Browse entries in the PDBbind-CN Database
HEADER 5LSO_COMPLEX COMPND 5LSO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 103 ALA MET GLY LYS CYS PRO THR LYS VAL VAL LEU LEU ARG SEQRES 2 A 103 ASN MET VAL GLY ALA GLY GLU VAL ASP GLU ASP LEU GLU SEQRES 3 A 103 VAL GLU THR LYS GLU GLU CYS GLU LYS TYR GLY LYS VAL SEQRES 4 A 103 GLY LYS CYS VAL ILE PHE GLU ILE PRO GLY ALA PRO ASP SEQRES 5 A 103 ASP GLU ALA VAL ARG ILE PHE LEU GLU PHE GLU ARG VAL SEQRES 6 A 103 GLU SER ALA ILE LYS ALA VAL VAL ASP LEU ASN GLY ARG SEQRES 7 A 103 TYR PHE GLY GLY ARG VAL VAL LYS ALA CYS PHE TYR ASN SEQRES 8 A 103 LEU ASP LYS PHE ARG VAL LEU ASP LEU ALA GLU GLN HET LYS A 198 108 ATOM 1 N ALA A 298 -25.880 -21.632 7.584 1.00 39.88 N ATOM 2 CA ALA A 298 -25.836 -20.883 8.899 1.00 40.39 C ATOM 3 C ALA A 298 -24.770 -19.775 8.942 1.00 34.48 C ATOM 4 O ALA A 298 -25.129 -18.609 9.060 1.00 32.60 O ATOM 5 CB ALA A 298 -25.665 -21.839 10.084 1.00 42.42 C ATOM 6 HN3 ALA A 298 -24.958 -22.081 7.411 1.00 0.00 H ATOM 7 HN2 ALA A 298 -26.093 -20.966 6.814 1.00 0.00 H ATOM 8 HN1 ALA A 298 -26.620 -22.362 7.627 1.00 0.00 H ATOM 9 N MET A 299 -23.485 -20.131 8.827 1.00 31.78 N ATOM 10 CA MET A 299 -22.390 -19.126 8.748 1.00 32.01 C ATOM 11 C MET A 299 -22.555 -18.115 7.584 1.00 30.07 C ATOM 12 O MET A 299 -22.316 -16.910 7.748 1.00 30.16 O ATOM 13 CB MET A 299 -20.998 -19.794 8.637 1.00 34.97 C ATOM 14 CG MET A 299 -19.873 -18.819 8.281 1.00 34.60 C ATOM 15 SD MET A 299 -18.567 -19.502 7.309 1.00 33.43 S ATOM 16 CE MET A 299 -17.694 -20.556 8.460 1.00 35.17 C ATOM 17 H MET A 299 -23.244 -21.142 8.792 1.00 0.00 H ATOM 18 N GLY A 300 -22.983 -18.614 6.432 1.00 29.19 N ATOM 19 CA GLY A 300 -23.319 -17.760 5.289 1.00 31.30 C ATOM 20 C GLY A 300 -24.369 -16.672 5.480 1.00 32.25 C ATOM 21 O GLY A 300 -24.405 -15.732 4.683 1.00 31.12 O ATOM 22 H GLY A 300 -23.083 -19.645 6.337 1.00 0.00 H ATOM 23 N LYS A 301 -25.207 -16.785 6.518 1.00 30.85 N ATOM 24 CA LYS A 301 -26.176 -15.734 6.858 1.00 32.44 C ATOM 25 C LYS A 301 -25.650 -14.697 7.858 1.00 30.49 C ATOM 26 O LYS A 301 -26.344 -13.702 8.076 1.00 30.91 O ATOM 27 CB LYS A 301 -27.494 -16.313 7.413 1.00 33.96 C ATOM 28 CG LYS A 301 -28.058 -17.527 6.685 1.00 39.79 C ATOM 29 CD LYS A 301 -28.290 -17.304 5.189 1.00 45.90 C ATOM 30 CE LYS A 301 -29.557 -16.504 4.904 1.00 50.84 C ATOM 31 NZ LYS A 301 -30.724 -17.430 4.786 1.00 55.81 N ATOM 32 HZ1 LYS A 301 -30.557 -18.099 4.008 1.00 0.00 H ATOM 33 HZ2 LYS A 301 -30.840 -17.954 5.677 1.00 0.00 H ATOM 34 HZ3 LYS A 301 -31.584 -16.879 4.592 1.00 0.00 H ATOM 35 H LYS A 301 -25.171 -17.644 7.103 1.00 0.00 H ATOM 36 N CYS A 302 -24.502 -14.924 8.514 1.00 27.71 N ATOM 37 CA CYS A 302 -24.006 -13.950 9.508 1.00 29.86 C ATOM 38 C CYS A 302 -23.160 -12.872 8.817 1.00 25.99 C ATOM 39 O CYS A 302 -22.107 -13.202 8.294 1.00 26.53 O ATOM 40 CB CYS A 302 -23.161 -14.630 10.605 1.00 35.69 C ATOM 41 SG CYS A 302 -24.011 -16.033 11.393 1.00 45.49 S ATOM 42 H CYS A 302 -23.959 -15.790 8.322 1.00 0.00 H ATOM 43 N PRO A 303 -23.577 -11.591 8.854 1.00 23.62 N ATOM 44 CA PRO A 303 -22.850 -10.555 8.127 1.00 23.00 C ATOM 45 C PRO A 303 -21.462 -10.295 8.639 1.00 21.78 C ATOM 46 O PRO A 303 -21.302 -10.097 9.843 1.00 21.57 O ATOM 47 CB PRO A 303 -23.704 -9.310 8.334 1.00 23.26 C ATOM 48 CG PRO A 303 -25.064 -9.853 8.586 1.00 24.52 C ATOM 49 CD PRO A 303 -24.787 -11.029 9.473 1.00 25.31 C ATOM 50 N THR A 304 -20.480 -10.344 7.723 1.00 20.05 N ATOM 51 CA THR A 304 -19.088 -9.990 7.970 1.00 17.34 C ATOM 52 C THR A 304 -18.625 -9.195 6.794 1.00 15.78 C ATOM 53 O THR A 304 -19.358 -9.024 5.824 1.00 15.64 O ATOM 54 CB THR A 304 -18.200 -11.236 8.015 1.00 19.17 C ATOM 55 OG1 THR A 304 -18.159 -11.843 6.696 1.00 20.39 O ATOM 56 CG2 THR A 304 -18.717 -12.272 9.059 1.00 18.42 C ATOM 57 HG1 THR A 304 -17.585 -12.649 6.723 1.00 0.00 H ATOM 58 H THR A 304 -20.733 -10.659 6.764 1.00 0.00 H ATOM 59 N LYS A 305 -17.388 -8.720 6.862 1.00 15.33 N ATOM 60 CA LYS A 305 -16.732 -8.063 5.706 1.00 15.51 C ATOM 61 C LYS A 305 -16.221 -9.008 4.615 1.00 14.38 C ATOM 62 O LYS A 305 -15.729 -8.542 3.606 1.00 13.44 O ATOM 63 CB LYS A 305 -15.614 -7.119 6.127 1.00 16.07 C ATOM 64 CG LYS A 305 -14.379 -7.743 6.745 1.00 16.71 C ATOM 65 CD LYS A 305 -13.487 -6.633 7.267 1.00 17.23 C ATOM 66 CE LYS A 305 -12.404 -7.170 8.133 1.00 18.51 C ATOM 67 NZ LYS A 305 -11.493 -6.052 8.484 1.00 19.78 N ATOM 68 HZ1 LYS A 305 -11.089 -5.649 7.614 1.00 0.00 H ATOM 69 HZ2 LYS A 305 -12.027 -5.318 8.992 1.00 0.00 H ATOM 70 HZ3 LYS A 305 -10.727 -6.408 9.091 1.00 0.00 H ATOM 71 H LYS A 305 -16.862 -8.811 7.754 1.00 0.00 H ATOM 72 N VAL A 306 -16.368 -10.311 4.817 1.00 13.84 N ATOM 73 CA VAL A 306 -15.924 -11.280 3.863 1.00 14.69 C ATOM 74 C VAL A 306 -17.120 -11.843 3.124 1.00 15.24 C ATOM 75 O VAL A 306 -18.079 -12.384 3.749 1.00 15.72 O ATOM 76 CB VAL A 306 -15.139 -12.417 4.503 1.00 14.42 C ATOM 77 CG1 VAL A 306 -14.658 -13.378 3.436 1.00 14.48 C ATOM 78 CG2 VAL A 306 -13.966 -11.855 5.263 1.00 14.71 C ATOM 79 H VAL A 306 -16.819 -10.638 5.695 1.00 0.00 H ATOM 80 N VAL A 307 -17.060 -11.707 1.807 1.00 14.89 N ATOM 81 CA VAL A 307 -18.075 -12.295 0.928 1.00 15.91 C ATOM 82 C VAL A 307 -17.508 -13.569 0.274 1.00 16.33 C ATOM 83 O VAL A 307 -16.352 -13.549 -0.192 1.00 18.62 O ATOM 84 CB VAL A 307 -18.542 -11.257 -0.101 1.00 15.96 C ATOM 85 CG1 VAL A 307 -19.493 -11.860 -1.135 1.00 15.94 C ATOM 86 CG2 VAL A 307 -19.257 -10.128 0.649 1.00 17.62 C ATOM 87 H VAL A 307 -16.274 -11.170 1.387 1.00 0.00 H ATOM 88 N LEU A 308 -18.313 -14.646 0.245 1.00 14.98 N ATOM 89 CA LEU A 308 -18.053 -15.803 -0.595 1.00 15.24 C ATOM 90 C LEU A 308 -18.961 -15.854 -1.820 1.00 14.86 C ATOM 91 O LEU A 308 -20.218 -15.800 -1.686 1.00 13.02 O ATOM 92 CB LEU A 308 -18.198 -17.098 0.181 1.00 15.64 C ATOM 93 CG LEU A 308 -18.222 -18.428 -0.590 1.00 16.59 C ATOM 94 CD1 LEU A 308 -16.923 -18.688 -1.357 1.00 16.21 C ATOM 95 CD2 LEU A 308 -18.487 -19.582 0.388 1.00 16.56 C ATOM 96 H LEU A 308 -19.159 -14.651 0.850 1.00 0.00 H ATOM 97 N LEU A 309 -18.313 -16.044 -2.990 1.00 14.04 N ATOM 98 CA LEU A 309 -18.968 -16.342 -4.225 1.00 15.44 C ATOM 99 C LEU A 309 -18.732 -17.776 -4.671 1.00 14.97 C ATOM 100 O LEU A 309 -17.606 -18.206 -4.831 1.00 16.56 O ATOM 101 CB LEU A 309 -18.548 -15.375 -5.349 1.00 16.22 C ATOM 102 CG LEU A 309 -18.666 -13.899 -5.029 1.00 16.55 C ATOM 103 CD1 LEU A 309 -18.044 -13.076 -6.144 1.00 17.66 C ATOM 104 CD2 LEU A 309 -20.094 -13.447 -4.762 1.00 16.62 C ATOM 105 H LEU A 309 -17.276 -15.969 -2.992 1.00 0.00 H ATOM 106 N ARG A 310 -19.822 -18.469 -4.968 1.00 15.97 N ATOM 107 CA ARG A 310 -19.840 -19.818 -5.523 1.00 16.51 C ATOM 108 C ARG A 310 -20.446 -19.851 -6.910 1.00 17.46 C ATOM 109 O ARG A 310 -21.197 -18.957 -7.312 1.00 19.22 O ATOM 110 CB ARG A 310 -20.618 -20.739 -4.608 1.00 17.55 C ATOM 111 CG ARG A 310 -19.762 -21.286 -3.464 1.00 17.84 C ATOM 112 CD ARG A 310 -20.437 -20.980 -2.161 1.00 19.29 C ATOM 113 NE ARG A 310 -21.521 -21.873 -1.882 1.00 19.85 N ATOM 114 CZ ARG A 310 -22.668 -21.610 -1.260 1.00 22.42 C ATOM 115 NH1 ARG A 310 -23.073 -20.402 -0.923 1.00 25.15 N ATOM 116 NH2 ARG A 310 -23.485 -22.613 -1.057 1.00 25.05 N ATOM 117 HE ARG A 310 -21.396 -22.853 -2.207 1.00 0.00 H ATOM 118 HH12 ARG A 310 -23.984 -20.276 -0.438 1.00 0.00 H ATOM 119 HH11 ARG A 310 -22.482 -19.575 -1.142 1.00 0.00 H ATOM 120 HH22 ARG A 310 -24.393 -22.455 -0.575 1.00 0.00 H ATOM 121 HH21 ARG A 310 -23.226 -23.568 -1.378 1.00 0.00 H ATOM 122 H ARG A 310 -20.740 -18.014 -4.791 1.00 0.00 H ATOM 123 N ASN A 311 -20.134 -20.921 -7.642 1.00 18.48 N ATOM 124 CA ASN A 311 -20.693 -21.148 -8.984 1.00 17.66 C ATOM 125 C ASN A 311 -20.258 -20.126 -10.037 1.00 17.09 C ATOM 126 O ASN A 311 -20.864 -20.034 -11.099 1.00 18.99 O ATOM 127 CB ASN A 311 -22.250 -21.256 -8.900 1.00 17.68 C ATOM 128 CG ASN A 311 -22.882 -22.020 -10.086 1.00 16.87 C ATOM 129 OD1 ASN A 311 -23.883 -21.573 -10.700 1.00 17.46 O ATOM 130 ND2 ASN A 311 -22.336 -23.146 -10.393 1.00 16.00 N ATOM 131 HD22 ASN A 311 -21.508 -23.484 -9.862 1.00 0.00 H ATOM 132 HD21 ASN A 311 -22.723 -23.717 -11.172 1.00 0.00 H ATOM 133 H ASN A 311 -19.472 -21.620 -7.250 1.00 0.00 H ATOM 134 N MET A 312 -19.214 -19.369 -9.766 1.00 16.74 N ATOM 135 CA MET A 312 -18.699 -18.420 -10.742 1.00 17.33 C ATOM 136 C MET A 312 -18.150 -19.134 -11.995 1.00 16.40 C ATOM 137 O MET A 312 -18.348 -18.679 -13.108 1.00 14.33 O ATOM 138 CB MET A 312 -17.606 -17.554 -10.145 1.00 17.65 C ATOM 139 CG MET A 312 -18.069 -16.576 -9.072 1.00 19.82 C ATOM 140 SD MET A 312 -18.691 -15.014 -9.689 1.00 23.06 S ATOM 141 CE MET A 312 -17.163 -14.198 -10.191 1.00 20.95 C ATOM 142 H MET A 312 -18.750 -19.451 -8.839 1.00 0.00 H ATOM 143 N VAL A 313 -17.430 -20.211 -11.774 1.00 15.54 N ATOM 144 CA VAL A 313 -16.923 -21.054 -12.833 1.00 16.63 C ATOM 145 C VAL A 313 -16.991 -22.466 -12.343 1.00 16.52 C ATOM 146 O VAL A 313 -17.110 -22.703 -11.143 1.00 18.19 O ATOM 147 CB VAL A 313 -15.467 -20.685 -13.254 1.00 16.53 C ATOM 148 CG1 VAL A 313 -15.421 -19.311 -13.895 1.00 16.23 C ATOM 149 CG2 VAL A 313 -14.495 -20.723 -12.054 1.00 18.03 C ATOM 150 H VAL A 313 -17.215 -20.469 -10.790 1.00 0.00 H ATOM 151 N GLY A 314 -16.866 -23.409 -13.268 1.00 17.76 N ATOM 152 CA GLY A 314 -16.919 -24.851 -12.932 1.00 17.30 C ATOM 153 C GLY A 314 -15.633 -25.367 -12.358 1.00 17.09 C ATOM 154 O GLY A 314 -14.613 -24.680 -12.378 1.00 17.44 O ATOM 155 H GLY A 314 -16.727 -23.127 -14.259 1.00 0.00 H ATOM 156 N ALA A 315 -15.671 -26.589 -11.858 1.00 19.07 N ATOM 157 CA ALA A 315 -14.483 -27.269 -11.362 1.00 20.52 C ATOM 158 C ALA A 315 -13.483 -27.377 -12.492 1.00 21.99 C ATOM 159 O ALA A 315 -13.848 -27.629 -13.637 1.00 26.24 O ATOM 160 CB ALA A 315 -14.843 -28.653 -10.800 1.00 21.11 C ATOM 161 H ALA A 315 -16.585 -27.084 -11.817 1.00 0.00 H ATOM 162 N GLY A 316 -12.212 -27.173 -12.183 1.00 23.22 N ATOM 163 CA GLY A 316 -11.160 -27.154 -13.192 1.00 24.78 C ATOM 164 C GLY A 316 -11.204 -26.019 -14.207 1.00 25.69 C ATOM 165 O GLY A 316 -10.500 -26.079 -15.211 1.00 25.41 O ATOM 166 H GLY A 316 -11.955 -27.021 -11.187 1.00 0.00 H ATOM 167 N GLU A 317 -11.959 -24.952 -13.919 1.00 27.44 N ATOM 168 CA GLU A 317 -12.111 -23.823 -14.851 1.00 29.10 C ATOM 169 C GLU A 317 -11.660 -22.495 -14.267 1.00 27.83 C ATOM 170 O GLU A 317 -12.160 -21.447 -14.688 1.00 25.80 O ATOM 171 CB GLU A 317 -13.576 -23.713 -15.282 1.00 33.75 C ATOM 172 CG GLU A 317 -14.130 -25.028 -15.834 1.00 38.17 C ATOM 173 CD GLU A 317 -13.879 -25.227 -17.314 1.00 44.15 C ATOM 174 OE1 GLU A 317 -13.479 -24.297 -18.046 1.00 53.89 O ATOM 175 OE2 GLU A 317 -14.090 -26.360 -17.776 1.00 52.69 O ATOM 176 H GLU A 317 -12.455 -24.920 -13.006 1.00 0.00 H ATOM 177 N VAL A 318 -10.749 -22.519 -13.280 1.00 25.76 N ATOM 178 CA VAL A 318 -10.204 -21.290 -12.764 1.00 26.00 C ATOM 179 C VAL A 318 -9.274 -20.734 -13.874 1.00 25.06 C ATOM 180 O VAL A 318 -8.259 -21.339 -14.206 1.00 27.08 O ATOM 181 CB VAL A 318 -9.461 -21.468 -11.426 1.00 26.74 C ATOM 182 CG1 VAL A 318 -8.827 -20.138 -10.972 1.00 29.76 C ATOM 183 CG2 VAL A 318 -10.404 -21.955 -10.358 1.00 26.52 C ATOM 184 H VAL A 318 -10.436 -23.429 -12.887 1.00 0.00 H ATOM 185 N ASP A 319 -9.627 -19.580 -14.429 1.00 22.49 N ATOM 186 CA ASP A 319 -8.763 -18.882 -15.386 1.00 22.09 C ATOM 187 C ASP A 319 -8.024 -17.713 -14.717 1.00 23.53 C ATOM 188 O ASP A 319 -8.335 -17.312 -13.612 1.00 21.91 O ATOM 189 CB ASP A 319 -9.572 -18.424 -16.616 1.00 20.92 C ATOM 190 CG ASP A 319 -10.718 -17.486 -16.261 1.00 19.16 C ATOM 191 OD1 ASP A 319 -10.469 -16.301 -16.148 1.00 18.35 O ATOM 192 OD2 ASP A 319 -11.864 -17.940 -16.111 1.00 17.93 O ATOM 193 H ASP A 319 -10.544 -19.159 -14.177 1.00 0.00 H ATOM 194 N GLU A 320 -7.055 -17.142 -15.426 1.00 26.97 N ATOM 195 CA GLU A 320 -6.208 -16.083 -14.866 1.00 26.33 C ATOM 196 C GLU A 320 -6.931 -14.732 -14.766 1.00 23.82 C ATOM 197 O GLU A 320 -6.443 -13.828 -14.124 1.00 23.30 O ATOM 198 CB GLU A 320 -4.878 -15.974 -15.681 1.00 31.10 C ATOM 199 CG GLU A 320 -4.980 -15.315 -17.067 1.00 32.94 C ATOM 200 CD GLU A 320 -3.654 -15.294 -17.845 1.00 37.25 C ATOM 201 OE1 GLU A 320 -2.591 -15.618 -17.273 1.00 46.40 O ATOM 202 OE2 GLU A 320 -3.666 -14.986 -19.054 1.00 35.52 O ATOM 203 H GLU A 320 -6.893 -17.455 -16.405 1.00 0.00 H ATOM 204 N ASP A 321 -8.047 -14.560 -15.464 1.00 22.96 N ATOM 205 CA ASP A 321 -8.749 -13.263 -15.481 1.00 22.56 C ATOM 206 C ASP A 321 -9.893 -13.190 -14.468 1.00 24.31 C ATOM 207 O ASP A 321 -10.564 -12.174 -14.339 1.00 22.49 O ATOM 208 CB ASP A 321 -9.293 -12.979 -16.868 1.00 22.71 C ATOM 209 CG ASP A 321 -8.184 -12.830 -17.926 1.00 22.75 C ATOM 210 OD1 ASP A 321 -7.104 -12.230 -17.641 1.00 24.33 O ATOM 211 OD2 ASP A 321 -8.448 -13.274 -19.063 1.00 21.48 O ATOM 212 H ASP A 321 -8.434 -15.356 -16.010 1.00 0.00 H ATOM 213 N LEU A 322 -10.108 -14.284 -13.768 1.00 23.00 N ATOM 214 CA LEU A 322 -11.174 -14.352 -12.836 1.00 25.12 C ATOM 215 C LEU A 322 -11.027 -13.312 -11.698 1.00 24.61 C ATOM 216 O LEU A 322 -11.972 -12.584 -11.365 1.00 20.52 O ATOM 217 CB LEU A 322 -11.216 -15.800 -12.360 1.00 27.19 C ATOM 218 CG LEU A 322 -12.462 -16.341 -11.746 1.00 31.75 C ATOM 219 CD1 LEU A 322 -13.732 -16.028 -12.572 1.00 33.56 C ATOM 220 CD2 LEU A 322 -12.240 -17.839 -11.575 1.00 31.84 C ATOM 221 H LEU A 322 -9.488 -15.109 -13.900 1.00 0.00 H ATOM 222 N GLU A 323 -9.820 -13.185 -11.165 1.00 25.10 N ATOM 223 CA GLU A 323 -9.588 -12.252 -10.074 1.00 26.21 C ATOM 224 C GLU A 323 -9.865 -10.799 -10.468 1.00 24.56 C ATOM 225 O GLU A 323 -10.528 -10.073 -9.711 1.00 23.50 O ATOM 226 CB GLU A 323 -8.159 -12.369 -9.516 1.00 31.65 C ATOM 227 CG GLU A 323 -8.043 -11.748 -8.133 1.00 38.02 C ATOM 228 CD GLU A 323 -6.613 -11.618 -7.638 1.00 42.18 C ATOM 229 OE1 GLU A 323 -5.829 -12.542 -7.926 1.00 43.48 O ATOM 230 OE2 GLU A 323 -6.303 -10.612 -6.939 1.00 41.46 O ATOM 231 H GLU A 323 -9.032 -13.757 -11.530 1.00 0.00 H ATOM 232 N VAL A 324 -9.335 -10.377 -11.622 1.00 20.05 N ATOM 233 CA VAL A 324 -9.489 -9.007 -12.073 1.00 19.33 C ATOM 234 C VAL A 324 -10.930 -8.679 -12.374 1.00 18.76 C ATOM 235 O VAL A 324 -11.380 -7.623 -11.982 1.00 17.24 O ATOM 236 CB VAL A 324 -8.553 -8.628 -13.266 1.00 19.58 C ATOM 237 CG1 VAL A 324 -8.981 -9.257 -14.595 1.00 20.10 C ATOM 238 CG2 VAL A 324 -8.436 -7.134 -13.437 1.00 19.06 C ATOM 239 H VAL A 324 -8.800 -11.048 -12.210 1.00 0.00 H ATOM 240 N GLU A 325 -11.656 -9.586 -13.038 1.00 18.35 N ATOM 241 CA GLU A 325 -13.077 -9.334 -13.358 1.00 19.36 C ATOM 242 C GLU A 325 -13.923 -9.283 -12.106 1.00 18.88 C ATOM 243 O GLU A 325 -14.843 -8.518 -12.039 1.00 18.32 O ATOM 244 CB GLU A 325 -13.668 -10.395 -14.296 1.00 20.35 C ATOM 245 CG GLU A 325 -13.387 -10.150 -15.752 1.00 22.11 C ATOM 246 CD GLU A 325 -13.964 -11.229 -16.650 1.00 24.64 C ATOM 247 OE1 GLU A 325 -15.150 -11.524 -16.546 1.00 27.78 O ATOM 248 OE2 GLU A 325 -13.240 -11.814 -17.474 1.00 25.95 O ATOM 249 H GLU A 325 -11.215 -10.480 -13.333 1.00 0.00 H ATOM 250 N THR A 326 -13.637 -10.147 -11.150 1.00 20.65 N ATOM 251 CA THR A 326 -14.379 -10.198 -9.904 1.00 21.20 C ATOM 252 C THR A 326 -14.126 -8.913 -9.099 1.00 23.48 C ATOM 253 O THR A 326 -15.043 -8.161 -8.808 1.00 21.92 O ATOM 254 CB THR A 326 -13.987 -11.463 -9.121 1.00 22.19 C ATOM 255 OG1 THR A 326 -14.288 -12.634 -9.904 1.00 21.31 O ATOM 256 CG2 THR A 326 -14.715 -11.528 -7.819 1.00 23.70 C ATOM 257 HG1 THR A 326 -13.779 -12.602 -10.752 1.00 0.00 H ATOM 258 H THR A 326 -12.853 -10.814 -11.295 1.00 0.00 H ATOM 259 N LYS A 327 -12.872 -8.652 -8.789 1.00 25.40 N ATOM 260 CA LYS A 327 -12.491 -7.509 -7.969 1.00 30.49 C ATOM 261 C LYS A 327 -12.920 -6.159 -8.545 1.00 31.77 C ATOM 262 O LYS A 327 -13.441 -5.337 -7.799 1.00 32.65 O ATOM 263 CB LYS A 327 -10.966 -7.519 -7.723 1.00 35.97 C ATOM 264 CG LYS A 327 -10.499 -6.534 -6.667 1.00 40.16 C ATOM 265 CD LYS A 327 -9.079 -6.825 -6.195 1.00 44.30 C ATOM 266 CE LYS A 327 -8.758 -5.910 -5.019 1.00 50.36 C ATOM 267 NZ LYS A 327 -7.315 -5.887 -4.662 1.00 55.61 N ATOM 268 HZ1 LYS A 327 -7.008 -6.846 -4.404 1.00 0.00 H ATOM 269 HZ2 LYS A 327 -6.763 -5.553 -5.477 1.00 0.00 H ATOM 270 HZ3 LYS A 327 -7.169 -5.246 -3.856 1.00 0.00 H ATOM 271 H LYS A 327 -12.127 -9.285 -9.143 1.00 0.00 H ATOM 272 N GLU A 328 -12.750 -5.946 -9.849 1.00 30.21 N ATOM 273 CA GLU A 328 -13.062 -4.641 -10.449 1.00 33.23 C ATOM 274 C GLU A 328 -14.557 -4.319 -10.420 1.00 31.58 C ATOM 275 O GLU A 328 -14.943 -3.199 -10.124 1.00 34.92 O ATOM 276 CB GLU A 328 -12.560 -4.523 -11.908 1.00 37.36 C ATOM 277 CG GLU A 328 -11.094 -4.282 -12.126 1.00 39.27 C ATOM 278 CD GLU A 328 -10.559 -3.048 -11.391 1.00 48.17 C ATOM 279 OE1 GLU A 328 -11.250 -1.997 -11.329 1.00 49.55 O ATOM 280 OE2 GLU A 328 -9.436 -3.132 -10.841 1.00 50.08 O ATOM 281 H GLU A 328 -12.391 -6.714 -10.451 1.00 0.00 H ATOM 282 N GLU A 329 -15.403 -5.303 -10.677 1.00 28.63 N ATOM 283 CA GLU A 329 -16.845 -5.132 -10.493 1.00 24.07 C ATOM 284 C GLU A 329 -17.191 -4.882 -9.037 1.00 20.67 C ATOM 285 O GLU A 329 -17.897 -3.974 -8.737 1.00 19.52 O ATOM 286 CB GLU A 329 -17.597 -6.360 -11.015 1.00 23.57 C ATOM 287 CG GLU A 329 -19.101 -6.303 -10.835 1.00 24.91 C ATOM 288 CD GLU A 329 -19.838 -5.251 -11.681 1.00 24.16 C ATOM 289 OE1 GLU A 329 -21.039 -5.073 -11.449 1.00 21.94 O ATOM 290 OE2 GLU A 329 -19.259 -4.659 -12.602 1.00 24.24 O ATOM 291 H GLU A 329 -15.037 -6.215 -11.016 1.00 0.00 H ATOM 292 N CYS A 330 -16.693 -5.703 -8.142 1.00 21.42 N ATOM 293 CA CYS A 330 -17.093 -5.647 -6.737 1.00 23.68 C ATOM 294 C CYS A 330 -16.620 -4.406 -6.018 1.00 23.67 C ATOM 295 O CYS A 330 -17.195 -4.092 -4.968 1.00 21.73 O ATOM 296 CB CYS A 330 -16.682 -6.922 -5.954 1.00 24.38 C ATOM 297 SG CYS A 330 -17.594 -8.408 -6.478 1.00 27.78 S ATOM 298 H CYS A 330 -15.994 -6.413 -8.441 1.00 0.00 H ATOM 299 N GLU A 331 -15.605 -3.720 -6.567 1.00 24.71 N ATOM 300 CA GLU A 331 -15.134 -2.400 -6.067 1.00 26.80 C ATOM 301 C GLU A 331 -16.248 -1.373 -5.955 1.00 25.23 C ATOM 302 O GLU A 331 -16.137 -0.443 -5.184 1.00 22.88 O ATOM 303 CB GLU A 331 -14.099 -1.754 -6.997 1.00 31.19 C ATOM 304 CG GLU A 331 -12.737 -2.418 -7.187 1.00 34.15 C ATOM 305 CD GLU A 331 -11.774 -2.320 -6.003 1.00 37.65 C ATOM 306 OE1 GLU A 331 -12.149 -1.956 -4.860 1.00 30.99 O ATOM 307 OE2 GLU A 331 -10.579 -2.625 -6.274 1.00 46.84 O ATOM 308 H GLU A 331 -15.120 -4.135 -7.388 1.00 0.00 H ATOM 309 N LYS A 332 -17.312 -1.541 -6.729 1.00 23.83 N ATOM 310 CA LYS A 332 -18.473 -0.662 -6.631 1.00 24.76 C ATOM 311 C LYS A 332 -19.388 -0.874 -5.407 1.00 23.22 C ATOM 312 O LYS A 332 -20.213 -0.032 -5.163 1.00 23.63 O ATOM 313 CB LYS A 332 -19.329 -0.731 -7.905 1.00 26.11 C ATOM 314 CG LYS A 332 -20.296 -1.895 -7.964 1.00 28.09 C ATOM 315 CD LYS A 332 -20.651 -2.242 -9.398 1.00 30.90 C ATOM 316 CE LYS A 332 -21.832 -3.197 -9.435 1.00 32.51 C ATOM 317 NZ LYS A 332 -23.246 -2.825 -9.341 1.00 32.64 N ATOM 318 HZ1 LYS A 332 -23.417 -2.342 -8.436 1.00 0.00 H ATOM 319 HZ2 LYS A 332 -23.489 -2.188 -10.126 1.00 0.00 H ATOM 320 HZ3 LYS A 332 -23.833 -3.682 -9.394 1.00 0.00 H ATOM 321 H LYS A 332 -17.319 -2.317 -7.422 1.00 0.00 H ATOM 322 N TYR A 333 -19.270 -1.966 -4.658 1.00 20.24 N ATOM 323 CA TYR A 333 -19.999 -2.082 -3.401 1.00 19.58 C ATOM 324 C TYR A 333 -19.208 -1.415 -2.269 1.00 19.46 C ATOM 325 O TYR A 333 -19.754 -1.142 -1.225 1.00 17.17 O ATOM 326 CB TYR A 333 -20.267 -3.532 -3.071 1.00 19.28 C ATOM 327 CG TYR A 333 -20.917 -4.246 -4.209 1.00 19.20 C ATOM 328 CD1 TYR A 333 -22.202 -3.893 -4.623 1.00 17.74 C ATOM 329 CD2 TYR A 333 -20.236 -5.247 -4.909 1.00 17.73 C ATOM 330 CE1 TYR A 333 -22.813 -4.553 -5.677 1.00 17.68 C ATOM 331 CE2 TYR A 333 -20.833 -5.909 -5.966 1.00 18.13 C ATOM 332 CZ TYR A 333 -22.117 -5.563 -6.366 1.00 17.09 C ATOM 333 OH TYR A 333 -22.696 -6.180 -7.449 1.00 14.56 O ATOM 334 HH TYR A 333 -23.605 -5.813 -7.590 1.00 0.00 H ATOM 335 H TYR A 333 -18.653 -2.743 -4.971 1.00 0.00 H ATOM 336 N GLY A 334 -17.919 -1.182 -2.504 1.00 21.40 N ATOM 337 CA GLY A 334 -17.011 -0.565 -1.547 1.00 23.85 C ATOM 338 C GLY A 334 -15.585 -1.058 -1.772 1.00 24.45 C ATOM 339 O GLY A 334 -15.350 -1.900 -2.613 1.00 23.35 O ATOM 340 H GLY A 334 -17.536 -1.458 -3.430 1.00 0.00 H ATOM 341 N LYS A 335 -14.664 -0.526 -0.986 1.00 26.91 N ATOM 342 CA LYS A 335 -13.237 -0.827 -1.093 1.00 31.71 C ATOM 343 C LYS A 335 -12.997 -2.316 -0.831 1.00 28.14 C ATOM 344 O LYS A 335 -13.456 -2.830 0.186 1.00 27.28 O ATOM 345 CB LYS A 335 -12.445 -0.007 -0.060 1.00 39.73 C ATOM 346 CG LYS A 335 -12.477 1.517 -0.241 1.00 47.56 C ATOM 347 CD LYS A 335 -11.362 2.007 -1.168 1.00 55.05 C ATOM 348 CE LYS A 335 -9.975 1.909 -0.525 1.00 61.07 C ATOM 349 NZ LYS A 335 -8.934 1.480 -1.505 1.00 71.07 N ATOM 350 HZ1 LYS A 335 -9.183 0.545 -1.886 1.00 0.00 H ATOM 351 HZ2 LYS A 335 -8.885 2.170 -2.281 1.00 0.00 H ATOM 352 HZ3 LYS A 335 -8.011 1.427 -1.028 1.00 0.00 H ATOM 353 H LYS A 335 -14.971 0.143 -0.252 1.00 0.00 H ATOM 354 N VAL A 336 -12.285 -2.982 -1.735 1.00 24.04 N ATOM 355 CA VAL A 336 -11.937 -4.384 -1.575 1.00 25.18 C ATOM 356 C VAL A 336 -10.471 -4.481 -1.138 1.00 27.26 C ATOM 357 O VAL A 336 -9.566 -3.899 -1.781 1.00 27.00 O ATOM 358 CB VAL A 336 -12.118 -5.185 -2.882 1.00 24.85 C ATOM 359 CG1 VAL A 336 -11.827 -6.638 -2.628 1.00 26.38 C ATOM 360 CG2 VAL A 336 -13.525 -5.065 -3.422 1.00 27.04 C ATOM 361 H VAL A 336 -11.965 -2.481 -2.588 1.00 0.00 H ATOM 362 N GLY A 337 -10.245 -5.182 -0.027 1.00 27.69 N ATOM 363 CA GLY A 337 -8.909 -5.441 0.464 1.00 27.43 C ATOM 364 C GLY A 337 -8.236 -6.598 -0.256 1.00 27.25 C ATOM 365 O GLY A 337 -7.052 -6.528 -0.576 1.00 30.63 O ATOM 366 H GLY A 337 -11.057 -5.556 0.505 1.00 0.00 H ATOM 367 N LYS A 338 -8.967 -7.689 -0.460 1.00 27.16 N ATOM 368 CA LYS A 338 -8.377 -8.953 -0.926 1.00 27.02 C ATOM 369 C LYS A 338 -9.350 -9.707 -1.765 1.00 25.14 C ATOM 370 O LYS A 338 -10.564 -9.701 -1.472 1.00 23.93 O ATOM 371 CB LYS A 338 -8.034 -9.882 0.243 1.00 27.97 C ATOM 372 CG LYS A 338 -6.942 -9.435 1.189 1.00 29.42 C ATOM 373 CD LYS A 338 -6.839 -10.460 2.317 1.00 31.16 C ATOM 374 CE LYS A 338 -5.904 -10.000 3.433 1.00 31.61 C ATOM 375 NZ LYS A 338 -6.578 -9.034 4.360 1.00 31.41 N ATOM 376 HZ1 LYS A 338 -6.884 -8.197 3.824 1.00 0.00 H ATOM 377 HZ2 LYS A 338 -7.405 -9.491 4.794 1.00 0.00 H ATOM 378 HZ3 LYS A 338 -5.910 -8.746 5.103 1.00 0.00 H ATOM 379 H LYS A 338 -9.991 -7.648 -0.284 1.00 0.00 H ATOM 380 N CYS A 339 -8.812 -10.407 -2.759 1.00 25.88 N ATOM 381 CA CYS A 339 -9.572 -11.361 -3.555 1.00 26.97 C ATOM 382 C CYS A 339 -8.791 -12.687 -3.605 1.00 28.37 C ATOM 383 O CYS A 339 -7.664 -12.751 -4.143 1.00 31.63 O ATOM 384 CB CYS A 339 -9.833 -10.802 -4.941 1.00 27.29 C ATOM 385 SG CYS A 339 -10.948 -11.810 -5.953 1.00 34.85 S ATOM 386 H CYS A 339 -7.805 -10.267 -2.978 1.00 0.00 H ATOM 387 N VAL A 340 -9.392 -13.737 -3.035 1.00 27.62 N ATOM 388 CA VAL A 340 -8.783 -15.073 -2.935 1.00 25.50 C ATOM 389 C VAL A 340 -9.615 -16.109 -3.698 1.00 24.26 C ATOM 390 O VAL A 340 -10.836 -16.185 -3.542 1.00 23.06 O ATOM 391 CB VAL A 340 -8.638 -15.506 -1.450 1.00 25.55 C ATOM 392 CG1 VAL A 340 -8.004 -16.885 -1.343 1.00 25.23 C ATOM 393 CG2 VAL A 340 -7.798 -14.483 -0.694 1.00 26.31 C ATOM 394 H VAL A 340 -10.344 -13.602 -2.640 1.00 0.00 H ATOM 395 N ILE A 341 -8.948 -16.872 -4.562 1.00 23.05 N ATOM 396 CA ILE A 341 -9.577 -17.962 -5.336 1.00 22.73 C ATOM 397 C ILE A 341 -9.074 -19.298 -4.797 1.00 21.86 C ATOM 398 O ILE A 341 -7.872 -19.543 -4.742 1.00 22.12 O ATOM 399 CB ILE A 341 -9.329 -17.786 -6.866 1.00 22.29 C ATOM 400 CG1 ILE A 341 -9.731 -16.360 -7.246 1.00 23.84 C ATOM 401 CG2 ILE A 341 -10.118 -18.822 -7.662 1.00 20.86 C ATOM 402 CD1 ILE A 341 -9.810 -16.064 -8.727 1.00 26.55 C ATOM 403 H ILE A 341 -7.933 -16.691 -4.699 1.00 0.00 H ATOM 404 N PHE A 342 -9.987 -20.145 -4.365 1.00 22.12 N ATOM 405 CA PHE A 342 -9.626 -21.436 -3.772 1.00 24.01 C ATOM 406 C PHE A 342 -10.494 -22.530 -4.374 1.00 23.27 C ATOM 407 O PHE A 342 -11.708 -22.361 -4.470 1.00 23.39 O ATOM 408 CB PHE A 342 -9.898 -21.391 -2.295 1.00 24.62 C ATOM 409 CG PHE A 342 -9.721 -22.713 -1.605 1.00 26.94 C ATOM 410 CD1 PHE A 342 -8.496 -23.338 -1.594 1.00 29.90 C ATOM 411 CD2 PHE A 342 -10.769 -23.313 -0.931 1.00 30.07 C ATOM 412 CE1 PHE A 342 -8.313 -24.531 -0.913 1.00 30.38 C ATOM 413 CE2 PHE A 342 -10.596 -24.521 -0.268 1.00 30.69 C ATOM 414 CZ PHE A 342 -9.364 -25.123 -0.258 1.00 29.80 C ATOM 415 H PHE A 342 -10.992 -19.890 -4.447 1.00 0.00 H ATOM 416 N GLU A 343 -9.880 -23.636 -4.778 1.00 23.93 N ATOM 417 CA GLU A 343 -10.619 -24.755 -5.368 1.00 24.41 C ATOM 418 C GLU A 343 -10.592 -25.928 -4.443 1.00 23.44 C ATOM 419 O GLU A 343 -9.518 -26.396 -4.063 1.00 22.86 O ATOM 420 CB GLU A 343 -10.073 -25.158 -6.732 1.00 26.68 C ATOM 421 CG GLU A 343 -11.055 -26.054 -7.457 1.00 30.00 C ATOM 422 CD GLU A 343 -10.764 -26.263 -8.935 1.00 29.35 C ATOM 423 OE1 GLU A 343 -11.494 -27.107 -9.502 1.00 30.18 O ATOM 424 OE2 GLU A 343 -9.878 -25.597 -9.522 1.00 31.81 O ATOM 425 H GLU A 343 -8.848 -23.710 -4.673 1.00 0.00 H ATOM 426 N ILE A 344 -11.791 -26.358 -4.044 1.00 25.05 N ATOM 427 CA ILE A 344 -11.971 -27.541 -3.228 1.00 25.32 C ATOM 428 C ILE A 344 -11.828 -28.775 -4.136 1.00 27.86 C ATOM 429 O ILE A 344 -12.688 -29.005 -4.989 1.00 28.68 O ATOM 430 CB ILE A 344 -13.346 -27.577 -2.557 1.00 26.40 C ATOM 431 CG1 ILE A 344 -13.577 -26.303 -1.718 1.00 25.95 C ATOM 432 CG2 ILE A 344 -13.454 -28.829 -1.662 1.00 27.56 C ATOM 433 CD1 ILE A 344 -14.946 -26.223 -1.054 1.00 25.04 C ATOM 434 H ILE A 344 -12.633 -25.820 -4.332 1.00 0.00 H ATOM 435 N PRO A 345 -10.755 -29.585 -3.949 1.00 29.09 N ATOM 436 CA PRO A 345 -10.637 -30.861 -4.702 1.00 28.76 C ATOM 437 C PRO A 345 -11.833 -31.834 -4.504 1.00 29.18 C ATOM 438 O PRO A 345 -12.382 -31.955 -3.399 1.00 29.09 O ATOM 439 CB PRO A 345 -9.354 -31.496 -4.138 1.00 28.39 C ATOM 440 CG PRO A 345 -8.677 -30.422 -3.371 1.00 28.39 C ATOM 441 CD PRO A 345 -9.742 -29.496 -2.878 1.00 28.41 C ATOM 442 N GLY A 346 -12.250 -32.476 -5.588 1.00 30.76 N ATOM 443 CA GLY A 346 -13.300 -33.471 -5.532 1.00 30.83 C ATOM 444 C GLY A 346 -14.704 -32.951 -5.266 1.00 30.25 C ATOM 445 O GLY A 346 -15.629 -33.744 -5.111 1.00 31.03 O ATOM 446 H GLY A 346 -11.810 -32.258 -6.505 1.00 0.00 H ATOM 447 N ALA A 347 -14.878 -31.630 -5.221 1.00 27.63 N ATOM 448 CA ALA A 347 -16.169 -31.059 -4.939 1.00 24.20 C ATOM 449 C ALA A 347 -17.042 -31.051 -6.214 1.00 22.41 C ATOM 450 O ALA A 347 -16.528 -31.093 -7.325 1.00 21.68 O ATOM 451 CB ALA A 347 -16.018 -29.657 -4.364 1.00 24.99 C ATOM 452 H ALA A 347 -14.067 -31.001 -5.393 1.00 0.00 H ATOM 453 N PRO A 348 -18.359 -30.970 -6.045 1.00 21.18 N ATOM 454 CA PRO A 348 -19.217 -30.870 -7.208 1.00 22.33 C ATOM 455 C PRO A 348 -19.007 -29.572 -8.011 1.00 21.88 C ATOM 456 O PRO A 348 -18.509 -28.582 -7.488 1.00 21.90 O ATOM 457 CB PRO A 348 -20.649 -30.888 -6.614 1.00 22.30 C ATOM 458 CG PRO A 348 -20.523 -31.343 -5.211 1.00 21.98 C ATOM 459 CD PRO A 348 -19.126 -31.029 -4.778 1.00 21.71 C ATOM 460 N ASP A 349 -19.420 -29.603 -9.268 1.00 21.06 N ATOM 461 CA ASP A 349 -19.168 -28.528 -10.201 1.00 22.92 C ATOM 462 C ASP A 349 -19.647 -27.148 -9.732 1.00 23.28 C ATOM 463 O ASP A 349 -19.013 -26.122 -10.011 1.00 26.20 O ATOM 464 CB ASP A 349 -19.791 -28.872 -11.548 1.00 21.91 C ATOM 465 CG ASP A 349 -19.397 -27.885 -12.625 1.00 21.48 C ATOM 466 OD1 ASP A 349 -18.211 -27.896 -13.020 1.00 23.79 O ATOM 467 OD2 ASP A 349 -20.277 -27.102 -13.063 1.00 20.73 O ATOM 468 H ASP A 349 -19.948 -30.436 -9.598 1.00 0.00 H ATOM 469 N ASP A 350 -20.762 -27.137 -9.021 1.00 24.93 N ATOM 470 CA ASP A 350 -21.339 -25.896 -8.581 1.00 26.42 C ATOM 471 C ASP A 350 -20.834 -25.423 -7.204 1.00 24.61 C ATOM 472 O ASP A 350 -21.312 -24.413 -6.711 1.00 24.32 O ATOM 473 CB ASP A 350 -22.870 -25.976 -8.659 1.00 27.69 C ATOM 474 CG ASP A 350 -23.467 -26.802 -7.549 1.00 31.03 C ATOM 475 OD1 ASP A 350 -22.735 -27.606 -6.946 1.00 32.53 O ATOM 476 OD2 ASP A 350 -24.674 -26.655 -7.278 1.00 36.05 O ATOM 477 H ASP A 350 -21.226 -28.035 -8.778 1.00 0.00 H ATOM 478 N GLU A 351 -19.930 -26.188 -6.572 1.00 24.03 N ATOM 479 CA GLU A 351 -19.352 -25.858 -5.260 1.00 23.38 C ATOM 480 C GLU A 351 -17.843 -25.769 -5.292 1.00 21.34 C ATOM 481 O GLU A 351 -17.228 -25.272 -4.337 1.00 20.43 O ATOM 482 CB GLU A 351 -19.731 -26.913 -4.223 1.00 26.46 C ATOM 483 CG GLU A 351 -21.234 -27.067 -3.990 1.00 32.07 C ATOM 484 CD GLU A 351 -21.855 -26.144 -2.933 1.00 38.37 C ATOM 485 OE1 GLU A 351 -21.160 -25.356 -2.221 1.00 44.73 O ATOM 486 OE2 GLU A 351 -23.101 -26.219 -2.820 1.00 46.76 O ATOM 487 H GLU A 351 -19.620 -27.065 -7.037 1.00 0.00 H ATOM 488 N ALA A 352 -17.216 -26.253 -6.367 1.00 19.44 N ATOM 489 CA ALA A 352 -15.775 -26.487 -6.318 1.00 18.73 C ATOM 490 C ALA A 352 -14.943 -25.209 -6.155 1.00 19.09 C ATOM 491 O ALA A 352 -13.988 -25.193 -5.331 1.00 19.52 O ATOM 492 CB ALA A 352 -15.327 -27.276 -7.488 1.00 18.22 C ATOM 493 H ALA A 352 -17.751 -26.462 -7.234 1.00 0.00 H ATOM 494 N VAL A 353 -15.306 -24.153 -6.886 1.00 17.90 N ATOM 495 CA VAL A 353 -14.491 -22.919 -6.927 1.00 18.85 C ATOM 496 C VAL A 353 -15.095 -21.861 -6.003 1.00 19.51 C ATOM 497 O VAL A 353 -16.249 -21.458 -6.161 1.00 19.21 O ATOM 498 CB VAL A 353 -14.245 -22.413 -8.370 1.00 18.21 C ATOM 499 CG1 VAL A 353 -13.407 -21.142 -8.398 1.00 17.51 C ATOM 500 CG2 VAL A 353 -13.538 -23.502 -9.162 1.00 18.74 C ATOM 501 H VAL A 353 -16.184 -24.199 -7.441 1.00 0.00 H ATOM 502 N ARG A 354 -14.296 -21.472 -4.996 1.00 20.10 N ATOM 503 CA ARG A 354 -14.682 -20.476 -4.038 1.00 19.23 C ATOM 504 C ARG A 354 -13.868 -19.198 -4.236 1.00 20.51 C ATOM 505 O ARG A 354 -12.613 -19.223 -4.205 1.00 21.59 O ATOM 506 CB ARG A 354 -14.532 -21.055 -2.649 1.00 19.40 C ATOM 507 CG ARG A 354 -15.668 -22.033 -2.299 1.00 19.25 C ATOM 508 CD ARG A 354 -15.521 -22.518 -0.882 1.00 19.10 C ATOM 509 NE ARG A 354 -16.745 -23.090 -0.376 1.00 19.98 N ATOM 510 CZ ARG A 354 -17.042 -23.275 0.914 1.00 19.25 C ATOM 511 NH1 ARG A 354 -16.166 -22.986 1.889 1.00 20.78 N ATOM 512 NH2 ARG A 354 -18.210 -23.813 1.232 1.00 17.25 N ATOM 513 HE ARG A 354 -17.457 -23.384 -1.075 1.00 0.00 H ATOM 514 HH12 ARG A 354 -16.426 -23.141 2.884 1.00 0.00 H ATOM 515 HH11 ARG A 354 -15.227 -22.607 1.649 1.00 0.00 H ATOM 516 HH22 ARG A 354 -18.458 -23.964 2.231 1.00 0.00 H ATOM 517 HH21 ARG A 354 -18.879 -24.084 0.483 1.00 0.00 H ATOM 518 H ARG A 354 -13.358 -21.911 -4.907 1.00 0.00 H ATOM 519 N ILE A 355 -14.588 -18.087 -4.444 1.00 19.59 N ATOM 520 CA ILE A 355 -13.979 -16.756 -4.565 1.00 19.87 C ATOM 521 C ILE A 355 -14.391 -15.992 -3.350 1.00 19.64 C ATOM 522 O ILE A 355 -15.578 -15.823 -3.060 1.00 20.81 O ATOM 523 CB ILE A 355 -14.396 -15.990 -5.848 1.00 19.89 C ATOM 524 CG1 ILE A 355 -14.171 -16.894 -7.065 1.00 19.52 C ATOM 525 CG2 ILE A 355 -13.623 -14.672 -5.945 1.00 18.60 C ATOM 526 CD1 ILE A 355 -14.251 -16.191 -8.416 1.00 20.09 C ATOM 527 H ILE A 355 -15.622 -18.171 -4.523 1.00 0.00 H ATOM 528 N PHE A 356 -13.387 -15.569 -2.602 1.00 21.64 N ATOM 529 CA PHE A 356 -13.553 -14.767 -1.409 1.00 21.63 C ATOM 530 C PHE A 356 -13.139 -13.320 -1.720 1.00 22.19 C ATOM 531 O PHE A 356 -12.094 -13.066 -2.365 1.00 21.52 O ATOM 532 CB PHE A 356 -12.687 -15.305 -0.294 1.00 20.71 C ATOM 533 CG PHE A 356 -13.011 -16.718 0.121 1.00 21.06 C ATOM 534 CD1 PHE A 356 -12.438 -17.807 -0.542 1.00 21.13 C ATOM 535 CD2 PHE A 356 -13.810 -16.970 1.249 1.00 19.55 C ATOM 536 CE1 PHE A 356 -12.709 -19.118 -0.122 1.00 21.37 C ATOM 537 CE2 PHE A 356 -14.083 -18.278 1.647 1.00 18.84 C ATOM 538 CZ PHE A 356 -13.529 -19.338 0.983 1.00 19.16 C ATOM 539 H PHE A 356 -12.421 -15.828 -2.887 1.00 0.00 H ATOM 540 N LEU A 357 -13.943 -12.386 -1.223 1.00 20.94 N ATOM 541 CA LEU A 357 -13.602 -10.978 -1.206 1.00 20.50 C ATOM 542 C LEU A 357 -13.630 -10.436 0.222 1.00 22.05 C ATOM 543 O LEU A 357 -14.639 -10.566 0.933 1.00 23.06 O ATOM 544 CB LEU A 357 -14.626 -10.219 -2.010 1.00 22.43 C ATOM 545 CG LEU A 357 -14.555 -10.520 -3.483 1.00 23.74 C ATOM 546 CD1 LEU A 357 -15.945 -10.347 -4.034 1.00 26.22 C ATOM 547 CD2 LEU A 357 -13.544 -9.632 -4.192 1.00 24.23 C ATOM 548 H LEU A 357 -14.859 -12.679 -0.828 1.00 0.00 H ATOM 549 N GLU A 358 -12.542 -9.829 0.651 1.00 20.82 N ATOM 550 CA GLU A 358 -12.544 -9.137 1.906 1.00 20.22 C ATOM 551 C GLU A 358 -12.729 -7.681 1.630 1.00 19.71 C ATOM 552 O GLU A 358 -11.879 -7.039 1.035 1.00 20.64 O ATOM 553 CB GLU A 358 -11.249 -9.337 2.661 1.00 20.85 C ATOM 554 CG GLU A 358 -11.334 -8.796 4.077 1.00 20.85 C ATOM 555 CD GLU A 358 -10.028 -8.957 4.848 1.00 22.46 C ATOM 556 OE1 GLU A 358 -9.354 -9.978 4.691 1.00 20.97 O ATOM 557 OE2 GLU A 358 -9.643 -8.032 5.593 1.00 24.84 O ATOM 558 H GLU A 358 -11.676 -9.852 0.075 1.00 0.00 H ATOM 559 N PHE A 359 -13.864 -7.177 2.029 1.00 18.83 N ATOM 560 CA PHE A 359 -14.111 -5.758 1.952 1.00 20.89 C ATOM 561 C PHE A 359 -13.475 -5.097 3.165 1.00 20.71 C ATOM 562 O PHE A 359 -13.165 -5.773 4.106 1.00 20.57 O ATOM 563 CB PHE A 359 -15.637 -5.503 1.919 1.00 20.18 C ATOM 564 CG PHE A 359 -16.242 -5.812 0.604 1.00 19.05 C ATOM 565 CD1 PHE A 359 -16.218 -4.873 -0.409 1.00 19.85 C ATOM 566 CD2 PHE A 359 -16.720 -7.060 0.335 1.00 19.29 C ATOM 567 CE1 PHE A 359 -16.717 -5.170 -1.664 1.00 19.36 C ATOM 568 CE2 PHE A 359 -17.242 -7.361 -0.914 1.00 20.49 C ATOM 569 CZ PHE A 359 -17.224 -6.421 -1.920 1.00 19.49 C ATOM 570 H PHE A 359 -14.600 -7.806 2.408 1.00 0.00 H ATOM 571 N GLU A 360 -13.330 -3.787 3.153 1.00 21.53 N ATOM 572 CA GLU A 360 -12.980 -3.035 4.377 1.00 24.99 C ATOM 573 C GLU A 360 -14.090 -2.957 5.432 1.00 21.62 C ATOM 574 O GLU A 360 -13.782 -2.924 6.614 1.00 21.27 O ATOM 575 CB GLU A 360 -12.498 -1.632 4.022 1.00 26.57 C ATOM 576 CG GLU A 360 -11.173 -1.688 3.288 1.00 30.21 C ATOM 577 CD GLU A 360 -10.585 -0.307 3.068 1.00 35.98 C ATOM 578 OE1 GLU A 360 -11.325 0.685 3.199 1.00 37.59 O ATOM 579 OE2 GLU A 360 -9.388 -0.220 2.732 1.00 43.54 O ATOM 580 H GLU A 360 -13.465 -3.270 2.261 1.00 0.00 H ATOM 581 N ARG A 361 -15.347 -2.992 4.994 1.00 21.48 N ATOM 582 CA ARG A 361 -16.524 -2.781 5.858 1.00 21.99 C ATOM 583 C ARG A 361 -17.660 -3.721 5.545 1.00 21.55 C ATOM 584 O ARG A 361 -17.900 -4.056 4.361 1.00 22.50 O ATOM 585 CB ARG A 361 -17.076 -1.351 5.702 1.00 24.06 C ATOM 586 CG ARG A 361 -16.092 -0.276 6.140 1.00 25.76 C ATOM 587 CD ARG A 361 -16.777 1.054 6.393 1.00 27.37 C ATOM 588 NE ARG A 361 -17.336 1.545 5.145 1.00 32.20 N ATOM 589 CZ ARG A 361 -18.565 2.026 4.954 1.00 31.00 C ATOM 590 NH1 ARG A 361 -19.426 2.151 5.952 1.00 30.92 N ATOM 591 NH2 ARG A 361 -18.921 2.403 3.720 1.00 31.38 N ATOM 592 HE ARG A 361 -16.712 1.519 4.313 1.00 0.00 H ATOM 593 HH12 ARG A 361 -20.378 2.529 5.773 1.00 0.00 H ATOM 594 HH11 ARG A 361 -19.150 1.871 6.915 1.00 0.00 H ATOM 595 HH22 ARG A 361 -19.874 2.781 3.546 1.00 0.00 H ATOM 596 HH21 ARG A 361 -18.244 2.318 2.935 1.00 0.00 H ATOM 597 H ARG A 361 -15.508 -3.179 3.984 1.00 0.00 H ATOM 598 N VAL A 362 -18.383 -4.080 6.611 1.00 20.21 N ATOM 599 CA VAL A 362 -19.539 -4.965 6.585 1.00 19.16 C ATOM 600 C VAL A 362 -20.652 -4.414 5.691 1.00 19.62 C ATOM 601 O VAL A 362 -21.308 -5.177 4.976 1.00 18.95 O ATOM 602 CB VAL A 362 -20.098 -5.250 8.041 1.00 19.72 C ATOM 603 CG1 VAL A 362 -21.393 -6.028 8.003 1.00 19.31 C ATOM 604 CG2 VAL A 362 -19.096 -6.060 8.885 1.00 20.20 C ATOM 605 H VAL A 362 -18.096 -3.696 7.534 1.00 0.00 H ATOM 606 N GLU A 363 -20.831 -3.093 5.675 1.00 20.37 N ATOM 607 CA GLU A 363 -21.871 -2.435 4.839 1.00 20.10 C ATOM 608 C GLU A 363 -21.648 -2.704 3.351 1.00 17.71 C ATOM 609 O GLU A 363 -22.588 -2.968 2.631 1.00 17.45 O ATOM 610 CB GLU A 363 -21.915 -0.931 5.098 1.00 21.71 C ATOM 611 CG GLU A 363 -22.336 -0.527 6.512 1.00 24.06 C ATOM 612 CD GLU A 363 -21.215 -0.506 7.555 1.00 25.71 C ATOM 613 OE1 GLU A 363 -20.191 -1.183 7.416 1.00 27.40 O ATOM 614 OE2 GLU A 363 -21.346 0.212 8.539 1.00 30.81 O ATOM 615 H GLU A 363 -20.219 -2.499 6.271 1.00 0.00 H ATOM 616 N SER A 364 -20.401 -2.675 2.906 1.00 17.05 N ATOM 617 CA SER A 364 -20.050 -3.030 1.508 1.00 18.08 C ATOM 618 C SER A 364 -20.419 -4.490 1.181 1.00 18.47 C ATOM 619 O SER A 364 -21.080 -4.752 0.187 1.00 19.81 O ATOM 620 CB SER A 364 -18.543 -2.813 1.222 1.00 17.58 C ATOM 621 OG SER A 364 -18.134 -1.510 1.595 1.00 17.81 O ATOM 622 HG SER A 364 -17.169 -1.400 1.401 1.00 0.00 H ATOM 623 H SER A 364 -19.641 -2.394 3.558 1.00 0.00 H ATOM 624 N ALA A 365 -19.975 -5.401 2.042 1.00 17.49 N ATOM 625 CA ALA A 365 -20.279 -6.795 1.943 1.00 16.78 C ATOM 626 C ALA A 365 -21.774 -7.080 1.836 1.00 16.35 C ATOM 627 O ALA A 365 -22.173 -7.899 1.026 1.00 14.97 O ATOM 628 CB ALA A 365 -19.674 -7.531 3.117 1.00 16.50 C ATOM 629 H ALA A 365 -19.375 -5.083 2.829 1.00 0.00 H ATOM 630 N ILE A 366 -22.594 -6.408 2.641 1.00 16.68 N ATOM 631 CA ILE A 366 -24.059 -6.601 2.586 1.00 16.92 C ATOM 632 C ILE A 366 -24.585 -6.196 1.199 1.00 16.87 C ATOM 633 O ILE A 366 -25.357 -6.920 0.573 1.00 16.69 O ATOM 634 CB ILE A 366 -24.778 -5.821 3.708 1.00 17.87 C ATOM 635 CG1 ILE A 366 -24.438 -6.448 5.076 1.00 18.03 C ATOM 636 CG2 ILE A 366 -26.296 -5.762 3.474 1.00 16.99 C ATOM 637 CD1 ILE A 366 -24.684 -5.528 6.254 1.00 18.23 C ATOM 638 H ILE A 366 -22.195 -5.732 3.324 1.00 0.00 H ATOM 639 N LYS A 367 -24.086 -5.083 0.683 1.00 18.33 N ATOM 640 CA LYS A 367 -24.448 -4.639 -0.668 1.00 19.17 C ATOM 641 C LYS A 367 -24.069 -5.642 -1.724 1.00 18.10 C ATOM 642 O LYS A 367 -24.864 -5.902 -2.628 1.00 19.87 O ATOM 643 CB LYS A 367 -23.875 -3.257 -0.985 1.00 19.05 C ATOM 644 CG LYS A 367 -24.562 -2.213 -0.116 1.00 20.57 C ATOM 645 CD LYS A 367 -24.248 -0.792 -0.522 1.00 22.66 C ATOM 646 CE LYS A 367 -22.784 -0.496 -0.371 1.00 25.66 C ATOM 647 NZ LYS A 367 -22.567 0.984 -0.459 1.00 29.23 N ATOM 648 HZ1 LYS A 367 -22.899 1.328 -1.383 1.00 0.00 H ATOM 649 HZ2 LYS A 367 -23.099 1.457 0.300 1.00 0.00 H ATOM 650 HZ3 LYS A 367 -21.553 1.191 -0.355 1.00 0.00 H ATOM 651 H LYS A 367 -23.424 -4.512 1.247 1.00 0.00 H ATOM 652 N ALA A 368 -22.887 -6.214 -1.599 1.00 16.62 N ATOM 653 CA ALA A 368 -22.393 -7.184 -2.571 1.00 16.34 C ATOM 654 C ALA A 368 -23.235 -8.462 -2.547 1.00 17.48 C ATOM 655 O ALA A 368 -23.671 -8.942 -3.605 1.00 16.90 O ATOM 656 CB ALA A 368 -20.922 -7.498 -2.318 1.00 15.05 C ATOM 657 H ALA A 368 -22.290 -5.967 -0.784 1.00 0.00 H ATOM 658 N VAL A 369 -23.526 -8.971 -1.336 1.00 18.18 N ATOM 659 CA VAL A 369 -24.348 -10.210 -1.181 1.00 18.85 C ATOM 660 C VAL A 369 -25.742 -10.015 -1.735 1.00 19.73 C ATOM 661 O VAL A 369 -26.275 -10.888 -2.407 1.00 21.59 O ATOM 662 CB VAL A 369 -24.445 -10.708 0.290 1.00 18.61 C ATOM 663 CG1 VAL A 369 -25.379 -11.911 0.404 1.00 19.48 C ATOM 664 CG2 VAL A 369 -23.068 -11.103 0.841 1.00 18.32 C ATOM 665 H VAL A 369 -23.170 -8.490 -0.486 1.00 0.00 H ATOM 666 N VAL A 370 -26.353 -8.878 -1.445 1.00 21.39 N ATOM 667 CA VAL A 370 -27.715 -8.617 -1.947 1.00 23.14 C ATOM 668 C VAL A 370 -27.725 -8.523 -3.492 1.00 22.12 C ATOM 669 O VAL A 370 -28.601 -9.072 -4.131 1.00 20.53 O ATOM 670 CB VAL A 370 -28.340 -7.366 -1.272 1.00 23.95 C ATOM 671 CG1 VAL A 370 -29.663 -6.992 -1.933 1.00 27.41 C ATOM 672 CG2 VAL A 370 -28.584 -7.646 0.195 1.00 23.96 C ATOM 673 H VAL A 370 -25.871 -8.165 -0.861 1.00 0.00 H ATOM 674 N ASP A 371 -26.718 -7.863 -4.064 1.00 21.71 N ATOM 675 CA ASP A 371 -26.645 -7.667 -5.504 1.00 22.59 C ATOM 676 C ASP A 371 -26.081 -8.863 -6.333 1.00 21.81 C ATOM 677 O ASP A 371 -26.471 -9.069 -7.471 1.00 21.27 O ATOM 678 CB ASP A 371 -25.842 -6.394 -5.812 1.00 22.29 C ATOM 679 CG ASP A 371 -26.162 -5.845 -7.200 1.00 22.76 C ATOM 680 OD1 ASP A 371 -27.331 -5.695 -7.499 1.00 21.16 O ATOM 681 OD2 ASP A 371 -25.236 -5.615 -8.004 1.00 24.97 O ATOM 682 H ASP A 371 -25.962 -7.477 -3.463 1.00 0.00 H ATOM 683 N LEU A 372 -25.189 -9.643 -5.749 1.00 20.59 N ATOM 684 CA LEU A 372 -24.516 -10.726 -6.463 1.00 19.84 C ATOM 685 C LEU A 372 -25.227 -12.073 -6.377 1.00 18.96 C ATOM 686 O LEU A 372 -25.017 -12.909 -7.270 1.00 17.98 O ATOM 687 CB LEU A 372 -23.088 -10.863 -5.944 1.00 19.34 C ATOM 688 CG LEU A 372 -22.203 -9.664 -6.318 1.00 19.93 C ATOM 689 CD1 LEU A 372 -20.872 -9.742 -5.578 1.00 20.81 C ATOM 690 CD2 LEU A 372 -21.984 -9.602 -7.813 1.00 18.94 C ATOM 691 H LEU A 372 -24.958 -9.481 -4.748 1.00 0.00 H ATOM 692 N ASN A 373 -26.054 -12.274 -5.334 1.00 16.80 N ATOM 693 CA ASN A 373 -26.796 -13.520 -5.191 1.00 17.94 C ATOM 694 C ASN A 373 -27.940 -13.625 -6.195 1.00 17.73 C ATOM 695 O ASN A 373 -28.829 -12.787 -6.178 1.00 18.85 O ATOM 696 CB ASN A 373 -27.360 -13.691 -3.775 1.00 18.47 C ATOM 697 CG ASN A 373 -27.686 -15.145 -3.459 1.00 18.56 C ATOM 698 OD1 ASN A 373 -26.912 -16.043 -3.753 1.00 17.99 O ATOM 699 ND2 ASN A 373 -28.824 -15.372 -2.855 1.00 18.97 N ATOM 700 HD22 ASN A 373 -29.456 -14.580 -2.622 1.00 0.00 H ATOM 701 HD21 ASN A 373 -29.097 -16.345 -2.608 1.00 0.00 H ATOM 702 H ASN A 373 -26.165 -11.528 -4.618 1.00 0.00 H ATOM 703 N GLY A 374 -27.884 -14.624 -7.089 1.00 17.74 N ATOM 704 CA GLY A 374 -28.780 -14.740 -8.259 1.00 16.84 C ATOM 705 C GLY A 374 -28.245 -14.075 -9.525 1.00 17.71 C ATOM 706 O GLY A 374 -28.876 -14.143 -10.581 1.00 18.79 O ATOM 707 H GLY A 374 -27.165 -15.363 -6.950 1.00 0.00 H ATOM 708 N ARG A 375 -27.079 -13.436 -9.450 1.00 17.77 N ATOM 709 CA ARG A 375 -26.570 -12.649 -10.608 1.00 17.11 C ATOM 710 C ARG A 375 -25.842 -13.572 -11.553 1.00 15.00 C ATOM 711 O ARG A 375 -25.238 -14.522 -11.116 1.00 14.45 O ATOM 712 CB ARG A 375 -25.627 -11.542 -10.128 1.00 17.71 C ATOM 713 CG ARG A 375 -25.315 -10.549 -11.222 1.00 18.74 C ATOM 714 CD ARG A 375 -24.397 -9.441 -10.754 1.00 18.43 C ATOM 715 NE ARG A 375 -24.200 -8.477 -11.841 1.00 19.19 N ATOM 716 CZ ARG A 375 -23.385 -7.426 -11.792 1.00 19.81 C ATOM 717 NH1 ARG A 375 -22.665 -7.179 -10.692 1.00 20.97 N ATOM 718 NH2 ARG A 375 -23.295 -6.613 -12.832 1.00 18.11 N ATOM 719 HE ARG A 375 -24.739 -8.626 -12.718 1.00 0.00 H ATOM 720 HH12 ARG A 375 -22.030 -6.356 -10.660 1.00 0.00 H ATOM 721 HH11 ARG A 375 -22.740 -7.810 -9.869 1.00 0.00 H ATOM 722 HH22 ARG A 375 -22.659 -5.791 -12.796 1.00 0.00 H ATOM 723 HH21 ARG A 375 -23.860 -6.796 -13.685 1.00 0.00 H ATOM 724 H ARG A 375 -26.519 -13.487 -8.575 1.00 0.00 H ATOM 725 N TYR A 376 -25.896 -13.289 -12.846 1.00 15.17 N ATOM 726 CA TYR A 376 -25.141 -14.078 -13.841 1.00 14.92 C ATOM 727 C TYR A 376 -23.667 -13.657 -13.980 1.00 14.28 C ATOM 728 O TYR A 376 -23.334 -12.484 -14.028 1.00 13.58 O ATOM 729 CB TYR A 376 -25.800 -14.061 -15.212 1.00 15.43 C ATOM 730 CG TYR A 376 -26.934 -15.030 -15.355 1.00 16.14 C ATOM 731 CD1 TYR A 376 -26.687 -16.357 -15.690 1.00 16.87 C ATOM 732 CD2 TYR A 376 -28.255 -14.631 -15.165 1.00 16.07 C ATOM 733 CE1 TYR A 376 -27.723 -17.285 -15.800 1.00 17.57 C ATOM 734 CE2 TYR A 376 -29.299 -15.546 -15.251 1.00 16.02 C ATOM 735 CZ TYR A 376 -29.034 -16.881 -15.572 1.00 16.66 C ATOM 736 OH TYR A 376 -30.040 -17.822 -15.690 1.00 16.06 O ATOM 737 HH TYR A 376 -29.644 -18.699 -15.921 1.00 0.00 H ATOM 738 H TYR A 376 -26.483 -12.493 -13.168 1.00 0.00 H ATOM 739 N PHE A 377 -22.812 -14.653 -14.072 1.00 14.25 N ATOM 740 CA PHE A 377 -21.436 -14.476 -14.437 1.00 15.04 C ATOM 741 C PHE A 377 -21.070 -15.569 -15.424 1.00 15.07 C ATOM 742 O PHE A 377 -21.157 -16.770 -15.105 1.00 15.09 O ATOM 743 CB PHE A 377 -20.530 -14.582 -13.206 1.00 16.29 C ATOM 744 CG PHE A 377 -19.074 -14.342 -13.522 1.00 17.37 C ATOM 745 CD1 PHE A 377 -18.582 -13.046 -13.547 1.00 16.81 C ATOM 746 CD2 PHE A 377 -18.212 -15.400 -13.759 1.00 17.91 C ATOM 747 CE1 PHE A 377 -17.275 -12.799 -13.806 1.00 17.03 C ATOM 748 CE2 PHE A 377 -16.879 -15.166 -14.055 1.00 19.10 C ATOM 749 CZ PHE A 377 -16.410 -13.851 -14.061 1.00 19.30 C ATOM 750 H PHE A 377 -23.150 -15.616 -13.870 1.00 0.00 H ATOM 751 N GLY A 378 -20.700 -15.165 -16.632 1.00 14.98 N ATOM 752 CA GLY A 378 -20.332 -16.108 -17.676 1.00 15.97 C ATOM 753 C GLY A 378 -21.344 -17.190 -18.002 1.00 15.35 C ATOM 754 O GLY A 378 -20.966 -18.285 -18.314 1.00 15.05 O ATOM 755 H GLY A 378 -20.672 -14.146 -16.838 1.00 0.00 H ATOM 756 N GLY A 379 -22.641 -16.860 -17.870 1.00 16.31 N ATOM 757 CA GLY A 379 -23.745 -17.792 -18.014 1.00 16.01 C ATOM 758 C GLY A 379 -24.152 -18.598 -16.779 1.00 15.80 C ATOM 759 O GLY A 379 -25.147 -19.318 -16.835 1.00 14.83 O ATOM 760 H GLY A 379 -22.869 -15.869 -17.650 1.00 0.00 H ATOM 761 N ARG A 380 -23.420 -18.467 -15.677 1.00 15.11 N ATOM 762 CA ARG A 380 -23.737 -19.184 -14.444 1.00 15.96 C ATOM 763 C ARG A 380 -24.443 -18.298 -13.454 1.00 15.77 C ATOM 764 O ARG A 380 -24.082 -17.151 -13.296 1.00 17.21 O ATOM 765 CB ARG A 380 -22.465 -19.682 -13.764 1.00 15.96 C ATOM 766 CG ARG A 380 -21.758 -20.783 -14.512 1.00 17.26 C ATOM 767 CD ARG A 380 -20.665 -21.426 -13.653 1.00 17.46 C ATOM 768 NE ARG A 380 -20.274 -22.637 -14.320 1.00 17.48 N ATOM 769 CZ ARG A 380 -20.223 -23.860 -13.799 1.00 19.05 C ATOM 770 NH1 ARG A 380 -20.463 -24.124 -12.508 1.00 20.71 N ATOM 771 NH2 ARG A 380 -19.846 -24.846 -14.587 1.00 18.35 N ATOM 772 HE ARG A 380 -20.001 -22.548 -15.320 1.00 0.00 H ATOM 773 HH12 ARG A 380 -20.408 -25.102 -12.158 1.00 0.00 H ATOM 774 HH11 ARG A 380 -20.704 -23.351 -11.855 1.00 0.00 H ATOM 775 HH22 ARG A 380 -19.794 -25.816 -14.217 1.00 0.00 H ATOM 776 HH21 ARG A 380 -19.601 -24.654 -15.579 1.00 0.00 H ATOM 777 H ARG A 380 -22.595 -17.834 -15.693 1.00 0.00 H ATOM 778 N VAL A 381 -25.372 -18.866 -12.707 1.00 16.20 N ATOM 779 CA VAL A 381 -26.045 -18.154 -11.613 1.00 16.63 C ATOM 780 C VAL A 381 -25.148 -18.177 -10.339 1.00 17.14 C ATOM 781 O VAL A 381 -24.918 -19.243 -9.721 1.00 17.27 O ATOM 782 CB VAL A 381 -27.433 -18.767 -11.382 1.00 16.11 C ATOM 783 CG1 VAL A 381 -28.192 -18.038 -10.271 1.00 15.77 C ATOM 784 CG2 VAL A 381 -28.230 -18.688 -12.703 1.00 16.53 C ATOM 785 H VAL A 381 -25.637 -19.853 -12.900 1.00 0.00 H ATOM 786 N VAL A 382 -24.681 -16.987 -9.942 1.00 16.44 N ATOM 787 CA VAL A 382 -23.782 -16.839 -8.822 1.00 16.57 C ATOM 788 C VAL A 382 -24.545 -17.060 -7.516 1.00 17.38 C ATOM 789 O VAL A 382 -25.679 -16.558 -7.353 1.00 16.96 O ATOM 790 CB VAL A 382 -23.090 -15.457 -8.847 1.00 16.98 C ATOM 791 CG1 VAL A 382 -22.264 -15.210 -7.577 1.00 17.19 C ATOM 792 CG2 VAL A 382 -22.215 -15.303 -10.108 1.00 17.36 C ATOM 793 H VAL A 382 -24.977 -16.136 -10.461 1.00 0.00 H ATOM 794 N LYS A 383 -23.904 -17.737 -6.563 1.00 18.17 N ATOM 795 CA LYS A 383 -24.405 -17.789 -5.177 1.00 19.07 C ATOM 796 C LYS A 383 -23.472 -16.941 -4.294 1.00 18.31 C ATOM 797 O LYS A 383 -22.262 -17.211 -4.228 1.00 17.73 O ATOM 798 CB LYS A 383 -24.452 -19.211 -4.663 1.00 21.77 C ATOM 799 CG LYS A 383 -25.559 -20.059 -5.247 1.00 24.81 C ATOM 800 CD LYS A 383 -25.473 -21.509 -4.766 1.00 29.00 C ATOM 801 CE LYS A 383 -24.827 -22.418 -5.813 1.00 31.62 C ATOM 802 NZ LYS A 383 -24.199 -23.633 -5.213 1.00 34.23 N ATOM 803 HZ1 LYS A 383 -23.459 -23.344 -4.542 1.00 0.00 H ATOM 804 HZ2 LYS A 383 -24.925 -24.186 -4.714 1.00 0.00 H ATOM 805 HZ3 LYS A 383 -23.777 -24.212 -5.967 1.00 0.00 H ATOM 806 H LYS A 383 -23.027 -18.242 -6.803 1.00 0.00 H ATOM 807 N ALA A 384 -24.040 -15.955 -3.600 1.00 16.58 N ATOM 808 CA ALA A 384 -23.297 -15.045 -2.730 1.00 16.80 C ATOM 809 C ALA A 384 -23.740 -15.192 -1.271 1.00 17.24 C ATOM 810 O ALA A 384 -24.929 -15.279 -0.990 1.00 18.03 O ATOM 811 CB ALA A 384 -23.470 -13.601 -3.205 1.00 16.26 C ATOM 812 H ALA A 384 -25.069 -15.826 -3.682 1.00 0.00 H ATOM 813 N CYS A 385 -22.772 -15.245 -0.356 1.00 18.19 N ATOM 814 CA CYS A 385 -23.046 -15.242 1.073 1.00 19.09 C ATOM 815 C CYS A 385 -21.845 -14.730 1.852 1.00 20.32 C ATOM 816 O CYS A 385 -20.792 -14.440 1.283 1.00 24.19 O ATOM 817 CB CYS A 385 -23.401 -16.631 1.543 1.00 19.27 C ATOM 818 SG CYS A 385 -22.024 -17.800 1.572 1.00 19.15 S ATOM 819 H CYS A 385 -21.783 -15.290 -0.676 1.00 0.00 H ATOM 820 N PHE A 386 -22.007 -14.572 3.147 1.00 19.00 N ATOM 821 CA PHE A 386 -20.909 -14.139 3.991 1.00 19.30 C ATOM 822 C PHE A 386 -20.073 -15.324 4.402 1.00 18.86 C ATOM 823 O PHE A 386 -20.473 -16.493 4.235 1.00 18.58 O ATOM 824 CB PHE A 386 -21.414 -13.436 5.255 1.00 21.19 C ATOM 825 CG PHE A 386 -22.339 -12.308 4.976 1.00 22.27 C ATOM 826 CD1 PHE A 386 -21.843 -11.093 4.526 1.00 22.86 C ATOM 827 CD2 PHE A 386 -23.712 -12.465 5.130 1.00 23.42 C ATOM 828 CE1 PHE A 386 -22.691 -10.046 4.259 1.00 23.60 C ATOM 829 CE2 PHE A 386 -24.567 -11.426 4.853 1.00 23.97 C ATOM 830 CZ PHE A 386 -24.060 -10.206 4.415 1.00 23.70 C ATOM 831 H PHE A 386 -22.937 -14.760 3.573 1.00 0.00 H ATOM 832 N TYR A 387 -18.892 -15.008 4.916 1.00 18.09 N ATOM 833 CA TYR A 387 -17.969 -15.996 5.457 1.00 17.46 C ATOM 834 C TYR A 387 -17.333 -15.440 6.700 1.00 17.60 C ATOM 835 O TYR A 387 -17.058 -14.241 6.795 1.00 19.92 O ATOM 836 CB TYR A 387 -16.912 -16.335 4.450 1.00 16.96 C ATOM 837 CG TYR A 387 -16.300 -17.702 4.621 1.00 17.64 C ATOM 838 CD1 TYR A 387 -16.927 -18.855 4.095 1.00 16.65 C ATOM 839 CD2 TYR A 387 -15.032 -17.855 5.248 1.00 17.26 C ATOM 840 CE1 TYR A 387 -16.318 -20.107 4.226 1.00 17.14 C ATOM 841 CE2 TYR A 387 -14.446 -19.095 5.383 1.00 17.27 C ATOM 842 CZ TYR A 387 -15.104 -20.219 4.890 1.00 17.00 C ATOM 843 OH TYR A 387 -14.484 -21.425 4.996 1.00 16.68 O ATOM 844 HH TYR A 387 -13.624 -21.397 4.507 1.00 0.00 H ATOM 845 H TYR A 387 -18.612 -14.007 4.934 1.00 0.00 H ATOM 846 N ASN A 388 -17.134 -16.310 7.675 1.00 16.72 N ATOM 847 CA ASN A 388 -16.456 -15.952 8.903 1.00 15.91 C ATOM 848 C ASN A 388 -15.092 -15.355 8.604 1.00 15.29 C ATOM 849 O ASN A 388 -14.269 -15.979 7.898 1.00 13.28 O ATOM 850 CB ASN A 388 -16.325 -17.220 9.756 1.00 16.97 C ATOM 851 CG ASN A 388 -15.885 -16.929 11.169 1.00 17.46 C ATOM 852 OD1 ASN A 388 -14.728 -16.955 11.464 1.00 18.34 O ATOM 853 ND2 ASN A 388 -16.829 -16.660 12.042 1.00 19.17 N ATOM 854 HD22 ASN A 388 -17.825 -16.648 11.743 1.00 0.00 H ATOM 855 HD21 ASN A 388 -16.580 -16.460 13.032 1.00 0.00 H ATOM 856 H ASN A 388 -17.476 -17.285 7.556 1.00 0.00 H ATOM 857 N LEU A 389 -14.819 -14.171 9.177 1.00 15.43 N ATOM 858 CA LEU A 389 -13.567 -13.459 8.963 1.00 16.48 C ATOM 859 C LEU A 389 -12.361 -14.232 9.471 1.00 18.57 C ATOM 860 O LEU A 389 -11.394 -14.446 8.733 1.00 19.37 O ATOM 861 CB LEU A 389 -13.587 -12.087 9.618 1.00 16.59 C ATOM 862 CG LEU A 389 -12.261 -11.302 9.631 1.00 16.35 C ATOM 863 CD1 LEU A 389 -11.843 -10.902 8.224 1.00 16.17 C ATOM 864 CD2 LEU A 389 -12.455 -10.083 10.498 1.00 16.99 C ATOM 865 H LEU A 389 -15.533 -13.744 9.801 1.00 0.00 H ATOM 866 N ASP A 390 -12.416 -14.647 10.729 1.00 20.18 N ATOM 867 CA ASP A 390 -11.285 -15.371 11.350 1.00 23.06 C ATOM 868 C ASP A 390 -10.899 -16.654 10.577 1.00 22.10 C ATOM 869 O ASP A 390 -9.704 -16.861 10.319 1.00 19.01 O ATOM 870 CB ASP A 390 -11.538 -15.641 12.844 1.00 23.18 C ATOM 871 CG ASP A 390 -11.447 -14.345 13.714 1.00 27.57 C ATOM 872 OD1 ASP A 390 -11.166 -13.215 13.200 1.00 25.71 O ATOM 873 OD2 ASP A 390 -11.703 -14.465 14.932 1.00 31.31 O ATOM 874 H ASP A 390 -13.271 -14.460 11.290 1.00 0.00 H ATOM 875 N LYS A 391 -11.912 -17.434 10.170 1.00 23.76 N ATOM 876 CA LYS A 391 -11.712 -18.640 9.344 1.00 25.08 C ATOM 877 C LYS A 391 -11.082 -18.291 8.001 1.00 26.27 C ATOM 878 O LYS A 391 -10.175 -19.003 7.541 1.00 25.78 O ATOM 879 CB LYS A 391 -12.994 -19.399 9.029 1.00 27.24 C ATOM 880 CG LYS A 391 -13.836 -19.957 10.160 1.00 29.16 C ATOM 881 CD LYS A 391 -13.078 -20.766 11.191 1.00 33.50 C ATOM 882 CE LYS A 391 -13.929 -21.931 11.733 1.00 36.34 C ATOM 883 NZ LYS A 391 -15.364 -21.587 11.987 1.00 35.25 N ATOM 884 HZ1 LYS A 391 -15.417 -20.821 12.689 1.00 0.00 H ATOM 885 HZ2 LYS A 391 -15.807 -21.276 11.099 1.00 0.00 H ATOM 886 HZ3 LYS A 391 -15.861 -22.426 12.349 1.00 0.00 H ATOM 887 H LYS A 391 -12.880 -17.177 10.449 1.00 0.00 H ATOM 888 N PHE A 392 -11.575 -17.221 7.363 1.00 23.99 N ATOM 889 CA PHE A 392 -10.983 -16.745 6.107 1.00 21.11 C ATOM 890 C PHE A 392 -9.501 -16.393 6.322 1.00 22.54 C ATOM 891 O PHE A 392 -8.634 -16.849 5.547 1.00 22.11 O ATOM 892 CB PHE A 392 -11.736 -15.535 5.561 1.00 19.53 C ATOM 893 CG PHE A 392 -11.052 -14.876 4.411 1.00 19.77 C ATOM 894 CD1 PHE A 392 -11.007 -15.506 3.170 1.00 19.50 C ATOM 895 CD2 PHE A 392 -10.427 -13.631 4.558 1.00 19.30 C ATOM 896 CE1 PHE A 392 -10.391 -14.914 2.085 1.00 18.94 C ATOM 897 CE2 PHE A 392 -9.797 -13.035 3.488 1.00 18.79 C ATOM 898 CZ PHE A 392 -9.770 -13.689 2.239 1.00 20.39 C ATOM 899 H PHE A 392 -12.392 -16.719 7.765 1.00 0.00 H ATOM 900 N ARG A 393 -9.215 -15.631 7.383 1.00 21.57 N ATOM 901 CA ARG A 393 -7.837 -15.195 7.670 1.00 22.48 C ATOM 902 C ARG A 393 -6.851 -16.287 8.043 1.00 21.52 C ATOM 903 O ARG A 393 -5.693 -16.114 7.807 1.00 23.79 O ATOM 904 CB ARG A 393 -7.800 -14.125 8.760 1.00 21.22 C ATOM 905 CG ARG A 393 -8.413 -12.815 8.336 1.00 19.39 C ATOM 906 CD ARG A 393 -7.521 -12.064 7.380 1.00 18.94 C ATOM 907 NE ARG A 393 -8.034 -10.711 7.233 1.00 17.29 N ATOM 908 CZ ARG A 393 -7.791 -9.710 8.081 1.00 18.09 C ATOM 909 NH1 ARG A 393 -7.035 -9.858 9.181 1.00 17.24 N ATOM 910 NH2 ARG A 393 -8.350 -8.534 7.857 1.00 18.16 N ATOM 911 HE ARG A 393 -8.633 -10.509 6.407 1.00 0.00 H ATOM 912 HH12 ARG A 393 -6.873 -9.048 9.813 1.00 0.00 H ATOM 913 HH11 ARG A 393 -6.612 -10.782 9.400 1.00 0.00 H ATOM 914 HH22 ARG A 393 -8.172 -7.742 8.507 1.00 0.00 H ATOM 915 HH21 ARG A 393 -8.968 -8.401 7.031 1.00 0.00 H ATOM 916 H ARG A 393 -9.983 -15.339 8.021 1.00 0.00 H ATOM 917 N VAL A 394 -7.279 -17.403 8.597 1.00 23.13 N ATOM 918 CA VAL A 394 -6.356 -18.574 8.760 1.00 25.43 C ATOM 919 C VAL A 394 -6.423 -19.573 7.577 1.00 25.80 C ATOM 920 O VAL A 394 -5.975 -20.700 7.726 1.00 28.13 O ATOM 921 CB VAL A 394 -6.602 -19.365 10.080 1.00 26.26 C ATOM 922 CG1 VAL A 394 -6.552 -18.447 11.295 1.00 27.29 C ATOM 923 CG2 VAL A 394 -7.934 -20.117 10.050 1.00 27.56 C ATOM 924 H VAL A 394 -8.264 -17.473 8.924 1.00 0.00 H ATOM 925 N LEU A 395 -6.970 -19.165 6.427 1.00 24.78 N ATOM 926 CA LEU A 395 -7.133 -20.026 5.255 1.00 25.24 C ATOM 927 C LEU A 395 -7.885 -21.332 5.508 1.00 24.24 C ATOM 928 O LEU A 395 -7.635 -22.330 4.838 1.00 24.03 O ATOM 929 CB LEU A 395 -5.789 -20.345 4.606 1.00 24.87 C ATOM 930 CG LEU A 395 -4.891 -19.148 4.323 1.00 26.38 C ATOM 931 CD1 LEU A 395 -3.570 -19.630 3.690 1.00 26.23 C ATOM 932 CD2 LEU A 395 -5.617 -18.120 3.457 1.00 26.11 C ATOM 933 H LEU A 395 -7.298 -18.180 6.362 1.00 0.00 H ATOM 934 N ASP A 396 -8.851 -21.276 6.419 1.00 24.06 N ATOM 935 CA ASP A 396 -9.858 -22.297 6.577 1.00 23.31 C ATOM 936 C ASP A 396 -11.027 -21.988 5.571 1.00 22.80 C ATOM 937 O ASP A 396 -12.106 -21.475 5.947 1.00 22.25 O ATOM 938 CB ASP A 396 -10.320 -22.342 8.031 1.00 23.74 C ATOM 939 CG ASP A 396 -11.435 -23.330 8.257 1.00 26.56 C ATOM 940 OD1 ASP A 396 -11.661 -24.245 7.415 1.00 29.01 O ATOM 941 OD2 ASP A 396 -12.144 -23.147 9.250 1.00 29.03 O ATOM 942 H ASP A 396 -8.883 -20.452 7.052 1.00 0.00 H ATOM 943 N LEU A 397 -10.805 -22.357 4.307 1.00 21.87 N ATOM 944 CA LEU A 397 -11.630 -21.901 3.181 1.00 21.51 C ATOM 945 C LEU A 397 -12.669 -22.896 2.689 1.00 23.56 C ATOM 946 O LEU A 397 -13.397 -22.609 1.672 1.00 20.34 O ATOM 947 CB LEU A 397 -10.707 -21.519 2.024 1.00 22.28 C ATOM 948 CG LEU A 397 -9.650 -20.474 2.359 1.00 21.05 C ATOM 949 CD1 LEU A 397 -8.965 -20.098 1.075 1.00 22.49 C ATOM 950 CD2 LEU A 397 -10.271 -19.253 3.016 1.00 22.04 C ATOM 951 H LEU A 397 -10.010 -22.998 4.111 1.00 0.00 H ATOM 952 N ALA A 398 -12.785 -24.046 3.394 1.00 23.27 N ATOM 953 CA ALA A 398 -13.663 -25.121 2.940 1.00 24.15 C ATOM 954 C ALA A 398 -14.794 -25.421 3.913 1.00 26.83 C ATOM 955 O ALA A 398 -15.389 -26.473 3.842 1.00 26.77 O ATOM 956 CB ALA A 398 -12.851 -26.364 2.652 1.00 25.27 C ATOM 957 H ALA A 398 -12.241 -24.166 4.272 1.00 0.00 H ATOM 958 N GLU A 399 -15.156 -24.472 4.774 1.00 30.58 N ATOM 959 CA GLU A 399 -16.256 -24.675 5.722 1.00 29.59 C ATOM 960 C GLU A 399 -17.603 -24.642 5.038 1.00 30.37 C ATOM 961 O GLU A 399 -17.724 -24.097 3.947 1.00 28.94 O ATOM 962 CB GLU A 399 -16.304 -23.541 6.725 1.00 33.40 C ATOM 963 CG GLU A 399 -15.075 -23.338 7.577 1.00 35.91 C ATOM 964 CD GLU A 399 -14.882 -24.478 8.536 1.00 37.68 C ATOM 965 OE1 GLU A 399 -15.354 -24.351 9.671 1.00 38.03 O ATOM 966 OE2 GLU A 399 -14.294 -25.498 8.126 1.00 40.68 O ATOM 967 H GLU A 399 -14.646 -23.565 4.774 1.00 0.00 H ATOM 968 N GLN A 400 -18.588 -25.226 5.715 1.00 32.30 N ATOM 969 CA GLN A 400 -20.052 -24.909 5.635 1.00 35.75 C ATOM 970 C GLN A 400 -20.800 -26.051 4.958 1.00 40.41 C ATOM 971 O GLN A 400 -21.631 -26.711 5.587 1.00 39.26 O ATOM 972 CB GLN A 400 -20.346 -23.547 4.995 1.00 33.80 C ATOM 973 CG GLN A 400 -21.738 -23.081 4.605 1.00 31.71 C ATOM 974 CD GLN A 400 -21.595 -21.763 3.776 1.00 31.02 C ATOM 975 OE1 GLN A 400 -21.157 -20.761 4.328 1.00 33.30 O ATOM 976 NE2 GLN A 400 -21.889 -21.779 2.455 1.00 29.09 N ATOM 977 HE22 GLN A 400 -22.260 -22.646 2.015 1.00 0.00 H ATOM 978 HE21 GLN A 400 -21.744 -20.925 1.880 1.00 0.00 H ATOM 979 H GLN A 400 -18.313 -25.985 6.371 1.00 0.00 H TER 980 GLN A 400 HETATM 981 O HOH 1 -20.203 3.506 2.438 1.00 39.34 O HETATM 982 O HOH 2 -15.638 -1.636 2.053 1.00 14.04 O HETATM 983 O HOH 3 -25.436 -5.048 -10.480 1.00 24.89 O HETATM 984 O HOH 4 -12.349 -29.387 -7.488 1.00 27.17 O HETATM 985 O HOH 5 -18.413 -24.364 -2.254 1.00 24.91 O HETATM 986 O HOH 6 -5.157 -11.527 9.691 1.00 30.57 O HETATM 987 O HOH 7 -12.806 -20.361 -16.938 1.00 17.58 O HETATM 988 O HOH 8 -17.968 -26.820 7.669 1.00 27.95 O HETATM 989 O HOH 9 -29.786 -20.379 -15.274 1.00 20.36 O HETATM 990 O HOH 10 -22.750 -27.306 -12.250 1.00 24.79 O HETATM 991 O HOH 11 -30.802 -15.832 -11.160 1.00 29.93 O HETATM 992 O HOH 12 -7.170 -11.565 -12.579 1.00 24.01 O HETATM 993 O HOH 13 -20.201 -15.387 8.271 1.00 18.03 O HETATM 994 O HOH 14 -21.757 -18.171 -1.787 1.00 7.35 O HETATM 995 O HOH 15 -29.935 -12.488 -12.399 1.00 22.22 O HETATM 996 O HOH 16 -30.101 -11.315 -4.168 1.00 23.68 O HETATM 997 O HOH 17 -23.849 3.076 -1.587 1.00 33.10 O HETATM 998 O HOH 18 -20.868 -2.938 -13.933 1.00 32.39 O HETATM 999 O HOH 19 -7.283 -24.868 -9.227 1.00 35.19 O HETATM 1000 O HOH 20 -16.908 -31.819 -9.913 1.00 27.52 O HETATM 1001 O HOH 21 -14.693 -32.703 -2.160 1.00 35.75 O HETATM 1002 O HOH 22 -25.580 -23.443 0.480 1.00 31.33 O HETATM 1003 O HOH 23 -25.553 -26.862 -4.687 1.00 33.15 O HETATM 1004 O HOH 24 -12.274 -3.013 8.920 1.00 14.74 O HETATM 1005 O HOH 25 -17.226 -22.900 -15.967 1.00 24.45 O HETATM 1006 O HOH 26 -27.198 -4.423 -2.867 1.00 27.39 O HETATM 1007 O HOH 27 -2.083 -18.308 -16.801 1.00 40.15 O HETATM 1008 O HOH 28 -18.727 -18.574 -15.861 1.00 20.45 O HETATM 1009 O HOH 29 -10.942 -25.508 4.878 1.00 22.77 O HETATM 1010 O HOH 30 -17.025 -30.332 -13.653 1.00 19.39 O HETATM 1011 O HOH 31 -26.873 -21.161 -15.657 1.00 19.56 O HETATM 1012 O HOH 32 -18.027 -26.983 -15.664 1.00 44.72 O HETATM 1013 O HOH 33 -26.462 -21.167 -8.383 1.00 31.92 O HETATM 1014 O HOH 34 -3.843 -12.814 -14.544 1.00 39.47 O HETATM 1015 O HOH 35 -26.545 -14.514 3.304 1.00 32.01 O HETATM 1016 O HOH 36 -9.547 -6.845 10.408 1.00 11.81 O HETATM 1017 O HOH 37 -9.107 -11.971 11.663 1.00 28.84 O HETATM 1018 O HOH 38 -6.282 -16.302 -5.442 1.00 22.56 O HETATM 1019 O HOH 39 -28.966 -8.406 -8.716 1.00 20.99 O HETATM 1020 O HOH 40 -6.315 -9.548 -3.878 1.00 32.40 O HETATM 1021 O HOH 41 -10.059 2.968 4.409 1.00 35.45 O HETATM 1022 O HOH 42 -13.109 -28.749 -16.197 1.00 49.31 O HETATM 1023 O HOH 43 -26.322 -28.920 -6.485 1.00 43.38 O HETATM 1024 O HOH 44 -19.424 -9.010 11.788 1.00 41.22 O HETATM 1025 O HOH 45 -15.349 -6.529 -14.118 1.00 26.39 O HETATM 1026 O HOH 46 -22.344 1.003 -3.443 1.00 31.41 O HETATM 1027 O HOH 47 -7.011 -23.944 -4.268 1.00 34.21 O HETATM 1028 O HOH 48 -28.732 -4.772 -5.086 1.00 23.05 O HETATM 1029 O HOH 49 -20.218 0.552 1.350 1.00 32.57 O HETATM 1030 O HOH 50 -12.709 -28.629 -19.073 1.00 44.70 O HETATM 1031 O HOH 51 -4.863 -9.233 6.763 1.00 23.82 O HETATM 1032 O HOH 52 -5.875 -21.608 -5.498 1.00 38.93 O HETATM 1033 O HOH 53 -13.518 -30.535 -14.268 1.00 39.55 O HETATM 1034 O HOH 54 -23.908 -21.746 4.978 1.00 25.43 O HETATM 1035 O HOH 55 -7.546 -15.106 -11.590 1.00 38.62 O HETATM 1036 O HOH 56 -29.887 -20.059 5.995 1.00 44.83 O HETATM 1037 O HOH 57 -6.386 -6.230 3.156 1.00 28.83 O HETATM 1038 O HOH 58 -26.031 -21.825 -13.202 1.00 11.97 O HETATM 1039 O HOH 59 -14.916 1.287 3.256 1.00 50.74 O HETATM 1040 O HOH 60 -19.653 -15.881 11.023 1.00 34.47 O HETATM 1041 O HOH 61 -25.685 -18.233 -1.604 1.00 39.72 O HETATM 1042 O HOH 62 -9.055 -0.625 -8.991 1.00 47.78 O HETATM 1043 O HOH 63 -3.647 -10.985 -9.591 1.00 38.38 O HETATM 1044 O HOH 64 -28.496 -17.691 -6.365 1.00 35.33 O HETATM 1045 O HOH 65 -6.257 -19.180 -17.840 1.00 20.95 O HETATM 1046 O HOH 66 -22.131 -25.525 2.580 1.00 23.64 O HETATM 1047 O HOH 67 -19.347 -21.303 -17.166 1.00 28.04 O HETATM 1048 O HOH 68 -22.492 -23.338 8.711 1.00 34.44 O HETATM 1049 O HOH 69 -18.033 -18.037 -19.938 1.00 32.13 O HETATM 1050 O HOH 70 -8.683 -24.997 3.047 1.00 36.57 O HETATM 1051 O HOH 71 -31.992 -13.850 -6.720 1.00 41.75 O HETATM 1052 O HOH 72 -14.702 -23.992 14.276 1.00 41.30 O HETATM 1053 O HOH 73 -32.062 -20.385 -16.660 1.00 29.55 O HETATM 1054 O HOH 74 -27.457 -15.599 1.311 1.00 32.95 O HETATM 1055 O HOH 75 -18.774 -13.812 12.342 1.00 21.52 O HETATM 1056 O HOH 76 -22.066 -19.172 -21.579 1.00 38.09 O HETATM 1057 O HOH 77 -28.264 -18.049 10.662 1.00 40.77 O HETATM 1058 O HOH 78 -6.856 -24.025 -6.839 1.00 38.52 O HETATM 1059 O HOH 79 -29.174 -12.115 -0.450 1.00 40.26 O HETATM 1060 O HOH 80 -5.495 -23.687 1.955 1.00 39.64 O HETATM 1061 O HOH 81 -24.610 -24.746 9.495 1.00 48.11 O HETATM 1062 O HOH 82 -15.493 -21.050 -17.364 1.00 20.14 O HETATM 1063 O HOH 83 -15.170 0.690 -9.142 1.00 45.92 O HETATM 1064 O HOH 84 -21.113 -18.160 11.798 1.00 35.32 O HETATM 1065 O HOH 85 -26.615 -18.229 1.833 1.00 42.87 O HETATM 1066 O HOH 86 -28.188 -26.861 -4.328 1.00 38.39 O HETATM 1067 O HOH 87 -5.933 -16.991 -9.701 1.00 37.44 O HETATM 1068 O HOH 88 -26.666 -29.106 -2.280 1.00 43.94 O HETATM 1069 O HOH 89 -4.282 -16.879 -7.177 1.00 32.04 O HETATM 1070 O HOH 90 -23.595 3.725 -4.359 1.00 34.81 O HETATM 1071 O HOH 91 -6.343 -26.628 2.104 1.00 50.96 O HETATM 1072 O HOH 92 -16.442 -18.315 -17.240 1.00 21.28 O HETATM 1073 O HOH 93 -21.374 -16.350 -21.138 1.00 33.32 O HETATM 1074 O HOH 94 -25.239 -5.168 -17.382 1.00 16.85 O HETATM 1075 N LYS A 95 -17.145 -9.139 -21.914 1.00 0.24 N HETATM 1076 CA LYS A 95 -16.604 -10.442 -21.399 1.00 0.07 C HETATM 1077 C LYS A 95 -15.384 -10.139 -20.519 1.00 0.23 C HETATM 1078 O LYS A 95 -14.439 -10.956 -20.473 1.00 -0.39 O HETATM 1079 N LYS A 95 -15.491 -9.118 -19.643 1.00 -0.26 N HETATM 1080 CA LYS A 95 -16.496 -9.104 -18.516 1.00 0.15 C HETATM 1081 C LYS A 95 -17.692 -9.962 -18.622 1.00 0.21 C HETATM 1082 O LYS A 95 -18.681 -9.661 -19.300 1.00 -0.39 O HETATM 1083 N LYS A 95 -17.582 -11.028 -17.871 1.00 -0.26 N HETATM 1084 CA LYS A 95 -18.587 -12.020 -17.803 1.00 0.13 C HETATM 1085 C LYS A 95 -19.785 -11.679 -16.911 1.00 0.20 C HETATM 1086 O LYS A 95 -20.720 -12.439 -16.877 1.00 -0.39 O HETATM 1087 N LYS A 95 -19.762 -10.545 -16.220 1.00 -0.26 N HETATM 1088 CA LYS A 95 -20.900 -10.087 -15.404 1.00 0.14 C HETATM 1089 C LYS A 95 -22.104 -9.831 -16.292 1.00 0.21 C HETATM 1090 O LYS A 95 -21.986 -9.152 -17.327 1.00 -0.39 O HETATM 1091 N LYS A 95 -23.228 -10.459 -15.909 1.00 -0.26 N HETATM 1092 CA LYS A 95 -24.490 -10.328 -16.592 1.00 0.14 C HETATM 1093 C LYS A 95 -24.522 -10.989 -17.966 1.00 0.21 C HETATM 1094 O LYS A 95 -25.459 -10.787 -18.722 1.00 -0.39 O HETATM 1095 N LYS A 95 -23.538 -11.817 -18.274 1.00 -0.27 N HETATM 1096 CA LYS A 95 -23.559 -12.558 -19.513 1.00 0.10 C HETATM 1097 C LYS A 95 -23.705 -14.067 -19.274 1.00 0.06 C HETATM 1098 O LYS A 95 -24.012 -14.598 -18.176 1.00 -0.57 O HETATM 1099 OXT LYS A 95 -23.489 -14.792 -20.260 1.00 -0.57 O HETATM 1100 CB LYS A 95 -22.285 -12.268 -20.313 1.00 -0.00 C HETATM 1101 CG LYS A 95 -22.007 -10.793 -20.453 1.00 0.04 C HETATM 1102 CD LYS A 95 -21.148 -10.404 -21.624 1.00 0.18 C HETATM 1103 NZ LYS A 95 -20.114 -11.139 -22.112 1.00 -0.29 N HETATM 1104 CE LYS A 95 -19.606 -12.465 -21.697 1.00 0.03 C HETATM 1105 CD LYS A 95 -18.237 -13.020 -22.163 1.00 -0.03 C HETATM 1106 CG LYS A 95 -17.442 -12.180 -23.182 1.00 -0.04 C HETATM 1107 CB LYS A 95 -16.260 -11.413 -22.560 1.00 0.01 C HETATM 1108 H5 LYS A 95 -15.544 -12.155 -22.175 1.00 0.03 H HETATM 1109 H6 LYS A 95 -15.785 -10.825 -23.359 1.00 0.03 H HETATM 1110 H7 LYS A 95 -17.050 -12.854 -23.958 1.00 0.03 H HETATM 1111 H8 LYS A 95 -18.126 -11.451 -23.641 1.00 0.03 H HETATM 1112 H9 LYS A 95 -17.607 -13.138 -21.269 1.00 0.03 H HETATM 1113 H10 LYS A 95 -18.418 -14.006 -22.617 1.00 0.03 H HETATM 1114 H11 LYS A 95 -19.569 -12.446 -20.598 1.00 0.05 H HETATM 1115 H12 LYS A 95 -20.359 -13.196 -22.026 1.00 0.05 H HETATM 1116 H13 LYS A 95 -19.619 -10.717 -22.871 1.00 0.18 H HETATM 1117 OE2 LYS A 95 -21.411 -9.318 -22.109 1.00 -0.40 O HETATM 1118 H50 LYS A 95 -21.503 -10.455 -19.536 1.00 0.05 H HETATM 1119 H51 LYS A 95 -22.972 -10.274 -20.554 1.00 0.05 H HETATM 1120 H48 LYS A 95 -22.394 -12.702 -21.318 1.00 0.03 H HETATM 1121 H49 LYS A 95 -21.433 -12.739 -19.801 1.00 0.03 H HETATM 1122 H47 LYS A 95 -24.425 -12.220 -20.101 1.00 0.07 H HETATM 1123 H46 LYS A 95 -22.771 -11.931 -17.642 1.00 0.19 H HETATM 1124 CB LYS A 95 -24.888 -8.824 -16.669 1.00 0.04 C HETATM 1125 CG LYS A 95 -24.990 -8.219 -15.328 1.00 0.04 C HETATM 1126 OD1 LYS A 95 -25.360 -8.971 -14.429 1.00 -0.57 O HETATM 1127 OD2 LYS A 95 -24.729 -7.021 -15.134 1.00 -0.57 O HETATM 1128 H44 LYS A 95 -25.861 -8.738 -17.174 1.00 0.05 H HETATM 1129 H45 LYS A 95 -24.125 -8.282 -17.248 1.00 0.05 H HETATM 1130 H43 LYS A 95 -25.245 -10.840 -15.977 1.00 0.08 H HETATM 1131 H42 LYS A 95 -23.187 -11.051 -15.104 1.00 0.19 H HETATM 1132 CB LYS A 95 -20.550 -8.817 -14.584 1.00 0.00 C HETATM 1133 CG LYS A 95 -19.643 -9.146 -13.481 1.00 -0.04 C HETATM 1134 CD1 LYS A 95 -18.323 -8.818 -13.359 1.00 0.02 C HETATM 1135 NE1 LYS A 95 -17.794 -9.384 -12.197 1.00 -0.29 N HETATM 1136 CE2 LYS A 95 -18.795 -10.063 -11.553 1.00 0.06 C HETATM 1137 CD2 LYS A 95 -19.968 -9.948 -12.345 1.00 -0.02 C HETATM 1138 CE3 LYS A 95 -21.141 -10.592 -11.919 1.00 -0.07 C HETATM 1139 CZ3 LYS A 95 -21.126 -11.290 -10.716 1.00 -0.08 C HETATM 1140 CH2 LYS A 95 -19.955 -11.376 -9.934 1.00 -0.08 C HETATM 1141 CZ2 LYS A 95 -18.776 -10.782 -10.332 1.00 -0.04 C HETATM 1142 H39 LYS A 95 -17.874 -10.862 -9.737 1.00 0.05 H HETATM 1143 H41 LYS A 95 -19.983 -11.922 -8.998 1.00 0.05 H HETATM 1144 H40 LYS A 95 -22.032 -11.777 -10.373 1.00 0.05 H HETATM 1145 H38 LYS A 95 -22.043 -10.546 -12.518 1.00 0.05 H HETATM 1146 H37 LYS A 95 -16.818 -9.305 -11.878 1.00 0.22 H HETATM 1147 H36 LYS A 95 -17.765 -8.205 -14.065 1.00 0.08 H HETATM 1148 H34 LYS A 95 -21.475 -8.386 -14.174 1.00 0.04 H HETATM 1149 H35 LYS A 95 -20.064 -8.083 -15.244 1.00 0.04 H HETATM 1150 H33 LYS A 95 -21.156 -10.888 -14.695 1.00 0.08 H HETATM 1151 H32 LYS A 95 -18.939 -9.979 -16.255 1.00 0.19 H HETATM 1152 CB LYS A 95 -17.913 -13.328 -17.410 1.00 -0.01 C HETATM 1153 CG LYS A 95 -17.102 -13.850 -18.585 1.00 -0.02 C HETATM 1154 CD LYS A 95 -16.224 -15.001 -18.174 1.00 0.06 C HETATM 1155 NE LYS A 95 -15.026 -14.556 -17.484 1.00 -0.27 N HETATM 1156 CZ LYS A 95 -14.236 -15.363 -16.796 1.00 0.29 C HETATM 1157 NH1 LYS A 95 -14.513 -16.672 -16.672 1.00 -0.28 N HETATM 1158 H28 LYS A 95 -13.884 -17.283 -16.131 1.00 0.26 H HETATM 1159 H29 LYS A 95 -15.354 -17.065 -17.117 1.00 0.26 H HETATM 1160 NH2 LYS A 95 -13.151 -14.851 -16.229 1.00 -0.28 N HETATM 1161 H30 LYS A 95 -12.944 -13.847 -16.327 1.00 0.26 H HETATM 1162 H31 LYS A 95 -12.516 -15.458 -15.691 1.00 0.26 H HETATM 1163 H27 LYS A 95 -14.778 -13.557 -17.533 1.00 0.26 H HETATM 1164 H25 LYS A 95 -15.928 -15.560 -19.074 1.00 0.07 H HETATM 1165 H26 LYS A 95 -16.795 -15.661 -17.504 1.00 0.07 H HETATM 1166 H23 LYS A 95 -16.470 -13.038 -18.973 1.00 0.03 H HETATM 1167 H24 LYS A 95 -17.790 -14.188 -19.374 1.00 0.03 H HETATM 1168 H21 LYS A 95 -18.679 -14.068 -17.135 1.00 0.03 H HETATM 1169 H22 LYS A 95 -17.247 -13.154 -16.552 1.00 0.03 H HETATM 1170 H20 LYS A 95 -18.989 -12.144 -18.819 1.00 0.08 H HETATM 1171 H19 LYS A 95 -16.754 -11.146 -17.323 1.00 0.19 H HETATM 1172 CB LYS A 95 -16.954 -7.763 -17.993 1.00 0.08 C HETATM 1173 OG LYS A 95 -17.513 -8.016 -16.694 1.00 -0.39 O HETATM 1174 H18 LYS A 95 -17.819 -7.199 -16.317 1.00 0.21 H HETATM 1175 H16 LYS A 95 -17.715 -7.332 -18.660 1.00 0.06 H HETATM 1176 H17 LYS A 95 -16.102 -7.072 -17.915 1.00 0.06 H HETATM 1177 H15 LYS A 95 -15.922 -9.540 -17.686 1.00 0.08 H HETATM 1178 H14 LYS A 95 -14.877 -8.335 -19.745 1.00 0.19 H HETATM 1179 H4 LYS A 95 -17.374 -10.921 -20.776 1.00 0.11 H HETATM 1180 H1 LYS A 95 -17.949 -9.316 -22.496 1.00 0.20 H HETATM 1181 H2 LYS A 95 -16.435 -8.671 -22.455 1.00 0.20 H HETATM 1182 H3 LYS A 95 -17.414 -8.556 -21.137 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1075 1076 1180 1181 1182 CONECT 1076 1075 1077 1107 1179 CONECT 1077 1076 1078 1079 CONECT 1078 1077 CONECT 1079 1077 1080 1178 CONECT 1080 1079 1081 1172 1177 CONECT 1081 1080 1082 1083 CONECT 1082 1081 CONECT 1083 1081 1084 1171 CONECT 1084 1083 1085 1152 1170 CONECT 1085 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 1088 1151 CONECT 1088 1087 1089 1132 1150 CONECT 1089 1088 1090 1091 CONECT 1090 1089 CONECT 1091 1089 1092 1131 CONECT 1092 1091 1093 1124 1130 CONECT 1093 1092 1094 1095 CONECT 1094 1093 CONECT 1095 1093 1096 1123 CONECT 1096 1095 1097 1100 1122 CONECT 1097 1096 1098 1099 CONECT 1098 1097 CONECT 1099 1097 CONECT 1100 1096 1101 1120 1121 CONECT 1101 1100 1102 1118 1119 CONECT 1102 1101 1103 1117 CONECT 1103 1102 1104 1116 CONECT 1104 1103 1105 1114 1115 CONECT 1105 1104 1106 1112 1113 CONECT 1106 1105 1107 1110 1111 CONECT 1107 1076 1106 1108 1109 CONECT 1108 1107 CONECT 1109 1107 CONECT 1110 1106 CONECT 1111 1106 CONECT 1112 1105 CONECT 1113 1105 CONECT 1114 1104 CONECT 1115 1104 CONECT 1116 1103 CONECT 1117 1102 CONECT 1118 1101 CONECT 1119 1101 CONECT 1120 1100 CONECT 1121 1100 CONECT 1122 1096 CONECT 1123 1095 CONECT 1124 1092 1125 1128 1129 CONECT 1125 1124 1126 1127 CONECT 1126 1125 CONECT 1127 1125 CONECT 1128 1124 CONECT 1129 1124 CONECT 1130 1092 CONECT 1131 1091 CONECT 1132 1088 1133 1148 1149 CONECT 1133 1132 1134 1137 CONECT 1134 1133 1135 1147 CONECT 1135 1134 1136 1146 CONECT 1136 1135 1137 1141 CONECT 1137 1133 1136 1138 CONECT 1138 1137 1139 1145 CONECT 1139 1138 1140 1144 CONECT 1140 1139 1141 1143 CONECT 1141 1136 1140 1142 CONECT 1142 1141 CONECT 1143 1140 CONECT 1144 1139 CONECT 1145 1138 CONECT 1146 1135 CONECT 1147 1134 CONECT 1148 1132 CONECT 1149 1132 CONECT 1150 1088 CONECT 1151 1087 CONECT 1152 1084 1153 1168 1169 CONECT 1153 1152 1154 1166 1167 CONECT 1154 1153 1155 1164 1165 CONECT 1155 1154 1156 1163 CONECT 1156 1155 1157 1160 CONECT 1157 1156 1158 1159 CONECT 1158 1157 CONECT 1159 1157 CONECT 1160 1156 1161 1162 CONECT 1161 1160 CONECT 1162 1160 CONECT 1163 1155 CONECT 1164 1154 CONECT 1165 1154 CONECT 1166 1153 CONECT 1167 1153 CONECT 1168 1152 CONECT 1169 1152 CONECT 1170 1084 CONECT 1171 1083 CONECT 1172 1080 1173 1175 1176 CONECT 1173 1172 1174 CONECT 1174 1173 CONECT 1175 1172 CONECT 1176 1172 CONECT 1177 1080 CONECT 1178 1079 CONECT 1179 1076 CONECT 1180 1075 CONECT 1181 1075 CONECT 1182 1075 MASTER 0 0 0 0 0 0 0 0 1181 1 112 8 END
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Protein Sequence Similarity
2peh
RCSB PDB
PDBbind
105aa, >2PEH_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
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PDBbind
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RCSB PDB
PDBbind
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PDBbind
6-mer
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6-mer
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PDBbind
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PDBbind
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3nth
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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4gye
RCSB PDB
PDBbind
6-mer
4gzf
RCSB PDB
PDBbind
6-mer
4ifi
RCSB PDB
PDBbind
6-mer
4ikn
RCSB PDB
PDBbind
6-mer
4j09
RCSB PDB
PDBbind
6-mer
4j77
RCSB PDB
PDBbind
6-mer
4j79
RCSB PDB
PDBbind
6-mer
4j86
RCSB PDB
PDBbind
6-mer
4j8b
RCSB PDB
PDBbind
6-mer
4jj7
RCSB PDB
PDBbind
6-mer
4jj8
RCSB PDB
PDBbind
6-mer
4jje
RCSB PDB
PDBbind
6-mer
4jr0
RCSB PDB
PDBbind
6-mer
4k3o
RCSB PDB
PDBbind
6-mer
4k3p
RCSB PDB
PDBbind
6-mer
4k3q
RCSB PDB
PDBbind
6-mer
4k3r
RCSB PDB
PDBbind
6-mer
4ny3
RCSB PDB
PDBbind
6-mer
4o9w
RCSB PDB
PDBbind
6-mer
4ou3
RCSB PDB
PDBbind
6-mer
4tsz
RCSB PDB
PDBbind
6-mer
4tt2
RCSB PDB
PDBbind
6-mer
4wk2
RCSB PDB
PDBbind
6-mer
4wvt
RCSB PDB
PDBbind
6-mer
4x9r
RCSB PDB
PDBbind
6-mer
4x9v
RCSB PDB
PDBbind
6-mer
4ynl
RCSB PDB
PDBbind
6-mer
5a2i
RCSB PDB
PDBbind
6-mer
5a2j
RCSB PDB
PDBbind
6-mer
5a2k
RCSB PDB
PDBbind
6-mer
5e1b
RCSB PDB
PDBbind
6-mer
5e1d
RCSB PDB
PDBbind
6-mer
5e1m
RCSB PDB
PDBbind
6-mer
5e1o
RCSB PDB
PDBbind
6-mer
5epk
RCSB PDB
PDBbind
6-mer
5epl
RCSB PDB
PDBbind
6-mer
5eq0
RCSB PDB
PDBbind
6-mer
5fot
RCSB PDB
PDBbind
6-mer
5fou
RCSB PDB
PDBbind
6-mer
5fov
RCSB PDB
PDBbind
6-mer
5fow
RCSB PDB
PDBbind
6-mer
5fox
RCSB PDB
PDBbind
6-mer
5fpk
RCSB PDB
PDBbind
6-mer
5gwz
RCSB PDB
PDBbind
6-mer
5hvp
RCSB PDB
PDBbind
6-mer
5izf
RCSB PDB
PDBbind
6-mer
5l7k
RCSB PDB
PDBbind
6-mer
5lrg
RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
6-mer
5lrk
RCSB PDB
PDBbind
6-mer
5tpc
RCSB PDB
PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6asz
RCSB PDB
PDBbind
6-mer
6at0
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
RCSB PDB
PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
RCSB PDB
PDBbind
6-mer
7hvp
RCSB PDB
PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsx
RCSB PDB
PDBbind
6-mer
6nsv
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
6efk
RCSB PDB
PDBbind
6-mer
6a30
RCSB PDB
PDBbind
6-mer
5zw6
RCSB PDB
PDBbind
6-mer
5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
5lso
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Splicing factor 45, SPF45 UHM domain
Ligand Name
6-mer
EC.Number
E.C.-.-.-.-
Resolution
2.22(Å)
Affinity (Kd/Ki/IC50)
Kd=1.4uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Med. Chem. Vol. 59: pp. 10190-10197
Ligand Properties
Formula
C
3
5
H
5
3
N
1
1
O
1
1
Molecular Weight
803.862
Exact Mass
803.393
No. of atoms
110
No. of bonds
112
Polar Surface Area
378.87
LOGP Value
-0.97 (
Computed with XLOGP3
)
-3.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 3
Canonical SMILES
OC[C@@H]1NC(=O)[C@@H]([NH3+])CCCCNC(=O)CC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCC[NH+]=C(N)N)Cc1c[nH]c2c1cccc2)CC(=O)O)C(=O)O
InChI String
InChI=1S/C35H51N11O11/c36-20-7-3-4-12-39-27(48)11-10-23(34(56)57)43-32(54)25(15-28(49)50)45-31(53)24(14-18-16-41-21-8-2-1-6-19(18)21)44-30(52)22(9-5-13-40-35(37)38)42-33(55)26(17-47)46-29(20)51/h1-2,6,8,16,20,22-26,41,47H,3-5,7,9-15,17,36H2,(H,39,48)(H,42,55)(H,43,54)(H,44,52)(H,45,53)(H,46,51)(H,49,50)(H,56,57)(H4,37,38,40)/p+2/t20-,22-,23-,24-,25-,26-/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):
Q96I25
Entrez Gene ID
NCBI Entrez Gene ID:
84991
ASD
Information of known allosteric effects of PDB entries
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