Browse entries in the PDBbind-CN Database
HEADER 5ER4_COMPLEX COMPND 5ER4_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 90 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 A 90 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 A 90 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 A 90 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 A 90 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 A 90 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 A 90 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE GLU SEQRES 1 X 90 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 X 90 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 X 90 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 X 90 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 X 90 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 X 90 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 X 90 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE GLU HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET CA A 5 1 HET UNN A 458 35 ATOM 1 N MET A 0 28.040 7.685 6.909 1.00 34.49 N ATOM 2 CA MET A 0 29.397 7.556 6.379 1.00 29.49 C ATOM 3 C MET A 0 29.417 7.819 4.878 1.00 27.35 C ATOM 4 O MET A 0 28.443 7.521 4.181 1.00 30.95 O ATOM 5 CB MET A 0 29.958 6.159 6.648 1.00 28.32 C ATOM 6 CG MET A 0 30.488 5.941 8.059 1.00 32.66 C ATOM 7 SD MET A 0 31.494 4.443 8.177 1.00 40.98 S ATOM 8 CE MET A 0 30.230 3.172 8.035 1.00 32.96 C ATOM 9 HN3 MET A 0 27.418 6.997 6.438 1.00 0.00 H ATOM 10 HN2 MET A 0 27.690 8.648 6.731 1.00 0.00 H ATOM 11 HN1 MET A 0 28.050 7.502 7.933 1.00 0.00 H ATOM 12 N SER A 1 30.525 8.367 4.378 1.00 23.37 N ATOM 13 CA SER A 1 30.711 8.521 2.930 1.00 21.45 C ATOM 14 C SER A 1 30.974 7.168 2.288 1.00 21.14 C ATOM 15 O SER A 1 31.184 6.176 2.987 1.00 20.25 O ATOM 16 CB SER A 1 31.909 9.422 2.645 1.00 20.61 C ATOM 17 OG SER A 1 33.105 8.757 3.018 1.00 18.57 O ATOM 18 HG SER A 1 33.880 9.344 2.832 1.00 0.00 H ATOM 19 H SER A 1 31.271 8.691 5.026 1.00 0.00 H ATOM 20 N GLU A 2 30.976 7.124 0.957 1.00 18.21 N ATOM 21 CA GLU A 2 31.323 5.900 0.248 1.00 20.10 C ATOM 22 C GLU A 2 32.745 5.462 0.576 1.00 16.67 C ATOM 23 O GLU A 2 33.006 4.277 0.767 1.00 17.70 O ATOM 24 CB GLU A 2 31.154 6.087 -1.263 1.00 23.50 C ATOM 25 CG GLU A 2 29.714 6.374 -1.675 1.00 28.42 C ATOM 26 CD GLU A 2 28.758 5.293 -1.199 1.00 34.95 C ATOM 27 OE1 GLU A 2 28.995 4.110 -1.522 1.00 32.63 O ATOM 28 OE2 GLU A 2 27.777 5.622 -0.499 1.00 36.96 O ATOM 29 H GLU A 2 30.726 7.976 0.416 1.00 0.00 H ATOM 30 N LEU A 3 33.663 6.417 0.651 1.00 17.95 N ATOM 31 CA LEU A 3 35.052 6.116 0.994 1.00 17.43 C ATOM 32 C LEU A 3 35.152 5.531 2.402 1.00 16.73 C ATOM 33 O LEU A 3 35.835 4.533 2.627 1.00 16.16 O ATOM 34 CB LEU A 3 35.921 7.381 0.867 1.00 17.92 C ATOM 35 CG LEU A 3 37.388 7.269 1.301 1.00 14.25 C ATOM 36 CD1 LEU A 3 38.083 6.068 0.621 1.00 18.44 C ATOM 37 CD2 LEU A 3 38.122 8.577 0.979 1.00 16.40 C ATOM 38 H LEU A 3 33.388 7.402 0.462 1.00 0.00 H ATOM 39 N GLU A 4 34.445 6.128 3.350 1.00 16.33 N ATOM 40 CA GLU A 4 34.471 5.620 4.712 1.00 18.44 C ATOM 41 C GLU A 4 33.870 4.220 4.786 1.00 17.80 C ATOM 42 O GLU A 4 34.398 3.351 5.473 1.00 19.31 O ATOM 43 CB GLU A 4 33.749 6.576 5.654 1.00 20.36 C ATOM 44 CG GLU A 4 34.533 7.849 5.885 1.00 18.81 C ATOM 45 CD GLU A 4 33.724 8.930 6.560 1.00 24.22 C ATOM 46 OE1 GLU A 4 32.486 8.964 6.395 1.00 25.09 O ATOM 47 OE2 GLU A 4 34.346 9.760 7.253 1.00 23.72 O ATOM 48 H GLU A 4 33.869 6.963 3.119 1.00 0.00 H ATOM 49 N LYS A 5 32.762 4.009 4.086 1.00 17.69 N ATOM 50 CA LYS A 5 32.185 2.664 4.001 1.00 18.00 C ATOM 51 C LYS A 5 33.179 1.664 3.417 1.00 16.74 C ATOM 52 O LYS A 5 33.252 0.518 3.861 1.00 17.49 O ATOM 53 CB LYS A 5 30.925 2.667 3.140 1.00 19.25 C ATOM 54 CG LYS A 5 29.701 3.351 3.759 1.00 24.58 C ATOM 55 CD LYS A 5 28.563 3.303 2.738 1.00 27.24 C ATOM 56 CE LYS A 5 27.348 4.118 3.166 1.00 39.30 C ATOM 57 NZ LYS A 5 26.419 4.325 2.015 1.00 45.52 N ATOM 58 HZ1 LYS A 5 26.916 4.835 1.257 1.00 0.00 H ATOM 59 HZ2 LYS A 5 26.097 3.402 1.660 1.00 0.00 H ATOM 60 HZ3 LYS A 5 25.599 4.882 2.329 1.00 0.00 H ATOM 61 H LYS A 5 32.301 4.802 3.595 1.00 0.00 H ATOM 62 N ALA A 6 33.941 2.090 2.417 1.00 16.40 N ATOM 63 CA ALA A 6 34.907 1.188 1.786 1.00 17.16 C ATOM 64 C ALA A 6 36.020 0.808 2.764 1.00 15.59 C ATOM 65 O ALA A 6 36.408 -0.366 2.860 1.00 14.37 O ATOM 66 CB ALA A 6 35.480 1.812 0.522 1.00 16.28 C ATOM 67 H ALA A 6 33.852 3.070 2.080 1.00 0.00 H ATOM 68 N VAL A 7 36.507 1.794 3.513 1.00 18.51 N ATOM 69 CA VAL A 7 37.565 1.542 4.494 1.00 17.23 C ATOM 70 C VAL A 7 37.119 0.505 5.521 1.00 18.87 C ATOM 71 O VAL A 7 37.860 -0.434 5.834 1.00 16.09 O ATOM 72 CB VAL A 7 37.999 2.831 5.211 1.00 20.18 C ATOM 73 CG1 VAL A 7 38.848 2.500 6.434 1.00 18.04 C ATOM 74 CG2 VAL A 7 38.771 3.727 4.258 1.00 19.78 C ATOM 75 H VAL A 7 36.131 2.757 3.400 1.00 0.00 H ATOM 76 N VAL A 8 35.902 0.667 6.026 1.00 18.50 N ATOM 77 CA VAL A 8 35.346 -0.258 7.012 1.00 16.69 C ATOM 78 C VAL A 8 35.110 -1.632 6.394 1.00 18.39 C ATOM 79 O VAL A 8 35.328 -2.650 7.040 1.00 17.04 O ATOM 80 CB VAL A 8 34.049 0.295 7.636 1.00 20.64 C ATOM 81 CG1 VAL A 8 33.463 -0.704 8.641 1.00 21.54 C ATOM 82 CG2 VAL A 8 34.328 1.634 8.317 1.00 20.84 C ATOM 83 H VAL A 8 35.328 1.475 5.711 1.00 0.00 H ATOM 84 N ALA A 9 34.707 -1.663 5.127 1.00 16.80 N ATOM 85 CA ALA A 9 34.521 -2.941 4.423 1.00 15.39 C ATOM 86 C ALA A 9 35.823 -3.733 4.279 1.00 16.46 C ATOM 87 O ALA A 9 35.820 -4.969 4.368 1.00 15.13 O ATOM 88 CB ALA A 9 33.868 -2.721 3.058 1.00 16.56 C ATOM 89 H ALA A 9 34.521 -0.771 4.627 1.00 0.00 H ATOM 90 N LEU A 10 36.936 -3.039 4.053 1.00 15.45 N ATOM 91 CA LEU A 10 38.238 -3.703 4.017 1.00 14.61 C ATOM 92 C LEU A 10 38.565 -4.358 5.351 1.00 16.48 C ATOM 93 O LEU A 10 38.993 -5.518 5.411 1.00 16.04 O ATOM 94 CB LEU A 10 39.334 -2.705 3.684 1.00 14.97 C ATOM 95 CG LEU A 10 39.169 -2.041 2.322 1.00 15.42 C ATOM 96 CD1 LEU A 10 40.357 -1.115 2.106 1.00 18.61 C ATOM 97 CD2 LEU A 10 39.095 -3.110 1.229 1.00 18.36 C ATOM 98 H LEU A 10 36.879 -2.012 3.900 1.00 0.00 H ATOM 99 N ILE A 11 38.373 -3.605 6.422 1.00 15.99 N ATOM 100 CA ILE A 11 38.603 -4.148 7.757 1.00 14.08 C ATOM 101 C ILE A 11 37.679 -5.354 7.996 1.00 15.21 C ATOM 102 O ILE A 11 38.138 -6.400 8.470 1.00 16.11 O ATOM 103 CB ILE A 11 38.438 -3.069 8.834 1.00 16.11 C ATOM 104 CG1 ILE A 11 39.546 -2.024 8.666 1.00 18.08 C ATOM 105 CG2 ILE A 11 38.513 -3.682 10.226 1.00 19.82 C ATOM 106 CD1 ILE A 11 39.343 -0.726 9.461 1.00 20.86 C ATOM 107 H ILE A 11 38.056 -2.621 6.312 1.00 0.00 H ATOM 108 N ASP A 12 36.402 -5.223 7.635 1.00 15.03 N ATOM 109 CA ASP A 12 35.414 -6.280 7.904 1.00 16.29 C ATOM 110 C ASP A 12 35.743 -7.566 7.175 1.00 17.71 C ATOM 111 O ASP A 12 35.710 -8.640 7.774 1.00 14.43 O ATOM 112 CB ASP A 12 33.993 -5.844 7.536 1.00 18.29 C ATOM 113 CG ASP A 12 33.329 -5.025 8.627 1.00 26.41 C ATOM 114 OD1 ASP A 12 33.874 -5.004 9.738 1.00 28.51 O ATOM 115 OD2 ASP A 12 32.270 -4.418 8.382 1.00 23.43 O ATOM 116 H ASP A 12 36.097 -4.354 7.152 1.00 0.00 H ATOM 117 N VAL A 13 36.041 -7.471 5.877 1.00 15.04 N ATOM 118 CA VAL A 13 36.339 -8.690 5.121 1.00 15.81 C ATOM 119 C VAL A 13 37.616 -9.382 5.612 1.00 15.61 C ATOM 120 O VAL A 13 37.686 -10.614 5.646 1.00 15.82 O ATOM 121 CB VAL A 13 36.362 -8.456 3.581 1.00 16.31 C ATOM 122 CG1 VAL A 13 37.637 -7.699 3.159 1.00 17.55 C ATOM 123 CG2 VAL A 13 36.258 -9.781 2.834 1.00 19.02 C ATOM 124 H VAL A 13 36.061 -6.543 5.408 1.00 0.00 H ATOM 125 N PHE A 14 38.621 -8.608 6.010 1.00 15.08 N ATOM 126 CA PHE A 14 39.862 -9.198 6.504 1.00 15.79 C ATOM 127 C PHE A 14 39.592 -10.073 7.729 1.00 18.20 C ATOM 128 O PHE A 14 40.042 -11.216 7.815 1.00 17.81 O ATOM 129 CB PHE A 14 40.871 -8.114 6.882 1.00 16.34 C ATOM 130 CG PHE A 14 42.137 -8.658 7.476 1.00 15.29 C ATOM 131 CD1 PHE A 14 43.119 -9.210 6.657 1.00 15.47 C ATOM 132 CD2 PHE A 14 42.342 -8.648 8.852 1.00 20.48 C ATOM 133 CE1 PHE A 14 44.294 -9.726 7.200 1.00 17.05 C ATOM 134 CE2 PHE A 14 43.512 -9.175 9.409 1.00 20.15 C ATOM 135 CZ PHE A 14 44.489 -9.705 8.581 1.00 18.98 C ATOM 136 H PHE A 14 38.522 -7.573 5.969 1.00 0.00 H ATOM 137 N HIS A 15 38.835 -9.526 8.667 1.00 16.55 N ATOM 138 CA HIS A 15 38.589 -10.208 9.931 1.00 20.03 C ATOM 139 C HIS A 15 37.621 -11.368 9.794 1.00 19.73 C ATOM 140 O HIS A 15 37.760 -12.372 10.493 1.00 20.43 O ATOM 141 CB HIS A 15 38.111 -9.213 10.980 1.00 21.52 C ATOM 142 CG HIS A 15 39.222 -8.416 11.572 1.00 21.44 C ATOM 143 ND1 HIS A 15 40.061 -8.925 12.541 1.00 25.39 N ATOM 144 CD2 HIS A 15 39.656 -7.160 11.318 1.00 18.44 C ATOM 145 CE1 HIS A 15 40.957 -8.011 12.864 1.00 21.86 C ATOM 146 NE2 HIS A 15 40.731 -6.933 12.140 1.00 24.95 N ATOM 147 H HIS A 15 38.408 -8.593 8.499 1.00 0.00 H ATOM 148 N GLN A 16 36.657 -11.236 8.886 1.00 20.48 N ATOM 149 CA GLN A 16 35.752 -12.335 8.582 1.00 17.88 C ATOM 150 C GLN A 16 36.533 -13.580 8.244 1.00 20.54 C ATOM 151 O GLN A 16 36.183 -14.678 8.680 1.00 22.20 O ATOM 152 CB GLN A 16 34.848 -11.988 7.412 1.00 20.20 C ATOM 153 CG GLN A 16 33.610 -11.223 7.801 1.00 25.28 C ATOM 154 CD GLN A 16 33.054 -10.440 6.637 1.00 25.23 C ATOM 155 OE1 GLN A 16 33.282 -10.790 5.470 1.00 24.74 O ATOM 156 NE2 GLN A 16 32.328 -9.362 6.943 1.00 27.37 N ATOM 157 HE22 GLN A 16 32.165 -9.110 7.939 1.00 0.00 H ATOM 158 HE21 GLN A 16 31.925 -8.774 6.185 1.00 0.00 H ATOM 159 H GLN A 16 36.548 -10.331 8.385 1.00 0.00 H ATOM 160 N TYR A 17 37.602 -13.404 7.472 1.00 17.88 N ATOM 161 CA TYR A 17 38.435 -14.536 7.059 1.00 18.10 C ATOM 162 C TYR A 17 39.603 -14.876 7.979 1.00 19.51 C ATOM 163 O TYR A 17 39.905 -16.047 8.182 1.00 17.51 O ATOM 164 CB TYR A 17 38.893 -14.361 5.605 1.00 15.61 C ATOM 165 CG TYR A 17 37.726 -14.583 4.686 1.00 14.00 C ATOM 166 CD1 TYR A 17 36.813 -13.562 4.432 1.00 16.61 C ATOM 167 CD2 TYR A 17 37.494 -15.831 4.130 1.00 17.87 C ATOM 168 CE1 TYR A 17 35.706 -13.777 3.624 1.00 18.17 C ATOM 169 CE2 TYR A 17 36.408 -16.053 3.326 1.00 18.10 C ATOM 170 CZ TYR A 17 35.521 -15.025 3.072 1.00 15.52 C ATOM 171 OH TYR A 17 34.438 -15.273 2.272 1.00 18.93 O ATOM 172 HH TYR A 17 33.899 -14.447 2.183 1.00 0.00 H ATOM 173 H TYR A 17 37.851 -12.445 7.156 1.00 0.00 H ATOM 174 N SER A 18 40.262 -13.869 8.534 1.00 15.51 N ATOM 175 CA SER A 18 41.429 -14.117 9.375 1.00 17.46 C ATOM 176 C SER A 18 41.024 -14.748 10.708 1.00 18.15 C ATOM 177 O SER A 18 41.827 -15.439 11.343 1.00 19.86 O ATOM 178 CB SER A 18 42.229 -12.834 9.618 1.00 15.73 C ATOM 179 OG SER A 18 41.551 -11.965 10.521 1.00 17.96 O ATOM 180 HG SER A 18 41.423 -12.426 11.388 1.00 0.00 H ATOM 181 H SER A 18 39.945 -12.893 8.369 1.00 0.00 H ATOM 182 N GLY A 19 39.779 -14.526 11.116 1.00 19.43 N ATOM 183 CA GLY A 19 39.307 -15.023 12.401 1.00 19.94 C ATOM 184 C GLY A 19 38.872 -16.477 12.383 1.00 22.30 C ATOM 185 O GLY A 19 38.506 -17.029 13.420 1.00 21.31 O ATOM 186 H GLY A 19 39.130 -13.988 10.507 1.00 0.00 H ATOM 187 N ARG A 20 38.915 -17.113 11.216 1.00 18.03 N ATOM 188 CA ARG A 20 38.410 -18.485 11.095 1.00 19.56 C ATOM 189 C ARG A 20 39.276 -19.526 11.804 1.00 22.12 C ATOM 190 O ARG A 20 38.767 -20.410 12.524 1.00 22.00 O ATOM 191 CB ARG A 20 38.269 -18.866 9.618 1.00 18.81 C ATOM 192 CG ARG A 20 37.097 -18.206 8.919 1.00 20.01 C ATOM 193 CD ARG A 20 37.127 -18.509 7.423 1.00 21.36 C ATOM 194 NE ARG A 20 35.927 -18.039 6.739 1.00 21.85 N ATOM 195 CZ ARG A 20 35.538 -18.470 5.545 1.00 19.49 C ATOM 196 NH1 ARG A 20 36.254 -19.387 4.918 1.00 19.57 N ATOM 197 NH2 ARG A 20 34.433 -17.995 4.987 1.00 20.19 N ATOM 198 HE ARG A 20 35.341 -17.324 7.215 1.00 0.00 H ATOM 199 HH12 ARG A 20 35.956 -19.730 3.982 1.00 0.00 H ATOM 200 HH11 ARG A 20 37.116 -19.766 5.360 1.00 0.00 H ATOM 201 HH22 ARG A 20 34.134 -18.337 4.051 1.00 0.00 H ATOM 202 HH21 ARG A 20 33.865 -17.280 5.485 1.00 0.00 H ATOM 203 H ARG A 20 39.310 -16.634 10.382 1.00 0.00 H ATOM 204 N GLU A 21 40.579 -19.460 11.572 1.00 20.81 N ATOM 205 CA GLU A 21 41.484 -20.473 12.116 1.00 23.40 C ATOM 206 C GLU A 21 42.774 -19.842 12.621 1.00 23.76 C ATOM 207 O GLU A 21 43.164 -18.758 12.169 1.00 21.14 O ATOM 208 CB GLU A 21 41.816 -21.535 11.053 1.00 25.95 C ATOM 209 CG GLU A 21 40.618 -22.279 10.469 1.00 30.35 C ATOM 210 CD GLU A 21 41.031 -23.331 9.450 1.00 36.26 C ATOM 211 OE1 GLU A 21 42.240 -23.640 9.379 1.00 40.12 O ATOM 212 OE2 GLU A 21 40.151 -23.844 8.721 1.00 34.82 O ATOM 213 H GLU A 21 40.962 -18.682 10.998 1.00 0.00 H ATOM 214 N GLY A 22 43.444 -20.531 13.543 1.00 22.15 N ATOM 215 CA GLY A 22 44.752 -20.108 14.019 1.00 19.66 C ATOM 216 C GLY A 22 44.800 -18.687 14.547 1.00 22.00 C ATOM 217 O GLY A 22 43.901 -18.261 15.284 1.00 24.78 O ATOM 218 H GLY A 22 43.020 -21.396 13.934 1.00 0.00 H ATOM 219 N ASP A 23 45.846 -17.954 14.172 1.00 22.23 N ATOM 220 CA ASP A 23 45.955 -16.544 14.523 1.00 24.86 C ATOM 221 C ASP A 23 44.740 -15.838 13.927 1.00 24.91 C ATOM 222 O ASP A 23 44.522 -15.895 12.713 1.00 21.75 O ATOM 223 CB ASP A 23 47.249 -15.959 13.959 1.00 22.67 C ATOM 224 CG ASP A 23 47.527 -14.552 14.460 1.00 25.21 C ATOM 225 OD1 ASP A 23 46.569 -13.783 14.697 1.00 24.63 O ATOM 226 OD2 ASP A 23 48.720 -14.212 14.608 1.00 26.34 O ATOM 227 H ASP A 23 46.604 -18.398 13.615 1.00 0.00 H ATOM 228 N LYS A 24 43.944 -15.191 14.779 1.00 22.47 N ATOM 229 CA LYS A 24 42.718 -14.546 14.314 1.00 24.15 C ATOM 230 C LYS A 24 42.997 -13.220 13.635 1.00 22.89 C ATOM 231 O LYS A 24 42.078 -12.557 13.154 1.00 22.97 O ATOM 232 CB LYS A 24 41.739 -14.336 15.468 1.00 24.12 C ATOM 233 CG LYS A 24 41.249 -15.624 16.116 1.00 24.21 C ATOM 234 CD LYS A 24 39.892 -15.429 16.781 1.00 27.17 C ATOM 235 CE LYS A 24 39.385 -16.743 17.353 1.00 27.86 C ATOM 236 NZ LYS A 24 37.957 -16.690 17.751 1.00 34.34 N ATOM 237 HZ1 LYS A 24 37.828 -15.958 18.478 1.00 0.00 H ATOM 238 HZ2 LYS A 24 37.375 -16.461 16.920 1.00 0.00 H ATOM 239 HZ3 LYS A 24 37.670 -17.614 18.133 1.00 0.00 H ATOM 240 H LYS A 24 44.199 -15.145 15.786 1.00 0.00 H ATOM 241 N HIS A 25 44.263 -12.825 13.606 1.00 22.05 N ATOM 242 CA HIS A 25 44.620 -11.536 13.031 1.00 19.75 C ATOM 243 C HIS A 25 45.500 -11.685 11.798 1.00 20.44 C ATOM 244 O HIS A 25 46.057 -10.706 11.300 1.00 19.49 O ATOM 245 CB HIS A 25 45.285 -10.643 14.082 1.00 26.59 C ATOM 246 CG HIS A 25 44.424 -10.399 15.277 1.00 25.56 C ATOM 247 ND1 HIS A 25 43.551 -9.336 15.361 1.00 30.71 N ATOM 248 CD2 HIS A 25 44.281 -11.094 16.433 1.00 29.58 C ATOM 249 CE1 HIS A 25 42.915 -9.379 16.517 1.00 30.54 C ATOM 250 NE2 HIS A 25 43.338 -10.443 17.183 1.00 32.22 N ATOM 251 H HIS A 25 45.005 -13.440 13.996 1.00 0.00 H ATOM 252 N LYS A 26 45.615 -12.915 11.307 1.00 19.30 N ATOM 253 CA LYS A 26 46.328 -13.181 10.059 1.00 19.16 C ATOM 254 C LYS A 26 45.561 -14.190 9.211 1.00 18.87 C ATOM 255 O LYS A 26 44.809 -15.012 9.737 1.00 19.30 O ATOM 256 CB LYS A 26 47.735 -13.729 10.321 1.00 22.74 C ATOM 257 CG LYS A 26 48.632 -12.841 11.170 1.00 24.83 C ATOM 258 CD LYS A 26 50.010 -13.475 11.300 1.00 27.15 C ATOM 259 CE LYS A 26 50.866 -12.744 12.310 1.00 32.56 C ATOM 260 NZ LYS A 26 52.173 -13.445 12.519 1.00 31.95 N ATOM 261 HZ1 LYS A 26 51.996 -14.409 12.868 1.00 0.00 H ATOM 262 HZ2 LYS A 26 52.689 -13.491 11.617 1.00 0.00 H ATOM 263 HZ3 LYS A 26 52.739 -12.921 13.217 1.00 0.00 H ATOM 264 H LYS A 26 45.186 -13.709 11.824 1.00 0.00 H ATOM 265 N LEU A 27 45.770 -14.125 7.900 1.00 16.32 N ATOM 266 CA LEU A 27 45.161 -15.067 6.966 1.00 16.61 C ATOM 267 C LEU A 27 46.135 -16.186 6.648 1.00 16.67 C ATOM 268 O LEU A 27 47.207 -15.918 6.109 1.00 17.32 O ATOM 269 CB LEU A 27 44.839 -14.355 5.653 1.00 15.29 C ATOM 270 CG LEU A 27 43.869 -13.183 5.697 1.00 13.49 C ATOM 271 CD1 LEU A 27 44.016 -12.352 4.421 1.00 20.02 C ATOM 272 CD2 LEU A 27 42.438 -13.701 5.838 1.00 16.43 C ATOM 273 H LEU A 27 46.389 -13.377 7.527 1.00 0.00 H ATOM 274 N LYS A 28 45.781 -17.433 6.944 1.00 19.02 N ATOM 275 CA LYS A 28 46.599 -18.549 6.464 1.00 19.01 C ATOM 276 C LYS A 28 46.192 -18.849 5.023 1.00 19.17 C ATOM 277 O LYS A 28 45.267 -18.212 4.498 1.00 18.57 O ATOM 278 CB LYS A 28 46.413 -19.801 7.332 1.00 21.77 C ATOM 279 CG LYS A 28 44.961 -20.203 7.539 1.00 22.84 C ATOM 280 CD LYS A 28 44.839 -21.636 8.061 1.00 30.70 C ATOM 281 CE LYS A 28 45.695 -21.874 9.284 1.00 38.53 C ATOM 282 NZ LYS A 28 45.205 -23.053 10.059 1.00 35.43 N ATOM 283 HZ1 LYS A 28 44.226 -22.883 10.365 1.00 0.00 H ATOM 284 HZ2 LYS A 28 45.239 -23.900 9.457 1.00 0.00 H ATOM 285 HZ3 LYS A 28 45.810 -23.194 10.893 1.00 0.00 H ATOM 286 H LYS A 28 44.929 -17.615 7.512 1.00 0.00 H ATOM 287 N LYS A 29 46.866 -19.811 4.390 1.00 18.93 N ATOM 288 CA LYS A 29 46.581 -20.135 2.986 1.00 17.97 C ATOM 289 C LYS A 29 45.103 -20.418 2.730 1.00 19.60 C ATOM 290 O LYS A 29 44.511 -19.867 1.803 1.00 18.26 O ATOM 291 CB LYS A 29 47.418 -21.320 2.511 1.00 17.08 C ATOM 292 CG LYS A 29 48.852 -20.981 2.146 1.00 22.57 C ATOM 293 CD LYS A 29 49.615 -22.267 1.848 1.00 24.63 C ATOM 294 CE LYS A 29 51.076 -22.002 1.540 1.00 26.93 C ATOM 295 NZ LYS A 29 51.757 -23.276 1.153 1.00 24.37 N ATOM 296 HZ1 LYS A 29 51.690 -23.956 1.937 1.00 0.00 H ATOM 297 HZ2 LYS A 29 51.295 -23.672 0.309 1.00 0.00 H ATOM 298 HZ3 LYS A 29 52.757 -23.083 0.944 1.00 0.00 H ATOM 299 H LYS A 29 47.604 -20.339 4.898 1.00 0.00 H ATOM 300 N SER A 30 44.494 -21.249 3.562 1.00 20.07 N ATOM 301 CA SER A 30 43.095 -21.601 3.329 1.00 20.50 C ATOM 302 C SER A 30 42.148 -20.409 3.489 1.00 19.38 C ATOM 303 O SER A 30 41.186 -20.274 2.731 1.00 19.54 O ATOM 304 CB SER A 30 42.659 -22.764 4.227 1.00 21.43 C ATOM 305 OG SER A 30 42.791 -22.418 5.589 1.00 23.19 O ATOM 306 HG SER A 30 42.505 -23.181 6.151 1.00 0.00 H ATOM 307 H SER A 30 45.007 -21.648 4.374 1.00 0.00 H ATOM 308 N GLU A 31 42.419 -19.546 4.466 1.00 18.77 N ATOM 309 CA GLU A 31 41.599 -18.352 4.668 1.00 17.56 C ATOM 310 C GLU A 31 41.718 -17.391 3.485 1.00 19.07 C ATOM 311 O GLU A 31 40.725 -16.810 3.039 1.00 17.88 O ATOM 312 CB GLU A 31 41.976 -17.636 5.975 1.00 18.64 C ATOM 313 CG GLU A 31 41.717 -18.459 7.235 1.00 18.12 C ATOM 314 CD GLU A 31 42.332 -17.835 8.500 1.00 18.18 C ATOM 315 OE1 GLU A 31 43.345 -17.134 8.379 1.00 17.77 O ATOM 316 OE2 GLU A 31 41.817 -18.047 9.620 1.00 20.80 O ATOM 317 H GLU A 31 43.227 -19.724 5.096 1.00 0.00 H ATOM 318 N LEU A 32 42.943 -17.232 2.992 1.00 16.95 N ATOM 319 CA LEU A 32 43.231 -16.352 1.870 1.00 15.79 C ATOM 320 C LEU A 32 42.557 -16.877 0.607 1.00 15.91 C ATOM 321 O LEU A 32 41.967 -16.107 -0.155 1.00 17.66 O ATOM 322 CB LEU A 32 44.748 -16.231 1.679 1.00 16.61 C ATOM 323 CG LEU A 32 45.247 -15.370 0.514 1.00 17.49 C ATOM 324 CD1 LEU A 32 44.727 -13.962 0.660 1.00 19.25 C ATOM 325 CD2 LEU A 32 46.773 -15.353 0.480 1.00 20.57 C ATOM 326 H LEU A 32 43.727 -17.759 3.427 1.00 0.00 H ATOM 327 N LYS A 33 42.616 -18.191 0.411 1.00 15.22 N ATOM 328 CA LYS A 33 42.014 -18.815 -0.763 1.00 15.26 C ATOM 329 C LYS A 33 40.504 -18.556 -0.778 1.00 17.51 C ATOM 330 O LYS A 33 39.933 -18.146 -1.805 1.00 17.41 O ATOM 331 CB LYS A 33 42.321 -20.314 -0.817 1.00 15.38 C ATOM 332 CG LYS A 33 41.585 -21.041 -1.931 1.00 18.12 C ATOM 333 CD LYS A 33 41.778 -22.554 -1.844 1.00 18.71 C ATOM 334 CE LYS A 33 40.899 -23.253 -2.873 1.00 23.51 C ATOM 335 NZ LYS A 33 41.072 -24.731 -2.813 1.00 23.49 N ATOM 336 HZ1 LYS A 33 42.065 -24.971 -3.006 1.00 0.00 H ATOM 337 HZ2 LYS A 33 40.810 -25.071 -1.866 1.00 0.00 H ATOM 338 HZ3 LYS A 33 40.461 -25.180 -3.525 1.00 0.00 H ATOM 339 H LYS A 33 43.102 -18.788 1.110 1.00 0.00 H ATOM 340 N GLU A 34 39.858 -18.743 0.364 1.00 14.01 N ATOM 341 CA GLU A 34 38.412 -18.588 0.402 1.00 17.73 C ATOM 342 C GLU A 34 38.038 -17.135 0.261 1.00 16.79 C ATOM 343 O GLU A 34 37.022 -16.821 -0.364 1.00 17.73 O ATOM 344 CB GLU A 34 37.815 -19.170 1.680 1.00 19.08 C ATOM 345 CG GLU A 34 38.130 -20.646 1.894 1.00 18.47 C ATOM 346 CD GLU A 34 37.471 -21.596 0.900 1.00 21.25 C ATOM 347 OE1 GLU A 34 36.766 -21.164 -0.050 1.00 22.70 O ATOM 348 OE2 GLU A 34 37.687 -22.814 1.074 1.00 23.89 O ATOM 349 H GLU A 34 40.381 -18.999 1.226 1.00 0.00 H ATOM 350 N LEU A 35 38.857 -16.242 0.824 1.00 17.93 N ATOM 351 CA LEU A 35 38.614 -14.815 0.647 1.00 15.50 C ATOM 352 C LEU A 35 38.581 -14.467 -0.842 1.00 15.98 C ATOM 353 O LEU A 35 37.648 -13.807 -1.323 1.00 17.20 O ATOM 354 CB LEU A 35 39.661 -13.966 1.385 1.00 15.72 C ATOM 355 CG LEU A 35 39.387 -12.457 1.391 1.00 15.92 C ATOM 356 CD1 LEU A 35 39.896 -11.812 2.660 1.00 16.26 C ATOM 357 CD2 LEU A 35 40.042 -11.781 0.182 1.00 15.70 C ATOM 358 H LEU A 35 39.668 -16.565 1.389 1.00 0.00 H ATOM 359 N ILE A 36 39.583 -14.933 -1.580 1.00 13.41 N ATOM 360 CA ILE A 36 39.659 -14.611 -3.011 1.00 15.49 C ATOM 361 C ILE A 36 38.493 -15.257 -3.764 1.00 16.19 C ATOM 362 O ILE A 36 37.828 -14.618 -4.575 1.00 15.27 O ATOM 363 CB ILE A 36 41.028 -15.025 -3.605 1.00 16.26 C ATOM 364 CG1 ILE A 36 42.119 -14.060 -3.121 1.00 18.28 C ATOM 365 CG2 ILE A 36 40.991 -15.077 -5.134 1.00 17.25 C ATOM 366 CD1 ILE A 36 43.509 -14.668 -3.112 1.00 18.68 C ATOM 367 H ILE A 36 40.316 -15.528 -1.143 1.00 0.00 H ATOM 368 N ASN A 37 38.232 -16.526 -3.479 1.00 15.67 N ATOM 369 CA ASN A 37 37.197 -17.251 -4.205 1.00 15.98 C ATOM 370 C ASN A 37 35.774 -16.783 -3.912 1.00 21.26 C ATOM 371 O ASN A 37 34.921 -16.772 -4.801 1.00 19.83 O ATOM 372 CB ASN A 37 37.338 -18.750 -3.963 1.00 16.83 C ATOM 373 CG ASN A 37 38.557 -19.312 -4.639 1.00 18.11 C ATOM 374 OD1 ASN A 37 39.194 -18.617 -5.434 1.00 20.60 O ATOM 375 ND2 ASN A 37 38.887 -20.577 -4.348 1.00 20.59 N ATOM 376 HD22 ASN A 37 38.316 -21.120 -3.670 1.00 0.00 H ATOM 377 HD21 ASN A 37 39.714 -21.016 -4.800 1.00 0.00 H ATOM 378 H ASN A 37 38.771 -17.008 -2.731 1.00 0.00 H ATOM 379 N ASN A 38 35.520 -16.397 -2.673 1.00 15.34 N ATOM 380 CA ASN A 38 34.192 -15.929 -2.284 1.00 17.33 C ATOM 381 C ASN A 38 33.951 -14.452 -2.538 1.00 18.91 C ATOM 382 O ASN A 38 32.832 -14.050 -2.868 1.00 18.78 O ATOM 383 CB ASN A 38 33.946 -16.191 -0.797 1.00 17.59 C ATOM 384 CG ASN A 38 33.886 -17.660 -0.461 1.00 22.11 C ATOM 385 OD1 ASN A 38 33.586 -18.494 -1.318 1.00 20.11 O ATOM 386 ND2 ASN A 38 34.174 -17.990 0.793 1.00 20.42 N ATOM 387 HD22 ASN A 38 34.422 -17.251 1.481 1.00 0.00 H ATOM 388 HD21 ASN A 38 34.152 -18.988 1.086 1.00 0.00 H ATOM 389 H ASN A 38 36.279 -16.427 -1.963 1.00 0.00 H ATOM 390 N GLU A 39 34.991 -13.640 -2.374 1.00 18.09 N ATOM 391 CA GLU A 39 34.798 -12.186 -2.344 1.00 16.59 C ATOM 392 C GLU A 39 35.357 -11.401 -3.531 1.00 18.31 C ATOM 393 O GLU A 39 35.137 -10.192 -3.625 1.00 18.87 O ATOM 394 CB GLU A 39 35.350 -11.589 -1.040 1.00 16.77 C ATOM 395 CG GLU A 39 34.952 -12.340 0.233 1.00 17.98 C ATOM 396 CD GLU A 39 33.447 -12.435 0.458 1.00 19.03 C ATOM 397 OE1 GLU A 39 32.683 -11.593 -0.079 1.00 19.37 O ATOM 398 OE2 GLU A 39 33.027 -13.362 1.190 1.00 19.02 O ATOM 399 H GLU A 39 35.946 -14.038 -2.266 1.00 0.00 H ATOM 400 N LEU A 40 36.085 -12.074 -4.414 1.00 17.47 N ATOM 401 CA LEU A 40 36.614 -11.445 -5.620 1.00 18.98 C ATOM 402 C LEU A 40 36.245 -12.278 -6.851 1.00 19.79 C ATOM 403 O LEU A 40 36.979 -12.318 -7.842 1.00 22.02 O ATOM 404 CB LEU A 40 38.131 -11.256 -5.511 1.00 18.64 C ATOM 405 CG LEU A 40 38.590 -10.296 -4.409 1.00 18.02 C ATOM 406 CD1 LEU A 40 40.075 -10.444 -4.191 1.00 19.10 C ATOM 407 CD2 LEU A 40 38.266 -8.862 -4.800 1.00 19.77 C ATOM 408 H LEU A 40 36.284 -13.080 -4.241 1.00 0.00 H ATOM 409 N SER A 41 35.090 -12.937 -6.782 1.00 20.50 N ATOM 410 CA SER A 41 34.669 -13.859 -7.836 1.00 23.14 C ATOM 411 C SER A 41 34.419 -13.187 -9.187 1.00 26.30 C ATOM 412 O SER A 41 34.390 -13.859 -10.218 1.00 26.91 O ATOM 413 CB SER A 41 33.418 -14.629 -7.407 1.00 25.10 C ATOM 414 OG SER A 41 32.314 -13.756 -7.252 1.00 25.66 O ATOM 415 HG SER A 41 32.524 -13.080 -6.560 1.00 0.00 H ATOM 416 H SER A 41 34.472 -12.792 -5.958 1.00 0.00 H ATOM 417 N HIS A 42 34.232 -11.870 -9.190 1.00 22.73 N ATOM 418 CA HIS A 42 33.983 -11.147 -10.443 1.00 26.98 C ATOM 419 C HIS A 42 35.250 -10.548 -11.061 1.00 26.02 C ATOM 420 O HIS A 42 35.272 -10.213 -12.252 1.00 36.38 O ATOM 421 CB HIS A 42 32.929 -10.048 -10.236 1.00 27.68 C ATOM 422 CG HIS A 42 31.649 -10.540 -9.637 1.00 25.38 C ATOM 423 ND1 HIS A 42 31.326 -10.356 -8.308 1.00 27.00 N ATOM 424 CD2 HIS A 42 30.604 -11.211 -10.185 1.00 30.68 C ATOM 425 CE1 HIS A 42 30.144 -10.894 -8.062 1.00 28.35 C ATOM 426 NE2 HIS A 42 29.686 -11.419 -9.185 1.00 31.97 N ATOM 427 H HIS A 42 34.263 -11.345 -8.292 1.00 0.00 H ATOM 428 N PHE A 43 36.295 -10.416 -10.251 1.00 26.35 N ATOM 429 CA PHE A 43 37.527 -9.739 -10.648 1.00 30.96 C ATOM 430 C PHE A 43 38.624 -10.748 -10.959 1.00 32.46 C ATOM 431 O PHE A 43 39.306 -10.648 -11.979 1.00 27.65 O ATOM 432 CB PHE A 43 38.029 -8.832 -9.516 1.00 30.23 C ATOM 433 CG PHE A 43 37.212 -7.577 -9.303 1.00 37.30 C ATOM 434 CD1 PHE A 43 37.482 -6.751 -8.217 1.00 35.67 C ATOM 435 CD2 PHE A 43 36.188 -7.216 -10.175 1.00 38.26 C ATOM 436 CE1 PHE A 43 36.753 -5.589 -7.999 1.00 30.06 C ATOM 437 CE2 PHE A 43 35.449 -6.045 -9.963 1.00 35.30 C ATOM 438 CZ PHE A 43 35.733 -5.236 -8.871 1.00 28.86 C ATOM 439 H PHE A 43 36.233 -10.812 -9.292 1.00 0.00 H ATOM 440 N LEU A 44 38.789 -11.712 -10.055 1.00 27.17 N ATOM 441 CA LEU A 44 39.883 -12.672 -10.117 1.00 26.05 C ATOM 442 C LEU A 44 39.371 -14.064 -10.448 1.00 28.30 C ATOM 443 O LEU A 44 38.313 -14.471 -9.977 1.00 25.73 O ATOM 444 CB LEU A 44 40.633 -12.730 -8.778 1.00 29.87 C ATOM 445 CG LEU A 44 41.306 -11.471 -8.236 1.00 30.61 C ATOM 446 CD1 LEU A 44 42.365 -11.836 -7.179 1.00 28.56 C ATOM 447 CD2 LEU A 44 41.918 -10.674 -9.379 1.00 35.29 C ATOM 448 H LEU A 44 38.108 -11.782 -9.272 1.00 0.00 H ATOM 449 N GLU A 45 40.129 -14.778 -11.270 1.00 26.90 N ATOM 450 CA GLU A 45 39.871 -16.184 -11.540 1.00 29.38 C ATOM 451 C GLU A 45 39.778 -16.982 -10.242 1.00 27.85 C ATOM 452 O GLU A 45 40.602 -16.797 -9.341 1.00 25.85 O ATOM 453 CB GLU A 45 41.027 -16.738 -12.357 1.00 36.75 C ATOM 454 CG GLU A 45 40.733 -18.018 -13.082 1.00 36.30 C ATOM 455 CD GLU A 45 41.233 -17.950 -14.507 1.00 49.38 C ATOM 456 OE1 GLU A 45 42.370 -18.398 -14.755 1.00 50.79 O ATOM 457 OE2 GLU A 45 40.499 -17.413 -15.368 1.00 51.61 O ATOM 458 H GLU A 45 40.935 -14.317 -11.737 1.00 0.00 H ATOM 459 N GLU A 46 38.789 -17.872 -10.146 1.00 27.61 N ATOM 460 CA GLU A 46 38.681 -18.742 -8.983 1.00 21.09 C ATOM 461 C GLU A 46 39.950 -19.584 -8.879 1.00 25.09 C ATOM 462 O GLU A 46 40.471 -20.080 -9.889 1.00 24.01 O ATOM 463 CB GLU A 46 37.451 -19.657 -9.076 1.00 24.24 C ATOM 464 CG GLU A 46 37.373 -20.718 -7.956 1.00 24.30 C ATOM 465 CD GLU A 46 36.160 -21.633 -8.081 1.00 29.96 C ATOM 466 OE1 GLU A 46 35.382 -21.465 -9.044 1.00 34.23 O ATOM 467 OE2 GLU A 46 35.984 -22.514 -7.210 1.00 29.32 O ATOM 468 H GLU A 46 38.087 -17.945 -10.910 1.00 0.00 H ATOM 469 N ILE A 47 40.456 -19.730 -7.660 1.00 20.44 N ATOM 470 CA ILE A 47 41.671 -20.495 -7.434 1.00 20.08 C ATOM 471 C ILE A 47 41.300 -21.935 -7.141 1.00 22.77 C ATOM 472 O ILE A 47 40.569 -22.214 -6.178 1.00 20.45 O ATOM 473 CB ILE A 47 42.490 -19.931 -6.252 1.00 22.30 C ATOM 474 CG1 ILE A 47 42.931 -18.500 -6.553 1.00 22.17 C ATOM 475 CG2 ILE A 47 43.701 -20.817 -5.981 1.00 22.03 C ATOM 476 CD1 ILE A 47 43.622 -17.798 -5.384 1.00 23.57 C ATOM 477 H ILE A 47 39.974 -19.288 -6.851 1.00 0.00 H ATOM 478 N LYS A 48 41.792 -22.846 -7.984 1.00 20.41 N ATOM 479 CA LYS A 48 41.519 -24.271 -7.826 1.00 22.55 C ATOM 480 C LYS A 48 42.780 -25.141 -7.748 1.00 22.67 C ATOM 481 O LYS A 48 42.677 -26.364 -7.709 1.00 27.72 O ATOM 482 CB LYS A 48 40.657 -24.777 -8.987 1.00 25.74 C ATOM 483 CG LYS A 48 39.404 -23.974 -9.264 1.00 27.41 C ATOM 484 CD LYS A 48 38.665 -24.547 -10.469 1.00 27.24 C ATOM 485 CE LYS A 48 37.451 -23.705 -10.802 1.00 32.82 C ATOM 486 NZ LYS A 48 36.776 -24.213 -12.020 1.00 31.85 N ATOM 487 HZ1 LYS A 48 37.438 -24.179 -12.821 1.00 0.00 H ATOM 488 HZ2 LYS A 48 36.471 -25.195 -11.862 1.00 0.00 H ATOM 489 HZ3 LYS A 48 35.947 -23.620 -12.228 1.00 0.00 H ATOM 490 H LYS A 48 42.387 -22.531 -8.776 1.00 0.00 H ATOM 491 N GLU A 49 43.961 -24.529 -7.768 1.00 20.98 N ATOM 492 CA GLU A 49 45.213 -25.301 -7.745 1.00 22.19 C ATOM 493 C GLU A 49 46.042 -24.902 -6.540 1.00 21.65 C ATOM 494 O GLU A 49 46.153 -23.713 -6.255 1.00 22.59 O ATOM 495 CB GLU A 49 46.043 -25.036 -9.007 1.00 25.71 C ATOM 496 CG GLU A 49 45.508 -25.672 -10.285 1.00 22.99 C ATOM 497 CD GLU A 49 45.398 -27.187 -10.195 1.00 28.31 C ATOM 498 OE1 GLU A 49 46.259 -27.830 -9.549 1.00 27.34 O ATOM 499 OE2 GLU A 49 44.445 -27.741 -10.781 1.00 30.10 O ATOM 500 H GLU A 49 44.000 -23.490 -7.800 1.00 0.00 H ATOM 501 N GLN A 50 46.634 -25.881 -5.853 1.00 24.19 N ATOM 502 CA GLN A 50 47.488 -25.598 -4.699 1.00 23.25 C ATOM 503 C GLN A 50 48.626 -24.664 -5.101 1.00 19.95 C ATOM 504 O GLN A 50 49.026 -23.780 -4.334 1.00 21.49 O ATOM 505 CB GLN A 50 48.079 -26.895 -4.137 1.00 24.00 C ATOM 506 CG GLN A 50 48.872 -26.716 -2.833 1.00 22.31 C ATOM 507 CD GLN A 50 47.988 -26.290 -1.685 1.00 26.28 C ATOM 508 OE1 GLN A 50 47.002 -26.957 -1.377 1.00 31.95 O ATOM 509 NE2 GLN A 50 48.321 -25.164 -1.055 1.00 24.32 N ATOM 510 HE22 GLN A 50 49.165 -24.633 -1.351 1.00 0.00 H ATOM 511 HE21 GLN A 50 47.737 -24.817 -0.268 1.00 0.00 H ATOM 512 H GLN A 50 46.485 -26.868 -6.145 1.00 0.00 H ATOM 513 N GLU A 51 49.151 -24.866 -6.305 1.00 20.16 N ATOM 514 CA GLU A 51 50.309 -24.102 -6.746 1.00 20.90 C ATOM 515 C GLU A 51 49.959 -22.625 -6.865 1.00 21.39 C ATOM 516 O GLU A 51 50.799 -21.757 -6.615 1.00 18.56 O ATOM 517 CB GLU A 51 50.882 -24.654 -8.061 1.00 22.94 C ATOM 518 CG GLU A 51 49.952 -24.509 -9.261 1.00 26.12 C ATOM 519 CD GLU A 51 50.368 -25.352 -10.458 1.00 31.68 C ATOM 520 OE1 GLU A 51 51.226 -26.255 -10.318 1.00 30.53 O ATOM 521 OE2 GLU A 51 49.806 -25.116 -11.547 1.00 31.54 O ATOM 522 H GLU A 51 48.731 -25.576 -6.938 1.00 0.00 H ATOM 523 N VAL A 52 48.707 -22.335 -7.212 1.00 20.69 N ATOM 524 CA VAL A 52 48.288 -20.943 -7.329 1.00 20.16 C ATOM 525 C VAL A 52 48.130 -20.329 -5.944 1.00 19.88 C ATOM 526 O VAL A 52 48.597 -19.213 -5.708 1.00 20.10 O ATOM 527 CB VAL A 52 47.000 -20.806 -8.138 1.00 21.65 C ATOM 528 CG1 VAL A 52 46.526 -19.352 -8.166 1.00 20.70 C ATOM 529 CG2 VAL A 52 47.239 -21.307 -9.558 1.00 22.70 C ATOM 530 H VAL A 52 48.028 -23.100 -7.399 1.00 0.00 H ATOM 531 N VAL A 53 47.483 -21.058 -5.038 1.00 18.92 N ATOM 532 CA VAL A 53 47.387 -20.625 -3.633 1.00 21.42 C ATOM 533 C VAL A 53 48.776 -20.347 -3.045 1.00 19.85 C ATOM 534 O VAL A 53 48.994 -19.324 -2.394 1.00 18.41 O ATOM 535 CB VAL A 53 46.705 -21.663 -2.717 1.00 23.66 C ATOM 536 CG1 VAL A 53 46.621 -21.110 -1.300 1.00 29.21 C ATOM 537 CG2 VAL A 53 45.311 -22.011 -3.199 1.00 22.47 C ATOM 538 H VAL A 53 47.036 -21.951 -5.328 1.00 0.00 H ATOM 539 N ASP A 54 49.708 -21.274 -3.259 1.00 18.08 N ATOM 540 CA ASP A 54 51.087 -21.098 -2.790 1.00 20.82 C ATOM 541 C ASP A 54 51.754 -19.850 -3.366 1.00 21.72 C ATOM 542 O ASP A 54 52.394 -19.080 -2.641 1.00 21.43 O ATOM 543 CB ASP A 54 51.942 -22.322 -3.134 1.00 23.11 C ATOM 544 CG ASP A 54 51.477 -23.583 -2.431 1.00 20.58 C ATOM 545 OD1 ASP A 54 50.661 -23.479 -1.496 1.00 20.65 O ATOM 546 OD2 ASP A 54 51.931 -24.686 -2.820 1.00 19.32 O ATOM 547 H ASP A 54 49.452 -22.143 -3.770 1.00 0.00 H ATOM 548 N LYS A 55 51.628 -19.665 -4.676 1.00 18.63 N ATOM 549 CA LYS A 55 52.245 -18.523 -5.334 1.00 23.58 C ATOM 550 C LYS A 55 51.640 -17.203 -4.848 1.00 21.80 C ATOM 551 O LYS A 55 52.362 -16.219 -4.644 1.00 22.03 O ATOM 552 CB LYS A 55 52.134 -18.642 -6.857 1.00 26.28 C ATOM 553 CG LYS A 55 52.883 -17.562 -7.622 1.00 29.35 C ATOM 554 CD LYS A 55 54.374 -17.535 -7.253 1.00 30.36 C ATOM 555 CE LYS A 55 55.099 -18.801 -7.707 1.00 34.71 C ATOM 556 NZ LYS A 55 56.569 -18.732 -7.433 1.00 35.55 N ATOM 557 HZ1 LYS A 55 56.978 -17.922 -7.942 1.00 0.00 H ATOM 558 HZ2 LYS A 55 56.725 -18.616 -6.411 1.00 0.00 H ATOM 559 HZ3 LYS A 55 57.022 -19.610 -7.756 1.00 0.00 H ATOM 560 H LYS A 55 51.080 -20.346 -5.239 1.00 0.00 H ATOM 561 N VAL A 56 50.322 -17.170 -4.648 1.00 19.63 N ATOM 562 CA VAL A 56 49.692 -15.957 -4.114 1.00 21.93 C ATOM 563 C VAL A 56 50.210 -15.600 -2.724 1.00 20.57 C ATOM 564 O VAL A 56 50.598 -14.459 -2.471 1.00 21.13 O ATOM 565 CB VAL A 56 48.149 -16.053 -4.089 1.00 22.43 C ATOM 566 CG1 VAL A 56 47.548 -14.807 -3.436 1.00 22.64 C ATOM 567 CG2 VAL A 56 47.622 -16.206 -5.496 1.00 22.62 C ATOM 568 H VAL A 56 49.741 -18.003 -4.870 1.00 0.00 H ATOM 569 N MET A 57 50.228 -16.574 -1.823 1.00 19.71 N ATOM 570 CA MET A 57 50.749 -16.339 -0.477 1.00 21.00 C ATOM 571 C MET A 57 52.211 -15.899 -0.502 1.00 20.08 C ATOM 572 O MET A 57 52.599 -14.995 0.227 1.00 23.04 O ATOM 573 CB MET A 57 50.594 -17.586 0.400 1.00 19.20 C ATOM 574 CG MET A 57 51.101 -17.394 1.840 1.00 20.67 C ATOM 575 SD MET A 57 50.219 -16.095 2.746 1.00 20.64 S ATOM 576 CE MET A 57 48.806 -17.014 3.350 1.00 17.18 C ATOM 577 H MET A 57 49.867 -17.516 -2.077 1.00 0.00 H ATOM 578 N GLU A 58 53.015 -16.542 -1.343 1.00 22.34 N ATOM 579 CA GLU A 58 54.437 -16.218 -1.453 1.00 21.19 C ATOM 580 C GLU A 58 54.599 -14.765 -1.895 1.00 24.71 C ATOM 581 O GLU A 58 55.479 -14.045 -1.420 1.00 23.13 O ATOM 582 CB GLU A 58 55.103 -17.174 -2.456 1.00 25.79 C ATOM 583 CG GLU A 58 56.582 -16.891 -2.747 1.00 30.23 C ATOM 584 CD GLU A 58 57.203 -17.907 -3.701 1.00 38.01 C ATOM 585 OE1 GLU A 58 56.449 -18.626 -4.396 1.00 37.42 O ATOM 586 OE2 GLU A 58 58.450 -17.992 -3.755 1.00 41.19 O ATOM 587 H GLU A 58 52.622 -17.297 -1.940 1.00 0.00 H ATOM 588 N THR A 59 53.731 -14.336 -2.802 1.00 24.05 N ATOM 589 CA THR A 59 53.770 -12.964 -3.297 1.00 22.38 C ATOM 590 C THR A 59 53.389 -11.970 -2.209 1.00 25.93 C ATOM 591 O THR A 59 54.004 -10.910 -2.089 1.00 25.45 O ATOM 592 CB THR A 59 52.837 -12.770 -4.506 1.00 26.23 C ATOM 593 OG1 THR A 59 53.192 -13.699 -5.536 1.00 30.09 O ATOM 594 CG2 THR A 59 52.945 -11.356 -5.044 1.00 28.19 C ATOM 595 HG1 THR A 59 53.100 -14.623 -5.192 1.00 0.00 H ATOM 596 H THR A 59 53.009 -14.990 -3.167 1.00 0.00 H ATOM 597 N LEU A 60 52.374 -12.308 -1.415 1.00 22.19 N ATOM 598 CA LEU A 60 51.843 -11.354 -0.435 1.00 23.70 C ATOM 599 C LEU A 60 52.591 -11.351 0.894 1.00 24.37 C ATOM 600 O LEU A 60 52.542 -10.367 1.634 1.00 21.16 O ATOM 601 CB LEU A 60 50.352 -11.620 -0.174 1.00 24.13 C ATOM 602 CG LEU A 60 49.477 -11.614 -1.428 1.00 25.42 C ATOM 603 CD1 LEU A 60 48.015 -11.915 -1.086 1.00 25.69 C ATOM 604 CD2 LEU A 60 49.604 -10.278 -2.157 1.00 27.51 C ATOM 605 H LEU A 60 51.954 -13.257 -1.491 1.00 0.00 H ATOM 606 N ASP A 61 53.274 -12.451 1.191 1.00 20.26 N ATOM 607 CA ASP A 61 53.905 -12.657 2.493 1.00 23.35 C ATOM 608 C ASP A 61 55.271 -11.971 2.549 1.00 25.96 C ATOM 609 O ASP A 61 56.315 -12.625 2.495 1.00 22.81 O ATOM 610 CB ASP A 61 54.061 -14.163 2.763 1.00 24.68 C ATOM 611 CG ASP A 61 54.640 -14.466 4.135 1.00 24.75 C ATOM 612 OD1 ASP A 61 54.539 -13.618 5.047 1.00 24.36 O ATOM 613 OD2 ASP A 61 55.202 -15.569 4.304 1.00 23.34 O ATOM 614 H ASP A 61 53.363 -13.194 0.469 1.00 0.00 H ATOM 615 N SER A 62 55.254 -10.649 2.675 1.00 23.44 N ATOM 616 CA SER A 62 56.474 -9.852 2.685 1.00 27.42 C ATOM 617 C SER A 62 57.460 -10.194 3.795 1.00 27.68 C ATOM 618 O SER A 62 58.674 -10.164 3.571 1.00 33.61 O ATOM 619 CB SER A 62 56.118 -8.366 2.736 1.00 25.41 C ATOM 620 OG SER A 62 55.463 -7.992 1.540 1.00 33.97 O ATOM 621 HG SER A 62 55.234 -7.029 1.577 1.00 0.00 H ATOM 622 H SER A 62 54.338 -10.166 2.770 1.00 0.00 H ATOM 623 N ASP A 63 56.953 -10.513 4.981 1.00 26.24 N ATOM 624 CA ASP A 63 57.838 -10.805 6.107 1.00 31.08 C ATOM 625 C ASP A 63 58.201 -12.285 6.226 1.00 28.45 C ATOM 626 O ASP A 63 59.029 -12.656 7.057 1.00 31.17 O ATOM 627 CB ASP A 63 57.305 -10.249 7.441 1.00 27.78 C ATOM 628 CG ASP A 63 56.002 -10.899 7.894 1.00 30.61 C ATOM 629 OD1 ASP A 63 55.519 -11.865 7.265 1.00 25.46 O ATOM 630 OD2 ASP A 63 55.456 -10.438 8.915 1.00 30.51 O ATOM 631 H ASP A 63 55.922 -10.555 5.109 1.00 0.00 H ATOM 632 N GLY A 64 57.580 -13.120 5.395 1.00 28.53 N ATOM 633 CA GLY A 64 57.948 -14.525 5.308 1.00 27.04 C ATOM 634 C GLY A 64 57.445 -15.461 6.399 1.00 27.55 C ATOM 635 O GLY A 64 57.945 -16.584 6.510 1.00 27.89 O ATOM 636 H GLY A 64 56.813 -12.759 4.793 1.00 0.00 H ATOM 637 N ASP A 65 56.469 -15.035 7.203 1.00 26.33 N ATOM 638 CA ASP A 65 55.955 -15.898 8.268 1.00 24.92 C ATOM 639 C ASP A 65 54.890 -16.891 7.783 1.00 24.02 C ATOM 640 O ASP A 65 54.269 -17.607 8.576 1.00 22.84 O ATOM 641 CB ASP A 65 55.461 -15.090 9.481 1.00 30.06 C ATOM 642 CG ASP A 65 54.210 -14.279 9.189 1.00 27.18 C ATOM 643 OD1 ASP A 65 53.701 -14.320 8.046 1.00 21.53 O ATOM 644 OD2 ASP A 65 53.746 -13.575 10.113 1.00 26.35 O ATOM 645 H ASP A 65 56.071 -14.083 7.072 1.00 0.00 H ATOM 646 N GLY A 66 54.700 -16.950 6.471 1.00 20.99 N ATOM 647 CA GLY A 66 53.771 -17.912 5.906 1.00 22.59 C ATOM 648 C GLY A 66 52.309 -17.513 6.012 1.00 23.62 C ATOM 649 O GLY A 66 51.437 -18.290 5.625 1.00 21.99 O ATOM 650 H GLY A 66 55.220 -16.303 5.844 1.00 0.00 H ATOM 651 N GLU A 67 52.026 -16.316 6.527 1.00 20.59 N ATOM 652 CA GLU A 67 50.647 -15.840 6.601 1.00 16.84 C ATOM 653 C GLU A 67 50.550 -14.425 6.066 1.00 18.25 C ATOM 654 O GLU A 67 51.567 -13.756 5.879 1.00 19.15 O ATOM 655 CB GLU A 67 50.117 -15.887 8.041 1.00 19.70 C ATOM 656 CG GLU A 67 50.094 -17.276 8.644 1.00 20.21 C ATOM 657 CD GLU A 67 49.114 -17.403 9.794 1.00 26.68 C ATOM 658 OE1 GLU A 67 47.964 -16.926 9.666 1.00 24.72 O ATOM 659 OE2 GLU A 67 49.495 -17.985 10.830 1.00 29.32 O ATOM 660 H GLU A 67 52.797 -15.714 6.880 1.00 0.00 H ATOM 661 N CYS A 68 49.320 -13.981 5.829 1.00 17.62 N ATOM 662 CA CYS A 68 49.072 -12.610 5.391 1.00 17.44 C ATOM 663 C CYS A 68 48.470 -11.797 6.527 1.00 18.37 C ATOM 664 O CYS A 68 47.316 -12.034 6.918 1.00 20.37 O ATOM 665 CB CYS A 68 48.118 -12.594 4.189 1.00 15.91 C ATOM 666 SG CYS A 68 47.905 -10.934 3.462 1.00 17.74 S ATOM 667 H CYS A 68 48.514 -14.626 5.959 1.00 0.00 H ATOM 668 N ASP A 69 49.240 -10.849 7.065 1.00 19.30 N ATOM 669 CA ASP A 69 48.741 -10.010 8.152 1.00 20.04 C ATOM 670 C ASP A 69 47.985 -8.796 7.593 1.00 20.00 C ATOM 671 O ASP A 69 47.785 -8.682 6.377 1.00 17.54 O ATOM 672 CB ASP A 69 49.861 -9.606 9.136 1.00 19.70 C ATOM 673 CG ASP A 69 50.958 -8.745 8.497 1.00 26.06 C ATOM 674 OD1 ASP A 69 50.720 -8.064 7.472 1.00 24.04 O ATOM 675 OD2 ASP A 69 52.081 -8.723 9.049 1.00 25.09 O ATOM 676 H ASP A 69 50.206 -10.706 6.707 1.00 0.00 H ATOM 677 N PHE A 70 47.543 -7.902 8.465 1.00 17.73 N ATOM 678 CA PHE A 70 46.740 -6.780 7.994 1.00 19.49 C ATOM 679 C PHE A 70 47.495 -5.875 7.013 1.00 22.67 C ATOM 680 O PHE A 70 46.940 -5.454 5.996 1.00 20.51 O ATOM 681 CB PHE A 70 46.159 -5.959 9.146 1.00 21.12 C ATOM 682 CG PHE A 70 45.118 -4.968 8.694 1.00 21.39 C ATOM 683 CD1 PHE A 70 43.846 -5.401 8.328 1.00 24.24 C ATOM 684 CD2 PHE A 70 45.424 -3.616 8.588 1.00 22.40 C ATOM 685 CE1 PHE A 70 42.877 -4.496 7.890 1.00 24.01 C ATOM 686 CE2 PHE A 70 44.466 -2.705 8.156 1.00 24.64 C ATOM 687 CZ PHE A 70 43.191 -3.149 7.805 1.00 21.90 C ATOM 688 H PHE A 70 47.767 -8.000 9.476 1.00 0.00 H ATOM 689 N GLN A 71 48.759 -5.596 7.316 1.00 20.52 N ATOM 690 CA GLN A 71 49.574 -4.725 6.481 1.00 22.40 C ATOM 691 C GLN A 71 49.760 -5.354 5.111 1.00 20.98 C ATOM 692 O GLN A 71 49.660 -4.676 4.087 1.00 19.46 O ATOM 693 CB GLN A 71 50.935 -4.487 7.139 1.00 26.01 C ATOM 694 CG GLN A 71 51.809 -3.463 6.425 1.00 30.28 C ATOM 695 CD GLN A 71 53.215 -3.390 6.998 1.00 37.51 C ATOM 696 OE1 GLN A 71 53.585 -4.175 7.879 1.00 40.70 O ATOM 697 NE2 GLN A 71 54.009 -2.451 6.495 1.00 45.75 N ATOM 698 HE22 GLN A 71 53.655 -1.812 5.755 1.00 0.00 H ATOM 699 HE21 GLN A 71 54.985 -2.355 6.842 1.00 0.00 H ATOM 700 H GLN A 71 49.177 -6.011 8.173 1.00 0.00 H ATOM 701 N GLU A 72 50.017 -6.659 5.096 1.00 19.12 N ATOM 702 CA GLU A 72 50.201 -7.367 3.840 1.00 19.56 C ATOM 703 C GLU A 72 48.890 -7.425 3.071 1.00 17.75 C ATOM 704 O GLU A 72 48.882 -7.394 1.838 1.00 19.91 O ATOM 705 CB GLU A 72 50.787 -8.760 4.090 1.00 19.79 C ATOM 706 CG GLU A 72 52.228 -8.711 4.628 1.00 21.37 C ATOM 707 CD GLU A 72 52.662 -10.000 5.321 1.00 21.35 C ATOM 708 OE1 GLU A 72 51.796 -10.815 5.702 1.00 18.96 O ATOM 709 OE2 GLU A 72 53.890 -10.201 5.490 1.00 23.19 O ATOM 710 H GLU A 72 50.087 -7.179 5.994 1.00 0.00 H ATOM 711 N PHE A 73 47.774 -7.485 3.790 1.00 18.37 N ATOM 712 CA PHE A 73 46.473 -7.460 3.127 1.00 19.12 C ATOM 713 C PHE A 73 46.219 -6.089 2.475 1.00 18.30 C ATOM 714 O PHE A 73 45.668 -6.006 1.378 1.00 18.81 O ATOM 715 CB PHE A 73 45.365 -7.818 4.114 1.00 17.23 C ATOM 716 CG PHE A 73 43.990 -7.853 3.501 1.00 17.16 C ATOM 717 CD1 PHE A 73 43.645 -8.842 2.585 1.00 16.63 C ATOM 718 CD2 PHE A 73 43.035 -6.894 3.848 1.00 16.90 C ATOM 719 CE1 PHE A 73 42.369 -8.874 2.015 1.00 17.01 C ATOM 720 CE2 PHE A 73 41.755 -6.921 3.289 1.00 17.94 C ATOM 721 CZ PHE A 73 41.422 -7.913 2.374 1.00 14.69 C ATOM 722 H PHE A 73 47.827 -7.550 4.827 1.00 0.00 H ATOM 723 N MET A 74 46.632 -5.018 3.143 1.00 18.14 N ATOM 724 CA MET A 74 46.510 -3.681 2.558 1.00 19.62 C ATOM 725 C MET A 74 47.271 -3.595 1.239 1.00 18.45 C ATOM 726 O MET A 74 46.803 -2.986 0.273 1.00 17.89 O ATOM 727 CB MET A 74 47.024 -2.620 3.527 1.00 22.99 C ATOM 728 CG MET A 74 46.239 -2.529 4.820 1.00 21.77 C ATOM 729 SD MET A 74 44.616 -1.827 4.510 1.00 27.32 S ATOM 730 CE MET A 74 43.622 -3.304 4.318 1.00 22.05 C ATOM 731 H MET A 74 47.046 -5.130 4.090 1.00 0.00 H ATOM 732 N ALA A 75 48.445 -4.212 1.196 1.00 17.19 N ATOM 733 CA ALA A 75 49.210 -4.237 -0.043 1.00 17.02 C ATOM 734 C ALA A 75 48.475 -5.062 -1.095 1.00 19.30 C ATOM 735 O ALA A 75 48.486 -4.717 -2.271 1.00 19.40 O ATOM 736 CB ALA A 75 50.619 -4.773 0.195 1.00 21.15 C ATOM 737 H ALA A 75 48.819 -4.678 2.047 1.00 0.00 H ATOM 738 N PHE A 76 47.826 -6.146 -0.674 1.00 17.24 N ATOM 739 CA PHE A 76 47.022 -6.956 -1.594 1.00 18.18 C ATOM 740 C PHE A 76 45.860 -6.149 -2.171 1.00 20.37 C ATOM 741 O PHE A 76 45.608 -6.183 -3.377 1.00 16.84 O ATOM 742 CB PHE A 76 46.518 -8.221 -0.890 1.00 18.71 C ATOM 743 CG PHE A 76 45.744 -9.160 -1.786 1.00 21.87 C ATOM 744 CD1 PHE A 76 46.237 -9.533 -3.032 1.00 23.46 C ATOM 745 CD2 PHE A 76 44.538 -9.691 -1.360 1.00 27.04 C ATOM 746 CE1 PHE A 76 45.524 -10.405 -3.855 1.00 24.40 C ATOM 747 CE2 PHE A 76 43.817 -10.574 -2.169 1.00 26.86 C ATOM 748 CZ PHE A 76 44.314 -10.930 -3.420 1.00 26.34 C ATOM 749 H PHE A 76 47.891 -6.423 0.326 1.00 0.00 H ATOM 750 N VAL A 77 45.171 -5.400 -1.313 1.00 17.90 N ATOM 751 CA VAL A 77 44.087 -4.531 -1.762 1.00 18.25 C ATOM 752 C VAL A 77 44.592 -3.498 -2.768 1.00 15.02 C ATOM 753 O VAL A 77 43.937 -3.242 -3.777 1.00 17.87 O ATOM 754 CB VAL A 77 43.393 -3.824 -0.581 1.00 19.70 C ATOM 755 CG1 VAL A 77 42.366 -2.802 -1.077 1.00 19.02 C ATOM 756 CG2 VAL A 77 42.715 -4.846 0.324 1.00 19.23 C ATOM 757 H VAL A 77 45.410 -5.435 -0.301 1.00 0.00 H ATOM 758 N ALA A 78 45.760 -2.918 -2.510 1.00 18.88 N ATOM 759 CA ALA A 78 46.328 -1.963 -3.458 1.00 19.12 C ATOM 760 C ALA A 78 46.599 -2.641 -4.806 1.00 19.50 C ATOM 761 O ALA A 78 46.357 -2.056 -5.866 1.00 19.55 O ATOM 762 CB ALA A 78 47.590 -1.335 -2.903 1.00 18.29 C ATOM 763 H ALA A 78 46.270 -3.144 -1.632 1.00 0.00 H ATOM 764 N MET A 79 47.076 -3.886 -4.771 1.00 17.17 N ATOM 765 CA MET A 79 47.340 -4.638 -6.007 1.00 18.37 C ATOM 766 C MET A 79 46.072 -4.886 -6.817 1.00 20.07 C ATOM 767 O MET A 79 46.029 -4.626 -8.024 1.00 20.55 O ATOM 768 CB MET A 79 47.989 -5.984 -5.685 1.00 22.40 C ATOM 769 CG MET A 79 49.440 -5.901 -5.290 1.00 26.85 C ATOM 770 SD MET A 79 50.026 -7.530 -4.789 1.00 38.63 S ATOM 771 CE MET A 79 49.404 -8.516 -6.150 1.00 33.61 C ATOM 772 H MET A 79 47.265 -4.334 -3.852 1.00 0.00 H ATOM 773 N ILE A 80 45.040 -5.395 -6.149 1.00 21.03 N ATOM 774 CA ILE A 80 43.770 -5.689 -6.812 1.00 19.91 C ATOM 775 C ILE A 80 43.126 -4.420 -7.354 1.00 21.64 C ATOM 776 O ILE A 80 42.627 -4.394 -8.492 1.00 20.00 O ATOM 777 CB ILE A 80 42.767 -6.339 -5.857 1.00 22.88 C ATOM 778 CG1 ILE A 80 43.310 -7.645 -5.298 1.00 23.12 C ATOM 779 CG2 ILE A 80 41.459 -6.623 -6.569 1.00 22.36 C ATOM 780 CD1 ILE A 80 42.643 -8.000 -4.001 1.00 29.89 C ATOM 781 H ILE A 80 45.139 -5.588 -5.132 1.00 0.00 H ATOM 782 N THR A 81 43.133 -3.368 -6.542 1.00 20.64 N ATOM 783 CA THR A 81 42.535 -2.101 -6.947 1.00 19.30 C ATOM 784 C THR A 81 43.285 -1.501 -8.132 1.00 21.50 C ATOM 785 O THR A 81 42.672 -0.980 -9.061 1.00 21.48 O ATOM 786 CB THR A 81 42.505 -1.097 -5.784 1.00 18.50 C ATOM 787 OG1 THR A 81 41.868 -1.707 -4.657 1.00 16.81 O ATOM 788 CG2 THR A 81 41.740 0.170 -6.169 1.00 17.85 C ATOM 789 HG1 THR A 81 42.376 -2.514 -4.389 1.00 0.00 H ATOM 790 H THR A 81 43.572 -3.450 -5.603 1.00 0.00 H ATOM 791 N THR A 82 44.612 -1.573 -8.100 1.00 20.30 N ATOM 792 CA THR A 82 45.418 -1.090 -9.214 1.00 22.96 C ATOM 793 C THR A 82 45.151 -1.909 -10.480 1.00 24.84 C ATOM 794 O THR A 82 45.046 -1.360 -11.587 1.00 24.41 O ATOM 795 CB THR A 82 46.909 -1.115 -8.857 1.00 24.42 C ATOM 796 OG1 THR A 82 47.118 -0.297 -7.702 1.00 21.27 O ATOM 797 CG2 THR A 82 47.742 -0.574 -10.002 1.00 25.94 C ATOM 798 HG1 THR A 82 46.585 -0.652 -6.947 1.00 0.00 H ATOM 799 H THR A 82 45.082 -1.980 -7.267 1.00 0.00 H ATOM 800 N ALA A 83 45.018 -3.221 -10.317 1.00 20.99 N ATOM 801 CA ALA A 83 44.748 -4.083 -11.459 1.00 25.03 C ATOM 802 C ALA A 83 43.347 -3.804 -11.994 1.00 26.52 C ATOM 803 O ALA A 83 43.119 -3.803 -13.209 1.00 24.00 O ATOM 804 CB ALA A 83 44.891 -5.538 -11.066 1.00 25.27 C ATOM 805 H ALA A 83 45.107 -3.635 -9.367 1.00 0.00 H ATOM 806 N CYS A 84 42.408 -3.573 -11.081 1.00 23.16 N ATOM 807 CA CYS A 84 41.047 -3.219 -11.457 1.00 22.19 C ATOM 808 C CYS A 84 41.065 -1.908 -12.229 1.00 25.96 C ATOM 809 O CYS A 84 40.363 -1.747 -13.229 1.00 29.33 O ATOM 810 CB CYS A 84 40.172 -3.084 -10.207 1.00 23.08 C ATOM 811 SG CYS A 84 38.399 -2.872 -10.519 1.00 25.72 S ATOM 812 H CYS A 84 42.652 -3.647 -10.073 1.00 0.00 H ATOM 813 N HIS A 85 41.882 -0.973 -11.761 1.00 22.96 N ATOM 814 CA HIS A 85 41.974 0.348 -12.373 1.00 24.20 C ATOM 815 C HIS A 85 42.645 0.308 -13.747 1.00 27.99 C ATOM 816 O HIS A 85 42.313 1.100 -14.628 1.00 29.51 O ATOM 817 CB HIS A 85 42.758 1.271 -11.453 1.00 25.79 C ATOM 818 CG HIS A 85 42.702 2.709 -11.848 1.00 28.80 C ATOM 819 ND1 HIS A 85 43.764 3.567 -11.673 1.00 26.49 N ATOM 820 CD2 HIS A 85 41.706 3.446 -12.396 1.00 24.76 C ATOM 821 CE1 HIS A 85 43.429 4.772 -12.100 1.00 26.96 C ATOM 822 NE2 HIS A 85 42.187 4.721 -12.547 1.00 32.30 N ATOM 823 H HIS A 85 42.474 -1.188 -10.934 1.00 0.00 H ATOM 824 N GLU A 86 43.593 -0.607 -13.922 1.00 27.00 N ATOM 825 CA GLU A 86 44.373 -0.670 -15.161 1.00 28.69 C ATOM 826 C GLU A 86 43.734 -1.554 -16.226 1.00 31.96 C ATOM 827 O GLU A 86 44.151 -1.544 -17.390 1.00 33.27 O ATOM 828 CB GLU A 86 45.804 -1.130 -14.870 1.00 28.06 C ATOM 829 CG GLU A 86 46.661 -0.062 -14.197 1.00 34.74 C ATOM 830 CD GLU A 86 48.028 -0.578 -13.808 1.00 43.19 C ATOM 831 OE1 GLU A 86 48.919 0.255 -13.525 1.00 46.58 O ATOM 832 OE2 GLU A 86 48.211 -1.817 -13.783 1.00 41.81 O ATOM 833 H GLU A 86 43.785 -1.292 -13.164 1.00 0.00 H ATOM 834 N PHE A 87 42.711 -2.303 -15.833 1.00 23.68 N ATOM 835 CA PHE A 87 42.093 -3.273 -16.731 1.00 30.83 C ATOM 836 C PHE A 87 41.487 -2.638 -17.982 1.00 32.25 C ATOM 837 O PHE A 87 41.516 -3.230 -19.063 1.00 32.54 O ATOM 838 CB PHE A 87 41.012 -4.070 -16.002 1.00 28.01 C ATOM 839 CG PHE A 87 40.447 -5.198 -16.816 1.00 33.13 C ATOM 840 CD1 PHE A 87 41.061 -6.440 -16.809 1.00 32.25 C ATOM 841 CD2 PHE A 87 39.308 -5.015 -17.598 1.00 32.80 C ATOM 842 CE1 PHE A 87 40.553 -7.487 -17.565 1.00 34.64 C ATOM 843 CE2 PHE A 87 38.790 -6.060 -18.360 1.00 36.80 C ATOM 844 CZ PHE A 87 39.417 -7.298 -18.342 1.00 34.26 C ATOM 845 H PHE A 87 42.343 -2.196 -14.866 1.00 0.00 H ATOM 846 N PHE A 88 40.940 -1.437 -17.826 1.00 30.68 N ATOM 847 CA PHE A 88 40.201 -0.794 -18.905 1.00 34.69 C ATOM 848 C PHE A 88 41.043 0.191 -19.708 1.00 41.91 C ATOM 849 O PHE A 88 40.501 0.971 -20.494 1.00 44.61 O ATOM 850 CB PHE A 88 38.961 -0.094 -18.349 1.00 33.67 C ATOM 851 CG PHE A 88 37.821 -1.022 -18.045 1.00 30.49 C ATOM 852 CD1 PHE A 88 37.501 -2.055 -18.909 1.00 33.47 C ATOM 853 CD2 PHE A 88 37.065 -0.861 -16.891 1.00 32.32 C ATOM 854 CE1 PHE A 88 36.447 -2.913 -18.634 1.00 32.12 C ATOM 855 CE2 PHE A 88 36.008 -1.709 -16.609 1.00 33.72 C ATOM 856 CZ PHE A 88 35.696 -2.738 -17.484 1.00 34.98 C ATOM 857 H PHE A 88 41.041 -0.946 -16.915 1.00 0.00 H ATOM 858 N GLU A 89 42.361 0.155 -19.510 1.00 41.13 N ATOM 859 CA GLU A 89 43.277 1.013 -20.261 1.00 43.54 C ATOM 860 C GLU A 89 43.937 0.240 -21.403 1.00 46.38 C ATOM 861 O GLU A 89 44.375 0.827 -22.395 1.00 55.57 O ATOM 862 CB GLU A 89 44.350 1.615 -19.340 1.00 43.24 C ATOM 863 CG GLU A 89 43.817 2.280 -18.065 1.00 40.13 C ATOM 864 CD GLU A 89 43.119 3.607 -18.325 1.00 47.48 C ATOM 865 OE1 GLU A 89 43.825 4.617 -18.533 1.00 52.40 O ATOM 866 OE2 GLU A 89 41.868 3.646 -18.317 1.00 48.09 O ATOM 867 H GLU A 89 42.748 -0.501 -18.802 1.00 0.00 H TER 868 GLU A 89 ATOM 869 N MET X 0 28.040 -7.685 -6.909 1.00 34.49 N ATOM 870 CA MET X 0 29.397 -7.556 -6.379 1.00 29.49 C ATOM 871 C MET X 0 29.417 -7.819 -4.878 1.00 27.35 C ATOM 872 O MET X 0 28.443 -7.521 -4.181 1.00 30.95 O ATOM 873 CB MET X 0 29.958 -6.159 -6.648 1.00 28.32 C ATOM 874 CG MET X 0 30.488 -5.941 -8.059 1.00 32.66 C ATOM 875 SD MET X 0 31.494 -4.443 -8.177 1.00 40.98 S ATOM 876 CE MET X 0 30.230 -3.172 -8.035 1.00 32.96 C ATOM 877 HN3 MET X 0 27.418 -6.997 -6.438 1.00 0.00 H ATOM 878 HN2 MET X 0 27.690 -8.648 -6.731 1.00 0.00 H ATOM 879 HN1 MET X 0 28.050 -7.502 -7.933 1.00 0.00 H ATOM 880 N SER X 1 30.525 -8.367 -4.378 1.00 23.37 N ATOM 881 CA SER X 1 30.711 -8.521 -2.930 1.00 21.45 C ATOM 882 C SER X 1 30.974 -7.168 -2.288 1.00 21.14 C ATOM 883 O SER X 1 31.184 -6.176 -2.987 1.00 20.25 O ATOM 884 CB SER X 1 31.909 -9.422 -2.645 1.00 20.61 C ATOM 885 OG SER X 1 33.105 -8.757 -3.018 1.00 18.57 O ATOM 886 HG SER X 1 33.880 -9.344 -2.832 1.00 0.00 H ATOM 887 H SER X 1 31.271 -8.691 -5.026 1.00 0.00 H ATOM 888 N GLU X 2 30.976 -7.124 -0.957 1.00 18.21 N ATOM 889 CA GLU X 2 31.323 -5.900 -0.248 1.00 20.10 C ATOM 890 C GLU X 2 32.745 -5.462 -0.576 1.00 16.67 C ATOM 891 O GLU X 2 33.006 -4.277 -0.767 1.00 17.70 O ATOM 892 CB GLU X 2 31.154 -6.087 1.263 1.00 23.50 C ATOM 893 CG GLU X 2 29.714 -6.374 1.675 1.00 28.42 C ATOM 894 CD GLU X 2 28.758 -5.293 1.199 1.00 34.95 C ATOM 895 OE1 GLU X 2 28.995 -4.110 1.522 1.00 32.63 O ATOM 896 OE2 GLU X 2 27.777 -5.622 0.499 1.00 36.96 O ATOM 897 H GLU X 2 30.726 -7.976 -0.416 1.00 0.00 H ATOM 898 N LEU X 3 33.663 -6.417 -0.651 1.00 17.95 N ATOM 899 CA LEU X 3 35.052 -6.116 -0.994 1.00 17.43 C ATOM 900 C LEU X 3 35.152 -5.531 -2.402 1.00 16.73 C ATOM 901 O LEU X 3 35.835 -4.533 -2.627 1.00 16.16 O ATOM 902 CB LEU X 3 35.921 -7.381 -0.867 1.00 17.92 C ATOM 903 CG LEU X 3 37.388 -7.269 -1.301 1.00 14.25 C ATOM 904 CD1 LEU X 3 38.083 -6.068 -0.621 1.00 18.44 C ATOM 905 CD2 LEU X 3 38.122 -8.577 -0.979 1.00 16.40 C ATOM 906 H LEU X 3 33.388 -7.402 -0.462 1.00 0.00 H ATOM 907 N GLU X 4 34.445 -6.128 -3.350 1.00 16.33 N ATOM 908 CA GLU X 4 34.471 -5.620 -4.712 1.00 18.44 C ATOM 909 C GLU X 4 33.870 -4.220 -4.786 1.00 17.80 C ATOM 910 O GLU X 4 34.398 -3.351 -5.473 1.00 19.31 O ATOM 911 CB GLU X 4 33.749 -6.576 -5.654 1.00 20.36 C ATOM 912 CG GLU X 4 34.533 -7.849 -5.885 1.00 18.81 C ATOM 913 CD GLU X 4 33.724 -8.930 -6.560 1.00 24.22 C ATOM 914 OE1 GLU X 4 32.486 -8.964 -6.395 1.00 25.09 O ATOM 915 OE2 GLU X 4 34.346 -9.760 -7.253 1.00 23.72 O ATOM 916 H GLU X 4 33.869 -6.963 -3.119 1.00 0.00 H ATOM 917 N LYS X 5 32.762 -4.009 -4.086 1.00 17.69 N ATOM 918 CA LYS X 5 32.185 -2.664 -4.001 1.00 18.00 C ATOM 919 C LYS X 5 33.179 -1.664 -3.417 1.00 16.74 C ATOM 920 O LYS X 5 33.252 -0.518 -3.861 1.00 17.49 O ATOM 921 CB LYS X 5 30.925 -2.667 -3.140 1.00 19.25 C ATOM 922 CG LYS X 5 29.701 -3.351 -3.759 1.00 24.58 C ATOM 923 CD LYS X 5 28.563 -3.303 -2.738 1.00 27.24 C ATOM 924 CE LYS X 5 27.348 -4.118 -3.166 1.00 39.30 C ATOM 925 NZ LYS X 5 26.419 -4.325 -2.015 1.00 45.52 N ATOM 926 HZ1 LYS X 5 26.916 -4.835 -1.257 1.00 0.00 H ATOM 927 HZ2 LYS X 5 26.097 -3.402 -1.660 1.00 0.00 H ATOM 928 HZ3 LYS X 5 25.599 -4.882 -2.329 1.00 0.00 H ATOM 929 H LYS X 5 32.301 -4.802 -3.595 1.00 0.00 H ATOM 930 N ALA X 6 33.941 -2.090 -2.417 1.00 16.40 N ATOM 931 CA ALA X 6 34.907 -1.188 -1.786 1.00 17.16 C ATOM 932 C ALA X 6 36.020 -0.808 -2.764 1.00 15.59 C ATOM 933 O ALA X 6 36.408 0.366 -2.860 1.00 14.37 O ATOM 934 CB ALA X 6 35.480 -1.812 -0.522 1.00 16.28 C ATOM 935 H ALA X 6 33.852 -3.070 -2.080 1.00 0.00 H ATOM 936 N VAL X 7 36.507 -1.794 -3.513 1.00 18.51 N ATOM 937 CA VAL X 7 37.565 -1.542 -4.494 1.00 17.23 C ATOM 938 C VAL X 7 37.119 -0.505 -5.521 1.00 18.87 C ATOM 939 O VAL X 7 37.860 0.434 -5.834 1.00 16.09 O ATOM 940 CB VAL X 7 37.999 -2.831 -5.211 1.00 20.18 C ATOM 941 CG1 VAL X 7 38.848 -2.500 -6.434 1.00 18.04 C ATOM 942 CG2 VAL X 7 38.771 -3.727 -4.258 1.00 19.78 C ATOM 943 H VAL X 7 36.131 -2.757 -3.400 1.00 0.00 H ATOM 944 N VAL X 8 35.902 -0.667 -6.026 1.00 18.50 N ATOM 945 CA VAL X 8 35.346 0.258 -7.012 1.00 16.69 C ATOM 946 C VAL X 8 35.110 1.632 -6.394 1.00 18.39 C ATOM 947 O VAL X 8 35.328 2.650 -7.040 1.00 17.04 O ATOM 948 CB VAL X 8 34.049 -0.295 -7.636 1.00 20.64 C ATOM 949 CG1 VAL X 8 33.463 0.704 -8.641 1.00 21.54 C ATOM 950 CG2 VAL X 8 34.328 -1.634 -8.317 1.00 20.84 C ATOM 951 H VAL X 8 35.328 -1.475 -5.711 1.00 0.00 H ATOM 952 N ALA X 9 34.707 1.663 -5.127 1.00 16.80 N ATOM 953 CA ALA X 9 34.521 2.941 -4.423 1.00 15.39 C ATOM 954 C ALA X 9 35.823 3.733 -4.279 1.00 16.46 C ATOM 955 O ALA X 9 35.820 4.969 -4.368 1.00 15.13 O ATOM 956 CB ALA X 9 33.868 2.721 -3.058 1.00 16.56 C ATOM 957 H ALA X 9 34.521 0.771 -4.627 1.00 0.00 H ATOM 958 N LEU X 10 36.936 3.039 -4.053 1.00 15.45 N ATOM 959 CA LEU X 10 38.238 3.703 -4.017 1.00 14.61 C ATOM 960 C LEU X 10 38.565 4.358 -5.351 1.00 16.48 C ATOM 961 O LEU X 10 38.993 5.518 -5.411 1.00 16.04 O ATOM 962 CB LEU X 10 39.334 2.705 -3.684 1.00 14.97 C ATOM 963 CG LEU X 10 39.169 2.041 -2.322 1.00 15.42 C ATOM 964 CD1 LEU X 10 40.357 1.115 -2.106 1.00 18.61 C ATOM 965 CD2 LEU X 10 39.095 3.110 -1.229 1.00 18.36 C ATOM 966 H LEU X 10 36.879 2.012 -3.900 1.00 0.00 H ATOM 967 N ILE X 11 38.373 3.605 -6.422 1.00 15.99 N ATOM 968 CA ILE X 11 38.603 4.148 -7.757 1.00 14.08 C ATOM 969 C ILE X 11 37.679 5.354 -7.996 1.00 15.21 C ATOM 970 O ILE X 11 38.138 6.400 -8.470 1.00 16.11 O ATOM 971 CB ILE X 11 38.438 3.069 -8.834 1.00 16.11 C ATOM 972 CG1 ILE X 11 39.546 2.024 -8.666 1.00 18.08 C ATOM 973 CG2 ILE X 11 38.513 3.682 -10.226 1.00 19.82 C ATOM 974 CD1 ILE X 11 39.343 0.726 -9.461 1.00 20.86 C ATOM 975 H ILE X 11 38.056 2.621 -6.312 1.00 0.00 H ATOM 976 N ASP X 12 36.402 5.223 -7.635 1.00 15.03 N ATOM 977 CA ASP X 12 35.414 6.280 -7.904 1.00 16.29 C ATOM 978 C ASP X 12 35.743 7.566 -7.175 1.00 17.71 C ATOM 979 O ASP X 12 35.710 8.640 -7.774 1.00 14.43 O ATOM 980 CB ASP X 12 33.993 5.844 -7.536 1.00 18.29 C ATOM 981 CG ASP X 12 33.329 5.025 -8.627 1.00 26.41 C ATOM 982 OD1 ASP X 12 33.874 5.004 -9.738 1.00 28.51 O ATOM 983 OD2 ASP X 12 32.270 4.418 -8.382 1.00 23.43 O ATOM 984 H ASP X 12 36.097 4.354 -7.152 1.00 0.00 H ATOM 985 N VAL X 13 36.041 7.471 -5.877 1.00 15.04 N ATOM 986 CA VAL X 13 36.339 8.690 -5.121 1.00 15.81 C ATOM 987 C VAL X 13 37.616 9.382 -5.612 1.00 15.61 C ATOM 988 O VAL X 13 37.686 10.614 -5.646 1.00 15.82 O ATOM 989 CB VAL X 13 36.362 8.456 -3.581 1.00 16.31 C ATOM 990 CG1 VAL X 13 37.637 7.699 -3.159 1.00 17.55 C ATOM 991 CG2 VAL X 13 36.258 9.781 -2.834 1.00 19.02 C ATOM 992 H VAL X 13 36.061 6.543 -5.408 1.00 0.00 H ATOM 993 N PHE X 14 38.621 8.608 -6.010 1.00 15.08 N ATOM 994 CA PHE X 14 39.862 9.198 -6.504 1.00 15.79 C ATOM 995 C PHE X 14 39.592 10.073 -7.729 1.00 18.20 C ATOM 996 O PHE X 14 40.042 11.216 -7.815 1.00 17.81 O ATOM 997 CB PHE X 14 40.871 8.114 -6.882 1.00 16.34 C ATOM 998 CG PHE X 14 42.137 8.658 -7.476 1.00 15.29 C ATOM 999 CD1 PHE X 14 43.119 9.210 -6.657 1.00 15.47 C ATOM 1000 CD2 PHE X 14 42.342 8.648 -8.852 1.00 20.48 C ATOM 1001 CE1 PHE X 14 44.294 9.726 -7.200 1.00 17.05 C ATOM 1002 CE2 PHE X 14 43.512 9.175 -9.409 1.00 20.15 C ATOM 1003 CZ PHE X 14 44.489 9.705 -8.581 1.00 18.98 C ATOM 1004 H PHE X 14 38.522 7.573 -5.969 1.00 0.00 H ATOM 1005 N HIS X 15 38.835 9.526 -8.667 1.00 16.55 N ATOM 1006 CA HIS X 15 38.589 10.208 -9.931 1.00 20.03 C ATOM 1007 C HIS X 15 37.621 11.368 -9.794 1.00 19.73 C ATOM 1008 O HIS X 15 37.760 12.372 -10.493 1.00 20.43 O ATOM 1009 CB HIS X 15 38.111 9.213 -10.980 1.00 21.52 C ATOM 1010 CG HIS X 15 39.222 8.416 -11.572 1.00 21.44 C ATOM 1011 ND1 HIS X 15 40.061 8.925 -12.541 1.00 25.39 N ATOM 1012 CD2 HIS X 15 39.656 7.160 -11.318 1.00 18.44 C ATOM 1013 CE1 HIS X 15 40.957 8.011 -12.864 1.00 21.86 C ATOM 1014 NE2 HIS X 15 40.731 6.933 -12.140 1.00 24.95 N ATOM 1015 H HIS X 15 38.408 8.593 -8.499 1.00 0.00 H ATOM 1016 N GLN X 16 36.657 11.236 -8.886 1.00 20.48 N ATOM 1017 CA GLN X 16 35.752 12.335 -8.582 1.00 17.88 C ATOM 1018 C GLN X 16 36.533 13.580 -8.244 1.00 20.54 C ATOM 1019 O GLN X 16 36.183 14.678 -8.680 1.00 22.20 O ATOM 1020 CB GLN X 16 34.848 11.988 -7.412 1.00 20.20 C ATOM 1021 CG GLN X 16 33.610 11.223 -7.801 1.00 25.28 C ATOM 1022 CD GLN X 16 33.054 10.440 -6.637 1.00 25.23 C ATOM 1023 OE1 GLN X 16 33.282 10.790 -5.470 1.00 24.74 O ATOM 1024 NE2 GLN X 16 32.328 9.362 -6.943 1.00 27.37 N ATOM 1025 HE22 GLN X 16 32.165 9.110 -7.939 1.00 0.00 H ATOM 1026 HE21 GLN X 16 31.925 8.774 -6.185 1.00 0.00 H ATOM 1027 H GLN X 16 36.548 10.331 -8.385 1.00 0.00 H ATOM 1028 N TYR X 17 37.602 13.404 -7.472 1.00 17.88 N ATOM 1029 CA TYR X 17 38.435 14.536 -7.059 1.00 18.10 C ATOM 1030 C TYR X 17 39.603 14.876 -7.979 1.00 19.51 C ATOM 1031 O TYR X 17 39.905 16.047 -8.182 1.00 17.51 O ATOM 1032 CB TYR X 17 38.893 14.361 -5.605 1.00 15.61 C ATOM 1033 CG TYR X 17 37.726 14.583 -4.686 1.00 14.00 C ATOM 1034 CD1 TYR X 17 36.813 13.562 -4.432 1.00 16.61 C ATOM 1035 CD2 TYR X 17 37.494 15.831 -4.130 1.00 17.87 C ATOM 1036 CE1 TYR X 17 35.706 13.777 -3.624 1.00 18.17 C ATOM 1037 CE2 TYR X 17 36.408 16.053 -3.326 1.00 18.10 C ATOM 1038 CZ TYR X 17 35.521 15.025 -3.072 1.00 15.52 C ATOM 1039 OH TYR X 17 34.438 15.273 -2.272 1.00 18.93 O ATOM 1040 HH TYR X 17 33.899 14.447 -2.183 1.00 0.00 H ATOM 1041 H TYR X 17 37.851 12.445 -7.156 1.00 0.00 H ATOM 1042 N SER X 18 40.262 13.869 -8.534 1.00 15.51 N ATOM 1043 CA SER X 18 41.429 14.117 -9.375 1.00 17.46 C ATOM 1044 C SER X 18 41.024 14.748 -10.708 1.00 18.15 C ATOM 1045 O SER X 18 41.827 15.439 -11.343 1.00 19.86 O ATOM 1046 CB SER X 18 42.229 12.834 -9.618 1.00 15.73 C ATOM 1047 OG SER X 18 41.551 11.965 -10.521 1.00 17.96 O ATOM 1048 HG SER X 18 41.423 12.426 -11.388 1.00 0.00 H ATOM 1049 H SER X 18 39.945 12.893 -8.369 1.00 0.00 H ATOM 1050 N GLY X 19 39.779 14.526 -11.116 1.00 19.43 N ATOM 1051 CA GLY X 19 39.307 15.023 -12.401 1.00 19.94 C ATOM 1052 C GLY X 19 38.872 16.477 -12.383 1.00 22.30 C ATOM 1053 O GLY X 19 38.506 17.029 -13.420 1.00 21.31 O ATOM 1054 H GLY X 19 39.130 13.988 -10.507 1.00 0.00 H ATOM 1055 N ARG X 20 38.915 17.113 -11.216 1.00 18.03 N ATOM 1056 CA ARG X 20 38.410 18.485 -11.095 1.00 19.56 C ATOM 1057 C ARG X 20 39.276 19.526 -11.804 1.00 22.12 C ATOM 1058 O ARG X 20 38.767 20.410 -12.524 1.00 22.00 O ATOM 1059 CB ARG X 20 38.269 18.866 -9.618 1.00 18.81 C ATOM 1060 CG ARG X 20 37.097 18.206 -8.919 1.00 20.01 C ATOM 1061 CD ARG X 20 37.127 18.509 -7.423 1.00 21.36 C ATOM 1062 NE ARG X 20 35.927 18.039 -6.739 1.00 21.85 N ATOM 1063 CZ ARG X 20 35.538 18.470 -5.545 1.00 19.49 C ATOM 1064 NH1 ARG X 20 36.254 19.387 -4.918 1.00 19.57 N ATOM 1065 NH2 ARG X 20 34.433 17.995 -4.987 1.00 20.19 N ATOM 1066 HE ARG X 20 35.341 17.324 -7.215 1.00 0.00 H ATOM 1067 HH12 ARG X 20 35.956 19.730 -3.982 1.00 0.00 H ATOM 1068 HH11 ARG X 20 37.116 19.766 -5.360 1.00 0.00 H ATOM 1069 HH22 ARG X 20 34.134 18.337 -4.051 1.00 0.00 H ATOM 1070 HH21 ARG X 20 33.865 17.280 -5.485 1.00 0.00 H ATOM 1071 H ARG X 20 39.310 16.634 -10.382 1.00 0.00 H ATOM 1072 N GLU X 21 40.579 19.460 -11.572 1.00 20.81 N ATOM 1073 CA GLU X 21 41.484 20.473 -12.116 1.00 23.40 C ATOM 1074 C GLU X 21 42.774 19.842 -12.621 1.00 23.76 C ATOM 1075 O GLU X 21 43.164 18.758 -12.169 1.00 21.14 O ATOM 1076 CB GLU X 21 41.816 21.535 -11.053 1.00 25.95 C ATOM 1077 CG GLU X 21 40.618 22.279 -10.469 1.00 30.35 C ATOM 1078 CD GLU X 21 41.031 23.331 -9.450 1.00 36.26 C ATOM 1079 OE1 GLU X 21 42.240 23.640 -9.379 1.00 40.12 O ATOM 1080 OE2 GLU X 21 40.151 23.844 -8.721 1.00 34.82 O ATOM 1081 H GLU X 21 40.962 18.682 -10.998 1.00 0.00 H ATOM 1082 N GLY X 22 43.444 20.531 -13.543 1.00 22.15 N ATOM 1083 CA GLY X 22 44.752 20.108 -14.019 1.00 19.66 C ATOM 1084 C GLY X 22 44.800 18.687 -14.547 1.00 22.00 C ATOM 1085 O GLY X 22 43.901 18.261 -15.284 1.00 24.78 O ATOM 1086 H GLY X 22 43.020 21.396 -13.934 1.00 0.00 H ATOM 1087 N ASP X 23 45.846 17.954 -14.172 1.00 22.23 N ATOM 1088 CA ASP X 23 45.955 16.544 -14.523 1.00 24.86 C ATOM 1089 C ASP X 23 44.740 15.838 -13.927 1.00 24.91 C ATOM 1090 O ASP X 23 44.522 15.895 -12.713 1.00 21.75 O ATOM 1091 CB ASP X 23 47.249 15.959 -13.959 1.00 22.67 C ATOM 1092 CG ASP X 23 47.527 14.552 -14.460 1.00 25.21 C ATOM 1093 OD1 ASP X 23 46.569 13.783 -14.697 1.00 24.63 O ATOM 1094 OD2 ASP X 23 48.720 14.212 -14.608 1.00 26.34 O ATOM 1095 H ASP X 23 46.604 18.398 -13.615 1.00 0.00 H ATOM 1096 N LYS X 24 43.944 15.191 -14.779 1.00 22.47 N ATOM 1097 CA LYS X 24 42.718 14.546 -14.314 1.00 24.15 C ATOM 1098 C LYS X 24 42.997 13.220 -13.635 1.00 22.89 C ATOM 1099 O LYS X 24 42.078 12.557 -13.154 1.00 22.97 O ATOM 1100 CB LYS X 24 41.739 14.336 -15.468 1.00 24.12 C ATOM 1101 CG LYS X 24 41.249 15.624 -16.116 1.00 24.21 C ATOM 1102 CD LYS X 24 39.892 15.429 -16.781 1.00 27.17 C ATOM 1103 CE LYS X 24 39.385 16.743 -17.353 1.00 27.86 C ATOM 1104 NZ LYS X 24 37.957 16.690 -17.751 1.00 34.34 N ATOM 1105 HZ1 LYS X 24 37.828 15.958 -18.478 1.00 0.00 H ATOM 1106 HZ2 LYS X 24 37.375 16.461 -16.920 1.00 0.00 H ATOM 1107 HZ3 LYS X 24 37.670 17.614 -18.133 1.00 0.00 H ATOM 1108 H LYS X 24 44.199 15.145 -15.786 1.00 0.00 H ATOM 1109 N HIS X 25 44.263 12.825 -13.606 1.00 22.05 N ATOM 1110 CA HIS X 25 44.620 11.536 -13.031 1.00 19.75 C ATOM 1111 C HIS X 25 45.500 11.685 -11.798 1.00 20.44 C ATOM 1112 O HIS X 25 46.057 10.706 -11.300 1.00 19.49 O ATOM 1113 CB HIS X 25 45.285 10.643 -14.082 1.00 26.59 C ATOM 1114 CG HIS X 25 44.424 10.399 -15.277 1.00 25.56 C ATOM 1115 ND1 HIS X 25 43.551 9.336 -15.361 1.00 30.71 N ATOM 1116 CD2 HIS X 25 44.281 11.094 -16.433 1.00 29.58 C ATOM 1117 CE1 HIS X 25 42.915 9.379 -16.517 1.00 30.54 C ATOM 1118 NE2 HIS X 25 43.338 10.443 -17.183 1.00 32.22 N ATOM 1119 H HIS X 25 45.005 13.440 -13.996 1.00 0.00 H ATOM 1120 N LYS X 26 45.615 12.915 -11.307 1.00 19.30 N ATOM 1121 CA LYS X 26 46.328 13.181 -10.059 1.00 19.16 C ATOM 1122 C LYS X 26 45.561 14.190 -9.211 1.00 18.87 C ATOM 1123 O LYS X 26 44.809 15.012 -9.737 1.00 19.30 O ATOM 1124 CB LYS X 26 47.735 13.729 -10.321 1.00 22.74 C ATOM 1125 CG LYS X 26 48.632 12.841 -11.170 1.00 24.83 C ATOM 1126 CD LYS X 26 50.010 13.475 -11.300 1.00 27.15 C ATOM 1127 CE LYS X 26 50.866 12.744 -12.310 1.00 32.56 C ATOM 1128 NZ LYS X 26 52.173 13.445 -12.519 1.00 31.95 N ATOM 1129 HZ1 LYS X 26 51.996 14.409 -12.868 1.00 0.00 H ATOM 1130 HZ2 LYS X 26 52.689 13.491 -11.617 1.00 0.00 H ATOM 1131 HZ3 LYS X 26 52.739 12.921 -13.217 1.00 0.00 H ATOM 1132 H LYS X 26 45.186 13.709 -11.824 1.00 0.00 H ATOM 1133 N LEU X 27 45.770 14.125 -7.900 1.00 16.32 N ATOM 1134 CA LEU X 27 45.161 15.067 -6.966 1.00 16.61 C ATOM 1135 C LEU X 27 46.135 16.186 -6.648 1.00 16.67 C ATOM 1136 O LEU X 27 47.207 15.918 -6.109 1.00 17.32 O ATOM 1137 CB LEU X 27 44.839 14.355 -5.653 1.00 15.29 C ATOM 1138 CG LEU X 27 43.869 13.183 -5.697 1.00 13.49 C ATOM 1139 CD1 LEU X 27 44.016 12.352 -4.421 1.00 20.02 C ATOM 1140 CD2 LEU X 27 42.438 13.701 -5.838 1.00 16.43 C ATOM 1141 H LEU X 27 46.389 13.377 -7.527 1.00 0.00 H ATOM 1142 N LYS X 28 45.781 17.433 -6.944 1.00 19.02 N ATOM 1143 CA LYS X 28 46.599 18.549 -6.464 1.00 19.01 C ATOM 1144 C LYS X 28 46.192 18.849 -5.023 1.00 19.17 C ATOM 1145 O LYS X 28 45.267 18.212 -4.498 1.00 18.57 O ATOM 1146 CB LYS X 28 46.413 19.801 -7.332 1.00 21.77 C ATOM 1147 CG LYS X 28 44.961 20.203 -7.539 1.00 22.84 C ATOM 1148 CD LYS X 28 44.839 21.636 -8.061 1.00 30.70 C ATOM 1149 CE LYS X 28 45.695 21.874 -9.284 1.00 38.53 C ATOM 1150 NZ LYS X 28 45.205 23.053 -10.059 1.00 35.43 N ATOM 1151 HZ1 LYS X 28 44.226 22.883 -10.365 1.00 0.00 H ATOM 1152 HZ2 LYS X 28 45.239 23.900 -9.457 1.00 0.00 H ATOM 1153 HZ3 LYS X 28 45.810 23.194 -10.893 1.00 0.00 H ATOM 1154 H LYS X 28 44.929 17.615 -7.512 1.00 0.00 H ATOM 1155 N LYS X 29 46.866 19.811 -4.390 1.00 18.93 N ATOM 1156 CA LYS X 29 46.581 20.135 -2.986 1.00 17.97 C ATOM 1157 C LYS X 29 45.103 20.418 -2.730 1.00 19.60 C ATOM 1158 O LYS X 29 44.511 19.867 -1.803 1.00 18.26 O ATOM 1159 CB LYS X 29 47.418 21.320 -2.511 1.00 17.08 C ATOM 1160 CG LYS X 29 48.852 20.981 -2.146 1.00 22.57 C ATOM 1161 CD LYS X 29 49.615 22.267 -1.848 1.00 24.63 C ATOM 1162 CE LYS X 29 51.076 22.002 -1.540 1.00 26.93 C ATOM 1163 NZ LYS X 29 51.757 23.276 -1.153 1.00 24.37 N ATOM 1164 HZ1 LYS X 29 51.690 23.956 -1.937 1.00 0.00 H ATOM 1165 HZ2 LYS X 29 51.295 23.672 -0.309 1.00 0.00 H ATOM 1166 HZ3 LYS X 29 52.757 23.083 -0.944 1.00 0.00 H ATOM 1167 H LYS X 29 47.604 20.339 -4.898 1.00 0.00 H ATOM 1168 N SER X 30 44.494 21.249 -3.562 1.00 20.07 N ATOM 1169 CA SER X 30 43.095 21.601 -3.329 1.00 20.50 C ATOM 1170 C SER X 30 42.148 20.409 -3.489 1.00 19.38 C ATOM 1171 O SER X 30 41.186 20.274 -2.731 1.00 19.54 O ATOM 1172 CB SER X 30 42.659 22.764 -4.227 1.00 21.43 C ATOM 1173 OG SER X 30 42.791 22.418 -5.589 1.00 23.19 O ATOM 1174 HG SER X 30 42.505 23.181 -6.151 1.00 0.00 H ATOM 1175 H SER X 30 45.007 21.648 -4.374 1.00 0.00 H ATOM 1176 N GLU X 31 42.419 19.546 -4.466 1.00 18.77 N ATOM 1177 CA GLU X 31 41.599 18.352 -4.668 1.00 17.56 C ATOM 1178 C GLU X 31 41.718 17.391 -3.485 1.00 19.07 C ATOM 1179 O GLU X 31 40.725 16.810 -3.039 1.00 17.88 O ATOM 1180 CB GLU X 31 41.976 17.636 -5.975 1.00 18.64 C ATOM 1181 CG GLU X 31 41.717 18.459 -7.235 1.00 18.12 C ATOM 1182 CD GLU X 31 42.332 17.835 -8.500 1.00 18.18 C ATOM 1183 OE1 GLU X 31 43.345 17.134 -8.379 1.00 17.77 O ATOM 1184 OE2 GLU X 31 41.817 18.047 -9.620 1.00 20.80 O ATOM 1185 H GLU X 31 43.227 19.724 -5.096 1.00 0.00 H ATOM 1186 N LEU X 32 42.943 17.232 -2.992 1.00 16.95 N ATOM 1187 CA LEU X 32 43.231 16.352 -1.870 1.00 15.79 C ATOM 1188 C LEU X 32 42.557 16.877 -0.607 1.00 15.91 C ATOM 1189 O LEU X 32 41.967 16.107 0.155 1.00 17.66 O ATOM 1190 CB LEU X 32 44.748 16.231 -1.679 1.00 16.61 C ATOM 1191 CG LEU X 32 45.247 15.370 -0.514 1.00 17.49 C ATOM 1192 CD1 LEU X 32 44.727 13.962 -0.660 1.00 19.25 C ATOM 1193 CD2 LEU X 32 46.773 15.353 -0.480 1.00 20.57 C ATOM 1194 H LEU X 32 43.727 17.759 -3.427 1.00 0.00 H ATOM 1195 N LYS X 33 42.616 18.191 -0.411 1.00 15.22 N ATOM 1196 CA LYS X 33 42.014 18.815 0.763 1.00 15.26 C ATOM 1197 C LYS X 33 40.504 18.556 0.778 1.00 17.51 C ATOM 1198 O LYS X 33 39.933 18.146 1.805 1.00 17.41 O ATOM 1199 CB LYS X 33 42.321 20.314 0.817 1.00 15.38 C ATOM 1200 CG LYS X 33 41.585 21.041 1.931 1.00 18.12 C ATOM 1201 CD LYS X 33 41.778 22.554 1.844 1.00 18.71 C ATOM 1202 CE LYS X 33 40.899 23.253 2.873 1.00 23.51 C ATOM 1203 NZ LYS X 33 41.072 24.731 2.813 1.00 23.49 N ATOM 1204 HZ1 LYS X 33 42.065 24.971 3.006 1.00 0.00 H ATOM 1205 HZ2 LYS X 33 40.810 25.071 1.866 1.00 0.00 H ATOM 1206 HZ3 LYS X 33 40.461 25.180 3.525 1.00 0.00 H ATOM 1207 H LYS X 33 43.102 18.788 -1.110 1.00 0.00 H ATOM 1208 N GLU X 34 39.858 18.743 -0.364 1.00 14.01 N ATOM 1209 CA GLU X 34 38.412 18.588 -0.402 1.00 17.73 C ATOM 1210 C GLU X 34 38.038 17.135 -0.261 1.00 16.79 C ATOM 1211 O GLU X 34 37.022 16.821 0.364 1.00 17.73 O ATOM 1212 CB GLU X 34 37.815 19.170 -1.680 1.00 19.08 C ATOM 1213 CG GLU X 34 38.130 20.646 -1.894 1.00 18.47 C ATOM 1214 CD GLU X 34 37.471 21.596 -0.900 1.00 21.25 C ATOM 1215 OE1 GLU X 34 36.766 21.164 0.050 1.00 22.70 O ATOM 1216 OE2 GLU X 34 37.687 22.814 -1.074 1.00 23.89 O ATOM 1217 H GLU X 34 40.381 18.999 -1.226 1.00 0.00 H ATOM 1218 N LEU X 35 38.857 16.242 -0.824 1.00 17.93 N ATOM 1219 CA LEU X 35 38.614 14.815 -0.647 1.00 15.50 C ATOM 1220 C LEU X 35 38.581 14.467 0.842 1.00 15.98 C ATOM 1221 O LEU X 35 37.648 13.807 1.323 1.00 17.20 O ATOM 1222 CB LEU X 35 39.661 13.966 -1.385 1.00 15.72 C ATOM 1223 CG LEU X 35 39.387 12.457 -1.391 1.00 15.92 C ATOM 1224 CD1 LEU X 35 39.896 11.812 -2.660 1.00 16.26 C ATOM 1225 CD2 LEU X 35 40.042 11.781 -0.182 1.00 15.70 C ATOM 1226 H LEU X 35 39.668 16.565 -1.389 1.00 0.00 H ATOM 1227 N ILE X 36 39.583 14.933 1.580 1.00 13.41 N ATOM 1228 CA ILE X 36 39.659 14.611 3.011 1.00 15.49 C ATOM 1229 C ILE X 36 38.493 15.257 3.764 1.00 16.19 C ATOM 1230 O ILE X 36 37.828 14.618 4.575 1.00 15.27 O ATOM 1231 CB ILE X 36 41.028 15.025 3.605 1.00 16.26 C ATOM 1232 CG1 ILE X 36 42.119 14.060 3.121 1.00 18.28 C ATOM 1233 CG2 ILE X 36 40.991 15.077 5.134 1.00 17.25 C ATOM 1234 CD1 ILE X 36 43.509 14.668 3.112 1.00 18.68 C ATOM 1235 H ILE X 36 40.316 15.528 1.143 1.00 0.00 H ATOM 1236 N ASN X 37 38.232 16.526 3.479 1.00 15.67 N ATOM 1237 CA ASN X 37 37.197 17.251 4.205 1.00 15.98 C ATOM 1238 C ASN X 37 35.774 16.783 3.912 1.00 21.26 C ATOM 1239 O ASN X 37 34.921 16.772 4.801 1.00 19.83 O ATOM 1240 CB ASN X 37 37.338 18.750 3.963 1.00 16.83 C ATOM 1241 CG ASN X 37 38.557 19.312 4.639 1.00 18.11 C ATOM 1242 OD1 ASN X 37 39.194 18.617 5.434 1.00 20.60 O ATOM 1243 ND2 ASN X 37 38.887 20.577 4.348 1.00 20.59 N ATOM 1244 HD22 ASN X 37 38.316 21.120 3.670 1.00 0.00 H ATOM 1245 HD21 ASN X 37 39.714 21.016 4.800 1.00 0.00 H ATOM 1246 H ASN X 37 38.771 17.008 2.731 1.00 0.00 H ATOM 1247 N ASN X 38 35.520 16.397 2.673 1.00 15.34 N ATOM 1248 CA ASN X 38 34.192 15.929 2.284 1.00 17.33 C ATOM 1249 C ASN X 38 33.951 14.452 2.538 1.00 18.91 C ATOM 1250 O ASN X 38 32.832 14.050 2.868 1.00 18.78 O ATOM 1251 CB ASN X 38 33.946 16.191 0.797 1.00 17.59 C ATOM 1252 CG ASN X 38 33.886 17.660 0.461 1.00 22.11 C ATOM 1253 OD1 ASN X 38 33.586 18.494 1.318 1.00 20.11 O ATOM 1254 ND2 ASN X 38 34.174 17.990 -0.793 1.00 20.42 N ATOM 1255 HD22 ASN X 38 34.422 17.251 -1.481 1.00 0.00 H ATOM 1256 HD21 ASN X 38 34.152 18.988 -1.086 1.00 0.00 H ATOM 1257 H ASN X 38 36.279 16.427 1.963 1.00 0.00 H ATOM 1258 N GLU X 39 34.991 13.640 2.374 1.00 18.09 N ATOM 1259 CA GLU X 39 34.798 12.186 2.344 1.00 16.59 C ATOM 1260 C GLU X 39 35.357 11.401 3.531 1.00 18.31 C ATOM 1261 O GLU X 39 35.137 10.192 3.625 1.00 18.87 O ATOM 1262 CB GLU X 39 35.350 11.589 1.040 1.00 16.77 C ATOM 1263 CG GLU X 39 34.952 12.340 -0.233 1.00 17.98 C ATOM 1264 CD GLU X 39 33.447 12.435 -0.458 1.00 19.03 C ATOM 1265 OE1 GLU X 39 32.683 11.593 0.079 1.00 19.37 O ATOM 1266 OE2 GLU X 39 33.027 13.362 -1.190 1.00 19.02 O ATOM 1267 H GLU X 39 35.946 14.038 2.266 1.00 0.00 H ATOM 1268 N LEU X 40 36.085 12.074 4.414 1.00 17.47 N ATOM 1269 CA LEU X 40 36.614 11.445 5.620 1.00 18.98 C ATOM 1270 C LEU X 40 36.245 12.278 6.851 1.00 19.79 C ATOM 1271 O LEU X 40 36.979 12.318 7.842 1.00 22.02 O ATOM 1272 CB LEU X 40 38.131 11.256 5.511 1.00 18.64 C ATOM 1273 CG LEU X 40 38.590 10.296 4.409 1.00 18.02 C ATOM 1274 CD1 LEU X 40 40.075 10.444 4.191 1.00 19.10 C ATOM 1275 CD2 LEU X 40 38.266 8.862 4.800 1.00 19.77 C ATOM 1276 H LEU X 40 36.284 13.080 4.241 1.00 0.00 H ATOM 1277 N SER X 41 35.090 12.937 6.782 1.00 20.50 N ATOM 1278 CA SER X 41 34.669 13.859 7.836 1.00 23.14 C ATOM 1279 C SER X 41 34.419 13.187 9.187 1.00 26.30 C ATOM 1280 O SER X 41 34.390 13.859 10.218 1.00 26.91 O ATOM 1281 CB SER X 41 33.418 14.629 7.407 1.00 25.10 C ATOM 1282 OG SER X 41 32.314 13.756 7.252 1.00 25.66 O ATOM 1283 HG SER X 41 32.524 13.080 6.560 1.00 0.00 H ATOM 1284 H SER X 41 34.472 12.792 5.958 1.00 0.00 H ATOM 1285 N HIS X 42 34.232 11.870 9.190 1.00 22.73 N ATOM 1286 CA HIS X 42 33.983 11.147 10.443 1.00 26.98 C ATOM 1287 C HIS X 42 35.250 10.548 11.061 1.00 26.02 C ATOM 1288 O HIS X 42 35.272 10.213 12.252 1.00 36.38 O ATOM 1289 CB HIS X 42 32.929 10.048 10.236 1.00 27.68 C ATOM 1290 CG HIS X 42 31.649 10.540 9.637 1.00 25.38 C ATOM 1291 ND1 HIS X 42 31.326 10.356 8.308 1.00 27.00 N ATOM 1292 CD2 HIS X 42 30.604 11.211 10.185 1.00 30.68 C ATOM 1293 CE1 HIS X 42 30.144 10.894 8.062 1.00 28.35 C ATOM 1294 NE2 HIS X 42 29.686 11.419 9.185 1.00 31.97 N ATOM 1295 H HIS X 42 34.263 11.345 8.292 1.00 0.00 H ATOM 1296 N PHE X 43 36.295 10.416 10.251 1.00 26.35 N ATOM 1297 CA PHE X 43 37.527 9.739 10.648 1.00 30.96 C ATOM 1298 C PHE X 43 38.624 10.748 10.959 1.00 32.46 C ATOM 1299 O PHE X 43 39.306 10.648 11.979 1.00 27.65 O ATOM 1300 CB PHE X 43 38.029 8.832 9.516 1.00 30.23 C ATOM 1301 CG PHE X 43 37.212 7.577 9.303 1.00 37.30 C ATOM 1302 CD1 PHE X 43 37.482 6.751 8.217 1.00 35.67 C ATOM 1303 CD2 PHE X 43 36.188 7.216 10.175 1.00 38.26 C ATOM 1304 CE1 PHE X 43 36.753 5.589 7.999 1.00 30.06 C ATOM 1305 CE2 PHE X 43 35.449 6.045 9.963 1.00 35.30 C ATOM 1306 CZ PHE X 43 35.733 5.236 8.871 1.00 28.86 C ATOM 1307 H PHE X 43 36.233 10.812 9.292 1.00 0.00 H ATOM 1308 N LEU X 44 38.789 11.712 10.055 1.00 27.17 N ATOM 1309 CA LEU X 44 39.883 12.672 10.117 1.00 26.05 C ATOM 1310 C LEU X 44 39.371 14.064 10.448 1.00 28.30 C ATOM 1311 O LEU X 44 38.313 14.471 9.977 1.00 25.73 O ATOM 1312 CB LEU X 44 40.633 12.730 8.778 1.00 29.87 C ATOM 1313 CG LEU X 44 41.306 11.471 8.236 1.00 30.61 C ATOM 1314 CD1 LEU X 44 42.365 11.836 7.179 1.00 28.56 C ATOM 1315 CD2 LEU X 44 41.918 10.674 9.379 1.00 35.29 C ATOM 1316 H LEU X 44 38.108 11.782 9.272 1.00 0.00 H ATOM 1317 N GLU X 45 40.129 14.778 11.270 1.00 26.90 N ATOM 1318 CA GLU X 45 39.871 16.184 11.540 1.00 29.38 C ATOM 1319 C GLU X 45 39.778 16.982 10.242 1.00 27.85 C ATOM 1320 O GLU X 45 40.602 16.797 9.341 1.00 25.85 O ATOM 1321 CB GLU X 45 41.027 16.738 12.357 1.00 36.75 C ATOM 1322 CG GLU X 45 40.733 18.018 13.082 1.00 36.30 C ATOM 1323 CD GLU X 45 41.233 17.950 14.507 1.00 49.38 C ATOM 1324 OE1 GLU X 45 42.370 18.398 14.755 1.00 50.79 O ATOM 1325 OE2 GLU X 45 40.499 17.413 15.368 1.00 51.61 O ATOM 1326 H GLU X 45 40.935 14.317 11.737 1.00 0.00 H ATOM 1327 N GLU X 46 38.789 17.872 10.146 1.00 27.61 N ATOM 1328 CA GLU X 46 38.681 18.742 8.983 1.00 21.09 C ATOM 1329 C GLU X 46 39.950 19.584 8.879 1.00 25.09 C ATOM 1330 O GLU X 46 40.471 20.080 9.889 1.00 24.01 O ATOM 1331 CB GLU X 46 37.451 19.657 9.076 1.00 24.24 C ATOM 1332 CG GLU X 46 37.373 20.718 7.956 1.00 24.30 C ATOM 1333 CD GLU X 46 36.160 21.633 8.081 1.00 29.96 C ATOM 1334 OE1 GLU X 46 35.382 21.465 9.044 1.00 34.23 O ATOM 1335 OE2 GLU X 46 35.984 22.514 7.210 1.00 29.32 O ATOM 1336 H GLU X 46 38.087 17.945 10.910 1.00 0.00 H ATOM 1337 N ILE X 47 40.456 19.730 7.660 1.00 20.44 N ATOM 1338 CA ILE X 47 41.671 20.495 7.434 1.00 20.08 C ATOM 1339 C ILE X 47 41.300 21.935 7.141 1.00 22.77 C ATOM 1340 O ILE X 47 40.569 22.214 6.178 1.00 20.45 O ATOM 1341 CB ILE X 47 42.490 19.931 6.252 1.00 22.30 C ATOM 1342 CG1 ILE X 47 42.931 18.500 6.553 1.00 22.17 C ATOM 1343 CG2 ILE X 47 43.701 20.817 5.981 1.00 22.03 C ATOM 1344 CD1 ILE X 47 43.622 17.798 5.384 1.00 23.57 C ATOM 1345 H ILE X 47 39.974 19.288 6.851 1.00 0.00 H ATOM 1346 N LYS X 48 41.792 22.846 7.984 1.00 20.41 N ATOM 1347 CA LYS X 48 41.519 24.271 7.826 1.00 22.55 C ATOM 1348 C LYS X 48 42.780 25.141 7.748 1.00 22.67 C ATOM 1349 O LYS X 48 42.677 26.364 7.709 1.00 27.72 O ATOM 1350 CB LYS X 48 40.657 24.777 8.987 1.00 25.74 C ATOM 1351 CG LYS X 48 39.404 23.974 9.264 1.00 27.41 C ATOM 1352 CD LYS X 48 38.665 24.547 10.469 1.00 27.24 C ATOM 1353 CE LYS X 48 37.451 23.705 10.802 1.00 32.82 C ATOM 1354 NZ LYS X 48 36.776 24.213 12.020 1.00 31.85 N ATOM 1355 HZ1 LYS X 48 37.438 24.179 12.821 1.00 0.00 H ATOM 1356 HZ2 LYS X 48 36.471 25.195 11.862 1.00 0.00 H ATOM 1357 HZ3 LYS X 48 35.947 23.620 12.228 1.00 0.00 H ATOM 1358 H LYS X 48 42.387 22.531 8.776 1.00 0.00 H ATOM 1359 N GLU X 49 43.961 24.529 7.768 1.00 20.98 N ATOM 1360 CA GLU X 49 45.213 25.301 7.745 1.00 22.19 C ATOM 1361 C GLU X 49 46.042 24.902 6.540 1.00 21.65 C ATOM 1362 O GLU X 49 46.153 23.713 6.255 1.00 22.59 O ATOM 1363 CB GLU X 49 46.043 25.036 9.007 1.00 25.71 C ATOM 1364 CG GLU X 49 45.508 25.672 10.285 1.00 22.99 C ATOM 1365 CD GLU X 49 45.398 27.187 10.195 1.00 28.31 C ATOM 1366 OE1 GLU X 49 46.259 27.830 9.549 1.00 27.34 O ATOM 1367 OE2 GLU X 49 44.445 27.741 10.781 1.00 30.10 O ATOM 1368 H GLU X 49 44.000 23.490 7.800 1.00 0.00 H ATOM 1369 N GLN X 50 46.634 25.881 5.853 1.00 24.19 N ATOM 1370 CA GLN X 50 47.488 25.598 4.699 1.00 23.25 C ATOM 1371 C GLN X 50 48.626 24.664 5.101 1.00 19.95 C ATOM 1372 O GLN X 50 49.026 23.780 4.334 1.00 21.49 O ATOM 1373 CB GLN X 50 48.079 26.895 4.137 1.00 24.00 C ATOM 1374 CG GLN X 50 48.872 26.716 2.833 1.00 22.31 C ATOM 1375 CD GLN X 50 47.988 26.290 1.685 1.00 26.28 C ATOM 1376 OE1 GLN X 50 47.002 26.957 1.377 1.00 31.95 O ATOM 1377 NE2 GLN X 50 48.321 25.164 1.055 1.00 24.32 N ATOM 1378 HE22 GLN X 50 49.165 24.633 1.351 1.00 0.00 H ATOM 1379 HE21 GLN X 50 47.737 24.817 0.268 1.00 0.00 H ATOM 1380 H GLN X 50 46.485 26.868 6.145 1.00 0.00 H ATOM 1381 N GLU X 51 49.151 24.866 6.305 1.00 20.16 N ATOM 1382 CA GLU X 51 50.309 24.102 6.746 1.00 20.90 C ATOM 1383 C GLU X 51 49.959 22.625 6.865 1.00 21.39 C ATOM 1384 O GLU X 51 50.799 21.757 6.615 1.00 18.56 O ATOM 1385 CB GLU X 51 50.882 24.654 8.061 1.00 22.94 C ATOM 1386 CG GLU X 51 49.952 24.509 9.261 1.00 26.12 C ATOM 1387 CD GLU X 51 50.368 25.352 10.458 1.00 31.68 C ATOM 1388 OE1 GLU X 51 51.226 26.255 10.318 1.00 30.53 O ATOM 1389 OE2 GLU X 51 49.806 25.116 11.547 1.00 31.54 O ATOM 1390 H GLU X 51 48.731 25.576 6.938 1.00 0.00 H ATOM 1391 N VAL X 52 48.707 22.335 7.212 1.00 20.69 N ATOM 1392 CA VAL X 52 48.288 20.943 7.329 1.00 20.16 C ATOM 1393 C VAL X 52 48.130 20.329 5.944 1.00 19.88 C ATOM 1394 O VAL X 52 48.597 19.213 5.708 1.00 20.10 O ATOM 1395 CB VAL X 52 47.000 20.806 8.138 1.00 21.65 C ATOM 1396 CG1 VAL X 52 46.526 19.352 8.166 1.00 20.70 C ATOM 1397 CG2 VAL X 52 47.239 21.307 9.558 1.00 22.70 C ATOM 1398 H VAL X 52 48.028 23.100 7.399 1.00 0.00 H ATOM 1399 N VAL X 53 47.483 21.058 5.038 1.00 18.92 N ATOM 1400 CA VAL X 53 47.387 20.625 3.633 1.00 21.42 C ATOM 1401 C VAL X 53 48.776 20.347 3.045 1.00 19.85 C ATOM 1402 O VAL X 53 48.994 19.324 2.394 1.00 18.41 O ATOM 1403 CB VAL X 53 46.705 21.663 2.717 1.00 23.66 C ATOM 1404 CG1 VAL X 53 46.621 21.110 1.300 1.00 29.21 C ATOM 1405 CG2 VAL X 53 45.311 22.011 3.199 1.00 22.47 C ATOM 1406 H VAL X 53 47.036 21.951 5.328 1.00 0.00 H ATOM 1407 N ASP X 54 49.708 21.274 3.259 1.00 18.08 N ATOM 1408 CA ASP X 54 51.087 21.098 2.790 1.00 20.82 C ATOM 1409 C ASP X 54 51.754 19.850 3.366 1.00 21.72 C ATOM 1410 O ASP X 54 52.394 19.080 2.641 1.00 21.43 O ATOM 1411 CB ASP X 54 51.942 22.322 3.134 1.00 23.11 C ATOM 1412 CG ASP X 54 51.477 23.583 2.431 1.00 20.58 C ATOM 1413 OD1 ASP X 54 50.661 23.479 1.496 1.00 20.65 O ATOM 1414 OD2 ASP X 54 51.931 24.686 2.820 1.00 19.32 O ATOM 1415 H ASP X 54 49.452 22.143 3.770 1.00 0.00 H ATOM 1416 N LYS X 55 51.628 19.665 4.676 1.00 18.63 N ATOM 1417 CA LYS X 55 52.245 18.523 5.334 1.00 23.58 C ATOM 1418 C LYS X 55 51.640 17.203 4.848 1.00 21.80 C ATOM 1419 O LYS X 55 52.362 16.219 4.644 1.00 22.03 O ATOM 1420 CB LYS X 55 52.134 18.642 6.857 1.00 26.28 C ATOM 1421 CG LYS X 55 52.883 17.562 7.622 1.00 29.35 C ATOM 1422 CD LYS X 55 54.374 17.535 7.253 1.00 30.36 C ATOM 1423 CE LYS X 55 55.099 18.801 7.707 1.00 34.71 C ATOM 1424 NZ LYS X 55 56.569 18.732 7.433 1.00 35.55 N ATOM 1425 HZ1 LYS X 55 56.978 17.922 7.942 1.00 0.00 H ATOM 1426 HZ2 LYS X 55 56.725 18.616 6.411 1.00 0.00 H ATOM 1427 HZ3 LYS X 55 57.022 19.610 7.756 1.00 0.00 H ATOM 1428 H LYS X 55 51.080 20.346 5.239 1.00 0.00 H ATOM 1429 N VAL X 56 50.322 17.170 4.648 1.00 19.63 N ATOM 1430 CA VAL X 56 49.692 15.957 4.114 1.00 21.93 C ATOM 1431 C VAL X 56 50.210 15.600 2.724 1.00 20.57 C ATOM 1432 O VAL X 56 50.598 14.459 2.471 1.00 21.13 O ATOM 1433 CB VAL X 56 48.149 16.053 4.089 1.00 22.43 C ATOM 1434 CG1 VAL X 56 47.548 14.807 3.436 1.00 22.64 C ATOM 1435 CG2 VAL X 56 47.622 16.206 5.496 1.00 22.62 C ATOM 1436 H VAL X 56 49.741 18.003 4.870 1.00 0.00 H ATOM 1437 N MET X 57 50.228 16.574 1.823 1.00 19.71 N ATOM 1438 CA MET X 57 50.749 16.339 0.477 1.00 21.00 C ATOM 1439 C MET X 57 52.211 15.899 0.502 1.00 20.08 C ATOM 1440 O MET X 57 52.599 14.995 -0.227 1.00 23.04 O ATOM 1441 CB MET X 57 50.594 17.586 -0.400 1.00 19.20 C ATOM 1442 CG MET X 57 51.101 17.394 -1.840 1.00 20.67 C ATOM 1443 SD MET X 57 50.219 16.095 -2.746 1.00 20.64 S ATOM 1444 CE MET X 57 48.806 17.014 -3.350 1.00 17.18 C ATOM 1445 H MET X 57 49.867 17.516 2.077 1.00 0.00 H ATOM 1446 N GLU X 58 53.015 16.542 1.343 1.00 22.34 N ATOM 1447 CA GLU X 58 54.437 16.218 1.453 1.00 21.19 C ATOM 1448 C GLU X 58 54.599 14.765 1.895 1.00 24.71 C ATOM 1449 O GLU X 58 55.479 14.045 1.420 1.00 23.13 O ATOM 1450 CB GLU X 58 55.103 17.174 2.456 1.00 25.79 C ATOM 1451 CG GLU X 58 56.582 16.891 2.747 1.00 30.23 C ATOM 1452 CD GLU X 58 57.203 17.907 3.701 1.00 38.01 C ATOM 1453 OE1 GLU X 58 56.449 18.626 4.396 1.00 37.42 O ATOM 1454 OE2 GLU X 58 58.450 17.992 3.755 1.00 41.19 O ATOM 1455 H GLU X 58 52.622 17.297 1.940 1.00 0.00 H ATOM 1456 N THR X 59 53.731 14.336 2.802 1.00 24.05 N ATOM 1457 CA THR X 59 53.770 12.964 3.297 1.00 22.38 C ATOM 1458 C THR X 59 53.389 11.970 2.209 1.00 25.93 C ATOM 1459 O THR X 59 54.004 10.910 2.089 1.00 25.45 O ATOM 1460 CB THR X 59 52.837 12.770 4.506 1.00 26.23 C ATOM 1461 OG1 THR X 59 53.192 13.699 5.536 1.00 30.09 O ATOM 1462 CG2 THR X 59 52.945 11.356 5.044 1.00 28.19 C ATOM 1463 HG1 THR X 59 53.100 14.623 5.192 1.00 0.00 H ATOM 1464 H THR X 59 53.009 14.990 3.167 1.00 0.00 H ATOM 1465 N LEU X 60 52.374 12.308 1.415 1.00 22.19 N ATOM 1466 CA LEU X 60 51.843 11.354 0.435 1.00 23.70 C ATOM 1467 C LEU X 60 52.591 11.351 -0.894 1.00 24.37 C ATOM 1468 O LEU X 60 52.542 10.367 -1.634 1.00 21.16 O ATOM 1469 CB LEU X 60 50.352 11.620 0.174 1.00 24.13 C ATOM 1470 CG LEU X 60 49.477 11.614 1.428 1.00 25.42 C ATOM 1471 CD1 LEU X 60 48.015 11.915 1.086 1.00 25.69 C ATOM 1472 CD2 LEU X 60 49.604 10.278 2.157 1.00 27.51 C ATOM 1473 H LEU X 60 51.954 13.257 1.491 1.00 0.00 H ATOM 1474 N ASP X 61 53.274 12.451 -1.191 1.00 20.26 N ATOM 1475 CA ASP X 61 53.905 12.657 -2.493 1.00 23.35 C ATOM 1476 C ASP X 61 55.271 11.971 -2.549 1.00 25.96 C ATOM 1477 O ASP X 61 56.315 12.625 -2.495 1.00 22.81 O ATOM 1478 CB ASP X 61 54.061 14.163 -2.763 1.00 24.68 C ATOM 1479 CG ASP X 61 54.640 14.466 -4.135 1.00 24.75 C ATOM 1480 OD1 ASP X 61 54.539 13.618 -5.047 1.00 24.36 O ATOM 1481 OD2 ASP X 61 55.202 15.569 -4.304 1.00 23.34 O ATOM 1482 H ASP X 61 53.363 13.194 -0.469 1.00 0.00 H ATOM 1483 N SER X 62 55.254 10.649 -2.675 1.00 23.44 N ATOM 1484 CA SER X 62 56.474 9.852 -2.685 1.00 27.42 C ATOM 1485 C SER X 62 57.460 10.194 -3.795 1.00 27.68 C ATOM 1486 O SER X 62 58.674 10.164 -3.571 1.00 33.61 O ATOM 1487 CB SER X 62 56.118 8.366 -2.736 1.00 25.41 C ATOM 1488 OG SER X 62 55.463 7.992 -1.540 1.00 33.97 O ATOM 1489 HG SER X 62 55.234 7.029 -1.577 1.00 0.00 H ATOM 1490 H SER X 62 54.338 10.166 -2.770 1.00 0.00 H ATOM 1491 N ASP X 63 56.953 10.513 -4.981 1.00 26.24 N ATOM 1492 CA ASP X 63 57.838 10.805 -6.107 1.00 31.08 C ATOM 1493 C ASP X 63 58.201 12.285 -6.226 1.00 28.45 C ATOM 1494 O ASP X 63 59.029 12.656 -7.057 1.00 31.17 O ATOM 1495 CB ASP X 63 57.305 10.249 -7.441 1.00 27.78 C ATOM 1496 CG ASP X 63 56.002 10.899 -7.894 1.00 30.61 C ATOM 1497 OD1 ASP X 63 55.519 11.865 -7.265 1.00 25.46 O ATOM 1498 OD2 ASP X 63 55.456 10.438 -8.915 1.00 30.51 O ATOM 1499 H ASP X 63 55.922 10.555 -5.109 1.00 0.00 H ATOM 1500 N GLY X 64 57.580 13.120 -5.395 1.00 28.53 N ATOM 1501 CA GLY X 64 57.948 14.525 -5.308 1.00 27.04 C ATOM 1502 C GLY X 64 57.445 15.461 -6.399 1.00 27.55 C ATOM 1503 O GLY X 64 57.945 16.584 -6.510 1.00 27.89 O ATOM 1504 H GLY X 64 56.813 12.759 -4.793 1.00 0.00 H ATOM 1505 N ASP X 65 56.469 15.035 -7.203 1.00 26.33 N ATOM 1506 CA ASP X 65 55.955 15.898 -8.268 1.00 24.92 C ATOM 1507 C ASP X 65 54.890 16.891 -7.783 1.00 24.02 C ATOM 1508 O ASP X 65 54.269 17.607 -8.576 1.00 22.84 O ATOM 1509 CB ASP X 65 55.461 15.090 -9.481 1.00 30.06 C ATOM 1510 CG ASP X 65 54.210 14.279 -9.189 1.00 27.18 C ATOM 1511 OD1 ASP X 65 53.701 14.320 -8.046 1.00 21.53 O ATOM 1512 OD2 ASP X 65 53.746 13.575 -10.113 1.00 26.35 O ATOM 1513 H ASP X 65 56.071 14.083 -7.072 1.00 0.00 H ATOM 1514 N GLY X 66 54.700 16.950 -6.471 1.00 20.99 N ATOM 1515 CA GLY X 66 53.771 17.912 -5.906 1.00 22.59 C ATOM 1516 C GLY X 66 52.309 17.513 -6.012 1.00 23.62 C ATOM 1517 O GLY X 66 51.437 18.290 -5.625 1.00 21.99 O ATOM 1518 H GLY X 66 55.220 16.303 -5.844 1.00 0.00 H ATOM 1519 N GLU X 67 52.026 16.316 -6.527 1.00 20.59 N ATOM 1520 CA GLU X 67 50.647 15.840 -6.601 1.00 16.84 C ATOM 1521 C GLU X 67 50.550 14.425 -6.066 1.00 18.25 C ATOM 1522 O GLU X 67 51.567 13.756 -5.879 1.00 19.15 O ATOM 1523 CB GLU X 67 50.117 15.887 -8.041 1.00 19.70 C ATOM 1524 CG GLU X 67 50.094 17.276 -8.644 1.00 20.21 C ATOM 1525 CD GLU X 67 49.114 17.403 -9.794 1.00 26.68 C ATOM 1526 OE1 GLU X 67 47.964 16.926 -9.666 1.00 24.72 O ATOM 1527 OE2 GLU X 67 49.495 17.985 -10.830 1.00 29.32 O ATOM 1528 H GLU X 67 52.797 15.714 -6.880 1.00 0.00 H ATOM 1529 N CYS X 68 49.320 13.981 -5.829 1.00 17.62 N ATOM 1530 CA CYS X 68 49.072 12.610 -5.391 1.00 17.44 C ATOM 1531 C CYS X 68 48.470 11.797 -6.527 1.00 18.37 C ATOM 1532 O CYS X 68 47.316 12.034 -6.918 1.00 20.37 O ATOM 1533 CB CYS X 68 48.118 12.594 -4.189 1.00 15.91 C ATOM 1534 SG CYS X 68 47.905 10.934 -3.462 1.00 17.74 S ATOM 1535 H CYS X 68 48.514 14.626 -5.959 1.00 0.00 H ATOM 1536 N ASP X 69 49.240 10.849 -7.065 1.00 19.30 N ATOM 1537 CA ASP X 69 48.741 10.010 -8.152 1.00 20.04 C ATOM 1538 C ASP X 69 47.985 8.796 -7.593 1.00 20.00 C ATOM 1539 O ASP X 69 47.785 8.682 -6.377 1.00 17.54 O ATOM 1540 CB ASP X 69 49.861 9.606 -9.136 1.00 19.70 C ATOM 1541 CG ASP X 69 50.958 8.745 -8.497 1.00 26.06 C ATOM 1542 OD1 ASP X 69 50.720 8.064 -7.472 1.00 24.04 O ATOM 1543 OD2 ASP X 69 52.081 8.723 -9.049 1.00 25.09 O ATOM 1544 H ASP X 69 50.206 10.706 -6.707 1.00 0.00 H ATOM 1545 N PHE X 70 47.543 7.902 -8.465 1.00 17.73 N ATOM 1546 CA PHE X 70 46.740 6.780 -7.994 1.00 19.49 C ATOM 1547 C PHE X 70 47.495 5.875 -7.013 1.00 22.67 C ATOM 1548 O PHE X 70 46.940 5.454 -5.996 1.00 20.51 O ATOM 1549 CB PHE X 70 46.159 5.959 -9.146 1.00 21.12 C ATOM 1550 CG PHE X 70 45.118 4.968 -8.694 1.00 21.39 C ATOM 1551 CD1 PHE X 70 43.846 5.401 -8.328 1.00 24.24 C ATOM 1552 CD2 PHE X 70 45.424 3.616 -8.588 1.00 22.40 C ATOM 1553 CE1 PHE X 70 42.877 4.496 -7.890 1.00 24.01 C ATOM 1554 CE2 PHE X 70 44.466 2.705 -8.156 1.00 24.64 C ATOM 1555 CZ PHE X 70 43.191 3.149 -7.805 1.00 21.90 C ATOM 1556 H PHE X 70 47.767 8.000 -9.476 1.00 0.00 H ATOM 1557 N GLN X 71 48.759 5.596 -7.316 1.00 20.52 N ATOM 1558 CA GLN X 71 49.574 4.725 -6.481 1.00 22.40 C ATOM 1559 C GLN X 71 49.760 5.354 -5.111 1.00 20.98 C ATOM 1560 O GLN X 71 49.660 4.676 -4.087 1.00 19.46 O ATOM 1561 CB GLN X 71 50.935 4.487 -7.139 1.00 26.01 C ATOM 1562 CG GLN X 71 51.809 3.463 -6.425 1.00 30.28 C ATOM 1563 CD GLN X 71 53.215 3.390 -6.998 1.00 37.51 C ATOM 1564 OE1 GLN X 71 53.585 4.175 -7.879 1.00 40.70 O ATOM 1565 NE2 GLN X 71 54.009 2.451 -6.495 1.00 45.75 N ATOM 1566 HE22 GLN X 71 53.655 1.812 -5.755 1.00 0.00 H ATOM 1567 HE21 GLN X 71 54.985 2.355 -6.842 1.00 0.00 H ATOM 1568 H GLN X 71 49.177 6.011 -8.173 1.00 0.00 H ATOM 1569 N GLU X 72 50.017 6.659 -5.096 1.00 19.12 N ATOM 1570 CA GLU X 72 50.201 7.367 -3.840 1.00 19.56 C ATOM 1571 C GLU X 72 48.890 7.425 -3.071 1.00 17.75 C ATOM 1572 O GLU X 72 48.882 7.394 -1.838 1.00 19.91 O ATOM 1573 CB GLU X 72 50.787 8.760 -4.090 1.00 19.79 C ATOM 1574 CG GLU X 72 52.228 8.711 -4.628 1.00 21.37 C ATOM 1575 CD GLU X 72 52.662 10.000 -5.321 1.00 21.35 C ATOM 1576 OE1 GLU X 72 51.796 10.815 -5.702 1.00 18.96 O ATOM 1577 OE2 GLU X 72 53.890 10.201 -5.490 1.00 23.19 O ATOM 1578 H GLU X 72 50.087 7.179 -5.994 1.00 0.00 H ATOM 1579 N PHE X 73 47.774 7.485 -3.790 1.00 18.37 N ATOM 1580 CA PHE X 73 46.473 7.460 -3.127 1.00 19.12 C ATOM 1581 C PHE X 73 46.219 6.089 -2.475 1.00 18.30 C ATOM 1582 O PHE X 73 45.668 6.006 -1.378 1.00 18.81 O ATOM 1583 CB PHE X 73 45.365 7.818 -4.114 1.00 17.23 C ATOM 1584 CG PHE X 73 43.990 7.853 -3.501 1.00 17.16 C ATOM 1585 CD1 PHE X 73 43.645 8.842 -2.585 1.00 16.63 C ATOM 1586 CD2 PHE X 73 43.035 6.894 -3.848 1.00 16.90 C ATOM 1587 CE1 PHE X 73 42.369 8.874 -2.015 1.00 17.01 C ATOM 1588 CE2 PHE X 73 41.755 6.921 -3.289 1.00 17.94 C ATOM 1589 CZ PHE X 73 41.422 7.913 -2.374 1.00 14.69 C ATOM 1590 H PHE X 73 47.827 7.550 -4.827 1.00 0.00 H ATOM 1591 N MET X 74 46.632 5.018 -3.143 1.00 18.14 N ATOM 1592 CA MET X 74 46.510 3.681 -2.558 1.00 19.62 C ATOM 1593 C MET X 74 47.271 3.595 -1.239 1.00 18.45 C ATOM 1594 O MET X 74 46.803 2.986 -0.273 1.00 17.89 O ATOM 1595 CB MET X 74 47.024 2.620 -3.527 1.00 22.99 C ATOM 1596 CG MET X 74 46.239 2.529 -4.820 1.00 21.77 C ATOM 1597 SD MET X 74 44.616 1.827 -4.510 1.00 27.32 S ATOM 1598 CE MET X 74 43.622 3.304 -4.318 1.00 22.05 C ATOM 1599 H MET X 74 47.046 5.130 -4.090 1.00 0.00 H ATOM 1600 N ALA X 75 48.445 4.212 -1.196 1.00 17.19 N ATOM 1601 CA ALA X 75 49.210 4.237 0.043 1.00 17.02 C ATOM 1602 C ALA X 75 48.475 5.062 1.095 1.00 19.30 C ATOM 1603 O ALA X 75 48.486 4.717 2.271 1.00 19.40 O ATOM 1604 CB ALA X 75 50.619 4.773 -0.195 1.00 21.15 C ATOM 1605 H ALA X 75 48.819 4.678 -2.047 1.00 0.00 H ATOM 1606 N PHE X 76 47.826 6.146 0.674 1.00 17.24 N ATOM 1607 CA PHE X 76 47.022 6.956 1.594 1.00 18.18 C ATOM 1608 C PHE X 76 45.860 6.149 2.171 1.00 20.37 C ATOM 1609 O PHE X 76 45.608 6.183 3.377 1.00 16.84 O ATOM 1610 CB PHE X 76 46.518 8.221 0.890 1.00 18.71 C ATOM 1611 CG PHE X 76 45.744 9.160 1.786 1.00 21.87 C ATOM 1612 CD1 PHE X 76 46.237 9.533 3.032 1.00 23.46 C ATOM 1613 CD2 PHE X 76 44.538 9.691 1.360 1.00 27.04 C ATOM 1614 CE1 PHE X 76 45.524 10.405 3.855 1.00 24.40 C ATOM 1615 CE2 PHE X 76 43.817 10.574 2.169 1.00 26.86 C ATOM 1616 CZ PHE X 76 44.314 10.930 3.420 1.00 26.34 C ATOM 1617 H PHE X 76 47.891 6.423 -0.326 1.00 0.00 H ATOM 1618 N VAL X 77 45.171 5.400 1.313 1.00 17.90 N ATOM 1619 CA VAL X 77 44.087 4.531 1.762 1.00 18.25 C ATOM 1620 C VAL X 77 44.592 3.498 2.768 1.00 15.02 C ATOM 1621 O VAL X 77 43.937 3.242 3.777 1.00 17.87 O ATOM 1622 CB VAL X 77 43.393 3.824 0.581 1.00 19.70 C ATOM 1623 CG1 VAL X 77 42.366 2.802 1.077 1.00 19.02 C ATOM 1624 CG2 VAL X 77 42.715 4.846 -0.324 1.00 19.23 C ATOM 1625 H VAL X 77 45.410 5.435 0.301 1.00 0.00 H ATOM 1626 N ALA X 78 45.760 2.918 2.510 1.00 18.88 N ATOM 1627 CA ALA X 78 46.328 1.963 3.458 1.00 19.12 C ATOM 1628 C ALA X 78 46.599 2.641 4.806 1.00 19.50 C ATOM 1629 O ALA X 78 46.357 2.056 5.866 1.00 19.55 O ATOM 1630 CB ALA X 78 47.590 1.335 2.903 1.00 18.29 C ATOM 1631 H ALA X 78 46.270 3.144 1.632 1.00 0.00 H ATOM 1632 N MET X 79 47.076 3.886 4.771 1.00 17.17 N ATOM 1633 CA MET X 79 47.340 4.638 6.007 1.00 18.37 C ATOM 1634 C MET X 79 46.072 4.886 6.817 1.00 20.07 C ATOM 1635 O MET X 79 46.029 4.626 8.024 1.00 20.55 O ATOM 1636 CB MET X 79 47.989 5.984 5.685 1.00 22.40 C ATOM 1637 CG MET X 79 49.440 5.901 5.290 1.00 26.85 C ATOM 1638 SD MET X 79 50.026 7.530 4.789 1.00 38.63 S ATOM 1639 CE MET X 79 49.404 8.516 6.150 1.00 33.61 C ATOM 1640 H MET X 79 47.265 4.334 3.852 1.00 0.00 H ATOM 1641 N ILE X 80 45.040 5.395 6.149 1.00 21.03 N ATOM 1642 CA ILE X 80 43.770 5.689 6.812 1.00 19.91 C ATOM 1643 C ILE X 80 43.126 4.420 7.354 1.00 21.64 C ATOM 1644 O ILE X 80 42.627 4.394 8.492 1.00 20.00 O ATOM 1645 CB ILE X 80 42.767 6.339 5.857 1.00 22.88 C ATOM 1646 CG1 ILE X 80 43.310 7.645 5.298 1.00 23.12 C ATOM 1647 CG2 ILE X 80 41.459 6.623 6.569 1.00 22.36 C ATOM 1648 CD1 ILE X 80 42.643 8.000 4.001 1.00 29.89 C ATOM 1649 H ILE X 80 45.139 5.588 5.132 1.00 0.00 H ATOM 1650 N THR X 81 43.133 3.368 6.542 1.00 20.64 N ATOM 1651 CA THR X 81 42.535 2.101 6.947 1.00 19.30 C ATOM 1652 C THR X 81 43.285 1.501 8.132 1.00 21.50 C ATOM 1653 O THR X 81 42.672 0.980 9.061 1.00 21.48 O ATOM 1654 CB THR X 81 42.505 1.097 5.784 1.00 18.50 C ATOM 1655 OG1 THR X 81 41.868 1.707 4.657 1.00 16.81 O ATOM 1656 CG2 THR X 81 41.740 -0.170 6.169 1.00 17.85 C ATOM 1657 HG1 THR X 81 42.376 2.514 4.389 1.00 0.00 H ATOM 1658 H THR X 81 43.572 3.450 5.603 1.00 0.00 H ATOM 1659 N THR X 82 44.612 1.573 8.100 1.00 20.30 N ATOM 1660 CA THR X 82 45.418 1.090 9.214 1.00 22.96 C ATOM 1661 C THR X 82 45.151 1.909 10.480 1.00 24.84 C ATOM 1662 O THR X 82 45.046 1.360 11.587 1.00 24.41 O ATOM 1663 CB THR X 82 46.909 1.115 8.857 1.00 24.42 C ATOM 1664 OG1 THR X 82 47.118 0.297 7.702 1.00 21.27 O ATOM 1665 CG2 THR X 82 47.742 0.574 10.002 1.00 25.94 C ATOM 1666 HG1 THR X 82 46.585 0.652 6.947 1.00 0.00 H ATOM 1667 H THR X 82 45.082 1.980 7.267 1.00 0.00 H ATOM 1668 N ALA X 83 45.018 3.221 10.317 1.00 20.99 N ATOM 1669 CA ALA X 83 44.748 4.083 11.459 1.00 25.03 C ATOM 1670 C ALA X 83 43.347 3.804 11.994 1.00 26.52 C ATOM 1671 O ALA X 83 43.119 3.803 13.209 1.00 24.00 O ATOM 1672 CB ALA X 83 44.891 5.538 11.066 1.00 25.27 C ATOM 1673 H ALA X 83 45.107 3.635 9.367 1.00 0.00 H ATOM 1674 N CYS X 84 42.408 3.573 11.081 1.00 23.16 N ATOM 1675 CA CYS X 84 41.047 3.219 11.457 1.00 22.19 C ATOM 1676 C CYS X 84 41.065 1.908 12.229 1.00 25.96 C ATOM 1677 O CYS X 84 40.363 1.747 13.229 1.00 29.33 O ATOM 1678 CB CYS X 84 40.172 3.084 10.207 1.00 23.08 C ATOM 1679 SG CYS X 84 38.399 2.872 10.519 1.00 25.72 S ATOM 1680 H CYS X 84 42.652 3.647 10.073 1.00 0.00 H ATOM 1681 N HIS X 85 41.882 0.973 11.761 1.00 22.96 N ATOM 1682 CA HIS X 85 41.974 -0.348 12.373 1.00 24.20 C ATOM 1683 C HIS X 85 42.645 -0.308 13.747 1.00 27.99 C ATOM 1684 O HIS X 85 42.313 -1.100 14.628 1.00 29.51 O ATOM 1685 CB HIS X 85 42.758 -1.271 11.453 1.00 25.79 C ATOM 1686 CG HIS X 85 42.702 -2.709 11.848 1.00 28.80 C ATOM 1687 ND1 HIS X 85 43.764 -3.567 11.673 1.00 26.49 N ATOM 1688 CD2 HIS X 85 41.706 -3.446 12.396 1.00 24.76 C ATOM 1689 CE1 HIS X 85 43.429 -4.772 12.100 1.00 26.96 C ATOM 1690 NE2 HIS X 85 42.187 -4.721 12.547 1.00 32.30 N ATOM 1691 H HIS X 85 42.474 1.188 10.934 1.00 0.00 H ATOM 1692 N GLU X 86 43.593 0.607 13.922 1.00 27.00 N ATOM 1693 CA GLU X 86 44.373 0.670 15.161 1.00 28.69 C ATOM 1694 C GLU X 86 43.734 1.554 16.226 1.00 31.96 C ATOM 1695 O GLU X 86 44.151 1.544 17.390 1.00 33.27 O ATOM 1696 CB GLU X 86 45.804 1.130 14.870 1.00 28.06 C ATOM 1697 CG GLU X 86 46.661 0.062 14.197 1.00 34.74 C ATOM 1698 CD GLU X 86 48.028 0.578 13.808 1.00 43.19 C ATOM 1699 OE1 GLU X 86 48.919 -0.255 13.525 1.00 46.58 O ATOM 1700 OE2 GLU X 86 48.211 1.817 13.783 1.00 41.81 O ATOM 1701 H GLU X 86 43.785 1.292 13.164 1.00 0.00 H ATOM 1702 N PHE X 87 42.711 2.303 15.833 1.00 23.68 N ATOM 1703 CA PHE X 87 42.093 3.273 16.731 1.00 30.83 C ATOM 1704 C PHE X 87 41.487 2.638 17.982 1.00 32.25 C ATOM 1705 O PHE X 87 41.516 3.230 19.063 1.00 32.54 O ATOM 1706 CB PHE X 87 41.012 4.070 16.002 1.00 28.01 C ATOM 1707 CG PHE X 87 40.447 5.198 16.816 1.00 33.13 C ATOM 1708 CD1 PHE X 87 41.061 6.440 16.809 1.00 32.25 C ATOM 1709 CD2 PHE X 87 39.308 5.015 17.598 1.00 32.80 C ATOM 1710 CE1 PHE X 87 40.553 7.487 17.565 1.00 34.64 C ATOM 1711 CE2 PHE X 87 38.790 6.060 18.360 1.00 36.80 C ATOM 1712 CZ PHE X 87 39.417 7.298 18.342 1.00 34.26 C ATOM 1713 H PHE X 87 42.343 2.196 14.866 1.00 0.00 H ATOM 1714 N PHE X 88 40.940 1.437 17.826 1.00 30.68 N ATOM 1715 CA PHE X 88 40.201 0.794 18.905 1.00 34.69 C ATOM 1716 C PHE X 88 41.043 -0.191 19.708 1.00 41.91 C ATOM 1717 O PHE X 88 40.501 -0.971 20.494 1.00 44.61 O ATOM 1718 CB PHE X 88 38.961 0.094 18.349 1.00 33.67 C ATOM 1719 CG PHE X 88 37.821 1.022 18.045 1.00 30.49 C ATOM 1720 CD1 PHE X 88 37.501 2.055 18.909 1.00 33.47 C ATOM 1721 CD2 PHE X 88 37.065 0.861 16.891 1.00 32.32 C ATOM 1722 CE1 PHE X 88 36.447 2.913 18.634 1.00 32.12 C ATOM 1723 CE2 PHE X 88 36.008 1.709 16.609 1.00 33.72 C ATOM 1724 CZ PHE X 88 35.696 2.738 17.484 1.00 34.98 C ATOM 1725 H PHE X 88 41.041 0.946 16.915 1.00 0.00 H ATOM 1726 N GLU X 89 42.361 -0.155 19.510 1.00 41.13 N ATOM 1727 CA GLU X 89 43.277 -1.013 20.261 1.00 43.54 C ATOM 1728 C GLU X 89 43.937 -0.240 21.403 1.00 46.38 C ATOM 1729 O GLU X 89 44.375 -0.827 22.395 1.00 55.57 O ATOM 1730 CB GLU X 89 44.350 -1.615 19.340 1.00 43.24 C ATOM 1731 CG GLU X 89 43.817 -2.280 18.065 1.00 40.13 C ATOM 1732 CD GLU X 89 43.119 -3.607 18.325 1.00 47.48 C ATOM 1733 OE1 GLU X 89 43.825 -4.617 18.533 1.00 52.40 O ATOM 1734 OE2 GLU X 89 41.868 -3.646 18.317 1.00 48.09 O ATOM 1735 H GLU X 89 42.748 0.501 18.802 1.00 0.00 H TER 1736 GLU X 89 HETATM 1737 CA CA A 1 43.643 16.933 -10.735 1.00 19.80 CA HETATM 1738 CA CA A 2 53.334 12.410 -6.628 1.00 21.10 CA HETATM 1739 CA CA A 3 34.912 18.266 -15.061 1.00 34.65 CA HETATM 1740 CA CA A 4 43.643 -16.933 10.735 1.00 19.80 CA HETATM 1741 CA CA A 5 53.334 -12.410 6.628 1.00 21.10 CA HETATM 1742 O HOH 6 50.005 2.225 12.629 1.00 44.17 O HETATM 1743 O HOH 7 59.317 13.286 -9.132 1.00 39.59 O HETATM 1744 O HOH 8 35.924 26.132 11.314 1.00 41.90 O HETATM 1745 O HOH 9 40.179 25.497 0.865 1.00 37.34 O HETATM 1746 O HOH 10 45.404 23.153 -12.408 1.00 42.73 O HETATM 1747 O HOH 11 50.235 -1.417 11.895 1.00 37.05 O HETATM 1748 O HOH 12 48.025 3.591 12.177 1.00 35.59 O HETATM 1749 O HOH 13 40.619 -2.214 16.293 1.00 33.96 O HETATM 1750 O HOH 14 31.502 3.234 -6.399 1.00 29.37 O HETATM 1751 O HOH 15 59.884 18.718 5.592 1.00 45.22 O HETATM 1752 O HOH 16 43.644 24.163 -7.101 1.00 39.20 O HETATM 1753 O HOH 17 44.002 30.197 10.845 1.00 36.78 O HETATM 1754 O HOH 18 55.959 16.939 -2.356 1.00 35.82 O HETATM 1755 O HOH 19 44.897 25.596 1.629 1.00 35.78 O HETATM 1756 O HOH 20 37.364 22.093 2.345 1.00 23.44 O HETATM 1757 O HOH 21 39.866 -3.318 21.340 1.00 41.30 O HETATM 1758 O HOH 22 32.613 12.031 5.344 1.00 21.95 O HETATM 1759 O HOH 23 30.299 11.950 1.055 1.00 25.44 O HETATM 1760 O HOH 24 50.977 20.124 -10.698 1.00 34.97 O HETATM 1761 O HOH 25 52.575 11.670 -8.753 1.00 22.21 O HETATM 1762 O HOH 26 39.755 11.516 -13.768 1.00 27.88 O HETATM 1763 O HOH 27 42.756 26.198 12.077 1.00 31.45 O HETATM 1764 O HOH 28 51.968 20.389 -4.133 1.00 30.44 O HETATM 1765 O HOH 29 39.827 25.708 4.928 1.00 26.13 O HETATM 1766 O HOH 30 53.356 6.398 -1.581 1.00 30.11 O HETATM 1767 O HOH 31 45.717 18.125 -10.413 1.00 20.00 O HETATM 1768 O HOH 32 51.276 17.537 -12.752 1.00 33.84 O HETATM 1769 O HOH 33 32.199 13.167 -4.960 1.00 25.65 O HETATM 1770 O HOH 34 43.505 25.181 3.797 1.00 29.98 O HETATM 1771 O HOH 35 57.338 14.290 -0.489 1.00 28.68 O HETATM 1772 O HOH 36 31.361 0.748 -5.277 1.00 26.80 O HETATM 1773 O HOH 37 53.176 11.612 -14.218 1.00 37.05 O HETATM 1774 O HOH 38 40.430 21.725 -6.692 1.00 25.13 O HETATM 1775 O HOH 39 34.002 16.262 -8.556 1.00 28.23 O HETATM 1776 O HOH 40 54.594 7.795 -9.375 1.00 33.02 O HETATM 1777 O HOH 41 53.254 20.033 0.253 1.00 18.89 O HETATM 1778 O HOH 42 43.129 15.827 9.514 1.00 39.91 O HETATM 1779 O HOH 43 39.504 21.243 12.142 1.00 35.56 O HETATM 1780 O HOH 44 30.908 12.762 -2.782 1.00 27.29 O HETATM 1781 O HOH 45 47.519 19.285 -12.169 1.00 26.60 O HETATM 1782 O HOH 46 32.801 9.018 -3.450 1.00 23.96 O HETATM 1783 O HOH 47 41.939 28.424 9.346 1.00 33.53 O HETATM 1784 O HOH 48 38.238 23.604 5.821 1.00 22.45 O HETATM 1785 O HOH 49 44.306 15.117 -17.492 1.00 31.58 O HETATM 1786 O HOH 50 36.015 16.036 10.585 1.00 32.67 O HETATM 1787 O HOH 51 53.465 22.168 7.109 1.00 30.84 O HETATM 1788 O HOH 52 49.076 11.533 -15.090 1.00 32.51 O HETATM 1789 O HOH 53 36.628 16.331 -15.316 1.00 25.78 O HETATM 1790 O HOH 54 55.312 21.110 3.968 1.00 30.04 O HETATM 1791 O HOH 55 27.039 -2.451 0.476 1.00 45.84 O HETATM 1792 O HOH 56 48.556 22.820 12.466 1.00 32.38 O HETATM 1793 O HOH 57 48.293 4.542 9.626 1.00 27.45 O HETATM 1794 O HOH 58 49.018 -1.717 7.938 1.00 27.20 O HETATM 1795 O HOH 59 33.306 8.962 -0.588 1.00 20.32 O HETATM 1796 O HOH 60 45.665 28.493 5.990 1.00 31.91 O HETATM 1797 O HOH 61 34.631 8.861 -10.337 1.00 27.40 O HETATM 1798 O HOH 62 47.524 8.329 -11.432 1.00 22.12 O HETATM 1799 O HOH 63 44.928 4.970 15.023 1.00 31.29 O HETATM 1800 O HOH 64 37.741 15.590 7.452 1.00 22.44 O HETATM 1801 O HOH 65 51.374 8.008 -0.587 1.00 22.05 O HETATM 1802 O HOH 66 50.660 3.261 3.364 1.00 22.77 O HETATM 1803 O HOH 67 52.465 27.261 12.662 1.00 27.38 O HETATM 1804 O HOH 68 48.533 27.215 7.949 1.00 26.10 O HETATM 1805 O HOH 69 31.533 -2.136 0.445 1.00 31.02 O HETATM 1806 O HOH 70 42.462 22.947 -14.749 1.00 35.49 O HETATM 1807 O HOH 71 51.653 24.500 13.670 1.00 36.72 O HETATM 1808 O HOH 72 33.303 6.357 -4.051 1.00 22.76 O HETATM 1809 O HOH 73 34.910 10.792 15.068 1.00 23.38 O HETATM 1810 O HOH 74 32.921 15.808 -6.156 1.00 27.96 O HETATM 1811 O HOH 75 49.308 20.596 -5.760 1.00 29.08 O HETATM 1812 O HOH 76 36.091 14.850 -11.601 1.00 22.56 O HETATM 1813 O HOH 77 37.275 19.204 -14.957 1.00 34.24 O HETATM 1814 O HOH 78 35.688 17.451 7.553 1.00 23.18 O HETATM 1815 O HOH 79 43.780 22.270 10.068 1.00 24.51 O HETATM 1816 O HOH 80 50.440 1.953 -3.296 1.00 33.09 O HETATM 1817 O HOH 81 36.925 12.433 -13.313 1.00 33.03 O HETATM 1818 O HOH 82 38.050 21.617 -5.613 1.00 29.92 O HETATM 1819 O HOH 83 55.962 0.779 -7.940 1.00 50.06 O HETATM 1820 O HOH 84 54.717 7.664 -6.757 1.00 34.46 O HETATM 1821 O HOH 85 43.072 27.564 5.037 1.00 31.38 O HETATM 1822 O HOH 86 46.535 -2.611 12.059 1.00 33.22 O HETATM 1823 O HOH 87 52.213 9.298 -11.952 1.00 37.62 O HETATM 1824 O HOH 88 31.687 8.600 -9.758 1.00 31.91 O HETATM 1825 O HOH 89 43.338 19.531 10.552 1.00 31.83 O HETATM 1826 O HOH 90 56.688 11.360 0.822 1.00 39.52 O HETATM 1827 O HOH 91 43.437 -5.361 15.649 1.00 40.68 O HETATM 1828 O HOH 92 29.618 -9.603 0.105 1.00 27.84 O HETATM 1829 O HOH 93 30.872 18.400 2.649 1.00 31.97 O HETATM 1830 O HOH 94 46.033 23.283 -5.187 1.00 23.11 O HETATM 1831 O HOH 95 36.382 18.402 11.941 1.00 39.93 O HETATM 1832 O HOH 96 61.222 11.799 -4.004 1.00 44.07 O HETATM 1833 O HOH 97 30.185 7.314 -6.169 1.00 32.45 O HETATM 1834 O HOH 98 40.931 18.877 -15.734 1.00 32.07 O HETATM 1835 O HOH 99 30.252 6.306 -9.803 1.00 36.14 O HETATM 1836 O HOH 100 52.243 23.483 -4.241 1.00 35.93 O HETATM 1837 O HOH 101 53.001 23.654 10.724 1.00 38.13 O HETATM 1838 O HOH 102 59.626 19.855 1.374 1.00 32.94 O HETATM 1839 O HOH 103 37.426 14.138 -19.915 1.00 36.69 O HETATM 1840 O HOH 104 30.112 12.182 3.948 1.00 27.43 O HETATM 1841 O HOH 105 49.755 0.996 -1.007 1.00 33.47 O HETATM 1842 O HOH 106 49.841 1.972 5.895 1.00 28.00 O HETATM 1843 O HOH 107 50.008 6.080 -10.536 1.00 30.26 O HETATM 1844 O HOH 108 44.550 15.927 13.310 1.00 50.41 O HETATM 1845 O HOH 109 49.861 -0.283 5.359 1.00 32.99 O HETATM 1846 O HOH 110 48.946 16.728 -17.252 1.00 36.10 O HETATM 1847 O HOH 111 34.727 10.648 -11.949 1.00 36.47 O HETATM 1848 O HOH 112 48.844 3.194 -10.091 1.00 27.49 O HETATM 1849 O HOH 113 59.444 12.324 -0.521 1.00 45.76 O HETATM 1850 O HOH 114 44.515 20.821 -17.959 1.00 32.68 O HETATM 1851 O HOH 115 33.786 17.953 9.018 1.00 34.12 O HETATM 1852 O HOH 116 36.477 13.893 -15.536 1.00 29.52 O HETATM 1853 O HOH 117 50.156 14.266 7.891 1.00 40.38 O HETATM 1854 O HOH 118 46.245 -6.358 12.747 1.00 31.63 O HETATM 1855 O HOH 119 31.136 4.972 -4.699 1.00 31.38 O HETATM 1856 O HOH 120 53.776 5.210 -3.715 1.00 39.62 O HETATM 1857 O HOH 121 40.670 27.863 11.871 1.00 31.28 O HETATM 1858 O HOH 122 30.349 9.983 -2.738 1.00 32.07 O HETATM 1859 O HOH 123 50.945 20.185 10.308 1.00 38.11 O HETATM 1860 O HOH 124 49.464 12.556 6.787 1.00 37.18 O HETATM 1861 O HOH 125 49.756 9.412 -12.908 1.00 31.42 O HETATM 1862 O HOH 126 53.546 21.460 9.843 1.00 41.54 O HETATM 1863 O HOH 127 50.343 3.041 8.157 1.00 33.20 O HETATM 1864 O HOH 128 46.023 30.828 -0.346 1.00 41.32 O HETATM 1865 O HOH 129 40.886 22.691 13.347 1.00 35.98 O HETATM 1866 O HOH 130 35.615 10.509 -13.927 1.00 39.25 O HETATM 1867 O HOH 131 28.089 0.000 0.000 1.00 55.14 O HETATM 1868 O HOH 132 51.386 1.331 1.466 1.00 30.53 O HETATM 1869 O HOH 133 30.214 0.000 0.000 1.00 39.37 O HETATM 1870 O HOH 134 41.535 21.661 -17.527 1.00 41.36 O HETATM 1871 O HOH 135 28.510 8.955 -4.389 1.00 39.76 O HETATM 1872 O HOH 136 37.664 4.833 11.084 1.00 34.67 O HETATM 1873 O HOH 137 46.362 9.405 8.495 1.00 42.52 O HETATM 1874 O HOH 138 51.642 1.427 9.860 1.00 39.15 O HETATM 1875 O HOH 139 34.910 22.345 -15.067 1.00 39.44 O HETATM 1876 O HOH 140 53.564 2.120 -0.258 1.00 31.65 O HETATM 1877 O HOH 141 46.511 14.765 9.106 1.00 49.93 O HETATM 1878 O HOH 142 45.398 13.399 7.472 1.00 46.59 O HETATM 1879 O HOH 143 48.365 12.024 9.411 1.00 46.03 O HETATM 1880 O HOH 144 50.005 -2.225 -12.629 1.00 44.17 O HETATM 1881 O HOH 145 59.317 -13.286 9.132 1.00 39.59 O HETATM 1882 O HOH 146 35.924 -26.132 -11.314 1.00 41.90 O HETATM 1883 O HOH 147 40.179 -25.497 -0.865 1.00 37.34 O HETATM 1884 O HOH 148 45.404 -23.153 12.408 1.00 42.73 O HETATM 1885 O HOH 149 50.235 1.417 -11.895 1.00 37.05 O HETATM 1886 O HOH 150 48.025 -3.591 -12.177 1.00 35.59 O HETATM 1887 O HOH 151 40.619 2.214 -16.293 1.00 33.96 O HETATM 1888 O HOH 152 31.502 -3.234 6.399 1.00 29.37 O HETATM 1889 O HOH 153 59.884 -18.718 -5.592 1.00 45.22 O HETATM 1890 O HOH 154 43.644 -24.163 7.101 1.00 39.20 O HETATM 1891 O HOH 155 44.002 -30.197 -10.845 1.00 36.78 O HETATM 1892 O HOH 156 55.959 -16.939 2.356 1.00 35.82 O HETATM 1893 O HOH 157 44.897 -25.596 -1.629 1.00 35.78 O HETATM 1894 O HOH 158 37.364 -22.093 -2.345 1.00 23.44 O HETATM 1895 O HOH 159 39.866 3.318 -21.340 1.00 41.30 O HETATM 1896 O HOH 160 32.613 -12.031 -5.344 1.00 21.95 O HETATM 1897 O HOH 161 30.299 -11.950 -1.055 1.00 25.44 O HETATM 1898 O HOH 162 50.977 -20.124 10.698 1.00 34.97 O HETATM 1899 O HOH 163 52.575 -11.670 8.753 1.00 22.21 O HETATM 1900 O HOH 164 39.755 -11.516 13.768 1.00 27.88 O HETATM 1901 O HOH 165 42.756 -26.198 -12.077 1.00 31.45 O HETATM 1902 O HOH 166 51.968 -20.389 4.133 1.00 30.44 O HETATM 1903 O HOH 167 39.827 -25.708 -4.928 1.00 26.13 O HETATM 1904 O HOH 168 53.356 -6.398 1.581 1.00 30.11 O HETATM 1905 O HOH 169 45.717 -18.125 10.413 1.00 20.00 O HETATM 1906 O HOH 170 51.276 -17.537 12.752 1.00 33.84 O HETATM 1907 O HOH 171 32.199 -13.167 4.960 1.00 25.65 O HETATM 1908 O HOH 172 43.505 -25.181 -3.797 1.00 29.98 O HETATM 1909 O HOH 173 57.338 -14.290 0.489 1.00 28.68 O HETATM 1910 O HOH 174 31.361 -0.748 5.277 1.00 26.80 O HETATM 1911 O HOH 175 53.176 -11.612 14.218 1.00 37.05 O HETATM 1912 O HOH 176 40.430 -21.725 6.692 1.00 25.13 O HETATM 1913 O HOH 177 34.002 -16.262 8.556 1.00 28.23 O HETATM 1914 O HOH 178 54.594 -7.795 9.375 1.00 33.02 O HETATM 1915 O HOH 179 53.254 -20.033 -0.253 1.00 18.89 O HETATM 1916 O HOH 180 43.129 -15.827 -9.514 1.00 39.91 O HETATM 1917 O HOH 181 39.504 -21.243 -12.142 1.00 35.56 O HETATM 1918 O HOH 182 30.908 -12.762 2.782 1.00 27.29 O HETATM 1919 O HOH 183 47.519 -19.285 12.169 1.00 26.60 O HETATM 1920 O HOH 184 32.801 -9.018 3.450 1.00 23.96 O HETATM 1921 O HOH 185 41.939 -28.424 -9.346 1.00 33.53 O HETATM 1922 O HOH 186 38.238 -23.604 -5.821 1.00 22.45 O HETATM 1923 O HOH 187 44.306 -15.117 17.492 1.00 31.58 O HETATM 1924 O HOH 188 36.015 -16.036 -10.585 1.00 32.67 O HETATM 1925 O HOH 189 53.465 -22.168 -7.109 1.00 30.84 O HETATM 1926 O HOH 190 49.076 -11.533 15.090 1.00 32.51 O HETATM 1927 O HOH 191 36.628 -16.331 15.316 1.00 25.78 O HETATM 1928 O HOH 192 55.312 -21.110 -3.968 1.00 30.04 O HETATM 1929 O HOH 193 27.039 2.451 -0.476 1.00 45.84 O HETATM 1930 O HOH 194 48.556 -22.820 -12.466 1.00 32.38 O HETATM 1931 O HOH 195 48.293 -4.542 -9.626 1.00 27.45 O HETATM 1932 O HOH 196 49.018 1.717 -7.938 1.00 27.20 O HETATM 1933 O HOH 197 33.306 -8.962 0.588 1.00 20.32 O HETATM 1934 O HOH 198 45.665 -28.493 -5.990 1.00 31.91 O HETATM 1935 O HOH 199 34.631 -8.861 10.337 1.00 27.40 O HETATM 1936 O HOH 200 47.524 -8.329 11.432 1.00 22.12 O HETATM 1937 O HOH 201 44.928 -4.970 -15.023 1.00 31.29 O HETATM 1938 O HOH 202 37.741 -15.590 -7.452 1.00 22.44 O HETATM 1939 O HOH 203 51.374 -8.008 0.587 1.00 22.05 O HETATM 1940 O HOH 204 50.660 -3.261 -3.364 1.00 22.77 O HETATM 1941 O HOH 205 52.465 -27.261 -12.662 1.00 27.38 O HETATM 1942 O HOH 206 48.533 -27.215 -7.949 1.00 26.10 O HETATM 1943 O HOH 207 31.533 2.136 -0.445 1.00 31.02 O HETATM 1944 O HOH 208 42.462 -22.947 14.749 1.00 35.49 O HETATM 1945 O HOH 209 51.653 -24.500 -13.670 1.00 36.72 O HETATM 1946 O HOH 210 33.303 -6.357 4.051 1.00 22.76 O HETATM 1947 O HOH 211 32.921 -15.808 6.156 1.00 27.96 O HETATM 1948 O HOH 212 49.308 -20.596 5.760 1.00 29.08 O HETATM 1949 O HOH 213 36.091 -14.850 11.601 1.00 22.56 O HETATM 1950 O HOH 214 37.275 -19.204 14.957 1.00 34.24 O HETATM 1951 O HOH 215 35.688 -17.451 -7.553 1.00 23.18 O HETATM 1952 O HOH 216 43.780 -22.270 -10.068 1.00 24.51 O HETATM 1953 O HOH 217 50.440 -1.953 3.296 1.00 33.09 O HETATM 1954 O HOH 218 36.925 -12.433 13.313 1.00 33.03 O HETATM 1955 O HOH 219 38.050 -21.617 5.613 1.00 29.92 O HETATM 1956 O HOH 220 55.962 -0.779 7.940 1.00 50.06 O HETATM 1957 O HOH 221 54.717 -7.664 6.757 1.00 34.46 O HETATM 1958 O HOH 222 43.072 -27.564 -5.037 1.00 31.38 O HETATM 1959 O HOH 223 46.535 2.611 -12.059 1.00 33.22 O HETATM 1960 O HOH 224 52.213 -9.298 11.952 1.00 37.62 O HETATM 1961 O HOH 225 31.687 -8.600 9.758 1.00 31.91 O HETATM 1962 O HOH 226 43.338 -19.531 -10.552 1.00 31.83 O HETATM 1963 O HOH 227 56.688 -11.360 -0.822 1.00 39.52 O HETATM 1964 O HOH 228 43.437 5.361 -15.649 1.00 40.68 O HETATM 1965 O HOH 229 29.618 9.603 -0.105 1.00 27.84 O HETATM 1966 O HOH 230 30.872 -18.400 -2.649 1.00 31.97 O HETATM 1967 O HOH 231 46.033 -23.283 5.187 1.00 23.11 O HETATM 1968 O HOH 232 36.382 -18.402 -11.941 1.00 39.93 O HETATM 1969 O HOH 233 61.222 -11.799 4.004 1.00 44.07 O HETATM 1970 O HOH 234 30.185 -7.314 6.169 1.00 32.45 O HETATM 1971 O HOH 235 40.931 -18.877 15.734 1.00 32.07 O HETATM 1972 O HOH 236 30.252 -6.306 9.803 1.00 36.14 O HETATM 1973 O HOH 237 52.243 -23.483 4.241 1.00 35.93 O HETATM 1974 O HOH 238 53.001 -23.654 -10.724 1.00 38.13 O HETATM 1975 O HOH 239 59.626 -19.855 -1.374 1.00 32.94 O HETATM 1976 O HOH 240 37.426 -14.138 19.915 1.00 36.69 O HETATM 1977 O HOH 241 30.112 -12.182 -3.948 1.00 27.43 O HETATM 1978 O HOH 242 49.755 -0.996 1.007 1.00 33.47 O HETATM 1979 O HOH 243 49.841 -1.972 -5.895 1.00 28.00 O HETATM 1980 O HOH 244 50.008 -6.080 10.536 1.00 30.26 O HETATM 1981 O HOH 245 44.550 -15.927 -13.310 1.00 50.41 O HETATM 1982 O HOH 246 49.861 0.283 -5.359 1.00 32.99 O HETATM 1983 O HOH 247 48.946 -16.728 17.252 1.00 36.10 O HETATM 1984 O HOH 248 34.727 -10.648 11.949 1.00 36.47 O HETATM 1985 O HOH 249 48.844 -3.194 10.091 1.00 27.49 O HETATM 1986 O HOH 250 59.444 -12.324 0.521 1.00 45.76 O HETATM 1987 O HOH 251 44.515 -20.821 17.959 1.00 32.68 O HETATM 1988 O HOH 252 33.786 -17.953 -9.018 1.00 34.12 O HETATM 1989 O HOH 253 36.477 -13.893 15.536 1.00 29.52 O HETATM 1990 O HOH 254 50.156 -14.266 -7.891 1.00 40.38 O HETATM 1991 O HOH 255 46.245 6.358 -12.747 1.00 31.63 O HETATM 1992 O HOH 256 31.136 -4.972 4.699 1.00 31.38 O HETATM 1993 O HOH 257 53.776 -5.210 3.715 1.00 39.62 O HETATM 1994 O HOH 258 40.670 -27.863 -11.871 1.00 31.28 O HETATM 1995 O HOH 259 30.349 -9.983 2.738 1.00 32.07 O HETATM 1996 O HOH 260 50.945 -20.185 -10.308 1.00 38.11 O HETATM 1997 O HOH 261 49.464 -12.556 -6.787 1.00 37.18 O HETATM 1998 O HOH 262 49.756 -9.412 12.908 1.00 31.42 O HETATM 1999 O HOH 263 53.546 -21.460 -9.843 1.00 41.54 O HETATM 2000 O HOH 264 50.343 -3.041 -8.157 1.00 33.20 O HETATM 2001 O HOH 265 46.023 -30.828 0.346 1.00 41.32 O HETATM 2002 O HOH 266 40.886 -22.691 -13.347 1.00 35.98 O HETATM 2003 O HOH 267 35.615 -10.509 13.927 1.00 39.25 O HETATM 2004 O HOH 268 51.386 -1.331 -1.466 1.00 30.53 O HETATM 2005 O HOH 269 41.535 -21.661 17.527 1.00 41.36 O HETATM 2006 O HOH 270 28.510 -8.955 4.389 1.00 39.76 O HETATM 2007 O HOH 271 37.664 -4.833 -11.084 1.00 34.67 O HETATM 2008 O HOH 272 46.362 -9.405 -8.495 1.00 42.52 O HETATM 2009 O HOH 273 51.642 -1.427 -9.860 1.00 39.15 O HETATM 2010 O HOH 274 53.564 -2.120 0.258 1.00 31.65 O HETATM 2011 O HOH 275 46.511 -14.765 -9.106 1.00 49.93 O HETATM 2012 O HOH 276 45.398 -13.399 -7.472 1.00 46.59 O HETATM 2013 O HOH 277 48.365 -12.024 -9.411 1.00 46.03 O HETATM 2014 C10 UNN A 278 36.395 -4.185 13.491 1.00 -0.02 C HETATM 2015 C12 UNN A 278 36.779 -2.812 13.439 1.00 0.00 C HETATM 2016 C11 UNN A 278 35.912 -1.964 12.812 1.00 -0.05 C HETATM 2017 C16 UNN A 278 36.154 -0.586 12.680 1.00 -0.08 C HETATM 2018 C20 UNN A 278 37.308 -0.031 13.195 1.00 -0.05 C HETATM 2019 C19 UNN A 278 38.202 -0.858 13.828 1.00 0.11 C HETATM 2020 O02 UNN A 278 39.366 -0.339 14.373 1.00 -0.34 O HETATM 2021 H9 UNN A 278 39.869 -1.040 14.770 1.00 0.24 H HETATM 2022 C17 UNN A 278 37.969 -2.219 13.966 1.00 0.12 C HETATM 2023 O01 UNN A 278 38.980 -2.873 14.645 1.00 -0.34 O HETATM 2024 H8 UNN A 278 39.065 -2.504 15.516 1.00 0.25 H HETATM 2025 H7 UNN A 278 37.503 1.031 13.102 1.00 0.05 H HETATM 2026 H6 UNN A 278 35.432 0.043 12.172 1.00 0.04 H HETATM 2027 C06 UNN A 278 34.639 -2.291 12.195 1.00 -0.05 C HETATM 2028 C04 UNN A 278 34.250 -3.726 12.292 1.00 0.04 C HETATM 2029 N03 UNN A 278 32.855 -4.102 12.200 1.00 -0.31 N HETATM 2030 C13 UNN A 278 31.749 -3.224 11.868 1.00 0.02 C HETATM 2031 H1 UNN A 278 30.810 -3.797 11.877 1.00 0.05 H HETATM 2032 H2 UNN A 278 31.908 -2.796 10.867 1.00 0.05 H HETATM 2033 H3 UNN A 278 31.690 -2.413 12.608 1.00 0.05 H HETATM 2034 C08 UNN A 278 32.441 -5.501 12.442 1.00 0.04 C HETATM 2035 C09 UNN A 278 33.566 -6.572 12.455 1.00 0.00 C HETATM 2036 C07 UNN A 278 34.821 -5.950 12.990 1.00 -0.03 C HETATM 2037 C14 UNN A 278 35.619 -6.922 13.583 1.00 -0.06 C HETATM 2038 C18 UNN A 278 36.840 -6.476 14.147 1.00 -0.07 C HETATM 2039 C15 UNN A 278 37.225 -5.119 14.097 1.00 -0.07 C HETATM 2040 H5 UNN A 278 38.168 -4.806 14.531 1.00 0.05 H HETATM 2041 H15 UNN A 278 37.494 -7.194 14.628 1.00 0.06 H HETATM 2042 H4 UNN A 278 35.323 -7.964 13.612 1.00 0.05 H HETATM 2043 C05 UNN A 278 35.183 -4.667 12.946 1.00 0.01 C HETATM 2044 H13 UNN A 278 33.268 -7.413 13.098 1.00 0.05 H HETATM 2045 H14 UNN A 278 33.741 -6.936 11.432 1.00 0.05 H HETATM 2046 H11 UNN A 278 31.727 -5.778 11.652 1.00 0.05 H HETATM 2047 H12 UNN A 278 31.938 -5.535 13.420 1.00 0.05 H HETATM 2048 H10 UNN A 278 34.020 -1.550 11.703 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 177 176 1740 CONECT 207 206 1740 CONECT 222 221 1740 CONECT 255 254 1740 CONECT 612 611 1741 CONECT 629 628 1741 CONECT 643 642 1741 CONECT 654 653 1741 CONECT 869 870 877 878 879 CONECT 877 869 CONECT 878 869 CONECT 879 869 CONECT 1045 1044 1737 CONECT 1075 1074 1737 CONECT 1090 1089 1737 CONECT 1123 1122 1737 CONECT 1480 1479 1738 CONECT 1497 1496 1738 CONECT 1511 1510 1738 CONECT 1522 1521 1738 CONECT 1737 1045 1075 1090 1123 CONECT 1738 1480 1497 1511 1522 CONECT 1740 177 207 222 255 CONECT 1741 612 629 643 654 CONECT 2014 2015 2039 2043 CONECT 2015 2014 2016 2022 CONECT 2016 2015 2017 2027 CONECT 2017 2016 2018 2026 CONECT 2018 2017 2019 2025 CONECT 2019 2018 2020 2022 CONECT 2020 2019 2021 CONECT 2021 2020 CONECT 2022 2015 2019 2023 CONECT 2023 2022 2024 CONECT 2024 2023 CONECT 2025 2018 CONECT 2026 2017 CONECT 2027 2016 2028 2048 CONECT 2028 2027 2029 2043 CONECT 2029 2028 2030 2034 CONECT 2030 2029 2031 2032 2033 CONECT 2031 2030 CONECT 2032 2030 CONECT 2033 2030 CONECT 2034 2029 2035 2046 2047 CONECT 2035 2034 2036 2044 2045 CONECT 2036 2035 2037 2043 CONECT 2037 2036 2038 2042 CONECT 2038 2037 2039 2041 CONECT 2039 2014 2038 2040 CONECT 2040 2039 CONECT 2041 2038 CONECT 2042 2037 CONECT 2043 2014 2028 2036 CONECT 2044 2035 CONECT 2045 2035 CONECT 2046 2034 CONECT 2047 2034 CONECT 2048 2027 MASTER 0 0 0 0 0 0 0 0 2046 2 63 14 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5er4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1mq1
RCSB PDB
PDBbind
91aa, >1MQ1_1|Chains... at 97%
1mwn
RCSB PDB
PDBbind
92aa, >1MWN_1|Chains... *
2m49
RCSB PDB
PDBbind
91aa, >2M49_2|Chains... at 97%
3cr4
RCSB PDB
PDBbind
92aa, >3CR4_1|Chain... at 95%
3cr5
RCSB PDB
PDBbind
92aa, >3CR5_1|Chain... at 95%
3gk1
RCSB PDB
PDBbind
92aa, >3GK1_1|Chain... at 95%
3gk2
RCSB PDB
PDBbind
92aa, >3GK2_1|Chain... at 95%
3gk4
RCSB PDB
PDBbind
92aa, >3GK4_1|Chain... at 95%
3hcm
RCSB PDB
PDBbind
92aa, >3HCM_1|Chains... at 97%
3iqq
RCSB PDB
PDBbind
92aa, >3IQQ_1|Chain... at 95%
3lk0
RCSB PDB
PDBbind
90aa, >3LK0_1|Chains... at 95%
3lk1
RCSB PDB
PDBbind
90aa, >3LK1_1|Chain... at 95%
3lle
RCSB PDB
PDBbind
92aa, >3LLE_1|Chains... at 95%
4fqo
RCSB PDB
PDBbind
89aa, >4FQO_1|Chain... at 95%
4xyn
RCSB PDB
PDBbind
92aa, >4XYN_2|Chains... at 97%
5dkn
RCSB PDB
PDBbind
92aa, >5DKN_1|Chain... at 95%
5dkr
RCSB PDB
PDBbind
92aa, >5DKR_1|Chains... at 95%
5er5
RCSB PDB
PDBbind
92aa, >5ER5_1|Chain... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5er4
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Calcium-loaded S100B
Ligand Name
5RL
EC.Number
E.C.-.-.-.-
Resolution
1.81(Å)
Affinity (Kd/Ki/IC50)
Kd=1752uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Acta Crystallogr.,Sect.D Vol. D72: pp. 753-760
Ligand Properties
Formula
C
1
7
H
1
5
NO
2
Molecular Weight
265.307
Exact Mass
265.110
No. of atoms
35
No. of bonds
38
Polar Surface Area
43.7
LOGP Value
3.87 (
Computed with XLOGP3
)
3.46 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 4
Canonical SMILES
CN1CCc2c3c1cc1ccc(c(c1c3ccc2)O)O
InChI String
InChI=1S/C17H15NO2/c1-18-8-7-10-3-2-4-12-15(10)13(18)9-11-5-6-14(19)17(20)16(11)12/h2-6,9,19-20H,7-8H2,1H3
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):
P02638
Entrez Gene ID
NCBI Entrez Gene ID:
525716
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓