147 HG SER A 122 -3.442 54.165 9.148 1.00 0.00 H ATOM 1148 H SER A 122 -1.498 55.109 8.969 1.00 0.00 H ATOM 1149 N GLU A 123 -3.823 56.875 7.388 1.00 36.36 N ATOM 1150 CA GLU A 123 -4.908 57.793 7.079 1.00 43.44 C ATOM 1151 C GLU A 123 -4.436 59.008 6.293 1.00 41.45 C ATOM 1152 O GLU A 123 -5.210 59.952 6.107 1.00 46.31 O ATOM 1153 CB GLU A 123 -5.605 58.231 8.369 1.00 51.52 C ATOM 1154 CG GLU A 123 -6.372 57.104 9.044 1.00 62.41 C ATOM 1155 CD GLU A 123 -6.718 57.404 10.490 1.00 73.26 C ATOM 1156 OE1 GLU A 123 -6.502 58.553 10.933 1.00 78.43 O ATOM 1157 OE2 GLU A 123 -7.208 56.487 11.183 1.00 74.57 O ATOM 1158 H GLU A 123 -3.315 56.983 8.289 1.00 0.00 H ATOM 1159 N ALA A 124 -3.187 58.997 5.828 1.00 40.59 N ATOM 1160 CA ALA A 124 -2.585 60.043 5.010 1.00 41.35 C ATOM 1161 C ALA A 124 -2.765 61.424 5.629 1.00 40.74 C ATOM 1162 O ALA A 124 -3.474 62.264 5.062 1.00 45.30 O ATOM 1163 CB ALA A 124 -3.173 60.023 3.597 1.00 38.67 C ATOM 1164 H ALA A 124 -2.594 58.177 6.068 1.00 0.00 H ATOM 1165 N PRO A 125 -2.149 61.703 6.776 1.00 39.52 N ATOM 1166 CA PRO A 125 -2.220 63.057 7.331 1.00 38.10 C ATOM 1167 C PRO A 125 -1.474 64.038 6.440 1.00 38.32 C ATOM 1168 O PRO A 125 -0.663 63.660 5.592 1.00 34.49 O ATOM 1169 CB PRO A 125 -1.549 62.921 8.701 1.00 38.73 C ATOM 1170 CG PRO A 125 -0.609 61.773 8.534 1.00 38.84 C ATOM 1171 CD PRO A 125 -1.288 60.820 7.586 1.00 39.03 C ATOM 1172 N VAL A 126 -1.767 65.325 6.646 1.00 39.18 N ATOM 1173 CA VAL A 126 -1.216 66.357 5.772 1.00 39.16 C ATOM 1174 C VAL A 126 0.307 66.396 5.852 1.00 40.93 C ATOM 1175 O VAL A 126 0.979 66.727 4.868 1.00 39.98 O ATOM 1176 CB VAL A 126 -1.846 67.727 6.108 1.00 40.57 C ATOM 1177 CG1 VAL A 126 -1.375 68.233 7.466 1.00 33.63 C ATOM 1178 CG2 VAL A 126 -1.539 68.734 5.017 1.00 36.92 C ATOM 1179 H VAL A 126 -2.391 65.594 7.433 1.00 0.00 H ATOM 1180 N ASP A 127 0.878 66.037 7.005 1.00 35.69 N ATOM 1181 CA ASP A 127 2.322 66.033 7.206 1.00 34.33 C ATOM 1182 C ASP A 127 2.913 64.629 7.121 1.00 35.26 C ATOM 1183 O ASP A 127 3.855 64.307 7.854 1.00 39.70 O ATOM 1184 CB ASP A 127 2.671 66.677 8.549 1.00 39.09 C ATOM 1185 CG ASP A 127 2.080 65.927 9.729 1.00 43.63 C ATOM 1186 OD1 ASP A 127 1.102 65.179 9.531 1.00 42.09 O ATOM 1187 OD2 ASP A 127 2.593 66.091 10.856 1.00 50.29 O ATOM 1188 H ASP A 127 0.265 65.748 7.794 1.00 0.00 H ATOM 1189 N LEU A 128 2.379 63.789 6.229 1.00 30.93 N ATOM 1190 CA LEU A 128 2.804 62.394 6.165 1.00 31.06 C ATOM 1191 C LEU A 128 4.283 62.270 5.814 1.00 34.37 C ATOM 1192 O LEU A 128 4.989 61.420 6.370 1.00 35.03 O ATOM 1193 CB LEU A 128 1.945 61.636 5.151 1.00 25.71 C ATOM 1194 CG LEU A 128 2.362 60.201 4.819 1.00 27.90 C ATOM 1195 CD1 LEU A 128 2.310 59.316 6.056 1.00 29.65 C ATOM 1196 CD2 LEU A 128 1.486 59.632 3.713 1.00 27.28 C ATOM 1197 H LEU A 128 1.651 64.134 5.572 1.00 0.00 H ATOM 1198 N ALA A 129 4.772 63.112 4.900 1.00 31.90 N ATOM 1199 CA ALA A 129 6.166 63.014 4.477 1.00 35.53 C ATOM 1200 C ALA A 129 7.119 63.292 5.633 1.00 37.00 C ATOM 1201 O ALA A 129 8.136 62.604 5.787 1.00 37.26 O ATOM 1202 CB ALA A 129 6.435 63.975 3.321 1.00 37.54 C ATOM 1203 H ALA A 129 4.156 63.842 4.487 1.00 0.00 H ATOM 1204 N SER A 130 6.812 64.300 6.453 1.00 33.91 N ATOM 1205 CA SER A 130 7.640 64.577 7.622 1.00 38.78 C ATOM 1206 C SER A 130 7.622 63.407 8.596 1.00 37.84 C ATOM 1207 O SER A 130 8.654 63.058 9.181 1.00 41.51 O ATOM 1208 CB SER A 130 7.164 65.855 8.314 1.00 46.26 C ATOM 1209 OG SER A 130 7.181 66.957 7.423 1.00 58.06 O ATOM 1210 HG SER A 130 6.582 66.770 6.657 1.00 0.00 H ATOM 1211 H SER A 130 5.979 64.891 6.258 1.00 0.00 H ATOM 1212 N LYS A 131 6.456 62.784 8.776 1.00 35.33 N ATOM 1213 CA LYS A 131 6.344 61.670 9.710 1.00 37.46 C ATOM 1214 C LYS A 131 7.084 60.434 9.216 1.00 35.10 C ATOM 1215 O LYS A 131 7.572 59.642 10.030 1.00 36.89 O ATOM 1216 CB LYS A 131 4.872 61.346 9.958 1.00 37.30 C ATOM 1217 CG LYS A 131 4.222 62.221 11.015 1.00 44.33 C ATOM 1218 CD LYS A 131 2.707 62.163 10.939 1.00 47.92 C ATOM 1219 CE LYS A 131 2.085 62.670 12.229 1.00 54.04 C ATOM 1220 NZ LYS A 131 2.823 63.846 12.766 1.00 56.31 N ATOM 1221 HZ1 LYS A 131 3.809 63.576 12.959 1.00 0.00 H ATOM 1222 HZ2 LYS A 131 2.803 64.615 12.066 1.00 0.00 H ATOM 1223 HZ3 LYS A 131 2.371 64.165 13.646 1.00 0.00 H ATOM 1224 H LYS A 131 5.618 63.096 8.245 1.00 0.00 H ATOM 1225 N LEU A 132 7.179 60.248 7.898 1.00 33.32 N ATOM 1226 CA LEU A 132 7.895 59.088 7.377 1.00 33.04 C ATOM 1227 C LEU A 132 9.398 59.233 7.572 1.00 36.01 C ATOM 1228 O LEU A 132 10.091 58.247 7.849 1.00 39.61 O ATOM 1229 CB LEU A 132 7.557 58.877 5.902 1.00 28.95 C ATOM 1230 CG LEU A 132 6.120 58.427 5.633 1.00 33.76 C ATOM 1231 CD1 LEU A 132 5.880 58.242 4.142 1.00 33.75 C ATOM 1232 CD2 LEU A 132 5.813 57.144 6.394 1.00 34.79 C ATOM 1233 H LEU A 132 6.744 60.929 7.243 1.00 0.00 H ATOM 1234 N GLN A 133 9.924 60.453 7.433 1.00 36.20 N ATOM 1235 CA GLN A 133 11.338 60.666 7.716 1.00 43.29 C ATOM 1236 C GLN A 133 11.639 60.500 9.199 1.00 38.05 C ATOM 1237 O GLN A 133 12.720 60.022 9.559 1.00 39.34 O ATOM 1238 CB GLN A 133 11.778 62.044 7.221 1.00 53.90 C ATOM 1239 CG GLN A 133 12.216 62.051 5.763 1.00 69.02 C ATOM 1240 CD GLN A 133 12.488 63.447 5.230 1.00 81.03 C ATOM 1241 OE1 GLN A 133 12.525 64.418 5.985 1.00 87.41 O ATOM 1242 NE2 GLN A 133 12.684 63.551 3.919 1.00 80.15 N ATOM 1243 HE22 GLN A 133 12.644 62.703 3.318 1.00 0.00 H ATOM 1244 HE21 GLN A 133 12.878 64.480 3.494 1.00 0.00 H ATOM 1245 H GLN A 133 9.328 61.247 7.124 1.00 0.00 H ATOM 1246 N GLU A 134 10.701 60.878 10.072 1.00 36.70 N ATOM 1247 CA GLU A 134 10.871 60.602 11.495 1.00 43.35 C ATOM 1248 C GLU A 134 10.829 59.105 11.768 1.00 40.10 C ATOM 1249 O GLU A 134 11.633 58.587 12.552 1.00 40.00 O ATOM 1250 CB GLU A 134 9.796 61.319 12.311 1.00 49.55 C ATOM 1251 CG GLU A 134 9.799 62.830 12.179 1.00 60.76 C ATOM 1252 CD GLU A 134 8.978 63.504 13.261 1.00 71.66 C ATOM 1253 OE1 GLU A 134 9.578 64.022 14.227 1.00 80.89 O ATOM 1254 OE2 GLU A 134 7.733 63.506 13.153 1.00 71.03 O ATOM 1255 H GLU A 134 9.848 61.370 9.737 1.00 0.00 H ATOM 1256 N LEU A 135 9.897 58.394 11.128 1.00 37.15 N ATOM 1257 CA LEU A 135 9.806 56.949 11.307 1.00 40.12 C ATOM 1258 C LEU A 135 11.076 56.256 10.832 1.00 40.12 C ATOM 1259 O LEU A 135 11.553 55.311 11.472 1.00 41.26 O ATOM 1260 CB LEU A 135 8.588 56.406 10.561 1.00 37.78 C ATOM 1261 CG LEU A 135 8.249 54.928 10.775 1.00 35.28 C ATOM 1262 CD1 LEU A 135 7.741 54.694 12.189 1.00 32.62 C ATOM 1263 CD2 LEU A 135 7.234 54.447 9.744 1.00 36.23 C ATOM 1264 H LEU A 135 9.228 58.876 10.494 1.00 0.00 H ATOM 1265 N GLU A 136 11.641 56.745 9.762 1.00 35.33 N ATOM 1266 CA GLU A 136 12.838 56.160 9.246 1.00 37.08 C ATOM 1267 C GLU A 136 14.041 56.343 10.163 1.00 37.88 C ATOM 1268 O GLU A 136 14.850 55.469 10.272 1.00 41.02 O ATOM 1269 CB GLU A 136 13.130 56.713 7.873 1.00 40.18 C ATOM 1270 CG GLU A 136 14.304 56.057 7.206 1.00 49.94 C ATOM 1271 CD GLU A 136 14.641 56.675 5.887 1.00 58.96 C ATOM 1272 OE1 GLU A 136 14.233 57.798 5.632 1.00 61.96 O ATOM 1273 OE2 GLU A 136 15.323 56.033 5.103 1.00 67.40 O ATOM 1274 H GLU A 136 11.218 57.565 9.282 1.00 0.00 H ATOM 1275 N GLN A 137 14.134 57.482 10.818 1.00 34.62 N ATOM 1276 CA GLN A 137 15.142 57.727 11.814 1.00 36.21 C ATOM 1277 C GLN A 137 14.900 56.935 13.075 1.00 36.77 C ATOM 1278 O GLN A 137 15.806 56.424 13.665 1.00 41.29 O ATOM 1279 CB GLN A 137 15.150 59.199 12.189 1.00 30.00 C ATOM 1280 CG GLN A 137 15.975 60.084 11.293 1.00 30.00 C ATOM 1281 CD GLN A 137 16.151 61.484 11.861 1.00 30.00 C ATOM 1282 OE1 GLN A 137 16.610 61.653 12.987 1.00 30.00 O ATOM 1283 NE2 GLN A 137 15.787 62.495 11.080 1.00 30.00 N ATOM 1284 HE22 GLN A 137 15.402 62.308 10.132 1.00 0.00 H ATOM 1285 HE21 GLN A 137 15.887 63.474 11.416 1.00 0.00 H ATOM 1286 H GLN A 137 13.450 58.236 10.606 1.00 0.00 H ATOM 1287 N GLU A 138 13.654 56.858 13.488 1.00 34.92 N ATOM 1288 CA GLU A 138 13.256 56.210 14.706 1.00 35.62 C ATOM 1289 C GLU A 138 13.567 54.728 14.682 1.00 37.46 C ATOM 1290 O GLU A 138 13.917 54.174 15.668 1.00 39.31 O ATOM 1291 CB GLU A 138 11.778 56.447 14.946 1.00 35.31 C ATOM 1292 CG GLU A 138 11.295 56.056 16.312 1.00 40.71 C ATOM 1293 CD GLU A 138 9.802 56.160 16.484 1.00 41.29 C ATOM 1294 OE1 GLU A 138 9.098 56.456 15.535 1.00 38.30 O ATOM 1295 OE2 GLU A 138 9.337 55.952 17.587 1.00 44.04 O ATOM 1296 H GLU A 138 12.915 57.291 12.899 1.00 0.00 H ATOM 1297 N TYR A 139 13.425 54.097 13.538 1.00 36.81 N ATOM 1298 CA TYR A 139 13.772 52.720 13.376 1.00 40.29 C ATOM 1299 C TYR A 139 14.954 52.515 12.440 1.00 38.31 C ATOM 1300 O TYR A 139 15.002 51.552 11.733 1.00 42.02 O ATOM 1301 CB TYR A 139 12.532 51.936 12.959 1.00 32.20 C ATOM 1302 CG TYR A 139 11.511 51.929 14.047 1.00 38.38 C ATOM 1303 CD1 TYR A 139 11.539 50.975 15.030 1.00 35.90 C ATOM 1304 CD2 TYR A 139 10.567 52.918 14.149 1.00 34.54 C ATOM 1305 CE1 TYR A 139 10.632 50.977 16.054 1.00 38.22 C ATOM 1306 CE2 TYR A 139 9.665 52.932 15.180 1.00 37.58 C ATOM 1307 CZ TYR A 139 9.703 51.957 16.129 1.00 39.40 C ATOM 1308 OH TYR A 139 8.832 51.956 17.142 1.00 38.37 O ATOM 1309 HH TYR A 139 8.932 52.792 17.662 1.00 0.00 H ATOM 1310 H TYR A 139 13.047 54.618 12.721 1.00 0.00 H ATOM 1311 N GLY A 140 15.916 53.422 12.478 1.00 36.45 N ATOM 1312 CA GLY A 140 17.134 53.306 11.700 1.00 35.87 C ATOM 1313 C GLY A 140 18.330 52.700 12.415 1.00 41.49 C ATOM 1314 O GLY A 140 18.153 51.853 13.233 1.00 39.49 O ATOM 1315 H GLY A 140 15.794 54.253 13.091 1.00 0.00 H ATOM 1316 N GLU A 141 19.535 53.172 12.099 1.00 45.81 N ATOM 1317 CA GLU A 141 20.821 52.553 12.457 1.00 46.04 C ATOM 1318 C GLU A 141 21.053 52.262 13.925 1.00 45.37 C ATOM 1319 O GLU A 141 21.552 51.236 14.277 1.00 48.23 O ATOM 1320 CB GLU A 141 21.988 53.425 12.017 1.00 30.00 C ATOM 1321 CG GLU A 141 22.210 53.598 10.530 1.00 30.00 C ATOM 1322 CD GLU A 141 22.526 55.056 10.108 1.00 30.00 C ATOM 1323 OE1 GLU A 141 23.560 55.635 10.538 1.00 30.00 O ATOM 1324 OE2 GLU A 141 21.745 55.627 9.317 1.00 30.00 O ATOM 1325 H GLU A 141 19.570 54.055 11.551 1.00 0.00 H ATOM 1326 N PRO A 142 20.766 53.216 14.771 1.00 44.97 N ATOM 1327 CA PRO A 142 20.919 53.022 16.205 1.00 43.17 C ATOM 1328 C PRO A 142 19.914 52.028 16.746 1.00 42.24 C ATOM 1329 O PRO A 142 20.247 51.261 17.604 1.00 40.08 O ATOM 1330 CB PRO A 142 20.638 54.401 16.773 1.00 46.26 C ATOM 1331 CG PRO A 142 20.963 55.324 15.683 1.00 47.50 C ATOM 1332 CD PRO A 142 20.645 54.628 14.414 1.00 45.21 C ATOM 1333 N PHE A 143 18.694 52.063 16.246 1.00 41.18 N ATOM 1334 CA PHE A 143 17.732 51.037 16.632 1.00 38.31 C ATOM 1335 C PHE A 143 18.184 49.657 16.171 1.00 34.58 C ATOM 1336 O PHE A 143 18.027 48.669 16.896 1.00 35.77 O ATOM 1337 CB PHE A 143 16.357 51.382 16.055 1.00 36.50 C ATOM 1338 CG PHE A 143 15.383 50.237 16.062 1.00 35.13 C ATOM 1339 CD1 PHE A 143 14.646 49.943 17.197 1.00 31.79 C ATOM 1340 CD2 PHE A 143 15.187 49.470 14.923 1.00 33.76 C ATOM 1341 CE1 PHE A 143 13.743 48.896 17.201 1.00 34.40 C ATOM 1342 CE2 PHE A 143 14.287 48.420 14.922 1.00 34.35 C ATOM 1343 CZ PHE A 143 13.565 48.133 16.062 1.00 34.24 C ATOM 1344 H PHE A 143 18.420 52.816 15.582 1.00 0.00 H ATOM 1345 N LEU A 144 18.756 49.573 14.967 1.00 35.05 N ATOM 1346 CA LEU A 144 19.172 48.281 14.431 1.00 35.34 C ATOM 1347 C LEU A 144 20.409 47.753 15.146 1.00 34.59 C ATOM 1348 O LEU A 144 20.547 46.540 15.342 1.00 35.11 O ATOM 1349 CB LEU A 144 19.423 48.400 12.928 1.00 37.53 C ATOM 1350 CG LEU A 144 18.168 48.692 12.101 1.00 40.44 C ATOM 1351 CD1 LEU A 144 18.528 49.107 10.681 1.00 44.36 C ATOM 1352 CD2 LEU A 144 17.250 47.480 12.094 1.00 35.19 C ATOM 1353 H LEU A 144 18.906 50.436 14.406 1.00 0.00 H ATOM 1354 N ALA A 145 21.319 48.646 15.543 1.00 34.44 N ATOM 1355 CA ALA A 145 22.503 48.213 16.280 1.00 37.89 C ATOM 1356 C ALA A 145 22.127 47.649 17.645 1.00 38.78 C ATOM 1357 O ALA A 145 22.686 46.634 18.078 1.00 39.08 O ATOM 1358 CB ALA A 145 23.486 49.374 16.427 1.00 41.86 C ATOM 1359 H ALA A 145 21.184 49.654 15.326 1.00 0.00 H ATOM 1360 N ALA A 146 21.185 48.293 18.338 1.00 38.01 N ATOM 1361 CA ALA A 146 20.717 47.762 19.614 1.00 36.44 C ATOM 1362 C ALA A 146 20.023 46.419 19.425 1.00 37.11 C ATOM 1363 O ALA A 146 20.192 45.502 20.239 1.00 36.32 O ATOM 1364 CB ALA A 146 19.778 48.764 20.287 1.00 35.78 C ATOM 1365 H ALA A 146 20.783 49.177 17.967 1.00 0.00 H HETATM 1366 N MSE A 147 19.243 46.285 18.357 1.00 36.83 N HETATM 1367 CA MSE A 147 18.561 45.038 18.034 1.00 37.30 C HETATM 1368 C MSE A 147 19.557 43.906 17.802 1.00 36.55 C HETATM 1369 O MSE A 147 19.395 42.804 18.331 1.00 33.79 O HETATM 1370 CB MSE A 147 17.684 45.227 16.798 1.00 42.95 C HETATM 1371 CG MSE A 147 16.353 44.500 16.845 1.00 55.38 C HETATM 1372 SE MSE A 147 15.457 44.599 15.115 1.00 70.60 S HETATM 1373 CE MSE A 147 16.924 43.980 13.991 1.00 68.37 C HETATM 1374 H MSE A 147 19.114 47.102 17.727 1.00 0.00 H ATOM 1375 N GLU A 148 20.588 44.191 16.999 1.00 35.47 N ATOM 1376 CA GLU A 148 21.638 43.206 16.754 1.00 37.19 C ATOM 1377 C GLU A 148 22.321 42.794 18.051 1.00 39.39 C ATOM 1378 O GLU A 148 22.677 41.623 18.231 1.00 40.09 O ATOM 1379 CB GLU A 148 22.661 43.767 15.764 1.00 35.98 C ATOM 1380 CG GLU A 148 23.997 43.035 15.772 1.00 38.90 C ATOM 1381 CD GLU A 148 24.983 43.594 14.765 1.00 46.73 C ATOM 1382 OE1 GLU A 148 24.538 44.174 13.752 1.00 46.36 O ATOM 1383 OE2 GLU A 148 26.204 43.455 14.990 1.00 51.19 O ATOM 1384 H GLU A 148 20.643 45.125 16.544 1.00 0.00 H ATOM 1385 N LYS A 149 22.506 43.743 18.970 1.00 40.52 N ATOM 1386 CA LYS A 149 23.119 43.424 20.254 1.00 40.18 C ATOM 1387 C LYS A 149 22.236 42.484 21.070 1.00 37.93 C ATOM 1388 O LYS A 149 22.742 41.589 21.757 1.00 37.54 O ATOM 1389 CB LYS A 149 23.403 44.717 21.019 1.00 43.44 C ATOM 1390 CG LYS A 149 24.138 44.534 22.332 1.00 50.02 C ATOM 1391 CD LYS A 149 24.560 45.879 22.906 1.00 58.85 C ATOM 1392 CE LYS A 149 24.920 45.769 24.379 1.00 65.83 C ATOM 1393 NZ LYS A 149 26.003 44.775 24.619 1.00 70.12 N ATOM 1394 HZ1 LYS A 149 25.692 43.839 24.290 1.00 0.00 H ATOM 1395 HZ2 LYS A 149 26.856 45.061 24.097 1.00 0.00 H ATOM 1396 HZ3 LYS A 149 26.215 44.734 25.636 1.00 0.00 H ATOM 1397 H LYS A 149 22.210 44.720 18.769 1.00 0.00 H ATOM 1398 N LEU A 150 20.914 42.664 20.998 1.00 35.39 N ATOM 1399 CA LEU A 150 20.005 41.758 21.694 1.00 31.17 C ATOM 1400 C LEU A 150 20.089 40.347 21.125 1.00 33.20 C ATOM 1401 O LEU A 150 20.089 39.365 21.877 1.00 35.57 O ATOM 1402 CB LEU A 150 18.571 42.280 21.608 1.00 30.89 C ATOM 1403 CG LEU A 150 18.240 43.553 22.390 1.00 36.34 C ATOM 1404 CD1 LEU A 150 16.823 44.018 22.081 1.00 34.83 C ATOM 1405 CD2 LEU A 150 18.417 43.316 23.882 1.00 39.58 C ATOM 1406 H LEU A 150 20.530 43.455 20.442 1.00 0.00 H ATOM 1407 N LEU A 151 20.157 40.226 19.796 1.00 30.15 N ATOM 1408 CA LEU A 151 20.280 38.906 19.184 1.00 32.01 C ATOM 1409 C LEU A 151 21.607 38.253 19.544 1.00 34.06 C ATOM 1410 O LEU A 151 21.665 37.043 19.792 1.00 34.22 O ATOM 1411 CB LEU A 151 20.131 39.006 17.667 1.00 28.83 C ATOM 1412 CG LEU A 151 20.319 37.680 16.924 1.00 31.02 C ATOM 1413 CD1 LEU A 151 19.232 36.681 17.303 1.00 30.35 C ATOM 1414 CD2 LEU A 151 20.354 37.889 15.422 1.00 33.42 C ATOM 1415 H LEU A 151 20.122 41.075 19.196 1.00 0.00 H ATOM 1416 N PHE A 152 22.686 39.040 19.577 1.00 32.97 N ATOM 1417 CA PHE A 152 23.995 38.496 19.925 1.00 33.24 C ATOM 1418 C PHE A 152 23.974 37.855 21.306 1.00 34.18 C ATOM 1419 O PHE A 152 24.465 36.735 21.492 1.00 35.96 O ATOM 1420 CB PHE A 152 25.053 39.598 19.859 1.00 35.80 C ATOM 1421 CG PHE A 152 26.411 39.162 20.332 1.00 40.32 C ATOM 1422 CD1 PHE A 152 27.226 38.391 19.521 1.00 41.71 C ATOM 1423 CD2 PHE A 152 26.873 39.524 21.588 1.00 43.82 C ATOM 1424 CE1 PHE A 152 28.476 37.988 19.953 1.00 43.77 C ATOM 1425 CE2 PHE A 152 28.123 39.125 22.025 1.00 46.50 C ATOM 1426 CZ PHE A 152 28.924 38.354 21.207 1.00 45.73 C ATOM 1427 H PHE A 152 22.592 40.051 19.352 1.00 0.00 H ATOM 1428 N GLU A 153 23.404 38.554 22.291 1.00 33.25 N ATOM 1429 CA GLU A 153 23.330 38.005 23.641 1.00 36.49 C ATOM 1430 C GLU A 153 22.400 36.800 23.701 1.00 34.29 C ATOM 1431 O GLU A 153 22.649 35.855 24.457 1.00 39.24 O ATOM 1432 CB GLU A 153 22.883 39.088 24.622 1.00 41.99 C ATOM 1433 CG GLU A 153 24.011 39.992 25.087 1.00 57.37 C ATOM 1434 CD GLU A 153 23.666 41.465 24.982 1.00 71.53 C ATOM 1435 OE1 GLU A 153 24.482 42.221 24.415 1.00 78.63 O ATOM 1436 OE2 GLU A 153 22.582 41.864 25.459 1.00 73.03 O ATOM 1437 H GLU A 153 23.010 39.496 22.094 1.00 0.00 H ATOM 1438 N TYR A 154 21.323 36.816 22.911 1.00 33.15 N ATOM 1439 CA TYR A 154 20.430 35.664 22.835 1.00 31.72 C ATOM 1440 C TYR A 154 21.168 34.440 22.303 1.00 32.65 C ATOM 1441 O TYR A 154 21.052 33.339 22.853 1.00 34.20 O ATOM 1442 CB TYR A 154 19.227 36.008 21.950 1.00 29.67 C ATOM 1443 CG TYR A 154 17.953 35.231 22.229 1.00 29.36 C ATOM 1444 CD1 TYR A 154 17.976 33.864 22.483 1.00 33.58 C ATOM 1445 CD2 TYR A 154 16.721 35.873 22.224 1.00 27.50 C ATOM 1446 CE1 TYR A 154 16.806 33.162 22.731 1.00 32.03 C ATOM 1447 CE2 TYR A 154 15.550 35.182 22.470 1.00 29.95 C ATOM 1448 CZ TYR A 154 15.597 33.830 22.723 1.00 33.24 C ATOM 1449 OH TYR A 154 14.427 33.149 22.967 1.00 33.56 O ATOM 1450 HH TYR A 154 14.630 32.194 23.129 1.00 0.00 H ATOM 1451 H TYR A 154 21.118 37.662 22.342 1.00 0.00 H ATOM 1452 N LEU A 155 21.947 34.620 21.233 1.00 33.07 N ATOM 1453 CA LEU A 155 22.679 33.500 20.651 1.00 32.47 C ATOM 1454 C LEU A 155 23.814 33.035 21.554 1.00 32.55 C ATOM 1455 O LEU A 155 24.159 31.847 21.547 1.00 32.92 O ATOM 1456 CB LEU A 155 23.214 33.885 19.271 1.00 30.49 C ATOM 1457 CG LEU A 155 22.134 34.232 18.243 1.00 32.06 C ATOM 1458 CD1 LEU A 155 22.748 34.571 16.896 1.00 29.99 C ATOM 1459 CD2 LEU A 155 21.135 33.092 18.109 1.00 33.64 C ATOM 1460 H LEU A 155 22.033 35.567 20.811 1.00 0.00 H ATOM 1461 N CYS A 156 24.409 33.947 22.329 1.00 32.76 N ATOM 1462 CA CYS A 156 25.419 33.538 23.301 1.00 35.95 C ATOM 1463 C CYS A 156 24.824 32.608 24.351 1.00 38.97 C ATOM 1464 O CYS A 156 25.486 31.667 24.805 1.00 43.22 O ATOM 1465 CB CYS A 156 26.045 34.764 23.965 1.00 39.56 C ATOM 1466 SG CYS A 156 27.220 35.664 22.926 1.00 45.38 S ATOM 1467 H CYS A 156 24.152 34.951 22.240 1.00 0.00 H ATOM 1468 N GLN A 157 23.573 32.855 24.749 1.00 38.96 N ATOM 1469 CA GLN A 157 22.912 31.964 25.696 1.00 39.18 C ATOM 1470 C GLN A 157 22.602 30.612 25.067 1.00 38.92 C ATOM 1471 O GLN A 157 22.650 29.585 25.754 1.00 37.32 O ATOM 1472 CB GLN A 157 21.632 32.611 26.224 1.00 38.37 C ATOM 1473 CG GLN A 157 21.855 33.944 26.919 1.00 40.87 C ATOM 1474 CD GLN A 157 22.837 33.843 28.070 1.00 45.72 C ATOM 1475 OE1 GLN A 157 22.861 32.850 28.797 1.00 45.89 O ATOM 1476 NE2 GLN A 157 23.658 34.872 28.238 1.00 47.77 N ATOM 1477 HE22 GLN A 157 23.603 35.691 27.600 1.00 0.00 H ATOM 1478 HE21 GLN A 157 24.357 34.859 29.008 1.00 0.00 H ATOM 1479 H GLN A 157 23.068 33.687 24.382 1.00 0.00 H ATOM 1480 N LEU A 158 22.283 30.591 23.770 1.00 38.19 N ATOM 1481 CA LEU A 158 22.057 29.323 23.085 1.00 37.50 C ATOM 1482 C LEU A 158 23.334 28.493 23.032 1.00 39.06 C ATOM 1483 O LEU A 158 23.306 27.282 23.277 1.00 42.57 O ATOM 1484 CB LEU A 158 21.523 29.577 21.675 1.00 33.08 C ATOM 1485 CG LEU A 158 21.308 28.350 20.786 1.00 36.29 C ATOM 1486 CD1 LEU A 158 20.189 27.477 21.329 1.00 33.55 C ATOM 1487 CD2 LEU A 158 21.019 28.764 19.349 1.00 35.49 C ATOM 1488 H LEU A 158 22.195 31.485 23.245 1.00 0.00 H ATOM 1489 N GLU A 159 24.466 29.131 22.718 1.00 37.58 N ATOM 1490 CA GLU A 159 25.735 28.412 22.659 1.00 39.26 C ATOM 1491 C GLU A 159 26.124 27.836 24.014 1.00 44.56 C ATOM 1492 O GLU A 159 26.755 26.774 24.077 1.00 47.68 O ATOM 1493 CB GLU A 159 26.839 29.336 22.142 1.00 36.42 C ATOM 1494 CG GLU A 159 26.779 29.583 20.646 1.00 36.21 C ATOM 1495 CD GLU A 159 27.167 28.355 19.847 1.00 41.85 C ATOM 1496 OE1 GLU A 159 28.081 27.626 20.288 1.00 45.55 O ATOM 1497 OE2 GLU A 159 26.556 28.113 18.785 1.00 41.31 O ATOM 1498 H GLU A 159 24.442 30.150 22.514 1.00 0.00 H ATOM 1499 N LYS A 160 25.760 28.516 25.104 1.00 43.46 N ATOM 1500 CA LYS A 160 26.072 28.001 26.433 1.00 44.70 C ATOM 1501 C LYS A 160 25.332 26.702 26.721 1.00 45.41 C ATOM 1502 O LYS A 160 25.835 25.854 27.466 1.00 51.98 O ATOM 1503 CB LYS A 160 25.729 29.048 27.494 1.00 42.30 C ATOM 1504 CG LYS A 160 26.724 30.191 27.595 1.00 43.92 C ATOM 1505 CD LYS A 160 26.184 31.298 28.484 1.00 46.67 C ATOM 1506 CE LYS A 160 25.675 30.742 29.801 1.00 50.19 C ATOM 1507 NZ LYS A 160 24.967 31.774 30.604 1.00 53.81 N ATOM 1508 HZ1 LYS A 160 25.619 32.557 30.811 1.00 0.00 H ATOM 1509 HZ2 LYS A 160 24.153 32.132 30.065 1.00 0.00 H ATOM 1510 HZ3 LYS A 160 24.636 31.352 31.495 1.00 0.00 H ATOM 1511 H LYS A 160 25.251 29.418 25.005 1.00 0.00 H ATOM 1512 N ALA A 161 24.146 26.526 26.143 1.00 41.99 N ATOM 1513 CA ALA A 161 23.317 25.355 26.394 1.00 44.96 C ATOM 1514 C ALA A 161 23.612 24.194 25.452 1.00 48.97 C ATOM 1515 O ALA A 161 23.000 23.131 25.596 1.00 51.91 O ATOM 1516 CB ALA A 161 21.834 25.730 26.295 1.00 41.57 C ATOM 1517 H ALA A 161 23.798 27.253 25.486 1.00 0.00 H ATOM 1518 N LEU A 162 24.525 24.366 24.504 1.00 52.38 N ATOM 1519 CA LEU A 162 24.831 23.364 23.496 1.00 50.53 C ATOM 1520 C LEU A 162 26.175 22.690 23.787 1.00 48.84 C ATOM 1521 O LEU A 162 27.016 23.245 24.489 1.00 44.08 O ATOM 1522 CB LEU A 162 24.865 24.009 22.104 1.00 48.78 C ATOM 1523 CG LEU A 162 23.532 24.550 21.586 1.00 47.73 C ATOM 1524 CD1 LEU A 162 23.708 25.191 20.216 1.00 44.35 C ATOM 1525 CD2 LEU A 162 22.491 23.441 21.536 1.00 46.86 C ATOM 1526 H LEU A 162 25.049 25.264 24.481 1.00 0.00 H ATOM 1527 N PRO A 163 26.395 21.477 23.250 1.00 47.48 N ATOM 1528 CA PRO A 163 27.705 20.836 23.450 1.00 49.31 C ATOM 1529 C PRO A 163 28.790 21.512 22.632 1.00 50.07 C ATOM 1530 O PRO A 163 28.523 22.490 21.925 1.00 50.28 O ATOM 1531 CB PRO A 163 27.472 19.384 23.001 1.00 49.71 C ATOM 1532 CG PRO A 163 26.032 19.291 22.571 1.00 48.43 C ATOM 1533 CD PRO A 163 25.526 20.681 22.375 1.00 45.70 C ATOM 1534 N THR A 164 30.012 20.997 22.730 1.00 53.45 N ATOM 1535 CA THR A 164 31.140 21.599 22.036 1.00 57.49 C ATOM 1536 C THR A 164 30.845 21.689 20.542 1.00 56.42 C ATOM 1537 O THR A 164 30.502 20.676 19.921 1.00 54.72 O ATOM 1538 CB THR A 164 32.412 20.789 22.271 1.00 62.68 C ATOM 1539 OG1 THR A 164 32.726 20.804 23.670 1.00 68.18 O ATOM 1540 CG2 THR A 164 33.577 21.389 21.494 1.00 61.02 C ATOM 1541 HG1 THR A 164 33.551 20.280 23.828 1.00 0.00 H ATOM 1542 H THR A 164 30.164 20.149 23.313 1.00 0.00 H ATOM 1543 N PRO A 165 30.943 22.879 19.949 1.00 55.04 N ATOM 1544 CA PRO A 165 30.662 22.992 18.519 1.00 58.57 C ATOM 1545 C PRO A 165 31.677 22.210 17.725 1.00 63.96 C ATOM 1546 O PRO A 165 32.766 21.868 18.200 1.00 66.40 O ATOM 1547 CB PRO A 165 30.790 24.496 18.247 1.00 57.17 C ATOM 1548 CG PRO A 165 31.680 24.984 19.311 1.00 56.36 C ATOM 1549 CD PRO A 165 31.360 24.162 20.526 1.00 55.61 C ATOM 1550 N GLN A 166 31.304 21.933 16.492 1.00 67.23 N ATOM 1551 CA GLN A 166 32.165 21.251 15.547 1.00 75.64 C ATOM 1552 C GLN A 166 31.879 21.957 14.231 1.00 76.70 C ATOM 1553 O GLN A 166 30.721 22.061 13.808 1.00 80.59 O ATOM 1554 CB GLN A 166 31.893 19.744 15.586 1.00 81.78 C ATOM 1555 CG GLN A 166 30.392 19.445 15.638 1.00 84.24 C ATOM 1556 CD GLN A 166 29.636 20.089 14.520 1.00 88.25 C ATOM 1557 OE1 GLN A 166 30.212 20.361 13.487 1.00 89.78 O ATOM 1558 NE2 GLN A 166 28.368 20.399 14.737 1.00 86.93 N ATOM 1559 HE22 GLN A 166 27.918 20.145 15.639 1.00 0.00 H ATOM 1560 HE21 GLN A 166 27.822 20.897 14.005 1.00 0.00 H ATOM 1561 H GLN A 166 30.352 22.216 16.184 1.00 0.00 H ATOM 1562 N ALA A 167 32.934 22.543 13.665 1.00 74.16 N ATOM 1563 CA ALA A 167 32.774 23.417 12.520 1.00 70.63 C ATOM 1564 C ALA A 167 32.443 22.647 11.253 1.00 70.50 C ATOM 1565 O ALA A 167 32.065 23.256 10.244 1.00 68.23 O ATOM 1566 CB ALA A 167 34.051 24.215 12.332 1.00 71.31 C ATOM 1567 H ALA A 167 33.885 22.371 14.050 1.00 0.00 H ATOM 1568 N GLN A 168 32.580 21.319 11.286 1.00 72.02 N ATOM 1569 CA GLN A 168 32.500 20.484 10.091 1.00 72.77 C ATOM 1570 C GLN A 168 31.064 20.136 9.679 1.00 71.84 C ATOM 1571 O GLN A 168 30.848 19.779 8.516 1.00 71.31 O ATOM 1572 CB GLN A 168 33.317 19.199 10.316 1.00 77.42 C ATOM 1573 CG GLN A 168 33.325 18.199 9.158 1.00 84.30 C ATOM 1574 CD GLN A 168 34.432 18.436 8.141 1.00 92.23 C ATOM 1575 OE1 GLN A 168 34.361 19.350 7.316 1.00 93.80 O ATOM 1576 NE2 GLN A 168 35.448 17.585 8.178 1.00 96.99 N ATOM 1577 HE22 GLN A 168 35.467 16.829 8.891 1.00 0.00 H ATOM 1578 HE21 GLN A 168 36.226 17.674 7.494 1.00 0.00 H ATOM 1579 H GLN A 168 32.751 20.859 12.203 1.00 0.00 H ATOM 1580 N GLN A 169 30.072 20.265 10.575 1.00 44.90 N ATOM 1581 CA GLN A 169 28.722 19.757 10.289 1.00 53.93 C ATOM 1582 C GLN A 169 28.099 20.407 9.056 1.00 48.64 C ATOM 1583 O GLN A 169 27.471 19.715 8.249 1.00 49.90 O ATOM 1584 CB GLN A 169 27.770 19.950 11.484 1.00 65.58 C ATOM 1585 CG GLN A 169 27.493 18.706 12.466 1.00 77.74 C ATOM 1586 CD GLN A 169 26.717 17.560 11.845 1.00 82.94 C ATOM 1587 OE1 GLN A 169 27.120 17.028 10.804 1.00 84.13 O ATOM 1588 NE2 GLN A 169 25.671 17.105 12.525 1.00 86.63 N ATOM 1589 HE22 GLN A 169 25.368 17.586 13.396 1.00 0.00 H ATOM 1590 HE21 GLN A 169 25.155 16.268 12.186 1.00 0.00 H ATOM 1591 H GLN A 169 30.261 20.731 11.485 1.00 0.00 H ATOM 1592 N LEU A 170 28.278 21.722 8.876 1.00 42.98 N ATOM 1593 CA LEU A 170 27.597 22.387 7.765 1.00 46.95 C ATOM 1594 C LEU A 170 27.995 21.772 6.429 1.00 45.38 C ATOM 1595 O LEU A 170 27.130 21.385 5.634 1.00 40.28 O ATOM 1596 CB LEU A 170 27.871 23.891 7.769 1.00 44.46 C ATOM 1597 CG LEU A 170 27.054 24.575 6.668 1.00 44.04 C ATOM 1598 CD1 LEU A 170 25.564 24.376 6.933 1.00 45.70 C ATOM 1599 CD2 LEU A 170 27.388 26.050 6.571 1.00 44.02 C ATOM 1600 H LEU A 170 28.893 22.263 9.517 1.00 0.00 H ATOM 1601 N GLN A 171 29.300 21.651 6.175 1.00 47.90 N ATOM 1602 CA GLN A 171 29.766 21.024 4.944 1.00 45.80 C ATOM 1603 C GLN A 171 29.294 19.578 4.836 1.00 39.92 C ATOM 1604 O GLN A 171 28.949 19.115 3.742 1.00 37.62 O ATOM 1605 CB GLN A 171 31.287 21.113 4.870 1.00 52.87 C ATOM 1606 CG GLN A 171 31.781 22.424 4.280 1.00 66.34 C ATOM 1607 CD GLN A 171 31.925 22.352 2.772 1.00 74.52 C ATOM 1608 OE1 GLN A 171 31.740 21.293 2.173 1.00 77.40 O ATOM 1609 NE2 GLN A 171 32.245 23.481 2.150 1.00 75.53 N ATOM 1610 HE22 GLN A 171 32.392 24.353 2.698 1.00 0.00 H ATOM 1611 HE21 GLN A 171 32.349 23.493 1.115 1.00 0.00 H ATOM 1612 H GLN A 171 29.993 22.008 6.864 1.00 0.00 H ATOM 1613 N ASP A 172 29.263 18.847 5.955 1.00 38.03 N ATOM 1614 CA ASP A 172 28.722 17.489 5.926 1.00 40.99 C ATOM 1615 C ASP A 172 27.259 17.494 5.499 1.00 39.41 C ATOM 1616 O ASP A 172 26.851 16.723 4.621 1.00 38.81 O ATOM 1617 CB ASP A 172 28.871 16.822 7.295 1.00 46.95 C ATOM 1618 CG ASP A 172 30.310 16.482 7.630 1.00 50.64 C ATOM 1619 OD1 ASP A 172 31.145 16.436 6.703 1.00 50.81 O ATOM 1620 OD2 ASP A 172 30.602 16.252 8.822 1.00 52.73 O ATOM 1621 H ASP A 172 29.624 19.244 6.846 1.00 0.00 H ATOM 1622 N VAL A 173 26.456 18.370 6.105 1.00 35.19 N ATOM 1623 CA VAL A 173 25.025 18.394 5.822 1.00 35.34 C ATOM 1624 C VAL A 173 24.764 18.862 4.395 1.00 33.13 C ATOM 1625 O VAL A 173 23.929 18.289 3.684 1.00 35.57 O ATOM 1626 CB VAL A 173 24.297 19.274 6.853 1.00 37.49 C ATOM 1627 CG1 VAL A 173 22.850 19.496 6.442 1.00 42.34 C ATOM 1628 CG2 VAL A 173 24.369 18.639 8.234 1.00 41.61 C ATOM 1629 H VAL A 173 26.855 19.045 6.788 1.00 0.00 H ATOM 1630 N LEU A 174 25.473 19.902 3.948 1.00 34.32 N ATOM 1631 CA LEU A 174 25.263 20.407 2.595 1.00 36.17 C ATOM 1632 C LEU A 174 25.668 19.384 1.542 1.00 32.76 C ATOM 1633 O LEU A 174 25.079 19.347 0.455 1.00 33.50 O ATOM 1634 CB LEU A 174 26.032 21.714 2.392 1.00 34.46 C ATOM 1635 CG LEU A 174 25.569 22.902 3.240 1.00 37.07 C ATOM 1636 CD1 LEU A 174 26.432 24.130 2.987 1.00 41.12 C ATOM 1637 CD2 LEU A 174 24.103 23.211 2.978 1.00 37.69 C ATOM 1638 H LEU A 174 26.177 20.353 4.566 1.00 0.00 H ATOM 1639 N SER A 175 26.663 18.545 1.841 1.00 30.71 N ATOM 1640 CA SER A 175 27.054 17.507 0.893 1.00 34.34 C ATOM 1641 C SER A 175 25.978 16.435 0.764 1.00 34.34 C ATOM 1642 O SER A 175 25.845 15.819 -0.299 1.00 33.20 O ATOM 1643 CB SER A 175 28.383 16.879 1.314 1.00 36.50 C ATOM 1644 OG SER A 175 28.203 15.984 2.398 1.00 44.74 O ATOM 1645 HG SER A 175 27.825 16.475 3.170 1.00 0.00 H ATOM 1646 H SER A 175 27.160 18.632 2.751 1.00 0.00 H ATOM 1647 N TRP A 176 25.209 16.197 1.828 1.00 34.35 N ATOM 1648 CA TRP A 176 24.108 15.242 1.743 1.00 38.28 C ATOM 1649 C TRP A 176 22.962 15.802 0.911 1.00 38.04 C ATOM 1650 O TRP A 176 22.328 15.070 0.141 1.00 40.27 O ATOM 1651 CB TRP A 176 23.618 14.878 3.144 1.00 38.80 C ATOM 1652 CG TRP A 176 24.684 14.327 4.040 1.00 39.47 C ATOM 1653 CD1 TRP A 176 25.802 13.641 3.662 1.00 39.41 C ATOM 1654 CD2 TRP A 176 24.736 14.423 5.469 1.00 42.13 C ATOM 1655 NE1 TRP A 176 26.544 13.301 4.767 1.00 40.61 N ATOM 1656 CE2 TRP A 176 25.911 13.769 5.889 1.00 40.76 C ATOM 1657 CE3 TRP A 176 23.902 14.998 6.434 1.00 45.18 C ATOM 1658 CZ2 TRP A 176 26.275 13.677 7.230 1.00 43.05 C ATOM 1659 CZ3 TRP A 176 24.263 14.901 7.766 1.00 48.02 C ATOM 1660 CH2 TRP A 176 25.439 14.245 8.151 1.00 47.44 C ATOM 1661 HE1 TRP A 176 27.441 12.774 4.754 1.00 0.00 H ATOM 1662 H TRP A 176 25.395 16.694 2.722 1.00 0.00 H HETATM 1663 N MSE A 177 22.680 17.091 1.057 1.00 38.10 N HETATM 1664 CA MSE A 177 21.622 17.743 0.298 1.00 46.00 C HETATM 1665 C MSE A 177 22.000 17.920 -1.163 1.00 33.40 C HETATM 1666 O MSE A 177 21.159 17.808 -2.048 1.00 39.40 O HETATM 1667 CB MSE A 177 21.294 19.106 0.905 1.00 49.82 C HETATM 1668 CG MSE A 177 20.397 19.060 2.120 1.00 63.91 C HETATM 1669 SE MSE A 177 20.249 20.834 2.898 1.00 77.13 S HETATM 1670 CE MSE A 177 19.972 21.869 1.266 1.00 72.02 C HETATM 1671 H MSE A 177 23.233 17.653 1.735 1.00 0.00 H ATOM 1672 N GLN A 178 23.277 18.202 -1.406 1.00 44.16 N ATOM 1673 CA GLN A 178 23.793 18.480 -2.746 1.00 47.39 C ATOM 1674 C GLN A 178 24.976 17.548 -3.039 1.00 36.14 C ATOM 1675 O GLN A 178 26.118 17.997 -3.104 1.00 35.46 O ATOM 1676 CB GLN A 178 24.214 19.947 -2.876 1.00 53.81 C ATOM 1677 CG GLN A 178 23.114 20.941 -2.557 1.00 64.85 C ATOM 1678 CD GLN A 178 22.216 21.212 -3.744 1.00 76.60 C ATOM 1679 OE1 GLN A 178 21.030 20.885 -3.728 1.00 83.86 O ATOM 1680 NE2 GLN A 178 22.778 21.817 -4.785 1.00 78.28 N ATOM 1681 HE22 GLN A 178 23.785 22.076 -4.755 1.00 0.00 H ATOM 1682 HE21 GLN A 178 22.211 22.032 -5.630 1.00 0.00 H ATOM 1683 H GLN A 178 23.940 18.226 -0.605 1.00 0.00 H ATOM 1684 N PRO A 179 24.714 16.254 -3.214 1.00 36.11 N ATOM 1685 CA PRO A 179 25.830 15.323 -3.444 1.00 33.21 C ATOM 1686 C PRO A 179 26.444 15.523 -4.818 1.00 32.70 C ATOM 1687 O PRO A 179 25.767 15.873 -5.790 1.00 35.59 O ATOM 1688 CB PRO A 179 25.169 13.947 -3.326 1.00 36.87 C ATOM 1689 CG PRO A 179 23.726 14.168 -3.525 1.00 39.98 C ATOM 1690 CD PRO A 179 23.412 15.575 -3.130 1.00 39.11 C ATOM 1691 N GLY A 180 27.753 15.302 -4.884 1.00 34.76 N ATOM 1692 CA GLY A 180 28.461 15.333 -6.141 1.00 35.61 C ATOM 1693 C GLY A 180 28.833 16.703 -6.661 1.00 39.54 C ATOM 1694 O GLY A 180 29.392 16.796 -7.760 1.00 41.92 O ATOM 1695 H GLY A 180 28.279 15.102 -4.009 1.00 0.00 H ATOM 1696 N VAL A 181 28.551 17.771 -5.919 1.00 36.68 N ATOM 1697 CA VAL A 181 28.897 19.116 -6.355 1.00 40.55 C ATOM 1698 C VAL A 181 29.814 19.750 -5.317 1.00 42.73 C ATOM 1699 O VAL A 181 29.874 19.329 -4.159 1.00 46.07 O ATOM 1700 CB VAL A 181 27.653 19.998 -6.591 1.00 43.51 C ATOM 1701 CG1 VAL A 181 26.677 19.299 -7.529 1.00 46.04 C ATOM 1702 CG2 VAL A 181 26.984 20.348 -5.272 1.00 40.12 C ATOM 1703 H VAL A 181 28.072 17.642 -5.005 1.00 0.00 H ATOM 1704 N SER A 182 30.542 20.775 -5.752 1.00 46.58 N ATOM 1705 CA SER A 182 31.428 21.505 -4.856 1.00 57.36 C ATOM 1706 C SER A 182 30.636 22.537 -4.065 1.00 61.87 C ATOM 1707 O SER A 182 29.929 23.369 -4.642 1.00 67.79 O ATOM 1708 CB SER A 182 32.550 22.185 -5.640 1.00 62.89 C ATOM 1709 OG SER A 182 33.489 21.234 -6.114 1.00 66.17 O ATOM 1710 HG SER A 182 34.203 21.700 -6.617 1.00 0.00 H ATOM 1711 H SER A 182 30.477 21.060 -6.750 1.00 0.00 H ATOM 1712 N ILE A 183 30.754 22.477 -2.742 1.00 62.74 N ATOM 1713 CA ILE A 183 30.095 23.414 -1.841 1.00 65.07 C ATOM 1714 C ILE A 183 31.149 24.376 -1.314 1.00 66.51 C ATOM 1715 O ILE A 183 32.102 23.958 -0.645 1.00 66.73 O ATOM 1716 CB ILE A 183 29.386 22.691 -0.687 1.00 64.37 C ATOM 1717 CG1 ILE A 183 28.302 21.752 -1.223 1.00 59.12 C ATOM 1718 CG2 ILE A 183 28.787 23.700 0.278 1.00 67.61 C ATOM 1719 CD1 ILE A 183 27.160 22.467 -1.908 1.00 58.37 C ATOM 1720 H ILE A 183 31.344 21.726 -2.331 1.00 0.00 H ATOM 1721 N THR A 184 30.986 25.660 -1.620 1.00 69.24 N ATOM 1722 CA THR A 184 31.891 26.682 -1.113 1.00 74.49 C ATOM 1723 C THR A 184 31.580 26.962 0.351 1.00 73.40 C ATOM 1724 O THR A 184 30.410 27.067 0.735 1.00 77.03 O ATOM 1725 CB THR A 184 31.778 27.961 -1.947 1.00 80.93 C ATOM 1726 OG1 THR A 184 32.550 27.819 -3.147 1.00 84.48 O ATOM 1727 CG2 THR A 184 32.284 29.169 -1.171 1.00 83.91 C ATOM 1728 HG1 THR A 184 32.476 28.647 -3.685 1.00 0.00 H ATOM 1729 H THR A 184 30.195 25.940 -2.235 1.00 0.00 H ATOM 1730 N SER A 185 32.629 27.062 1.168 1.00 67.87 N ATOM 1731 CA SER A 185 32.465 27.314 2.593 1.00 70.09 C ATOM 1732 C SER A 185 31.639 28.572 2.831 1.00 66.25 C ATOM 1733 O SER A 185 31.814 29.589 2.155 1.00 70.36 O ATOM 1734 CB SER A 185 33.834 27.446 3.264 1.00 76.72 C ATOM 1735 OG SER A 185 34.633 28.412 2.601 1.00 82.76 O ATOM 1736 HG SER A 185 35.511 28.479 3.053 1.00 0.00 H ATOM 1737 H SER A 185 33.588 26.958 0.778 1.00 0.00 H ATOM 1738 N SER A 186 30.730 28.489 3.797 1.00 59.07 N ATOM 1739 CA SER A 186 29.826 29.591 4.103 1.00 56.14 C ATOM 1740 C SER A 186 30.552 30.642 4.934 1.00 57.85 C ATOM 1741 O SER A 186 31.108 30.331 5.992 1.00 55.27 O ATOM 1742 CB SER A 186 28.598 29.072 4.846 1.00 54.86 C ATOM 1743 OG SER A 186 27.784 30.141 5.302 1.00 59.18 O ATOM 1744 HG SER A 186 27.481 30.678 4.527 1.00 0.00 H ATOM 1745 H SER A 186 30.662 27.612 4.351 1.00 0.00 H ATOM 1746 N LEU A 187 30.546 31.888 4.454 1.00 44.50 N ATOM 1747 CA LEU A 187 31.116 32.978 5.242 1.00 48.09 C ATOM 1748 C LEU A 187 30.239 33.305 6.443 1.00 43.89 C ATOM 1749 O LEU A 187 30.750 33.641 7.519 1.00 45.74 O ATOM 1750 CB LEU A 187 31.314 34.216 4.368 1.00 55.66 C ATOM 1751 CG LEU A 187 32.763 34.567 4.023 1.00 66.46 C ATOM 1752 CD1 LEU A 187 33.362 33.538 3.075 1.00 66.67 C ATOM 1753 CD2 LEU A 187 32.856 35.969 3.436 1.00 72.22 C ATOM 1754 H LEU A 187 30.135 32.083 3.519 1.00 0.00 H ATOM 1755 N ALA A 188 28.916 33.215 6.280 1.00 37.31 N ATOM 1756 CA ALA A 188 28.015 33.430 7.407 1.00 36.50 C ATOM 1757 C ALA A 188 28.255 32.401 8.504 1.00 38.15 C ATOM 1758 O ALA A 188 28.217 32.729 9.696 1.00 38.52 O ATOM 1759 CB ALA A 188 26.562 33.381 6.933 1.00 34.09 C ATOM 1760 H ALA A 188 28.526 32.990 5.343 1.00 0.00 H ATOM 1761 N TRP A 189 28.513 31.150 8.117 1.00 32.27 N ATOM 1762 CA TRP A 189 28.806 30.108 9.096 1.00 35.01 C ATOM 1763 C TRP A 189 30.109 30.395 9.832 1.00 36.65 C ATOM 1764 O TRP A 189 30.181 30.276 11.060 1.00 37.31 O ATOM 1765 CB TRP A 189 28.864 28.750 8.394 1.00 34.92 C ATOM 1766 CG TRP A 189 29.216 27.591 9.276 1.00 37.71 C ATOM 1767 CD1 TRP A 189 30.358 26.844 9.228 1.00 39.91 C ATOM 1768 CD2 TRP A 189 28.412 27.029 10.322 1.00 36.53 C ATOM 1769 NE1 TRP A 189 30.319 25.857 10.183 1.00 33.14 N ATOM 1770 CE2 TRP A 189 29.135 25.948 10.867 1.00 38.54 C ATOM 1771 CE3 TRP A 189 27.155 27.337 10.851 1.00 36.39 C ATOM 1772 CZ2 TRP A 189 28.644 25.176 11.918 1.00 36.76 C ATOM 1773 CZ3 TRP A 189 26.669 26.569 11.895 1.00 39.57 C ATOM 1774 CH2 TRP A 189 27.413 25.501 12.417 1.00 41.37 C ATOM 1775 HE1 TRP A 189 31.066 25.155 10.358 1.00 0.00 H ATOM 1776 H TRP A 189 28.505 30.915 7.104 1.00 0.00 H ATOM 1777 N ARG A 190 31.152 30.784 9.094 1.00 38.68 N ATOM 1778 CA ARG A 190 32.438 31.063 9.727 1.00 45.30 C ATOM 1779 C ARG A 190 32.369 32.317 10.591 1.00 41.97 C ATOM 1780 O ARG A 190 32.959 32.361 11.676 1.00 45.71 O ATOM 1781 CB ARG A 190 33.532 31.196 8.667 1.00 52.57 C ATOM 1782 CG ARG A 190 34.913 30.771 9.149 1.00 65.54 C ATOM 1783 CD ARG A 190 35.976 30.930 8.068 1.00 76.15 C ATOM 1784 NE ARG A 190 36.197 29.699 7.313 1.00 80.73 N ATOM 1785 CZ ARG A 190 36.056 29.599 5.995 1.00 83.72 C ATOM 1786 NH1 ARG A 190 35.709 30.661 5.279 1.00 84.55 N ATOM 1787 NH2 ARG A 190 36.273 28.440 5.389 1.00 83.96 N ATOM 1788 HE ARG A 190 36.482 28.848 7.839 1.00 0.00 H ATOM 1789 HH12 ARG A 190 35.599 30.580 4.248 1.00 0.00 H ATOM 1790 HH11 ARG A 190 35.547 31.574 5.749 1.00 0.00 H ATOM 1791 HH22 ARG A 190 36.162 28.364 4.358 1.00 0.00 H ATOM 1792 HH21 ARG A 190 36.554 27.607 5.945 1.00 0.00 H ATOM 1793 H ARG A 190 31.048 30.889 8.065 1.00 0.00 H ATOM 1794 N GLN A 191 31.648 33.344 10.131 1.00 36.69 N ATOM 1795 CA GLN A 191 31.509 34.559 10.928 1.00 43.99 C ATOM 1796 C GLN A 191 30.758 34.283 12.225 1.00 43.47 C ATOM 1797 O GLN A 191 31.071 34.867 13.270 1.00 42.84 O ATOM 1798 CB GLN A 191 30.799 35.644 10.119 1.00 48.45 C ATOM 1799 CG GLN A 191 30.760 36.994 10.812 1.00 52.15 C ATOM 1800 CD GLN A 191 32.144 37.576 11.020 1.00 54.38 C ATOM 1801 OE1 GLN A 191 32.543 37.873 12.146 1.00 57.07 O ATOM 1802 NE2 GLN A 191 32.884 37.744 9.931 1.00 54.05 N ATOM 1803 HE22 GLN A 191 32.506 37.479 8.999 1.00 0.00 H ATOM 1804 HE21 GLN A 191 33.842 38.141 10.009 1.00 0.00 H ATOM 1805 H GLN A 191 31.185 33.277 9.202 1.00 0.00 H ATOM 1806 N TYR A 192 29.762 33.394 12.177 1.00 41.49 N ATOM 1807 CA TYR A 192 29.064 33.003 13.397 1.00 39.81 C ATOM 1808 C TYR A 192 30.009 32.313 14.372 1.00 40.92 C ATOM 1809 O TYR A 192 29.966 32.575 15.580 1.00 42.95 O ATOM 1810 CB TYR A 192 27.882 32.094 13.058 1.00 38.34 C ATOM 1811 CG TYR A 192 27.139 31.574 14.270 1.00 37.67 C ATOM 1812 CD1 TYR A 192 26.313 32.408 15.011 1.00 35.19 C ATOM 1813 CD2 TYR A 192 27.260 30.248 14.669 1.00 37.95 C ATOM 1814 CE1 TYR A 192 25.632 31.940 16.119 1.00 36.42 C ATOM 1815 CE2 TYR A 192 26.580 29.770 15.777 1.00 36.46 C ATOM 1816 CZ TYR A 192 25.770 30.621 16.498 1.00 37.06 C ATOM 1817 OH TYR A 192 25.091 30.157 17.602 1.00 37.81 O ATOM 1818 HH TYR A 192 25.740 29.821 18.270 1.00 0.00 H ATOM 1819 H TYR A 192 29.483 32.979 11.265 1.00 0.00 H ATOM 1820 N GLY A 193 30.878 31.437 13.864 1.00 38.70 N ATOM 1821 CA GLY A 193 31.827 30.763 14.736 1.00 39.64 C ATOM 1822 C GLY A 193 32.850 31.710 15.335 1.00 42.85 C ATOM 1823 O GLY A 193 33.266 31.540 16.485 1.00 44.19 O ATOM 1824 H GLY A 193 30.877 31.236 12.844 1.00 0.00 H ATOM 1825 N VAL A 194 33.271 32.717 14.568 1.00 43.20 N ATOM 1826 CA VAL A 194 34.198 33.714 15.095 1.00 44.08 C ATOM 1827 C VAL A 194 33.527 34.539 16.187 1.00 46.84 C ATOM 1828 O VAL A 194 34.088 34.739 17.270 1.00 51.27 O ATOM 1829 CB VAL A 194 34.729 34.609 13.961 1.00 43.96 C ATOM 1830 CG1 VAL A 194 35.547 35.758 14.532 1.00 44.22 C ATOM 1831 CG2 VAL A 194 35.565 33.794 12.987 1.00 43.41 C ATOM 1832 H VAL A 194 32.936 32.792 13.586 1.00 0.00 H ATOM 1833 N ASP A 195 32.311 35.026 15.919 1.00 42.48 N ATOM 1834 CA ASP A 195 31.622 35.873 16.887 1.00 40.05 C ATOM 1835 C ASP A 195 31.254 35.111 18.154 1.00 40.83 C ATOM 1836 O ASP A 195 31.214 35.703 19.239 1.00 44.13 O ATOM 1837 CB ASP A 195 30.370 36.484 16.254 1.00 42.50 C ATOM 1838 CG ASP A 195 30.698 37.489 15.166 1.00 45.61 C ATOM 1839 OD1 ASP A 195 31.818 38.042 15.184 1.00 51.00 O ATOM 1840 OD2 ASP A 195 29.836 37.730 14.294 1.00 42.56 O ATOM 1841 H ASP A 195 31.853 34.799 15.013 1.00 0.00 H HETATM 1842 N MSE A 196 30.985 33.812 18.046 1.00 40.06 N HETATM 1843 CA MSE A 196 30.642 33.005 19.215 1.00 41.73 C HETATM 1844 C MSE A 196 31.892 32.511 19.943 1.00 44.60 C HETATM 1845 O MSE A 196 31.797 31.856 20.981 1.00 48.65 O HETATM 1846 CB MSE A 196 29.769 31.812 18.816 1.00 42.85 C HETATM 1847 CG MSE A 196 28.380 32.174 18.306 1.00 49.58 C HETATM 1848 SE MSE A 196 27.320 33.261 19.541 1.00 58.58 S HETATM 1849 CE MSE A 196 27.385 34.952 18.571 1.00 54.88 C HETATM 1850 H MSE A 196 31.020 33.361 17.109 1.00 0.00 H ATOM 1851 N GLY A 197 33.060 32.821 19.390 1.00 45.72 N ATOM 1852 CA GLY A 197 34.310 32.450 20.025 1.00 46.98 C ATOM 1853 C GLY A 197 34.689 30.992 19.888 1.00 50.94 C ATOM 1854 O GLY A 197 35.241 30.409 20.829 1.00 54.28 O ATOM 1855 H GLY A 197 33.078 33.338 18.488 1.00 0.00 H ATOM 1856 N TRP A 198 34.411 30.382 18.739 1.00 50.82 N ATOM 1857 CA TRP A 198 34.773 28.987 18.530 1.00 57.02 C ATOM 1858 C TRP A 198 36.280 28.841 18.347 1.00 67.21 C ATOM 1859 O TRP A 198 36.951 29.718 17.794 1.00 72.29 O ATOM 1860 CB TRP A 198 34.051 28.418 17.310 1.00 55.15 C ATOM 1861 CG TRP A 198 32.573 28.253 17.488 1.00 51.17 C ATOM 1862 CD1 TRP A 198 31.830 28.602 18.580 1.00 47.44 C ATOM 1863 CD2 TRP A 198 31.654 27.697 16.539 1.00 48.22 C ATOM 1864 NE1 TRP A 198 30.507 28.297 18.369 1.00 43.41 N ATOM 1865 CE2 TRP A 198 30.373 27.741 17.124 1.00 44.92 C ATOM 1866 CE3 TRP A 198 31.792 27.167 15.253 1.00 46.27 C ATOM 1867 CZ2 TRP A 198 29.237 27.275 16.466 1.00 43.34 C ATOM 1868 CZ3 TRP A 198 30.662 26.705 14.601 1.00 43.92 C ATOM 1869 CH2 TRP A 198 29.402 26.761 15.208 1.00 44.64 C ATOM 1870 HE1 TRP A 198 29.733 28.461 19.044 1.00 0.00 H ATOM 1871 H TRP A 198 33.930 30.907 17.981 1.00 0.00 H ATOM 1872 N LEU A 199 36.809 27.714 18.815 1.00 72.00 N ATOM 1873 CA LEU A 199 38.227 27.411 18.662 1.00 80.89 C ATOM 1874 C LEU A 199 38.571 27.155 17.199 1.00 81.80 C ATOM 1875 O LEU A 199 39.120 28.022 16.519 1.00 83.08 O ATOM 1876 CB LEU A 199 38.616 26.200 19.513 1.00 86.35 C ATOM 1877 CG LEU A 199 39.649 26.439 20.615 1.00 92.12 C ATOM 1878 CD1 LEU A 199 40.118 25.122 21.202 1.00 95.26 C ATOM 1879 CD2 LEU A 199 40.823 27.244 20.092 1.00 95.17 C ATOM 1880 H LEU A 199 36.195 27.031 19.303 1.00 0.00 H TER 1881 LEU A 199 ATOM 1882 N SER B 509 15.690 17.297 32.042 1.00 76.05 N ATOM 1883 CA SER B 509 15.497 17.879 33.365 1.00 80.23 C ATOM 1884 C SER B 509 16.293 19.170 33.513 1.00 81.50 C ATOM 1885 O SER B 509 16.033 19.972 34.411 1.00 85.11 O ATOM 1886 CB SER B 509 15.901 16.884 34.455 1.00 83.59 C ATOM 1887 OG SER B 509 17.309 16.740 34.518 1.00 85.68 O ATOM 1888 HG SER B 509 17.542 16.092 35.230 1.00 0.00 H ATOM 1889 HN3 SER B 509 16.699 17.086 31.901 1.00 0.00 H ATOM 1890 HN2 SER B 509 15.371 17.972 31.318 1.00 0.00 H ATOM 1891 HN1 SER B 509 15.138 16.419 31.967 1.00 0.00 H ATOM 1892 N SER B 510 17.264 19.363 32.628 1.00 76.91 N ATOM 1893 CA SER B 510 18.099 20.554 32.612 1.00 74.50 C ATOM 1894 C SER B 510 17.853 21.346 31.334 1.00 65.55 C ATOM 1895 O SER B 510 17.238 20.864 30.379 1.00 61.89 O ATOM 1896 CB SER B 510 19.582 20.185 32.733 1.00 77.62 C ATOM 1897 OG SER B 510 20.033 19.493 31.581 1.00 76.09 O ATOM 1898 HG SER B 510 20.991 19.268 31.687 1.00 0.00 H ATOM 1899 H SER B 510 17.436 18.628 31.913 1.00 0.00 H ATOM 1900 N LEU B 511 18.347 22.585 31.330 1.00 61.60 N ATOM 1901 CA LEU B 511 18.189 23.435 30.154 1.00 57.48 C ATOM 1902 C LEU B 511 18.997 22.904 28.977 1.00 54.95 C ATOM 1903 O LEU B 511 18.516 22.905 27.838 1.00 51.30 O ATOM 1904 CB LEU B 511 18.597 24.870 30.484 1.00 59.63 C ATOM 1905 CG LEU B 511 18.422 25.903 29.368 1.00 58.31 C ATOM 1906 CD1 LEU B 511 16.955 26.041 28.989 1.00 57.19 C ATOM 1907 CD2 LEU B 511 19.001 27.247 29.785 1.00 60.77 C ATOM 1908 H LEU B 511 18.846 22.947 32.168 1.00 0.00 H ATOM 1909 N CYS B 512 20.224 22.442 29.232 1.00 57.14 N ATOM 1910 CA CYS B 512 21.063 21.917 28.158 1.00 59.27 C ATOM 1911 C CYS B 512 20.398 20.730 27.470 1.00 55.77 C ATOM 1912 O CYS B 512 20.281 20.698 26.240 1.00 52.16 O ATOM 1913 CB CYS B 512 22.434 21.521 28.707 1.00 65.71 C ATOM 1914 SG CYS B 512 23.419 22.900 29.333 1.00 75.79 S ATOM 1915 H CYS B 512 20.586 22.456 30.207 1.00 0.00 H ATOM 1916 N ALA B 513 19.950 19.745 28.252 1.00 56.12 N ATOM 1917 CA ALA B 513 19.274 18.590 27.671 1.00 56.28 C ATOM 1918 C ALA B 513 17.987 18.992 26.962 1.00 59.50 C ATOM 1919 O ALA B 513 17.607 18.370 25.963 1.00 59.87 O ATOM 1920 CB ALA B 513 18.982 17.551 28.754 1.00 48.00 C ATOM 1921 H ALA B 513 20.084 19.801 29.282 1.00 0.00 H ATOM 1922 N ARG B 514 17.311 20.029 27.457 1.00 60.61 N ATOM 1923 CA ARG B 514 16.064 20.464 26.837 1.00 61.95 C ATOM 1924 C ARG B 514 16.325 21.179 25.516 1.00 64.10 C ATOM 1925 O ARG B 514 15.565 21.014 24.554 1.00 64.71 O ATOM 1926 CB ARG B 514 15.296 21.362 27.806 1.00 64.51 C ATOM 1927 CG ARG B 514 13.826 21.553 27.479 1.00 65.19 C ATOM 1928 CD ARG B 514 13.014 21.860 28.736 1.00 70.14 C ATOM 1929 NE ARG B 514 13.562 22.973 29.510 1.00 75.79 N ATOM 1930 CZ ARG B 514 14.255 22.833 30.637 1.00 80.07 C ATOM 1931 NH1 ARG B 514 14.491 21.624 31.129 1.00 80.47 N ATOM 1932 NH2 ARG B 514 14.714 23.903 31.274 1.00 80.39 N ATOM 1933 HE ARG B 514 13.399 23.937 29.156 1.00 0.00 H ATOM 1934 HH12 ARG B 514 15.033 21.518 32.010 1.00 0.00 H ATOM 1935 HH11 ARG B 514 14.134 20.782 30.634 1.00 0.00 H ATOM 1936 HH22 ARG B 514 15.256 23.791 32.155 1.00 0.00 H ATOM 1937 HH21 ARG B 514 14.532 24.853 30.892 1.00 0.00 H ATOM 1938 H ARG B 514 17.675 20.532 28.291 1.00 0.00 H ATOM 1939 N VAL B 515 17.399 21.968 25.447 1.00 62.84 N ATOM 1940 CA VAL B 515 17.725 22.682 24.215 1.00 61.32 C ATOM 1941 C VAL B 515 18.214 21.712 23.146 1.00 65.09 C ATOM 1942 O VAL B 515 17.791 21.775 21.986 1.00 66.68 O ATOM 1943 CB VAL B 515 18.768 23.781 24.491 1.00 56.91 C ATOM 1944 CG1 VAL B 515 19.248 24.394 23.188 1.00 55.14 C ATOM 1945 CG2 VAL B 515 18.189 24.851 25.393 1.00 56.70 C ATOM 1946 H VAL B 515 18.011 22.076 26.281 1.00 0.00 H ATOM 1947 N GLN B 516 19.114 20.801 23.518 1.00 63.90 N ATOM 1948 CA GLN B 516 19.713 19.891 22.549 1.00 65.57 C ATOM 1949 C GLN B 516 18.730 18.867 21.999 1.00 64.69 C ATOM 1950 O GLN B 516 19.052 18.203 21.008 1.00 62.96 O ATOM 1951 CB GLN B 516 20.913 19.185 23.179 1.00 68.06 C ATOM 1952 CG GLN B 516 22.010 20.152 23.624 1.00 71.29 C ATOM 1953 CD GLN B 516 22.835 19.618 24.782 1.00 72.42 C ATOM 1954 OE1 GLN B 516 22.602 18.519 25.273 1.00 72.94 O ATOM 1955 NE2 GLN B 516 23.800 20.402 25.226 1.00 72.00 N ATOM 1956 HE22 GLN B 516 23.964 21.327 24.781 1.00 0.00 H ATOM 1957 HE21 GLN B 516 24.396 20.094 26.021 1.00 0.00 H ATOM 1958 H GLN B 516 19.394 20.738 24.518 1.00 0.00 H ATOM 1959 N ALA B 517 17.555 18.722 22.607 1.00 62.54 N ATOM 1960 CA ALA B 517 16.506 17.861 22.080 1.00 59.73 C ATOM 1961 C ALA B 517 15.498 18.621 21.229 1.00 59.09 C ATOM 1962 O ALA B 517 14.469 18.051 20.850 1.00 60.32 O ATOM 1963 CB ALA B 517 15.784 17.146 23.224 1.00 56.28 C ATOM 1964 H ALA B 517 17.380 19.242 23.490 1.00 0.00 H ATOM 1965 N ALA B 518 15.772 19.885 20.916 1.00 59.36 N ATOM 1966 CA ALA B 518 14.827 20.697 20.164 1.00 58.06 C ATOM 1967 C ALA B 518 14.741 20.243 18.710 1.00 56.63 C ATOM 1968 O ALA B 518 15.721 19.788 18.116 1.00 55.79 O ATOM 1969 CB ALA B 518 15.223 22.173 20.218 1.00 57.63 C ATOM 1970 H ALA B 518 16.678 20.300 21.214 1.00 0.00 H ATOM 1971 N ARG B 519 13.544 20.373 18.140 1.00 58.00 N ATOM 1972 CA ARG B 519 13.291 20.076 16.735 1.00 60.97 C ATOM 1973 C ARG B 519 12.611 21.288 16.114 1.00 58.89 C ATOM 1974 O ARG B 519 11.498 21.645 16.509 1.00 59.69 O ATOM 1975 CB ARG B 519 12.413 18.830 16.586 1.00 64.25 C ATOM 1976 CG ARG B 519 12.943 17.596 17.295 1.00 70.20 C ATOM 1977 CD ARG B 519 12.088 16.377 16.998 1.00 79.91 C ATOM 1978 NE ARG B 519 12.290 15.891 15.636 1.00 89.13 N ATOM 1979 CZ ARG B 519 11.518 14.986 15.044 1.00 97.17 C ATOM 1980 NH1 ARG B 519 10.486 14.467 15.693 1.00100.39 N ATOM 1981 NH2 ARG B 519 11.778 14.601 13.801 1.00100.87 N ATOM 1982 HE ARG B 519 13.089 16.278 15.095 1.00 0.00 H ATOM 1983 HH12 ARG B 519 9.882 13.759 15.229 1.00 0.00 H ATOM 1984 HH11 ARG B 519 10.279 14.768 16.667 1.00 0.00 H ATOM 1985 HH22 ARG B 519 11.173 13.893 13.339 1.00 0.00 H ATOM 1986 HH21 ARG B 519 12.587 15.008 13.289 1.00 0.00 H ATOM 1987 H ARG B 519 12.751 20.703 18.726 1.00 0.00 H ATOM 1988 N LEU B 520 13.276 21.916 15.150 1.00 54.80 N ATOM 1989 CA LEU B 520 12.732 23.110 14.518 1.00 53.20 C ATOM 1990 C LEU B 520 11.873 22.740 13.314 1.00 52.99 C ATOM 1991 O LEU B 520 11.985 21.624 12.783 1.00 50.02 O ATOM 1992 CB LEU B 520 13.872 24.048 14.106 1.00 56.05 C ATOM 1993 CG LEU B 520 14.908 24.504 15.129 1.00 56.52 C ATOM 1994 CD1 LEU B 520 15.821 25.543 14.503 1.00 56.66 C ATOM 1995 CD2 LEU B 520 14.253 25.064 16.380 1.00 55.96 C ATOM 1996 H LEU B 520 14.199 21.549 14.842 1.00 0.00 H ATOM 1997 N PRO B 521 11.002 23.639 12.856 1.00 48.93 N ATOM 1998 CA PRO B 521 10.123 23.334 11.713 1.00 50.75 C ATOM 1999 C PRO B 521 10.918 23.042 10.458 1.00 53.31 C ATOM 2000 O PRO B 521 11.954 23.693 10.205 1.00 54.18 O ATOM 2001 CB PRO B 521 9.273 24.603 11.570 1.00 50.90 C ATOM 2002 CG PRO B 521 9.346 25.273 12.920 1.00 48.58 C ATOM 2003 CD PRO B 521 10.704 24.967 13.449 1.00 47.27 C ATOM 2004 N PRO B 522 10.497 22.058 9.651 1.00 46.53 N ATOM 2005 CA PRO B 522 11.281 21.709 8.453 1.00 52.32 C ATOM 2006 C PRO B 522 11.539 22.871 7.509 1.00 54.32 C ATOM 2007 O PRO B 522 12.643 22.968 6.956 1.00 55.98 O ATOM 2008 CB PRO B 522 10.441 20.620 7.772 1.00 55.67 C ATOM 2009 CG PRO B 522 9.255 20.369 8.668 1.00 56.21 C ATOM 2010 CD PRO B 522 9.531 20.991 9.997 1.00 49.42 C ATOM 2011 N GLN B 523 10.561 23.756 7.310 1.00 55.66 N ATOM 2012 CA GLN B 523 10.752 24.855 6.367 1.00 55.12 C ATOM 2013 C GLN B 523 11.726 25.903 6.897 1.00 45.36 C ATOM 2014 O GLN B 523 12.405 26.573 6.107 1.00 44.62 O ATOM 2015 CB GLN B 523 9.406 25.498 6.025 1.00 61.14 C ATOM 2016 CG GLN B 523 8.685 24.826 4.871 1.00 72.66 C ATOM 2017 CD GLN B 523 7.178 24.942 4.975 1.00 82.88 C ATOM 2018 OE1 GLN B 523 6.489 23.958 5.233 1.00 91.50 O ATOM 2019 NE2 GLN B 523 6.660 26.141 4.777 1.00 81.71 N ATOM 2020 HE22 GLN B 523 7.281 26.947 4.561 1.00 0.00 H ATOM 2021 HE21 GLN B 523 5.631 26.279 4.837 1.00 0.00 H ATOM 2022 H GLN B 523 9.663 23.664 7.826 1.00 0.00 H ATOM 2023 N LEU B 524 11.809 26.062 8.218 1.00 40.14 N ATOM 2024 CA LEU B 524 12.828 26.936 8.790 1.00 40.11 C ATOM 2025 C LEU B 524 14.224 26.383 8.537 1.00 41.02 C ATOM 2026 O LEU B 524 15.166 27.146 8.285 1.00 40.11 O ATOM 2027 CB LEU B 524 12.585 27.115 10.289 1.00 41.18 C ATOM 2028 CG LEU B 524 13.586 27.994 11.042 1.00 43.04 C ATOM 2029 CD1 LEU B 524 13.547 29.414 10.497 1.00 43.33 C ATOM 2030 CD2 LEU B 524 13.300 27.974 12.536 1.00 43.28 C ATOM 2031 H LEU B 524 11.145 25.561 8.843 1.00 0.00 H HETATM 2032 N MSE B 525 14.377 25.063 8.594 1.00 43.59 N HETATM 2033 CA MSE B 525 15.663 24.425 8.341 1.00 46.85 C HETATM 2034 C MSE B 525 16.055 24.530 6.878 1.00 46.39 C HETATM 2035 O MSE B 525 17.217 24.783 6.557 1.00 43.86 O HETATM 2036 CB MSE B 525 15.636 22.954 8.756 1.00 54.75 C HETATM 2037 CG MSE B 525 17.012 22.414 9.103 1.00 72.14 C HETATM 2038 SE MSE B 525 17.706 23.333 10.670 1.00 85.72 S HETATM 2039 CE MSE B 525 16.074 23.294 11.704 1.00 83.29 C HETATM 2040 H MSE B 525 13.555 24.469 8.826 1.00 0.00 H ATOM 2041 N ALA B 526 15.078 24.312 5.995 1.00 42.49 N ATOM 2042 CA ALA B 526 15.331 24.441 4.564 1.00 46.64 C ATOM 2043 C ALA B 526 15.802 25.848 4.222 1.00 44.57 C ATOM 2044 O ALA B 526 16.770 26.028 3.475 1.00 45.54 O ATOM 2045 CB ALA B 526 14.072 24.083 3.774 1.00 45.13 C ATOM 2046 H ALA B 526 14.129 24.048 6.330 1.00 0.00 H ATOM 2047 N TRP B 527 15.128 26.862 4.770 1.00 44.39 N ATOM 2048 CA TRP B 527 15.553 28.239 4.545 1.00 41.68 C ATOM 2049 C TRP B 527 16.963 28.471 5.071 1.00 37.68 C ATOM 2050 O TRP B 527 17.793 29.094 4.400 1.00 40.03 O ATOM 2051 CB TRP B 527 14.578 29.214 5.208 1.00 40.03 C ATOM 2052 CG TRP B 527 15.167 30.584 5.345 1.00 40.49 C ATOM 2053 CD1 TRP B 527 15.200 31.558 4.392 1.00 42.06 C ATOM 2054 CD2 TRP B 527 15.831 31.126 6.496 1.00 36.19 C ATOM 2055 NE1 TRP B 527 15.836 32.675 4.877 1.00 42.99 N ATOM 2056 CE2 TRP B 527 16.233 32.436 6.166 1.00 39.75 C ATOM 2057 CE3 TRP B 527 16.120 30.632 7.772 1.00 31.88 C ATOM 2058 CZ2 TRP B 527 16.910 33.258 7.066 1.00 34.50 C ATOM 2059 CZ3 TRP B 527 16.793 31.451 8.664 1.00 31.97 C ATOM 2060 CH2 TRP B 527 17.178 32.749 8.307 1.00 30.76 C ATOM 2061 HE1 TRP B 527 15.991 33.559 4.351 1.00 0.00 H ATOM 2062 H TRP B 527 14.294 26.669 5.361 1.00 0.00 H ATOM 2063 N ALA B 528 17.250 27.975 6.277 1.00 34.80 N ATOM 2064 CA ALA B 528 18.535 28.250 6.911 1.00 33.15 C ATOM 2065 C ALA B 528 19.685 27.629 6.128 1.00 35.86 C ATOM 2066 O ALA B 528 20.697 28.288 5.861 1.00 37.26 O ATOM 2067 CB ALA B 528 18.523 27.741 8.353 1.00 29.53 C ATOM 2068 H ALA B 528 16.549 27.386 6.770 1.00 0.00 H ATOM 2069 N LEU B 529 19.545 26.357 5.748 1.00 37.58 N ATOM 2070 CA LEU B 529 20.633 25.666 5.061 1.00 42.18 C ATOM 2071 C LEU B 529 20.902 26.271 3.688 1.00 43.73 C ATOM 2072 O LEU B 529 22.061 26.408 3.280 1.00 48.37 O ATOM 2073 CB LEU B 529 20.312 24.176 4.947 1.00 43.44 C ATOM 2074 CG LEU B 529 20.415 23.418 6.272 1.00 45.47 C ATOM 2075 CD1 LEU B 529 19.749 22.055 6.187 1.00 52.12 C ATOM 2076 CD2 LEU B 529 21.872 23.279 6.680 1.00 41.21 C ATOM 2077 H LEU B 529 18.655 25.855 5.942 1.00 0.00 H ATOM 2078 N HIS B 530 19.847 26.641 2.959 1.00 46.46 N ATOM 2079 CA HIS B 530 20.043 27.289 1.666 1.00 53.09 C ATOM 2080 C HIS B 530 20.624 28.688 1.833 1.00 53.00 C ATOM 2081 O HIS B 530 21.452 29.123 1.024 1.00 52.18 O ATOM 2082 CB HIS B 530 18.724 27.347 0.897 1.00 52.12 C ATOM 2083 CG HIS B 530 18.318 26.038 0.293 1.00 61.49 C ATOM 2084 ND1 HIS B 530 17.459 25.163 0.921 1.00 63.77 N ATOM 2085 CD2 HIS B 530 18.651 25.459 -0.885 1.00 64.01 C ATOM 2086 CE1 HIS B 530 17.281 24.099 0.157 1.00 66.69 C ATOM 2087 NE2 HIS B 530 17.995 24.253 -0.944 1.00 65.71 N ATOM 2088 H HIS B 530 18.884 26.467 3.313 1.00 0.00 H ATOM 2089 N PHE B 531 20.200 29.406 2.876 1.00 49.42 N ATOM 2090 CA PHE B 531 20.711 30.754 3.109 1.00 48.14 C ATOM 2091 C PHE B 531 22.206 30.737 3.398 1.00 49.62 C ATOM 2092 O PHE B 531 22.945 31.618 2.942 1.00 48.70 O ATOM 2093 CB PHE B 531 19.947 31.408 4.262 1.00 44.85 C ATOM 2094 CG PHE B 531 20.320 32.842 4.507 1.00 48.97 C ATOM 2095 CD1 PHE B 531 19.651 33.866 3.858 1.00 53.00 C ATOM 2096 CD2 PHE B 531 21.331 33.168 5.398 1.00 50.95 C ATOM 2097 CE1 PHE B 531 19.989 35.187 4.085 1.00 56.13 C ATOM 2098 CE2 PHE B 531 21.675 34.486 5.628 1.00 51.55 C ATOM 2099 CZ PHE B 531 21.003 35.497 4.971 1.00 53.11 C ATOM 2100 H PHE B 531 19.499 29.001 3.529 1.00 0.00 H ATOM 2101 N LEU B 532 22.672 29.739 4.155 1.00 48.21 N ATOM 2102 CA LEU B 532 24.084 29.684 4.515 1.00 50.42 C ATOM 2103 C LEU B 532 24.960 29.408 3.299 1.00 61.80 C ATOM 2104 O LEU B 532 26.061 29.957 3.184 1.00 66.78 O ATOM 2105 CB LEU B 532 24.307 28.631 5.600 1.00 45.15 C ATOM 2106 CG LEU B 532 23.761 29.016 6.976 1.00 36.43 C ATOM 2107 CD1 LEU B 532 23.922 27.881 7.975 1.00 34.51 C ATOM 2108 CD2 LEU B 532 24.449 30.277 7.479 1.00 36.44 C ATOM 2109 H LEU B 532 22.024 28.997 4.489 1.00 0.00 H HETATM 2110 N MSE B 533 24.491 28.572 2.379 1.00 66.69 N HETATM 2111 CA MSE B 533 25.250 28.295 1.166 1.00 74.96 C HETATM 2112 C MSE B 533 24.821 29.218 0.029 1.00 75.79 C HETATM 2113 O MSE B 533 25.161 30.402 0.018 1.00 75.76 O HETATM 2114 CB MSE B 533 25.090 26.833 0.749 1.00 82.97 C HETATM 2115 CG MSE B 533 23.807 26.528 -0.004 1.00 91.07 C HETATM 2116 SE MSE B 533 23.852 24.758 -0.830 1.00106.18 S HETATM 2117 CE MSE B 533 21.949 24.345 -0.774 1.00103.80 C HETATM 2118 H MSE B 533 23.571 28.110 2.526 1.00 0.00 H TER 2119 MSE B 533 HETATM 2120 O HOH 1 8.955 28.241 10.854 1.00 60.46 O HETATM 2121 O HOH 2 13.213 50.331 6.910 1.00 56.73 O HETATM 2122 O HOH 3 26.989 23.677 26.902 1.00 53.00 O HETATM 2123 O HOH 4 28.595 17.944 -2.570 1.00 34.26 O HETATM 2124 O HOH 5 9.791 50.526 -3.585 1.00 35.56 O HETATM 2125 O HOH 6 31.303 23.240 7.856 1.00 41.60 O HETATM 2126 O HOH 7 -3.491 60.350 10.881 1.00 46.47 O HETATM 2127 O HOH 8 25.153 46.280 17.762 1.00 49.35 O HETATM 2128 O HOH 9 1.477 56.163 18.774 1.00 44.01 O HETATM 2129 O HOH 10 22.133 29.656 28.263 1.00 45.05 O HETATM 2130 O HOH 11 -3.426 40.408 8.949 1.00 36.63 O HETATM 2131 O HOH 12 5.633 67.199 5.359 1.00 27.43 O HETATM 2132 O HOH 13 -0.444 43.863 19.584 1.00 62.52 O HETATM 2133 O HOH 14 0.636 48.686 29.020 1.00 57.73 O HETATM 2134 O HOH 15 8.633 58.962 14.819 1.00 65.44 O HETATM 2135 O HOH 16 10.215 41.536 5.900 1.00 51.03 O HETATM 2136 O HOH 17 7.218 54.196 17.517 1.00 37.60 O HETATM 2137 O HOH 18 16.957 50.173 7.579 1.00 51.31 O HETATM 2138 O HOH 19 -3.775 65.950 8.322 1.00 42.78 O HETATM 2139 O HOH 20 7.279 30.657 21.458 1.00 60.97 O HETATM 2140 O HOH 21 26.390 34.325 10.858 1.00 31.15 O HETATM 2141 O HOH 22 37.465 27.305 3.261 1.00 92.63 O HETATM 2142 O HOH 23 6.906 33.816 8.435 1.00 50.11 O HETATM 2143 O HOH 24 11.837 31.928 3.301 1.00 44.79 O HETATM 2144 O HOH 25 14.130 31.765 25.291 1.00 39.69 O HETATM 2145 O HOH 26 6.506 59.000 12.450 1.00 47.03 O HETATM 2146 O HOH 27 23.343 17.032 -6.266 1.00 34.80 O HETATM 2147 O HOH 28 26.985 21.366 16.923 1.00 37.05 O HETATM 2148 O HOH 29 11.545 55.457 1.705 1.00 52.50 O HETATM 2149 O HOH 30 -2.482 52.492 -0.236 1.00 38.39 O HETATM 2150 O HOH 31 15.036 52.953 8.811 1.00 48.65 O HETATM 2151 O HOH 32 -5.820 45.704 5.165 1.00 50.09 O HETATM 2152 O HOH 33 21.137 46.140 22.912 1.00 51.31 O HETATM 2153 O HOH 34 5.329 66.576 11.718 1.00 60.07 O HETATM 2154 O HOH 35 30.298 28.087 22.123 1.00 56.48 O HETATM 2155 O HOH 36 3.479 52.996 2.029 1.00 53.02 O HETATM 2156 O HOH 37 11.588 39.413 31.981 1.00 50.41 O HETATM 2157 O HOH 38 9.390 44.068 5.301 1.00 37.14 O HETATM 2158 O HOH 39 18.195 37.648 29.343 1.00 45.33 O HETATM 2159 O HOH 40 3.535 65.637 3.818 1.00 29.45 O HETATM 2160 O HOH 41 12.448 34.526 3.781 1.00 59.54 O HETATM 2161 O HOH 42 -4.185 63.765 2.587 1.00 55.07 O HETATM 2162 O HOH 43 29.166 25.186 23.136 1.00 60.47 O HETATM 2163 O HOH 44 -4.398 38.830 13.657 1.00 58.13 O HETATM 2164 O HOH 45 -4.102 50.213 -0.163 1.00 44.96 O HETATM 2165 O HOH 46 28.558 31.773 24.582 1.00 53.05 O HETATM 2166 O HOH 47 29.772 32.582 1.543 1.00 60.43 O HETATM 2167 O HOH 48 29.218 15.168 -2.159 1.00 31.59 O HETATM 2168 O HOH 49 1.758 58.729 12.938 1.00 46.22 O HETATM 2169 O HOH 50 -2.921 45.874 -2.040 1.00 27.45 O HETATM 2170 O HOH 51 4.406 58.946 13.480 1.00 48.27 O HETATM 2171 O HOH 52 17.121 54.754 15.971 1.00 51.49 O HETATM 2172 O HOH 53 25.656 47.117 14.745 1.00 55.23 O HETATM 2173 O HOH 54 9.993 44.299 2.979 1.00 54.02 O HETATM 2174 O HOH 55 22.940 50.153 11.295 1.00 49.53 O HETATM 2175 O HOH 56 22.090 19.141 -6.553 1.00 64.43 O HETATM 2176 O HOH 57 -5.786 44.457 7.827 1.00 49.94 O HETATM 2177 O HOH 58 6.669 29.860 23.920 1.00 68.19 O HETATM 2178 O HOH 59 -6.219 50.374 3.596 1.00 69.75 O HETATM 2179 O HOH 60 31.236 25.527 5.979 1.00 55.96 O HETATM 2180 O HOH 61 -6.689 44.224 3.452 1.00 76.95 O HETATM 2181 O HOH 62 17.378 57.040 17.484 1.00 61.56 O HETATM 2182 O HOH 63 -7.095 48.030 5.166 1.00 56.63 O HETATM 2183 O HOH 64 -8.244 48.805 7.037 1.00 62.95 O HETATM 2184 O HOH 65 19.363 47.905 23.923 1.00 59.39 O HETATM 2185 O HOH 66 13.678 56.079 19.720 1.00 47.11 O HETATM 2186 O HOH 67 6.179 52.240 19.168 1.00 32.66 O HETATM 2187 O HOH 68 24.540 32.682 -0.635 1.00 67.61 O HETATM 2188 O HOH 69 13.264 19.531 24.249 1.00 62.45 O HETATM 2189 O HOH 70 13.724 26.248 29.840 1.00 35.16 O HETATM 2190 O HOH 71 22.758 34.194 1.389 1.00 52.85 O HETATM 2191 O HOH 72 7.722 23.826 8.512 1.00 48.32 O HETATM 2192 N LYS A 73 6.130 60.907 27.938 1.00 0.24 N HETATM 2193 CA LYS A 73 6.045 60.094 26.731 1.00 0.07 C HETATM 2194 C LYS A 73 5.714 58.642 27.050 1.00 0.23 C HETATM 2195 O LYS A 73 6.289 58.048 27.963 1.00 -0.39 O HETATM 2196 N LYS A 73 4.781 58.077 26.291 1.00 -0.26 N HETATM 2197 CA LYS A 73 4.456 56.667 26.420 1.00 0.13 C HETATM 2198 C LYS A 73 5.475 55.818 25.670 1.00 0.20 C HETATM 2199 O LYS A 73 6.056 56.246 24.668 1.00 -0.39 O HETATM 2200 N LYS A 73 5.687 54.603 26.171 1.00 -0.26 N HETATM 2201 CA LYS A 73 6.747 53.748 25.654 1.00 0.13 C HETATM 2202 C LYS A 73 6.504 53.386 24.194 1.00 0.20 C HETATM 2203 O LYS A 73 5.384 53.062 23.790 1.00 -0.39 O HETATM 2204 N LYS A 73 7.564 53.464 23.410 1.00 -0.26 N HETATM 2205 CA LYS A 73 7.593 52.964 22.053 1.00 0.16 C HETATM 2206 C LYS A 73 8.474 51.750 21.911 1.00 0.21 C HETATM 2207 O LYS A 73 9.324 51.490 22.719 1.00 -0.39 O HETATM 2208 N LYS A 73 8.272 51.032 20.829 1.00 -0.26 N HETATM 2209 CA LYS A 73 9.096 49.894 20.502 1.00 0.13 C HETATM 2210 C LYS A 73 10.544 50.304 20.338 1.00 0.20 C HETATM 2211 O LYS A 73 11.423 49.712 20.890 1.00 -0.39 O HETATM 2212 N LYS A 73 10.753 51.364 19.594 1.00 -0.26 N HETATM 2213 CA LYS A 73 12.046 51.982 19.470 1.00 0.15 C HETATM 2214 C LYS A 73 12.783 52.233 20.782 1.00 0.21 C HETATM 2215 O LYS A 73 13.884 51.824 20.939 1.00 -0.39 O HETATM 2216 N LYS A 73 12.153 52.919 21.709 1.00 -0.26 N HETATM 2217 CA LYS A 73 12.790 53.253 22.953 1.00 0.13 C HETATM 2218 C LYS A 73 12.943 52.043 23.832 1.00 0.20 C HETATM 2219 O LYS A 73 13.910 51.910 24.529 1.00 -0.39 O HETATM 2220 N LYS A 73 11.989 51.144 23.776 1.00 -0.26 N HETATM 2221 CA LYS A 73 12.111 49.899 24.486 1.00 0.13 C HETATM 2222 C LYS A 73 13.295 49.056 24.016 1.00 0.20 C HETATM 2223 O LYS A 73 13.908 48.412 24.800 1.00 -0.39 O HETATM 2224 N LYS A 73 13.603 49.069 22.736 1.00 -0.26 N HETATM 2225 CA LYS A 73 14.735 48.349 22.235 1.00 0.13 C HETATM 2226 C LYS A 73 16.025 49.049 22.617 1.00 0.20 C HETATM 2227 O LYS A 73 16.967 48.420 23.006 1.00 -0.39 O HETATM 2228 N LYS A 73 16.028 50.364 22.534 1.00 -0.26 N HETATM 2229 CA LYS A 73 17.201 51.154 22.830 1.00 0.13 C HETATM 2230 C LYS A 73 17.579 51.254 24.292 1.00 0.20 C HETATM 2231 O LYS A 73 18.705 51.518 24.595 1.00 -0.39 O HETATM 2232 N LYS A 73 16.653 51.017 25.197 1.00 -0.26 N HETATM 2233 CA LYS A 73 16.925 51.236 26.607 1.00 0.13 C HETATM 2234 C LYS A 73 17.681 50.120 27.307 1.00 0.20 C HETATM 2235 O LYS A 73 18.135 49.193 26.695 1.00 -0.39 O HETATM 2236 N LYS A 73 17.815 50.243 28.612 1.00 -0.27 N HETATM 2237 CA LYS A 73 18.701 49.395 29.415 1.00 0.10 C HETATM 2238 C LYS A 73 20.163 49.566 29.014 1.00 0.06 C HETATM 2239 O LYS A 73 20.601 50.674 28.695 1.00 -0.57 O HETATM 2240 OXT LYS A 73 20.928 48.599 29.003 1.00 -0.57 O HETATM 2241 CB LYS A 73 18.296 47.917 29.315 1.00 -0.01 C HETATM 2242 CG LYS A 73 19.472 46.946 29.436 1.00 0.00 C HETATM 2243 CD LYS A 73 19.036 45.509 29.622 1.00 0.04 C HETATM 2244 OE1 LYS A 73 17.898 45.280 30.075 1.00 -0.57 O HETATM 2245 OE2 LYS A 73 19.844 44.612 29.323 1.00 -0.57 O HETATM 2246 H115 LYS A 73 20.083 47.242 30.302 1.00 0.04 H HETATM 2247 H116 LYS A 73 20.077 47.013 28.520 1.00 0.04 H HETATM 2248 H113 LYS A 73 17.811 47.755 28.341 1.00 0.03 H HETATM 2249 H114 LYS A 73 17.581 47.698 30.122 1.00 0.03 H HETATM 2250 H112 LYS A 73 18.600 49.705 30.465 1.00 0.07 H HETATM 2251 H111 LYS A 73 17.285 50.951 29.079 1.00 0.19 H HETATM 2252 CB LYS A 73 15.651 51.569 27.370 1.00 -0.00 C HETATM 2253 CG LYS A 73 14.900 50.372 27.898 1.00 0.00 C HETATM 2254 CD LYS A 73 13.737 50.752 28.803 1.00 0.04 C HETATM 2255 OE1 LYS A 73 13.307 51.925 28.770 1.00 -0.57 O HETATM 2256 OE2 LYS A 73 13.247 49.878 29.551 1.00 -0.57 O HETATM 2257 H109 LYS A 73 15.599 49.744 28.470 1.00 0.04 H HETATM 2258 H110 LYS A 73 14.508 49.800 27.044 1.00 0.04 H HETATM 2259 H107 LYS A 73 14.982 52.122 26.695 1.00 0.03 H HETATM 2260 H108 LYS A 73 15.920 52.208 28.224 1.00 0.03 H HETATM 2261 H106 LYS A 73 17.572 52.124 26.657 1.00 0.08 H HETATM 2262 H105 LYS A 73 15.755 50.683 24.911 1.00 0.19 H HETATM 2263 CB LYS A 73 17.056 52.538 22.248 1.00 -0.01 C HETATM 2264 CG LYS A 73 17.209 52.553 20.750 1.00 -0.04 C HETATM 2265 CD1 LYS A 73 16.530 53.756 20.167 1.00 -0.06 C HETATM 2266 H99 LYS A 73 16.651 53.752 19.074 1.00 0.02 H HETATM 2267 H100 LYS A 73 16.982 54.669 20.582 1.00 0.02 H HETATM 2268 H101 LYS A 73 15.459 53.730 20.417 1.00 0.02 H HETATM 2269 CD2 LYS A 73 18.651 52.482 20.330 1.00 -0.06 C HETATM 2270 H102 LYS A 73 19.119 51.591 20.773 1.00 0.02 H HETATM 2271 H103 LYS A 73 19.178 53.383 20.676 1.00 0.02 H HETATM 2272 H104 LYS A 73 18.711 52.420 19.233 1.00 0.02 H HETATM 2273 H98 LYS A 73 16.706 51.658 20.355 1.00 0.03 H HETATM 2274 H96 LYS A 73 17.827 53.188 22.688 1.00 0.03 H HETATM 2275 H97 LYS A 73 16.059 52.926 22.505 1.00 0.03 H HETATM 2276 H95 LYS A 73 18.044 50.664 22.321 1.00 0.08 H HETATM 2277 H94 LYS A 73 15.189 50.832 22.256 1.00 0.19 H HETATM 2278 CB LYS A 73 14.643 48.136 20.715 1.00 -0.01 C HETATM 2279 CG1 LYS A 73 15.966 47.685 20.145 1.00 -0.06 C HETATM 2280 H88 LYS A 73 15.867 47.542 19.059 1.00 0.02 H HETATM 2281 H89 LYS A 73 16.263 46.736 20.615 1.00 0.02 H HETATM 2282 H90 LYS A 73 16.732 48.449 20.346 1.00 0.02 H HETATM 2283 CG2 LYS A 73 13.567 47.120 20.387 1.00 -0.06 C HETATM 2284 H91 LYS A 73 12.607 47.455 20.805 1.00 0.02 H HETATM 2285 H92 LYS A 73 13.837 46.147 20.823 1.00 0.02 H HETATM 2286 H93 LYS A 73 13.477 47.021 19.295 1.00 0.02 H HETATM 2287 H87 LYS A 73 14.373 49.095 20.248 1.00 0.03 H HETATM 2288 H86 LYS A 73 14.738 47.357 22.710 1.00 0.08 H HETATM 2289 H85 LYS A 73 13.035 49.592 22.101 1.00 0.19 H HETATM 2290 CB LYS A 73 10.819 49.108 24.398 1.00 -0.01 C HETATM 2291 CG LYS A 73 10.693 47.947 25.365 1.00 -0.04 C HETATM 2292 CD1 LYS A 73 10.730 48.442 26.784 1.00 -0.06 C HETATM 2293 H79 LYS A 73 10.638 47.589 27.472 1.00 0.02 H HETATM 2294 H80 LYS A 73 9.896 49.140 26.951 1.00 0.02 H HETATM 2295 H81 LYS A 73 11.683 48.959 26.967 1.00 0.02 H HETATM 2296 CD2 LYS A 73 9.444 47.151 25.116 1.00 -0.06 C HETATM 2297 H82 LYS A 73 9.436 46.798 24.074 1.00 0.02 H HETATM 2298 H83 LYS A 73 8.563 47.785 25.296 1.00 0.02 H HETATM 2299 H84 LYS A 73 9.418 46.287 25.796 1.00 0.02 H HETATM 2300 H78 LYS A 73 11.555 47.282 25.211 1.00 0.03 H HETATM 2301 H76 LYS A 73 10.736 48.708 23.377 1.00 0.03 H HETATM 2302 H77 LYS A 73 9.985 49.800 24.590 1.00 0.03 H HETATM 2303 H75 LYS A 73 12.284 50.142 25.545 1.00 0.08 H HETATM 2304 H74 LYS A 73 11.169 51.326 23.234 1.00 0.19 H HETATM 2305 CB LYS A 73 12.034 54.333 23.702 1.00 -0.01 C HETATM 2306 CG LYS A 73 12.508 54.488 25.129 1.00 -0.02 C HETATM 2307 CD LYS A 73 11.916 55.676 25.869 1.00 0.06 C HETATM 2308 NE LYS A 73 10.755 56.186 25.191 1.00 -0.27 N HETATM 2309 CZ LYS A 73 9.617 56.470 25.791 1.00 0.29 C HETATM 2310 NH1 LYS A 73 9.506 56.307 27.096 1.00 -0.28 N HETATM 2311 H70 LYS A 73 8.618 56.528 27.569 1.00 0.26 H HETATM 2312 H71 LYS A 73 10.307 55.959 27.642 1.00 0.26 H HETATM 2313 NH2 LYS A 73 8.598 56.914 25.072 1.00 -0.28 N HETATM 2314 H72 LYS A 73 8.700 57.036 24.054 1.00 0.26 H HETATM 2315 H73 LYS A 73 7.703 57.138 25.530 1.00 0.26 H HETATM 2316 H69 LYS A 73 10.817 56.339 24.174 1.00 0.26 H HETATM 2317 H67 LYS A 73 12.672 56.472 25.933 1.00 0.07 H HETATM 2318 H68 LYS A 73 11.629 55.360 26.883 1.00 0.07 H HETATM 2319 H65 LYS A 73 13.602 54.603 25.116 1.00 0.03 H HETATM 2320 H66 LYS A 73 12.242 53.574 25.680 1.00 0.03 H HETATM 2321 H63 LYS A 73 10.965 54.073 23.712 1.00 0.03 H HETATM 2322 H64 LYS A 73 12.174 55.290 23.178 1.00 0.03 H HETATM 2323 H62 LYS A 73 13.794 53.638 22.722 1.00 0.08 H HETATM 2324 H61 LYS A 73 11.212 53.214 21.546 1.00 0.19 H HETATM 2325 CB LYS A 73 11.912 53.274 18.709 1.00 0.08 C HETATM 2326 OG LYS A 73 13.161 53.811 18.459 1.00 -0.39 O HETATM 2327 H60 LYS A 73 13.603 53.979 19.283 1.00 0.21 H HETATM 2328 H58 LYS A 73 11.322 53.987 19.304 1.00 0.06 H HETATM 2329 H59 LYS A 73 11.401 53.082 17.754 1.00 0.06 H HETATM 2330 H57 LYS A 73 12.672 51.299 18.877 1.00 0.08 H HETATM 2331 H56 LYS A 73 9.983 51.758 19.093 1.00 0.19 H HETATM 2332 CB LYS A 73 8.589 49.162 19.259 1.00 -0.00 C HETATM 2333 CG1 LYS A 73 7.239 48.524 19.551 1.00 -0.05 C HETATM 2334 CD1 LYS A 73 6.582 47.836 18.393 1.00 -0.06 C HETATM 2335 H53 LYS A 73 5.619 47.414 18.716 1.00 0.02 H HETATM 2336 H54 LYS A 73 7.233 47.027 18.029 1.00 0.02 H HETATM 2337 H55 LYS A 73 6.412 48.562 17.584 1.00 0.02 H HETATM 2338 H48 LYS A 73 6.561 49.315 19.904 1.00 0.03 H HETATM 2339 H49 LYS A 73 7.382 47.781 20.349 1.00 0.03 H HETATM 2340 CG2 LYS A 73 9.571 48.099 18.845 1.00 -0.06 C HETATM 2341 H50 LYS A 73 10.546 48.563 18.634 1.00 0.02 H HETATM 2342 H51 LYS A 73 9.203 47.592 17.941 1.00 0.02 H HETATM 2343 H52 LYS A 73 9.681 47.365 19.657 1.00 0.02 H HETATM 2344 H47 LYS A 73 8.476 49.886 18.438 1.00 0.03 H HETATM 2345 H46 LYS A 73 9.041 49.191 21.346 1.00 0.08 H HETATM 2346 H45 LYS A 73 7.524 51.282 20.214 1.00 0.19 H HETATM 2347 CB LYS A 73 8.100 54.003 21.045 1.00 0.09 C HETATM 2348 OG1 LYS A 73 9.403 54.421 21.401 1.00 -0.39 O HETATM 2349 H41 LYS A 73 9.711 55.064 20.773 1.00 0.21 H HETATM 2350 CG2 LYS A 73 7.212 55.189 20.995 1.00 -0.03 C HETATM 2351 H42 LYS A 73 7.605 55.911 20.264 1.00 0.03 H HETATM 2352 H43 LYS A 73 7.171 55.659 21.989 1.00 0.03 H HETATM 2353 H44 LYS A 73 6.201 54.877 20.695 1.00 0.03 H HETATM 2354 H40 LYS A 73 8.130 53.540 20.048 1.00 0.06 H HETATM 2355 H39 LYS A 73 6.564 52.686 21.781 1.00 0.08 H HETATM 2356 H38 LYS A 73 8.391 53.892 23.774 1.00 0.19 H HETATM 2357 CB LYS A 73 6.852 52.476 26.496 1.00 -0.00 C HETATM 2358 CG LYS A 73 7.980 51.540 26.081 1.00 -0.00 C HETATM 2359 SD LYS A 73 9.619 52.244 26.355 1.00 -0.16 S HETATM 2360 CE LYS A 73 9.533 52.626 28.101 1.00 -0.02 C HETATM 2361 H35 LYS A 73 10.484 53.074 28.426 1.00 0.03 H HETATM 2362 H36 LYS A 73 9.350 51.703 28.670 1.00 0.03 H HETATM 2363 H37 LYS A 73 8.713 53.337 28.281 1.00 0.03 H HETATM 2364 H33 LYS A 73 7.871 51.313 25.010 1.00 0.04 H HETATM 2365 H34 LYS A 73 7.896 50.611 26.663 1.00 0.04 H HETATM 2366 H31 LYS A 73 5.902 51.928 26.412 1.00 0.03 H HETATM 2367 H32 LYS A 73 7.016 52.769 27.544 1.00 0.03 H HETATM 2368 H30 LYS A 73 7.699 54.295 25.723 1.00 0.08 H HETATM 2369 H29 LYS A 73 5.108 54.271 26.916 1.00 0.19 H HETATM 2370 CB LYS A 73 3.044 56.390 25.903 1.00 -0.01 C HETATM 2371 CG LYS A 73 1.986 56.377 26.996 1.00 -0.02 C HETATM 2372 CD LYS A 73 0.630 56.810 26.466 1.00 0.06 C HETATM 2373 NE LYS A 73 0.385 56.326 25.111 1.00 -0.27 N HETATM 2374 CZ LYS A 73 -0.607 55.506 24.779 1.00 0.29 C HETATM 2375 NH1 LYS A 73 -1.452 55.077 25.708 1.00 -0.28 N HETATM 2376 H25 LYS A 73 -2.221 54.442 25.451 1.00 0.26 H HETATM 2377 H26 LYS A 73 -1.339 55.380 26.686 1.00 0.26 H HETATM 2378 NH2 LYS A 73 -0.757 55.117 23.520 1.00 -0.28 N HETATM 2379 H27 LYS A 73 -0.102 55.449 22.797 1.00 0.26 H HETATM 2380 H28 LYS A 73 -1.528 54.483 23.265 1.00 0.26 H HETATM 2381 H24 LYS A 73 1.021 56.640 24.364 1.00 0.26 H HETATM 2382 H22 LYS A 73 0.586 57.909 26.462 1.00 0.07 H HETATM 2383 H23 LYS A 73 -0.152 56.414 27.130 1.00 0.07 H HETATM 2384 H20 LYS A 73 2.292 57.065 27.798 1.00 0.03 H HETATM 2385 H21 LYS A 73 1.902 55.357 27.400 1.00 0.03 H HETATM 2386 H18 LYS A 73 3.042 55.409 25.406 1.00 0.03 H HETATM 2387 H19 LYS A 73 2.781 57.171 25.174 1.00 0.03 H HETATM 2388 H17 LYS A 73 4.495 56.397 27.486 1.00 0.08 H HETATM 2389 H16 LYS A 73 4.293 58.633 25.618 1.00 0.19 H HETATM 2390 CB LYS A 73 7.356 60.164 25.944 1.00 0.01 C HETATM 2391 CG LYS A 73 7.334 61.129 24.771 1.00 -0.04 C HETATM 2392 CD LYS A 73 8.653 61.099 24.013 1.00 -0.01 C HETATM 2393 CE LYS A 73 8.479 61.570 22.578 1.00 -0.04 C HETATM 2394 NZ LYS A 73 7.829 60.529 21.734 1.00 0.22 N HETATM 2395 H13 LYS A 73 7.730 60.874 20.792 1.00 0.20 H HETATM 2396 H14 LYS A 73 6.919 60.312 22.110 1.00 0.20 H HETATM 2397 H15 LYS A 73 8.398 59.697 21.729 1.00 0.20 H HETATM 2398 H11 LYS A 73 9.468 61.805 22.157 1.00 0.08 H HETATM 2399 H12 LYS A 73 7.854 62.475 22.573 1.00 0.08 H HETATM 2400 H9 LYS A 73 9.039 60.069 24.007 1.00 0.03 H HETATM 2401 H10 LYS A 73 9.373 61.758 24.521 1.00 0.03 H HETATM 2402 H7 LYS A 73 7.159 62.148 25.147 1.00 0.03 H HETATM 2403 H8 LYS A 73 6.520 60.845 24.087 1.00 0.03 H HETATM 2404 H5 LYS A 73 7.579 59.158 25.558 1.00 0.03 H HETATM 2405 H6 LYS A 73 8.154 60.478 26.633 1.00 0.03 H HETATM 2406 H4 LYS A 73 5.239 60.500 26.102 1.00 0.11 H HETATM 2407 H1 LYS A 73 6.350 61.858 27.688 1.00 0.20 H HETATM 2408 H2 LYS A 73 6.853 60.542 28.539 1.00 0.20 H HETATM 2409 H3 LYS A 73 5.246 60.883 28.422 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 536 531 537 544 CONECT 537 536 538 540 CONECT 538 537 539 545 CONECT 539 538 CONECT 540 537 541 CONECT 541 540 542 CONECT 542 541 543 CONECT 543 542 CONECT 544 536 CONECT 848 849 864 865 866 CONECT 864 848 CONECT 865 848 CONECT 866 848 CONECT 1366 1362 1367 1374 CONECT 1367 1366 1368 1370 CONECT 1368 1367 1369 1375 CONECT 1369 1368 CONECT 1370 1367 1371 CONECT 1371 1370 1372 CONECT 1372 1371 1373 CONECT 1373 1372 CONECT 1374 1366 CONECT 1663 1649 1664 1671 CONECT 1664 1663 1665 1667 CONECT 1665 1664 1666 1672 CONECT 1666 1665 CONECT 1667 1664 1668 CONECT 1668 1667 1669 CONECT 1669 1668 1670 CONECT 1670 1669 CONECT 1671 1663 CONECT 1842 1835 1843 1850 CONECT 1843 1842 1844 1846 CONECT 1844 1843 1845 1851 CONECT 1845 1844 CONECT 1846 1843 1847 CONECT 1847 1846 1848 CONECT 1848 1847 1849 CONECT 1849 1848 CONECT 1850 1842 CONECT 1882 1883 1889 1890 1891 CONECT 1889 1882 CONECT 1890 1882 CONECT 1891 1882 CONECT 2032 2025 2033 2040 CONECT 2033 2032 2034 2036 CONECT 2034 2033 2035 2041 CONECT 2035 2034 CONECT 2036 2033 2037 CONECT 2037 2036 2038 CONECT 2038 2037 2039 CONECT 2039 2038 CONECT 2040 2032 CONECT 2110 2103 2111 2118 CONECT 2111 2110 2112 2114 CONECT 2112 2111 2113 CONECT 2113 2112 CONECT 2114 2111 2115 CONECT 2115 2114 2116 CONECT 2116 2115 2117 CONECT 2117 2116 CONECT 2118 2110 CONECT 2192 2193 2407 2408 2409 CONECT 2193 2192 2194 2390 2406 CONECT 2194 2193 2195 2196 CONECT 2195 2194 CONECT 2196 2194 2197 2389 CONECT 2197 2196 2198 2370 2388 CONECT 2198 2197 2199 2200 CONECT 2199 2198 CONECT 2200 2198 2201 2369 CONECT 2201 2200 2202 2357 2368 CONECT 2202 2201 2203 2204 CONECT 2203 2202 CONECT 2204 2202 2205 2356 CONECT 2205 2204 2206 2347 2355 CONECT 2206 2205 2207 2208 CONECT 2207 2206 CONECT 2208 2206 2209 2346 CONECT 2209 2208 2210 2332 2345 CONECT 2210 2209 2211 2212 CONECT 2211 2210 CONECT 2212 2210 2213 2331 CONECT 2213 2212 2214 2325 2330 CONECT 2214 2213 2215 2216 CONECT 2215 2214 CONECT 2216 2214 2217 2324 CONECT 2217 2216 2218 2305 2323 CONECT 2218 2217 2219 2220 CONECT 2219 2218 CONECT 2220 2218 2221 2304 CONECT 2221 2220 2222 2290 2303 CONECT 2222 2221 2223 2224 CONECT 2223 2222 CONECT 2224 2222 2225 2289 CONECT 2225 2224 2226 2278 2288 CONECT 2226 2225 2227 2228 CONECT 2227 2226 CONECT 2228 2226 2229 2277 CONECT 2229 2228 2230 2263 2276 CONECT 2230 2229 2231 2232 CONECT 2231 2230 CONECT 2232 2230 2233 2262 CONECT 2233 2232 2234 2252 2261 CONECT 2234 2233 2235 2236 CONECT 2235 2234 CONECT 2236 2234 2237 2251 CONECT 2237 2236 2238 2241 2250 CONECT 2238 2237 2239 2240 CONECT 2239 2238 CONECT 2240 2238 CONECT 2241 2237 2242 2248 2249 CONECT 2242 2241 2243 2246 2247 CONECT 2243 2242 2244 2245 CONECT 2244 2243 CONECT 2245 2243 CONECT 2246 2242 CONECT 2247 2242 CONECT 2248 2241 CONECT 2249 2241 CONECT 2250 2237 CONECT 2251 2236 CONECT 2252 2233 2253 2259 2260 CONECT 2253 2252 2254 2257 2258 CONECT 2254 2253 2255 2256 CONECT 2255 2254 CONECT 2256 2254 CONECT 2257 2253 CONECT 2258 2253 CONECT 2259 2252 CONECT 2260 2252 CONECT 2261 2233 CONECT 2262 2232 CONECT 2263 2229 2264 2274 2275 CONECT 2264 2263 2265 2269 2273 CONECT 2265 2264 2266 2267 2268 CONECT 2266 2265 CONECT 2267 2265 CONECT 2268 2265 CONECT 2269 2264 2270 2271 2272 CONECT 2270 2269 CONECT 2271 2269 CONECT 2272 2269 CONECT 2273 2264 CONECT 2274 2263 CONECT 2275 2263 CONECT 2276 2229 CONECT 2277 2228 CONECT 2278 2225 2279 2283 2287 CONECT 2279 2278 2280 2281 2282 CONECT 2280 2279 CONECT 2281 2279 CONECT 2282 2279 CONECT 2283 2278 2284 2285 2286 CONECT 2284 2283 CONECT 2285 2283 CONECT 2286 2283 CONECT 2287 2278 CONECT 2288 2225 CONECT 2289 2224 CONECT 2290 2221 2291 2301 2302 CONECT 2291 2290 2292 2296 2300 CONECT 2292 2291 2293 2294 2295 CONECT 2293 2292 CONECT 2294 2292 CONECT 2295 2292 CONECT 2296 2291 2297 2298 2299 CONECT 2297 2296 CONECT 2298 2296 CONECT 2299 2296 CONECT 2300 2291 CONECT 2301 2290 CONECT 2302 2290 CONECT 2303 2221 CONECT 2304 2220 CONECT 2305 2217 2306 2321 2322 CONECT 2306 2305 2307 2319 2320 CONECT 2307 2306 2308 2317 2318 CONECT 2308 2307 2309 2316 CONECT 2309 2308 2310 2313 CONECT 2310 2309 2311 2312 CONECT 2311 2310 CONECT 2312 2310 CONECT 2313 2309 2314 2315 CONECT 2314 2313 CONECT 2315 2313 CONECT 2316 2308 CONECT 2317 2307 CONECT 2318 2307 CONECT 2319 2306 CONECT 2320 2306 CONECT 2321 2305 CONECT 2322 2305 CONECT 2323 2217 CONECT 2324 2216 CONECT 2325 2213 2326 2328 2329 CONECT 2326 2325 2327 CONECT 2327 2326 CONECT 2328 2325 CONECT 2329 2325 CONECT 2330 2213 CONECT 2331 2212 CONECT 2332 2209 2333 2340 2344 CONECT 2333 2332 2334 2338 2339 CONECT 2334 2333 2335 2336 2337 CONECT 2335 2334 CONECT 2336 2334 CONECT 2337 2334 CONECT 2338 2333 CONECT 2339 2333 CONECT 2340 2332 2341 2342 2343 CONECT 2341 2340 CONECT 2342 2340 CONECT 2343 2340 CONECT 2344 2332 CONECT 2345 2209 CONECT 2346 2208 CONECT 2347 2205 2348 2350 2354 CONECT 2348 2347 2349 CONECT 2349 2348 CONECT 2350 2347 2351 2352 2353 CONECT 2351 2350 CONECT 2352 2350 CONECT 2353 2350 CONECT 2354 2347 CONECT 2355 2205 CONECT 2356 2204 CONECT 2357 2201 2358 2366 2367 CONECT 2358 2357 2359 2364 2365 CONECT 2359 2358 2360 CONECT 2360 2359 2361 2362 2363 CONECT 2361 2360 CONECT 2362 2360 CONECT 2363 2360 CONECT 2364 2358 CONECT 2365 2358 CONECT 2366 2357 CONECT 2367 2357 CONECT 2368 2201 CONECT 2369 2200 CONECT 2370 2197 2371 2386 2387 CONECT 2371 2370 2372 2384 2385 CONECT 2372 2371 2373 2382 2383 CONECT 2373 2372 2374 2381 CONECT 2374 2373 2375 2378 CONECT 2375 2374 2376 2377 CONECT 2376 2375 CONECT 2377 2375 CONECT 2378 2374 2379 2380 CONECT 2379 2378 CONECT 2380 2378 CONECT 2381 2373 CONECT 2382 2372 CONECT 2383 2372 CONECT 2384 2371 CONECT 2385 2371 CONECT 2386 2370 CONECT 2387 2370 CONECT 2388 2197 CONECT 2389 2196 CONECT 2390 2193 2391 2404 2405 CONECT 2391 2390 2392 2402 2403 CONECT 2392 2391 2393 2400 2401 CONECT 2393 2392 2394 2398 2399 CONECT 2394 2393 2395 2396 2397 CONECT 2395 2394 CONECT 2396 2394 CONECT 2397 2394 CONECT 2398 2393 CONECT 2399 2393 CONECT 2400 2392 CONECT 2401 2392 CONECT 2402 2391 CONECT 2403 2391 CONECT 2404 2390 CONECT 2405 2390 CONECT 2406 2193 CONECT 2407 2192 CONECT 2408 2192 CONECT 2409 2192 MASTER 0 0 0 0 0 0 0 0 2406 3 284 18 END
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2xs8
RCSB PDB
PDBbind
18-mer
2y9q
RCSB PDB
PDBbind
18-mer
3c3q
RCSB PDB
PDBbind
18-mer
3cfv
RCSB PDB
PDBbind
18-mer
3isw
RCSB PDB
PDBbind
18-mer
3iux
RCSB PDB
PDBbind
18-mer
3kl8
RCSB PDB
PDBbind
18-mer
3l6x
RCSB PDB
PDBbind
18-mer
3pdh
RCSB PDB
PDBbind
18-mer
3rtx
RCSB PDB
PDBbind
18-mer
3uat
RCSB PDB
PDBbind
18-mer
3v31
RCSB PDB
PDBbind
18-mer
3v43
RCSB PDB
PDBbind
18-mer
4aom
RCSB PDB
PDBbind
18-mer
4ejf
RCSB PDB
PDBbind
18-mer
4glr
RCSB PDB
PDBbind
18-mer
4jk5
RCSB PDB
PDBbind
18-mer
4jk6
RCSB PDB
PDBbind
18-mer
4mzl
RCSB PDB
PDBbind
18-mer
4pn1
RCSB PDB
PDBbind
18-mer
4pz8
RCSB PDB
PDBbind
18-mer
4ris
RCSB PDB
PDBbind
18-mer
4rqi
RCSB PDB
PDBbind
18-mer
4wrq
RCSB PDB
PDBbind
18-mer
4xh2
RCSB PDB
PDBbind
18-mer
5b4w
RCSB PDB
PDBbind
18-mer
5e2v
RCSB PDB
PDBbind
18-mer
5e2w
RCSB PDB
PDBbind
18-mer
5jek
RCSB PDB
PDBbind
18-mer
5mk1
RCSB PDB
PDBbind
18-mer
5mk3
RCSB PDB
PDBbind
18-mer
5ods
RCSB PDB
PDBbind
18-mer
5sve
RCSB PDB
PDBbind
18-mer
5t90
RCSB PDB
PDBbind
18-mer
5uwi
RCSB PDB
PDBbind
18-mer
5v3r
RCSB PDB
PDBbind
18-mer
5wa1
RCSB PDB
PDBbind
18-mer
5yc2
RCSB PDB
PDBbind
18-mer
5yv5
RCSB PDB
PDBbind
18-mer
6bhd
RCSB PDB
PDBbind
18-mer
6bhe
RCSB PDB
PDBbind
18-mer
6bhh
RCSB PDB
PDBbind
18-mer
6h41
RCSB PDB
PDBbind
18-mer
6jjz
RCSB PDB
PDBbind
18-mer
6iqg
RCSB PDB
PDBbind
18-mer
6esa
RCSB PDB
PDBbind
18-mer
6erw
RCSB PDB
PDBbind
18-mer
6erv
RCSB PDB
PDBbind
18-mer
6eru
RCSB PDB
PDBbind
18-mer
6em7
RCSB PDB
PDBbind
18-mer
6em6
RCSB PDB
PDBbind
18-mer
6eh2
RCSB PDB
PDBbind
18-mer
6egw
RCSB PDB
PDBbind
18-mer
5y53
RCSB PDB
PDBbind
18-mer
5szc
RCSB PDB
PDBbind
18-mer
5szb
RCSB PDB
PDBbind
18-mer
5ous
RCSB PDB
PDBbind
18-mer
5oua
RCSB PDB
PDBbind
18-mer
5ol3
RCSB PDB
PDBbind
18-mer
5ok3
RCSB PDB
PDBbind
18-mer
5o0e
RCSB PDB
PDBbind
18-mer
5nw8
RCSB PDB
PDBbind
18-mer
6ema
RCSB PDB
PDBbind
18-mer
6sen
RCSB PDB
PDBbind
18-mer
6seo
RCSB PDB
PDBbind
18-mer
Entry Information
PDB ID
5xyf
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
TERF1-interacting nuclear factor 2
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
2.2(Å)
Affinity (Kd/Ki/IC50)
Kd=1.05uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Cell Res. Vol. 27: pp. 1485-1502
Ligand Properties
Formula
C
6
3
H
1
1
9
N
1
9
O
1
9
S
Molecular Weight
1478.800
Exact Mass
1477.870
No. of atoms
221
No. of bonds
220
Polar Surface Area
685.06
LOGP Value
0.16 (
Computed with XLOGP3
)
-3.55 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 63
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC(=O)O)CCC(=O)O)CC(C)C)C(C)C)CC(C)C)CCC[NH+]=C(N)N)CO)[C@H](CC)C)[C@H](O)C)CCSC)CCC[NH+]=C(N)N)[NH3+]
InChI String
InChI=1S/C63H115N19O19S/c1-11-34(8)48(81-60(99)49(35(9)84)82-54(93)40(23-27-102-10)75-51(90)37(17-14-25-70-62(66)67)72-50(89)36(65)16-12-13-24-64)59(98)79-44(30-83)57(96)73-38(18-15-26-71-63(68)69)52(91)77-43(29-32(4)5)56(95)80-47(33(6)7)58(97)78-42(28-31(2)3)55(94)74-39(19-21-45(85)86)53(92)76-41(61(100)101)20-22-46(87)88/h31-44,47-49,83-84H,11-30,64-65H2,1-10H3,(H,72,89)(H,73,96)(H,74,94)(H,75,90)(H,76,92)(H,77,91)(H,78,97)(H,79,98)(H,80,95)(H,81,99)(H,82,93)(H,85,86)(H,87,88)(H,100,101)(H4,66,67,70)(H4,68,69,71)/p+4/t34-,35+,36-,37-,38-,39-,40-,41-,42-,43-,44-,47-,48-,49-/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):
Q9BSI4
Q96AP0
Q15554
Entrez Gene ID
NCBI Entrez Gene ID:
26277
65057
7014
ASD
Information of known allosteric effects of PDB entries
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