Browse entries in the PDBbind-CN Database
HEADER 4OEE_COMPLEX COMPND 4OEE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 132 PHE PRO PRO GLY HIS PHE LYS ASP PRO LYS ARG LEU TYR SEQRES 2 A 132 CYS LYS ASN GLY GLY PHE PHE LEU ARG ILE HIS PRO ASP SEQRES 3 A 132 GLY ARG VAL ASP GLY VAL ARG GLU LYS SER ASP PRO HIS SEQRES 4 A 132 ILE LYS LEU GLN LEU GLN ALA GLU GLU ARG GLY VAL VAL SEQRES 5 A 132 SER ILE LYS GLY VAL SER ALA ASN ARG TYR LEU ALA MET SEQRES 6 A 132 LYS GLU ASP GLY ARG LEU LEU ALA SER LYS SER VAL THR SEQRES 7 A 132 ASP GLU CYS PHE PHE PHE GLU ARG LEU GLU SER ASN ASN SEQRES 8 A 132 TYR ASN THR TYR ARG SER ARG LYS TYR THR SER TRP TYR SEQRES 9 A 132 VAL ALA LEU LYS ARG THR GLY GLN TYR LYS LEU GLY SER SEQRES 10 A 132 LYS THR GLY PRO GLY GLN LYS ALA ILE LEU PHE LEU PRO SEQRES 11 A 132 MET SER HET GNX A 240 56 ATOM 1 N PHE A 12 -8.926 -25.813 18.243 1.00 19.01 N ATOM 2 CA PHE A 12 -9.267 -24.633 19.032 1.00 13.56 C ATOM 3 C PHE A 12 -9.487 -24.991 20.502 1.00 17.04 C ATOM 4 O PHE A 12 -10.186 -25.959 20.816 1.00 17.54 O ATOM 5 CB PHE A 12 -10.507 -23.933 18.448 1.00 14.41 C ATOM 6 CG PHE A 12 -10.282 -23.332 17.078 1.00 11.89 C ATOM 7 CD1 PHE A 12 -9.657 -22.096 16.940 1.00 12.69 C ATOM 8 CD2 PHE A 12 -10.695 -23.995 15.935 1.00 13.43 C ATOM 9 CE1 PHE A 12 -9.440 -21.540 15.685 1.00 12.92 C ATOM 10 CE2 PHE A 12 -10.478 -23.446 14.673 1.00 11.44 C ATOM 11 CZ PHE A 12 -9.853 -22.216 14.546 1.00 10.67 C ATOM 12 HN3 PHE A 12 -9.701 -26.504 18.303 1.00 0.00 H ATOM 13 HN2 PHE A 12 -8.052 -26.237 18.615 1.00 0.00 H ATOM 14 HN1 PHE A 12 -8.783 -25.536 17.251 1.00 0.00 H ATOM 15 N PRO A 13 -8.897 -24.202 21.408 1.00 15.92 N ATOM 16 CA PRO A 13 -9.007 -24.427 22.854 1.00 18.57 C ATOM 17 C PRO A 13 -10.418 -24.115 23.369 1.00 16.27 C ATOM 18 O PRO A 13 -11.152 -23.378 22.711 1.00 13.74 O ATOM 19 CB PRO A 13 -7.990 -23.443 23.430 1.00 19.13 C ATOM 20 CG PRO A 13 -7.941 -22.331 22.432 1.00 20.53 C ATOM 21 CD PRO A 13 -8.127 -22.983 21.093 1.00 16.42 C ATOM 22 N PRO A 14 -10.800 -24.683 24.527 1.00 16.30 N ATOM 23 CA PRO A 14 -12.148 -24.508 25.084 1.00 15.20 C ATOM 24 C PRO A 14 -12.587 -23.046 25.193 1.00 14.54 C ATOM 25 O PRO A 14 -13.757 -22.740 24.920 1.00 13.22 O ATOM 26 CB PRO A 14 -12.024 -25.127 26.479 1.00 18.40 C ATOM 27 CG PRO A 14 -10.974 -26.169 26.316 1.00 22.81 C ATOM 28 CD PRO A 14 -9.973 -25.569 25.366 1.00 21.55 C ATOM 29 N GLY A 15 -11.664 -22.162 25.563 1.00 13.36 N ATOM 30 CA GLY A 15 -11.976 -20.753 25.750 1.00 13.85 C ATOM 31 C GLY A 15 -12.466 -20.065 24.487 1.00 13.80 C ATOM 32 O GLY A 15 -13.201 -19.075 24.537 1.00 13.52 O ATOM 33 H GLY A 15 -10.690 -22.488 25.724 1.00 0.00 H ATOM 34 N HIS A 16 -12.047 -20.593 23.343 1.00 11.94 N ATOM 35 CA HIS A 16 -12.467 -20.072 22.050 1.00 9.95 C ATOM 36 C HIS A 16 -13.990 -20.155 21.903 1.00 10.63 C ATOM 37 O HIS A 16 -14.620 -19.270 21.312 1.00 12.03 O ATOM 38 CB HIS A 16 -11.744 -20.853 20.947 1.00 11.39 C ATOM 39 CG HIS A 16 -12.299 -20.649 19.574 1.00 8.92 C ATOM 40 ND1 HIS A 16 -12.057 -19.514 18.831 1.00 11.43 N ATOM 41 CD2 HIS A 16 -13.060 -21.455 18.795 1.00 13.33 C ATOM 42 CE1 HIS A 16 -12.656 -19.624 17.658 1.00 11.49 C ATOM 43 NE2 HIS A 16 -13.274 -20.791 17.614 1.00 11.39 N ATOM 44 H HIS A 16 -11.398 -21.405 23.372 1.00 0.00 H ATOM 45 N PHE A 17 -14.584 -21.198 22.476 1.00 10.50 N ATOM 46 CA PHE A 17 -16.023 -21.380 22.414 1.00 11.73 C ATOM 47 C PHE A 17 -16.744 -20.756 23.611 1.00 14.52 C ATOM 48 O PHE A 17 -17.840 -20.210 23.466 1.00 15.87 O ATOM 49 CB PHE A 17 -16.359 -22.866 22.299 1.00 10.29 C ATOM 50 CG PHE A 17 -15.703 -23.541 21.127 1.00 11.79 C ATOM 51 CD1 PHE A 17 -14.564 -24.308 21.305 1.00 12.63 C ATOM 52 CD2 PHE A 17 -16.216 -23.401 19.848 1.00 11.92 C ATOM 53 CE1 PHE A 17 -13.953 -24.935 20.236 1.00 13.67 C ATOM 54 CE2 PHE A 17 -15.600 -24.026 18.766 1.00 10.43 C ATOM 55 CZ PHE A 17 -14.473 -24.791 18.963 1.00 11.00 C ATOM 56 H PHE A 17 -14.004 -21.899 22.980 1.00 0.00 H ATOM 57 N LYS A 18 -16.125 -20.819 24.786 1.00 10.63 N ATOM 58 CA LYS A 18 -16.770 -20.349 26.009 1.00 12.82 C ATOM 59 C LYS A 18 -17.005 -18.838 26.021 1.00 12.02 C ATOM 60 O LYS A 18 -18.082 -18.366 26.399 1.00 16.46 O ATOM 61 CB LYS A 18 -15.946 -20.767 27.232 1.00 11.58 C ATOM 62 CG LYS A 18 -16.604 -20.419 28.558 1.00 11.38 C ATOM 63 CD LYS A 18 -15.736 -20.813 29.737 1.00 12.98 C ATOM 64 CE LYS A 18 -16.405 -20.424 31.041 1.00 13.38 C ATOM 65 NZ LYS A 18 -15.597 -20.863 32.206 1.00 19.25 N ATOM 66 HZ1 LYS A 18 -15.489 -21.897 32.182 1.00 0.00 H ATOM 67 HZ2 LYS A 18 -14.660 -20.414 32.165 1.00 0.00 H ATOM 68 HZ3 LYS A 18 -16.078 -20.584 33.085 1.00 0.00 H ATOM 69 H LYS A 18 -15.163 -21.211 24.835 1.00 0.00 H ATOM 70 N ASP A 19 -15.987 -18.087 25.626 1.00 11.52 N ATOM 71 CA ASP A 19 -16.014 -16.629 25.671 1.00 12.94 C ATOM 72 C ASP A 19 -16.719 -16.072 24.430 1.00 11.97 C ATOM 73 O ASP A 19 -16.391 -16.457 23.308 1.00 11.91 O ATOM 74 CB ASP A 19 -14.564 -16.122 25.739 1.00 13.89 C ATOM 75 CG ASP A 19 -14.443 -14.605 25.604 1.00 20.52 C ATOM 76 OD1 ASP A 19 -15.156 -13.878 26.332 1.00 22.44 O ATOM 77 OD2 ASP A 19 -13.619 -14.137 24.779 1.00 23.79 O ATOM 78 H ASP A 19 -15.131 -18.558 25.268 1.00 0.00 H ATOM 79 N PRO A 20 -17.706 -15.172 24.617 1.00 8.89 N ATOM 80 CA PRO A 20 -18.301 -14.519 23.443 1.00 7.64 C ATOM 81 C PRO A 20 -17.247 -13.768 22.633 1.00 8.81 C ATOM 82 O PRO A 20 -16.283 -13.246 23.201 1.00 12.37 O ATOM 83 CB PRO A 20 -19.311 -13.540 24.060 1.00 10.48 C ATOM 84 CG PRO A 20 -19.687 -14.205 25.367 1.00 11.11 C ATOM 85 CD PRO A 20 -18.393 -14.789 25.863 1.00 10.30 C ATOM 86 N LYS A 21 -17.426 -13.729 21.318 1.00 7.49 N ATOM 87 CA LYS A 21 -16.428 -13.151 20.426 1.00 8.90 C ATOM 88 C LYS A 21 -17.044 -12.105 19.516 1.00 8.20 C ATOM 89 O LYS A 21 -18.229 -12.191 19.170 1.00 11.46 O ATOM 90 CB LYS A 21 -15.829 -14.237 19.528 1.00 8.63 C ATOM 91 CG LYS A 21 -15.142 -15.385 20.241 1.00 8.34 C ATOM 92 CD LYS A 21 -13.885 -14.908 20.958 1.00 10.26 C ATOM 93 CE LYS A 21 -13.095 -16.082 21.521 1.00 12.50 C ATOM 94 NZ LYS A 21 -13.758 -16.647 22.708 1.00 16.25 N ATOM 95 HZ1 LYS A 21 -13.835 -15.914 23.442 1.00 0.00 H ATOM 96 HZ2 LYS A 21 -14.708 -16.979 22.447 1.00 0.00 H ATOM 97 HZ3 LYS A 21 -13.197 -17.445 23.070 1.00 0.00 H ATOM 98 H LYS A 21 -18.301 -14.121 20.914 1.00 0.00 H ATOM 99 N ARG A 22 -16.225 -11.135 19.114 1.00 9.67 N ATOM 100 CA ARG A 22 -16.535 -10.299 17.960 1.00 8.95 C ATOM 101 C ARG A 22 -15.729 -10.874 16.802 1.00 8.91 C ATOM 102 O ARG A 22 -14.562 -11.213 16.980 1.00 11.18 O ATOM 103 CB ARG A 22 -16.093 -8.847 18.198 1.00 11.01 C ATOM 104 CG ARG A 22 -16.623 -8.199 19.471 1.00 15.72 C ATOM 105 CD ARG A 22 -16.148 -6.750 19.600 1.00 20.05 C ATOM 106 NE ARG A 22 -14.698 -6.600 19.463 1.00 25.86 N ATOM 107 CZ ARG A 22 -13.931 -5.939 20.326 1.00 25.66 C ATOM 108 NH1 ARG A 22 -14.476 -5.375 21.394 1.00 19.61 N ATOM 109 NH2 ARG A 22 -12.622 -5.845 20.125 1.00 29.27 N ATOM 110 HE ARG A 22 -14.239 -7.038 18.639 1.00 0.00 H ATOM 111 HH12 ARG A 22 -13.879 -4.858 22.070 1.00 0.00 H ATOM 112 HH11 ARG A 22 -15.501 -5.450 21.556 1.00 0.00 H ATOM 113 HH22 ARG A 22 -12.028 -5.327 20.803 1.00 0.00 H ATOM 114 HH21 ARG A 22 -12.191 -6.289 19.289 1.00 0.00 H ATOM 115 H ARG A 22 -15.341 -10.969 19.637 1.00 0.00 H ATOM 116 N LEU A 23 -16.333 -11.008 15.628 1.00 5.68 N ATOM 117 CA LEU A 23 -15.601 -11.542 14.473 1.00 6.03 C ATOM 118 C LEU A 23 -15.166 -10.394 13.575 1.00 6.98 C ATOM 119 O LEU A 23 -15.972 -9.827 12.842 1.00 7.21 O ATOM 120 CB LEU A 23 -16.436 -12.572 13.695 1.00 7.09 C ATOM 121 CG LEU A 23 -16.618 -13.949 14.355 1.00 9.18 C ATOM 122 CD1 LEU A 23 -17.499 -14.870 13.520 1.00 8.44 C ATOM 123 CD2 LEU A 23 -15.286 -14.606 14.614 1.00 12.95 C ATOM 124 H LEU A 23 -17.331 -10.733 15.526 1.00 0.00 H ATOM 125 N TYR A 24 -13.881 -10.057 13.648 1.00 5.67 N ATOM 126 CA TYR A 24 -13.319 -8.917 12.934 1.00 6.16 C ATOM 127 C TYR A 24 -12.872 -9.338 11.533 1.00 5.83 C ATOM 128 O TYR A 24 -11.941 -10.126 11.381 1.00 6.80 O ATOM 129 CB TYR A 24 -12.135 -8.367 13.735 1.00 6.62 C ATOM 130 CG TYR A 24 -11.357 -7.265 13.055 1.00 7.59 C ATOM 131 CD1 TYR A 24 -11.753 -5.935 13.166 1.00 8.76 C ATOM 132 CD2 TYR A 24 -10.207 -7.556 12.328 1.00 8.63 C ATOM 133 CE1 TYR A 24 -11.025 -4.925 12.558 1.00 7.84 C ATOM 134 CE2 TYR A 24 -9.477 -6.562 11.716 1.00 9.30 C ATOM 135 CZ TYR A 24 -9.891 -5.254 11.827 1.00 10.54 C ATOM 136 OH TYR A 24 -9.157 -4.263 11.213 1.00 13.76 O ATOM 137 HH TYR A 24 -9.581 -3.385 11.385 1.00 0.00 H ATOM 138 H TYR A 24 -13.249 -10.632 14.241 1.00 0.00 H ATOM 139 N CYS A 25 -13.532 -8.816 10.503 1.00 6.13 N ATOM 140 CA CYS A 25 -13.208 -9.220 9.142 1.00 6.14 C ATOM 141 C CYS A 25 -12.012 -8.460 8.611 1.00 6.88 C ATOM 142 O CYS A 25 -11.987 -7.226 8.663 1.00 7.60 O ATOM 143 CB CYS A 25 -14.415 -9.007 8.216 1.00 6.81 C ATOM 144 SG CYS A 25 -14.197 -9.656 6.525 1.00 7.57 S ATOM 145 H CYS A 25 -14.283 -8.116 10.670 1.00 0.00 H ATOM 146 N LYS A 26 -11.031 -9.192 8.082 1.00 8.19 N ATOM 147 CA LYS A 26 -9.830 -8.566 7.540 1.00 9.57 C ATOM 148 C LYS A 26 -10.145 -7.623 6.383 1.00 9.73 C ATOM 149 O LYS A 26 -9.398 -6.670 6.126 1.00 9.59 O ATOM 150 CB LYS A 26 -8.801 -9.619 7.105 1.00 10.11 C ATOM 151 CG LYS A 26 -7.359 -9.079 7.123 1.00 14.81 C ATOM 152 CD LYS A 26 -6.301 -10.175 7.053 1.00 21.49 C ATOM 153 CE LYS A 26 -4.900 -9.593 7.241 1.00 27.04 C ATOM 154 NZ LYS A 26 -3.854 -10.638 7.507 1.00 30.07 N ATOM 155 HZ1 LYS A 26 -4.097 -11.157 8.375 1.00 0.00 H ATOM 156 HZ2 LYS A 26 -3.814 -11.299 6.705 1.00 0.00 H ATOM 157 HZ3 LYS A 26 -2.929 -10.178 7.625 1.00 0.00 H ATOM 158 H LYS A 26 -11.124 -10.228 8.055 1.00 0.00 H ATOM 159 N ASN A 27 -11.258 -7.884 5.702 1.00 7.50 N ATOM 160 CA ASN A 27 -11.638 -7.108 4.527 1.00 6.67 C ATOM 161 C ASN A 27 -12.344 -5.805 4.899 1.00 13.02 C ATOM 162 O ASN A 27 -13.556 -5.693 4.754 1.00 19.96 O ATOM 163 CB ASN A 27 -12.564 -7.959 3.660 1.00 7.22 C ATOM 164 CG ASN A 27 -12.562 -7.541 2.213 1.00 9.12 C ATOM 165 OD1 ASN A 27 -11.548 -7.059 1.695 1.00 10.58 O ATOM 166 ND2 ASN A 27 -13.683 -7.762 1.534 1.00 7.97 N ATOM 167 HD22 ASN A 27 -14.510 -8.170 2.015 1.00 0.00 H ATOM 168 HD21 ASN A 27 -13.733 -7.527 0.522 1.00 0.00 H ATOM 169 H ASN A 27 -11.873 -8.662 6.016 1.00 0.00 H ATOM 170 N GLY A 28 -11.591 -4.827 5.395 1.00 9.41 N ATOM 171 CA GLY A 28 -12.163 -3.532 5.713 1.00 10.64 C ATOM 172 C GLY A 28 -12.294 -3.265 7.197 1.00 11.16 C ATOM 173 O GLY A 28 -12.584 -2.140 7.611 1.00 12.81 O ATOM 174 H GLY A 28 -10.577 -4.993 5.557 1.00 0.00 H ATOM 175 N GLY A 29 -12.103 -4.295 8.009 1.00 8.64 N ATOM 176 CA GLY A 29 -12.164 -4.127 9.448 1.00 8.76 C ATOM 177 C GLY A 29 -13.573 -4.050 10.000 1.00 10.36 C ATOM 178 O GLY A 29 -13.816 -3.400 11.017 1.00 13.54 O ATOM 179 H GLY A 29 -11.907 -5.235 7.609 1.00 0.00 H ATOM 180 N PHE A 30 -14.509 -4.714 9.334 1.00 7.75 N ATOM 181 CA PHE A 30 -15.891 -4.750 9.800 1.00 6.46 C ATOM 182 C PHE A 30 -16.124 -5.940 10.714 1.00 7.34 C ATOM 183 O PHE A 30 -15.698 -7.054 10.400 1.00 8.24 O ATOM 184 CB PHE A 30 -16.846 -4.895 8.618 1.00 8.22 C ATOM 185 CG PHE A 30 -16.849 -3.728 7.689 1.00 9.19 C ATOM 186 CD1 PHE A 30 -16.093 -3.751 6.531 1.00 10.64 C ATOM 187 CD2 PHE A 30 -17.631 -2.618 7.956 1.00 9.67 C ATOM 188 CE1 PHE A 30 -16.109 -2.673 5.665 1.00 12.34 C ATOM 189 CE2 PHE A 30 -17.647 -1.537 7.100 1.00 11.06 C ATOM 190 CZ PHE A 30 -16.883 -1.567 5.950 1.00 12.22 C ATOM 191 H PHE A 30 -14.252 -5.219 8.462 1.00 0.00 H ATOM 192 N PHE A 31 -16.829 -5.714 11.822 1.00 6.99 N ATOM 193 CA PHE A 31 -17.268 -6.814 12.680 1.00 7.16 C ATOM 194 C PHE A 31 -18.561 -7.384 12.130 1.00 6.26 C ATOM 195 O PHE A 31 -19.435 -6.633 11.684 1.00 8.32 O ATOM 196 CB PHE A 31 -17.521 -6.325 14.108 1.00 6.92 C ATOM 197 CG PHE A 31 -16.302 -5.793 14.799 1.00 6.94 C ATOM 198 CD1 PHE A 31 -15.339 -6.661 15.283 1.00 8.26 C ATOM 199 CD2 PHE A 31 -16.130 -4.424 14.980 1.00 8.12 C ATOM 200 CE1 PHE A 31 -14.218 -6.178 15.928 1.00 10.65 C ATOM 201 CE2 PHE A 31 -15.011 -3.931 15.624 1.00 9.81 C ATOM 202 CZ PHE A 31 -14.049 -4.809 16.096 1.00 10.71 C ATOM 203 H PHE A 31 -17.072 -4.737 12.082 1.00 0.00 H ATOM 204 N LEU A 32 -18.682 -8.711 12.140 1.00 5.89 N ATOM 205 CA LEU A 32 -19.914 -9.364 11.701 1.00 5.75 C ATOM 206 C LEU A 32 -21.059 -9.028 12.643 1.00 5.60 C ATOM 207 O LEU A 32 -20.924 -9.152 13.862 1.00 7.16 O ATOM 208 CB LEU A 32 -19.724 -10.885 11.604 1.00 6.30 C ATOM 209 CG LEU A 32 -20.880 -11.713 11.039 1.00 6.60 C ATOM 210 CD1 LEU A 32 -21.132 -11.349 9.591 1.00 9.00 C ATOM 211 CD2 LEU A 32 -20.574 -13.192 11.183 1.00 8.39 C ATOM 212 H LEU A 32 -17.885 -9.293 12.466 1.00 0.00 H ATOM 213 N ARG A 33 -22.178 -8.589 12.067 1.00 6.68 N ATOM 214 CA ARG A 33 -23.308 -8.084 12.844 1.00 6.29 C ATOM 215 C ARG A 33 -24.587 -8.845 12.508 1.00 5.99 C ATOM 216 O ARG A 33 -24.996 -8.924 11.345 1.00 7.34 O ATOM 217 CB ARG A 33 -23.481 -6.581 12.592 1.00 5.91 C ATOM 218 CG ARG A 33 -24.594 -5.954 13.427 1.00 7.78 C ATOM 219 CD ARG A 33 -24.528 -4.423 13.445 1.00 6.92 C ATOM 220 NE ARG A 33 -24.770 -3.835 12.124 1.00 7.54 N ATOM 221 CZ ARG A 33 -24.956 -2.535 11.920 1.00 8.69 C ATOM 222 NH1 ARG A 33 -24.926 -1.696 12.944 1.00 9.89 N ATOM 223 NH2 ARG A 33 -25.180 -2.075 10.696 1.00 12.48 N ATOM 224 HE ARG A 33 -24.798 -4.470 11.301 1.00 0.00 H ATOM 225 HH12 ARG A 33 -25.071 -0.678 12.787 1.00 0.00 H ATOM 226 HH11 ARG A 33 -24.757 -2.055 13.905 1.00 0.00 H ATOM 227 HH22 ARG A 33 -25.325 -1.057 10.542 1.00 0.00 H ATOM 228 HH21 ARG A 33 -25.211 -2.733 9.891 1.00 0.00 H ATOM 229 H ARG A 33 -22.249 -8.606 11.030 1.00 0.00 H ATOM 230 N ILE A 34 -25.203 -9.420 13.538 1.00 5.80 N ATOM 231 CA ILE A 34 -26.414 -10.221 13.384 1.00 6.42 C ATOM 232 C ILE A 34 -27.574 -9.541 14.105 1.00 6.35 C ATOM 233 O ILE A 34 -27.474 -9.228 15.293 1.00 6.98 O ATOM 234 CB ILE A 34 -26.205 -11.641 13.935 1.00 5.83 C ATOM 235 CG1 ILE A 34 -25.053 -12.320 13.188 1.00 8.52 C ATOM 236 CG2 ILE A 34 -27.496 -12.446 13.859 1.00 7.07 C ATOM 237 CD1 ILE A 34 -24.718 -13.718 13.670 1.00 7.79 C ATOM 238 H ILE A 34 -24.806 -9.294 14.491 1.00 0.00 H ATOM 239 N HIS A 35 -28.665 -9.329 13.374 1.00 7.66 N ATOM 240 CA HIS A 35 -29.790 -8.518 13.836 1.00 8.21 C ATOM 241 C HIS A 35 -30.989 -9.363 14.249 1.00 8.18 C ATOM 242 O HIS A 35 -31.202 -10.447 13.719 1.00 8.65 O ATOM 243 CB HIS A 35 -30.226 -7.554 12.728 1.00 9.23 C ATOM 244 CG HIS A 35 -29.164 -6.583 12.314 1.00 9.53 C ATOM 245 ND1 HIS A 35 -28.974 -5.371 12.944 1.00 10.47 N ATOM 246 CD2 HIS A 35 -28.232 -6.649 11.334 1.00 10.16 C ATOM 247 CE1 HIS A 35 -27.974 -4.729 12.362 1.00 11.71 C ATOM 248 NE2 HIS A 35 -27.510 -5.482 11.379 1.00 11.41 N ATOM 249 H HIS A 35 -28.720 -9.761 12.429 1.00 0.00 H ATOM 250 N PRO A 36 -31.797 -8.855 15.197 1.00 9.12 N ATOM 251 CA PRO A 36 -32.963 -9.607 15.677 1.00 10.46 C ATOM 252 C PRO A 36 -34.045 -9.843 14.622 1.00 10.81 C ATOM 253 O PRO A 36 -34.896 -10.706 14.842 1.00 14.61 O ATOM 254 CB PRO A 36 -33.506 -8.726 16.813 1.00 10.74 C ATOM 255 CG PRO A 36 -32.960 -7.380 16.560 1.00 10.44 C ATOM 256 CD PRO A 36 -31.604 -7.604 15.949 1.00 9.96 C ATOM 257 N ASP A 37 -34.028 -9.109 13.514 1.00 9.57 N ATOM 258 CA ASP A 37 -34.968 -9.379 12.432 1.00 11.21 C ATOM 259 C ASP A 37 -34.441 -10.407 11.432 1.00 12.93 C ATOM 260 O ASP A 37 -35.137 -10.759 10.476 1.00 15.50 O ATOM 261 CB ASP A 37 -35.386 -8.089 11.716 1.00 11.56 C ATOM 262 CG ASP A 37 -34.218 -7.347 11.083 1.00 16.04 C ATOM 263 OD1 ASP A 37 -33.074 -7.833 11.113 1.00 12.97 O ATOM 264 OD2 ASP A 37 -34.457 -6.253 10.527 1.00 23.01 O ATOM 265 H ASP A 37 -33.339 -8.336 13.418 1.00 0.00 H ATOM 266 N GLY A 38 -33.216 -10.884 11.645 1.00 9.56 N ATOM 267 CA GLY A 38 -32.643 -11.868 10.742 1.00 13.66 C ATOM 268 C GLY A 38 -31.627 -11.336 9.748 1.00 10.92 C ATOM 269 O GLY A 38 -30.980 -12.126 9.054 1.00 12.33 O ATOM 270 H GLY A 38 -32.666 -10.550 12.462 1.00 0.00 H ATOM 271 N ARG A 39 -31.494 -10.010 9.658 1.00 8.93 N ATOM 272 CA ARG A 39 -30.514 -9.402 8.756 1.00 9.47 C ATOM 273 C ARG A 39 -29.093 -9.595 9.262 1.00 8.33 C ATOM 274 O ARG A 39 -28.852 -9.661 10.468 1.00 8.11 O ATOM 275 CB ARG A 39 -30.757 -7.900 8.612 1.00 14.79 C ATOM 276 CG ARG A 39 -31.973 -7.512 7.811 1.00 22.44 C ATOM 277 CD ARG A 39 -32.172 -5.994 7.857 1.00 21.14 C ATOM 278 NE ARG A 39 -32.418 -5.521 9.217 1.00 25.57 N ATOM 279 CZ ARG A 39 -31.597 -4.731 9.901 1.00 23.50 C ATOM 280 NH1 ARG A 39 -30.469 -4.298 9.349 1.00 24.05 N ATOM 281 NH2 ARG A 39 -31.910 -4.366 11.135 1.00 18.97 N ATOM 282 HE ARG A 39 -33.297 -5.824 9.683 1.00 0.00 H ATOM 283 HH12 ARG A 39 -29.830 -3.680 9.889 1.00 0.00 H ATOM 284 HH11 ARG A 39 -30.225 -4.577 8.377 1.00 0.00 H ATOM 285 HH22 ARG A 39 -31.269 -3.748 11.673 1.00 0.00 H ATOM 286 HH21 ARG A 39 -32.796 -4.698 11.566 1.00 0.00 H ATOM 287 H ARG A 39 -32.099 -9.397 10.241 1.00 0.00 H ATOM 288 N VAL A 40 -28.152 -9.665 8.325 1.00 7.52 N ATOM 289 CA VAL A 40 -26.727 -9.783 8.626 1.00 6.88 C ATOM 290 C VAL A 40 -25.941 -8.763 7.805 1.00 7.57 C ATOM 291 O VAL A 40 -26.161 -8.619 6.598 1.00 9.02 O ATOM 292 CB VAL A 40 -26.201 -11.202 8.305 1.00 6.99 C ATOM 293 CG1 VAL A 40 -24.695 -11.301 8.532 1.00 10.22 C ATOM 294 CG2 VAL A 40 -26.936 -12.242 9.124 1.00 9.29 C ATOM 295 H VAL A 40 -28.445 -9.634 7.328 1.00 0.00 H ATOM 296 N ASP A 41 -25.041 -8.040 8.460 1.00 7.25 N ATOM 297 CA ASP A 41 -24.141 -7.124 7.765 1.00 8.36 C ATOM 298 C ASP A 41 -22.867 -6.952 8.582 1.00 6.53 C ATOM 299 O ASP A 41 -22.540 -7.817 9.407 1.00 7.50 O ATOM 300 CB ASP A 41 -24.831 -5.781 7.437 1.00 8.32 C ATOM 301 CG ASP A 41 -25.203 -4.974 8.673 1.00 9.56 C ATOM 302 OD1 ASP A 41 -25.072 -5.470 9.810 1.00 8.62 O ATOM 303 OD2 ASP A 41 -25.637 -3.811 8.491 1.00 15.02 O ATOM 304 H ASP A 41 -24.975 -8.128 9.494 1.00 0.00 H ATOM 305 N GLY A 42 -22.155 -5.850 8.367 1.00 8.48 N ATOM 306 CA GLY A 42 -20.939 -5.562 9.108 1.00 7.06 C ATOM 307 C GLY A 42 -20.908 -4.118 9.565 1.00 7.88 C ATOM 308 O GLY A 42 -21.540 -3.251 8.960 1.00 11.14 O ATOM 309 H GLY A 42 -22.478 -5.173 7.646 1.00 0.00 H ATOM 310 N VAL A 43 -20.168 -3.860 10.638 1.00 6.60 N ATOM 311 CA VAL A 43 -20.022 -2.509 11.156 1.00 7.91 C ATOM 312 C VAL A 43 -18.647 -2.370 11.804 1.00 8.56 C ATOM 313 O VAL A 43 -18.121 -3.333 12.381 1.00 8.18 O ATOM 314 CB VAL A 43 -21.156 -2.182 12.159 1.00 8.15 C ATOM 315 CG1 VAL A 43 -20.935 -2.898 13.486 1.00 9.29 C ATOM 316 CG2 VAL A 43 -21.291 -0.678 12.361 1.00 12.16 C ATOM 317 H VAL A 43 -19.681 -4.643 11.119 1.00 0.00 H ATOM 318 N ARG A 44 -18.058 -1.180 11.714 1.00 8.40 N ATOM 319 CA ARG A 44 -16.718 -0.979 12.252 1.00 7.44 C ATOM 320 C ARG A 44 -16.696 -0.636 13.744 1.00 9.44 C ATOM 321 O ARG A 44 -15.677 -0.800 14.411 1.00 11.87 O ATOM 322 CB ARG A 44 -15.970 0.094 11.460 1.00 10.29 C ATOM 323 CG ARG A 44 -15.631 -0.329 10.040 1.00 11.97 C ATOM 324 CD ARG A 44 -14.717 0.700 9.383 1.00 14.90 C ATOM 325 NE ARG A 44 -14.079 0.176 8.176 1.00 16.74 N ATOM 326 CZ ARG A 44 -14.262 0.661 6.950 1.00 19.65 C ATOM 327 NH1 ARG A 44 -15.066 1.700 6.758 1.00 20.59 N ATOM 328 NH2 ARG A 44 -13.627 0.112 5.917 1.00 15.75 N ATOM 329 HE ARG A 44 -13.436 -0.634 8.283 1.00 0.00 H ATOM 330 HH12 ARG A 44 -15.208 2.078 5.799 1.00 0.00 H ATOM 331 HH11 ARG A 44 -15.554 2.136 7.566 1.00 0.00 H ATOM 332 HH22 ARG A 44 -13.769 0.490 4.959 1.00 0.00 H ATOM 333 HH21 ARG A 44 -12.989 -0.695 6.068 1.00 0.00 H ATOM 334 H ARG A 44 -18.556 -0.389 11.258 1.00 0.00 H ATOM 335 N GLU A 45 -17.829 -0.180 14.263 1.00 9.02 N ATOM 336 CA GLU A 45 -17.938 0.258 15.658 1.00 8.24 C ATOM 337 C GLU A 45 -17.937 -0.909 16.652 1.00 8.81 C ATOM 338 O GLU A 45 -18.847 -1.739 16.654 1.00 8.21 O ATOM 339 CB GLU A 45 -19.207 1.101 15.824 1.00 9.57 C ATOM 340 CG GLU A 45 -19.511 1.486 17.265 1.00 8.74 C ATOM 341 CD GLU A 45 -18.347 2.163 17.953 1.00 11.99 C ATOM 342 OE1 GLU A 45 -18.103 1.860 19.139 1.00 10.66 O ATOM 343 OE2 GLU A 45 -17.676 3.005 17.317 1.00 15.51 O ATOM 344 H GLU A 45 -18.673 -0.131 13.657 1.00 0.00 H ATOM 345 N LYS A 46 -16.924 -0.950 17.518 1.00 8.90 N ATOM 346 CA LYS A 46 -16.717 -2.100 18.397 1.00 9.41 C ATOM 347 C LYS A 46 -17.746 -2.240 19.526 1.00 10.15 C ATOM 348 O LYS A 46 -17.882 -3.314 20.109 1.00 9.79 O ATOM 349 CB LYS A 46 -15.293 -2.091 18.973 1.00 14.46 C ATOM 350 CG LYS A 46 -15.021 -0.976 19.951 1.00 15.78 C ATOM 351 CD LYS A 46 -13.528 -0.838 20.234 1.00 23.59 C ATOM 352 CE LYS A 46 -13.289 0.076 21.426 1.00 27.91 C ATOM 353 NZ LYS A 46 -14.191 1.261 21.401 1.00 33.08 N ATOM 354 HZ1 LYS A 46 -14.022 1.805 20.531 1.00 0.00 H ATOM 355 HZ2 LYS A 46 -15.181 0.942 21.425 1.00 0.00 H ATOM 356 HZ3 LYS A 46 -13.998 1.860 22.229 1.00 0.00 H ATOM 357 H LYS A 46 -16.266 -0.146 17.569 1.00 0.00 H ATOM 358 N SER A 47 -18.470 -1.166 19.831 1.00 8.30 N ATOM 359 CA SER A 47 -19.477 -1.206 20.894 1.00 8.13 C ATOM 360 C SER A 47 -20.888 -1.504 20.376 1.00 8.16 C ATOM 361 O SER A 47 -21.848 -1.514 21.154 1.00 10.65 O ATOM 362 CB SER A 47 -19.471 0.102 21.695 1.00 8.85 C ATOM 363 OG SER A 47 -20.036 1.162 20.937 1.00 9.35 O ATOM 364 HG SER A 47 -19.508 1.292 20.109 1.00 0.00 H ATOM 365 H SER A 47 -18.318 -0.282 19.305 1.00 0.00 H ATOM 366 N ASP A 48 -21.027 -1.733 19.069 1.00 7.32 N ATOM 367 CA ASP A 48 -22.344 -2.042 18.513 1.00 6.25 C ATOM 368 C ASP A 48 -22.948 -3.241 19.252 1.00 7.77 C ATOM 369 O ASP A 48 -22.270 -4.251 19.457 1.00 8.17 O ATOM 370 CB ASP A 48 -22.238 -2.332 17.015 1.00 7.14 C ATOM 371 CG ASP A 48 -23.590 -2.565 16.373 1.00 8.99 C ATOM 372 OD1 ASP A 48 -24.175 -3.645 16.603 1.00 8.13 O ATOM 373 OD2 ASP A 48 -24.061 -1.677 15.625 1.00 9.23 O ATOM 374 H ASP A 48 -20.197 -1.692 18.444 1.00 0.00 H ATOM 375 N PRO A 49 -24.222 -3.139 19.665 1.00 7.19 N ATOM 376 CA PRO A 49 -24.766 -4.200 20.524 1.00 8.80 C ATOM 377 C PRO A 49 -25.017 -5.534 19.818 1.00 8.26 C ATOM 378 O PRO A 49 -25.241 -6.543 20.489 1.00 10.65 O ATOM 379 CB PRO A 49 -26.084 -3.606 21.051 1.00 10.73 C ATOM 380 CG PRO A 49 -26.434 -2.517 20.092 1.00 11.24 C ATOM 381 CD PRO A 49 -25.131 -1.982 19.553 1.00 8.14 C ATOM 382 N HIS A 50 -24.958 -5.561 18.492 1.00 6.59 N ATOM 383 CA HIS A 50 -25.300 -6.778 17.767 1.00 6.28 C ATOM 384 C HIS A 50 -24.118 -7.502 17.140 1.00 6.48 C ATOM 385 O HIS A 50 -24.309 -8.370 16.281 1.00 7.03 O ATOM 386 CB HIS A 50 -26.376 -6.473 16.722 1.00 7.11 C ATOM 387 CG HIS A 50 -27.670 -6.041 17.332 1.00 9.08 C ATOM 388 ND1 HIS A 50 -28.096 -4.730 17.332 1.00 11.60 N ATOM 389 CD2 HIS A 50 -28.605 -6.744 18.016 1.00 11.20 C ATOM 390 CE1 HIS A 50 -29.253 -4.649 17.971 1.00 11.29 C ATOM 391 NE2 HIS A 50 -29.579 -5.854 18.397 1.00 12.05 N ATOM 392 H HIS A 50 -24.667 -4.711 17.969 1.00 0.00 H ATOM 393 N ILE A 51 -22.910 -7.162 17.586 1.00 6.84 N ATOM 394 CA ILE A 51 -21.692 -7.839 17.125 1.00 6.22 C ATOM 395 C ILE A 51 -21.095 -8.822 18.145 1.00 6.03 C ATOM 396 O ILE A 51 -20.083 -9.469 17.870 1.00 7.63 O ATOM 397 CB ILE A 51 -20.588 -6.840 16.658 1.00 5.63 C ATOM 398 CG1 ILE A 51 -20.052 -6.031 17.834 1.00 5.51 C ATOM 399 CG2 ILE A 51 -21.108 -5.941 15.539 1.00 6.61 C ATOM 400 CD1 ILE A 51 -18.766 -5.276 17.520 1.00 7.61 C ATOM 401 H ILE A 51 -22.827 -6.394 18.282 1.00 0.00 H ATOM 402 N LYS A 52 -21.711 -8.942 19.316 1.00 6.53 N ATOM 403 CA LYS A 52 -21.276 -9.956 20.267 1.00 5.94 C ATOM 404 C LYS A 52 -21.853 -11.297 19.854 1.00 6.51 C ATOM 405 O LYS A 52 -23.075 -11.482 19.852 1.00 6.00 O ATOM 406 CB LYS A 52 -21.700 -9.621 21.700 1.00 6.16 C ATOM 407 CG LYS A 52 -21.236 -10.667 22.700 1.00 6.58 C ATOM 408 CD LYS A 52 -21.811 -10.421 24.092 1.00 9.51 C ATOM 409 CE LYS A 52 -21.348 -9.091 24.681 1.00 11.88 C ATOM 410 NZ LYS A 52 -19.864 -9.013 24.838 1.00 13.31 N ATOM 411 HZ1 LYS A 52 -19.543 -9.771 25.473 1.00 0.00 H ATOM 412 HZ2 LYS A 52 -19.412 -9.124 23.908 1.00 0.00 H ATOM 413 HZ3 LYS A 52 -19.607 -8.089 25.242 1.00 0.00 H ATOM 414 H LYS A 52 -22.504 -8.312 19.554 1.00 0.00 H ATOM 415 N LEU A 53 -20.976 -12.231 19.492 1.00 6.84 N ATOM 416 CA LEU A 53 -21.404 -13.525 18.992 1.00 7.29 C ATOM 417 C LEU A 53 -20.970 -14.656 19.909 1.00 8.18 C ATOM 418 O LEU A 53 -20.023 -14.527 20.686 1.00 9.46 O ATOM 419 CB LEU A 53 -20.833 -13.757 17.592 1.00 8.22 C ATOM 420 CG LEU A 53 -20.919 -12.585 16.618 1.00 7.57 C ATOM 421 CD1 LEU A 53 -20.275 -12.953 15.285 1.00 9.37 C ATOM 422 CD2 LEU A 53 -22.359 -12.158 16.401 1.00 7.78 C ATOM 423 H LEU A 53 -19.959 -12.029 19.569 1.00 0.00 H ATOM 424 N GLN A 54 -21.669 -15.773 19.812 1.00 8.01 N ATOM 425 CA GLN A 54 -21.285 -16.968 20.543 1.00 8.75 C ATOM 426 C GLN A 54 -20.972 -18.062 19.540 1.00 9.35 C ATOM 427 O GLN A 54 -21.832 -18.436 18.735 1.00 9.44 O ATOM 428 CB GLN A 54 -22.416 -17.415 21.464 1.00 10.61 C ATOM 429 CG GLN A 54 -22.085 -18.655 22.275 1.00 13.28 C ATOM 430 CD GLN A 54 -20.910 -18.435 23.216 1.00 20.79 C ATOM 431 OE1 GLN A 54 -20.781 -17.378 23.842 1.00 23.53 O ATOM 432 NE2 GLN A 54 -20.040 -19.428 23.310 1.00 21.80 N ATOM 433 HE22 GLN A 54 -20.187 -20.301 22.765 1.00 0.00 H ATOM 434 HE21 GLN A 54 -19.209 -19.335 23.929 1.00 0.00 H ATOM 435 H GLN A 54 -22.510 -15.797 19.201 1.00 0.00 H ATOM 436 N LEU A 55 -19.736 -18.547 19.566 1.00 8.42 N ATOM 437 CA LEU A 55 -19.356 -19.723 18.790 1.00 8.46 C ATOM 438 C LEU A 55 -19.700 -20.977 19.586 1.00 10.64 C ATOM 439 O LEU A 55 -19.382 -21.072 20.774 1.00 13.30 O ATOM 440 CB LEU A 55 -17.857 -19.707 18.479 1.00 10.23 C ATOM 441 CG LEU A 55 -17.294 -18.864 17.327 1.00 20.93 C ATOM 442 CD1 LEU A 55 -18.229 -17.757 16.860 1.00 18.11 C ATOM 443 CD2 LEU A 55 -15.921 -18.307 17.674 1.00 13.99 C ATOM 444 H LEU A 55 -19.020 -18.076 20.155 1.00 0.00 H ATOM 445 N GLN A 56 -20.364 -21.932 18.945 1.00 7.60 N ATOM 446 CA GLN A 56 -20.726 -23.170 19.614 1.00 9.93 C ATOM 447 C GLN A 56 -20.142 -24.337 18.853 1.00 9.30 C ATOM 448 O GLN A 56 -20.323 -24.450 17.649 1.00 8.71 O ATOM 449 CB GLN A 56 -22.246 -23.299 19.689 1.00 12.34 C ATOM 450 CG GLN A 56 -22.741 -24.582 20.345 1.00 18.57 C ATOM 451 CD GLN A 56 -24.196 -24.479 20.773 1.00 21.77 C ATOM 452 OE1 GLN A 56 -24.493 -24.067 21.896 1.00 26.30 O ATOM 453 NE2 GLN A 56 -25.113 -24.844 19.876 1.00 25.18 N ATOM 454 HE22 GLN A 56 -24.817 -25.186 18.940 1.00 0.00 H ATOM 455 HE21 GLN A 56 -26.124 -24.787 20.113 1.00 0.00 H ATOM 456 H GLN A 56 -20.629 -21.792 17.949 1.00 0.00 H ATOM 457 N ALA A 57 -19.423 -25.198 19.557 1.00 8.09 N ATOM 458 CA ALA A 57 -18.858 -26.385 18.934 1.00 9.97 C ATOM 459 C ALA A 57 -19.978 -27.392 18.693 1.00 9.85 C ATOM 460 O ALA A 57 -20.476 -28.000 19.637 1.00 16.11 O ATOM 461 CB ALA A 57 -17.786 -26.987 19.830 1.00 11.35 C ATOM 462 H ALA A 57 -19.260 -25.023 20.569 1.00 0.00 H ATOM 463 N GLU A 58 -20.391 -27.544 17.444 1.00 9.53 N ATOM 464 CA GLU A 58 -21.462 -28.476 17.109 1.00 10.67 C ATOM 465 C GLU A 58 -20.887 -29.869 16.916 1.00 10.21 C ATOM 466 O GLU A 58 -21.466 -30.855 17.367 1.00 11.14 O ATOM 467 CB GLU A 58 -22.212 -28.024 15.850 1.00 9.82 C ATOM 468 CG GLU A 58 -22.935 -26.680 16.008 1.00 11.74 C ATOM 469 CD GLU A 58 -24.176 -26.769 16.884 1.00 15.21 C ATOM 470 OE1 GLU A 58 -24.668 -27.892 17.134 1.00 15.18 O ATOM 471 OE2 GLU A 58 -24.664 -25.709 17.325 1.00 14.16 O ATOM 472 H GLU A 58 -19.943 -26.988 16.688 1.00 0.00 H ATOM 473 N GLU A 59 -19.750 -29.944 16.234 1.00 9.29 N ATOM 474 CA GLU A 59 -18.986 -31.177 16.113 1.00 9.56 C ATOM 475 C GLU A 59 -17.529 -30.785 16.021 1.00 10.64 C ATOM 476 O GLU A 59 -17.211 -29.601 15.966 1.00 9.97 O ATOM 477 CB GLU A 59 -19.366 -31.945 14.850 1.00 10.42 C ATOM 478 CG GLU A 59 -20.843 -32.267 14.669 1.00 10.55 C ATOM 479 CD GLU A 59 -21.404 -33.233 15.700 1.00 11.31 C ATOM 480 OE1 GLU A 59 -20.626 -33.881 16.433 1.00 12.90 O ATOM 481 OE2 GLU A 59 -22.647 -33.325 15.775 1.00 11.92 O ATOM 482 H GLU A 59 -19.391 -29.087 15.767 1.00 0.00 H ATOM 483 N ARG A 60 -16.640 -31.770 15.976 1.00 12.16 N ATOM 484 CA ARG A 60 -15.230 -31.472 15.789 1.00 13.91 C ATOM 485 C ARG A 60 -15.045 -30.714 14.474 1.00 11.03 C ATOM 486 O ARG A 60 -15.399 -31.214 13.404 1.00 14.07 O ATOM 487 CB ARG A 60 -14.404 -32.758 15.793 1.00 18.72 C ATOM 488 CG ARG A 60 -13.013 -32.583 16.376 1.00 30.32 C ATOM 489 CD ARG A 60 -11.950 -33.003 15.380 1.00 37.58 C ATOM 490 NE ARG A 60 -11.901 -34.452 15.211 1.00 43.38 N ATOM 491 CZ ARG A 60 -10.976 -35.236 15.755 1.00 45.35 C ATOM 492 NH1 ARG A 60 -10.011 -34.712 16.500 1.00 45.32 N ATOM 493 NH2 ARG A 60 -11.011 -36.544 15.546 1.00 45.39 N ATOM 494 HE ARG A 60 -12.637 -34.899 14.628 1.00 0.00 H ATOM 495 HH12 ARG A 60 -9.289 -35.328 16.924 1.00 0.00 H ATOM 496 HH11 ARG A 60 -9.977 -33.685 16.660 1.00 0.00 H ATOM 497 HH22 ARG A 60 -10.287 -37.158 15.971 1.00 0.00 H ATOM 498 HH21 ARG A 60 -11.762 -36.957 14.957 1.00 0.00 H ATOM 499 H ARG A 60 -16.953 -32.757 16.075 1.00 0.00 H ATOM 500 N GLY A 61 -14.533 -29.486 14.569 1.00 10.24 N ATOM 501 CA GLY A 61 -14.305 -28.665 13.392 1.00 10.41 C ATOM 502 C GLY A 61 -15.527 -27.970 12.807 1.00 8.88 C ATOM 503 O GLY A 61 -15.424 -27.329 11.755 1.00 7.93 O ATOM 504 H GLY A 61 -14.291 -29.107 15.507 1.00 0.00 H ATOM 505 N VAL A 62 -16.673 -28.104 13.471 1.00 7.77 N ATOM 506 CA VAL A 62 -17.929 -27.533 12.988 1.00 7.43 C ATOM 507 C VAL A 62 -18.570 -26.662 14.059 1.00 7.32 C ATOM 508 O VAL A 62 -18.702 -27.074 15.215 1.00 8.11 O ATOM 509 CB VAL A 62 -18.931 -28.640 12.580 1.00 7.13 C ATOM 510 CG1 VAL A 62 -20.196 -28.011 11.995 1.00 8.69 C ATOM 511 CG2 VAL A 62 -18.300 -29.607 11.577 1.00 9.81 C ATOM 512 H VAL A 62 -16.675 -28.634 14.366 1.00 0.00 H ATOM 513 N VAL A 63 -18.961 -25.451 13.681 1.00 6.27 N ATOM 514 CA VAL A 63 -19.581 -24.520 14.620 1.00 8.08 C ATOM 515 C VAL A 63 -20.918 -23.963 14.138 1.00 7.51 C ATOM 516 O VAL A 63 -21.252 -24.021 12.954 1.00 7.44 O ATOM 517 CB VAL A 63 -18.680 -23.303 14.924 1.00 8.79 C ATOM 518 CG1 VAL A 63 -17.328 -23.742 15.468 1.00 9.87 C ATOM 519 CG2 VAL A 63 -18.520 -22.412 13.680 1.00 8.32 C ATOM 520 H VAL A 63 -18.823 -25.158 12.693 1.00 0.00 H ATOM 521 N SER A 64 -21.677 -23.425 15.088 1.00 7.45 N ATOM 522 CA SER A 64 -22.742 -22.480 14.781 1.00 6.49 C ATOM 523 C SER A 64 -22.307 -21.138 15.355 1.00 6.64 C ATOM 524 O SER A 64 -21.464 -21.077 16.265 1.00 6.61 O ATOM 525 CB SER A 64 -24.090 -22.927 15.360 1.00 8.89 C ATOM 526 OG SER A 64 -24.038 -23.099 16.766 1.00 9.05 O ATOM 527 HG SER A 64 -23.788 -22.242 17.193 1.00 0.00 H ATOM 528 H SER A 64 -21.505 -23.687 16.080 1.00 0.00 H ATOM 529 N ILE A 65 -22.870 -20.071 14.807 1.00 6.22 N ATOM 530 CA ILE A 65 -22.492 -18.708 15.163 1.00 6.74 C ATOM 531 C ILE A 65 -23.749 -17.954 15.555 1.00 6.78 C ATOM 532 O ILE A 65 -24.600 -17.672 14.713 1.00 7.02 O ATOM 533 CB ILE A 65 -21.804 -18.006 13.982 1.00 6.42 C ATOM 534 CG1 ILE A 65 -20.558 -18.795 13.542 1.00 8.25 C ATOM 535 CG2 ILE A 65 -21.457 -16.573 14.350 1.00 8.45 C ATOM 536 CD1 ILE A 65 -19.933 -18.306 12.247 1.00 12.48 C ATOM 537 H ILE A 65 -23.613 -20.211 14.093 1.00 0.00 H ATOM 538 N LYS A 66 -23.883 -17.650 16.840 1.00 7.52 N ATOM 539 CA LYS A 66 -25.103 -17.019 17.335 1.00 5.97 C ATOM 540 C LYS A 66 -24.895 -15.542 17.639 1.00 7.25 C ATOM 541 O LYS A 66 -23.954 -15.173 18.339 1.00 8.68 O ATOM 542 CB LYS A 66 -25.571 -17.728 18.605 1.00 8.49 C ATOM 543 CG LYS A 66 -26.947 -17.304 19.091 1.00 9.05 C ATOM 544 CD LYS A 66 -27.244 -17.945 20.427 1.00 11.95 C ATOM 545 CE LYS A 66 -28.701 -17.821 20.789 1.00 17.82 C ATOM 546 NZ LYS A 66 -28.872 -18.012 22.262 1.00 22.11 N ATOM 547 HZ1 LYS A 66 -28.529 -18.956 22.530 1.00 0.00 H ATOM 548 HZ2 LYS A 66 -28.327 -17.286 22.770 1.00 0.00 H ATOM 549 HZ3 LYS A 66 -29.879 -17.926 22.507 1.00 0.00 H ATOM 550 H LYS A 66 -23.110 -17.864 17.502 1.00 0.00 H ATOM 551 N GLY A 67 -25.778 -14.697 17.125 1.00 6.30 N ATOM 552 CA GLY A 67 -25.824 -13.312 17.568 1.00 6.21 C ATOM 553 C GLY A 67 -26.502 -13.265 18.924 1.00 7.12 C ATOM 554 O GLY A 67 -27.675 -13.605 19.030 1.00 8.26 O ATOM 555 H GLY A 67 -26.444 -15.027 16.398 1.00 0.00 H ATOM 556 N VAL A 68 -25.771 -12.876 19.963 1.00 6.50 N ATOM 557 CA VAL A 68 -26.294 -12.988 21.325 1.00 6.93 C ATOM 558 C VAL A 68 -27.515 -12.101 21.549 1.00 8.46 C ATOM 559 O VAL A 68 -28.550 -12.564 22.029 1.00 8.12 O ATOM 560 CB VAL A 68 -25.216 -12.698 22.385 1.00 5.77 C ATOM 561 CG1 VAL A 68 -25.824 -12.709 23.782 1.00 7.69 C ATOM 562 CG2 VAL A 68 -24.081 -13.720 22.283 1.00 8.80 C ATOM 563 H VAL A 68 -24.819 -12.488 19.807 1.00 0.00 H ATOM 564 N SER A 69 -27.405 -10.828 21.186 1.00 7.92 N ATOM 565 CA SER A 69 -28.528 -9.912 21.346 1.00 8.95 C ATOM 566 C SER A 69 -29.696 -10.298 20.440 1.00 8.87 C ATOM 567 O SER A 69 -30.858 -10.261 20.851 1.00 9.89 O ATOM 568 CB SER A 69 -28.088 -8.479 21.063 1.00 10.25 C ATOM 569 OG SER A 69 -29.174 -7.597 21.251 1.00 12.35 O ATOM 570 HG SER A 69 -29.493 -7.663 22.186 1.00 0.00 H ATOM 571 H SER A 69 -26.510 -10.482 20.784 1.00 0.00 H ATOM 572 N ALA A 70 -29.385 -10.672 19.203 1.00 7.11 N ATOM 573 CA ALA A 70 -30.409 -11.022 18.234 1.00 7.64 C ATOM 574 C ALA A 70 -31.147 -12.303 18.596 1.00 7.63 C ATOM 575 O ALA A 70 -32.297 -12.493 18.188 1.00 8.64 O ATOM 576 CB ALA A 70 -29.789 -11.170 16.851 1.00 7.54 C ATOM 577 H ALA A 70 -28.385 -10.715 18.922 1.00 0.00 H ATOM 578 N ASN A 71 -30.462 -13.191 19.314 1.00 7.92 N ATOM 579 CA ASN A 71 -30.986 -14.515 19.642 1.00 8.02 C ATOM 580 C ASN A 71 -31.272 -15.304 18.372 1.00 8.48 C ATOM 581 O ASN A 71 -32.291 -15.997 18.269 1.00 10.04 O ATOM 582 CB ASN A 71 -32.252 -14.404 20.508 1.00 8.86 C ATOM 583 CG ASN A 71 -32.311 -15.452 21.594 1.00 11.11 C ATOM 584 OD1 ASN A 71 -31.393 -16.264 21.756 1.00 11.54 O ATOM 585 ND2 ASN A 71 -33.395 -15.442 22.350 1.00 15.34 N ATOM 586 HD22 ASN A 71 -34.143 -14.740 22.178 1.00 0.00 H ATOM 587 HD21 ASN A 71 -33.500 -16.136 23.117 1.00 0.00 H ATOM 588 H ASN A 71 -29.515 -12.931 19.656 1.00 0.00 H ATOM 589 N ARG A 72 -30.361 -15.193 17.407 1.00 7.43 N ATOM 590 CA ARG A 72 -30.491 -15.876 16.121 1.00 7.10 C ATOM 591 C ARG A 72 -29.138 -16.398 15.667 1.00 7.37 C ATOM 592 O ARG A 72 -28.100 -15.830 16.026 1.00 9.48 O ATOM 593 CB ARG A 72 -31.049 -14.930 15.057 1.00 7.60 C ATOM 594 CG ARG A 72 -32.518 -14.582 15.228 1.00 9.16 C ATOM 595 CD ARG A 72 -32.955 -13.617 14.133 1.00 12.30 C ATOM 596 NE ARG A 72 -34.394 -13.389 14.158 1.00 15.96 N ATOM 597 CZ ARG A 72 -35.273 -14.095 13.456 1.00 17.10 C ATOM 598 NH1 ARG A 72 -34.862 -15.070 12.656 1.00 17.93 N ATOM 599 NH2 ARG A 72 -36.569 -13.828 13.548 1.00 19.06 N ATOM 600 HE ARG A 72 -34.756 -12.625 14.764 1.00 0.00 H ATOM 601 HH12 ARG A 72 -35.554 -15.620 12.108 1.00 0.00 H ATOM 602 HH11 ARG A 72 -33.847 -15.284 12.576 1.00 0.00 H ATOM 603 HH22 ARG A 72 -37.255 -14.383 12.997 1.00 0.00 H ATOM 604 HH21 ARG A 72 -36.900 -13.064 14.171 1.00 0.00 H ATOM 605 H ARG A 72 -29.525 -14.598 17.575 1.00 0.00 H ATOM 606 N TYR A 73 -29.160 -17.461 14.864 1.00 6.77 N ATOM 607 CA TYR A 73 -27.951 -18.126 14.394 1.00 7.23 C ATOM 608 C TYR A 73 -27.707 -17.840 12.930 1.00 6.65 C ATOM 609 O TYR A 73 -28.633 -17.896 12.117 1.00 8.28 O ATOM 610 CB TYR A 73 -28.091 -19.636 14.571 1.00 7.93 C ATOM 611 CG TYR A 73 -28.333 -20.077 15.995 1.00 7.19 C ATOM 612 CD1 TYR A 73 -29.617 -20.168 16.500 1.00 9.07 C ATOM 613 CD2 TYR A 73 -27.271 -20.410 16.827 1.00 7.68 C ATOM 614 CE1 TYR A 73 -29.837 -20.578 17.804 1.00 11.38 C ATOM 615 CE2 TYR A 73 -27.475 -20.816 18.131 1.00 7.01 C ATOM 616 CZ TYR A 73 -28.763 -20.903 18.609 1.00 9.66 C ATOM 617 OH TYR A 73 -28.988 -21.313 19.899 1.00 13.31 O ATOM 618 HH TYR A 73 -28.623 -22.225 20.023 1.00 0.00 H ATOM 619 H TYR A 73 -30.082 -17.833 14.559 1.00 0.00 H ATOM 620 N LEU A 74 -26.449 -17.577 12.593 1.00 5.66 N ATOM 621 CA LEU A 74 -26.064 -17.295 11.218 1.00 7.39 C ATOM 622 C LEU A 74 -26.419 -18.455 10.298 1.00 6.20 C ATOM 623 O LEU A 74 -26.115 -19.609 10.598 1.00 6.15 O ATOM 624 CB LEU A 74 -24.562 -17.045 11.148 1.00 6.99 C ATOM 625 CG LEU A 74 -24.061 -16.538 9.805 1.00 7.92 C ATOM 626 CD1 LEU A 74 -24.555 -15.126 9.567 1.00 9.95 C ATOM 627 CD2 LEU A 74 -22.562 -16.589 9.780 1.00 8.94 C ATOM 628 H LEU A 74 -25.718 -17.573 13.333 1.00 0.00 H ATOM 629 N ALA A 75 -27.053 -18.141 9.173 1.00 6.79 N ATOM 630 CA ALA A 75 -27.406 -19.157 8.187 1.00 7.09 C ATOM 631 C ALA A 75 -26.983 -18.717 6.797 1.00 7.34 C ATOM 632 O ALA A 75 -27.117 -17.543 6.442 1.00 7.42 O ATOM 633 CB ALA A 75 -28.914 -19.426 8.221 1.00 10.98 C ATOM 634 H ALA A 75 -27.303 -17.148 8.991 1.00 0.00 H ATOM 635 N MET A 76 -26.476 -19.648 6.000 1.00 6.97 N ATOM 636 CA MET A 76 -26.312 -19.367 4.580 1.00 6.79 C ATOM 637 C MET A 76 -27.409 -20.072 3.810 1.00 9.50 C ATOM 638 O MET A 76 -27.654 -21.266 4.001 1.00 8.95 O ATOM 639 CB MET A 76 -24.933 -19.765 4.059 1.00 12.27 C ATOM 640 CG MET A 76 -24.669 -19.252 2.636 1.00 14.25 C ATOM 641 SD MET A 76 -23.100 -19.814 1.995 1.00 18.30 S ATOM 642 CE MET A 76 -22.021 -18.758 2.957 1.00 10.98 C ATOM 643 H MET A 76 -26.197 -20.573 6.386 1.00 0.00 H ATOM 644 N LYS A 77 -28.071 -19.313 2.948 1.00 9.44 N ATOM 645 CA LYS A 77 -29.187 -19.810 2.152 1.00 11.13 C ATOM 646 C LYS A 77 -28.724 -20.367 0.812 1.00 12.14 C ATOM 647 O LYS A 77 -27.580 -20.164 0.406 1.00 10.22 O ATOM 648 CB LYS A 77 -30.184 -18.679 1.908 1.00 12.62 C ATOM 649 CG LYS A 77 -30.647 -17.997 3.176 1.00 17.05 C ATOM 650 CD LYS A 77 -31.313 -18.992 4.118 1.00 20.85 C ATOM 651 CE LYS A 77 -32.629 -19.504 3.549 1.00 20.93 C ATOM 652 NZ LYS A 77 -33.330 -20.418 4.503 1.00 25.73 N ATOM 653 HZ1 LYS A 77 -32.722 -21.237 4.707 1.00 0.00 H ATOM 654 HZ2 LYS A 77 -33.533 -19.907 5.386 1.00 0.00 H ATOM 655 HZ3 LYS A 77 -34.221 -20.744 4.077 1.00 0.00 H ATOM 656 H LYS A 77 -27.782 -18.320 2.835 1.00 0.00 H ATOM 657 N GLU A 78 -29.622 -21.064 0.115 1.00 14.94 N ATOM 658 CA GLU A 78 -29.231 -21.792 -1.090 1.00 15.45 C ATOM 659 C GLU A 78 -28.858 -20.884 -2.255 1.00 14.89 C ATOM 660 O GLU A 78 -28.264 -21.343 -3.233 1.00 18.90 O ATOM 661 CB GLU A 78 -30.315 -22.789 -1.519 1.00 20.88 C ATOM 662 CG GLU A 78 -31.587 -22.157 -2.041 1.00 24.20 C ATOM 663 CD GLU A 78 -32.589 -23.193 -2.518 1.00 38.75 C ATOM 664 OE1 GLU A 78 -32.279 -24.403 -2.447 1.00 41.24 O ATOM 665 OE2 GLU A 78 -33.685 -22.795 -2.963 1.00 43.49 O ATOM 666 H GLU A 78 -30.612 -21.090 0.433 1.00 0.00 H ATOM 667 N ASP A 79 -29.196 -19.602 -2.148 1.00 13.11 N ATOM 668 CA ASP A 79 -28.805 -18.642 -3.173 1.00 15.91 C ATOM 669 C ASP A 79 -27.591 -17.817 -2.751 1.00 18.01 C ATOM 670 O ASP A 79 -27.196 -16.881 -3.444 1.00 19.25 O ATOM 671 CB ASP A 79 -29.980 -17.744 -3.569 1.00 19.71 C ATOM 672 CG ASP A 79 -30.448 -16.842 -2.444 1.00 21.52 C ATOM 673 OD1 ASP A 79 -29.974 -16.972 -1.292 1.00 18.22 O ATOM 674 OD2 ASP A 79 -31.319 -15.990 -2.712 1.00 26.93 O ATOM 675 H ASP A 79 -29.745 -19.281 -1.325 1.00 0.00 H ATOM 676 N GLY A 80 -27.007 -18.165 -1.610 1.00 12.39 N ATOM 677 CA GLY A 80 -25.781 -17.529 -1.162 1.00 11.10 C ATOM 678 C GLY A 80 -25.972 -16.372 -0.198 1.00 11.42 C ATOM 679 O GLY A 80 -25.001 -15.797 0.278 1.00 10.90 O ATOM 680 H GLY A 80 -27.437 -18.909 -1.025 1.00 0.00 H ATOM 681 N ARG A 81 -27.218 -16.025 0.100 1.00 10.92 N ATOM 682 CA ARG A 81 -27.471 -14.931 1.030 1.00 10.15 C ATOM 683 C ARG A 81 -27.178 -15.360 2.461 1.00 9.64 C ATOM 684 O ARG A 81 -27.284 -16.541 2.805 1.00 8.47 O ATOM 685 CB ARG A 81 -28.920 -14.457 0.931 1.00 15.21 C ATOM 686 CG ARG A 81 -29.279 -13.791 -0.398 1.00 20.65 C ATOM 687 CD ARG A 81 -30.621 -13.088 -0.281 1.00 26.76 C ATOM 688 NE ARG A 81 -31.481 -13.779 0.674 1.00 34.42 N ATOM 689 CZ ARG A 81 -32.296 -14.779 0.356 1.00 32.95 C ATOM 690 NH1 ARG A 81 -32.372 -15.195 -0.897 1.00 38.34 N ATOM 691 NH2 ARG A 81 -33.043 -15.358 1.285 1.00 31.33 N ATOM 692 HE ARG A 81 -31.454 -13.469 1.666 1.00 0.00 H ATOM 693 HH12 ARG A 81 -33.010 -15.978 -1.147 1.00 0.00 H ATOM 694 HH11 ARG A 81 -31.794 -14.740 -1.632 1.00 0.00 H ATOM 695 HH22 ARG A 81 -33.679 -16.140 1.028 1.00 0.00 H ATOM 696 HH21 ARG A 81 -32.994 -15.030 2.271 1.00 0.00 H ATOM 697 H ARG A 81 -28.016 -16.535 -0.331 1.00 0.00 H ATOM 698 N LEU A 82 -26.813 -14.388 3.290 1.00 9.50 N ATOM 699 CA LEU A 82 -26.648 -14.614 4.721 1.00 7.83 C ATOM 700 C LEU A 82 -27.871 -14.073 5.444 1.00 11.32 C ATOM 701 O LEU A 82 -28.310 -12.955 5.199 1.00 13.49 O ATOM 702 CB LEU A 82 -25.395 -13.905 5.233 1.00 11.97 C ATOM 703 CG LEU A 82 -24.150 -14.666 5.694 1.00 21.65 C ATOM 704 CD1 LEU A 82 -23.899 -15.932 4.870 1.00 12.28 C ATOM 705 CD2 LEU A 82 -22.930 -13.750 5.701 1.00 12.05 C ATOM 706 H LEU A 82 -26.640 -13.437 2.907 1.00 0.00 H ATOM 707 N LEU A 83 -28.441 -14.872 6.330 1.00 9.43 N ATOM 708 CA LEU A 83 -29.468 -14.363 7.223 1.00 10.88 C ATOM 709 C LEU A 83 -29.249 -15.002 8.577 1.00 10.46 C ATOM 710 O LEU A 83 -28.217 -15.627 8.806 1.00 11.21 O ATOM 711 CB LEU A 83 -30.883 -14.610 6.685 1.00 15.77 C ATOM 712 CG LEU A 83 -31.324 -15.952 6.107 1.00 20.78 C ATOM 713 CD1 LEU A 83 -31.570 -16.988 7.199 1.00 23.73 C ATOM 714 CD2 LEU A 83 -32.576 -15.754 5.242 1.00 25.40 C ATOM 715 H LEU A 83 -28.153 -15.870 6.388 1.00 0.00 H ATOM 716 N ALA A 84 -30.186 -14.827 9.491 1.00 9.76 N ATOM 717 CA ALA A 84 -30.029 -15.475 10.781 1.00 10.47 C ATOM 718 C ALA A 84 -31.357 -16.065 11.230 1.00 9.86 C ATOM 719 O ALA A 84 -32.393 -15.411 11.141 1.00 11.36 O ATOM 720 CB ALA A 84 -29.486 -14.507 11.796 1.00 10.36 C ATOM 721 H ALA A 84 -31.019 -14.237 9.291 1.00 0.00 H ATOM 722 N SER A 85 -31.309 -17.313 11.694 1.00 8.49 N ATOM 723 CA SER A 85 -32.511 -18.074 12.045 1.00 9.01 C ATOM 724 C SER A 85 -32.701 -18.263 13.544 1.00 10.02 C ATOM 725 O SER A 85 -31.746 -18.224 14.311 1.00 9.54 O ATOM 726 CB SER A 85 -32.462 -19.446 11.379 1.00 15.55 C ATOM 727 OG SER A 85 -31.240 -20.080 11.650 1.00 23.45 O ATOM 728 HG SER A 85 -31.138 -20.193 12.628 1.00 0.00 H ATOM 729 H SER A 85 -30.380 -17.766 11.812 1.00 0.00 H ATOM 730 N LYS A 86 -33.939 -18.493 13.968 1.00 12.15 N ATOM 731 CA LYS A 86 -34.198 -18.726 15.384 1.00 12.86 C ATOM 732 C LYS A 86 -33.637 -20.054 15.883 1.00 10.43 C ATOM 733 O LYS A 86 -33.325 -20.194 17.063 1.00 13.52 O ATOM 734 CB LYS A 86 -35.693 -18.652 15.676 1.00 15.74 C ATOM 735 CG LYS A 86 -36.262 -17.262 15.520 1.00 18.01 C ATOM 736 CD LYS A 86 -37.737 -17.235 15.872 1.00 23.26 C ATOM 737 CE LYS A 86 -38.275 -15.811 15.878 1.00 29.38 C ATOM 738 NZ LYS A 86 -39.741 -15.771 16.153 1.00 37.17 N ATOM 739 HZ1 LYS A 86 -40.245 -16.307 15.418 1.00 0.00 H ATOM 740 HZ2 LYS A 86 -39.930 -16.195 17.084 1.00 0.00 H ATOM 741 HZ3 LYS A 86 -40.067 -14.783 16.148 1.00 0.00 H ATOM 742 H LYS A 86 -34.726 -18.507 13.288 1.00 0.00 H ATOM 743 N SER A 87 -33.507 -21.024 14.981 1.00 12.13 N ATOM 744 CA SER A 87 -33.029 -22.353 15.351 1.00 12.19 C ATOM 745 C SER A 87 -31.762 -22.709 14.584 1.00 10.03 C ATOM 746 O SER A 87 -31.476 -22.111 13.543 1.00 9.59 O ATOM 747 CB SER A 87 -34.113 -23.396 15.075 1.00 16.85 C ATOM 748 OG SER A 87 -35.234 -23.186 15.915 1.00 27.72 O ATOM 749 HG SER A 87 -35.923 -23.870 15.721 1.00 0.00 H ATOM 750 H SER A 87 -33.752 -20.831 13.989 1.00 0.00 H ATOM 751 N VAL A 88 -31.018 -23.694 15.086 1.00 10.23 N ATOM 752 CA VAL A 88 -29.799 -24.142 14.418 1.00 7.59 C ATOM 753 C VAL A 88 -30.148 -25.157 13.329 1.00 7.66 C ATOM 754 O VAL A 88 -30.034 -26.376 13.509 1.00 8.57 O ATOM 755 CB VAL A 88 -28.767 -24.728 15.410 1.00 8.75 C ATOM 756 CG1 VAL A 88 -27.443 -25.029 14.709 1.00 10.68 C ATOM 757 CG2 VAL A 88 -28.565 -23.764 16.574 1.00 12.01 C ATOM 758 H VAL A 88 -31.311 -24.153 15.972 1.00 0.00 H ATOM 759 N THR A 89 -30.593 -24.640 12.191 1.00 7.09 N ATOM 760 CA THR A 89 -30.954 -25.500 11.067 1.00 6.27 C ATOM 761 C THR A 89 -29.706 -26.010 10.366 1.00 7.86 C ATOM 762 O THR A 89 -28.593 -25.581 10.681 1.00 7.26 O ATOM 763 CB THR A 89 -31.791 -24.745 10.033 1.00 6.86 C ATOM 764 OG1 THR A 89 -30.955 -23.791 9.361 1.00 9.00 O ATOM 765 CG2 THR A 89 -32.965 -24.044 10.703 1.00 7.74 C ATOM 766 HG1 THR A 89 -31.491 -23.299 8.690 1.00 0.00 H ATOM 767 H THR A 89 -30.686 -23.608 12.098 1.00 0.00 H ATOM 768 N ASP A 90 -29.887 -26.905 9.394 1.00 8.69 N ATOM 769 CA ASP A 90 -28.737 -27.421 8.657 1.00 8.50 C ATOM 770 C ASP A 90 -27.983 -26.327 7.887 1.00 8.29 C ATOM 771 O ASP A 90 -26.830 -26.517 7.515 1.00 11.05 O ATOM 772 CB ASP A 90 -29.101 -28.629 7.772 1.00 12.01 C ATOM 773 CG ASP A 90 -30.132 -28.312 6.712 1.00 11.59 C ATOM 774 OD1 ASP A 90 -30.674 -27.194 6.686 1.00 13.12 O ATOM 775 OD2 ASP A 90 -30.415 -29.216 5.888 1.00 16.00 O ATOM 776 H ASP A 90 -30.845 -27.235 9.161 1.00 0.00 H ATOM 777 N GLU A 91 -28.615 -25.170 7.699 1.00 6.43 N ATOM 778 CA GLU A 91 -27.949 -24.032 7.062 1.00 7.55 C ATOM 779 C GLU A 91 -27.074 -23.233 8.019 1.00 5.70 C ATOM 780 O GLU A 91 -26.408 -22.288 7.592 1.00 6.58 O ATOM 781 CB GLU A 91 -28.982 -23.109 6.412 1.00 7.85 C ATOM 782 CG GLU A 91 -29.689 -23.834 5.275 1.00 9.56 C ATOM 783 CD GLU A 91 -30.648 -22.966 4.502 1.00 16.37 C ATOM 784 OE1 GLU A 91 -31.385 -22.192 5.137 1.00 17.33 O ATOM 785 OE2 GLU A 91 -30.665 -23.075 3.256 1.00 18.17 O ATOM 786 H GLU A 91 -29.602 -25.073 8.011 1.00 0.00 H ATOM 787 N CYS A 92 -27.052 -23.621 9.292 1.00 6.08 N ATOM 788 CA CYS A 92 -26.358 -22.857 10.327 1.00 5.38 C ATOM 789 C CYS A 92 -25.087 -23.537 10.816 1.00 6.12 C ATOM 790 O CYS A 92 -24.510 -23.124 11.824 1.00 7.06 O ATOM 791 CB CYS A 92 -27.294 -22.602 11.513 1.00 7.39 C ATOM 792 SG CYS A 92 -28.785 -21.672 11.107 1.00 8.83 S ATOM 793 H CYS A 92 -27.545 -24.497 9.559 1.00 0.00 H ATOM 794 N PHE A 93 -24.657 -24.580 10.110 1.00 6.29 N ATOM 795 CA PHE A 93 -23.432 -25.299 10.453 1.00 6.17 C ATOM 796 C PHE A 93 -22.302 -24.891 9.520 1.00 5.85 C ATOM 797 O PHE A 93 -22.477 -24.892 8.289 1.00 6.82 O ATOM 798 CB PHE A 93 -23.642 -26.817 10.356 1.00 6.99 C ATOM 799 CG PHE A 93 -24.560 -27.385 11.411 1.00 7.66 C ATOM 800 CD1 PHE A 93 -25.938 -27.224 11.326 1.00 9.74 C ATOM 801 CD2 PHE A 93 -24.042 -28.127 12.454 1.00 11.23 C ATOM 802 CE1 PHE A 93 -26.777 -27.765 12.291 1.00 9.39 C ATOM 803 CE2 PHE A 93 -24.874 -28.677 13.415 1.00 13.14 C ATOM 804 CZ PHE A 93 -26.236 -28.486 13.340 1.00 9.28 C ATOM 805 H PHE A 93 -25.211 -24.894 9.287 1.00 0.00 H ATOM 806 N PHE A 94 -21.151 -24.557 10.102 1.00 5.43 N ATOM 807 CA PHE A 94 -19.985 -24.125 9.325 1.00 6.52 C ATOM 808 C PHE A 94 -18.699 -24.829 9.745 1.00 6.14 C ATOM 809 O PHE A 94 -18.422 -24.977 10.929 1.00 7.40 O ATOM 810 CB PHE A 94 -19.780 -22.607 9.467 1.00 7.22 C ATOM 811 CG PHE A 94 -20.954 -21.799 8.997 1.00 6.34 C ATOM 812 CD1 PHE A 94 -21.970 -21.445 9.876 1.00 7.09 C ATOM 813 CD2 PHE A 94 -21.065 -21.427 7.665 1.00 6.70 C ATOM 814 CE1 PHE A 94 -23.075 -20.718 9.427 1.00 6.60 C ATOM 815 CE2 PHE A 94 -22.159 -20.702 7.221 1.00 6.22 C ATOM 816 CZ PHE A 94 -23.159 -20.351 8.109 1.00 6.85 C ATOM 817 H PHE A 94 -21.077 -24.604 11.138 1.00 0.00 H ATOM 818 N PHE A 95 -17.894 -25.230 8.769 1.00 7.08 N ATOM 819 CA PHE A 95 -16.544 -25.690 9.061 1.00 6.60 C ATOM 820 C PHE A 95 -15.689 -24.502 9.454 1.00 6.82 C ATOM 821 O PHE A 95 -15.586 -23.531 8.692 1.00 7.26 O ATOM 822 CB PHE A 95 -15.932 -26.352 7.828 1.00 8.07 C ATOM 823 CG PHE A 95 -16.680 -27.560 7.353 1.00 8.83 C ATOM 824 CD1 PHE A 95 -16.728 -28.706 8.130 1.00 11.52 C ATOM 825 CD2 PHE A 95 -17.312 -27.561 6.121 1.00 8.33 C ATOM 826 CE1 PHE A 95 -17.419 -29.827 7.697 1.00 9.89 C ATOM 827 CE2 PHE A 95 -17.989 -28.680 5.682 1.00 10.97 C ATOM 828 CZ PHE A 95 -18.045 -29.807 6.468 1.00 10.50 C ATOM 829 H PHE A 95 -18.231 -25.215 7.785 1.00 0.00 H ATOM 830 N GLU A 96 -15.100 -24.560 10.646 1.00 5.39 N ATOM 831 CA GLU A 96 -14.237 -23.492 11.134 1.00 6.74 C ATOM 832 C GLU A 96 -12.789 -23.913 10.935 1.00 7.27 C ATOM 833 O GLU A 96 -12.375 -24.981 11.395 1.00 9.21 O ATOM 834 CB GLU A 96 -14.516 -23.188 12.614 1.00 8.29 C ATOM 835 CG GLU A 96 -13.616 -22.090 13.200 1.00 9.91 C ATOM 836 CD GLU A 96 -13.927 -21.771 14.656 1.00 9.27 C ATOM 837 OE1 GLU A 96 -13.988 -20.577 15.002 1.00 11.14 O ATOM 838 OE2 GLU A 96 -14.083 -22.707 15.463 1.00 11.32 O ATOM 839 H GLU A 96 -15.261 -25.393 11.248 1.00 0.00 H ATOM 840 N ARG A 97 -12.020 -23.082 10.243 1.00 7.13 N ATOM 841 CA ARG A 97 -10.633 -23.416 9.934 1.00 8.06 C ATOM 842 C ARG A 97 -9.707 -22.245 10.209 1.00 9.35 C ATOM 843 O ARG A 97 -10.077 -21.084 10.012 1.00 10.12 O ATOM 844 CB ARG A 97 -10.514 -23.833 8.471 1.00 11.39 C ATOM 845 CG ARG A 97 -9.171 -24.417 8.085 1.00 20.40 C ATOM 846 CD ARG A 97 -9.221 -24.954 6.654 1.00 20.43 C ATOM 847 NE ARG A 97 -7.894 -25.061 6.054 1.00 27.46 N ATOM 848 CZ ARG A 97 -7.220 -24.025 5.569 1.00 29.20 C ATOM 849 NH1 ARG A 97 -7.745 -22.809 5.633 1.00 28.82 N ATOM 850 NH2 ARG A 97 -6.017 -24.196 5.037 1.00 34.72 N ATOM 851 HE ARG A 97 -7.452 -26.001 6.004 1.00 0.00 H ATOM 852 HH12 ARG A 97 -7.220 -21.995 5.254 1.00 0.00 H ATOM 853 HH11 ARG A 97 -8.682 -22.669 6.062 1.00 0.00 H ATOM 854 HH22 ARG A 97 -5.495 -23.380 4.659 1.00 0.00 H ATOM 855 HH21 ARG A 97 -5.596 -25.146 4.998 1.00 0.00 H ATOM 856 H ARG A 97 -12.413 -22.177 9.915 1.00 0.00 H ATOM 857 N LEU A 98 -8.500 -22.552 10.666 1.00 9.89 N ATOM 858 CA LEU A 98 -7.487 -21.537 10.912 1.00 9.18 C ATOM 859 C LEU A 98 -6.709 -21.292 9.624 1.00 10.47 C ATOM 860 O LEU A 98 -6.216 -22.239 9.010 1.00 13.29 O ATOM 861 CB LEU A 98 -6.544 -22.031 12.011 1.00 7.62 C ATOM 862 CG LEU A 98 -5.496 -21.049 12.546 1.00 9.53 C ATOM 863 CD1 LEU A 98 -6.135 -19.955 13.371 1.00 12.27 C ATOM 864 CD2 LEU A 98 -4.470 -21.813 13.376 1.00 12.89 C ATOM 865 H LEU A 98 -8.271 -23.549 10.854 1.00 0.00 H ATOM 866 N GLU A 99 -6.616 -20.035 9.194 1.00 8.91 N ATOM 867 CA GLU A 99 -5.808 -19.708 8.019 1.00 10.43 C ATOM 868 C GLU A 99 -4.425 -19.150 8.372 1.00 14.32 C ATOM 869 O GLU A 99 -4.052 -19.098 9.544 1.00 10.96 O ATOM 870 CB GLU A 99 -6.554 -18.755 7.075 1.00 15.61 C ATOM 871 CG GLU A 99 -7.097 -19.419 5.799 1.00 16.55 C ATOM 872 CD GLU A 99 -6.018 -19.750 4.768 1.00 21.46 C ATOM 873 OE1 GLU A 99 -4.819 -19.492 5.018 1.00 20.17 O ATOM 874 OE2 GLU A 99 -6.379 -20.274 3.692 1.00 17.97 O ATOM 875 H GLU A 99 -7.122 -19.279 9.698 1.00 0.00 H ATOM 876 N SER A 100 -3.692 -18.734 7.338 1.00 15.12 N ATOM 877 CA SER A 100 -2.270 -18.374 7.409 1.00 20.41 C ATOM 878 C SER A 100 -1.835 -17.295 8.404 1.00 17.74 C ATOM 879 O SER A 100 -0.727 -17.381 8.940 1.00 19.52 O ATOM 880 CB SER A 100 -1.754 -17.999 6.011 1.00 23.34 C ATOM 881 OG SER A 100 -1.602 -19.147 5.203 1.00 30.70 O ATOM 882 HG SER A 100 -2.477 -19.600 5.108 1.00 0.00 H ATOM 883 H SER A 100 -4.162 -18.659 6.413 1.00 0.00 H ATOM 884 N ASN A 101 -2.658 -16.270 8.622 1.00 14.52 N ATOM 885 CA ASN A 101 -2.333 -15.257 9.632 1.00 14.93 C ATOM 886 C ASN A 101 -3.235 -15.299 10.848 1.00 11.23 C ATOM 887 O ASN A 101 -3.544 -14.276 11.455 1.00 13.04 O ATOM 888 CB ASN A 101 -2.326 -13.847 9.047 1.00 21.97 C ATOM 889 CG ASN A 101 -1.119 -13.588 8.206 1.00 19.49 C ATOM 890 OD1 ASN A 101 -1.228 -13.339 7.005 1.00 31.15 O ATOM 891 ND2 ASN A 101 0.055 -13.654 8.826 1.00 18.64 N ATOM 892 HD22 ASN A 101 0.095 -13.868 9.843 1.00 0.00 H ATOM 893 HD21 ASN A 101 0.934 -13.492 8.294 1.00 0.00 H ATOM 894 H ASN A 101 -3.537 -16.188 8.072 1.00 0.00 H ATOM 895 N ASN A 102 -3.662 -16.509 11.190 1.00 9.69 N ATOM 896 CA ASN A 102 -4.419 -16.757 12.405 1.00 9.32 C ATOM 897 C ASN A 102 -5.814 -16.154 12.410 1.00 7.70 C ATOM 898 O ASN A 102 -6.446 -16.074 13.458 1.00 9.14 O ATOM 899 CB ASN A 102 -3.638 -16.344 13.661 1.00 10.68 C ATOM 900 CG ASN A 102 -2.690 -17.423 14.136 1.00 11.28 C ATOM 901 OD1 ASN A 102 -2.059 -18.117 13.330 1.00 14.27 O ATOM 902 ND2 ASN A 102 -2.590 -17.580 15.450 1.00 8.54 N ATOM 903 HD22 ASN A 102 -3.141 -16.972 16.090 1.00 0.00 H ATOM 904 HD21 ASN A 102 -1.961 -18.311 15.840 1.00 0.00 H ATOM 905 H ASN A 102 -3.446 -17.311 10.564 1.00 0.00 H ATOM 906 N TYR A 103 -6.298 -15.756 11.232 1.00 6.90 N ATOM 907 CA TYR A 103 -7.717 -15.456 11.074 1.00 7.26 C ATOM 908 C TYR A 103 -8.422 -16.768 10.768 1.00 8.07 C ATOM 909 O TYR A 103 -7.797 -17.718 10.296 1.00 8.90 O ATOM 910 CB TYR A 103 -7.947 -14.462 9.935 1.00 7.62 C ATOM 911 CG TYR A 103 -7.691 -13.004 10.281 1.00 7.24 C ATOM 912 CD1 TYR A 103 -6.448 -12.575 10.741 1.00 10.56 C ATOM 913 CD2 TYR A 103 -8.688 -12.053 10.125 1.00 6.24 C ATOM 914 CE1 TYR A 103 -6.216 -11.230 11.033 1.00 9.15 C ATOM 915 CE2 TYR A 103 -8.467 -10.720 10.420 1.00 8.14 C ATOM 916 CZ TYR A 103 -7.235 -10.316 10.875 1.00 9.62 C ATOM 917 OH TYR A 103 -7.026 -8.979 11.158 1.00 10.35 O ATOM 918 HH TYR A 103 -6.096 -8.851 11.473 1.00 0.00 H ATOM 919 H TYR A 103 -5.657 -15.659 10.418 1.00 0.00 H ATOM 920 N ASN A 104 -9.716 -16.830 11.056 1.00 6.47 N ATOM 921 CA ASN A 104 -10.505 -18.023 10.769 1.00 6.75 C ATOM 922 C ASN A 104 -11.382 -17.875 9.538 1.00 7.21 C ATOM 923 O ASN A 104 -11.768 -16.772 9.171 1.00 6.70 O ATOM 924 CB ASN A 104 -11.418 -18.366 11.950 1.00 6.24 C ATOM 925 CG ASN A 104 -10.668 -18.855 13.164 1.00 11.54 C ATOM 926 OD1 ASN A 104 -9.464 -19.114 13.120 1.00 11.81 O ATOM 927 ND2 ASN A 104 -11.391 -19.000 14.269 1.00 12.53 N ATOM 928 HD22 ASN A 104 -12.405 -18.769 14.261 1.00 0.00 H ATOM 929 HD21 ASN A 104 -10.943 -19.344 15.142 1.00 0.00 H ATOM 930 H ASN A 104 -10.178 -16.009 11.496 1.00 0.00 H ATOM 931 N THR A 105 -11.705 -19.005 8.921 1.00 5.41 N ATOM 932 CA THR A 105 -12.730 -19.062 7.884 1.00 5.84 C ATOM 933 C THR A 105 -13.891 -19.948 8.312 1.00 6.88 C ATOM 934 O THR A 105 -13.732 -20.854 9.147 1.00 6.28 O ATOM 935 CB THR A 105 -12.174 -19.557 6.550 1.00 5.64 C ATOM 936 OG1 THR A 105 -11.735 -20.912 6.696 1.00 7.99 O ATOM 937 CG2 THR A 105 -10.999 -18.699 6.123 1.00 8.49 C ATOM 938 HG1 THR A 105 -11.374 -21.236 5.833 1.00 0.00 H ATOM 939 H THR A 105 -11.210 -19.880 9.186 1.00 0.00 H ATOM 940 N TYR A 106 -15.057 -19.680 7.727 1.00 6.08 N ATOM 941 CA TYR A 106 -16.305 -20.389 8.030 1.00 5.61 C ATOM 942 C TYR A 106 -16.971 -20.803 6.731 1.00 5.57 C ATOM 943 O TYR A 106 -17.507 -19.967 6.001 1.00 7.52 O ATOM 944 CB TYR A 106 -17.234 -19.513 8.876 1.00 6.75 C ATOM 945 CG TYR A 106 -16.577 -19.149 10.176 1.00 6.55 C ATOM 946 CD1 TYR A 106 -16.640 -20.009 11.259 1.00 5.87 C ATOM 947 CD2 TYR A 106 -15.814 -17.992 10.297 1.00 7.46 C ATOM 948 CE1 TYR A 106 -15.994 -19.720 12.444 1.00 7.56 C ATOM 949 CE2 TYR A 106 -15.168 -17.689 11.482 1.00 8.32 C ATOM 950 CZ TYR A 106 -15.262 -18.564 12.545 1.00 7.70 C ATOM 951 OH TYR A 106 -14.620 -18.277 13.725 1.00 9.04 O ATOM 952 HH TYR A 106 -14.790 -19.003 14.377 1.00 0.00 H ATOM 953 H TYR A 106 -15.084 -18.924 7.014 1.00 0.00 H ATOM 954 N ARG A 107 -16.884 -22.095 6.432 1.00 5.95 N ATOM 955 CA ARG A 107 -17.367 -22.652 5.173 1.00 5.10 C ATOM 956 C ARG A 107 -18.666 -23.417 5.422 1.00 5.54 C ATOM 957 O ARG A 107 -18.755 -24.226 6.349 1.00 7.55 O ATOM 958 CB ARG A 107 -16.293 -23.567 4.578 1.00 7.48 C ATOM 959 CG ARG A 107 -16.612 -24.113 3.180 1.00 8.75 C ATOM 960 CD ARG A 107 -15.385 -24.787 2.551 1.00 9.86 C ATOM 961 NE ARG A 107 -14.837 -25.873 3.366 1.00 10.74 N ATOM 962 CZ ARG A 107 -15.210 -27.147 3.283 1.00 11.27 C ATOM 963 NH1 ARG A 107 -16.153 -27.521 2.428 1.00 14.45 N ATOM 964 NH2 ARG A 107 -14.636 -28.056 4.065 1.00 12.99 N ATOM 965 HE ARG A 107 -14.102 -25.630 4.061 1.00 0.00 H ATOM 966 HH12 ARG A 107 -16.437 -28.520 2.371 1.00 0.00 H ATOM 967 HH11 ARG A 107 -16.608 -26.815 1.814 1.00 0.00 H ATOM 968 HH22 ARG A 107 -14.925 -29.053 4.003 1.00 0.00 H ATOM 969 HH21 ARG A 107 -13.898 -27.770 4.739 1.00 0.00 H ATOM 970 H ARG A 107 -16.452 -22.738 7.126 1.00 0.00 H ATOM 971 N SER A 108 -19.686 -23.142 4.617 1.00 7.28 N ATOM 972 CA SER A 108 -20.978 -23.804 4.797 1.00 6.91 C ATOM 973 C SER A 108 -20.880 -25.324 4.714 1.00 6.73 C ATOM 974 O SER A 108 -20.288 -25.865 3.785 1.00 7.64 O ATOM 975 CB SER A 108 -21.985 -23.291 3.762 1.00 8.04 C ATOM 976 OG SER A 108 -23.228 -23.963 3.903 1.00 8.65 O ATOM 977 HG SER A 108 -23.588 -23.801 4.811 1.00 0.00 H ATOM 978 H SER A 108 -19.565 -22.449 3.851 1.00 0.00 H ATOM 979 N ARG A 109 -21.473 -26.008 5.690 1.00 7.85 N ATOM 980 CA ARG A 109 -21.527 -27.466 5.684 1.00 8.02 C ATOM 981 C ARG A 109 -22.529 -27.944 4.632 1.00 9.94 C ATOM 982 O ARG A 109 -22.461 -29.086 4.155 1.00 10.53 O ATOM 983 CB ARG A 109 -21.922 -27.971 7.079 1.00 8.24 C ATOM 984 CG ARG A 109 -21.838 -29.480 7.256 1.00 9.00 C ATOM 985 CD ARG A 109 -22.314 -29.876 8.652 1.00 11.85 C ATOM 986 NE ARG A 109 -22.279 -31.324 8.842 1.00 10.44 N ATOM 987 CZ ARG A 109 -23.183 -32.160 8.343 1.00 10.78 C ATOM 988 NH1 ARG A 109 -24.195 -31.696 7.625 1.00 10.92 N ATOM 989 NH2 ARG A 109 -23.072 -33.461 8.559 1.00 13.06 N ATOM 990 HE ARG A 109 -21.499 -31.725 9.402 1.00 0.00 H ATOM 991 HH12 ARG A 109 -24.901 -32.353 7.236 1.00 0.00 H ATOM 992 HH11 ARG A 109 -24.284 -30.675 7.450 1.00 0.00 H ATOM 993 HH22 ARG A 109 -23.780 -34.115 8.168 1.00 0.00 H ATOM 994 HH21 ARG A 109 -22.277 -33.829 9.119 1.00 0.00 H ATOM 995 H ARG A 109 -21.910 -25.489 6.478 1.00 0.00 H ATOM 996 N LYS A 110 -23.457 -27.065 4.271 1.00 8.38 N ATOM 997 CA LYS A 110 -24.520 -27.412 3.332 1.00 8.34 C ATOM 998 C LYS A 110 -24.173 -27.037 1.893 1.00 11.07 C ATOM 999 O LYS A 110 -24.441 -27.792 0.952 1.00 11.33 O ATOM 1000 CB LYS A 110 -25.836 -26.741 3.749 1.00 11.19 C ATOM 1001 CG LYS A 110 -27.050 -27.280 3.002 1.00 13.98 C ATOM 1002 CD LYS A 110 -28.370 -26.797 3.579 1.00 13.56 C ATOM 1003 CE LYS A 110 -29.543 -27.438 2.840 1.00 15.69 C ATOM 1004 NZ LYS A 110 -30.867 -27.021 3.391 1.00 26.88 N ATOM 1005 HZ1 LYS A 110 -30.928 -27.300 4.391 1.00 0.00 H ATOM 1006 HZ2 LYS A 110 -30.965 -25.989 3.311 1.00 0.00 H ATOM 1007 HZ3 LYS A 110 -31.627 -27.485 2.853 1.00 0.00 H ATOM 1008 H LYS A 110 -23.426 -26.104 4.668 1.00 0.00 H ATOM 1009 N TYR A 111 -23.583 -25.860 1.723 1.00 9.41 N ATOM 1010 CA TYR A 111 -23.183 -25.382 0.410 1.00 9.27 C ATOM 1011 C TYR A 111 -21.672 -25.268 0.467 1.00 9.59 C ATOM 1012 O TYR A 111 -21.119 -24.207 0.759 1.00 9.65 O ATOM 1013 CB TYR A 111 -23.885 -24.056 0.095 1.00 10.22 C ATOM 1014 CG TYR A 111 -25.369 -24.138 0.367 1.00 9.44 C ATOM 1015 CD1 TYR A 111 -26.191 -24.904 -0.445 1.00 11.47 C ATOM 1016 CD2 TYR A 111 -25.940 -23.488 1.457 1.00 8.82 C ATOM 1017 CE1 TYR A 111 -27.539 -25.009 -0.191 1.00 12.46 C ATOM 1018 CE2 TYR A 111 -27.293 -23.589 1.720 1.00 10.58 C ATOM 1019 CZ TYR A 111 -28.088 -24.354 0.890 1.00 12.33 C ATOM 1020 OH TYR A 111 -29.441 -24.474 1.135 1.00 14.43 O ATOM 1021 HH TYR A 111 -29.850 -25.055 0.445 1.00 0.00 H ATOM 1022 H TYR A 111 -23.402 -25.262 2.554 1.00 0.00 H ATOM 1023 N THR A 112 -21.013 -26.389 0.193 1.00 9.29 N ATOM 1024 CA THR A 112 -19.644 -26.620 0.642 1.00 9.75 C ATOM 1025 C THR A 112 -18.545 -25.838 -0.073 1.00 10.25 C ATOM 1026 O THR A 112 -17.392 -25.917 0.331 1.00 11.58 O ATOM 1027 CB THR A 112 -19.300 -28.117 0.603 1.00 10.14 C ATOM 1028 OG1 THR A 112 -19.620 -28.642 -0.692 1.00 13.06 O ATOM 1029 CG2 THR A 112 -20.108 -28.861 1.641 1.00 12.60 C ATOM 1030 HG1 THR A 112 -19.095 -28.162 -1.380 1.00 0.00 H ATOM 1031 H THR A 112 -21.490 -27.128 -0.361 1.00 0.00 H ATOM 1032 N SER A 113 -18.895 -25.102 -1.126 1.00 10.51 N ATOM 1033 CA SER A 113 -17.930 -24.234 -1.797 1.00 10.15 C ATOM 1034 C SER A 113 -18.045 -22.773 -1.350 1.00 10.25 C ATOM 1035 O SER A 113 -17.291 -21.916 -1.820 1.00 12.02 O ATOM 1036 CB SER A 113 -18.089 -24.309 -3.319 1.00 11.71 C ATOM 1037 OG SER A 113 -17.813 -25.607 -3.807 1.00 17.14 O ATOM 1038 HG SER A 113 -18.439 -26.253 -3.394 1.00 0.00 H ATOM 1039 H SER A 113 -19.873 -25.146 -1.477 1.00 0.00 H ATOM 1040 N TRP A 114 -18.976 -22.489 -0.440 1.00 9.44 N ATOM 1041 CA TRP A 114 -19.305 -21.109 -0.081 1.00 9.33 C ATOM 1042 C TRP A 114 -18.911 -20.754 1.350 1.00 6.88 C ATOM 1043 O TRP A 114 -19.039 -21.577 2.262 1.00 8.52 O ATOM 1044 CB TRP A 114 -20.799 -20.865 -0.275 1.00 9.25 C ATOM 1045 CG TRP A 114 -21.284 -21.045 -1.685 1.00 9.31 C ATOM 1046 CD1 TRP A 114 -20.526 -21.216 -2.804 1.00 12.15 C ATOM 1047 CD2 TRP A 114 -22.647 -21.051 -2.115 1.00 10.27 C ATOM 1048 NE1 TRP A 114 -21.339 -21.343 -3.912 1.00 14.42 N ATOM 1049 CE2 TRP A 114 -22.644 -21.246 -3.512 1.00 13.76 C ATOM 1050 CE3 TRP A 114 -23.870 -20.925 -1.451 1.00 11.94 C ATOM 1051 CZ2 TRP A 114 -23.821 -21.304 -4.261 1.00 15.38 C ATOM 1052 CZ3 TRP A 114 -25.041 -20.986 -2.197 1.00 13.56 C ATOM 1053 CH2 TRP A 114 -25.004 -21.167 -3.587 1.00 13.50 C ATOM 1054 HE1 TRP A 114 -21.014 -21.488 -4.889 1.00 0.00 H ATOM 1055 H TRP A 114 -19.482 -23.268 0.027 1.00 0.00 H ATOM 1056 N TYR A 115 -18.429 -19.527 1.533 1.00 5.68 N ATOM 1057 CA TYR A 115 -17.947 -19.060 2.837 1.00 6.38 C ATOM 1058 C TYR A 115 -18.735 -17.875 3.345 1.00 6.06 C ATOM 1059 O TYR A 115 -19.241 -17.074 2.561 1.00 6.99 O ATOM 1060 CB TYR A 115 -16.501 -18.585 2.717 1.00 6.94 C ATOM 1061 CG TYR A 115 -15.489 -19.650 2.383 1.00 6.77 C ATOM 1062 CD1 TYR A 115 -15.232 -20.008 1.060 1.00 7.90 C ATOM 1063 CD2 TYR A 115 -14.767 -20.276 3.380 1.00 6.91 C ATOM 1064 CE1 TYR A 115 -14.294 -20.985 0.758 1.00 8.99 C ATOM 1065 CE2 TYR A 115 -13.828 -21.249 3.082 1.00 9.12 C ATOM 1066 CZ TYR A 115 -13.593 -21.592 1.780 1.00 10.03 C ATOM 1067 OH TYR A 115 -12.654 -22.562 1.500 1.00 12.86 O ATOM 1068 HH TYR A 115 -12.601 -22.695 0.520 1.00 0.00 H ATOM 1069 H TYR A 115 -18.393 -18.876 0.723 1.00 0.00 H ATOM 1070 N VAL A 116 -18.813 -17.750 4.666 1.00 6.24 N ATOM 1071 CA VAL A 116 -19.260 -16.507 5.289 1.00 5.78 C ATOM 1072 C VAL A 116 -18.264 -15.418 4.915 1.00 5.76 C ATOM 1073 O VAL A 116 -17.050 -15.639 5.005 1.00 6.47 O ATOM 1074 CB VAL A 116 -19.275 -16.655 6.819 1.00 4.54 C ATOM 1075 CG1 VAL A 116 -19.634 -15.325 7.493 1.00 5.90 C ATOM 1076 CG2 VAL A 116 -20.229 -17.785 7.221 1.00 6.76 C ATOM 1077 H VAL A 116 -18.550 -18.555 5.269 1.00 0.00 H ATOM 1078 N ALA A 117 -18.744 -14.246 4.508 1.00 4.96 N ATOM 1079 CA ALA A 117 -17.832 -13.211 4.027 1.00 4.96 C ATOM 1080 C ALA A 117 -18.452 -11.827 4.073 1.00 5.31 C ATOM 1081 O ALA A 117 -19.665 -11.684 3.892 1.00 6.94 O ATOM 1082 CB ALA A 117 -17.406 -13.527 2.603 1.00 7.44 C ATOM 1083 H ALA A 117 -19.768 -14.067 4.532 1.00 0.00 H ATOM 1084 N LEU A 118 -17.609 -10.818 4.301 1.00 5.09 N ATOM 1085 CA LEU A 118 -18.030 -9.413 4.230 1.00 5.36 C ATOM 1086 C LEU A 118 -17.248 -8.691 3.153 1.00 6.72 C ATOM 1087 O LEU A 118 -16.033 -8.885 3.021 1.00 6.05 O ATOM 1088 CB LEU A 118 -17.830 -8.689 5.566 1.00 6.75 C ATOM 1089 CG LEU A 118 -18.721 -9.148 6.715 1.00 7.09 C ATOM 1090 CD1 LEU A 118 -18.401 -8.361 7.978 1.00 7.49 C ATOM 1091 CD2 LEU A 118 -20.187 -8.992 6.364 1.00 8.47 C ATOM 1092 H LEU A 118 -16.620 -11.034 4.537 1.00 0.00 H ATOM 1093 N LYS A 119 -17.954 -7.867 2.380 1.00 7.52 N ATOM 1094 CA LYS A 119 -17.329 -7.002 1.385 1.00 7.86 C ATOM 1095 C LYS A 119 -16.748 -5.753 2.042 1.00 7.83 C ATOM 1096 O LYS A 119 -17.099 -5.407 3.176 1.00 8.18 O ATOM 1097 CB LYS A 119 -18.363 -6.584 0.344 1.00 9.07 C ATOM 1098 CG LYS A 119 -18.976 -7.765 -0.364 1.00 8.63 C ATOM 1099 CD LYS A 119 -19.800 -7.368 -1.578 1.00 12.83 C ATOM 1100 CE LYS A 119 -21.081 -6.682 -1.210 1.00 15.68 C ATOM 1101 NZ LYS A 119 -21.842 -6.342 -2.456 1.00 23.42 N ATOM 1102 HZ1 LYS A 119 -21.268 -5.710 -3.050 1.00 0.00 H ATOM 1103 HZ2 LYS A 119 -22.054 -7.215 -2.980 1.00 0.00 H ATOM 1104 HZ3 LYS A 119 -22.730 -5.866 -2.199 1.00 0.00 H ATOM 1105 H LYS A 119 -18.988 -7.839 2.490 1.00 0.00 H ATOM 1106 N ARG A 120 -15.876 -5.067 1.312 1.00 7.99 N ATOM 1107 CA ARG A 120 -15.306 -3.793 1.763 1.00 10.68 C ATOM 1108 C ARG A 120 -16.357 -2.695 1.944 1.00 10.17 C ATOM 1109 O ARG A 120 -16.080 -1.659 2.556 1.00 10.72 O ATOM 1110 CB ARG A 120 -14.228 -3.311 0.781 1.00 11.77 C ATOM 1111 CG ARG A 120 -12.950 -4.141 0.793 1.00 15.34 C ATOM 1112 CD ARG A 120 -12.021 -3.715 1.920 1.00 19.97 C ATOM 1113 NE ARG A 120 -11.529 -2.356 1.709 1.00 23.29 N ATOM 1114 CZ ARG A 120 -10.474 -2.050 0.958 1.00 28.43 C ATOM 1115 NH1 ARG A 120 -9.792 -3.006 0.342 1.00 26.60 N ATOM 1116 NH2 ARG A 120 -10.101 -0.785 0.819 1.00 31.34 N ATOM 1117 HE ARG A 120 -12.036 -1.577 2.176 1.00 0.00 H ATOM 1118 HH12 ARG A 120 -8.968 -2.762 -0.244 1.00 0.00 H ATOM 1119 HH11 ARG A 120 -10.081 -4.000 0.445 1.00 0.00 H ATOM 1120 HH22 ARG A 120 -9.276 -0.548 0.232 1.00 0.00 H ATOM 1121 HH21 ARG A 120 -10.633 -0.030 1.297 1.00 0.00 H ATOM 1122 H ARG A 120 -15.587 -5.447 0.388 1.00 0.00 H ATOM 1123 N THR A 121 -17.555 -2.925 1.414 1.00 8.41 N ATOM 1124 CA THR A 121 -18.659 -1.980 1.561 1.00 9.45 C ATOM 1125 C THR A 121 -19.349 -2.134 2.909 1.00 9.61 C ATOM 1126 O THR A 121 -20.129 -1.269 3.303 1.00 11.89 O ATOM 1127 CB THR A 121 -19.727 -2.190 0.486 1.00 11.68 C ATOM 1128 OG1 THR A 121 -20.271 -3.509 0.627 1.00 11.43 O ATOM 1129 CG2 THR A 121 -19.146 -2.023 -0.911 1.00 12.92 C ATOM 1130 HG1 THR A 121 -20.964 -3.655 -0.065 1.00 0.00 H ATOM 1131 H THR A 121 -17.710 -3.803 0.879 1.00 0.00 H ATOM 1132 N GLY A 122 -19.087 -3.241 3.603 1.00 8.54 N ATOM 1133 CA GLY A 122 -19.723 -3.502 4.881 1.00 11.17 C ATOM 1134 C GLY A 122 -20.937 -4.409 4.786 1.00 10.13 C ATOM 1135 O GLY A 122 -21.517 -4.789 5.805 1.00 12.37 O ATOM 1136 H GLY A 122 -18.412 -3.933 3.220 1.00 0.00 H ATOM 1137 N GLN A 123 -21.336 -4.760 3.570 1.00 10.08 N ATOM 1138 CA GLN A 123 -22.430 -5.706 3.376 1.00 10.24 C ATOM 1139 C GLN A 123 -21.865 -7.100 3.177 1.00 8.61 C ATOM 1140 O GLN A 123 -20.714 -7.244 2.770 1.00 9.44 O ATOM 1141 CB GLN A 123 -23.248 -5.312 2.146 1.00 12.40 C ATOM 1142 CG GLN A 123 -23.778 -3.886 2.189 1.00 16.66 C ATOM 1143 CD GLN A 123 -25.016 -3.739 3.044 1.00 30.15 C ATOM 1144 OE1 GLN A 123 -25.037 -4.142 4.207 1.00 31.02 O ATOM 1145 NE2 GLN A 123 -26.064 -3.157 2.469 1.00 37.22 N ATOM 1146 HE22 GLN A 123 -26.002 -2.831 1.483 1.00 0.00 H ATOM 1147 HE21 GLN A 123 -26.946 -3.027 3.005 1.00 0.00 H ATOM 1148 H GLN A 123 -20.860 -4.353 2.740 1.00 0.00 H ATOM 1149 N TYR A 124 -22.666 -8.132 3.428 1.00 7.73 N ATOM 1150 CA TYR A 124 -22.169 -9.491 3.207 1.00 8.21 C ATOM 1151 C TYR A 124 -21.868 -9.731 1.723 1.00 8.79 C ATOM 1152 O TYR A 124 -22.483 -9.112 0.837 1.00 9.26 O ATOM 1153 CB TYR A 124 -23.099 -10.576 3.805 1.00 8.06 C ATOM 1154 CG TYR A 124 -24.421 -10.767 3.090 1.00 10.10 C ATOM 1155 CD1 TYR A 124 -24.494 -11.456 1.885 1.00 11.89 C ATOM 1156 CD2 TYR A 124 -25.596 -10.280 3.636 1.00 13.41 C ATOM 1157 CE1 TYR A 124 -25.693 -11.621 1.228 1.00 13.71 C ATOM 1158 CE2 TYR A 124 -26.800 -10.446 2.993 1.00 15.20 C ATOM 1159 CZ TYR A 124 -26.844 -11.118 1.794 1.00 16.69 C ATOM 1160 OH TYR A 124 -28.048 -11.281 1.152 1.00 24.21 O ATOM 1161 HH TYR A 124 -28.435 -10.393 0.948 1.00 0.00 H ATOM 1162 H TYR A 124 -23.633 -7.975 3.777 1.00 0.00 H ATOM 1163 N LYS A 125 -20.907 -10.612 1.455 1.00 7.83 N ATOM 1164 CA LYS A 125 -20.618 -11.039 0.090 1.00 8.14 C ATOM 1165 C LYS A 125 -21.397 -12.315 -0.196 1.00 6.85 C ATOM 1166 O LYS A 125 -21.359 -13.255 0.586 1.00 7.42 O ATOM 1167 CB LYS A 125 -19.114 -11.285 -0.075 1.00 7.24 C ATOM 1168 CG LYS A 125 -18.622 -11.347 -1.523 1.00 7.06 C ATOM 1169 CD LYS A 125 -17.099 -11.311 -1.556 1.00 7.14 C ATOM 1170 CE LYS A 125 -16.588 -11.071 -2.967 1.00 8.60 C ATOM 1171 NZ LYS A 125 -15.112 -10.900 -2.935 1.00 7.42 N ATOM 1172 HZ1 LYS A 125 -14.872 -10.086 -2.335 1.00 0.00 H ATOM 1173 HZ2 LYS A 125 -14.673 -11.759 -2.547 1.00 0.00 H ATOM 1174 HZ3 LYS A 125 -14.762 -10.736 -3.901 1.00 0.00 H ATOM 1175 H LYS A 125 -20.348 -11.006 2.238 1.00 0.00 H ATOM 1176 N LEU A 126 -22.128 -12.342 -1.307 1.00 8.03 N ATOM 1177 CA LEU A 126 -22.902 -13.525 -1.680 1.00 8.40 C ATOM 1178 C LEU A 126 -22.008 -14.762 -1.641 1.00 9.01 C ATOM 1179 O LEU A 126 -20.871 -14.733 -2.119 1.00 8.71 O ATOM 1180 CB LEU A 126 -23.484 -13.337 -3.082 1.00 11.89 C ATOM 1181 CG LEU A 126 -24.689 -14.179 -3.488 1.00 14.70 C ATOM 1182 CD1 LEU A 126 -25.926 -13.743 -2.694 1.00 11.57 C ATOM 1183 CD2 LEU A 126 -24.946 -14.048 -4.990 1.00 17.96 C ATOM 1184 H LEU A 126 -22.149 -11.504 -1.923 1.00 0.00 H ATOM 1185 N GLY A 127 -22.511 -15.841 -1.047 1.00 9.81 N ATOM 1186 CA GLY A 127 -21.739 -17.060 -0.882 1.00 10.12 C ATOM 1187 C GLY A 127 -21.089 -17.548 -2.162 1.00 8.00 C ATOM 1188 O GLY A 127 -19.932 -17.967 -2.160 1.00 8.68 O ATOM 1189 H GLY A 127 -23.487 -15.811 -0.690 1.00 0.00 H ATOM 1190 N SER A 128 -21.826 -17.478 -3.264 1.00 9.87 N ATOM 1191 CA SER A 128 -21.334 -17.983 -4.544 1.00 10.38 C ATOM 1192 C SER A 128 -20.192 -17.148 -5.126 1.00 10.82 C ATOM 1193 O SER A 128 -19.505 -17.597 -6.050 1.00 12.20 O ATOM 1194 CB SER A 128 -22.482 -18.074 -5.550 1.00 14.00 C ATOM 1195 OG SER A 128 -23.158 -16.842 -5.639 1.00 15.14 O ATOM 1196 HG SER A 128 -23.897 -16.919 -6.294 1.00 0.00 H ATOM 1197 H SER A 128 -22.775 -17.054 -3.215 1.00 0.00 H ATOM 1198 N LYS A 129 -19.997 -15.943 -4.594 1.00 8.34 N ATOM 1199 CA LYS A 129 -18.912 -15.068 -5.038 1.00 8.72 C ATOM 1200 C LYS A 129 -17.687 -15.150 -4.134 1.00 10.52 C ATOM 1201 O LYS A 129 -16.743 -14.372 -4.297 1.00 12.50 O ATOM 1202 CB LYS A 129 -19.378 -13.608 -5.108 1.00 9.22 C ATOM 1203 CG LYS A 129 -20.491 -13.335 -6.112 1.00 9.27 C ATOM 1204 CD LYS A 129 -20.773 -11.836 -6.234 1.00 12.08 C ATOM 1205 CE LYS A 129 -21.938 -11.567 -7.160 1.00 21.15 C ATOM 1206 NZ LYS A 129 -22.133 -10.103 -7.369 1.00 20.95 N ATOM 1207 HZ1 LYS A 129 -22.323 -9.646 -6.454 1.00 0.00 H ATOM 1208 HZ2 LYS A 129 -21.273 -9.697 -7.790 1.00 0.00 H ATOM 1209 HZ3 LYS A 129 -22.939 -9.950 -8.008 1.00 0.00 H ATOM 1210 H LYS A 129 -20.635 -15.614 -3.841 1.00 0.00 H ATOM 1211 N THR A 130 -17.702 -16.068 -3.172 1.00 8.20 N ATOM 1212 CA THR A 130 -16.557 -16.229 -2.280 1.00 10.18 C ATOM 1213 C THR A 130 -15.580 -17.272 -2.803 1.00 9.38 C ATOM 1214 O THR A 130 -15.865 -17.975 -3.773 1.00 10.86 O ATOM 1215 CB THR A 130 -16.982 -16.581 -0.833 1.00 8.94 C ATOM 1216 OG1 THR A 130 -17.605 -17.874 -0.802 1.00 8.17 O ATOM 1217 CG2 THR A 130 -17.943 -15.521 -0.303 1.00 8.55 C ATOM 1218 HG1 THR A 130 -18.406 -17.867 -1.384 1.00 0.00 H ATOM 1219 H THR A 130 -18.537 -16.677 -3.054 1.00 0.00 H ATOM 1220 N GLY A 131 -14.424 -17.362 -2.160 1.00 8.55 N ATOM 1221 CA GLY A 131 -13.405 -18.322 -2.540 1.00 11.07 C ATOM 1222 C GLY A 131 -12.353 -18.411 -1.456 1.00 8.92 C ATOM 1223 O GLY A 131 -12.241 -17.512 -0.624 1.00 8.51 O ATOM 1224 H GLY A 131 -14.242 -16.725 -1.359 1.00 0.00 H ATOM 1225 N PRO A 132 -11.553 -19.487 -1.466 1.00 8.89 N ATOM 1226 CA PRO A 132 -10.643 -19.773 -0.347 1.00 9.11 C ATOM 1227 C PRO A 132 -9.508 -18.766 -0.164 1.00 7.16 C ATOM 1228 O PRO A 132 -8.952 -18.684 0.943 1.00 9.10 O ATOM 1229 CB PRO A 132 -10.058 -21.142 -0.716 1.00 9.78 C ATOM 1230 CG PRO A 132 -10.231 -21.237 -2.199 1.00 12.28 C ATOM 1231 CD PRO A 132 -11.533 -20.557 -2.477 1.00 11.91 C ATOM 1232 N GLY A 133 -9.175 -18.010 -1.205 1.00 8.24 N ATOM 1233 CA GLY A 133 -8.082 -17.061 -1.134 1.00 8.61 C ATOM 1234 C GLY A 133 -8.497 -15.606 -1.003 1.00 9.53 C ATOM 1235 O GLY A 133 -7.670 -14.702 -1.128 1.00 10.40 O ATOM 1236 H GLY A 133 -9.711 -18.102 -2.091 1.00 0.00 H ATOM 1237 N GLN A 134 -9.779 -15.369 -0.745 1.00 6.82 N ATOM 1238 CA GLN A 134 -10.267 -14.002 -0.601 1.00 8.46 C ATOM 1239 C GLN A 134 -10.064 -13.427 0.802 1.00 8.12 C ATOM 1240 O GLN A 134 -10.140 -14.140 1.811 1.00 8.15 O ATOM 1241 CB GLN A 134 -11.752 -13.920 -0.976 1.00 6.83 C ATOM 1242 CG GLN A 134 -12.047 -14.219 -2.442 1.00 5.96 C ATOM 1243 CD GLN A 134 -13.509 -14.035 -2.796 1.00 6.82 C ATOM 1244 OE1 GLN A 134 -14.287 -13.474 -2.016 1.00 9.08 O ATOM 1245 NE2 GLN A 134 -13.892 -14.511 -3.975 1.00 9.33 N ATOM 1246 HE22 GLN A 134 -13.201 -14.976 -4.598 1.00 0.00 H ATOM 1247 HE21 GLN A 134 -14.883 -14.419 -4.276 1.00 0.00 H ATOM 1248 H GLN A 134 -10.440 -16.165 -0.645 1.00 0.00 H ATOM 1249 N LYS A 135 -9.840 -12.122 0.866 1.00 6.86 N ATOM 1250 CA LYS A 135 -9.735 -11.437 2.148 1.00 6.95 C ATOM 1251 C LYS A 135 -11.107 -11.398 2.841 1.00 7.13 C ATOM 1252 O LYS A 135 -11.198 -11.379 4.074 1.00 7.21 O ATOM 1253 CB LYS A 135 -9.174 -10.022 1.938 1.00 9.86 C ATOM 1254 CG LYS A 135 -8.721 -9.316 3.201 1.00 12.50 C ATOM 1255 CD LYS A 135 -8.078 -7.960 2.906 1.00 17.46 C ATOM 1256 CE LYS A 135 -6.662 -8.117 2.373 1.00 21.49 C ATOM 1257 NZ LYS A 135 -5.986 -6.803 2.168 1.00 27.58 N ATOM 1258 HZ1 LYS A 135 -6.528 -6.239 1.483 1.00 0.00 H ATOM 1259 HZ2 LYS A 135 -5.935 -6.295 3.074 1.00 0.00 H ATOM 1260 HZ3 LYS A 135 -5.025 -6.962 1.804 1.00 0.00 H ATOM 1261 H LYS A 135 -9.737 -11.577 -0.014 1.00 0.00 H ATOM 1262 N ALA A 136 -12.170 -11.424 2.038 1.00 6.19 N ATOM 1263 CA ALA A 136 -13.536 -11.286 2.545 1.00 5.35 C ATOM 1264 C ALA A 136 -13.960 -12.385 3.515 1.00 6.94 C ATOM 1265 O ALA A 136 -14.875 -12.187 4.322 1.00 5.98 O ATOM 1266 CB ALA A 136 -14.521 -11.202 1.381 1.00 7.42 C ATOM 1267 H ALA A 136 -12.024 -11.547 1.016 1.00 0.00 H ATOM 1268 N ILE A 137 -13.302 -13.538 3.428 1.00 6.57 N ATOM 1269 CA ILE A 137 -13.696 -14.705 4.223 1.00 5.51 C ATOM 1270 C ILE A 137 -12.926 -14.850 5.536 1.00 5.59 C ATOM 1271 O ILE A 137 -13.140 -15.817 6.282 1.00 6.30 O ATOM 1272 CB ILE A 137 -13.549 -16.028 3.421 1.00 5.44 C ATOM 1273 CG1 ILE A 137 -12.075 -16.414 3.240 1.00 5.54 C ATOM 1274 CG2 ILE A 137 -14.278 -15.926 2.072 1.00 6.46 C ATOM 1275 CD1 ILE A 137 -11.884 -17.818 2.720 1.00 7.66 C ATOM 1276 H ILE A 137 -12.490 -13.613 2.782 1.00 0.00 H ATOM 1277 N LEU A 138 -12.017 -13.917 5.804 1.00 5.46 N ATOM 1278 CA LEU A 138 -11.110 -14.036 6.956 1.00 5.37 C ATOM 1279 C LEU A 138 -11.635 -13.240 8.148 1.00 5.80 C ATOM 1280 O LEU A 138 -11.859 -12.028 8.041 1.00 5.87 O ATOM 1281 CB LEU A 138 -9.716 -13.521 6.578 1.00 6.60 C ATOM 1282 CG LEU A 138 -9.013 -14.298 5.463 1.00 5.84 C ATOM 1283 CD1 LEU A 138 -7.756 -13.557 5.022 1.00 7.19 C ATOM 1284 CD2 LEU A 138 -8.670 -15.700 5.939 1.00 8.86 C ATOM 1285 H LEU A 138 -11.946 -13.084 5.185 1.00 0.00 H ATOM 1286 N PHE A 139 -11.822 -13.912 9.283 1.00 5.77 N ATOM 1287 CA PHE A 139 -12.333 -13.275 10.504 1.00 5.75 C ATOM 1288 C PHE A 139 -11.471 -13.613 11.721 1.00 5.80 C ATOM 1289 O PHE A 139 -11.235 -14.788 12.023 1.00 6.92 O ATOM 1290 CB PHE A 139 -13.770 -13.719 10.810 1.00 7.01 C ATOM 1291 CG PHE A 139 -14.772 -13.337 9.762 1.00 5.52 C ATOM 1292 CD1 PHE A 139 -14.956 -14.125 8.641 1.00 6.23 C ATOM 1293 CD2 PHE A 139 -15.536 -12.188 9.902 1.00 6.55 C ATOM 1294 CE1 PHE A 139 -15.887 -13.778 7.668 1.00 6.07 C ATOM 1295 CE2 PHE A 139 -16.472 -11.836 8.947 1.00 5.61 C ATOM 1296 CZ PHE A 139 -16.645 -12.627 7.811 1.00 5.86 C ATOM 1297 H PHE A 139 -11.597 -14.927 9.305 1.00 0.00 H ATOM 1298 N LEU A 140 -11.042 -12.582 12.444 1.00 5.83 N ATOM 1299 CA LEU A 140 -10.297 -12.770 13.686 1.00 6.06 C ATOM 1300 C LEU A 140 -11.272 -12.713 14.856 1.00 6.84 C ATOM 1301 O LEU A 140 -11.936 -11.704 15.070 1.00 8.34 O ATOM 1302 CB LEU A 140 -9.232 -11.680 13.827 1.00 6.55 C ATOM 1303 CG LEU A 140 -8.318 -11.760 15.048 1.00 7.32 C ATOM 1304 CD1 LEU A 140 -7.406 -12.953 14.911 1.00 7.89 C ATOM 1305 CD2 LEU A 140 -7.505 -10.487 15.221 1.00 9.12 C ATOM 1306 H LEU A 140 -11.243 -11.616 12.116 1.00 0.00 H ATOM 1307 N PRO A 141 -11.376 -13.804 15.621 1.00 8.06 N ATOM 1308 CA PRO A 141 -12.246 -13.733 16.797 1.00 7.98 C ATOM 1309 C PRO A 141 -11.575 -12.880 17.866 1.00 9.05 C ATOM 1310 O PRO A 141 -10.423 -13.121 18.208 1.00 16.60 O ATOM 1311 CB PRO A 141 -12.348 -15.196 17.257 1.00 9.54 C ATOM 1312 CG PRO A 141 -11.898 -16.018 16.082 1.00 12.09 C ATOM 1313 CD PRO A 141 -10.859 -15.159 15.390 1.00 7.74 C ATOM 1314 N MET A 142 -12.261 -11.861 18.353 1.00 9.35 N ATOM 1315 CA MET A 142 -11.680 -11.001 19.365 1.00 10.21 C ATOM 1316 C MET A 142 -12.570 -11.009 20.597 1.00 12.42 C ATOM 1317 O MET A 142 -13.776 -11.225 20.497 1.00 13.42 O ATOM 1318 CB MET A 142 -11.546 -9.580 18.818 1.00 11.68 C ATOM 1319 CG MET A 142 -10.736 -9.487 17.531 1.00 9.68 C ATOM 1320 SD MET A 142 -10.505 -7.785 16.993 1.00 14.36 S ATOM 1321 CE MET A 142 -9.484 -7.194 18.325 1.00 15.11 C ATOM 1322 H MET A 142 -13.224 -11.675 18.008 1.00 0.00 H ATOM 1323 N SER A 143 -11.988 -10.775 21.769 1.00 12.23 N ATOM 1324 CA SER A 143 -12.775 -10.792 22.998 1.00 16.53 C ATOM 1325 C SER A 143 -13.617 -9.530 23.132 1.00 23.26 C ATOM 1326 O SER A 143 -13.621 -8.686 22.239 1.00 19.48 O ATOM 1327 CB SER A 143 -11.872 -10.942 24.218 1.00 21.46 C ATOM 1328 OG SER A 143 -12.650 -11.173 25.378 1.00 25.45 O ATOM 1329 HG SER A 143 -13.177 -12.003 25.261 1.00 0.00 H ATOM 1330 H SER A 143 -10.967 -10.579 21.810 1.00 0.00 H TER 1331 SER A 143 HETATM 1332 O HOH 1 -24.835 -20.581 12.863 1.00 6.45 O HETATM 1333 O HOH 2 -15.334 -17.347 6.282 1.00 6.93 O HETATM 1334 O HOH 3 -18.771 -9.702 15.472 1.00 7.54 O HETATM 1335 O HOH 4 -22.285 -9.884 -3.241 1.00 9.60 O HETATM 1336 O HOH 5 -26.809 -10.189 17.927 1.00 7.66 O HETATM 1337 O HOH 6 -19.245 0.856 9.759 1.00 12.33 O HETATM 1338 O HOH 7 -24.974 -9.509 19.858 1.00 7.59 O HETATM 1339 O HOH 8 -5.120 -15.073 8.183 1.00 12.09 O HETATM 1340 O HOH 9 -13.537 -22.980 6.832 1.00 8.69 O HETATM 1341 O HOH 10 -21.091 -14.865 2.888 1.00 7.13 O HETATM 1342 O HOH 11 -8.327 -16.314 2.368 1.00 10.45 O HETATM 1343 O HOH 12 -15.998 -26.985 16.675 1.00 13.04 O HETATM 1344 O HOH 13 -18.003 -17.863 21.731 1.00 12.92 O HETATM 1345 O HOH 14 -12.924 -25.120 5.173 1.00 13.57 O HETATM 1346 O HOH 15 -25.230 -7.127 4.335 1.00 10.53 O HETATM 1347 O HOH 16 -26.940 -2.743 15.757 1.00 11.64 O HETATM 1348 O HOH 17 -17.913 -34.325 16.739 1.00 14.84 O HETATM 1349 O HOH 18 -19.229 -25.034 22.437 1.00 15.79 O HETATM 1350 O HOH 19 -23.839 -20.735 18.440 1.00 12.82 O HETATM 1351 O HOH 20 -24.512 -30.642 16.896 1.00 12.60 O HETATM 1352 O HOH 21 -14.069 -25.414 15.436 1.00 11.61 O HETATM 1353 O HOH 22 -23.225 0.881 15.082 1.00 9.93 O HETATM 1354 O HOH 23 -25.467 -29.010 7.210 1.00 14.37 O HETATM 1355 O HOH 24 -22.903 -16.452 25.065 1.00 18.13 O HETATM 1356 O HOH 25 -18.981 -11.082 26.639 1.00 15.29 O HETATM 1357 O HOH 26 -13.336 -1.768 13.116 1.00 18.23 O HETATM 1358 O HOH 27 -25.316 1.179 13.187 1.00 12.54 O HETATM 1359 O HOH 28 -8.672 -20.668 2.883 1.00 16.71 O HETATM 1360 O HOH 29 -28.704 -15.265 22.439 1.00 14.74 O HETATM 1361 O HOH 30 -18.051 -8.165 -4.424 1.00 13.59 O HETATM 1362 O HOH 31 -21.431 -24.747 -2.534 1.00 16.55 O HETATM 1363 O HOH 32 -2.686 -11.714 12.001 1.00 15.32 O HETATM 1364 O HOH 33 -10.122 -21.973 4.761 1.00 18.71 O HETATM 1365 O HOH 34 -24.649 -25.070 6.782 1.00 20.67 O HETATM 1366 O HOH 35 -4.554 -8.451 12.122 1.00 22.30 O HETATM 1367 O HOH 36 0.032 -17.271 11.354 1.00 15.58 O HETATM 1368 O HOH 37 -29.237 -10.441 5.691 1.00 15.35 O HETATM 1369 O HOH 38 -14.473 0.533 16.847 1.00 20.15 O HETATM 1370 O HOH 39 -20.771 -31.233 4.283 1.00 17.09 O HETATM 1371 O HOH 40 -36.064 -18.377 11.605 1.00 25.69 O HETATM 1372 O HOH 41 -31.566 -7.628 19.550 1.00 16.62 O HETATM 1373 O HOH 42 -32.207 -21.878 1.519 1.00 26.13 O HETATM 1374 O HOH 43 -9.999 -17.743 -3.941 1.00 17.20 O HETATM 1375 O HOH 44 -14.821 -30.955 10.641 1.00 20.02 O HETATM 1376 O HOH 45 -7.464 -5.143 0.626 1.00 24.14 O HETATM 1377 O HOH 46 -33.183 -18.473 19.139 1.00 16.76 O HETATM 1378 O HOH 47 -16.784 -33.395 12.625 1.00 23.79 O HETATM 1379 O HOH 48 -24.976 -7.988 0.069 1.00 22.01 O HETATM 1380 O HOH 49 -22.499 -3.589 -0.910 1.00 23.38 O HETATM 1381 O HOH 50 -8.292 -25.285 11.731 1.00 18.41 O HETATM 1382 O HOH 51 -30.490 -7.460 23.772 1.00 23.09 O HETATM 1383 O HOH 52 -11.198 -23.845 3.416 1.00 18.47 O HETATM 1384 O HOH 53 -16.979 -4.224 -2.287 1.00 20.95 O HETATM 1385 O HOH 54 -13.553 -0.845 3.273 1.00 19.12 O HETATM 1386 O HOH 55 -35.483 -21.590 12.444 1.00 26.16 O HETATM 1387 O HOH 56 -32.833 -29.944 5.250 1.00 20.08 O HETATM 1388 O HOH 57 -20.141 -32.854 6.559 1.00 22.52 O HETATM 1389 O HOH 58 -8.978 -22.144 26.957 1.00 29.61 O HETATM 1390 O HOH 59 -35.837 -25.557 17.452 1.00 23.95 O HETATM 1391 O HOH 60 -25.864 -17.296 -5.800 1.00 23.69 O HETATM 1392 O HOH 61 -14.516 -28.631 17.961 1.00 24.75 O HETATM 1393 O HOH 62 -16.573 -30.515 2.511 1.00 22.60 O HETATM 1394 O HOH 63 -19.687 1.341 2.095 1.00 14.35 O HETATM 1395 O HOH 64 -32.220 -21.784 8.158 1.00 21.55 O HETATM 1396 O HOH 65 -24.705 -20.778 21.009 1.00 23.74 O HETATM 1397 O HOH 66 -35.428 -13.237 21.756 1.00 23.93 O HETATM 1398 O HOH 67 -9.488 -1.896 11.756 1.00 29.24 O HETATM 1399 O HOH 68 -26.489 -29.612 0.610 1.00 18.49 O HETATM 1400 O HOH 69 -21.411 -0.578 8.360 1.00 23.41 O HETATM 1401 O HOH 70 -12.242 -27.727 5.517 1.00 26.98 O HETATM 1402 O HOH 71 -5.779 -16.081 2.552 1.00 22.87 O HETATM 1403 O HOH 72 -30.091 -10.219 1.615 1.00 29.72 O HETATM 1404 O HOH 73 -15.388 -2.220 -2.649 1.00 23.17 O HETATM 1405 O HOH 74 -10.905 -7.513 21.760 1.00 23.29 O HETATM 1406 O HOH 75 -15.709 -15.069 28.810 1.00 22.24 O HETATM 1407 O HOH 76 -17.816 -19.962 -4.546 1.00 23.80 O HETATM 1408 O HOH 77 -8.008 -23.298 1.692 1.00 26.70 O HETATM 1409 O HOH 78 -11.774 -26.368 13.649 1.00 23.04 O HETATM 1410 O HOH 79 -33.518 -26.007 6.314 1.00 26.00 O HETATM 1411 O HOH 80 -7.565 -23.820 -0.876 1.00 31.44 O HETATM 1412 O HOH 81 -15.697 -24.565 25.675 1.00 24.37 O HETATM 1413 O HOH 82 -12.090 -0.970 16.947 1.00 28.54 O HETATM 1414 O HOH 83 -26.657 -16.929 23.857 1.00 21.51 O HETATM 1415 O HOH 84 -22.260 -33.469 3.924 1.00 28.24 O HETATM 1416 O HOH 85 -19.105 -6.866 22.359 1.00 20.48 O HETATM 1417 O HOH 86 -5.925 -24.938 9.247 1.00 26.07 O HETATM 1418 O HOH 87 -20.341 -22.122 23.006 1.00 25.10 O HETATM 1419 O HOH 88 -8.994 -4.159 3.754 1.00 27.03 O HETATM 1420 O HOH 89 -33.701 -26.946 18.200 1.00 15.45 O HETATM 1421 O HOH 90 -34.081 -10.630 20.129 1.00 29.52 O HETATM 1422 O HOH 91 -1.992 -19.980 11.096 1.00 13.02 O HETATM 1423 O HOH 92 -17.129 -5.481 -6.642 1.00 23.29 O HETATM 1424 O HOH 93 -30.934 -26.297 -0.410 1.00 31.40 O HETATM 1425 O HOH 94 -19.232 -27.675 -3.181 1.00 23.51 O HETATM 1426 O HOH 95 -29.041 -28.472 -0.639 1.00 22.09 O HETATM 1427 O HOH 96 -27.924 -24.154 20.478 1.00 23.54 O HETATM 1428 O HOH 97 -16.786 0.996 2.035 1.00 20.98 O HETATM 1429 O HOH 98 -27.225 -23.946 23.365 1.00 30.64 O HETATM 1430 O HOH 99 -16.315 2.501 21.048 1.00 26.17 O HETATM 1431 O HOH 100 -24.588 -5.831 -1.217 1.00 27.37 O HETATM 1432 O HOH 101 -13.042 -23.778 -1.129 1.00 27.82 O HETATM 1433 O HOH 102 -16.732 -11.582 27.316 1.00 27.37 O HETATM 1434 O HOH 103 -14.460 -22.675 -2.671 1.00 28.45 O HETATM 1435 O HOH 104 -17.176 2.985 8.815 1.00 27.97 O HETATM 1436 O HOH 105 -29.036 -26.512 19.193 1.00 19.83 O HETATM 1437 O HOH 106 -16.697 -26.374 23.398 1.00 25.07 O HETATM 1438 O HOH 107 -30.482 -8.864 3.521 1.00 33.83 O HETATM 1439 N GNX A 108 -14.133 -7.392 -3.183 1.00 -0.27 N HETATM 1440 S1 GNX A 108 -15.080 -7.252 -1.973 1.00 -0.12 S HETATM 1441 O1S GNX A 108 -16.417 -6.901 -2.479 1.00 -0.47 O HETATM 1442 O2S GNX A 108 -15.082 -8.546 -1.265 1.00 -0.47 O HETATM 1443 O3S GNX A 108 -14.576 -6.206 -1.068 1.00 -0.47 O HETATM 1444 C2 GNX A 108 -13.963 -6.293 -4.152 1.00 0.12 C HETATM 1445 C1 GNX A 108 -12.742 -5.458 -3.738 1.00 0.18 C HETATM 1446 O5 GNX A 108 -12.548 -4.430 -4.720 1.00 -0.34 O HETATM 1447 C5 GNX A 108 -12.205 -4.958 -6.001 1.00 0.11 C HETATM 1448 C4 GNX A 108 -13.358 -5.798 -6.541 1.00 0.11 C HETATM 1449 C3 GNX A 108 -13.760 -6.893 -5.547 1.00 0.14 C HETATM 1450 O3 GNX A 108 -14.984 -7.498 -5.986 1.00 -0.26 O HETATM 1451 S12 GNX A 108 -15.051 -8.961 -6.438 1.00 -0.07 S HETATM 1452 O12 GNX A 108 -16.490 -9.293 -6.439 1.00 -0.46 O HETATM 1453 O22 GNX A 108 -14.467 -9.048 -7.787 1.00 -0.46 O HETATM 1454 O32 GNX A 108 -14.302 -9.778 -5.476 1.00 -0.46 O HETATM 1455 H GNX A 108 -12.968 -7.655 -5.504 1.00 0.07 H HETATM 1456 O4 GNX A 108 -12.960 -6.395 -7.784 1.00 -0.39 O HETATM 1457 H GNX A 108 -13.685 -6.894 -8.141 1.00 0.21 H HETATM 1458 H GNX A 108 -14.225 -5.143 -6.715 1.00 0.06 H HETATM 1459 C6 GNX A 108 -11.852 -3.802 -6.937 1.00 0.07 C HETATM 1460 O6 GNX A 108 -12.951 -2.888 -6.975 1.00 -0.39 O HETATM 1461 H GNX A 108 -13.116 -2.556 -6.100 1.00 0.21 H HETATM 1462 H GNX A 108 -11.659 -4.190 -7.948 1.00 0.06 H HETATM 1463 H GNX A 108 -10.955 -3.286 -6.565 1.00 0.06 H HETATM 1464 H GNX A 108 -11.322 -5.606 -5.896 1.00 0.06 H HETATM 1465 O4 GNX A 108 -11.561 -6.256 -3.640 1.00 -0.34 O HETATM 1466 C4 GNX A 108 -10.621 -5.790 -2.659 1.00 0.13 C HETATM 1467 C3 GNX A 108 -10.859 -6.573 -1.370 1.00 0.12 C HETATM 1468 C2 GNX A 108 -10.319 -7.998 -1.442 1.00 0.16 C HETATM 1469 C1 GNX A 108 -8.915 -8.089 -2.031 1.00 0.19 C HETATM 1470 O1 GNX A 108 -7.938 -7.604 -1.116 1.00 -0.35 O HETATM 1471 C7 GNX A 108 -6.541 -7.728 -1.477 1.00 0.04 C HETATM 1472 H GNX A 108 -5.916 -7.311 -0.673 1.00 0.05 H HETATM 1473 H GNX A 108 -6.353 -7.178 -2.411 1.00 0.05 H HETATM 1474 H GNX A 108 -6.292 -8.790 -1.621 1.00 0.05 H HETATM 1475 O5 GNX A 108 -8.867 -7.367 -3.260 1.00 -0.33 O HETATM 1476 C5 GNX A 108 -9.189 -5.983 -3.152 1.00 0.14 C HETATM 1477 C6 GNX A 108 -9.025 -5.428 -4.536 1.00 0.07 C HETATM 1478 O61 GNX A 108 -9.005 -4.185 -4.668 1.00 -0.57 O HETATM 1479 O62 GNX A 108 -8.908 -6.231 -5.493 1.00 -0.57 O HETATM 1480 H GNX A 108 -8.497 -5.485 -2.457 1.00 0.08 H HETATM 1481 H GNX A 108 -8.694 -9.146 -2.239 1.00 0.09 H HETATM 1482 O2 GNX A 108 -11.200 -8.788 -2.247 1.00 -0.25 O HETATM 1483 S GNX A 108 -11.480 -10.256 -1.897 1.00 -0.07 S HETATM 1484 OS1 GNX A 108 -12.332 -10.762 -2.976 1.00 -0.46 O HETATM 1485 OS2 GNX A 108 -12.122 -10.294 -0.569 1.00 -0.46 O HETATM 1486 OS3 GNX A 108 -10.194 -10.972 -1.857 1.00 -0.46 O HETATM 1487 H GNX A 108 -10.293 -8.408 -0.422 1.00 0.07 H HETATM 1488 O3 GNX A 108 -10.247 -5.901 -0.260 1.00 -0.39 O HETATM 1489 H GNX A 108 -10.454 -6.365 0.543 1.00 0.21 H HETATM 1490 H GNX A 108 -11.944 -6.623 -1.198 1.00 0.07 H HETATM 1491 H GNX A 108 -10.790 -4.719 -2.471 1.00 0.07 H HETATM 1492 H GNX A 108 -12.939 -4.997 -2.759 1.00 0.09 H HETATM 1493 H GNX A 108 -14.859 -5.655 -4.155 1.00 0.06 H HETATM 1494 H GNX A 108 -13.625 -8.244 -3.313 1.00 0.16 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 1439 1440 1444 1494 CONECT 1440 1439 1441 1442 1443 CONECT 1441 1440 CONECT 1442 1440 CONECT 1443 1440 CONECT 1444 1439 1445 1449 1493 CONECT 1445 1444 1446 1465 1492 CONECT 1446 1445 1447 CONECT 1447 1446 1448 1459 1464 CONECT 1448 1447 1449 1456 1458 CONECT 1449 1444 1448 1450 1455 CONECT 1450 1449 1451 CONECT 1451 1450 1452 1453 1454 CONECT 1452 1451 CONECT 1453 1451 CONECT 1454 1451 CONECT 1455 1449 CONECT 1456 1448 1457 CONECT 1457 1456 CONECT 1458 1448 CONECT 1459 1447 1460 1462 1463 CONECT 1460 1459 1461 CONECT 1461 1460 CONECT 1462 1459 CONECT 1463 1459 CONECT 1464 1447 CONECT 1465 1445 1466 CONECT 1466 1465 1467 1476 1491 CONECT 1467 1466 1468 1488 1490 CONECT 1468 1467 1469 1482 1487 CONECT 1469 1468 1470 1475 1481 CONECT 1470 1469 1471 CONECT 1471 1470 1472 1473 1474 CONECT 1472 1471 CONECT 1473 1471 CONECT 1474 1471 CONECT 1475 1469 1476 CONECT 1476 1466 1475 1477 1480 CONECT 1477 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1476 CONECT 1481 1469 CONECT 1482 1468 1483 CONECT 1483 1482 1484 1485 1486 CONECT 1484 1483 CONECT 1485 1483 CONECT 1486 1483 CONECT 1487 1468 CONECT 1488 1467 1489 CONECT 1489 1488 CONECT 1490 1467 CONECT 1491 1466 CONECT 1492 1445 CONECT 1493 1444 CONECT 1494 1439 MASTER 0 0 0 0 0 0 0 0 1493 1 60 11 END
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Structure:
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Protein
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Related entries of code: 4oee
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4oef
RCSB PDB
PDBbind
155aa, >4OEF_1|Chain... at 100%
4oeg
RCSB PDB
PDBbind
155aa, >4OEG_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
3ud8
RCSB PDB
PDBbind
GNX-IDY
Entry Information
PDB ID
4oee
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Fibroblast growth factor 2 FGF2
Ligand Name
GNX-IDY
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=1.73uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acs Chem.Biol. Vol. 9: pp. 1712-1717
Ligand Properties
Formula
C
1
3
H
2
9
NO
2
0
S
3
Molecular Weight
615.559
Exact Mass
615.045
No. of atoms
66
No. of bonds
67
Polar Surface Area
423.37
LOGP Value
-4.25 (
Computed with XLOGP3
)
-1.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 10
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H](O[C@@H]2[C@@H](O[C@H]([C@@H]([C@H]2O)OS(O)(O)O)OC)C(=O)O)[C@@H]([C@H]([C@@H]1O)OS(O)(O)O)NS(O)(O)O
InChI String
InChI=1S/C13H29NO20S3/c1-29-13-9(34-37(26,27)28)6(17)8(10(32-13)11(18)19)31-12-4(14-35(20,21)22)7(33-36(23,24)25)5(16)3(2-15)30-12/h3-10,12-17,20-28H,2H2,1H3,(H,18,19)/t3-,4-,5-,6+,7-,8+,9-,10-,12-,13-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P09038
Entrez Gene ID
NCBI Entrez Gene ID:
2247
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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