Browse entries in the PDBbind-CN Database
HEADER 4XC2_COMPLEX COMPND 4XC2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 116 MET GLY PHE VAL TYR LYS GLU GLU HIS PRO PHE GLU LYS SEQRES 2 A 116 ARG ARG SER GLU GLY GLU LYS ILE ARG LYS LYS TYR PRO SEQRES 3 A 116 ASP ARG VAL PRO VAL ILE VAL GLU LYS ALA PRO LYS ALA SEQRES 4 A 116 ARG ILE GLY ASP LEU ASP LYS LYS LYS TYR LEU VAL PRO SEQRES 5 A 116 SER ASP LEU THR VAL GLY GLN PHE TYR PHE LEU ILE ARG SEQRES 6 A 116 LYS ARG ILE HIS LEU ARG ALA GLU ASP ALA LEU PHE PHE SEQRES 7 A 116 PHE VAL ASN ASN VAL ILE PRO PRO THR SER ALA THR MET SEQRES 8 A 116 GLY GLN LEU TYR GLN GLU HIS HIS GLU GLU ASP PHE PHE SEQRES 9 A 116 LEU TYR ILE ALA TYR SER ASP GLU SER VAL TYR GLY HET SER A 161 174 ATOM 1 N MET A 1 14.821 22.329 9.159 1.00 69.11 N ATOM 2 CA MET A 1 14.691 22.979 10.502 1.00 67.63 C ATOM 3 C MET A 1 14.840 21.933 11.603 1.00 71.37 C ATOM 4 O MET A 1 13.874 21.579 12.278 1.00 75.32 O ATOM 5 CB MET A 1 13.343 23.698 10.621 1.00 64.24 C ATOM 6 CG MET A 1 12.277 23.180 9.666 1.00 66.30 C ATOM 7 SD MET A 1 12.706 23.427 7.930 1.00 69.26 S ATOM 8 CE MET A 1 12.651 25.215 7.780 1.00 59.15 C ATOM 9 HN3 MET A 1 14.079 21.608 9.051 1.00 0.00 H ATOM 10 HN2 MET A 1 15.756 21.880 9.082 1.00 0.00 H ATOM 11 HN1 MET A 1 14.718 23.049 8.415 1.00 0.00 H ATOM 12 N GLY A 2 16.059 21.429 11.758 1.00 68.63 N ATOM 13 CA GLY A 2 16.336 20.342 12.684 1.00 65.18 C ATOM 14 C GLY A 2 16.365 18.994 11.990 1.00 65.51 C ATOM 15 O GLY A 2 16.019 17.984 12.594 1.00 52.75 O ATOM 16 H GLY A 2 16.841 21.825 11.199 1.00 0.00 H ATOM 17 N PHE A 3 16.754 18.978 10.713 1.00 56.50 N ATOM 18 CA PHE A 3 16.995 17.722 10.000 1.00 45.61 C ATOM 19 C PHE A 3 18.492 17.461 9.889 1.00 40.13 C ATOM 20 O PHE A 3 19.222 18.240 9.278 1.00 41.83 O ATOM 21 CB PHE A 3 16.348 17.730 8.604 1.00 40.40 C ATOM 22 CG PHE A 3 14.886 17.355 8.615 1.00 38.71 C ATOM 23 CD1 PHE A 3 13.914 18.313 8.870 1.00 38.78 C ATOM 24 CD2 PHE A 3 14.491 16.038 8.434 1.00 37.27 C ATOM 25 CE1 PHE A 3 12.579 17.967 8.959 1.00 38.07 C ATOM 26 CE2 PHE A 3 13.160 15.682 8.506 1.00 33.92 C ATOM 27 CZ PHE A 3 12.198 16.648 8.760 1.00 39.36 C ATOM 28 H PHE A 3 16.889 19.880 10.212 1.00 0.00 H ATOM 29 N VAL A 4 18.930 16.364 10.499 1.00 37.98 N ATOM 30 CA VAL A 4 20.322 15.920 10.425 1.00 40.40 C ATOM 31 C VAL A 4 20.806 15.769 8.986 1.00 42.77 C ATOM 32 O VAL A 4 21.984 15.994 8.673 1.00 37.10 O ATOM 33 CB VAL A 4 20.497 14.573 11.149 1.00 42.68 C ATOM 34 CG1 VAL A 4 21.796 13.887 10.739 1.00 41.89 C ATOM 35 CG2 VAL A 4 20.439 14.767 12.655 1.00 44.35 C ATOM 36 H VAL A 4 18.255 15.798 11.052 1.00 0.00 H ATOM 37 N TYR A 5 19.915 15.323 8.114 1.00 40.10 N ATOM 38 CA TYR A 5 20.301 15.040 6.738 1.00 38.26 C ATOM 39 C TYR A 5 20.759 16.314 6.052 1.00 40.45 C ATOM 40 O TYR A 5 21.595 16.272 5.145 1.00 47.07 O ATOM 41 CB TYR A 5 19.134 14.407 5.980 1.00 31.17 C ATOM 42 CG TYR A 5 19.390 14.137 4.514 1.00 35.94 C ATOM 43 CD1 TYR A 5 19.967 12.934 4.083 1.00 30.42 C ATOM 44 CD2 TYR A 5 19.044 15.077 3.550 1.00 32.95 C ATOM 45 CE1 TYR A 5 20.149 12.674 2.729 1.00 28.64 C ATOM 46 CE2 TYR A 5 19.246 14.834 2.205 1.00 30.82 C ATOM 47 CZ TYR A 5 19.788 13.632 1.795 1.00 30.17 C ATOM 48 OH TYR A 5 19.947 13.403 0.443 1.00 33.71 O ATOM 49 HH TYR A 5 20.344 12.506 0.306 1.00 0.00 H ATOM 50 H TYR A 5 18.931 15.173 8.414 1.00 0.00 H ATOM 51 N LYS A 6 20.147 17.435 6.428 1.00 40.47 N ATOM 52 CA LYS A 6 20.575 18.739 5.941 1.00 41.28 C ATOM 53 C LYS A 6 21.944 19.130 6.489 1.00 47.26 C ATOM 54 O LYS A 6 22.720 19.817 5.823 1.00 48.23 O ATOM 55 CB LYS A 6 19.562 19.807 6.332 1.00 46.59 C ATOM 56 CG LYS A 6 18.239 19.691 5.599 1.00 44.41 C ATOM 57 CD LYS A 6 17.529 21.031 5.532 1.00 50.32 C ATOM 58 CE LYS A 6 16.075 20.904 5.943 1.00 52.53 C ATOM 59 NZ LYS A 6 15.415 22.239 5.977 1.00 55.37 N ATOM 60 HZ1 LYS A 6 15.905 22.849 6.662 1.00 0.00 H ATOM 61 HZ2 LYS A 6 15.460 22.671 5.032 1.00 0.00 H ATOM 62 HZ3 LYS A 6 14.421 22.126 6.261 1.00 0.00 H ATOM 63 H LYS A 6 19.343 17.378 7.086 1.00 0.00 H ATOM 64 N GLU A 7 22.218 18.746 7.727 1.00 45.82 N ATOM 65 CA GLU A 7 23.499 19.067 8.318 1.00 55.13 C ATOM 66 C GLU A 7 24.577 18.359 7.515 1.00 54.92 C ATOM 67 O GLU A 7 25.510 18.994 7.032 1.00 51.47 O ATOM 68 CB GLU A 7 23.541 18.672 9.798 1.00 57.27 C ATOM 69 CG GLU A 7 22.826 19.663 10.713 1.00 59.88 C ATOM 70 CD GLU A 7 22.212 19.005 11.941 1.00 68.15 C ATOM 71 OE1 GLU A 7 22.887 18.165 12.575 1.00 67.19 O ATOM 72 OE2 GLU A 7 21.054 19.338 12.283 1.00 70.49 O ATOM 73 H GLU A 7 21.512 18.214 8.274 1.00 0.00 H ATOM 74 N GLU A 8 24.351 17.079 7.239 1.00 52.77 N ATOM 75 CA GLU A 8 25.400 16.202 6.735 1.00 47.55 C ATOM 76 C GLU A 8 25.599 16.345 5.234 1.00 48.24 C ATOM 77 O GLU A 8 26.643 15.990 4.704 1.00 62.89 O ATOM 78 CB GLU A 8 25.073 14.752 7.077 1.00 49.40 C ATOM 79 CG GLU A 8 24.933 14.500 8.571 1.00 49.41 C ATOM 80 CD GLU A 8 24.791 13.031 8.900 1.00 50.72 C ATOM 81 OE1 GLU A 8 24.380 12.258 8.016 1.00 51.15 O ATOM 82 OE2 GLU A 8 25.089 12.645 10.047 1.00 61.36 O ATOM 83 H GLU A 8 23.397 16.692 7.387 1.00 0.00 H ATOM 84 N HIS A 9 24.590 16.854 4.545 1.00 53.06 N ATOM 85 CA HIS A 9 24.606 16.892 3.089 1.00 46.10 C ATOM 86 C HIS A 9 24.386 18.322 2.606 1.00 46.15 C ATOM 87 O HIS A 9 23.267 18.840 2.658 1.00 41.28 O ATOM 88 CB HIS A 9 23.524 15.963 2.519 1.00 47.47 C ATOM 89 CG HIS A 9 23.706 14.525 2.895 1.00 46.43 C ATOM 90 ND1 HIS A 9 24.301 13.610 2.055 1.00 43.78 N ATOM 91 CD2 HIS A 9 23.418 13.856 4.037 1.00 39.42 C ATOM 92 CE1 HIS A 9 24.357 12.436 2.657 1.00 39.63 C ATOM 93 NE2 HIS A 9 23.860 12.567 3.874 1.00 40.26 N ATOM 94 H HIS A 9 23.767 17.235 5.055 1.00 0.00 H ATOM 95 N PRO A 10 25.457 18.975 2.129 1.00 46.10 N ATOM 96 CA PRO A 10 25.319 20.374 1.739 1.00 41.16 C ATOM 97 C PRO A 10 24.265 20.608 0.657 1.00 44.00 C ATOM 98 O PRO A 10 23.936 19.707 -0.117 1.00 46.98 O ATOM 99 CB PRO A 10 26.720 20.745 1.225 1.00 45.57 C ATOM 100 CG PRO A 10 27.398 19.450 0.921 1.00 47.72 C ATOM 101 CD PRO A 10 26.806 18.444 1.866 1.00 46.16 C ATOM 102 N PHE A 11 23.798 21.847 0.570 1.00 42.03 N ATOM 103 CA PHE A 11 22.580 22.175 -0.147 1.00 41.39 C ATOM 104 C PHE A 11 22.682 21.886 -1.640 1.00 45.57 C ATOM 105 O PHE A 11 21.717 21.425 -2.260 1.00 36.89 O ATOM 106 CB PHE A 11 22.233 23.655 0.064 1.00 41.29 C ATOM 107 CG PHE A 11 21.156 24.149 -0.845 1.00 37.62 C ATOM 108 CD1 PHE A 11 19.829 24.065 -0.467 1.00 43.76 C ATOM 109 CD2 PHE A 11 21.459 24.626 -2.107 1.00 35.84 C ATOM 110 CE1 PHE A 11 18.822 24.463 -1.331 1.00 41.39 C ATOM 111 CE2 PHE A 11 20.460 25.050 -2.967 1.00 41.47 C ATOM 112 CZ PHE A 11 19.139 24.969 -2.579 1.00 43.05 C ATOM 113 H PHE A 11 24.326 22.613 1.034 1.00 0.00 H ATOM 114 N GLU A 12 23.839 22.171 -2.228 1.00 35.97 N ATOM 115 CA GLU A 12 23.986 22.053 -3.672 1.00 43.17 C ATOM 116 C GLU A 12 23.970 20.599 -4.156 1.00 39.66 C ATOM 117 O GLU A 12 23.441 20.296 -5.227 1.00 43.29 O ATOM 118 CB GLU A 12 25.254 22.770 -4.135 1.00 48.13 C ATOM 119 CG GLU A 12 25.121 24.284 -4.154 1.00 56.36 C ATOM 120 CD GLU A 12 23.951 24.757 -4.997 1.00 65.40 C ATOM 121 OE1 GLU A 12 23.489 23.993 -5.872 1.00 71.83 O ATOM 122 OE2 GLU A 12 23.480 25.891 -4.780 1.00 76.67 O ATOM 123 H GLU A 12 24.647 22.481 -1.652 1.00 0.00 H ATOM 124 N LYS A 13 24.508 19.699 -3.347 1.00 39.95 N ATOM 125 CA LYS A 13 24.470 18.270 -3.650 1.00 46.29 C ATOM 126 C LYS A 13 23.048 17.726 -3.500 1.00 42.09 C ATOM 127 O LYS A 13 22.545 16.984 -4.352 1.00 38.38 O ATOM 128 CB LYS A 13 25.409 17.522 -2.703 1.00 53.64 C ATOM 129 CG LYS A 13 26.878 17.836 -2.919 1.00 61.79 C ATOM 130 CD LYS A 13 27.395 17.213 -4.208 1.00 70.68 C ATOM 131 CE LYS A 13 28.915 17.258 -4.279 1.00 80.16 C ATOM 132 NZ LYS A 13 29.455 16.247 -5.229 1.00 82.57 N ATOM 133 HZ1 LYS A 13 29.170 15.296 -4.920 1.00 0.00 H ATOM 134 HZ2 LYS A 13 29.078 16.431 -6.181 1.00 0.00 H ATOM 135 HZ3 LYS A 13 30.493 16.311 -5.248 1.00 0.00 H ATOM 136 H LYS A 13 24.970 20.018 -2.472 1.00 0.00 H ATOM 137 N ARG A 14 22.419 18.075 -2.389 1.00 44.30 N ATOM 138 CA ARG A 14 21.016 17.789 -2.193 1.00 39.71 C ATOM 139 C ARG A 14 20.218 18.194 -3.405 1.00 39.98 C ATOM 140 O ARG A 14 19.517 17.358 -3.987 1.00 37.65 O ATOM 141 CB ARG A 14 20.484 18.484 -0.940 1.00 40.13 C ATOM 142 CG ARG A 14 21.024 17.882 0.347 1.00 40.09 C ATOM 143 CD ARG A 14 20.159 18.226 1.546 1.00 44.17 C ATOM 144 NE ARG A 14 19.668 19.606 1.508 1.00 45.21 N ATOM 145 CZ ARG A 14 20.113 20.583 2.291 1.00 41.02 C ATOM 146 NH1 ARG A 14 21.045 20.345 3.203 1.00 47.54 N ATOM 147 NH2 ARG A 14 19.593 21.790 2.199 1.00 42.65 N ATOM 148 HE ARG A 14 18.921 19.836 0.822 1.00 0.00 H ATOM 149 HH12 ARG A 14 21.387 21.117 3.811 1.00 0.00 H ATOM 150 HH11 ARG A 14 21.435 19.387 3.311 1.00 0.00 H ATOM 151 HH22 ARG A 14 19.942 22.554 2.812 1.00 0.00 H ATOM 152 HH21 ARG A 14 18.834 21.978 1.513 1.00 0.00 H ATOM 153 H ARG A 14 22.947 18.566 -1.640 1.00 0.00 H ATOM 154 N ARG A 15 20.317 19.463 -3.797 1.00 33.49 N ATOM 155 CA ARG A 15 19.467 19.987 -4.867 1.00 41.81 C ATOM 156 C ARG A 15 19.756 19.226 -6.163 1.00 40.78 C ATOM 157 O ARG A 15 18.850 18.872 -6.924 1.00 30.77 O ATOM 158 CB ARG A 15 19.697 21.500 -5.071 1.00 44.55 C ATOM 159 CG ARG A 15 18.767 22.126 -6.117 1.00 53.84 C ATOM 160 CD ARG A 15 19.430 23.237 -6.919 1.00 59.95 C ATOM 161 NE ARG A 15 20.868 23.014 -7.059 1.00 75.48 N ATOM 162 CZ ARG A 15 21.432 22.222 -7.970 1.00 71.33 C ATOM 163 NH1 ARG A 15 20.687 21.615 -8.890 1.00 71.95 N ATOM 164 NH2 ARG A 15 22.748 22.029 -7.956 1.00 56.93 N ATOM 165 HE ARG A 15 21.498 23.511 -6.398 1.00 0.00 H ATOM 166 HH12 ARG A 15 21.135 20.998 -9.598 1.00 0.00 H ATOM 167 HH11 ARG A 15 19.657 21.757 -8.902 1.00 0.00 H ATOM 168 HH22 ARG A 15 23.191 21.411 -8.666 1.00 0.00 H ATOM 169 HH21 ARG A 15 23.334 22.496 -7.235 1.00 0.00 H ATOM 170 H ARG A 15 21.007 20.090 -3.337 1.00 0.00 H ATOM 171 N SER A 16 21.039 19.037 -6.431 1.00 37.30 N ATOM 172 CA SER A 16 21.498 18.229 -7.557 1.00 42.95 C ATOM 173 C SER A 16 20.835 16.842 -7.587 1.00 38.30 C ATOM 174 O SER A 16 20.256 16.433 -8.597 1.00 42.78 O ATOM 175 CB SER A 16 23.026 18.075 -7.475 1.00 38.58 C ATOM 176 OG SER A 16 23.493 17.265 -8.534 1.00 49.89 O ATOM 177 HG SER A 16 24.477 17.174 -8.469 1.00 0.00 H ATOM 178 H SER A 16 21.748 19.482 -5.814 1.00 0.00 H ATOM 179 N GLU A 17 20.904 16.125 -6.476 1.00 34.33 N ATOM 180 CA GLU A 17 20.299 14.792 -6.405 1.00 40.05 C ATOM 181 C GLU A 17 18.767 14.837 -6.554 1.00 35.50 C ATOM 182 O GLU A 17 18.151 13.924 -7.129 1.00 35.65 O ATOM 183 CB GLU A 17 20.675 14.090 -5.091 1.00 38.03 C ATOM 184 CG GLU A 17 20.921 12.591 -5.258 1.00 41.63 C ATOM 185 CD GLU A 17 20.653 11.775 -4.004 1.00 40.36 C ATOM 186 OE1 GLU A 17 20.829 12.301 -2.881 1.00 38.09 O ATOM 187 OE2 GLU A 17 20.309 10.576 -4.151 1.00 43.01 O ATOM 188 H GLU A 17 21.393 16.512 -5.644 1.00 0.00 H ATOM 189 N GLY A 18 18.145 15.877 -6.003 1.00 33.89 N ATOM 190 CA GLY A 18 16.679 15.980 -6.027 1.00 27.47 C ATOM 191 C GLY A 18 16.233 16.229 -7.448 1.00 28.39 C ATOM 192 O GLY A 18 15.214 15.708 -7.911 1.00 34.57 O ATOM 193 H GLY A 18 18.704 16.627 -5.549 1.00 0.00 H ATOM 194 N GLU A 19 16.952 17.116 -8.116 1.00 30.58 N ATOM 195 CA GLU A 19 16.654 17.426 -9.499 1.00 38.71 C ATOM 196 C GLU A 19 16.752 16.175 -10.357 1.00 32.78 C ATOM 197 O GLU A 19 15.899 15.924 -11.200 1.00 36.09 O ATOM 198 CB GLU A 19 17.648 18.462 -10.010 1.00 37.46 C ATOM 199 CG GLU A 19 17.060 19.408 -11.021 1.00 46.70 C ATOM 200 CD GLU A 19 17.969 20.587 -11.271 1.00 49.06 C ATOM 201 OE1 GLU A 19 18.363 21.268 -10.287 1.00 42.84 O ATOM 202 OE2 GLU A 19 18.297 20.808 -12.451 1.00 47.83 O ATOM 203 H GLU A 19 17.742 17.597 -7.641 1.00 0.00 H ATOM 204 N LYS A 20 17.862 15.457 -10.206 1.00 34.06 N ATOM 205 CA LYS A 20 18.138 14.287 -11.015 1.00 32.73 C ATOM 206 C LYS A 20 17.089 13.220 -10.775 1.00 30.14 C ATOM 207 O LYS A 20 16.591 12.616 -11.719 1.00 28.45 O ATOM 208 CB LYS A 20 19.522 13.729 -10.680 1.00 42.21 C ATOM 209 CG LYS A 20 20.671 14.459 -11.358 1.00 45.76 C ATOM 210 CD LYS A 20 22.013 14.088 -10.742 1.00 55.11 C ATOM 211 CE LYS A 20 23.145 14.955 -11.286 1.00 61.47 C ATOM 212 NZ LYS A 20 24.411 14.816 -10.504 1.00 56.64 N ATOM 213 HZ1 LYS A 20 24.241 15.098 -9.518 1.00 0.00 H ATOM 214 HZ2 LYS A 20 24.728 13.826 -10.532 1.00 0.00 H ATOM 215 HZ3 LYS A 20 25.143 15.427 -10.920 1.00 0.00 H ATOM 216 H LYS A 20 18.553 15.745 -9.484 1.00 0.00 H ATOM 217 N ILE A 21 16.753 12.990 -9.506 1.00 28.56 N ATOM 218 CA ILE A 21 15.868 11.877 -9.155 1.00 30.02 C ATOM 219 C ILE A 21 14.414 12.152 -9.587 1.00 27.91 C ATOM 220 O ILE A 21 13.692 11.231 -9.972 1.00 27.86 O ATOM 221 CB ILE A 21 15.950 11.531 -7.654 1.00 29.98 C ATOM 222 CG1 ILE A 21 15.574 10.066 -7.420 1.00 33.06 C ATOM 223 CG2 ILE A 21 15.057 12.434 -6.828 1.00 32.69 C ATOM 224 CD1 ILE A 21 16.296 9.456 -6.238 1.00 32.66 C ATOM 225 H ILE A 21 17.124 13.608 -8.756 1.00 0.00 H ATOM 226 N ARG A 22 14.032 13.430 -9.629 1.00 33.60 N ATOM 227 CA ARG A 22 12.690 13.820 -10.108 1.00 29.27 C ATOM 228 C ARG A 22 12.599 13.733 -11.618 1.00 30.06 C ATOM 229 O ARG A 22 11.530 13.410 -12.172 1.00 35.05 O ATOM 230 CB ARG A 22 12.343 15.252 -9.663 1.00 29.86 C ATOM 231 CG ARG A 22 11.958 15.367 -8.199 1.00 28.14 C ATOM 232 CD ARG A 22 10.506 14.951 -8.011 1.00 28.53 C ATOM 233 NE ARG A 22 9.609 15.817 -8.754 1.00 28.02 N ATOM 234 CZ ARG A 22 8.411 15.455 -9.196 1.00 30.93 C ATOM 235 NH1 ARG A 22 7.975 14.207 -9.044 1.00 30.03 N ATOM 236 NH2 ARG A 22 7.662 16.342 -9.831 1.00 38.08 N ATOM 237 HE ARG A 22 9.927 16.787 -8.954 1.00 0.00 H ATOM 238 HH12 ARG A 22 7.034 13.939 -9.396 1.00 0.00 H ATOM 239 HH11 ARG A 22 8.575 13.500 -8.573 1.00 0.00 H ATOM 240 HH22 ARG A 22 6.721 16.072 -10.183 1.00 0.00 H ATOM 241 HH21 ARG A 22 8.014 17.309 -9.979 1.00 0.00 H ATOM 242 H ARG A 22 14.694 14.169 -9.317 1.00 0.00 H ATOM 243 N LYS A 23 13.693 14.079 -12.293 1.00 36.98 N ATOM 244 CA LYS A 23 13.783 13.854 -13.735 1.00 40.17 C ATOM 245 C LYS A 23 13.665 12.372 -14.053 1.00 34.60 C ATOM 246 O LYS A 23 13.029 11.987 -15.025 1.00 31.23 O ATOM 247 CB LYS A 23 15.098 14.381 -14.296 1.00 42.90 C ATOM 248 CG LYS A 23 15.010 15.807 -14.811 1.00 51.88 C ATOM 249 CD LYS A 23 16.361 16.315 -15.300 1.00 59.89 C ATOM 250 CE LYS A 23 16.612 17.756 -14.876 1.00 63.69 C ATOM 251 NZ LYS A 23 17.416 18.490 -15.893 1.00 64.30 N ATOM 252 HZ1 LYS A 23 18.334 18.017 -16.015 1.00 0.00 H ATOM 253 HZ2 LYS A 23 16.905 18.496 -16.799 1.00 0.00 H ATOM 254 HZ3 LYS A 23 17.568 19.468 -15.573 1.00 0.00 H ATOM 255 H LYS A 23 14.492 14.514 -11.789 1.00 0.00 H ATOM 256 N LYS A 24 14.384 11.548 -13.303 1.00 38.42 N ATOM 257 CA LYS A 24 14.464 10.140 -13.630 1.00 32.59 C ATOM 258 C LYS A 24 13.162 9.428 -13.259 1.00 33.21 C ATOM 259 O LYS A 24 12.705 8.538 -13.968 1.00 29.96 O ATOM 260 CB LYS A 24 15.643 9.516 -12.915 1.00 35.49 C ATOM 261 CG LYS A 24 15.869 8.068 -13.288 1.00 40.08 C ATOM 262 CD LYS A 24 17.137 7.542 -12.655 1.00 42.67 C ATOM 263 CE LYS A 24 17.238 6.044 -12.814 1.00 46.77 C ATOM 264 NZ LYS A 24 18.303 5.519 -11.929 1.00 52.46 N ATOM 265 HZ1 LYS A 24 19.211 5.956 -12.185 1.00 0.00 H ATOM 266 HZ2 LYS A 24 18.074 5.747 -10.940 1.00 0.00 H ATOM 267 HZ3 LYS A 24 18.369 4.487 -12.042 1.00 0.00 H ATOM 268 H LYS A 24 14.894 11.916 -12.474 1.00 0.00 H ATOM 269 N TYR A 25 12.520 9.877 -12.187 1.00 32.26 N ATOM 270 CA TYR A 25 11.353 9.185 -11.664 1.00 28.01 C ATOM 271 C TYR A 25 10.202 10.185 -11.447 1.00 30.11 C ATOM 272 O TYR A 25 9.806 10.479 -10.300 1.00 26.76 O ATOM 273 CB TYR A 25 11.720 8.526 -10.333 1.00 27.47 C ATOM 274 CG TYR A 25 12.633 7.313 -10.438 1.00 27.78 C ATOM 275 CD1 TYR A 25 12.139 6.090 -10.889 1.00 32.19 C ATOM 276 CD2 TYR A 25 13.914 7.345 -9.929 1.00 27.01 C ATOM 277 CE1 TYR A 25 12.926 4.959 -10.885 1.00 31.69 C ATOM 278 CE2 TYR A 25 14.715 6.224 -9.935 1.00 29.97 C ATOM 279 CZ TYR A 25 14.214 5.028 -10.410 1.00 34.30 C ATOM 280 OH TYR A 25 15.005 3.890 -10.424 1.00 33.29 O ATOM 281 HH TYR A 25 14.486 3.133 -10.795 1.00 0.00 H ATOM 282 H TYR A 25 12.858 10.739 -11.713 1.00 0.00 H ATOM 283 N PRO A 26 9.675 10.736 -12.542 1.00 30.80 N ATOM 284 CA PRO A 26 8.651 11.778 -12.411 1.00 29.43 C ATOM 285 C PRO A 26 7.306 11.292 -11.880 1.00 32.12 C ATOM 286 O PRO A 26 6.452 12.127 -11.580 1.00 34.96 O ATOM 287 CB PRO A 26 8.501 12.305 -13.852 1.00 29.62 C ATOM 288 CG PRO A 26 8.915 11.171 -14.712 1.00 33.25 C ATOM 289 CD PRO A 26 10.027 10.488 -13.953 1.00 32.08 C ATOM 290 N ASP A 27 7.072 9.985 -11.798 1.00 31.01 N ATOM 291 CA ASP A 27 5.844 9.515 -11.144 1.00 31.48 C ATOM 292 C ASP A 27 6.080 9.168 -9.674 1.00 32.59 C ATOM 293 O ASP A 27 5.202 8.585 -9.031 1.00 27.58 O ATOM 294 CB ASP A 27 5.235 8.310 -11.858 1.00 34.92 C ATOM 295 CG ASP A 27 4.545 8.688 -13.158 1.00 38.07 C ATOM 296 OD1 ASP A 27 3.827 9.706 -13.194 1.00 42.57 O ATOM 297 OD2 ASP A 27 4.745 7.979 -14.159 1.00 39.68 O ATOM 298 H ASP A 27 7.751 9.304 -12.193 1.00 0.00 H ATOM 299 N ARG A 28 7.242 9.562 -9.148 1.00 27.59 N ATOM 300 CA ARG A 28 7.595 9.313 -7.752 1.00 28.22 C ATOM 301 C ARG A 28 8.085 10.603 -7.098 1.00 28.16 C ATOM 302 O ARG A 28 8.726 11.439 -7.754 1.00 32.24 O ATOM 303 CB ARG A 28 8.700 8.258 -7.673 1.00 30.84 C ATOM 304 CG ARG A 28 8.210 6.817 -7.673 1.00 32.25 C ATOM 305 CD ARG A 28 9.368 5.837 -7.804 1.00 36.80 C ATOM 306 NE ARG A 28 8.912 4.471 -8.049 1.00 39.39 N ATOM 307 CZ ARG A 28 8.633 3.583 -7.095 1.00 43.64 C ATOM 308 NH1 ARG A 28 8.826 3.883 -5.808 1.00 35.55 N ATOM 309 NH2 ARG A 28 8.196 2.371 -7.433 1.00 36.67 N ATOM 310 HE ARG A 28 8.797 4.170 -9.038 1.00 0.00 H ATOM 311 HH12 ARG A 28 8.605 3.182 -5.072 1.00 0.00 H ATOM 312 HH11 ARG A 28 9.197 4.817 -5.542 1.00 0.00 H ATOM 313 HH22 ARG A 28 7.976 1.673 -6.694 1.00 0.00 H ATOM 314 HH21 ARG A 28 8.075 2.123 -8.436 1.00 0.00 H ATOM 315 H ARG A 28 7.921 10.065 -9.754 1.00 0.00 H ATOM 316 N VAL A 29 7.933 10.695 -5.777 1.00 25.81 N ATOM 317 CA VAL A 29 8.557 11.797 -5.031 1.00 23.93 C ATOM 318 C VAL A 29 9.548 11.383 -3.952 1.00 24.92 C ATOM 319 O VAL A 29 9.307 10.468 -3.159 1.00 21.44 O ATOM 320 CB VAL A 29 7.513 12.724 -4.390 1.00 23.94 C ATOM 321 CG1 VAL A 29 6.606 13.279 -5.476 1.00 21.66 C ATOM 322 CG2 VAL A 29 6.731 11.994 -3.297 1.00 23.73 C ATOM 323 H VAL A 29 7.369 9.982 -5.271 1.00 0.00 H ATOM 324 N PRO A 30 10.635 12.147 -3.859 1.00 19.84 N ATOM 325 CA PRO A 30 11.668 11.898 -2.900 1.00 20.50 C ATOM 326 C PRO A 30 11.393 12.510 -1.521 1.00 17.99 C ATOM 327 O PRO A 30 11.201 13.714 -1.386 1.00 19.48 O ATOM 328 CB PRO A 30 12.895 12.549 -3.549 1.00 19.33 C ATOM 329 CG PRO A 30 12.359 13.668 -4.380 1.00 18.69 C ATOM 330 CD PRO A 30 10.965 13.245 -4.793 1.00 19.67 C ATOM 331 N VAL A 31 11.400 11.670 -0.505 1.00 18.52 N ATOM 332 CA VAL A 31 11.055 12.078 0.834 1.00 19.58 C ATOM 333 C VAL A 31 12.155 11.699 1.827 1.00 26.20 C ATOM 334 O VAL A 31 12.612 10.552 1.849 1.00 27.66 O ATOM 335 CB VAL A 31 9.778 11.353 1.255 1.00 18.39 C ATOM 336 CG1 VAL A 31 9.250 11.909 2.562 1.00 19.20 C ATOM 337 CG2 VAL A 31 8.779 11.422 0.127 1.00 22.65 C ATOM 338 H VAL A 31 11.664 10.678 -0.675 1.00 0.00 H ATOM 339 N ILE A 32 12.521 12.658 2.674 1.00 29.23 N ATOM 340 CA ILE A 32 13.359 12.436 3.849 1.00 25.15 C ATOM 341 C ILE A 32 12.515 12.390 5.126 1.00 24.42 C ATOM 342 O ILE A 32 11.771 13.345 5.407 1.00 22.59 O ATOM 343 CB ILE A 32 14.350 13.603 3.995 1.00 26.65 C ATOM 344 CG1 ILE A 32 15.148 13.775 2.716 1.00 27.50 C ATOM 345 CG2 ILE A 32 15.231 13.422 5.216 1.00 28.43 C ATOM 346 CD1 ILE A 32 15.873 12.532 2.253 1.00 30.83 C ATOM 347 H ILE A 32 12.189 13.626 2.487 1.00 0.00 H ATOM 348 N VAL A 33 12.658 11.311 5.906 1.00 23.30 N ATOM 349 CA VAL A 33 11.882 11.103 7.127 1.00 24.04 C ATOM 350 C VAL A 33 12.810 10.924 8.336 1.00 28.83 C ATOM 351 O VAL A 33 13.704 10.072 8.337 1.00 32.72 O ATOM 352 CB VAL A 33 10.940 9.890 6.981 1.00 26.91 C ATOM 353 CG1 VAL A 33 10.009 9.742 8.187 1.00 25.18 C ATOM 354 CG2 VAL A 33 10.167 9.981 5.683 1.00 28.32 C ATOM 355 H VAL A 33 13.353 10.588 5.630 1.00 0.00 H ATOM 356 N GLU A 34 12.716 11.855 9.272 1.00 28.60 N ATOM 357 CA GLU A 34 13.463 11.795 10.521 1.00 27.09 C ATOM 358 C GLU A 34 12.540 12.027 11.692 1.00 27.01 C ATOM 359 O GLU A 34 11.555 12.762 11.593 1.00 29.75 O ATOM 360 CB GLU A 34 14.545 12.879 10.550 1.00 29.23 C ATOM 361 CG GLU A 34 15.741 12.613 9.655 1.00 35.49 C ATOM 362 CD GLU A 34 16.810 13.691 9.777 1.00 30.18 C ATOM 363 OE1 GLU A 34 16.810 14.432 10.775 1.00 36.21 O ATOM 364 OE2 GLU A 34 17.614 13.831 8.846 1.00 33.34 O ATOM 365 H GLU A 34 12.082 12.663 9.109 1.00 0.00 H ATOM 366 N LYS A 35 12.839 11.348 12.789 1.00 30.03 N ATOM 367 CA LYS A 35 12.350 11.694 14.115 1.00 34.94 C ATOM 368 C LYS A 35 12.347 13.203 14.391 1.00 28.81 C ATOM 369 O LYS A 35 13.354 13.869 14.211 1.00 30.43 O ATOM 370 CB LYS A 35 13.243 10.982 15.152 1.00 38.90 C ATOM 371 CG LYS A 35 12.513 10.449 16.363 1.00 47.54 C ATOM 372 CD LYS A 35 13.469 9.779 17.343 1.00 46.71 C ATOM 373 CE LYS A 35 13.552 8.278 17.093 1.00 43.84 C ATOM 374 NZ LYS A 35 14.115 7.576 18.279 1.00 36.53 N ATOM 375 HZ1 LYS A 35 15.070 7.938 18.473 1.00 0.00 H ATOM 376 HZ2 LYS A 35 13.504 7.746 19.103 1.00 0.00 H ATOM 377 HZ3 LYS A 35 14.162 6.555 18.086 1.00 0.00 H ATOM 378 H LYS A 35 13.460 10.519 12.697 1.00 0.00 H ATOM 379 N ALA A 36 11.226 13.738 14.869 1.00 27.59 N ATOM 380 CA ALA A 36 11.187 15.146 15.332 1.00 31.94 C ATOM 381 C ALA A 36 12.178 15.391 16.457 1.00 35.80 C ATOM 382 O ALA A 36 12.455 14.488 17.241 1.00 35.14 O ATOM 383 CB ALA A 36 9.796 15.524 15.815 1.00 29.38 C ATOM 384 H ALA A 36 10.363 13.159 14.919 1.00 0.00 H ATOM 385 N PRO A 37 12.597 16.651 16.627 1.00 49.89 N ATOM 386 CA PRO A 37 13.394 17.033 17.793 1.00 51.51 C ATOM 387 C PRO A 37 12.660 16.713 19.082 1.00 43.69 C ATOM 388 O PRO A 37 11.471 17.019 19.200 1.00 43.80 O ATOM 389 CB PRO A 37 13.552 18.551 17.642 1.00 55.55 C ATOM 390 CG PRO A 37 13.310 18.829 16.196 1.00 55.80 C ATOM 391 CD PRO A 37 12.346 17.787 15.721 1.00 48.45 C ATOM 392 N LYS A 38 13.344 16.002 19.978 1.00 44.65 N ATOM 393 CA LYS A 38 12.872 15.721 21.338 1.00 41.77 C ATOM 394 C LYS A 38 11.809 14.650 21.363 1.00 36.65 C ATOM 395 O LYS A 38 11.232 14.350 22.407 1.00 42.95 O ATOM 396 CB LYS A 38 12.358 16.979 22.037 1.00 50.00 C ATOM 397 CG LYS A 38 13.458 17.940 22.456 1.00 53.26 C ATOM 398 CD LYS A 38 13.006 19.378 22.293 1.00 59.51 C ATOM 399 CE LYS A 38 14.180 20.334 22.195 1.00 66.76 C ATOM 400 NZ LYS A 38 13.715 21.686 21.778 1.00 73.35 N ATOM 401 HZ1 LYS A 38 13.252 21.621 20.849 1.00 0.00 H ATOM 402 HZ2 LYS A 38 13.039 22.050 22.479 1.00 0.00 H ATOM 403 HZ3 LYS A 38 14.531 22.328 21.716 1.00 0.00 H ATOM 404 H LYS A 38 14.270 15.623 19.695 1.00 0.00 H ATOM 405 N ALA A 39 11.589 14.025 20.221 1.00 34.19 N ATOM 406 CA ALA A 39 10.656 12.912 20.145 1.00 31.35 C ATOM 407 C ALA A 39 11.217 11.689 20.885 1.00 31.03 C ATOM 408 O ALA A 39 12.435 11.488 20.951 1.00 26.68 O ATOM 409 CB ALA A 39 10.386 12.579 18.692 1.00 34.09 C ATOM 410 H ALA A 39 12.090 14.333 19.363 1.00 0.00 H ATOM 411 N ARG A 40 10.318 10.929 21.505 1.00 23.63 N ATOM 412 CA ARG A 40 10.668 9.767 22.309 1.00 26.77 C ATOM 413 C ARG A 40 9.954 8.594 21.678 1.00 30.28 C ATOM 414 O ARG A 40 8.766 8.349 21.939 1.00 26.17 O ATOM 415 CB ARG A 40 10.201 9.912 23.770 1.00 27.38 C ATOM 416 CG ARG A 40 10.680 11.163 24.491 1.00 30.20 C ATOM 417 CD ARG A 40 12.178 11.129 24.675 1.00 33.50 C ATOM 418 NE ARG A 40 12.592 10.149 25.684 1.00 32.65 N ATOM 419 CZ ARG A 40 13.788 10.173 26.271 1.00 32.44 C ATOM 420 NH1 ARG A 40 14.642 11.140 25.974 1.00 29.48 N ATOM 421 NH2 ARG A 40 14.105 9.282 27.198 1.00 33.60 N ATOM 422 HE ARG A 40 11.922 9.401 25.954 1.00 0.00 H ATOM 423 HH12 ARG A 40 15.577 11.165 26.428 1.00 0.00 H ATOM 424 HH11 ARG A 40 14.378 11.874 25.287 1.00 0.00 H ATOM 425 HH22 ARG A 40 15.042 9.311 27.649 1.00 0.00 H ATOM 426 HH21 ARG A 40 13.417 8.553 27.475 1.00 0.00 H ATOM 427 H ARG A 40 9.313 11.178 21.410 1.00 0.00 H ATOM 428 N ILE A 41 10.637 7.946 20.750 1.00 30.77 N ATOM 429 CA ILE A 41 9.967 7.018 19.854 1.00 33.01 C ATOM 430 C ILE A 41 10.985 6.215 19.062 1.00 32.07 C ATOM 431 O ILE A 41 12.117 6.664 18.842 1.00 25.02 O ATOM 432 CB ILE A 41 9.010 7.771 18.898 1.00 35.01 C ATOM 433 CG1 ILE A 41 8.019 6.813 18.235 1.00 29.06 C ATOM 434 CG2 ILE A 41 9.791 8.572 17.866 1.00 34.84 C ATOM 435 CD1 ILE A 41 7.296 7.442 17.075 1.00 31.56 C ATOM 436 H ILE A 41 11.661 8.101 20.660 1.00 0.00 H ATOM 437 N GLY A 42 10.575 5.011 18.683 1.00 33.93 N ATOM 438 CA GLY A 42 11.413 4.080 17.944 1.00 38.28 C ATOM 439 C GLY A 42 12.056 4.641 16.689 1.00 40.98 C ATOM 440 O GLY A 42 11.486 5.483 15.968 1.00 34.94 O ATOM 441 H GLY A 42 9.607 4.719 18.926 1.00 0.00 H ATOM 442 N ASP A 43 13.251 4.143 16.420 1.00 38.27 N ATOM 443 CA ASP A 43 14.029 4.570 15.269 1.00 42.85 C ATOM 444 C ASP A 43 13.479 4.029 13.962 1.00 38.41 C ATOM 445 O ASP A 43 12.751 3.030 13.936 1.00 34.37 O ATOM 446 CB ASP A 43 15.460 4.107 15.444 1.00 46.13 C ATOM 447 CG ASP A 43 16.092 4.695 16.676 1.00 45.55 C ATOM 448 OD1 ASP A 43 15.968 5.928 16.839 1.00 49.58 O ATOM 449 OD2 ASP A 43 16.645 3.933 17.502 1.00 39.99 O ATOM 450 H ASP A 43 13.648 3.421 17.054 1.00 0.00 H ATOM 451 N LEU A 44 13.757 4.768 12.900 1.00 33.93 N ATOM 452 CA LEU A 44 13.451 4.345 11.554 1.00 31.23 C ATOM 453 C LEU A 44 14.745 3.872 10.915 1.00 31.01 C ATOM 454 O LEU A 44 15.760 4.577 10.938 1.00 24.20 O ATOM 455 CB LEU A 44 12.880 5.533 10.777 1.00 31.21 C ATOM 456 CG LEU A 44 12.071 5.263 9.517 1.00 32.87 C ATOM 457 CD1 LEU A 44 11.060 4.155 9.742 1.00 30.72 C ATOM 458 CD2 LEU A 44 11.355 6.538 9.065 1.00 28.29 C ATOM 459 H LEU A 44 14.215 5.691 13.041 1.00 0.00 H ATOM 460 N ASP A 45 14.724 2.641 10.410 1.00 31.97 N ATOM 461 CA ASP A 45 15.933 2.015 9.906 1.00 32.12 C ATOM 462 C ASP A 45 16.485 2.804 8.724 1.00 32.92 C ATOM 463 O ASP A 45 17.679 3.082 8.662 1.00 36.87 O ATOM 464 CB ASP A 45 15.693 0.532 9.556 1.00 35.08 C ATOM 465 CG ASP A 45 14.513 0.306 8.592 1.00 37.78 C ATOM 466 OD1 ASP A 45 13.608 1.164 8.460 1.00 35.96 O ATOM 467 OD2 ASP A 45 14.491 -0.769 7.967 1.00 38.98 O ATOM 468 H ASP A 45 13.826 2.118 10.376 1.00 0.00 H ATOM 469 N LYS A 46 15.582 3.307 7.887 1.00 27.63 N ATOM 470 CA LYS A 46 15.948 4.100 6.727 1.00 29.66 C ATOM 471 C LYS A 46 15.282 5.481 6.767 1.00 27.16 C ATOM 472 O LYS A 46 14.090 5.601 7.066 1.00 28.02 O ATOM 473 CB LYS A 46 15.539 3.388 5.427 1.00 37.04 C ATOM 474 CG LYS A 46 15.830 1.899 5.389 1.00 35.00 C ATOM 475 CD LYS A 46 17.323 1.668 5.446 1.00 35.07 C ATOM 476 CE LYS A 46 17.676 0.239 5.092 1.00 35.00 C ATOM 477 NZ LYS A 46 19.152 0.056 5.157 1.00 37.98 N ATOM 478 HZ1 LYS A 46 19.610 0.702 4.483 1.00 0.00 H ATOM 479 HZ2 LYS A 46 19.484 0.265 6.120 1.00 0.00 H ATOM 480 HZ3 LYS A 46 19.389 -0.927 4.913 1.00 0.00 H ATOM 481 H LYS A 46 14.575 3.125 8.070 1.00 0.00 H ATOM 482 N LYS A 47 15.980 6.405 6.132 1.00 29.10 N ATOM 483 CA LYS A 47 15.672 7.827 6.109 1.00 30.66 C ATOM 484 C LYS A 47 15.129 8.300 4.746 1.00 25.13 C ATOM 485 O LYS A 47 14.314 9.212 4.678 1.00 28.13 O ATOM 486 CB LYS A 47 16.982 8.551 6.427 1.00 28.67 C ATOM 487 CG LYS A 47 16.967 10.047 6.293 1.00 31.05 C ATOM 488 CD LYS A 47 18.332 10.611 6.678 1.00 31.55 C ATOM 489 CE LYS A 47 18.670 10.292 8.124 1.00 30.18 C ATOM 490 NZ LYS A 47 19.414 11.415 8.745 1.00 34.31 N ATOM 491 HZ1 LYS A 47 20.297 11.577 8.219 1.00 0.00 H ATOM 492 HZ2 LYS A 47 18.829 12.275 8.716 1.00 0.00 H ATOM 493 HZ3 LYS A 47 19.636 11.178 9.733 1.00 0.00 H ATOM 494 H LYS A 47 16.819 6.090 5.605 1.00 0.00 H ATOM 495 N LYS A 48 15.581 7.692 3.655 1.00 24.14 N ATOM 496 CA LYS A 48 15.236 8.172 2.320 1.00 24.98 C ATOM 497 C LYS A 48 14.251 7.262 1.563 1.00 29.50 C ATOM 498 O LYS A 48 14.504 6.070 1.304 1.00 26.16 O ATOM 499 CB LYS A 48 16.483 8.380 1.480 1.00 29.28 C ATOM 500 CG LYS A 48 17.558 9.194 2.170 1.00 26.51 C ATOM 501 CD LYS A 48 18.532 9.749 1.151 1.00 28.21 C ATOM 502 CE LYS A 48 19.290 8.627 0.450 1.00 33.50 C ATOM 503 NZ LYS A 48 20.294 9.130 -0.526 1.00 34.11 N ATOM 504 HZ1 LYS A 48 19.814 9.694 -1.256 1.00 0.00 H ATOM 505 HZ2 LYS A 48 20.990 9.723 -0.031 1.00 0.00 H ATOM 506 HZ3 LYS A 48 20.777 8.324 -0.971 1.00 0.00 H ATOM 507 H LYS A 48 16.193 6.857 3.754 1.00 0.00 H ATOM 508 N TYR A 49 13.159 7.869 1.140 1.00 23.49 N ATOM 509 CA TYR A 49 12.084 7.135 0.530 1.00 25.28 C ATOM 510 C TYR A 49 11.709 7.743 -0.806 1.00 24.70 C ATOM 511 O TYR A 49 11.466 8.944 -0.910 1.00 26.17 O ATOM 512 CB TYR A 49 10.882 7.119 1.455 1.00 25.91 C ATOM 513 CG TYR A 49 11.146 6.377 2.727 1.00 25.35 C ATOM 514 CD1 TYR A 49 10.953 5.001 2.805 1.00 24.89 C ATOM 515 CD2 TYR A 49 11.621 7.032 3.838 1.00 25.26 C ATOM 516 CE1 TYR A 49 11.201 4.315 3.981 1.00 27.36 C ATOM 517 CE2 TYR A 49 11.912 6.347 5.003 1.00 28.53 C ATOM 518 CZ TYR A 49 11.749 4.983 5.054 1.00 28.18 C ATOM 519 OH TYR A 49 12.049 4.307 6.210 1.00 26.20 O ATOM 520 HH TYR A 49 13.003 4.447 6.435 1.00 0.00 H ATOM 521 H TYR A 49 13.074 8.900 1.250 1.00 0.00 H ATOM 522 N LEU A 50 11.660 6.888 -1.820 1.00 23.27 N ATOM 523 CA LEU A 50 11.188 7.259 -3.139 1.00 25.00 C ATOM 524 C LEU A 50 9.805 6.653 -3.316 1.00 23.82 C ATOM 525 O LEU A 50 9.668 5.462 -3.574 1.00 21.91 O ATOM 526 CB LEU A 50 12.131 6.735 -4.208 1.00 26.81 C ATOM 527 CG LEU A 50 11.832 7.194 -5.636 1.00 31.90 C ATOM 528 CD1 LEU A 50 11.876 8.708 -5.704 1.00 32.55 C ATOM 529 CD2 LEU A 50 12.817 6.567 -6.617 1.00 38.41 C ATOM 530 H LEU A 50 11.974 5.909 -1.661 1.00 0.00 H ATOM 531 N VAL A 51 8.803 7.511 -3.253 1.00 28.01 N ATOM 532 CA VAL A 51 7.435 7.125 -2.980 1.00 28.87 C ATOM 533 C VAL A 51 6.554 7.379 -4.224 1.00 29.26 C ATOM 534 O VAL A 51 6.609 8.442 -4.801 1.00 27.99 O ATOM 535 CB VAL A 51 6.905 7.961 -1.786 1.00 28.56 C ATOM 536 CG1 VAL A 51 5.466 7.607 -1.446 1.00 28.88 C ATOM 537 CG2 VAL A 51 7.797 7.767 -0.567 1.00 27.09 C ATOM 538 H VAL A 51 9.008 8.519 -3.408 1.00 0.00 H ATOM 539 N PRO A 52 5.713 6.402 -4.617 1.00 27.48 N ATOM 540 CA PRO A 52 4.864 6.691 -5.753 1.00 29.80 C ATOM 541 C PRO A 52 3.952 7.873 -5.447 1.00 26.41 C ATOM 542 O PRO A 52 3.566 8.108 -4.285 1.00 23.00 O ATOM 543 CB PRO A 52 4.050 5.396 -5.930 1.00 30.06 C ATOM 544 CG PRO A 52 4.919 4.325 -5.372 1.00 26.54 C ATOM 545 CD PRO A 52 5.635 4.985 -4.214 1.00 29.00 C ATOM 546 N SER A 53 3.749 8.707 -6.453 1.00 23.66 N ATOM 547 CA SER A 53 3.119 9.986 -6.237 1.00 25.32 C ATOM 548 C SER A 53 1.656 9.792 -5.891 1.00 25.92 C ATOM 549 O SER A 53 1.046 10.632 -5.225 1.00 28.94 O ATOM 550 CB SER A 53 3.264 10.846 -7.483 1.00 29.45 C ATOM 551 OG SER A 53 4.624 11.248 -7.619 1.00 38.41 O ATOM 552 HG SER A 53 5.198 10.445 -7.700 1.00 0.00 H ATOM 553 H SER A 53 4.047 8.437 -7.412 1.00 0.00 H ATOM 554 N ASP A 54 1.096 8.685 -6.345 1.00 25.37 N ATOM 555 CA ASP A 54 -0.330 8.395 -6.084 1.00 32.45 C ATOM 556 C ASP A 54 -0.680 7.783 -4.709 1.00 32.27 C ATOM 557 O ASP A 54 -1.831 7.854 -4.291 1.00 34.92 O ATOM 558 CB ASP A 54 -0.929 7.563 -7.226 1.00 36.19 C ATOM 559 CG ASP A 54 -0.237 6.233 -7.429 1.00 46.56 C ATOM 560 OD1 ASP A 54 1.009 6.203 -7.531 1.00 56.32 O ATOM 561 OD2 ASP A 54 -0.956 5.233 -7.628 1.00 53.50 O ATOM 562 H ASP A 54 1.665 8.009 -6.893 1.00 0.00 H ATOM 563 N LEU A 55 0.299 7.196 -4.020 1.00 33.39 N ATOM 564 CA LEU A 55 0.155 6.803 -2.601 1.00 36.85 C ATOM 565 C LEU A 55 -0.333 7.953 -1.723 1.00 34.18 C ATOM 566 O LEU A 55 0.232 9.047 -1.789 1.00 29.93 O ATOM 567 CB LEU A 55 1.519 6.382 -2.080 1.00 37.28 C ATOM 568 CG LEU A 55 1.570 5.239 -1.076 1.00 41.64 C ATOM 569 CD1 LEU A 55 1.699 3.916 -1.822 1.00 43.92 C ATOM 570 CD2 LEU A 55 2.719 5.443 -0.098 1.00 40.52 C ATOM 571 H LEU A 55 1.202 7.006 -4.500 1.00 0.00 H ATOM 572 N THR A 56 -1.339 7.716 -0.876 1.00 30.97 N ATOM 573 CA THR A 56 -1.839 8.777 0.009 1.00 26.72 C ATOM 574 C THR A 56 -0.927 8.956 1.213 1.00 21.44 C ATOM 575 O THR A 56 -0.159 8.072 1.563 1.00 26.07 O ATOM 576 CB THR A 56 -3.255 8.523 0.580 1.00 27.25 C ATOM 577 OG1 THR A 56 -3.217 7.417 1.494 1.00 26.82 O ATOM 578 CG2 THR A 56 -4.283 8.299 -0.523 1.00 27.79 C ATOM 579 HG1 THR A 56 -2.596 7.625 2.236 1.00 0.00 H ATOM 580 H THR A 56 -1.772 6.771 -0.843 1.00 0.00 H ATOM 581 N VAL A 57 -1.068 10.095 1.867 1.00 24.53 N ATOM 582 CA VAL A 57 -0.334 10.372 3.098 1.00 28.17 C ATOM 583 C VAL A 57 -0.686 9.318 4.167 1.00 28.21 C ATOM 584 O VAL A 57 0.196 8.799 4.833 1.00 26.15 O ATOM 585 CB VAL A 57 -0.655 11.783 3.605 1.00 27.12 C ATOM 586 CG1 VAL A 57 -0.108 12.015 5.009 1.00 29.67 C ATOM 587 CG2 VAL A 57 -0.137 12.827 2.626 1.00 31.56 C ATOM 588 H VAL A 57 -1.720 10.814 1.494 1.00 0.00 H ATOM 589 N GLY A 58 -1.937 8.861 4.174 1.00 26.50 N ATOM 590 CA GLY A 58 -2.370 7.766 5.053 1.00 26.12 C ATOM 591 C GLY A 58 -1.609 6.467 4.847 1.00 24.25 C ATOM 592 O GLY A 58 -1.201 5.805 5.810 1.00 26.00 O ATOM 593 H GLY A 58 -2.633 9.295 3.534 1.00 0.00 H ATOM 594 N GLN A 59 -1.435 6.088 3.591 1.00 23.63 N ATOM 595 CA GLN A 59 -0.759 4.848 3.260 1.00 25.33 C ATOM 596 C GLN A 59 0.703 4.952 3.624 1.00 21.34 C ATOM 597 O GLN A 59 1.302 4.003 4.100 1.00 25.57 O ATOM 598 CB GLN A 59 -0.891 4.561 1.769 1.00 27.65 C ATOM 599 CG GLN A 59 -2.298 4.156 1.336 1.00 30.64 C ATOM 600 CD GLN A 59 -2.416 3.984 -0.174 1.00 32.90 C ATOM 601 OE1 GLN A 59 -2.369 4.951 -0.939 1.00 27.23 O ATOM 602 NE2 GLN A 59 -2.536 2.738 -0.611 1.00 39.41 N ATOM 603 HE22 GLN A 59 -2.572 1.950 0.067 1.00 0.00 H ATOM 604 HE21 GLN A 59 -2.594 2.548 -1.632 1.00 0.00 H ATOM 605 H GLN A 59 -1.791 6.693 2.824 1.00 0.00 H ATOM 606 N PHE A 60 1.298 6.102 3.333 1.00 24.35 N ATOM 607 CA PHE A 60 2.694 6.315 3.716 1.00 22.82 C ATOM 608 C PHE A 60 2.868 6.294 5.241 1.00 23.96 C ATOM 609 O PHE A 60 3.716 5.578 5.757 1.00 25.42 O ATOM 610 CB PHE A 60 3.214 7.600 3.136 1.00 21.03 C ATOM 611 CG PHE A 60 4.689 7.730 3.249 1.00 19.45 C ATOM 612 CD1 PHE A 60 5.507 6.780 2.694 1.00 20.92 C ATOM 613 CD2 PHE A 60 5.239 8.723 4.038 1.00 23.96 C ATOM 614 CE1 PHE A 60 6.883 6.850 2.854 1.00 20.39 C ATOM 615 CE2 PHE A 60 6.606 8.847 4.138 1.00 18.97 C ATOM 616 CZ PHE A 60 7.416 7.885 3.583 1.00 21.08 C ATOM 617 H PHE A 60 0.774 6.849 2.834 1.00 0.00 H ATOM 618 N TYR A 61 1.960 6.951 5.952 1.00 26.58 N ATOM 619 CA TYR A 61 1.850 6.835 7.405 1.00 29.97 C ATOM 620 C TYR A 61 1.872 5.393 7.935 1.00 31.31 C ATOM 621 O TYR A 61 2.685 5.054 8.820 1.00 25.77 O ATOM 622 CB TYR A 61 0.580 7.554 7.865 1.00 35.67 C ATOM 623 CG TYR A 61 0.346 7.551 9.347 1.00 36.18 C ATOM 624 CD1 TYR A 61 1.038 8.413 10.176 1.00 34.22 C ATOM 625 CD2 TYR A 61 -0.599 6.702 9.924 1.00 43.90 C ATOM 626 CE1 TYR A 61 0.791 8.449 11.535 1.00 33.92 C ATOM 627 CE2 TYR A 61 -0.851 6.726 11.291 1.00 38.72 C ATOM 628 CZ TYR A 61 -0.150 7.611 12.088 1.00 40.46 C ATOM 629 OH TYR A 61 -0.324 7.611 13.452 1.00 37.85 O ATOM 630 HH TYR A 61 0.254 8.305 13.857 1.00 0.00 H ATOM 631 H TYR A 61 1.296 7.577 5.453 1.00 0.00 H ATOM 632 N PHE A 62 0.972 4.550 7.425 1.00 31.84 N ATOM 633 CA PHE A 62 0.855 3.169 7.905 1.00 29.33 C ATOM 634 C PHE A 62 2.071 2.364 7.492 1.00 27.94 C ATOM 635 O PHE A 62 2.553 1.510 8.235 1.00 32.76 O ATOM 636 CB PHE A 62 -0.446 2.505 7.425 1.00 33.28 C ATOM 637 CG PHE A 62 -1.661 2.937 8.208 1.00 37.70 C ATOM 638 CD1 PHE A 62 -1.761 2.658 9.572 1.00 45.80 C ATOM 639 CD2 PHE A 62 -2.636 3.737 7.629 1.00 43.47 C ATOM 640 CE1 PHE A 62 -2.828 3.138 10.323 1.00 45.48 C ATOM 641 CE2 PHE A 62 -3.690 4.239 8.383 1.00 40.40 C ATOM 642 CZ PHE A 62 -3.794 3.929 9.724 1.00 44.17 C ATOM 643 H PHE A 62 0.338 4.880 6.669 1.00 0.00 H ATOM 644 N LEU A 63 2.674 2.763 6.386 1.00 28.55 N ATOM 645 CA LEU A 63 3.916 2.160 5.937 1.00 29.66 C ATOM 646 C LEU A 63 4.998 2.432 6.956 1.00 25.44 C ATOM 647 O LEU A 63 5.791 1.549 7.301 1.00 24.65 O ATOM 648 CB LEU A 63 4.299 2.763 4.593 1.00 34.34 C ATOM 649 CG LEU A 63 5.433 2.153 3.792 1.00 32.80 C ATOM 650 CD1 LEU A 63 5.182 2.464 2.326 1.00 32.01 C ATOM 651 CD2 LEU A 63 6.784 2.719 4.247 1.00 32.76 C ATOM 652 H LEU A 63 2.249 3.527 5.824 1.00 0.00 H ATOM 653 N ILE A 64 5.091 3.680 7.394 1.00 30.29 N ATOM 654 CA ILE A 64 6.181 4.062 8.294 1.00 24.71 C ATOM 655 C ILE A 64 5.969 3.455 9.684 1.00 27.81 C ATOM 656 O ILE A 64 6.907 2.931 10.267 1.00 24.07 O ATOM 657 CB ILE A 64 6.338 5.588 8.397 1.00 26.39 C ATOM 658 CG1 ILE A 64 6.872 6.180 7.092 1.00 27.53 C ATOM 659 CG2 ILE A 64 7.208 5.961 9.590 1.00 25.82 C ATOM 660 CD1 ILE A 64 8.161 5.583 6.570 1.00 27.06 C ATOM 661 H ILE A 64 4.389 4.388 7.098 1.00 0.00 H ATOM 662 N ARG A 65 4.740 3.533 10.216 1.00 26.71 N ATOM 663 CA ARG A 65 4.358 2.779 11.414 1.00 28.37 C ATOM 664 C ARG A 65 4.951 1.374 11.373 1.00 35.66 C ATOM 665 O ARG A 65 5.651 0.947 12.303 1.00 35.62 O ATOM 666 CB ARG A 65 2.816 2.668 11.526 1.00 27.91 C ATOM 667 CG ARG A 65 2.150 3.912 12.101 1.00 29.98 C ATOM 668 CD ARG A 65 0.636 3.744 12.297 1.00 32.91 C ATOM 669 NE ARG A 65 0.351 2.951 13.485 1.00 32.50 N ATOM 670 CZ ARG A 65 0.535 3.372 14.737 1.00 33.02 C ATOM 671 NH1 ARG A 65 0.994 4.595 14.980 1.00 39.51 N ATOM 672 NH2 ARG A 65 0.306 2.551 15.757 1.00 39.29 N ATOM 673 HE ARG A 65 -0.022 1.990 13.347 1.00 0.00 H ATOM 674 HH12 ARG A 65 1.134 4.913 15.960 1.00 0.00 H ATOM 675 HH11 ARG A 65 1.214 5.235 14.190 1.00 0.00 H ATOM 676 HH22 ARG A 65 0.450 2.881 16.733 1.00 0.00 H ATOM 677 HH21 ARG A 65 -0.017 1.579 15.579 1.00 0.00 H ATOM 678 H ARG A 65 4.035 4.149 9.764 1.00 0.00 H ATOM 679 N LYS A 66 4.687 0.661 10.278 1.00 33.67 N ATOM 680 CA LYS A 66 5.067 -0.732 10.190 1.00 31.65 C ATOM 681 C LYS A 66 6.574 -0.856 10.260 1.00 28.92 C ATOM 682 O LYS A 66 7.101 -1.732 10.935 1.00 30.92 O ATOM 683 CB LYS A 66 4.536 -1.373 8.913 1.00 36.80 C ATOM 684 CG LYS A 66 3.026 -1.579 8.943 1.00 44.38 C ATOM 685 CD LYS A 66 2.598 -2.822 8.171 1.00 51.38 C ATOM 686 CE LYS A 66 1.113 -3.097 8.373 1.00 59.69 C ATOM 687 NZ LYS A 66 0.263 -1.925 8.010 1.00 54.48 N ATOM 688 HZ1 LYS A 66 0.524 -1.112 8.604 1.00 0.00 H ATOM 689 HZ2 LYS A 66 0.413 -1.686 7.009 1.00 0.00 H ATOM 690 HZ3 LYS A 66 -0.738 -2.163 8.165 1.00 0.00 H ATOM 691 H LYS A 66 4.201 1.112 9.477 1.00 0.00 H ATOM 692 N ARG A 67 7.274 0.075 9.644 1.00 27.87 N ATOM 693 CA ARG A 67 8.729 -0.015 9.611 1.00 27.83 C ATOM 694 C ARG A 67 9.349 0.228 10.974 1.00 30.66 C ATOM 695 O ARG A 67 10.478 -0.232 11.255 1.00 30.91 O ATOM 696 CB ARG A 67 9.305 0.953 8.602 1.00 28.46 C ATOM 697 CG ARG A 67 8.959 0.618 7.165 1.00 32.23 C ATOM 698 CD ARG A 67 9.829 1.396 6.201 1.00 32.57 C ATOM 699 NE ARG A 67 11.211 0.934 6.232 1.00 31.10 N ATOM 700 CZ ARG A 67 11.747 0.121 5.322 1.00 35.93 C ATOM 701 NH1 ARG A 67 11.003 -0.379 4.353 1.00 32.33 N ATOM 702 NH2 ARG A 67 13.029 -0.207 5.389 1.00 35.88 N ATOM 703 HE ARG A 67 11.816 1.259 7.013 1.00 0.00 H ATOM 704 HH12 ARG A 67 11.427 -1.013 3.646 1.00 0.00 H ATOM 705 HH11 ARG A 67 9.993 -0.139 4.297 1.00 0.00 H ATOM 706 HH22 ARG A 67 13.441 -0.842 4.676 1.00 0.00 H ATOM 707 HH21 ARG A 67 13.623 0.170 6.155 1.00 0.00 H ATOM 708 H ARG A 67 6.790 0.872 9.183 1.00 0.00 H ATOM 709 N ILE A 68 8.650 1.003 11.796 1.00 27.08 N ATOM 710 CA ILE A 68 9.113 1.296 13.151 1.00 34.35 C ATOM 711 C ILE A 68 8.739 0.131 14.090 1.00 35.66 C ATOM 712 O ILE A 68 9.337 -0.038 15.152 1.00 37.90 O ATOM 713 CB ILE A 68 8.532 2.640 13.658 1.00 25.37 C ATOM 714 CG1 ILE A 68 8.938 3.764 12.708 1.00 29.66 C ATOM 715 CG2 ILE A 68 9.005 2.909 15.069 1.00 30.83 C ATOM 716 CD1 ILE A 68 8.273 5.112 12.923 1.00 28.41 C ATOM 717 H ILE A 68 7.752 1.411 11.467 1.00 0.00 H ATOM 718 N HIS A 69 7.839 -0.731 13.608 1.00 33.28 N ATOM 719 CA HIS A 69 7.306 -1.870 14.361 1.00 36.37 C ATOM 720 C HIS A 69 6.472 -1.400 15.525 1.00 37.40 C ATOM 721 O HIS A 69 6.461 -2.048 16.574 1.00 35.68 O ATOM 722 CB HIS A 69 8.410 -2.812 14.880 1.00 35.74 C ATOM 723 CG HIS A 69 9.352 -3.286 13.818 1.00 42.61 C ATOM 724 ND1 HIS A 69 8.946 -4.077 12.766 1.00 42.36 N ATOM 725 CD2 HIS A 69 10.669 -3.043 13.621 1.00 45.11 C ATOM 726 CE1 HIS A 69 9.969 -4.291 11.958 1.00 46.21 C ATOM 727 NE2 HIS A 69 11.026 -3.673 12.454 1.00 52.36 N ATOM 728 H HIS A 69 7.495 -0.585 12.638 1.00 0.00 H ATOM 729 N LEU A 70 5.763 -0.289 15.350 1.00 30.49 N ATOM 730 CA LEU A 70 4.966 0.241 16.432 1.00 34.24 C ATOM 731 C LEU A 70 3.930 -0.797 16.796 1.00 36.68 C ATOM 732 O LEU A 70 3.544 -1.613 15.970 1.00 42.17 O ATOM 733 CB LEU A 70 4.266 1.544 16.031 1.00 36.72 C ATOM 734 CG LEU A 70 5.200 2.742 15.915 1.00 35.92 C ATOM 735 CD1 LEU A 70 4.424 3.979 15.500 1.00 37.54 C ATOM 736 CD2 LEU A 70 5.976 2.981 17.203 1.00 39.21 C ATOM 737 H LEU A 70 5.782 0.200 14.432 1.00 0.00 H ATOM 738 N ARG A 71 3.509 -0.786 18.048 1.00 39.58 N ATOM 739 CA ARG A 71 2.359 -1.557 18.456 1.00 34.04 C ATOM 740 C ARG A 71 1.130 -0.734 18.132 1.00 38.71 C ATOM 741 O ARG A 71 1.188 0.490 18.063 1.00 40.41 O ATOM 742 CB ARG A 71 2.428 -1.849 19.954 1.00 35.06 C ATOM 743 CG ARG A 71 3.705 -2.574 20.361 1.00 39.31 C ATOM 744 CD ARG A 71 3.807 -2.731 21.871 1.00 44.85 C ATOM 745 NE ARG A 71 2.827 -3.698 22.367 1.00 45.10 N ATOM 746 CZ ARG A 71 2.945 -5.018 22.245 1.00 44.25 C ATOM 747 NH1 ARG A 71 4.013 -5.559 21.669 1.00 46.23 N ATOM 748 NH2 ARG A 71 1.987 -5.807 22.701 1.00 49.09 N ATOM 749 HE ARG A 71 1.981 -3.329 22.847 1.00 0.00 H ATOM 750 HH12 ARG A 71 4.089 -6.593 21.582 1.00 0.00 H ATOM 751 HH11 ARG A 71 4.773 -4.949 21.305 1.00 0.00 H ATOM 752 HH22 ARG A 71 2.075 -6.839 22.608 1.00 0.00 H ATOM 753 HH21 ARG A 71 1.146 -5.396 23.153 1.00 0.00 H ATOM 754 H ARG A 71 4.015 -0.212 18.752 1.00 0.00 H ATOM 755 N ALA A 72 -0.003 -1.399 18.038 1.00 34.58 N ATOM 756 CA ALA A 72 -1.246 -0.704 17.769 1.00 36.15 C ATOM 757 C ALA A 72 -1.442 0.492 18.714 1.00 32.00 C ATOM 758 O ALA A 72 -1.787 1.573 18.263 1.00 38.51 O ATOM 759 CB ALA A 72 -2.413 -1.674 17.871 1.00 35.85 C ATOM 760 H ALA A 72 -0.006 -2.432 18.158 1.00 0.00 H ATOM 761 N GLU A 73 -1.132 0.332 19.998 1.00 32.69 N ATOM 762 CA GLU A 73 -1.393 1.390 20.977 1.00 39.90 C ATOM 763 C GLU A 73 -0.473 2.611 20.810 1.00 40.93 C ATOM 764 O GLU A 73 -0.731 3.681 21.386 1.00 34.34 O ATOM 765 CB GLU A 73 -1.337 0.851 22.429 1.00 40.46 C ATOM 766 CG GLU A 73 0.053 0.515 22.980 1.00 42.43 C ATOM 767 CD GLU A 73 0.417 -0.952 22.815 1.00 47.86 C ATOM 768 OE1 GLU A 73 0.027 -1.543 21.787 1.00 48.85 O ATOM 769 OE2 GLU A 73 1.117 -1.514 23.691 1.00 44.97 O ATOM 770 H GLU A 73 -0.697 -0.559 20.312 1.00 0.00 H ATOM 771 N ASP A 74 0.600 2.456 20.041 1.00 36.67 N ATOM 772 CA ASP A 74 1.627 3.484 20.011 1.00 33.51 C ATOM 773 C ASP A 74 1.186 4.578 19.046 1.00 32.93 C ATOM 774 O ASP A 74 0.673 4.286 17.978 1.00 32.68 O ATOM 775 CB ASP A 74 2.965 2.904 19.551 1.00 33.32 C ATOM 776 CG ASP A 74 3.563 1.914 20.536 1.00 32.80 C ATOM 777 OD1 ASP A 74 3.277 1.970 21.767 1.00 26.73 O ATOM 778 OD2 ASP A 74 4.416 1.129 20.067 1.00 27.81 O ATOM 779 H ASP A 74 0.705 1.599 19.461 1.00 0.00 H ATOM 780 N ALA A 75 1.457 5.831 19.392 1.00 34.21 N ATOM 781 CA ALA A 75 1.032 6.960 18.561 1.00 33.01 C ATOM 782 C ALA A 75 2.156 7.413 17.639 1.00 35.45 C ATOM 783 O ALA A 75 3.352 7.277 17.948 1.00 27.87 O ATOM 784 CB ALA A 75 0.599 8.117 19.439 1.00 36.34 C ATOM 785 H ALA A 75 1.982 6.015 20.271 1.00 0.00 H ATOM 786 N LEU A 76 1.761 7.989 16.520 1.00 30.31 N ATOM 787 CA LEU A 76 2.705 8.534 15.567 1.00 31.41 C ATOM 788 C LEU A 76 2.076 9.759 14.904 1.00 27.70 C ATOM 789 O LEU A 76 0.889 9.756 14.623 1.00 25.47 O ATOM 790 CB LEU A 76 3.010 7.484 14.515 1.00 31.38 C ATOM 791 CG LEU A 76 3.799 7.952 13.301 1.00 35.69 C ATOM 792 CD1 LEU A 76 5.252 8.038 13.671 1.00 30.34 C ATOM 793 CD2 LEU A 76 3.606 6.964 12.162 1.00 42.45 C ATOM 794 H LEU A 76 0.743 8.053 16.317 1.00 0.00 H ATOM 795 N PHE A 77 2.839 10.832 14.756 1.00 22.06 N ATOM 796 CA PHE A 77 2.337 12.054 14.101 1.00 23.61 C ATOM 797 C PHE A 77 3.363 12.468 13.059 1.00 24.00 C ATOM 798 O PHE A 77 4.560 12.362 13.308 1.00 22.96 O ATOM 799 CB PHE A 77 2.136 13.205 15.129 1.00 23.36 C ATOM 800 CG PHE A 77 1.058 12.936 16.163 1.00 25.14 C ATOM 801 CD1 PHE A 77 1.352 12.211 17.326 1.00 28.27 C ATOM 802 CD2 PHE A 77 -0.227 13.401 15.997 1.00 30.79 C ATOM 803 CE1 PHE A 77 0.379 11.940 18.269 1.00 28.63 C ATOM 804 CE2 PHE A 77 -1.212 13.126 16.943 1.00 27.93 C ATOM 805 CZ PHE A 77 -0.895 12.420 18.091 1.00 26.32 C ATOM 806 H PHE A 77 3.816 10.812 15.111 1.00 0.00 H ATOM 807 N PHE A 78 2.901 13.013 11.938 1.00 27.36 N ATOM 808 CA PHE A 78 3.795 13.581 10.918 1.00 27.07 C ATOM 809 C PHE A 78 3.801 15.108 10.976 1.00 23.76 C ATOM 810 O PHE A 78 2.762 15.721 11.147 1.00 25.48 O ATOM 811 CB PHE A 78 3.303 13.128 9.540 1.00 23.27 C ATOM 812 CG PHE A 78 3.732 11.738 9.160 1.00 24.37 C ATOM 813 CD1 PHE A 78 4.639 11.029 9.934 1.00 23.56 C ATOM 814 CD2 PHE A 78 3.287 11.171 7.973 1.00 25.69 C ATOM 815 CE1 PHE A 78 5.133 9.807 9.508 1.00 23.86 C ATOM 816 CE2 PHE A 78 3.696 9.914 7.594 1.00 24.55 C ATOM 817 CZ PHE A 78 4.681 9.260 8.324 1.00 28.10 C ATOM 818 H PHE A 78 1.874 13.038 11.777 1.00 0.00 H ATOM 819 N PHE A 79 4.953 15.751 10.812 1.00 18.58 N ATOM 820 CA PHE A 79 4.940 17.186 10.614 1.00 20.51 C ATOM 821 C PHE A 79 5.664 17.560 9.337 1.00 21.64 C ATOM 822 O PHE A 79 6.728 17.041 9.046 1.00 25.90 O ATOM 823 CB PHE A 79 5.545 17.923 11.802 1.00 23.01 C ATOM 824 CG PHE A 79 4.969 17.522 13.126 1.00 22.57 C ATOM 825 CD1 PHE A 79 5.369 16.341 13.744 1.00 20.78 C ATOM 826 CD2 PHE A 79 3.937 18.249 13.688 1.00 22.83 C ATOM 827 CE1 PHE A 79 4.875 15.999 14.985 1.00 24.99 C ATOM 828 CE2 PHE A 79 3.357 17.856 14.875 1.00 25.30 C ATOM 829 CZ PHE A 79 3.829 16.728 15.532 1.00 26.42 C ATOM 830 H PHE A 79 5.853 15.230 10.826 1.00 0.00 H ATOM 831 N VAL A 80 5.096 18.485 8.583 1.00 22.58 N ATOM 832 CA VAL A 80 5.753 19.009 7.390 1.00 23.17 C ATOM 833 C VAL A 80 5.519 20.513 7.313 1.00 22.76 C ATOM 834 O VAL A 80 4.411 20.963 7.490 1.00 21.32 O ATOM 835 CB VAL A 80 5.269 18.279 6.104 1.00 30.46 C ATOM 836 CG1 VAL A 80 3.767 18.112 6.095 1.00 34.81 C ATOM 837 CG2 VAL A 80 5.726 18.987 4.833 1.00 31.71 C ATOM 838 H VAL A 80 4.158 18.848 8.846 1.00 0.00 H ATOM 839 N ASN A 81 6.601 21.287 7.227 1.00 27.04 N ATOM 840 CA ASN A 81 6.532 22.754 7.318 1.00 28.84 C ATOM 841 C ASN A 81 5.603 23.289 8.381 1.00 28.13 C ATOM 842 O ASN A 81 4.767 24.138 8.101 1.00 30.87 O ATOM 843 CB ASN A 81 6.112 23.358 5.981 1.00 30.59 C ATOM 844 CG ASN A 81 7.178 23.219 4.933 1.00 35.85 C ATOM 845 OD1 ASN A 81 8.368 23.342 5.226 1.00 29.43 O ATOM 846 ND2 ASN A 81 6.766 22.943 3.704 1.00 31.81 N ATOM 847 HD22 ASN A 81 5.750 22.849 3.505 1.00 0.00 H ATOM 848 HD21 ASN A 81 7.459 22.821 2.938 1.00 0.00 H ATOM 849 H ASN A 81 7.529 20.837 7.090 1.00 0.00 H ATOM 850 N ASN A 82 5.740 22.781 9.594 1.00 26.59 N ATOM 851 CA ASN A 82 4.946 23.233 10.720 1.00 26.67 C ATOM 852 C ASN A 82 3.441 22.987 10.560 1.00 28.15 C ATOM 853 O ASN A 82 2.652 23.683 11.179 1.00 26.40 O ATOM 854 CB ASN A 82 5.203 24.724 10.981 1.00 30.05 C ATOM 855 CG ASN A 82 5.115 25.087 12.454 1.00 36.59 C ATOM 856 OD1 ASN A 82 5.243 24.231 13.340 1.00 37.05 O ATOM 857 ND2 ASN A 82 4.906 26.371 12.728 1.00 41.99 N ATOM 858 HD22 ASN A 82 4.804 27.058 11.954 1.00 0.00 H ATOM 859 HD21 ASN A 82 4.845 26.688 13.716 1.00 0.00 H ATOM 860 H ASN A 82 6.443 22.030 9.746 1.00 0.00 H ATOM 861 N VAL A 83 3.053 21.997 9.765 1.00 24.17 N ATOM 862 CA VAL A 83 1.668 21.489 9.799 1.00 29.74 C ATOM 863 C VAL A 83 1.622 19.977 9.813 1.00 25.72 C ATOM 864 O VAL A 83 2.575 19.301 9.419 1.00 23.11 O ATOM 865 CB VAL A 83 0.793 21.984 8.620 1.00 29.42 C ATOM 866 CG1 VAL A 83 0.513 23.479 8.747 1.00 29.57 C ATOM 867 CG2 VAL A 83 1.435 21.669 7.275 1.00 33.76 C ATOM 868 H VAL A 83 3.737 21.572 9.107 1.00 0.00 H ATOM 869 N ILE A 84 0.533 19.447 10.343 1.00 22.02 N ATOM 870 CA ILE A 84 0.225 18.033 10.193 1.00 25.22 C ATOM 871 C ILE A 84 -0.461 17.798 8.849 1.00 27.24 C ATOM 872 O ILE A 84 -1.476 18.400 8.578 1.00 25.48 O ATOM 873 CB ILE A 84 -0.666 17.545 11.356 1.00 22.38 C ATOM 874 CG1 ILE A 84 0.112 17.713 12.668 1.00 20.72 C ATOM 875 CG2 ILE A 84 -1.092 16.095 11.163 1.00 20.76 C ATOM 876 CD1 ILE A 84 -0.551 17.124 13.899 1.00 24.42 C ATOM 877 H ILE A 84 -0.118 20.055 10.879 1.00 0.00 H ATOM 878 N PRO A 85 0.121 16.951 7.986 1.00 27.28 N ATOM 879 CA PRO A 85 -0.440 16.819 6.635 1.00 29.46 C ATOM 880 C PRO A 85 -1.725 15.985 6.661 1.00 33.32 C ATOM 881 O PRO A 85 -1.866 15.116 7.513 1.00 26.33 O ATOM 882 CB PRO A 85 0.658 16.074 5.874 1.00 28.17 C ATOM 883 CG PRO A 85 1.347 15.257 6.921 1.00 30.21 C ATOM 884 CD PRO A 85 1.236 16.020 8.218 1.00 27.56 C ATOM 885 N PRO A 86 -2.670 16.273 5.758 1.00 29.60 N ATOM 886 CA PRO A 86 -3.921 15.494 5.779 1.00 31.75 C ATOM 887 C PRO A 86 -3.767 14.098 5.157 1.00 29.11 C ATOM 888 O PRO A 86 -3.091 13.954 4.128 1.00 30.78 O ATOM 889 CB PRO A 86 -4.890 16.347 4.946 1.00 30.54 C ATOM 890 CG PRO A 86 -4.049 17.289 4.155 1.00 31.43 C ATOM 891 CD PRO A 86 -2.723 17.434 4.853 1.00 27.29 C ATOM 892 N THR A 87 -4.436 13.097 5.728 1.00 29.11 N ATOM 893 CA THR A 87 -4.182 11.699 5.363 1.00 35.42 C ATOM 894 C THR A 87 -4.656 11.404 3.933 1.00 35.69 C ATOM 895 O THR A 87 -4.140 10.496 3.268 1.00 27.73 O ATOM 896 CB THR A 87 -4.889 10.729 6.323 1.00 43.09 C ATOM 897 OG1 THR A 87 -6.242 11.153 6.491 1.00 43.48 O ATOM 898 CG2 THR A 87 -4.194 10.696 7.691 1.00 44.28 C ATOM 899 HG1 THR A 87 -6.706 10.534 7.108 1.00 0.00 H ATOM 900 H THR A 87 -5.154 13.312 6.449 1.00 0.00 H ATOM 901 N SER A 88 -5.591 12.219 3.453 1.00 29.61 N ATOM 902 CA SER A 88 -6.224 11.993 2.162 1.00 35.21 C ATOM 903 C SER A 88 -5.407 12.568 1.010 1.00 31.34 C ATOM 904 O SER A 88 -5.653 12.233 -0.132 1.00 37.69 O ATOM 905 CB SER A 88 -7.609 12.634 2.145 1.00 33.86 C ATOM 906 OG SER A 88 -7.504 14.025 2.431 1.00 39.04 O ATOM 907 HG SER A 88 -7.098 14.147 3.326 1.00 0.00 H ATOM 908 H SER A 88 -5.879 13.044 4.018 1.00 0.00 H ATOM 909 N ALA A 89 -4.501 13.497 1.304 1.00 29.97 N ATOM 910 CA ALA A 89 -3.618 14.040 0.280 1.00 29.98 C ATOM 911 C ALA A 89 -2.777 12.929 -0.325 1.00 27.59 C ATOM 912 O ALA A 89 -2.491 11.934 0.328 1.00 27.54 O ATOM 913 CB ALA A 89 -2.720 15.130 0.861 1.00 30.66 C ATOM 914 H ALA A 89 -4.422 13.842 2.282 1.00 0.00 H ATOM 915 N THR A 90 -2.342 13.111 -1.565 1.00 26.44 N ATOM 916 CA THR A 90 -1.401 12.178 -2.153 1.00 25.07 C ATOM 917 C THR A 90 -0.001 12.713 -1.872 1.00 23.82 C ATOM 918 O THR A 90 0.159 13.901 -1.595 1.00 25.73 O ATOM 919 CB THR A 90 -1.605 12.030 -3.672 1.00 27.14 C ATOM 920 OG1 THR A 90 -1.302 13.267 -4.324 1.00 29.27 O ATOM 921 CG2 THR A 90 -3.041 11.615 -3.996 1.00 31.12 C ATOM 922 HG1 THR A 90 -1.902 13.976 -3.980 1.00 0.00 H ATOM 923 H THR A 90 -2.677 13.926 -2.117 1.00 0.00 H ATOM 924 N MET A 91 0.977 11.814 -1.842 1.00 23.68 N ATOM 925 CA MET A 91 2.346 12.173 -1.565 1.00 25.09 C ATOM 926 C MET A 91 2.816 13.125 -2.656 1.00 25.48 C ATOM 927 O MET A 91 3.626 14.013 -2.415 1.00 27.54 O ATOM 928 CB MET A 91 3.236 10.924 -1.518 1.00 27.49 C ATOM 929 CG MET A 91 3.130 10.064 -0.256 1.00 25.44 C ATOM 930 SD MET A 91 3.225 10.963 1.306 1.00 24.74 S ATOM 931 CE MET A 91 4.997 11.249 1.380 1.00 23.30 C ATOM 932 H MET A 91 0.747 10.816 -2.025 1.00 0.00 H ATOM 933 N GLY A 92 2.319 12.920 -3.869 1.00 32.45 N ATOM 934 CA GLY A 92 2.542 13.858 -4.967 1.00 29.05 C ATOM 935 C GLY A 92 2.061 15.266 -4.696 1.00 25.32 C ATOM 936 O GLY A 92 2.776 16.214 -4.927 1.00 25.14 O ATOM 937 H GLY A 92 1.753 12.065 -4.044 1.00 0.00 H ATOM 938 N GLN A 93 0.838 15.396 -4.217 1.00 26.65 N ATOM 939 CA GLN A 93 0.295 16.690 -3.841 1.00 32.18 C ATOM 940 C GLN A 93 1.083 17.279 -2.672 1.00 25.69 C ATOM 941 O GLN A 93 1.430 18.457 -2.677 1.00 23.90 O ATOM 942 CB GLN A 93 -1.196 16.553 -3.497 1.00 33.37 C ATOM 943 CG GLN A 93 -2.084 16.375 -4.730 1.00 41.84 C ATOM 944 CD GLN A 93 -3.350 15.550 -4.465 1.00 46.22 C ATOM 945 OE1 GLN A 93 -3.785 15.388 -3.321 1.00 39.65 O ATOM 946 NE2 GLN A 93 -3.946 15.027 -5.537 1.00 48.92 N ATOM 947 HE22 GLN A 93 -3.547 15.187 -6.484 1.00 0.00 H ATOM 948 HE21 GLN A 93 -4.810 14.459 -5.426 1.00 0.00 H ATOM 949 H GLN A 93 0.246 14.548 -4.106 1.00 0.00 H ATOM 950 N LEU A 94 1.428 16.441 -1.697 1.00 24.12 N ATOM 951 CA LEU A 94 2.104 16.936 -0.529 1.00 20.97 C ATOM 952 C LEU A 94 3.455 17.453 -0.960 1.00 19.80 C ATOM 953 O LEU A 94 3.908 18.499 -0.510 1.00 19.60 O ATOM 954 CB LEU A 94 2.278 15.838 0.524 1.00 24.50 C ATOM 955 CG LEU A 94 2.558 16.374 1.919 1.00 24.34 C ATOM 956 CD1 LEU A 94 1.355 17.167 2.409 1.00 25.13 C ATOM 957 CD2 LEU A 94 2.896 15.237 2.874 1.00 25.47 C ATOM 958 H LEU A 94 1.208 15.428 -1.780 1.00 0.00 H ATOM 959 N TYR A 95 4.064 16.737 -1.886 1.00 21.70 N ATOM 960 CA TYR A 95 5.369 17.117 -2.401 1.00 23.36 C ATOM 961 C TYR A 95 5.265 18.454 -3.147 1.00 25.31 C ATOM 962 O TYR A 95 6.128 19.302 -3.022 1.00 24.95 O ATOM 963 CB TYR A 95 5.912 16.025 -3.336 1.00 23.32 C ATOM 964 CG TYR A 95 7.211 16.420 -4.001 1.00 22.35 C ATOM 965 CD1 TYR A 95 8.437 16.175 -3.391 1.00 25.58 C ATOM 966 CD2 TYR A 95 7.206 17.081 -5.213 1.00 24.24 C ATOM 967 CE1 TYR A 95 9.629 16.546 -3.994 1.00 23.56 C ATOM 968 CE2 TYR A 95 8.375 17.560 -5.770 1.00 24.68 C ATOM 969 CZ TYR A 95 9.581 17.250 -5.196 1.00 25.17 C ATOM 970 OH TYR A 95 10.720 17.704 -5.825 1.00 27.15 O ATOM 971 HH TYR A 95 11.516 17.414 -5.313 1.00 0.00 H ATOM 972 H TYR A 95 3.600 15.882 -2.255 1.00 0.00 H ATOM 973 N GLN A 96 4.206 18.663 -3.916 1.00 29.43 N ATOM 974 CA GLN A 96 4.184 19.877 -4.736 1.00 31.44 C ATOM 975 C GLN A 96 3.968 21.109 -3.873 1.00 30.84 C ATOM 976 O GLN A 96 4.716 22.082 -3.998 1.00 29.82 O ATOM 977 CB GLN A 96 3.180 19.801 -5.880 1.00 30.62 C ATOM 978 CG GLN A 96 3.611 18.852 -7.005 1.00 37.34 C ATOM 979 CD GLN A 96 4.921 19.233 -7.710 1.00 34.34 C ATOM 980 OE1 GLN A 96 5.594 20.215 -7.369 1.00 35.56 O ATOM 981 NE2 GLN A 96 5.289 18.435 -8.703 1.00 39.29 N ATOM 982 HE22 GLN A 96 4.698 17.619 -8.961 1.00 0.00 H ATOM 983 HE21 GLN A 96 6.169 18.625 -9.224 1.00 0.00 H ATOM 984 H GLN A 96 3.416 17.987 -3.937 1.00 0.00 H ATOM 985 N GLU A 97 3.173 20.938 -2.827 1.00 23.07 N ATOM 986 CA GLU A 97 2.942 21.993 -1.854 1.00 28.02 C ATOM 987 C GLU A 97 4.156 22.281 -0.967 1.00 32.71 C ATOM 988 O GLU A 97 4.413 23.433 -0.598 1.00 24.40 O ATOM 989 CB GLU A 97 1.731 21.659 -0.983 1.00 33.41 C ATOM 990 CG GLU A 97 1.070 22.904 -0.396 1.00 42.53 C ATOM 991 CD GLU A 97 0.231 22.636 0.848 1.00 44.41 C ATOM 992 OE1 GLU A 97 -0.394 21.554 0.967 1.00 45.83 O ATOM 993 OE2 GLU A 97 0.146 23.555 1.689 1.00 54.40 O ATOM 994 H GLU A 97 2.700 20.021 -2.698 1.00 0.00 H ATOM 995 N HIS A 98 4.867 21.233 -0.563 1.00 29.20 N ATOM 996 CA HIS A 98 5.747 21.374 0.562 1.00 25.67 C ATOM 997 C HIS A 98 7.220 21.172 0.252 1.00 23.62 C ATOM 998 O HIS A 98 8.044 21.462 1.122 1.00 24.84 O ATOM 999 CB HIS A 98 5.310 20.475 1.735 1.00 24.24 C ATOM 1000 CG HIS A 98 4.061 20.938 2.431 1.00 27.76 C ATOM 1001 ND1 HIS A 98 3.981 22.132 3.112 1.00 25.36 N ATOM 1002 CD2 HIS A 98 2.847 20.350 2.570 1.00 27.93 C ATOM 1003 CE1 HIS A 98 2.761 22.280 3.608 1.00 27.33 C ATOM 1004 NE2 HIS A 98 2.049 21.217 3.285 1.00 25.67 N ATOM 1005 H HIS A 98 4.787 20.321 -1.057 1.00 0.00 H ATOM 1006 N HIS A 99 7.593 20.684 -0.931 1.00 21.31 N ATOM 1007 CA HIS A 99 9.036 20.382 -1.120 1.00 23.36 C ATOM 1008 C HIS A 99 9.842 21.645 -0.937 1.00 22.02 C ATOM 1009 O HIS A 99 9.404 22.708 -1.322 1.00 22.32 O ATOM 1010 CB HIS A 99 9.362 19.748 -2.484 1.00 24.17 C ATOM 1011 CG HIS A 99 9.173 20.674 -3.643 1.00 29.77 C ATOM 1012 ND1 HIS A 99 7.940 20.897 -4.221 1.00 32.23 N ATOM 1013 CD2 HIS A 99 10.052 21.449 -4.323 1.00 33.20 C ATOM 1014 CE1 HIS A 99 8.066 21.784 -5.196 1.00 37.58 C ATOM 1015 NE2 HIS A 99 9.335 22.146 -5.268 1.00 32.88 N ATOM 1016 H HIS A 99 6.902 20.521 -1.691 1.00 0.00 H ATOM 1017 N GLU A 100 11.056 21.507 -0.401 1.00 24.29 N ATOM 1018 CA GLU A 100 11.958 22.627 -0.217 1.00 28.75 C ATOM 1019 C GLU A 100 12.747 22.891 -1.486 1.00 32.45 C ATOM 1020 O GLU A 100 12.501 22.293 -2.536 1.00 34.34 O ATOM 1021 CB GLU A 100 12.932 22.358 0.932 1.00 23.26 C ATOM 1022 CG GLU A 100 12.256 21.990 2.244 1.00 27.94 C ATOM 1023 CD GLU A 100 13.146 22.115 3.468 1.00 30.02 C ATOM 1024 OE1 GLU A 100 14.380 22.177 3.313 1.00 39.11 O ATOM 1025 OE2 GLU A 100 12.617 22.091 4.600 1.00 32.31 O ATOM 1026 H GLU A 100 11.367 20.560 -0.104 1.00 0.00 H ATOM 1027 N GLU A 101 13.690 23.817 -1.381 1.00 34.50 N ATOM 1028 CA GLU A 101 14.445 24.289 -2.534 1.00 42.68 C ATOM 1029 C GLU A 101 15.448 23.263 -3.034 1.00 39.04 C ATOM 1030 O GLU A 101 16.032 23.447 -4.101 1.00 40.33 O ATOM 1031 CB GLU A 101 15.193 25.582 -2.183 1.00 44.14 C ATOM 1032 CG GLU A 101 14.300 26.812 -2.144 1.00 46.70 C ATOM 1033 CD GLU A 101 13.445 26.943 -3.383 1.00 47.93 C ATOM 1034 OE1 GLU A 101 13.953 26.682 -4.502 1.00 50.21 O ATOM 1035 OE2 GLU A 101 12.255 27.282 -3.234 1.00 53.05 O ATOM 1036 H GLU A 101 13.898 24.220 -0.445 1.00 0.00 H ATOM 1037 N ASP A 102 15.629 22.177 -2.284 1.00 34.98 N ATOM 1038 CA ASP A 102 16.506 21.097 -2.733 1.00 35.12 C ATOM 1039 C ASP A 102 15.722 19.990 -3.472 1.00 35.56 C ATOM 1040 O ASP A 102 16.272 18.926 -3.793 1.00 26.90 O ATOM 1041 CB ASP A 102 17.302 20.532 -1.550 1.00 30.17 C ATOM 1042 CG ASP A 102 16.417 19.906 -0.490 1.00 28.88 C ATOM 1043 OD1 ASP A 102 15.163 19.916 -0.649 1.00 31.31 O ATOM 1044 OD2 ASP A 102 16.979 19.454 0.530 1.00 34.26 O ATOM 1045 H ASP A 102 15.141 22.097 -1.369 1.00 0.00 H ATOM 1046 N PHE A 103 14.448 20.268 -3.752 1.00 29.89 N ATOM 1047 CA PHE A 103 13.530 19.321 -4.394 1.00 33.70 C ATOM 1048 C PHE A 103 13.191 18.080 -3.549 1.00 29.91 C ATOM 1049 O PHE A 103 12.516 17.175 -4.035 1.00 25.82 O ATOM 1050 CB PHE A 103 14.050 18.894 -5.776 1.00 43.16 C ATOM 1051 CG PHE A 103 14.042 19.994 -6.804 1.00 54.53 C ATOM 1052 CD1 PHE A 103 15.142 20.830 -6.957 1.00 59.61 C ATOM 1053 CD2 PHE A 103 12.971 20.141 -7.676 1.00 64.80 C ATOM 1054 CE1 PHE A 103 15.141 21.835 -7.908 1.00 59.90 C ATOM 1055 CE2 PHE A 103 12.966 21.144 -8.632 1.00 70.79 C ATOM 1056 CZ PHE A 103 14.053 21.991 -8.748 1.00 69.80 C ATOM 1057 H PHE A 103 14.085 21.210 -3.501 1.00 0.00 H ATOM 1058 N PHE A 104 13.543 18.088 -2.264 1.00 27.80 N ATOM 1059 CA PHE A 104 13.049 17.076 -1.342 1.00 26.31 C ATOM 1060 C PHE A 104 11.876 17.550 -0.509 1.00 23.13 C ATOM 1061 O PHE A 104 11.789 18.717 -0.124 1.00 21.78 O ATOM 1062 CB PHE A 104 14.139 16.580 -0.400 1.00 25.75 C ATOM 1063 CG PHE A 104 15.291 15.934 -1.097 1.00 27.02 C ATOM 1064 CD1 PHE A 104 15.100 15.211 -2.255 1.00 26.04 C ATOM 1065 CD2 PHE A 104 16.576 16.115 -0.633 1.00 29.68 C ATOM 1066 CE1 PHE A 104 16.170 14.645 -2.919 1.00 27.19 C ATOM 1067 CE2 PHE A 104 17.648 15.553 -1.292 1.00 32.49 C ATOM 1068 CZ PHE A 104 17.447 14.837 -2.452 1.00 27.89 C ATOM 1069 H PHE A 104 14.182 18.830 -1.914 1.00 0.00 H ATOM 1070 N LEU A 105 11.060 16.575 -0.133 1.00 20.98 N ATOM 1071 CA LEU A 105 10.067 16.716 0.896 1.00 18.35 C ATOM 1072 C LEU A 105 10.522 16.137 2.227 1.00 18.81 C ATOM 1073 O LEU A 105 10.852 14.949 2.324 1.00 20.05 O ATOM 1074 CB LEU A 105 8.807 15.986 0.445 1.00 19.66 C ATOM 1075 CG LEU A 105 7.678 16.048 1.456 1.00 21.75 C ATOM 1076 CD1 LEU A 105 7.199 17.487 1.608 1.00 23.99 C ATOM 1077 CD2 LEU A 105 6.548 15.130 0.997 1.00 23.73 C ATOM 1078 H LEU A 105 11.143 15.655 -0.610 1.00 0.00 H ATOM 1079 N TYR A 106 10.435 16.962 3.263 1.00 19.38 N ATOM 1080 CA TYR A 106 10.853 16.624 4.599 1.00 19.90 C ATOM 1081 C TYR A 106 9.669 16.346 5.527 1.00 19.79 C ATOM 1082 O TYR A 106 8.866 17.235 5.812 1.00 24.96 O ATOM 1083 CB TYR A 106 11.724 17.752 5.167 1.00 23.57 C ATOM 1084 CG TYR A 106 13.072 17.884 4.471 1.00 23.61 C ATOM 1085 CD1 TYR A 106 13.212 18.650 3.329 1.00 25.21 C ATOM 1086 CD2 TYR A 106 14.187 17.215 4.942 1.00 28.01 C ATOM 1087 CE1 TYR A 106 14.420 18.749 2.668 1.00 27.30 C ATOM 1088 CE2 TYR A 106 15.403 17.288 4.275 1.00 25.21 C ATOM 1089 CZ TYR A 106 15.524 18.069 3.164 1.00 29.25 C ATOM 1090 OH TYR A 106 16.728 18.112 2.482 1.00 26.91 O ATOM 1091 HH TYR A 106 16.645 18.722 1.707 1.00 0.00 H ATOM 1092 H TYR A 106 10.041 17.911 3.100 1.00 0.00 H ATOM 1093 N ILE A 107 9.671 15.162 6.135 1.00 16.96 N ATOM 1094 CA ILE A 107 8.680 14.804 7.129 1.00 18.34 C ATOM 1095 C ILE A 107 9.345 14.434 8.456 1.00 20.24 C ATOM 1096 O ILE A 107 10.288 13.617 8.523 1.00 20.90 O ATOM 1097 CB ILE A 107 7.778 13.655 6.617 1.00 19.30 C ATOM 1098 CG1 ILE A 107 7.195 14.004 5.262 1.00 21.23 C ATOM 1099 CG2 ILE A 107 6.692 13.283 7.634 1.00 21.26 C ATOM 1100 CD1 ILE A 107 6.128 13.027 4.792 1.00 21.77 C ATOM 1101 H ILE A 107 10.408 14.471 5.888 1.00 0.00 H ATOM 1102 N ALA A 108 8.928 15.145 9.496 1.00 18.64 N ATOM 1103 CA ALA A 108 9.364 14.869 10.845 1.00 18.89 C ATOM 1104 C ALA A 108 8.325 13.982 11.508 1.00 19.63 C ATOM 1105 O ALA A 108 7.133 14.140 11.240 1.00 17.95 O ATOM 1106 CB ALA A 108 9.553 16.188 11.607 1.00 19.74 C ATOM 1107 H ALA A 108 8.264 15.929 9.334 1.00 0.00 H ATOM 1108 N TYR A 109 8.762 12.975 12.275 1.00 19.30 N ATOM 1109 CA TYR A 109 7.815 12.108 12.966 1.00 21.61 C ATOM 1110 C TYR A 109 8.031 12.124 14.474 1.00 23.06 C ATOM 1111 O TYR A 109 9.089 12.541 14.996 1.00 21.50 O ATOM 1112 CB TYR A 109 7.784 10.672 12.377 1.00 22.18 C ATOM 1113 CG TYR A 109 8.914 9.747 12.797 1.00 22.18 C ATOM 1114 CD1 TYR A 109 10.088 9.683 12.057 1.00 26.41 C ATOM 1115 CD2 TYR A 109 8.766 8.861 13.856 1.00 23.65 C ATOM 1116 CE1 TYR A 109 11.119 8.822 12.407 1.00 27.26 C ATOM 1117 CE2 TYR A 109 9.775 7.970 14.194 1.00 23.58 C ATOM 1118 CZ TYR A 109 10.977 8.004 13.506 1.00 28.42 C ATOM 1119 OH TYR A 109 12.013 7.139 13.825 1.00 32.46 O ATOM 1120 HH TYR A 109 12.284 7.283 14.766 1.00 0.00 H ATOM 1121 H TYR A 109 9.784 12.810 12.378 1.00 0.00 H ATOM 1122 N SER A 110 6.948 11.897 15.176 1.00 19.36 N ATOM 1123 CA SER A 110 6.987 11.939 16.621 1.00 22.94 C ATOM 1124 C SER A 110 5.888 11.133 17.273 1.00 25.03 C ATOM 1125 O SER A 110 4.917 10.702 16.616 1.00 23.37 O ATOM 1126 CB SER A 110 6.960 13.394 17.098 1.00 26.30 C ATOM 1127 OG SER A 110 6.994 13.457 18.497 1.00 31.27 O ATOM 1128 HG SER A 110 6.976 14.404 18.784 1.00 0.00 H ATOM 1129 H SER A 110 6.053 11.685 14.690 1.00 0.00 H ATOM 1130 N ASP A 111 6.069 10.905 18.578 1.00 26.82 N ATOM 1131 CA ASP A 111 5.060 10.259 19.425 1.00 31.82 C ATOM 1132 C ASP A 111 3.936 11.189 19.942 1.00 29.13 C ATOM 1133 O ASP A 111 2.885 10.716 20.373 1.00 25.64 O ATOM 1134 CB ASP A 111 5.749 9.529 20.601 1.00 31.22 C ATOM 1135 CG ASP A 111 6.577 10.466 21.500 1.00 31.85 C ATOM 1136 OD1 ASP A 111 7.605 11.026 21.059 1.00 35.24 O ATOM 1137 OD2 ASP A 111 6.287 10.503 22.710 1.00 42.10 O ATOM 1138 H ASP A 111 6.967 11.199 19.013 1.00 0.00 H ATOM 1139 N GLU A 112 4.125 12.495 19.835 1.00 25.15 N ATOM 1140 CA GLU A 112 3.260 13.441 20.538 1.00 24.60 C ATOM 1141 C GLU A 112 2.869 14.545 19.588 1.00 23.09 C ATOM 1142 O GLU A 112 3.616 14.851 18.678 1.00 21.55 O ATOM 1143 CB GLU A 112 3.948 14.014 21.783 1.00 25.24 C ATOM 1144 CG GLU A 112 5.352 14.555 21.500 1.00 24.45 C ATOM 1145 CD GLU A 112 5.969 15.361 22.656 1.00 30.78 C ATOM 1146 OE1 GLU A 112 5.398 15.399 23.769 1.00 33.72 O ATOM 1147 OE2 GLU A 112 7.099 15.880 22.472 1.00 37.16 O ATOM 1148 H GLU A 112 4.901 12.853 19.242 1.00 0.00 H ATOM 1149 N SER A 113 1.652 15.091 19.747 1.00 23.48 N ATOM 1150 CA SER A 113 1.255 16.281 18.983 1.00 24.28 C ATOM 1151 C SER A 113 1.799 17.587 19.620 1.00 27.69 C ATOM 1152 O SER A 113 1.052 18.471 20.063 1.00 24.17 O ATOM 1153 CB SER A 113 -0.270 16.305 18.835 1.00 24.09 C ATOM 1154 OG SER A 113 -0.869 16.151 20.099 1.00 25.97 O ATOM 1155 HG SER A 113 -0.583 16.892 20.691 1.00 0.00 H ATOM 1156 H SER A 113 0.982 14.666 20.420 1.00 0.00 H ATOM 1157 N VAL A 114 3.128 17.656 19.699 1.00 30.49 N ATOM 1158 CA VAL A 114 3.850 18.796 20.250 1.00 27.44 C ATOM 1159 C VAL A 114 5.067 18.968 19.366 1.00 30.10 C ATOM 1160 O VAL A 114 5.721 17.992 19.000 1.00 32.56 O ATOM 1161 CB VAL A 114 4.347 18.524 21.675 1.00 26.60 C ATOM 1162 CG1 VAL A 114 4.970 19.764 22.284 1.00 33.95 C ATOM 1163 CG2 VAL A 114 3.233 17.992 22.536 1.00 24.19 C ATOM 1164 H VAL A 114 3.682 16.849 19.347 1.00 0.00 H ATOM 1165 N TYR A 115 5.349 20.194 18.970 1.00 26.60 N ATOM 1166 CA TYR A 115 6.305 20.407 17.929 1.00 28.07 C ATOM 1167 C TYR A 115 6.904 21.777 18.031 1.00 32.84 C ATOM 1168 O TYR A 115 6.184 22.754 18.224 1.00 33.54 O ATOM 1169 CB TYR A 115 5.644 20.208 16.564 1.00 31.48 C ATOM 1170 CG TYR A 115 6.635 20.164 15.429 1.00 30.14 C ATOM 1171 CD1 TYR A 115 7.538 19.116 15.328 1.00 28.80 C ATOM 1172 CD2 TYR A 115 6.723 21.205 14.498 1.00 32.71 C ATOM 1173 CE1 TYR A 115 8.471 19.076 14.322 1.00 29.00 C ATOM 1174 CE2 TYR A 115 7.671 21.173 13.483 1.00 37.47 C ATOM 1175 CZ TYR A 115 8.513 20.075 13.380 1.00 35.10 C ATOM 1176 OH TYR A 115 9.455 19.982 12.380 1.00 42.39 O ATOM 1177 HH TYR A 115 9.003 20.004 11.499 1.00 0.00 H ATOM 1178 H TYR A 115 4.876 21.006 19.415 1.00 0.00 H ATOM 1179 N GLY A 116 8.227 21.847 17.899 1.00 30.24 N ATOM 1180 CA GLY A 116 8.960 23.101 18.017 1.00 38.63 C ATOM 1181 C GLY A 116 10.348 22.923 18.623 1.00 38.55 C ATOM 1182 O GLY A 116 10.664 21.864 19.183 1.00 43.30 O ATOM 1183 H GLY A 116 8.757 20.974 17.704 1.00 0.00 H TER 1184 GLY A 116 HETATM 1185 O HOH 1 -7.827 14.148 4.734 1.00 45.83 O HETATM 1186 O HOH 2 19.324 -0.292 7.556 1.00 40.04 O HETATM 1187 O HOH 3 10.183 18.280 -9.230 1.00 38.44 O HETATM 1188 O HOH 4 21.169 7.557 -2.585 1.00 37.18 O HETATM 1189 O HOH 5 14.099 25.424 1.056 1.00 45.04 O HETATM 1190 O HOH 6 13.333 0.447 15.246 1.00 56.39 O HETATM 1191 O HOH 7 2.616 6.497 22.044 1.00 29.05 O HETATM 1192 O HOH 8 7.894 7.945 24.791 1.00 29.46 O HETATM 1193 O HOH 9 16.476 5.218 20.350 1.00 40.51 O HETATM 1194 O HOH 10 9.240 20.420 -8.467 1.00 42.83 O HETATM 1195 O HOH 11 16.854 1.092 13.438 1.00 34.23 O HETATM 1196 O HOH 12 14.843 -0.366 13.261 1.00 25.93 O HETATM 1197 O HOH 13 7.621 10.330 26.528 1.00 29.65 O HETATM 1198 O HOH 14 9.600 19.738 2.811 1.00 20.32 O HETATM 1199 O HOH 15 9.200 19.767 6.882 1.00 20.59 O HETATM 1200 O HOH 16 0.108 12.615 11.611 1.00 28.46 O HETATM 1201 O HOH 17 -2.577 18.277 20.276 1.00 28.97 O HETATM 1202 O HOH 18 11.497 11.583 -8.041 1.00 25.76 O HETATM 1203 O HOH 19 15.197 9.669 12.657 1.00 27.80 O HETATM 1204 O HOH 20 5.862 24.708 16.429 1.00 26.07 O HETATM 1205 O HOH 21 10.168 21.427 5.031 1.00 24.26 O HETATM 1206 O HOH 22 17.588 12.242 -14.019 1.00 31.12 O HETATM 1207 O HOH 23 9.084 18.383 18.389 1.00 40.23 O HETATM 1208 O HOH 24 -2.230 12.890 13.107 1.00 24.98 O HETATM 1209 O HOH 25 0.033 1.534 3.594 1.00 37.72 O HETATM 1210 O HOH 26 8.290 21.182 9.920 1.00 28.23 O HETATM 1211 O HOH 27 -0.168 20.021 3.739 1.00 37.37 O HETATM 1212 O HOH 28 8.706 7.369 -12.143 1.00 29.39 O HETATM 1213 O HOH 29 8.124 4.673 -10.807 1.00 40.98 O HETATM 1214 O HOH 30 21.842 12.242 7.144 1.00 38.01 O HETATM 1215 O HOH 31 0.872 -0.112 14.856 1.00 35.55 O HETATM 1216 O HOH 32 4.614 6.093 20.049 1.00 40.80 O HETATM 1217 O HOH 33 20.987 11.270 -0.328 1.00 37.99 O HETATM 1218 O HOH 34 15.102 8.505 9.954 1.00 30.14 O HETATM 1219 O HOH 35 7.618 16.323 18.998 1.00 44.61 O HETATM 1220 O HOH 36 -5.168 5.601 5.171 1.00 32.43 O HETATM 1221 O HOH 37 -0.980 12.010 9.179 1.00 51.24 O HETATM 1222 O HOH 38 12.031 24.158 23.357 1.00 46.41 O HETATM 1223 O HOH 39 4.381 9.568 23.864 1.00 35.44 O HETATM 1224 O HOH 40 15.176 6.902 14.183 1.00 43.85 O HETATM 1225 O HOH 41 14.456 13.268 22.321 1.00 48.15 O HETATM 1226 O HOH 42 19.296 3.393 3.180 1.00 44.72 O HETATM 1227 O HOH 43 23.123 1.063 3.894 1.00 31.50 O HETATM 1228 O HOH 44 17.310 5.590 3.275 1.00 26.25 O HETATM 1229 N SER A 45 17.688 5.983 10.421 1.00 0.24 N HETATM 1230 CA SER A 45 18.915 6.818 10.241 1.00 0.09 C HETATM 1231 C SER A 45 19.916 6.358 9.159 1.00 0.23 C HETATM 1232 O SER A 45 20.852 7.095 8.857 1.00 -0.39 O HETATM 1233 N SER A 45 19.718 5.197 8.537 1.00 -0.26 N HETATM 1234 CA SER A 45 20.495 4.882 7.334 1.00 0.14 C HETATM 1235 C SER A 45 20.027 5.780 6.182 1.00 0.21 C HETATM 1236 O SER A 45 18.831 5.823 5.863 1.00 -0.39 O HETATM 1237 N SER A 45 20.965 6.519 5.592 1.00 -0.26 N HETATM 1238 CA SER A 45 20.688 7.362 4.434 1.00 0.14 C HETATM 1239 C SER A 45 21.511 7.003 3.177 1.00 0.21 C HETATM 1240 O SER A 45 21.692 7.839 2.304 1.00 -0.39 O HETATM 1241 N SER A 45 21.958 5.752 3.059 1.00 -0.26 N HETATM 1242 CA SER A 45 22.773 5.327 1.907 1.00 0.14 C HETATM 1243 C SER A 45 22.009 5.267 0.587 1.00 0.21 C HETATM 1244 O SER A 45 22.585 5.458 -0.474 1.00 -0.39 O HETATM 1245 N SER A 45 20.752 4.856 0.642 1.00 -0.26 N HETATM 1246 CA SER A 45 20.007 4.618 -0.571 1.00 0.14 C HETATM 1247 C SER A 45 18.537 4.909 -0.361 1.00 0.21 C HETATM 1248 O SER A 45 18.055 4.970 0.771 1.00 -0.39 O HETATM 1249 N SER A 45 17.853 5.119 -1.473 1.00 -0.26 N HETATM 1250 CA SER A 45 16.449 5.429 -1.477 1.00 0.14 C HETATM 1251 C SER A 45 15.665 4.139 -1.510 1.00 0.21 C HETATM 1252 O SER A 45 15.832 3.335 -2.422 1.00 -0.39 O HETATM 1253 N SER A 45 14.678 4.048 -0.631 1.00 -0.26 N HETATM 1254 CA SER A 45 13.837 2.892 -0.523 1.00 0.13 C HETATM 1255 C SER A 45 12.775 2.982 -1.605 1.00 0.20 C HETATM 1256 O SER A 45 12.007 3.948 -1.642 1.00 -0.39 O HETATM 1257 N SER A 45 12.817 2.077 -2.576 1.00 -0.26 N HETATM 1258 CA SER A 45 11.808 2.107 -3.623 1.00 0.13 C HETATM 1259 C SER A 45 10.538 1.544 -3.063 1.00 0.20 C HETATM 1260 O SER A 45 10.396 0.343 -2.984 1.00 -0.39 O HETATM 1261 N SER A 45 9.599 2.406 -2.703 1.00 -0.26 N HETATM 1262 CA SER A 45 8.282 1.965 -2.255 1.00 0.13 C HETATM 1263 C SER A 45 7.361 1.395 -3.364 1.00 0.20 C HETATM 1264 O SER A 45 7.067 2.053 -4.364 1.00 -0.39 O HETATM 1265 N SER A 45 6.762 0.240 -3.095 1.00 -0.26 N HETATM 1266 CA SER A 45 5.871 -0.399 -4.063 1.00 0.13 C HETATM 1267 C SER A 45 4.633 0.474 -4.311 1.00 0.21 C HETATM 1268 O SER A 45 4.069 1.027 -3.372 1.00 -0.39 O HETATM 1269 N SER A 45 4.183 0.569 -5.572 1.00 -0.26 N HETATM 1270 CA SER A 45 2.912 1.255 -5.838 1.00 0.10 C HETATM 1271 C SER A 45 1.677 0.405 -5.523 1.00 0.06 C HETATM 1272 O SER A 45 1.808 -0.739 -5.081 1.00 -0.57 O HETATM 1273 OXT SER A 45 0.546 0.861 -5.710 1.00 -0.57 O HETATM 1274 CB SER A 45 2.991 1.576 -7.331 1.00 -0.02 C HETATM 1275 CG SER A 45 3.910 0.548 -7.901 1.00 -0.03 C HETATM 1276 CD SER A 45 4.837 0.093 -6.805 1.00 0.04 C HETATM 1277 H80 SER A 45 4.931 -1.003 -6.801 1.00 0.05 H HETATM 1278 H81 SER A 45 5.833 0.546 -6.921 1.00 0.05 H HETATM 1279 H78 SER A 45 4.493 0.985 -8.726 1.00 0.03 H HETATM 1280 H79 SER A 45 3.328 -0.306 -8.276 1.00 0.03 H HETATM 1281 H76 SER A 45 3.397 2.586 -7.488 1.00 0.03 H HETATM 1282 H77 SER A 45 1.996 1.504 -7.795 1.00 0.03 H HETATM 1283 H75 SER A 45 2.856 2.182 -5.248 1.00 0.07 H HETATM 1284 CB SER A 45 5.454 -1.779 -3.557 1.00 -0.02 C HETATM 1285 H72 SER A 45 4.785 -2.252 -4.291 1.00 0.03 H HETATM 1286 H73 SER A 45 4.929 -1.674 -2.596 1.00 0.03 H HETATM 1287 H74 SER A 45 6.348 -2.405 -3.420 1.00 0.03 H HETATM 1288 H71 SER A 45 6.412 -0.520 -5.013 1.00 0.08 H HETATM 1289 H70 SER A 45 6.924 -0.202 -2.212 1.00 0.19 H HETATM 1290 CB SER A 45 7.544 3.121 -1.556 1.00 -0.01 C HETATM 1291 CG1 SER A 45 6.187 2.644 -1.064 1.00 -0.06 C HETATM 1292 H64 SER A 45 5.665 3.474 -0.566 1.00 0.02 H HETATM 1293 H65 SER A 45 6.325 1.817 -0.351 1.00 0.02 H HETATM 1294 H66 SER A 45 5.589 2.295 -1.919 1.00 0.02 H HETATM 1295 CG2 SER A 45 8.358 3.684 -0.395 1.00 -0.06 C HETATM 1296 H67 SER A 45 9.336 4.025 -0.764 1.00 0.02 H HETATM 1297 H68 SER A 45 8.505 2.901 0.363 1.00 0.02 H HETATM 1298 H69 SER A 45 7.819 4.532 0.053 1.00 0.02 H HETATM 1299 H63 SER A 45 7.388 3.926 -2.289 1.00 0.03 H HETATM 1300 H62 SER A 45 8.444 1.163 -1.520 1.00 0.08 H HETATM 1301 H61 SER A 45 9.798 3.385 -2.739 1.00 0.19 H HETATM 1302 CB SER A 45 12.237 1.297 -4.854 1.00 -0.01 C HETATM 1303 CG SER A 45 11.224 1.358 -6.001 1.00 -0.02 C HETATM 1304 CD SER A 45 11.600 0.414 -7.132 1.00 0.06 C HETATM 1305 NE SER A 45 12.818 0.866 -7.801 1.00 -0.27 N HETATM 1306 CZ SER A 45 14.003 0.288 -7.674 1.00 0.29 C HETATM 1307 NH1 SER A 45 14.130 -0.824 -6.961 1.00 -0.28 N HETATM 1308 H57 SER A 45 15.053 -1.271 -6.864 1.00 0.26 H HETATM 1309 H58 SER A 45 13.306 -1.240 -6.505 1.00 0.26 H HETATM 1310 NH2 SER A 45 15.055 0.805 -8.299 1.00 -0.28 N HETATM 1311 H59 SER A 45 14.953 1.668 -8.851 1.00 0.26 H HETATM 1312 H60 SER A 45 15.973 0.343 -8.231 1.00 0.26 H HETATM 1313 H56 SER A 45 12.750 1.691 -8.414 1.00 0.26 H HETATM 1314 H54 SER A 45 10.778 0.381 -7.862 1.00 0.07 H HETATM 1315 H55 SER A 45 11.766 -0.593 -6.721 1.00 0.07 H HETATM 1316 H52 SER A 45 11.188 2.386 -6.391 1.00 0.03 H HETATM 1317 H53 SER A 45 10.232 1.077 -5.617 1.00 0.03 H HETATM 1318 H50 SER A 45 12.363 0.246 -4.554 1.00 0.03 H HETATM 1319 H51 SER A 45 13.198 1.693 -5.215 1.00 0.03 H HETATM 1320 H49 SER A 45 11.641 3.150 -3.929 1.00 0.08 H HETATM 1321 H48 SER A 45 13.536 1.382 -2.587 1.00 0.19 H HETATM 1322 CB SER A 45 13.161 2.878 0.853 1.00 -0.01 C HETATM 1323 CG1 SER A 45 12.010 1.880 0.880 1.00 -0.06 C HETATM 1324 H42 SER A 45 11.541 1.888 1.875 1.00 0.02 H HETATM 1325 H43 SER A 45 12.393 0.872 0.663 1.00 0.02 H HETATM 1326 H44 SER A 45 11.264 2.160 0.121 1.00 0.02 H HETATM 1327 CG2 SER A 45 14.190 2.617 1.938 1.00 -0.06 C HETATM 1328 H45 SER A 45 14.993 3.365 1.869 1.00 0.02 H HETATM 1329 H46 SER A 45 14.614 1.611 1.807 1.00 0.02 H HETATM 1330 H47 SER A 45 13.708 2.686 2.925 1.00 0.02 H HETATM 1331 H41 SER A 45 12.736 3.877 1.032 1.00 0.03 H HETATM 1332 H40 SER A 45 14.434 1.977 -0.654 1.00 0.08 H HETATM 1333 H39 SER A 45 14.512 4.819 -0.016 1.00 0.19 H HETATM 1334 CB SER A 45 16.099 6.237 -2.732 1.00 0.00 C HETATM 1335 CG SER A 45 16.696 7.584 -2.761 1.00 -0.04 C HETATM 1336 CD1 SER A 45 17.870 7.943 -3.343 1.00 0.02 C HETATM 1337 NE1 SER A 45 18.089 9.279 -3.177 1.00 -0.29 N HETATM 1338 CE2 SER A 45 17.058 9.815 -2.456 1.00 0.06 C HETATM 1339 CD2 SER A 45 16.144 8.778 -2.202 1.00 -0.02 C HETATM 1340 CE3 SER A 45 14.967 9.074 -1.524 1.00 -0.07 C HETATM 1341 CZ3 SER A 45 14.776 10.378 -1.065 1.00 -0.08 C HETATM 1342 CH2 SER A 45 15.689 11.388 -1.367 1.00 -0.08 C HETATM 1343 CZ2 SER A 45 16.834 11.126 -2.053 1.00 -0.04 C HETATM 1344 H36 SER A 45 17.546 11.912 -2.277 1.00 0.05 H HETATM 1345 H38 SER A 45 15.482 12.403 -1.048 1.00 0.05 H HETATM 1346 H37 SER A 45 13.904 10.610 -0.464 1.00 0.05 H HETATM 1347 H35 SER A 45 14.216 8.311 -1.356 1.00 0.05 H HETATM 1348 H34 SER A 45 18.901 9.801 -3.537 1.00 0.22 H HETATM 1349 H33 SER A 45 18.540 7.262 -3.866 1.00 0.08 H HETATM 1350 H31 SER A 45 15.005 6.342 -2.783 1.00 0.04 H HETATM 1351 H32 SER A 45 16.455 5.681 -3.612 1.00 0.04 H HETATM 1352 H30 SER A 45 16.192 6.005 -0.576 1.00 0.08 H HETATM 1353 H29 SER A 45 18.333 5.060 -2.349 1.00 0.19 H HETATM 1354 CB SER A 45 20.204 3.177 -1.068 1.00 0.02 C HETATM 1355 CG SER A 45 19.665 2.127 -0.151 1.00 -0.04 C HETATM 1356 CD1 SER A 45 18.328 1.748 -0.212 1.00 -0.06 C HETATM 1357 CE1 SER A 45 17.832 0.748 0.614 1.00 -0.07 C HETATM 1358 CZ SER A 45 18.692 0.074 1.467 1.00 -0.07 C HETATM 1359 CE2 SER A 45 20.032 0.431 1.524 1.00 -0.07 C HETATM 1360 CD2 SER A 45 20.517 1.428 0.694 1.00 -0.06 C HETATM 1361 H25 SER A 45 21.575 1.666 0.704 1.00 0.06 H HETATM 1362 H27 SER A 45 20.698 -0.070 2.217 1.00 0.06 H HETATM 1363 H28 SER A 45 18.318 -0.731 2.089 1.00 0.06 H HETATM 1364 H26 SER A 45 16.778 0.496 0.592 1.00 0.06 H HETATM 1365 H24 SER A 45 17.664 2.240 -0.914 1.00 0.06 H HETATM 1366 H22 SER A 45 21.282 3.002 -1.195 1.00 0.05 H HETATM 1367 H23 SER A 45 19.699 3.076 -2.040 1.00 0.05 H HETATM 1368 H21 SER A 45 20.386 5.302 -1.345 1.00 0.08 H HETATM 1369 H20 SER A 45 20.316 4.709 1.530 1.00 0.19 H HETATM 1370 CB SER A 45 23.375 3.951 2.172 1.00 0.04 C HETATM 1371 CG SER A 45 24.629 4.026 3.004 1.00 0.04 C HETATM 1372 OD1 SER A 45 25.176 5.141 3.156 1.00 -0.57 O HETATM 1373 OD2 SER A 45 25.060 2.974 3.505 1.00 -0.57 O HETATM 1374 H18 SER A 45 23.618 3.479 1.208 1.00 0.05 H HETATM 1375 H19 SER A 45 22.634 3.337 2.704 1.00 0.05 H HETATM 1376 H17 SER A 45 23.590 6.054 1.792 1.00 0.08 H HETATM 1377 H16 SER A 45 21.735 5.085 3.770 1.00 0.19 H HETATM 1378 CB SER A 45 20.953 8.814 4.804 1.00 0.04 C HETATM 1379 CG SER A 45 22.419 9.154 4.762 1.00 0.04 C HETATM 1380 OD1 SER A 45 23.220 8.215 4.632 1.00 -0.57 O HETATM 1381 OD2 SER A 45 22.759 10.350 4.791 1.00 -0.57 O HETATM 1382 H14 SER A 45 20.577 8.994 5.822 1.00 0.05 H HETATM 1383 H15 SER A 45 20.419 9.463 4.095 1.00 0.05 H HETATM 1384 H13 SER A 45 19.623 7.248 4.182 1.00 0.08 H HETATM 1385 H12 SER A 45 21.896 6.495 5.957 1.00 0.19 H HETATM 1386 CB SER A 45 20.363 3.400 6.955 1.00 0.04 C HETATM 1387 CG SER A 45 21.120 3.038 5.669 1.00 0.04 C HETATM 1388 OD1 SER A 45 22.124 3.705 5.345 1.00 -0.57 O HETATM 1389 OD2 SER A 45 20.720 2.066 4.982 1.00 -0.57 O HETATM 1390 H10 SER A 45 19.297 3.169 6.811 1.00 0.05 H HETATM 1391 H11 SER A 45 20.762 2.791 7.779 1.00 0.05 H HETATM 1392 H9 SER A 45 21.555 5.093 7.537 1.00 0.08 H HETATM 1393 H8 SER A 45 19.045 4.546 8.887 1.00 0.19 H HETATM 1394 CB SER A 45 19.645 7.015 11.580 1.00 0.10 C HETATM 1395 OG SER A 45 20.390 5.873 11.958 1.00 -0.39 O HETATM 1396 H7 SER A 45 20.823 6.039 12.787 1.00 0.21 H HETATM 1397 H5 SER A 45 18.900 7.226 12.361 1.00 0.06 H HETATM 1398 H6 SER A 45 20.331 7.870 11.487 1.00 0.06 H HETATM 1399 H4 SER A 45 18.558 7.807 9.920 1.00 0.11 H HETATM 1400 H1 SER A 45 17.115 6.380 11.149 1.00 0.20 H HETATM 1401 H2 SER A 45 17.954 5.045 10.677 1.00 0.20 H HETATM 1402 H3 SER A 45 17.167 5.961 9.558 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1229 1230 1400 1401 1402 CONECT 1230 1229 1231 1394 1399 CONECT 1231 1230 1232 1233 CONECT 1232 1231 CONECT 1233 1231 1234 1393 CONECT 1234 1233 1235 1386 1392 CONECT 1235 1234 1236 1237 CONECT 1236 1235 CONECT 1237 1235 1238 1385 CONECT 1238 1237 1239 1378 1384 CONECT 1239 1238 1240 1241 CONECT 1240 1239 CONECT 1241 1239 1242 1377 CONECT 1242 1241 1243 1370 1376 CONECT 1243 1242 1244 1245 CONECT 1244 1243 CONECT 1245 1243 1246 1369 CONECT 1246 1245 1247 1354 1368 CONECT 1247 1246 1248 1249 CONECT 1248 1247 CONECT 1249 1247 1250 1353 CONECT 1250 1249 1251 1334 1352 CONECT 1251 1250 1252 1253 CONECT 1252 1251 CONECT 1253 1251 1254 1333 CONECT 1254 1253 1255 1322 1332 CONECT 1255 1254 1256 1257 CONECT 1256 1255 CONECT 1257 1255 1258 1321 CONECT 1258 1257 1259 1302 1320 CONECT 1259 1258 1260 1261 CONECT 1260 1259 CONECT 1261 1259 1262 1301 CONECT 1262 1261 1263 1290 1300 CONECT 1263 1262 1264 1265 CONECT 1264 1263 CONECT 1265 1263 1266 1289 CONECT 1266 1265 1267 1284 1288 CONECT 1267 1266 1268 1269 CONECT 1268 1267 CONECT 1269 1267 1270 1276 CONECT 1270 1269 1271 1274 1283 CONECT 1271 1270 1272 1273 CONECT 1272 1271 CONECT 1273 1271 CONECT 1274 1270 1275 1281 1282 CONECT 1275 1274 1276 1279 1280 CONECT 1276 1269 1275 1277 1278 CONECT 1277 1276 CONECT 1278 1276 CONECT 1279 1275 CONECT 1280 1275 CONECT 1281 1274 CONECT 1282 1274 CONECT 1283 1270 CONECT 1284 1266 1285 1286 1287 CONECT 1285 1284 CONECT 1286 1284 CONECT 1287 1284 CONECT 1288 1266 CONECT 1289 1265 CONECT 1290 1262 1291 1295 1299 CONECT 1291 1290 1292 1293 1294 CONECT 1292 1291 CONECT 1293 1291 CONECT 1294 1291 CONECT 1295 1290 1296 1297 1298 CONECT 1296 1295 CONECT 1297 1295 CONECT 1298 1295 CONECT 1299 1290 CONECT 1300 1262 CONECT 1301 1261 CONECT 1302 1258 1303 1318 1319 CONECT 1303 1302 1304 1316 1317 CONECT 1304 1303 1305 1314 1315 CONECT 1305 1304 1306 1313 CONECT 1306 1305 1307 1310 CONECT 1307 1306 1308 1309 CONECT 1308 1307 CONECT 1309 1307 CONECT 1310 1306 1311 1312 CONECT 1311 1310 CONECT 1312 1310 CONECT 1313 1305 CONECT 1314 1304 CONECT 1315 1304 CONECT 1316 1303 CONECT 1317 1303 CONECT 1318 1302 CONECT 1319 1302 CONECT 1320 1258 CONECT 1321 1257 CONECT 1322 1254 1323 1327 1331 CONECT 1323 1322 1324 1325 1326 CONECT 1324 1323 CONECT 1325 1323 CONECT 1326 1323 CONECT 1327 1322 1328 1329 1330 CONECT 1328 1327 CONECT 1329 1327 CONECT 1330 1327 CONECT 1331 1322 CONECT 1332 1254 CONECT 1333 1253 CONECT 1334 1250 1335 1350 1351 CONECT 1335 1334 1336 1339 CONECT 1336 1335 1337 1349 CONECT 1337 1336 1338 1348 CONECT 1338 1337 1339 1343 CONECT 1339 1335 1338 1340 CONECT 1340 1339 1341 1347 CONECT 1341 1340 1342 1346 CONECT 1342 1341 1343 1345 CONECT 1343 1338 1342 1344 CONECT 1344 1343 CONECT 1345 1342 CONECT 1346 1341 CONECT 1347 1340 CONECT 1348 1337 CONECT 1349 1336 CONECT 1350 1334 CONECT 1351 1334 CONECT 1352 1250 CONECT 1353 1249 CONECT 1354 1246 1355 1366 1367 CONECT 1355 1354 1356 1360 CONECT 1356 1355 1357 1365 CONECT 1357 1356 1358 1364 CONECT 1358 1357 1359 1363 CONECT 1359 1358 1360 1362 CONECT 1360 1355 1359 1361 CONECT 1361 1360 CONECT 1362 1359 CONECT 1363 1358 CONECT 1364 1357 CONECT 1365 1356 CONECT 1366 1354 CONECT 1367 1354 CONECT 1368 1246 CONECT 1369 1245 CONECT 1370 1242 1371 1374 1375 CONECT 1371 1370 1372 1373 CONECT 1372 1371 CONECT 1373 1371 CONECT 1374 1370 CONECT 1375 1370 CONECT 1376 1242 CONECT 1377 1241 CONECT 1378 1238 1379 1382 1383 CONECT 1379 1378 1380 1381 CONECT 1380 1379 CONECT 1381 1379 CONECT 1382 1378 CONECT 1383 1378 CONECT 1384 1238 CONECT 1385 1237 CONECT 1386 1234 1387 1390 1391 CONECT 1387 1386 1388 1389 CONECT 1388 1387 CONECT 1389 1387 CONECT 1390 1386 CONECT 1391 1386 CONECT 1392 1234 CONECT 1393 1233 CONECT 1394 1230 1395 1397 1398 CONECT 1395 1394 1396 CONECT 1396 1395 CONECT 1397 1394 CONECT 1398 1394 CONECT 1399 1230 CONECT 1400 1229 CONECT 1401 1229 CONECT 1402 1229 MASTER 0 0 0 0 0 0 0 0 1401 1 178 9 END
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Structure:
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Protein
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Related entries of code: 4xc2
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
RCSB PDB
PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
1cwb
RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
1cyn
RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d4w
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
2aoi
RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
2cia
RCSB PDB
PDBbind
11-mer
2cv3
RCSB PDB
PDBbind
11-mer
2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
2h9m
RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
11-mer
2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
RCSB PDB
PDBbind
11-mer
2jkr
RCSB PDB
PDBbind
11-mer
2jkt
RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
RCSB PDB
PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
PDBbind
11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
3u0t
RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
4xc2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
GABA(A) receptor-associated protein
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=4.3uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Mol.Cell Vol. 57: pp. 1-16
Ligand Properties
Formula
C
5
9
H
8
5
N
1
5
O
1
9
Molecular Weight
1308.400
Exact Mass
1307.610
No. of atoms
178
No. of bonds
181
Polar Surface Area
561.08
LOGP Value
2.47 (
Computed with XLOGP3
)
-2.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 44
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 4
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)C)C(C)C)CCC[NH+]=C(N)N)C(C)C)Cc1c[nH]c2c1cccc2)Cc1ccccc1)CC(=O)O)CC(=O)O)CC(=O)O)[NH3+]
InChI String
InChI=1S/C59H83N15O19/c1-28(2)46(55(89)65-30(5)57(91)74-20-12-18-42(74)58(92)93)72-49(83)36(17-11-19-63-59(61)62)66-56(90)47(29(3)4)73-54(88)38(22-32-26-64-35-16-10-9-15-33(32)35)69-50(84)37(21-31-13-7-6-8-14-31)68-52(86)40(24-44(78)79)71-53(87)41(25-45(80)81)70-51(85)39(23-43(76)77)67-48(82)34(60)27-75/h6-10,13-16,26,28-30,34,36-42,46-47,64,75H,11-12,17-25,27,60H2,1-5H3,(H,65,89)(H,66,90)(H,67,82)(H,68,86)(H,69,84)(H,70,85)(H,71,87)(H,72,83)(H,73,88)(H,76,77)(H,78,79)(H,80,81)(H,92,93)(H4,61,62,63)/p+2/t30-,34-,36-,37-,38-,39-,40-,41-,42-,46-,47-/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):
O95166
Q86V97
Entrez Gene ID
NCBI Entrez Gene ID:
11337
89890
ASD
Information of known allosteric effects of PDB entries
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