Browse entries in the PDBbind-CN Database
HEADER 5DKN_COMPLEX COMPND 5DKN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 91 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 A 91 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 A 91 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 A 91 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 A 91 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 A 91 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 A 91 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE GLU HIS SEQRES 1 B 91 MET SER GLU LEU GLU LYS ALA VAL VAL ALA LEU ILE ASP SEQRES 2 B 91 VAL PHE HIS GLN TYR SER GLY ARG GLU GLY ASP LYS HIS SEQRES 3 B 91 LYS LEU LYS LYS SER GLU LEU LYS GLU LEU ILE ASN ASN SEQRES 4 B 91 GLU LEU SER HIS PHE LEU GLU GLU ILE LYS GLU GLN GLU SEQRES 5 B 91 VAL VAL ASP LYS VAL MET GLU THR LEU ASP SER ASP GLY SEQRES 6 B 91 ASP GLY GLU CYS ASP PHE GLN GLU PHE MET ALA PHE VAL SEQRES 7 B 91 ALA MET ILE THR THR ALA CYS HIS GLU PHE PHE GLU HIS HET CA A 1 1 HET CA A 2 1 HET CA A 3 1 HET CA A 4 1 HET B A 7I 59 ATOM 1 N MET A 0 53.465 -2.809 54.212 1.00 28.35 N ATOM 2 CA MET A 0 54.666 -3.537 54.625 1.00 22.53 C ATOM 3 C MET A 0 54.870 -3.445 56.143 1.00 18.90 C ATOM 4 O MET A 0 54.575 -2.414 56.753 1.00 22.46 O ATOM 5 CB MET A 0 55.903 -3.019 53.868 1.00 23.17 C ATOM 6 CG MET A 0 55.928 -3.367 52.364 1.00 22.17 C ATOM 7 SD MET A 0 57.205 -2.492 51.415 1.00 27.62 S ATOM 8 CE MET A 0 58.698 -3.121 52.182 1.00 23.37 C ATOM 9 HN3 MET A 0 53.560 -1.808 54.476 1.00 0.00 H ATOM 10 HN2 MET A 0 52.634 -3.217 54.686 1.00 0.00 H ATOM 11 HN1 MET A 0 53.351 -2.887 53.181 1.00 0.00 H ATOM 12 N SER A 1 55.357 -4.529 56.752 1.00 15.77 N ATOM 13 CA SER A 1 55.643 -4.548 58.188 1.00 15.41 C ATOM 14 C SER A 1 56.850 -3.675 58.519 1.00 15.40 C ATOM 15 O SER A 1 57.604 -3.309 57.622 1.00 13.51 O ATOM 16 CB SER A 1 55.949 -5.972 58.637 1.00 16.12 C ATOM 17 OG SER A 1 57.217 -6.378 58.147 1.00 14.54 O ATOM 18 HG SER A 1 57.404 -7.303 58.445 1.00 0.00 H ATOM 19 H SER A 1 55.539 -5.385 56.190 1.00 0.00 H ATOM 20 N GLU A 2 57.044 -3.362 59.798 1.00 12.33 N ATOM 21 CA GLU A 2 58.236 -2.616 60.215 1.00 12.07 C ATOM 22 C GLU A 2 59.521 -3.363 59.859 1.00 12.97 C ATOM 23 O GLU A 2 60.518 -2.743 59.490 1.00 13.27 O ATOM 24 CB GLU A 2 58.210 -2.290 61.712 1.00 15.16 C ATOM 25 CG GLU A 2 57.174 -1.249 62.102 1.00 19.89 C ATOM 26 CD GLU A 2 57.250 0.000 61.249 1.00 22.03 C ATOM 27 OE1 GLU A 2 58.314 0.655 61.215 1.00 23.49 O ATOM 28 OE2 GLU A 2 56.234 0.339 60.612 1.00 29.81 O ATOM 29 H GLU A 2 56.342 -3.650 60.510 1.00 0.00 H ATOM 30 N LEU A 3 59.502 -4.689 59.968 1.00 12.91 N ATOM 31 CA LEU A 3 60.676 -5.484 59.615 1.00 11.01 C ATOM 32 C LEU A 3 60.962 -5.388 58.122 1.00 12.33 C ATOM 33 O LEU A 3 62.112 -5.190 57.712 1.00 11.48 O ATOM 34 CB LEU A 3 60.484 -6.949 60.038 1.00 11.54 C ATOM 35 CG LEU A 3 61.591 -7.931 59.630 1.00 10.28 C ATOM 36 CD1 LEU A 3 62.965 -7.437 60.087 1.00 10.94 C ATOM 37 CD2 LEU A 3 61.327 -9.335 60.173 1.00 11.93 C ATOM 38 H LEU A 3 58.642 -5.165 60.308 1.00 0.00 H ATOM 39 N GLU A 4 59.924 -5.512 57.302 1.00 13.98 N ATOM 40 CA GLU A 4 60.111 -5.435 55.861 1.00 11.88 C ATOM 41 C GLU A 4 60.632 -4.053 55.457 1.00 13.07 C ATOM 42 O GLU A 4 61.529 -3.942 54.620 1.00 12.54 O ATOM 43 CB GLU A 4 58.817 -5.801 55.124 1.00 12.07 C ATOM 44 CG GLU A 4 58.437 -7.264 55.277 1.00 14.43 C ATOM 45 CD GLU A 4 57.038 -7.569 54.788 1.00 17.74 C ATOM 46 OE1 GLU A 4 56.182 -6.656 54.821 1.00 17.52 O ATOM 47 OE2 GLU A 4 56.799 -8.731 54.385 1.00 16.39 O ATOM 48 H GLU A 4 58.972 -5.665 57.692 1.00 0.00 H ATOM 49 N LYS A 5 60.104 -3.009 56.084 1.00 12.71 N ATOM 50 CA LYS A 5 60.591 -1.652 55.834 1.00 12.21 C ATOM 51 C LYS A 5 62.039 -1.487 56.272 1.00 13.12 C ATOM 52 O LYS A 5 62.821 -0.810 55.601 1.00 12.83 O ATOM 53 CB LYS A 5 59.703 -0.626 56.528 1.00 14.23 C ATOM 54 CG LYS A 5 58.347 -0.517 55.855 1.00 18.25 C ATOM 55 CD LYS A 5 57.536 0.647 56.385 1.00 21.86 C ATOM 56 CE LYS A 5 56.737 0.245 57.596 1.00 26.90 C ATOM 57 NZ LYS A 5 55.759 1.322 57.964 1.00 28.98 N ATOM 58 HZ1 LYS A 5 56.275 2.200 58.176 1.00 0.00 H ATOM 59 HZ2 LYS A 5 55.109 1.484 57.169 1.00 0.00 H ATOM 60 HZ3 LYS A 5 55.218 1.026 58.801 1.00 0.00 H ATOM 61 H LYS A 5 59.331 -3.158 56.764 1.00 0.00 H ATOM 62 N ALA A 6 62.404 -2.121 57.385 1.00 11.31 N ATOM 63 CA ALA A 6 63.771 -2.041 57.893 1.00 10.29 C ATOM 64 C ALA A 6 64.757 -2.681 56.918 1.00 10.05 C ATOM 65 O ALA A 6 65.840 -2.135 56.661 1.00 9.25 O ATOM 66 CB ALA A 6 63.861 -2.714 59.259 1.00 10.99 C ATOM 67 H ALA A 6 61.701 -2.685 57.903 1.00 0.00 H ATOM 68 N VAL A 7 64.389 -3.838 56.382 1.00 8.77 N ATOM 69 CA VAL A 7 65.196 -4.530 55.381 1.00 10.53 C ATOM 70 C VAL A 7 65.451 -3.620 54.183 1.00 9.91 C ATOM 71 O VAL A 7 66.590 -3.464 53.734 1.00 10.27 O ATOM 72 CB VAL A 7 64.481 -5.823 54.929 1.00 9.95 C ATOM 73 CG1 VAL A 7 65.105 -6.385 53.662 1.00 11.32 C ATOM 74 CG2 VAL A 7 64.496 -6.850 56.061 1.00 13.24 C ATOM 75 H VAL A 7 63.492 -4.268 56.686 1.00 0.00 H ATOM 76 N VAL A 8 64.396 -2.985 53.694 1.00 12.92 N ATOM 77 CA VAL A 8 64.549 -2.070 52.567 1.00 11.62 C ATOM 78 C VAL A 8 65.438 -0.879 52.920 1.00 12.50 C ATOM 79 O VAL A 8 66.261 -0.467 52.099 1.00 12.71 O ATOM 80 CB VAL A 8 63.175 -1.611 52.047 1.00 13.38 C ATOM 81 CG1 VAL A 8 63.332 -0.482 51.043 1.00 16.07 C ATOM 82 CG2 VAL A 8 62.439 -2.795 51.422 1.00 17.30 C ATOM 83 H VAL A 8 63.457 -3.139 54.114 1.00 0.00 H ATOM 84 N ALA A 9 65.305 -0.353 54.142 1.00 11.44 N ATOM 85 CA ALA A 9 66.142 0.765 54.589 1.00 9.94 C ATOM 86 C ALA A 9 67.627 0.405 54.568 1.00 9.98 C ATOM 87 O ALA A 9 68.469 1.258 54.266 1.00 10.61 O ATOM 88 CB ALA A 9 65.731 1.227 55.971 1.00 10.33 C ATOM 89 H ALA A 9 64.592 -0.745 54.790 1.00 0.00 H ATOM 90 N LEU A 10 67.956 -0.832 54.924 1.00 10.86 N ATOM 91 CA LEU A 10 69.358 -1.266 54.905 1.00 10.50 C ATOM 92 C LEU A 10 69.919 -1.225 53.486 1.00 10.89 C ATOM 93 O LEU A 10 71.040 -0.749 53.252 1.00 10.48 O ATOM 94 CB LEU A 10 69.499 -2.681 55.478 1.00 10.25 C ATOM 95 CG LEU A 10 69.045 -2.901 56.921 1.00 9.58 C ATOM 96 CD1 LEU A 10 69.318 -4.352 57.324 1.00 10.16 C ATOM 97 CD2 LEU A 10 69.742 -1.958 57.879 1.00 10.38 C ATOM 98 H LEU A 10 67.214 -1.498 55.219 1.00 0.00 H ATOM 99 N ILE A 11 69.136 -1.720 52.534 1.00 10.67 N ATOM 100 CA ILE A 11 69.512 -1.678 51.128 1.00 10.59 C ATOM 101 C ILE A 11 69.620 -0.238 50.632 1.00 12.02 C ATOM 102 O ILE A 11 70.587 0.127 49.944 1.00 13.07 O ATOM 103 CB ILE A 11 68.462 -2.421 50.297 1.00 11.52 C ATOM 104 CG1 ILE A 11 68.477 -3.900 50.676 1.00 10.58 C ATOM 105 CG2 ILE A 11 68.712 -2.228 48.800 1.00 13.51 C ATOM 106 CD1 ILE A 11 67.212 -4.642 50.274 1.00 11.36 C ATOM 107 H ILE A 11 68.228 -2.150 52.801 1.00 0.00 H ATOM 108 N ASP A 12 68.641 0.583 50.985 1.00 12.55 N ATOM 109 CA ASP A 12 68.627 1.965 50.527 1.00 12.00 C ATOM 110 C ASP A 12 69.855 2.739 51.001 1.00 13.67 C ATOM 111 O ASP A 12 70.487 3.452 50.212 1.00 12.97 O ATOM 112 CB ASP A 12 67.355 2.680 50.989 1.00 13.36 C ATOM 113 CG ASP A 12 66.100 2.206 50.255 1.00 17.05 C ATOM 114 OD1 ASP A 12 66.203 1.575 49.179 1.00 20.72 O ATOM 115 OD2 ASP A 12 65.004 2.488 50.769 1.00 24.41 O ATOM 116 H ASP A 12 67.874 0.236 51.596 1.00 0.00 H ATOM 117 N VAL A 13 70.211 2.593 52.277 1.00 10.46 N ATOM 118 CA VAL A 13 71.343 3.371 52.800 1.00 11.15 C ATOM 119 C VAL A 13 72.669 2.921 52.184 1.00 11.61 C ATOM 120 O VAL A 13 73.537 3.755 51.911 1.00 10.89 O ATOM 121 CB VAL A 13 71.418 3.390 54.361 1.00 9.39 C ATOM 122 CG1 VAL A 13 71.863 2.040 54.916 1.00 11.13 C ATOM 123 CG2 VAL A 13 72.353 4.505 54.856 1.00 10.63 C ATOM 124 H VAL A 13 69.694 1.936 52.896 1.00 0.00 H ATOM 125 N PHE A 14 72.828 1.620 51.947 1.00 10.93 N ATOM 126 CA PHE A 14 74.025 1.128 51.273 1.00 11.52 C ATOM 127 C PHE A 14 74.206 1.805 49.918 1.00 11.68 C ATOM 128 O PHE A 14 75.276 2.338 49.624 1.00 12.07 O ATOM 129 CB PHE A 14 73.975 -0.391 51.083 1.00 10.01 C ATOM 130 CG PHE A 14 75.208 -0.961 50.401 1.00 10.21 C ATOM 131 CD1 PHE A 14 76.375 -1.174 51.121 1.00 10.69 C ATOM 132 CD2 PHE A 14 75.198 -1.262 49.043 1.00 11.80 C ATOM 133 CE1 PHE A 14 77.509 -1.702 50.503 1.00 11.55 C ATOM 134 CE2 PHE A 14 76.333 -1.783 48.414 1.00 12.47 C ATOM 135 CZ PHE A 14 77.491 -2.001 49.153 1.00 12.62 C ATOM 136 H PHE A 14 72.092 0.948 52.245 1.00 0.00 H ATOM 137 N HIS A 15 73.150 1.804 49.110 1.00 13.88 N ATOM 138 CA HIS A 15 73.256 2.340 47.754 1.00 14.70 C ATOM 139 C HIS A 15 73.261 3.856 47.688 1.00 15.33 C ATOM 140 O HIS A 15 73.665 4.424 46.677 1.00 19.21 O ATOM 141 CB HIS A 15 72.179 1.750 46.860 1.00 16.68 C ATOM 142 CG HIS A 15 72.482 0.355 46.437 1.00 14.67 C ATOM 143 ND1 HIS A 15 73.366 0.068 45.420 1.00 18.10 N ATOM 144 CD2 HIS A 15 72.048 -0.837 46.909 1.00 15.75 C ATOM 145 CE1 HIS A 15 73.455 -1.241 45.277 1.00 17.95 C ATOM 146 NE2 HIS A 15 72.664 -1.812 46.168 1.00 17.94 N ATOM 147 H HIS A 15 72.243 1.420 49.445 1.00 0.00 H ATOM 148 N GLN A 16 72.829 4.504 48.760 1.00 12.39 N ATOM 149 CA GLN A 16 72.936 5.954 48.852 1.00 12.62 C ATOM 150 C GLN A 16 74.390 6.395 48.997 1.00 11.83 C ATOM 151 O GLN A 16 74.731 7.541 48.677 1.00 14.47 O ATOM 152 CB GLN A 16 72.087 6.462 50.006 1.00 12.48 C ATOM 153 CG GLN A 16 70.611 6.498 49.646 1.00 15.53 C ATOM 154 CD GLN A 16 69.714 6.554 50.859 1.00 18.38 C ATOM 155 OE1 GLN A 16 70.173 6.808 51.973 1.00 19.04 O ATOM 156 NE2 GLN A 16 68.419 6.322 50.649 1.00 16.09 N ATOM 157 HE22 GLN A 16 68.077 6.111 49.690 1.00 0.00 H ATOM 158 HE21 GLN A 16 67.750 6.351 51.445 1.00 0.00 H ATOM 159 H GLN A 16 72.408 3.970 49.547 1.00 0.00 H ATOM 160 N TYR A 17 75.247 5.482 49.448 1.00 12.39 N ATOM 161 CA TYR A 17 76.668 5.800 49.594 1.00 12.77 C ATOM 162 C TYR A 17 77.587 5.072 48.618 1.00 14.01 C ATOM 163 O TYR A 17 78.569 5.652 48.160 1.00 15.37 O ATOM 164 CB TYR A 17 77.117 5.634 51.056 1.00 11.06 C ATOM 165 CG TYR A 17 76.523 6.722 51.901 1.00 12.76 C ATOM 166 CD1 TYR A 17 75.256 6.589 52.458 1.00 12.65 C ATOM 167 CD2 TYR A 17 77.195 7.921 52.089 1.00 14.44 C ATOM 168 CE1 TYR A 17 74.688 7.599 53.200 1.00 14.16 C ATOM 169 CE2 TYR A 17 76.637 8.945 52.832 1.00 15.36 C ATOM 170 CZ TYR A 17 75.380 8.782 53.390 1.00 14.31 C ATOM 171 OH TYR A 17 74.820 9.793 54.131 1.00 16.56 O ATOM 172 HH TYR A 17 73.927 9.510 54.451 1.00 0.00 H ATOM 173 H TYR A 17 74.903 4.533 49.699 1.00 0.00 H ATOM 174 N SER A 18 77.268 3.823 48.288 1.00 14.06 N ATOM 175 CA SER A 18 78.136 2.997 47.440 1.00 12.63 C ATOM 176 C SER A 18 78.243 3.517 46.011 1.00 15.81 C ATOM 177 O SER A 18 79.241 3.275 45.327 1.00 14.15 O ATOM 178 CB SER A 18 77.661 1.542 47.423 1.00 14.10 C ATOM 179 OG SER A 18 76.410 1.416 46.758 1.00 14.90 O ATOM 180 HG SER A 18 76.501 1.730 45.823 1.00 0.00 H ATOM 181 H SER A 18 76.377 3.420 48.642 1.00 0.00 H ATOM 182 N GLY A 19 77.216 4.236 45.566 1.00 16.47 N ATOM 183 CA GLY A 19 77.169 4.687 44.185 1.00 17.71 C ATOM 184 C GLY A 19 77.885 5.992 43.887 1.00 19.23 C ATOM 185 O GLY A 19 78.021 6.366 42.718 1.00 20.84 O ATOM 186 H GLY A 19 76.439 4.478 46.213 1.00 0.00 H ATOM 187 N ARG A 20 78.349 6.678 44.927 1.00 16.08 N ATOM 188 CA ARG A 20 78.922 8.021 44.786 1.00 14.87 C ATOM 189 C ARG A 20 80.248 8.035 44.047 1.00 17.29 C ATOM 190 O ARG A 20 80.519 8.952 43.267 1.00 20.40 O ATOM 191 CB ARG A 20 79.113 8.654 46.163 1.00 16.51 C ATOM 192 CG ARG A 20 77.804 8.844 46.890 1.00 16.79 C ATOM 193 CD ARG A 20 77.960 9.328 48.300 1.00 20.27 C ATOM 194 NE ARG A 20 76.644 9.692 48.811 1.00 22.04 N ATOM 195 CZ ARG A 20 76.392 10.733 49.594 1.00 24.87 C ATOM 196 NH1 ARG A 20 77.375 11.527 49.993 1.00 28.68 N ATOM 197 NH2 ARG A 20 75.152 10.975 49.983 1.00 27.22 N ATOM 198 HE ARG A 20 75.841 9.089 48.541 1.00 0.00 H ATOM 199 HH12 ARG A 20 77.169 12.341 50.607 1.00 0.00 H ATOM 200 HH11 ARG A 20 78.352 11.336 49.692 1.00 0.00 H ATOM 201 HH22 ARG A 20 74.949 11.790 50.597 1.00 0.00 H ATOM 202 HH21 ARG A 20 74.379 10.351 49.675 1.00 0.00 H ATOM 203 H ARG A 20 78.304 6.248 45.873 1.00 0.00 H ATOM 204 N GLU A 21 81.066 7.021 44.304 1.00 16.03 N ATOM 205 CA GLU A 21 82.413 6.944 43.752 1.00 16.36 C ATOM 206 C GLU A 21 82.750 5.541 43.283 1.00 17.92 C ATOM 207 O GLU A 21 82.323 4.553 43.895 1.00 13.69 O ATOM 208 CB GLU A 21 83.437 7.295 44.825 1.00 13.88 C ATOM 209 CG GLU A 21 83.235 8.599 45.535 1.00 15.43 C ATOM 210 CD GLU A 21 84.299 8.798 46.579 1.00 16.64 C ATOM 211 OE1 GLU A 21 85.483 8.978 46.204 1.00 20.17 O ATOM 212 OE2 GLU A 21 83.969 8.733 47.778 1.00 14.49 O ATOM 213 H GLU A 21 80.733 6.253 44.922 1.00 0.00 H ATOM 214 N GLY A 22 83.561 5.466 42.229 1.00 15.97 N ATOM 215 CA GLY A 22 84.174 4.221 41.793 1.00 15.61 C ATOM 216 C GLY A 22 83.171 3.117 41.543 1.00 14.65 C ATOM 217 O GLY A 22 82.124 3.344 40.927 1.00 17.44 O ATOM 218 H GLY A 22 83.765 6.335 41.695 1.00 0.00 H ATOM 219 N ASP A 23 83.498 1.928 42.039 1.00 16.80 N ATOM 220 CA ASP A 23 82.584 0.800 42.011 1.00 17.86 C ATOM 221 C ASP A 23 81.245 1.192 42.641 1.00 14.65 C ATOM 222 O ASP A 23 81.182 1.550 43.819 1.00 14.85 O ATOM 223 CB ASP A 23 83.216 -0.359 42.778 1.00 17.47 C ATOM 224 CG ASP A 23 82.503 -1.667 42.549 1.00 16.11 C ATOM 225 OD1 ASP A 23 81.255 -1.672 42.491 1.00 18.66 O ATOM 226 OD2 ASP A 23 83.189 -2.701 42.441 1.00 22.91 O ATOM 227 H ASP A 23 84.440 1.801 42.461 1.00 0.00 H ATOM 228 N LYS A 24 80.170 1.117 41.860 1.00 18.24 N ATOM 229 CA LYS A 24 78.858 1.531 42.350 1.00 16.30 C ATOM 230 C LYS A 24 78.259 0.523 43.328 1.00 15.50 C ATOM 231 O LYS A 24 77.285 0.823 44.014 1.00 15.78 O ATOM 232 CB LYS A 24 77.895 1.789 41.183 1.00 20.20 C ATOM 233 CG LYS A 24 78.398 2.826 40.192 1.00 26.23 C ATOM 234 CD LYS A 24 77.546 2.819 38.930 1.00 31.16 C ATOM 235 CE LYS A 24 78.264 3.507 37.769 1.00 37.26 C ATOM 236 NZ LYS A 24 77.641 3.181 36.446 1.00 38.29 N ATOM 237 HZ1 LYS A 24 77.682 2.154 36.289 1.00 0.00 H ATOM 238 HZ2 LYS A 24 76.649 3.494 36.445 1.00 0.00 H ATOM 239 HZ3 LYS A 24 78.161 3.670 35.689 1.00 0.00 H ATOM 240 H LYS A 24 80.265 0.759 40.888 1.00 0.00 H ATOM 241 N HIS A 25 78.861 -0.661 43.404 1.00 15.50 N ATOM 242 CA HIS A 25 78.339 -1.741 44.237 1.00 17.65 C ATOM 243 C HIS A 25 79.106 -1.941 45.544 1.00 15.71 C ATOM 244 O HIS A 25 78.806 -2.863 46.298 1.00 14.52 O ATOM 245 CB HIS A 25 78.333 -3.043 43.442 1.00 18.67 C ATOM 246 CG HIS A 25 77.596 -2.942 42.146 1.00 23.82 C ATOM 247 ND1 HIS A 25 76.230 -2.772 42.081 1.00 27.71 N ATOM 248 CD2 HIS A 25 78.035 -2.969 40.865 1.00 27.11 C ATOM 249 CE1 HIS A 25 75.858 -2.706 40.815 1.00 29.42 C ATOM 250 NE2 HIS A 25 76.933 -2.829 40.057 1.00 31.88 N ATOM 251 H HIS A 25 79.729 -0.822 42.854 1.00 0.00 H ATOM 252 N LYS A 26 80.103 -1.099 45.795 1.00 12.71 N ATOM 253 CA LYS A 26 80.920 -1.223 46.994 1.00 12.48 C ATOM 254 C LYS A 26 81.161 0.135 47.630 1.00 10.83 C ATOM 255 O LYS A 26 81.173 1.162 46.942 1.00 12.17 O ATOM 256 CB LYS A 26 82.267 -1.878 46.662 1.00 12.45 C ATOM 257 CG LYS A 26 82.196 -3.236 45.981 1.00 13.36 C ATOM 258 CD LYS A 26 83.594 -3.777 45.696 1.00 14.54 C ATOM 259 CE LYS A 26 83.527 -5.089 44.940 1.00 19.21 C ATOM 260 NZ LYS A 26 84.893 -5.558 44.543 1.00 25.21 N ATOM 261 HZ1 LYS A 26 85.339 -4.845 43.931 1.00 0.00 H ATOM 262 HZ2 LYS A 26 85.472 -5.696 45.396 1.00 0.00 H ATOM 263 HZ3 LYS A 26 84.813 -6.458 44.028 1.00 0.00 H ATOM 264 H LYS A 26 80.304 -0.334 45.120 1.00 0.00 H ATOM 265 N LEU A 27 81.350 0.136 48.947 1.00 11.20 N ATOM 266 CA LEU A 27 81.773 1.323 49.672 1.00 10.71 C ATOM 267 C LEU A 27 83.296 1.358 49.774 1.00 11.11 C ATOM 268 O LEU A 27 83.904 0.481 50.396 1.00 12.44 O ATOM 269 CB LEU A 27 81.200 1.323 51.088 1.00 12.33 C ATOM 270 CG LEU A 27 79.689 1.277 51.279 1.00 11.44 C ATOM 271 CD1 LEU A 27 79.380 0.840 52.718 1.00 11.61 C ATOM 272 CD2 LEU A 27 79.083 2.642 50.987 1.00 13.02 C ATOM 273 H LEU A 27 81.189 -0.744 49.477 1.00 0.00 H ATOM 274 N LYS A 28 83.919 2.367 49.170 1.00 11.17 N ATOM 275 CA LYS A 28 85.336 2.600 49.444 1.00 11.02 C ATOM 276 C LYS A 28 85.419 3.374 50.760 1.00 11.30 C ATOM 277 O LYS A 28 84.394 3.810 51.281 1.00 12.51 O ATOM 278 CB LYS A 28 86.020 3.345 48.293 1.00 12.45 C ATOM 279 CG LYS A 28 85.415 4.694 47.970 1.00 13.34 C ATOM 280 CD LYS A 28 85.931 5.222 46.624 1.00 15.92 C ATOM 281 CE LYS A 28 87.404 5.556 46.669 1.00 14.89 C ATOM 282 NZ LYS A 28 87.689 6.954 47.101 1.00 14.64 N ATOM 283 HZ1 LYS A 28 87.240 7.619 46.439 1.00 0.00 H ATOM 284 HZ2 LYS A 28 87.308 7.105 48.057 1.00 0.00 H ATOM 285 HZ3 LYS A 28 88.717 7.111 47.108 1.00 0.00 H ATOM 286 H LYS A 28 83.403 2.983 48.510 1.00 0.00 H ATOM 287 N LYS A 29 86.620 3.532 51.302 1.00 12.07 N ATOM 288 CA LYS A 29 86.786 4.152 52.616 1.00 10.09 C ATOM 289 C LYS A 29 86.140 5.533 52.724 1.00 12.65 C ATOM 290 O LYS A 29 85.520 5.856 53.736 1.00 10.61 O ATOM 291 CB LYS A 29 88.268 4.221 53.005 1.00 11.24 C ATOM 292 CG LYS A 29 88.839 2.880 53.469 1.00 12.32 C ATOM 293 CD LYS A 29 90.289 3.025 53.917 1.00 16.03 C ATOM 294 CE LYS A 29 91.172 3.467 52.761 1.00 18.42 C ATOM 295 NZ LYS A 29 91.313 2.417 51.720 1.00 24.31 N ATOM 296 HZ1 LYS A 29 91.738 1.567 52.142 1.00 0.00 H ATOM 297 HZ2 LYS A 29 90.375 2.183 51.336 1.00 0.00 H ATOM 298 HZ3 LYS A 29 91.924 2.769 50.955 1.00 0.00 H ATOM 299 H LYS A 29 87.460 3.208 50.782 1.00 0.00 H ATOM 300 N SER A 30 86.265 6.343 51.676 1.00 11.69 N ATOM 301 CA SER A 30 85.662 7.672 51.707 1.00 12.00 C ATOM 302 C SER A 30 84.138 7.624 51.829 1.00 12.73 C ATOM 303 O SER A 30 83.561 8.410 52.575 1.00 13.81 O ATOM 304 CB SER A 30 86.098 8.508 50.497 1.00 12.63 C ATOM 305 OG SER A 30 85.927 7.817 49.273 1.00 13.13 O ATOM 306 HG SER A 30 84.971 7.585 49.157 1.00 0.00 H ATOM 307 H SER A 30 86.792 6.030 50.836 1.00 0.00 H ATOM 308 N GLU A 31 83.509 6.686 51.123 1.00 11.60 N ATOM 309 CA GLU A 31 82.060 6.487 51.188 1.00 12.10 C ATOM 310 C GLU A 31 81.634 5.950 52.553 1.00 11.28 C ATOM 311 O GLU A 31 80.652 6.407 53.142 1.00 12.23 O ATOM 312 CB GLU A 31 81.622 5.535 50.078 1.00 13.17 C ATOM 313 CG GLU A 31 81.841 6.101 48.679 1.00 11.61 C ATOM 314 CD GLU A 31 81.635 5.069 47.603 1.00 14.33 C ATOM 315 OE1 GLU A 31 81.979 3.888 47.828 1.00 12.82 O ATOM 316 OE2 GLU A 31 81.135 5.423 46.517 1.00 13.06 O ATOM 317 H GLU A 31 84.070 6.070 50.500 1.00 0.00 H ATOM 318 N LEU A 32 82.392 4.984 53.056 1.00 10.81 N ATOM 319 CA LEU A 32 82.125 4.421 54.376 1.00 11.64 C ATOM 320 C LEU A 32 82.208 5.475 55.478 1.00 12.53 C ATOM 321 O LEU A 32 81.379 5.508 56.387 1.00 11.80 O ATOM 322 CB LEU A 32 83.093 3.269 54.657 1.00 12.61 C ATOM 323 CG LEU A 32 82.986 2.630 56.044 1.00 11.26 C ATOM 324 CD1 LEU A 32 81.655 1.917 56.181 1.00 12.13 C ATOM 325 CD2 LEU A 32 84.135 1.651 56.248 1.00 11.32 C ATOM 326 H LEU A 32 83.192 4.621 52.499 1.00 0.00 H ATOM 327 N LYS A 33 83.207 6.347 55.391 1.00 10.48 N ATOM 328 CA LYS A 33 83.319 7.446 56.340 1.00 11.50 C ATOM 329 C LYS A 33 82.078 8.351 56.318 1.00 12.37 C ATOM 330 O LYS A 33 81.550 8.725 57.374 1.00 12.73 O ATOM 331 CB LYS A 33 84.577 8.275 56.046 1.00 12.71 C ATOM 332 CG LYS A 33 84.703 9.529 56.908 1.00 15.31 C ATOM 333 CD LYS A 33 85.999 10.284 56.609 1.00 16.44 C ATOM 334 CE LYS A 33 86.050 11.612 57.351 1.00 19.88 C ATOM 335 NZ LYS A 33 87.222 12.436 56.912 1.00 22.23 N ATOM 336 HZ1 LYS A 33 88.102 11.915 57.104 1.00 0.00 H ATOM 337 HZ2 LYS A 33 87.147 12.628 55.893 1.00 0.00 H ATOM 338 HZ3 LYS A 33 87.228 13.334 57.436 1.00 0.00 H ATOM 339 H LYS A 33 83.916 6.244 54.637 1.00 0.00 H ATOM 340 N GLU A 34 81.618 8.692 55.116 1.00 12.29 N ATOM 341 CA GLU A 34 80.428 9.518 54.963 1.00 13.90 C ATOM 342 C GLU A 34 79.193 8.840 55.560 1.00 13.91 C ATOM 343 O GLU A 34 78.404 9.464 56.274 1.00 12.53 O ATOM 344 CB GLU A 34 80.201 9.846 53.488 1.00 13.01 C ATOM 345 CG GLU A 34 81.263 10.778 52.896 1.00 16.53 C ATOM 346 CD GLU A 34 81.489 12.001 53.750 1.00 23.62 C ATOM 347 OE1 GLU A 34 80.561 12.832 53.856 1.00 28.18 O ATOM 348 OE2 GLU A 34 82.593 12.130 54.326 1.00 27.68 O ATOM 349 H GLU A 34 82.120 8.361 54.267 1.00 0.00 H ATOM 350 N LEU A 35 79.025 7.556 55.274 1.00 11.97 N ATOM 351 CA LEU A 35 77.873 6.825 55.786 1.00 11.67 C ATOM 352 C LEU A 35 77.864 6.824 57.315 1.00 12.49 C ATOM 353 O LEU A 35 76.833 7.075 57.938 1.00 12.00 O ATOM 354 CB LEU A 35 77.894 5.393 55.246 1.00 9.57 C ATOM 355 CG LEU A 35 76.720 4.453 55.583 1.00 11.80 C ATOM 356 CD1 LEU A 35 76.574 3.377 54.516 1.00 13.24 C ATOM 357 CD2 LEU A 35 76.882 3.805 56.972 1.00 11.59 C ATOM 358 H LEU A 35 79.722 7.066 54.678 1.00 0.00 H ATOM 359 N ILE A 36 79.003 6.492 57.914 1.00 11.14 N ATOM 360 CA ILE A 36 79.120 6.460 59.367 1.00 11.76 C ATOM 361 C ILE A 36 78.848 7.842 59.995 1.00 12.06 C ATOM 362 O ILE A 36 78.066 7.962 60.947 1.00 12.94 O ATOM 363 CB ILE A 36 80.512 5.905 59.801 1.00 10.37 C ATOM 364 CG1 ILE A 36 80.602 4.398 59.503 1.00 12.81 C ATOM 365 CG2 ILE A 36 80.781 6.209 61.267 1.00 11.77 C ATOM 366 CD1 ILE A 36 82.004 3.815 59.653 1.00 11.30 C ATOM 367 H ILE A 36 79.830 6.249 57.333 1.00 0.00 H ATOM 368 N ASN A 37 79.466 8.887 59.449 1.00 12.79 N ATOM 369 CA ASN A 37 79.299 10.237 59.984 1.00 16.16 C ATOM 370 C ASN A 37 77.899 10.809 59.775 1.00 15.48 C ATOM 371 O ASN A 37 77.409 11.560 60.614 1.00 16.79 O ATOM 372 CB ASN A 37 80.362 11.181 59.407 1.00 15.95 C ATOM 373 CG ASN A 37 81.738 10.906 59.958 1.00 15.91 C ATOM 374 OD1 ASN A 37 81.896 10.125 60.899 1.00 16.16 O ATOM 375 ND2 ASN A 37 82.753 11.548 59.371 1.00 16.37 N ATOM 376 HD22 ASN A 37 82.569 12.198 58.580 1.00 0.00 H ATOM 377 HD21 ASN A 37 83.726 11.398 59.705 1.00 0.00 H ATOM 378 H ASN A 37 80.081 8.740 58.624 1.00 0.00 H ATOM 379 N ASN A 38 77.251 10.444 58.672 1.00 12.69 N ATOM 380 CA ASN A 38 75.936 11.005 58.352 1.00 14.66 C ATOM 381 C ASN A 38 74.762 10.186 58.859 1.00 14.44 C ATOM 382 O ASN A 38 73.706 10.737 59.157 1.00 16.69 O ATOM 383 CB ASN A 38 75.763 11.164 56.845 1.00 16.88 C ATOM 384 CG ASN A 38 76.641 12.235 56.263 1.00 20.08 C ATOM 385 OD1 ASN A 38 77.247 13.025 56.988 1.00 22.64 O ATOM 386 ND2 ASN A 38 76.708 12.274 54.938 1.00 23.98 N ATOM 387 HD22 ASN A 38 76.177 11.584 54.370 1.00 0.00 H ATOM 388 HD21 ASN A 38 77.292 12.995 54.468 1.00 0.00 H ATOM 389 H ASN A 38 77.684 9.751 58.028 1.00 0.00 H ATOM 390 N GLU A 39 74.935 8.869 58.929 1.00 11.92 N ATOM 391 CA GLU A 39 73.802 7.982 59.196 1.00 14.00 C ATOM 392 C GLU A 39 73.908 7.215 60.503 1.00 12.22 C ATOM 393 O GLU A 39 72.944 6.551 60.911 1.00 13.90 O ATOM 394 CB GLU A 39 73.616 6.988 58.043 1.00 13.41 C ATOM 395 CG GLU A 39 73.667 7.599 56.637 1.00 12.80 C ATOM 396 CD GLU A 39 72.556 8.611 56.367 1.00 15.61 C ATOM 397 OE1 GLU A 39 71.546 8.652 57.112 1.00 14.47 O ATOM 398 OE2 GLU A 39 72.690 9.375 55.384 1.00 18.07 O ATOM 399 H GLU A 39 75.884 8.466 58.793 1.00 0.00 H ATOM 400 N LEU A 40 75.071 7.278 61.146 1.00 13.08 N ATOM 401 CA LEU A 40 75.274 6.588 62.416 1.00 12.46 C ATOM 402 C LEU A 40 75.779 7.537 63.495 1.00 13.76 C ATOM 403 O LEU A 40 76.461 7.112 64.430 1.00 16.52 O ATOM 404 CB LEU A 40 76.232 5.405 62.243 1.00 12.61 C ATOM 405 CG LEU A 40 75.646 4.254 61.428 1.00 11.45 C ATOM 406 CD1 LEU A 40 76.754 3.288 61.043 1.00 12.35 C ATOM 407 CD2 LEU A 40 74.558 3.518 62.203 1.00 14.17 C ATOM 408 H LEU A 40 75.851 7.830 60.736 1.00 0.00 H ATOM 409 N SER A 41 75.415 8.812 63.376 1.00 15.99 N ATOM 410 CA SER A 41 75.930 9.836 64.281 1.00 17.32 C ATOM 411 C SER A 41 75.461 9.692 65.732 1.00 18.37 C ATOM 412 O SER A 41 76.086 10.243 66.637 1.00 20.24 O ATOM 413 CB SER A 41 75.586 11.237 63.764 1.00 18.70 C ATOM 414 OG SER A 41 74.193 11.461 63.828 1.00 20.15 O ATOM 415 HG SER A 41 73.726 10.789 63.271 1.00 0.00 H ATOM 416 H SER A 41 74.751 9.084 62.624 1.00 0.00 H ATOM 417 N HIS A 42 74.374 8.961 65.963 1.00 17.94 N ATOM 418 CA HIS A 42 73.893 8.760 67.330 1.00 18.63 C ATOM 419 C HIS A 42 74.325 7.418 67.926 1.00 19.04 C ATOM 420 O HIS A 42 74.068 7.157 69.106 1.00 22.47 O ATOM 421 CB HIS A 42 72.368 8.887 67.389 1.00 20.49 C ATOM 422 CG HIS A 42 71.845 10.119 66.724 1.00 18.74 C ATOM 423 ND1 HIS A 42 71.209 10.092 65.502 1.00 19.64 N ATOM 424 CD2 HIS A 42 71.890 11.421 67.097 1.00 19.87 C ATOM 425 CE1 HIS A 42 70.869 11.322 65.158 1.00 21.76 C ATOM 426 NE2 HIS A 42 71.277 12.147 66.106 1.00 21.05 N ATOM 427 H HIS A 42 73.863 8.530 65.167 1.00 0.00 H ATOM 428 N PHE A 43 74.979 6.578 67.118 1.00 17.25 N ATOM 429 CA PHE A 43 75.434 5.259 67.570 1.00 17.67 C ATOM 430 C PHE A 43 76.950 5.160 67.662 1.00 20.38 C ATOM 431 O PHE A 43 77.484 4.496 68.556 1.00 23.35 O ATOM 432 CB PHE A 43 74.946 4.149 66.626 1.00 17.12 C ATOM 433 CG PHE A 43 73.477 3.849 66.718 1.00 16.02 C ATOM 434 CD1 PHE A 43 72.632 4.578 67.544 1.00 17.11 C ATOM 435 CD2 PHE A 43 72.938 2.820 65.953 1.00 16.65 C ATOM 436 CE1 PHE A 43 71.284 4.291 67.605 1.00 17.56 C ATOM 437 CE2 PHE A 43 71.591 2.524 66.014 1.00 16.02 C ATOM 438 CZ PHE A 43 70.759 3.258 66.840 1.00 17.08 C ATOM 439 H PHE A 43 75.171 6.869 66.138 1.00 0.00 H ATOM 440 N LEU A 44 77.639 5.798 66.719 1.00 18.09 N ATOM 441 CA LEU A 44 79.098 5.735 66.645 1.00 19.19 C ATOM 442 C LEU A 44 79.698 7.123 66.700 1.00 21.91 C ATOM 443 O LEU A 44 79.081 8.102 66.266 1.00 21.47 O ATOM 444 CB LEU A 44 79.556 5.075 65.343 1.00 21.09 C ATOM 445 CG LEU A 44 79.077 3.653 65.057 1.00 19.35 C ATOM 446 CD1 LEU A 44 79.569 3.218 63.691 1.00 20.37 C ATOM 447 CD2 LEU A 44 79.541 2.677 66.135 1.00 25.46 C ATOM 448 H LEU A 44 77.123 6.360 66.012 1.00 0.00 H ATOM 449 N GLU A 45 80.921 7.195 67.212 1.00 21.90 N ATOM 450 CA GLU A 45 81.657 8.448 67.238 1.00 23.34 C ATOM 451 C GLU A 45 81.938 8.904 65.814 1.00 23.86 C ATOM 452 O GLU A 45 82.211 8.086 64.935 1.00 22.36 O ATOM 453 CB GLU A 45 82.976 8.263 67.985 1.00 26.50 C ATOM 454 CG GLU A 45 82.830 7.683 69.387 1.00 34.42 C ATOM 455 CD GLU A 45 82.673 8.744 70.460 1.00 42.01 C ATOM 456 OE1 GLU A 45 83.523 8.781 71.376 1.00 47.46 O ATOM 457 OE2 GLU A 45 81.703 9.534 70.395 1.00 45.27 O ATOM 458 H GLU A 45 81.361 6.337 67.602 1.00 0.00 H ATOM 459 N GLU A 46 81.861 10.210 65.590 1.00 19.95 N ATOM 460 CA GLU A 46 82.236 10.798 64.315 1.00 18.70 C ATOM 461 C GLU A 46 83.677 10.418 63.971 1.00 20.63 C ATOM 462 O GLU A 46 84.554 10.417 64.839 1.00 21.55 O ATOM 463 CB GLU A 46 82.091 12.317 64.400 1.00 20.79 C ATOM 464 CG GLU A 46 82.377 13.063 63.113 1.00 20.23 C ATOM 465 CD GLU A 46 82.291 14.565 63.311 1.00 27.63 C ATOM 466 OE1 GLU A 46 81.866 14.987 64.408 1.00 32.20 O ATOM 467 OE2 GLU A 46 82.648 15.316 62.381 1.00 29.31 O ATOM 468 H GLU A 46 81.522 10.832 66.351 1.00 0.00 H ATOM 469 N ILE A 47 83.912 10.056 62.714 1.00 19.06 N ATOM 470 CA ILE A 47 85.256 9.744 62.248 1.00 19.43 C ATOM 471 C ILE A 47 85.885 11.023 61.725 1.00 21.01 C ATOM 472 O ILE A 47 85.352 11.642 60.803 1.00 18.84 O ATOM 473 CB ILE A 47 85.230 8.713 61.119 1.00 19.27 C ATOM 474 CG1 ILE A 47 84.653 7.395 61.638 1.00 18.18 C ATOM 475 CG2 ILE A 47 86.632 8.509 60.554 1.00 19.84 C ATOM 476 CD1 ILE A 47 84.549 6.309 60.584 1.00 16.59 C ATOM 477 H ILE A 47 83.117 9.994 62.047 1.00 0.00 H ATOM 478 N LYS A 48 87.019 11.407 62.311 1.00 22.66 N ATOM 479 CA LYS A 48 87.710 12.644 61.947 1.00 22.20 C ATOM 480 C LYS A 48 89.149 12.398 61.494 1.00 25.88 C ATOM 481 O LYS A 48 89.834 13.325 61.060 1.00 25.79 O ATOM 482 CB LYS A 48 87.726 13.610 63.133 1.00 25.99 C ATOM 483 CG LYS A 48 86.409 14.310 63.421 1.00 27.34 C ATOM 484 CD LYS A 48 86.523 15.117 64.711 1.00 31.57 C ATOM 485 CE LYS A 48 85.496 16.235 64.780 1.00 38.77 C ATOM 486 NZ LYS A 48 86.116 17.485 65.310 1.00 42.52 N ATOM 487 HZ1 LYS A 48 86.488 17.308 66.265 1.00 0.00 H ATOM 488 HZ2 LYS A 48 86.893 17.778 64.683 1.00 0.00 H ATOM 489 HZ3 LYS A 48 85.398 18.237 65.349 1.00 0.00 H ATOM 490 H LYS A 48 87.428 10.805 63.054 1.00 0.00 H ATOM 491 N GLU A 49 89.607 11.157 61.612 1.00 21.43 N ATOM 492 CA GLU A 49 90.973 10.797 61.235 1.00 23.55 C ATOM 493 C GLU A 49 90.990 9.667 60.214 1.00 22.47 C ATOM 494 O GLU A 49 90.195 8.728 60.307 1.00 21.62 O ATOM 495 CB GLU A 49 91.757 10.346 62.464 1.00 26.89 C ATOM 496 CG GLU A 49 92.026 11.419 63.485 1.00 31.85 C ATOM 497 CD GLU A 49 92.707 10.857 64.708 1.00 38.95 C ATOM 498 OE1 GLU A 49 91.994 10.349 65.598 1.00 43.77 O ATOM 499 OE2 GLU A 49 93.953 10.904 64.772 1.00 42.39 O ATOM 500 H GLU A 49 88.975 10.419 61.984 1.00 0.00 H ATOM 501 N GLN A 50 91.905 9.742 59.253 1.00 20.94 N ATOM 502 CA GLN A 50 91.990 8.725 58.213 1.00 19.85 C ATOM 503 C GLN A 50 92.325 7.357 58.807 1.00 22.11 C ATOM 504 O GLN A 50 91.808 6.335 58.355 1.00 20.61 O ATOM 505 CB GLN A 50 93.013 9.127 57.150 1.00 22.57 C ATOM 506 CG GLN A 50 93.089 8.166 55.973 1.00 21.03 C ATOM 507 CD GLN A 50 91.782 8.078 55.202 1.00 22.92 C ATOM 508 OE1 GLN A 50 91.116 9.088 54.966 1.00 25.12 O ATOM 509 NE2 GLN A 50 91.406 6.865 54.813 1.00 21.71 N ATOM 510 HE22 GLN A 50 92.000 6.041 55.034 1.00 0.00 H ATOM 511 HE21 GLN A 50 90.518 6.740 54.287 1.00 0.00 H ATOM 512 H GLN A 50 92.572 10.540 59.243 1.00 0.00 H ATOM 513 N GLU A 51 93.172 7.348 59.835 1.00 22.25 N ATOM 514 CA GLU A 51 93.555 6.108 60.506 1.00 24.47 C ATOM 515 C GLU A 51 92.345 5.397 61.114 1.00 20.32 C ATOM 516 O GLU A 51 92.287 4.165 61.133 1.00 21.27 O ATOM 517 CB GLU A 51 94.608 6.382 61.585 1.00 25.62 C ATOM 518 CG GLU A 51 95.017 5.155 62.389 1.00 31.26 C ATOM 519 CD GLU A 51 96.251 5.401 63.236 1.00 40.65 C ATOM 520 OE1 GLU A 51 96.103 5.626 64.457 1.00 44.55 O ATOM 521 OE2 GLU A 51 97.369 5.375 62.678 1.00 42.46 O ATOM 522 H GLU A 51 93.572 8.248 60.169 1.00 0.00 H ATOM 523 N VAL A 52 91.371 6.168 61.593 1.00 19.43 N ATOM 524 CA VAL A 52 90.165 5.584 62.172 1.00 21.00 C ATOM 525 C VAL A 52 89.319 4.848 61.120 1.00 20.57 C ATOM 526 O VAL A 52 88.885 3.715 61.352 1.00 18.50 O ATOM 527 CB VAL A 52 89.334 6.632 62.941 1.00 21.20 C ATOM 528 CG1 VAL A 52 87.995 6.060 63.374 1.00 18.41 C ATOM 529 CG2 VAL A 52 90.112 7.118 64.153 1.00 22.59 C ATOM 530 H VAL A 52 91.471 7.202 61.554 1.00 0.00 H ATOM 531 N VAL A 53 89.101 5.460 59.960 1.00 17.34 N ATOM 532 CA VAL A 53 88.343 4.760 58.916 1.00 16.43 C ATOM 533 C VAL A 53 89.171 3.627 58.300 1.00 16.15 C ATOM 534 O VAL A 53 88.609 2.614 57.873 1.00 15.92 O ATOM 535 CB VAL A 53 87.765 5.710 57.827 1.00 18.36 C ATOM 536 CG1 VAL A 53 88.866 6.233 56.934 1.00 19.41 C ATOM 537 CG2 VAL A 53 86.690 5.001 57.013 1.00 21.28 C ATOM 538 H VAL A 53 89.462 6.421 59.795 1.00 0.00 H ATOM 539 N ASP A 54 90.495 3.774 58.282 1.00 16.98 N ATOM 540 CA ASP A 54 91.358 2.674 57.854 1.00 17.52 C ATOM 541 C ASP A 54 91.101 1.457 58.727 1.00 18.40 C ATOM 542 O ASP A 54 91.002 0.330 58.232 1.00 14.48 O ATOM 543 CB ASP A 54 92.841 3.043 57.948 1.00 19.58 C ATOM 544 CG ASP A 54 93.259 4.095 56.940 1.00 20.74 C ATOM 545 OD1 ASP A 54 92.499 4.367 55.987 1.00 19.78 O ATOM 546 OD2 ASP A 54 94.370 4.647 57.107 1.00 23.49 O ATOM 547 H ASP A 54 90.918 4.678 58.575 1.00 0.00 H ATOM 548 N LYS A 55 90.984 1.681 60.032 1.00 16.62 N ATOM 549 CA LYS A 55 90.790 0.569 60.959 1.00 18.83 C ATOM 550 C LYS A 55 89.418 -0.082 60.817 1.00 15.78 C ATOM 551 O LYS A 55 89.301 -1.307 60.891 1.00 17.02 O ATOM 552 CB LYS A 55 90.998 1.015 62.402 1.00 17.44 C ATOM 553 CG LYS A 55 92.449 1.209 62.773 1.00 26.06 C ATOM 554 CD LYS A 55 92.557 1.559 64.243 1.00 32.99 C ATOM 555 CE LYS A 55 93.938 2.076 64.595 1.00 34.93 C ATOM 556 NZ LYS A 55 93.921 2.767 65.915 1.00 39.03 N ATOM 557 HZ1 LYS A 55 93.261 3.570 65.876 1.00 0.00 H ATOM 558 HZ2 LYS A 55 93.614 2.099 66.651 1.00 0.00 H ATOM 559 HZ3 LYS A 55 94.877 3.113 66.136 1.00 0.00 H ATOM 560 H LYS A 55 91.031 2.654 60.395 1.00 0.00 H ATOM 561 N VAL A 56 88.379 0.728 60.620 1.00 15.44 N ATOM 562 CA VAL A 56 87.051 0.169 60.407 1.00 15.52 C ATOM 563 C VAL A 56 87.023 -0.667 59.138 1.00 13.49 C ATOM 564 O VAL A 56 86.525 -1.791 59.159 1.00 13.06 O ATOM 565 CB VAL A 56 85.957 1.246 60.356 1.00 17.57 C ATOM 566 CG1 VAL A 56 84.593 0.607 60.128 1.00 14.19 C ATOM 567 CG2 VAL A 56 85.951 2.039 61.646 1.00 18.11 C ATOM 568 H VAL A 56 88.516 1.759 60.618 1.00 0.00 H ATOM 569 N MET A 57 87.579 -0.145 58.045 1.00 14.09 N ATOM 570 CA MET A 57 87.629 -0.910 56.801 1.00 13.17 C ATOM 571 C MET A 57 88.438 -2.201 56.961 1.00 12.63 C ATOM 572 O MET A 57 88.083 -3.234 56.393 1.00 12.93 O ATOM 573 CB MET A 57 88.181 -0.071 55.637 1.00 12.60 C ATOM 574 CG MET A 57 88.086 -0.771 54.283 1.00 13.12 C ATOM 575 SD MET A 57 86.387 -1.137 53.759 1.00 13.19 S ATOM 576 CE MET A 57 85.915 0.469 53.113 1.00 12.79 C ATOM 577 H MET A 57 87.980 0.814 58.078 1.00 0.00 H ATOM 578 N GLU A 58 89.522 -2.151 57.731 1.00 14.58 N ATOM 579 CA GLU A 58 90.325 -3.353 57.935 1.00 13.24 C ATOM 580 C GLU A 58 89.474 -4.433 58.585 1.00 13.10 C ATOM 581 O GLU A 58 89.577 -5.613 58.235 1.00 13.13 O ATOM 582 CB GLU A 58 91.568 -3.053 58.782 1.00 13.79 C ATOM 583 CG GLU A 58 92.616 -4.189 58.801 1.00 14.90 C ATOM 584 CD GLU A 58 92.311 -5.328 59.783 1.00 16.79 C ATOM 585 OE1 GLU A 58 91.556 -5.141 60.761 1.00 15.59 O ATOM 586 OE2 GLU A 58 92.854 -6.434 59.585 1.00 16.51 O ATOM 587 H GLU A 58 89.797 -1.257 58.187 1.00 0.00 H ATOM 588 N THR A 59 88.625 -4.019 59.524 1.00 11.93 N ATOM 589 CA THR A 59 87.738 -4.953 60.204 1.00 12.04 C ATOM 590 C THR A 59 86.692 -5.500 59.241 1.00 13.71 C ATOM 591 O THR A 59 86.452 -6.710 59.204 1.00 14.50 O ATOM 592 CB THR A 59 87.020 -4.292 61.409 1.00 12.84 C ATOM 593 OG1 THR A 59 87.990 -3.884 62.387 1.00 16.98 O ATOM 594 CG2 THR A 59 86.034 -5.257 62.051 1.00 15.20 C ATOM 595 HG1 THR A 59 87.527 -3.463 63.154 1.00 0.00 H ATOM 596 H THR A 59 88.595 -3.011 59.776 1.00 0.00 H ATOM 597 N LEU A 60 86.075 -4.609 58.457 1.00 14.91 N ATOM 598 CA LEU A 60 84.942 -4.993 57.608 1.00 13.37 C ATOM 599 C LEU A 60 85.314 -5.714 56.317 1.00 11.95 C ATOM 600 O LEU A 60 84.495 -6.465 55.765 1.00 13.38 O ATOM 601 CB LEU A 60 84.090 -3.766 57.258 1.00 12.14 C ATOM 602 CG LEU A 60 83.485 -2.999 58.424 1.00 13.85 C ATOM 603 CD1 LEU A 60 82.565 -1.900 57.908 1.00 12.78 C ATOM 604 CD2 LEU A 60 82.729 -3.960 59.334 1.00 17.69 C ATOM 605 H LEU A 60 86.406 -3.623 58.449 1.00 0.00 H ATOM 606 N ASP A 61 86.531 -5.489 55.828 1.00 12.32 N ATOM 607 CA ASP A 61 86.924 -5.993 54.513 1.00 13.71 C ATOM 608 C ASP A 61 87.448 -7.423 54.592 1.00 15.10 C ATOM 609 O ASP A 61 88.632 -7.649 54.850 1.00 19.45 O ATOM 610 CB ASP A 61 87.969 -5.063 53.876 1.00 13.80 C ATOM 611 CG ASP A 61 88.444 -5.552 52.528 1.00 14.84 C ATOM 612 OD1 ASP A 61 87.678 -6.236 51.826 1.00 13.81 O ATOM 613 OD2 ASP A 61 89.604 -5.262 52.164 1.00 15.46 O ATOM 614 H ASP A 61 87.215 -4.945 56.391 1.00 0.00 H ATOM 615 N SER A 62 86.570 -8.388 54.353 1.00 13.02 N ATOM 616 CA SER A 62 86.933 -9.795 54.488 1.00 12.25 C ATOM 617 C SER A 62 87.560 -10.423 53.245 1.00 17.42 C ATOM 618 O SER A 62 88.092 -11.530 53.330 1.00 18.96 O ATOM 619 CB SER A 62 85.715 -10.614 54.917 1.00 14.18 C ATOM 620 OG SER A 62 85.224 -10.171 56.167 1.00 17.26 O ATOM 621 HG SER A 62 84.437 -10.715 56.423 1.00 0.00 H ATOM 622 H SER A 62 85.603 -8.137 54.064 1.00 0.00 H ATOM 623 N ASP A 63 87.491 -9.756 52.094 1.00 16.20 N ATOM 624 CA ASP A 63 88.102 -10.331 50.889 1.00 16.62 C ATOM 625 C ASP A 63 89.296 -9.539 50.362 1.00 19.05 C ATOM 626 O ASP A 63 89.772 -9.792 49.255 1.00 19.23 O ATOM 627 CB ASP A 63 87.074 -10.606 49.770 1.00 15.50 C ATOM 628 CG ASP A 63 86.431 -9.339 49.215 1.00 18.20 C ATOM 629 OD1 ASP A 63 86.709 -8.232 49.717 1.00 14.46 O ATOM 630 OD2 ASP A 63 85.631 -9.467 48.263 1.00 19.97 O ATOM 631 H ASP A 63 87.008 -8.836 52.049 1.00 0.00 H ATOM 632 N GLY A 64 89.763 -8.580 51.156 1.00 18.08 N ATOM 633 CA GLY A 64 91.018 -7.902 50.886 1.00 19.29 C ATOM 634 C GLY A 64 91.040 -6.965 49.697 1.00 20.95 C ATOM 635 O GLY A 64 92.116 -6.614 49.211 1.00 21.65 O ATOM 636 H GLY A 64 89.213 -8.308 51.995 1.00 0.00 H ATOM 637 N ASP A 65 89.873 -6.534 49.229 1.00 18.82 N ATOM 638 CA ASP A 65 89.848 -5.621 48.086 1.00 17.12 C ATOM 639 C ASP A 65 89.861 -4.144 48.489 1.00 16.10 C ATOM 640 O ASP A 65 89.862 -3.261 47.628 1.00 19.27 O ATOM 641 CB ASP A 65 88.688 -5.936 47.131 1.00 18.23 C ATOM 642 CG ASP A 65 87.323 -5.561 47.694 1.00 17.02 C ATOM 643 OD1 ASP A 65 87.204 -5.279 48.903 1.00 14.73 O ATOM 644 OD2 ASP A 65 86.353 -5.573 46.909 1.00 21.59 O ATOM 645 H ASP A 65 88.984 -6.843 49.672 1.00 0.00 H ATOM 646 N GLY A 66 89.887 -3.888 49.796 1.00 14.68 N ATOM 647 CA GLY A 66 90.003 -2.540 50.325 1.00 14.83 C ATOM 648 C GLY A 66 88.687 -1.786 50.402 1.00 14.76 C ATOM 649 O GLY A 66 88.659 -0.604 50.771 1.00 15.97 O ATOM 650 H GLY A 66 89.822 -4.683 50.463 1.00 0.00 H ATOM 651 N GLU A 67 87.605 -2.480 50.061 1.00 13.60 N ATOM 652 CA GLU A 67 86.271 -1.897 50.030 1.00 12.99 C ATOM 653 C GLU A 67 85.288 -2.789 50.766 1.00 12.46 C ATOM 654 O GLU A 67 85.568 -3.946 51.053 1.00 14.38 O ATOM 655 CB GLU A 67 85.806 -1.680 48.586 1.00 13.71 C ATOM 656 CG GLU A 67 86.765 -0.806 47.771 1.00 14.73 C ATOM 657 CD GLU A 67 86.083 -0.085 46.631 1.00 16.82 C ATOM 658 OE1 GLU A 67 84.856 0.139 46.715 1.00 15.09 O ATOM 659 OE2 GLU A 67 86.780 0.275 45.652 1.00 17.93 O ATOM 660 H GLU A 67 87.716 -3.482 49.806 1.00 0.00 H ATOM 661 N CYS A 68 84.134 -2.216 51.086 1.00 10.74 N ATOM 662 CA CYS A 68 83.080 -2.942 51.757 1.00 10.76 C ATOM 663 C CYS A 68 81.922 -3.217 50.789 1.00 11.08 C ATOM 664 O CYS A 68 81.187 -2.297 50.406 1.00 10.41 O ATOM 665 CB CYS A 68 82.601 -2.138 52.973 1.00 9.84 C ATOM 666 SG CYS A 68 81.273 -2.899 53.921 1.00 11.40 S ATOM 667 H CYS A 68 83.984 -1.215 50.847 1.00 0.00 H ATOM 668 N ASP A 69 81.760 -4.482 50.402 1.00 11.27 N ATOM 669 CA ASP A 69 80.664 -4.865 49.510 1.00 10.49 C ATOM 670 C ASP A 69 79.350 -5.068 50.284 1.00 10.40 C ATOM 671 O ASP A 69 79.301 -4.798 51.487 1.00 10.11 O ATOM 672 CB ASP A 69 81.027 -6.061 48.608 1.00 10.96 C ATOM 673 CG ASP A 69 81.227 -7.368 49.375 1.00 13.74 C ATOM 674 OD1 ASP A 69 80.771 -7.481 50.533 1.00 13.00 O ATOM 675 OD2 ASP A 69 81.807 -8.318 48.790 1.00 16.33 O ATOM 676 H ASP A 69 82.423 -5.209 50.739 1.00 0.00 H ATOM 677 N PHE A 70 78.292 -5.517 49.614 1.00 10.99 N ATOM 678 CA PHE A 70 77.011 -5.632 50.307 1.00 11.31 C ATOM 679 C PHE A 70 77.046 -6.659 51.443 1.00 11.62 C ATOM 680 O PHE A 70 76.536 -6.385 52.526 1.00 10.17 O ATOM 681 CB PHE A 70 75.860 -5.931 49.346 1.00 11.24 C ATOM 682 CG PHE A 70 74.507 -5.811 49.985 1.00 13.53 C ATOM 683 CD1 PHE A 70 73.928 -4.570 50.171 1.00 13.67 C ATOM 684 CD2 PHE A 70 73.820 -6.938 50.422 1.00 15.38 C ATOM 685 CE1 PHE A 70 72.679 -4.450 50.771 1.00 16.51 C ATOM 686 CE2 PHE A 70 72.578 -6.819 51.020 1.00 14.15 C ATOM 687 CZ PHE A 70 72.009 -5.581 51.194 1.00 16.01 C ATOM 688 H PHE A 70 78.376 -5.782 48.612 1.00 0.00 H ATOM 689 N GLN A 71 77.654 -7.816 51.190 1.00 11.66 N ATOM 690 CA GLN A 71 77.784 -8.871 52.201 1.00 12.87 C ATOM 691 C GLN A 71 78.546 -8.364 53.418 1.00 11.68 C ATOM 692 O GLN A 71 78.139 -8.574 54.572 1.00 12.06 O ATOM 693 CB GLN A 71 78.500 -10.068 51.584 1.00 13.98 C ATOM 694 CG GLN A 71 78.658 -11.273 52.473 1.00 16.23 C ATOM 695 CD GLN A 71 79.236 -12.453 51.706 1.00 20.91 C ATOM 696 OE1 GLN A 71 80.353 -12.383 51.178 1.00 24.61 O ATOM 697 NE2 GLN A 71 78.477 -13.539 51.629 1.00 30.56 N ATOM 698 HE22 GLN A 71 77.544 -13.555 52.088 1.00 0.00 H ATOM 699 HE21 GLN A 71 78.815 -14.374 51.110 1.00 0.00 H ATOM 700 H GLN A 71 78.051 -7.978 50.242 1.00 0.00 H ATOM 701 N GLU A 72 79.638 -7.656 53.160 1.00 10.16 N ATOM 702 CA GLU A 72 80.427 -7.080 54.239 1.00 10.38 C ATOM 703 C GLU A 72 79.650 -5.992 54.988 1.00 9.05 C ATOM 704 O GLU A 72 79.783 -5.832 56.208 1.00 9.78 O ATOM 705 CB GLU A 72 81.759 -6.565 53.691 1.00 7.97 C ATOM 706 CG GLU A 72 82.651 -7.695 53.153 1.00 9.87 C ATOM 707 CD GLU A 72 83.777 -7.213 52.248 1.00 10.97 C ATOM 708 OE1 GLU A 72 83.671 -6.114 51.682 1.00 11.14 O ATOM 709 OE2 GLU A 72 84.788 -7.937 52.093 1.00 11.73 O ATOM 710 H GLU A 72 79.934 -7.511 52.174 1.00 0.00 H ATOM 711 N PHE A 73 78.818 -5.252 54.269 1.00 9.19 N ATOM 712 CA PHE A 73 77.972 -4.262 54.909 1.00 10.51 C ATOM 713 C PHE A 73 76.939 -4.904 55.830 1.00 10.45 C ATOM 714 O PHE A 73 76.655 -4.389 56.914 1.00 10.58 O ATOM 715 CB PHE A 73 77.277 -3.390 53.861 1.00 10.99 C ATOM 716 CG PHE A 73 76.441 -2.296 54.455 1.00 10.27 C ATOM 717 CD1 PHE A 73 77.038 -1.257 55.164 1.00 10.47 C ATOM 718 CD2 PHE A 73 75.060 -2.307 54.315 1.00 11.13 C ATOM 719 CE1 PHE A 73 76.264 -0.250 55.721 1.00 12.21 C ATOM 720 CE2 PHE A 73 74.284 -1.296 54.877 1.00 12.22 C ATOM 721 CZ PHE A 73 74.892 -0.277 55.575 1.00 11.52 C ATOM 722 H PHE A 73 78.771 -5.382 53.238 1.00 0.00 H ATOM 723 N MET A 74 76.363 -6.016 55.392 1.00 11.46 N ATOM 724 CA MET A 74 75.465 -6.773 56.254 1.00 11.58 C ATOM 725 C MET A 74 76.131 -7.183 57.561 1.00 11.03 C ATOM 726 O MET A 74 75.517 -7.115 58.627 1.00 11.23 O ATOM 727 CB MET A 74 74.930 -8.000 55.522 1.00 16.32 C ATOM 728 CG MET A 74 74.042 -7.664 54.338 1.00 16.57 C ATOM 729 SD MET A 74 72.411 -7.092 54.832 1.00 20.12 S ATOM 730 CE MET A 74 72.630 -5.359 55.088 1.00 14.44 C ATOM 731 H MET A 74 76.554 -6.350 54.426 1.00 0.00 H ATOM 732 N ALA A 75 77.382 -7.613 57.480 1.00 10.00 N ATOM 733 CA ALA A 75 78.119 -7.953 58.687 1.00 10.50 C ATOM 734 C ALA A 75 78.331 -6.724 59.583 1.00 10.86 C ATOM 735 O ALA A 75 78.233 -6.810 60.811 1.00 11.16 O ATOM 736 CB ALA A 75 79.434 -8.613 58.332 1.00 11.23 C ATOM 737 H ALA A 75 77.838 -7.708 56.550 1.00 0.00 H ATOM 738 N PHE A 76 78.597 -5.571 58.973 1.00 10.95 N ATOM 739 CA PHE A 76 78.694 -4.319 59.718 1.00 10.15 C ATOM 740 C PHE A 76 77.368 -4.013 60.420 1.00 11.34 C ATOM 741 O PHE A 76 77.348 -3.700 61.615 1.00 11.16 O ATOM 742 CB PHE A 76 79.081 -3.191 58.752 1.00 10.68 C ATOM 743 CG PHE A 76 79.321 -1.853 59.404 1.00 11.37 C ATOM 744 CD1 PHE A 76 80.027 -1.746 60.593 1.00 14.72 C ATOM 745 CD2 PHE A 76 78.885 -0.689 58.781 1.00 14.10 C ATOM 746 CE1 PHE A 76 80.257 -0.503 61.171 1.00 13.71 C ATOM 747 CE2 PHE A 76 79.126 0.560 59.347 1.00 13.91 C ATOM 748 CZ PHE A 76 79.818 0.646 60.541 1.00 12.87 C ATOM 749 H PHE A 76 78.739 -5.562 57.943 1.00 0.00 H ATOM 750 N VAL A 77 76.261 -4.134 59.692 1.00 10.47 N ATOM 751 CA VAL A 77 74.935 -3.938 60.291 1.00 10.54 C ATOM 752 C VAL A 77 74.712 -4.867 61.486 1.00 10.29 C ATOM 753 O VAL A 77 74.219 -4.438 62.530 1.00 11.29 O ATOM 754 CB VAL A 77 73.815 -4.109 59.245 1.00 9.16 C ATOM 755 CG1 VAL A 77 72.448 -4.111 59.918 1.00 12.50 C ATOM 756 CG2 VAL A 77 73.897 -2.989 58.217 1.00 12.66 C ATOM 757 H VAL A 77 76.336 -4.371 58.682 1.00 0.00 H ATOM 758 N ALA A 78 75.085 -6.134 61.346 1.00 9.82 N ATOM 759 CA ALA A 78 74.923 -7.054 62.466 1.00 10.63 C ATOM 760 C ALA A 78 75.742 -6.603 63.680 1.00 11.67 C ATOM 761 O ALA A 78 75.258 -6.676 64.808 1.00 11.83 O ATOM 762 CB ALA A 78 75.291 -8.466 62.062 1.00 12.46 C ATOM 763 H ALA A 78 75.488 -6.467 60.447 1.00 0.00 H ATOM 764 N MET A 79 76.977 -6.146 63.455 1.00 10.73 N ATOM 765 CA MET A 79 77.814 -5.627 64.540 1.00 13.01 C ATOM 766 C MET A 79 77.136 -4.453 65.254 1.00 13.49 C ATOM 767 O MET A 79 77.031 -4.431 66.483 1.00 13.35 O ATOM 768 CB MET A 79 79.165 -5.148 63.999 1.00 14.12 C ATOM 769 CG MET A 79 80.053 -6.247 63.468 1.00 18.07 C ATOM 770 SD MET A 79 81.437 -5.559 62.526 1.00 23.81 S ATOM 771 CE MET A 79 82.080 -4.362 63.698 1.00 27.35 C ATOM 772 H MET A 79 77.354 -6.159 62.486 1.00 0.00 H ATOM 773 N ILE A 80 76.674 -3.481 64.475 1.00 11.52 N ATOM 774 CA ILE A 80 76.052 -2.283 65.022 1.00 12.39 C ATOM 775 C ILE A 80 74.781 -2.651 65.782 1.00 11.89 C ATOM 776 O ILE A 80 74.532 -2.147 66.887 1.00 13.66 O ATOM 777 CB ILE A 80 75.702 -1.288 63.903 1.00 13.97 C ATOM 778 CG1 ILE A 80 76.969 -0.777 63.224 1.00 14.87 C ATOM 779 CG2 ILE A 80 74.878 -0.131 64.434 1.00 17.18 C ATOM 780 CD1 ILE A 80 76.668 -0.184 61.868 1.00 17.62 C ATOM 781 H ILE A 80 76.759 -3.579 63.443 1.00 0.00 H ATOM 782 N THR A 81 73.985 -3.544 65.199 1.00 11.67 N ATOM 783 CA THR A 81 72.725 -3.928 65.815 1.00 13.12 C ATOM 784 C THR A 81 72.969 -4.685 67.122 1.00 13.83 C ATOM 785 O THR A 81 72.233 -4.499 68.099 1.00 14.16 O ATOM 786 CB THR A 81 71.865 -4.770 64.845 1.00 12.04 C ATOM 787 OG1 THR A 81 71.646 -4.035 63.633 1.00 11.77 O ATOM 788 CG2 THR A 81 70.518 -5.098 65.465 1.00 11.94 C ATOM 789 HG1 THR A 81 72.517 -3.832 63.209 1.00 0.00 H ATOM 790 H THR A 81 74.267 -3.972 64.294 1.00 0.00 H ATOM 791 N THR A 82 73.983 -5.544 67.136 1.00 12.38 N ATOM 792 CA THR A 82 74.323 -6.294 68.339 1.00 13.49 C ATOM 793 C THR A 82 74.778 -5.336 69.431 1.00 15.46 C ATOM 794 O THR A 82 74.413 -5.497 70.590 1.00 16.10 O ATOM 795 CB THR A 82 75.402 -7.348 68.043 1.00 15.46 C ATOM 796 OG1 THR A 82 74.882 -8.295 67.100 1.00 15.92 O ATOM 797 CG2 THR A 82 75.805 -8.100 69.312 1.00 16.70 C ATOM 798 HG1 THR A 82 74.635 -7.825 66.264 1.00 0.00 H ATOM 799 H THR A 82 74.545 -5.684 66.272 1.00 0.00 H ATOM 800 N ALA A 83 75.568 -4.334 69.055 1.00 14.46 N ATOM 801 CA ALA A 83 76.000 -3.311 70.012 1.00 15.51 C ATOM 802 C ALA A 83 74.811 -2.559 70.610 1.00 17.81 C ATOM 803 O ALA A 83 74.739 -2.367 71.827 1.00 18.52 O ATOM 804 CB ALA A 83 76.976 -2.341 69.353 1.00 15.52 C ATOM 805 H ALA A 83 75.884 -4.275 68.066 1.00 0.00 H ATOM 806 N CYS A 84 73.882 -2.146 69.750 1.00 15.09 N ATOM 807 CA CYS A 84 72.678 -1.442 70.171 1.00 14.01 C ATOM 808 C CYS A 84 71.818 -2.332 71.067 1.00 17.60 C ATOM 809 O CYS A 84 71.292 -1.892 72.091 1.00 18.20 O ATOM 810 CB CYS A 84 71.870 -1.024 68.935 1.00 15.56 C ATOM 811 SG CYS A 84 70.410 -0.021 69.265 1.00 19.68 S ATOM 812 H CYS A 84 74.022 -2.334 68.737 1.00 0.00 H ATOM 813 N HIS A 85 71.684 -3.591 70.670 1.00 16.32 N ATOM 814 CA HIS A 85 70.905 -4.568 71.423 1.00 16.83 C ATOM 815 C HIS A 85 71.398 -4.701 72.864 1.00 18.14 C ATOM 816 O HIS A 85 70.594 -4.885 73.789 1.00 19.16 O ATOM 817 CB HIS A 85 70.987 -5.929 70.730 1.00 13.83 C ATOM 818 CG HIS A 85 70.122 -6.983 71.347 1.00 15.49 C ATOM 819 ND1 HIS A 85 70.603 -8.229 71.692 1.00 15.98 N ATOM 820 CD2 HIS A 85 68.810 -6.982 71.674 1.00 17.72 C ATOM 821 CE1 HIS A 85 69.620 -8.953 72.198 1.00 16.26 C ATOM 822 NE2 HIS A 85 68.522 -8.219 72.199 1.00 15.49 N ATOM 823 H HIS A 85 72.151 -3.892 69.791 1.00 0.00 H ATOM 824 N GLU A 86 72.711 -4.619 73.039 1.00 17.36 N ATOM 825 CA GLU A 86 73.343 -4.735 74.352 1.00 21.23 C ATOM 826 C GLU A 86 73.559 -3.353 74.977 1.00 23.23 C ATOM 827 O GLU A 86 74.411 -3.177 75.847 1.00 22.00 O ATOM 828 CB GLU A 86 74.643 -5.540 74.237 1.00 22.99 C ATOM 829 CG GLU A 86 74.391 -6.943 73.672 1.00 21.74 C ATOM 830 CD GLU A 86 75.645 -7.774 73.480 1.00 27.39 C ATOM 831 OE1 GLU A 86 75.508 -8.971 73.149 1.00 31.38 O ATOM 832 OE2 GLU A 86 76.760 -7.239 73.643 1.00 33.08 O ATOM 833 H GLU A 86 73.316 -4.466 72.207 1.00 0.00 H ATOM 834 N PHE A 87 72.771 -2.383 74.514 1.00 21.85 N ATOM 835 CA PHE A 87 72.715 -1.044 75.102 1.00 23.26 C ATOM 836 C PHE A 87 74.044 -0.303 75.024 1.00 21.49 C ATOM 837 O PHE A 87 74.320 0.582 75.839 1.00 21.58 O ATOM 838 CB PHE A 87 72.210 -1.110 76.549 1.00 22.38 C ATOM 839 CG PHE A 87 70.881 -1.802 76.696 1.00 23.52 C ATOM 840 CD1 PHE A 87 70.813 -3.117 77.129 1.00 26.67 C ATOM 841 CD2 PHE A 87 69.700 -1.136 76.397 1.00 24.99 C ATOM 842 CE1 PHE A 87 69.588 -3.758 77.271 1.00 25.09 C ATOM 843 CE2 PHE A 87 68.468 -1.772 76.539 1.00 24.60 C ATOM 844 CZ PHE A 87 68.417 -3.085 76.971 1.00 22.81 C ATOM 845 H PHE A 87 72.165 -2.588 73.694 1.00 0.00 H ATOM 846 N PHE A 88 74.850 -0.669 74.030 1.00 21.59 N ATOM 847 CA PHE A 88 76.163 -0.073 73.777 1.00 23.40 C ATOM 848 C PHE A 88 77.146 -0.229 74.946 1.00 26.82 C ATOM 849 O PHE A 88 78.111 0.528 75.058 1.00 30.98 O ATOM 850 CB PHE A 88 76.023 1.398 73.364 1.00 23.02 C ATOM 851 CG PHE A 88 75.156 1.603 72.153 1.00 20.31 C ATOM 852 CD1 PHE A 88 73.821 1.955 72.291 1.00 20.06 C ATOM 853 CD2 PHE A 88 75.673 1.424 70.879 1.00 22.91 C ATOM 854 CE1 PHE A 88 73.013 2.135 71.174 1.00 20.30 C ATOM 855 CE2 PHE A 88 74.874 1.602 69.760 1.00 20.94 C ATOM 856 CZ PHE A 88 73.543 1.960 69.907 1.00 19.57 C ATOM 857 H PHE A 88 74.527 -1.425 73.394 1.00 0.00 H ATOM 858 N GLU A 89 76.911 -1.224 75.796 1.00 26.04 N ATOM 859 CA GLU A 89 77.719 -1.412 77.002 1.00 30.50 C ATOM 860 C GLU A 89 79.181 -1.748 76.701 1.00 32.96 C ATOM 861 O GLU A 89 80.069 -1.477 77.514 1.00 33.14 O ATOM 862 CB GLU A 89 77.118 -2.506 77.889 1.00 32.94 C ATOM 863 CG GLU A 89 77.773 -2.612 79.266 1.00 39.71 C ATOM 864 CD GLU A 89 77.692 -4.009 79.857 1.00 44.88 C ATOM 865 OE1 GLU A 89 78.726 -4.500 80.360 1.00 47.65 O ATOM 866 OE2 GLU A 89 76.599 -4.615 79.824 1.00 46.10 O ATOM 867 H GLU A 89 76.133 -1.886 75.599 1.00 0.00 H ATOM 868 N HIS A 90 79.430 -2.337 75.535 1.00 33.04 N ATOM 869 CA HIS A 90 80.780 -2.776 75.183 1.00 32.24 C ATOM 870 C HIS A 90 81.374 -1.961 74.036 1.00 33.92 C ATOM 871 O HIS A 90 82.444 -2.289 73.521 1.00 34.99 O ATOM 872 CB HIS A 90 80.785 -4.270 74.834 1.00 32.19 C ATOM 873 CG HIS A 90 80.297 -5.152 75.943 1.00 34.26 C ATOM 874 ND1 HIS A 90 81.060 -5.447 77.053 1.00 32.74 N ATOM 875 CD2 HIS A 90 79.120 -5.803 76.111 1.00 33.27 C ATOM 876 CE1 HIS A 90 80.374 -6.242 77.857 1.00 36.38 C ATOM 877 NE2 HIS A 90 79.195 -6.472 77.309 1.00 36.12 N ATOM 878 H HIS A 90 78.652 -2.488 74.862 1.00 0.00 H TER 879 HIS A 90 ATOM 880 N MET B 0 66.855 10.581 64.695 1.00 28.35 N ATOM 881 CA MET B 0 67.583 9.380 64.282 1.00 22.53 C ATOM 882 C MET B 0 67.491 9.176 62.764 1.00 18.90 C ATOM 883 O MET B 0 66.460 9.471 62.154 1.00 22.46 O ATOM 884 CB MET B 0 67.065 8.143 65.040 1.00 23.17 C ATOM 885 CG MET B 0 67.413 8.118 66.543 1.00 22.17 C ATOM 886 SD MET B 0 66.538 6.841 67.493 1.00 27.62 S ATOM 887 CE MET B 0 67.167 5.348 66.725 1.00 23.37 C ATOM 888 HN3 MET B 0 65.854 10.486 64.431 1.00 0.00 H ATOM 889 HN2 MET B 0 67.263 11.412 64.221 1.00 0.00 H ATOM 890 HN1 MET B 0 66.933 10.695 65.726 1.00 0.00 H ATOM 891 N SER B 1 68.575 8.689 62.155 1.00 15.77 N ATOM 892 CA SER B 1 68.594 8.403 60.719 1.00 15.41 C ATOM 893 C SER B 1 67.721 7.196 60.389 1.00 15.40 C ATOM 894 O SER B 1 67.355 6.442 61.285 1.00 13.51 O ATOM 895 CB SER B 1 70.018 8.097 60.270 1.00 16.12 C ATOM 896 OG SER B 1 70.424 6.829 60.761 1.00 14.54 O ATOM 897 HG SER B 1 71.349 6.642 60.463 1.00 0.00 H ATOM 898 H SER B 1 69.431 8.507 62.717 1.00 0.00 H ATOM 899 N GLU B 2 67.408 7.002 59.109 1.00 12.33 N ATOM 900 CA GLU B 2 66.662 5.810 58.692 1.00 12.07 C ATOM 901 C GLU B 2 67.409 4.525 59.048 1.00 12.97 C ATOM 902 O GLU B 2 66.789 3.528 59.417 1.00 13.27 O ATOM 903 CB GLU B 2 66.336 5.836 57.195 1.00 15.16 C ATOM 904 CG GLU B 2 65.295 6.872 56.806 1.00 19.89 C ATOM 905 CD GLU B 2 64.046 6.796 57.658 1.00 22.03 C ATOM 906 OE1 GLU B 2 63.391 5.732 57.692 1.00 23.49 O ATOM 907 OE2 GLU B 2 63.707 7.812 58.295 1.00 29.81 O ATOM 908 H GLU B 2 67.696 7.704 58.397 1.00 0.00 H ATOM 909 N LEU B 3 68.735 4.544 58.939 1.00 12.91 N ATOM 910 CA LEU B 3 69.530 3.370 59.292 1.00 11.01 C ATOM 911 C LEU B 3 69.434 3.084 60.785 1.00 12.33 C ATOM 912 O LEU B 3 69.236 1.934 61.195 1.00 11.48 O ATOM 913 CB LEU B 3 70.995 3.562 58.870 1.00 11.54 C ATOM 914 CG LEU B 3 71.977 2.455 59.277 1.00 10.28 C ATOM 915 CD1 LEU B 3 71.483 1.081 58.820 1.00 10.94 C ATOM 916 CD2 LEU B 3 73.381 2.719 58.734 1.00 11.93 C ATOM 917 H LEU B 3 69.211 5.404 58.599 1.00 0.00 H ATOM 918 N GLU B 4 69.558 4.122 61.605 1.00 13.98 N ATOM 919 CA GLU B 4 69.481 3.935 63.047 1.00 11.88 C ATOM 920 C GLU B 4 68.099 3.414 63.450 1.00 13.07 C ATOM 921 O GLU B 4 67.988 2.517 64.287 1.00 12.54 O ATOM 922 CB GLU B 4 69.847 5.229 63.783 1.00 12.07 C ATOM 923 CG GLU B 4 71.310 5.609 63.630 1.00 14.43 C ATOM 924 CD GLU B 4 71.615 7.008 64.120 1.00 17.74 C ATOM 925 OE1 GLU B 4 70.702 7.864 64.087 1.00 17.52 O ATOM 926 OE2 GLU B 4 72.777 7.247 64.523 1.00 16.39 O ATOM 927 H GLU B 4 69.711 5.074 61.215 1.00 0.00 H ATOM 928 N LYS B 5 67.055 3.942 62.823 1.00 12.71 N ATOM 929 CA LYS B 5 65.698 3.455 63.073 1.00 12.21 C ATOM 930 C LYS B 5 65.533 2.007 62.636 1.00 13.12 C ATOM 931 O LYS B 5 64.856 1.225 63.306 1.00 12.83 O ATOM 932 CB LYS B 5 64.672 4.343 62.380 1.00 14.23 C ATOM 933 CG LYS B 5 64.563 5.699 63.053 1.00 18.25 C ATOM 934 CD LYS B 5 63.399 6.510 62.523 1.00 21.86 C ATOM 935 CE LYS B 5 63.801 7.309 61.312 1.00 26.90 C ATOM 936 NZ LYS B 5 62.724 8.287 60.944 1.00 28.98 N ATOM 937 HZ1 LYS B 5 61.846 7.771 60.732 1.00 0.00 H ATOM 938 HZ2 LYS B 5 62.562 8.937 61.739 1.00 0.00 H ATOM 939 HZ3 LYS B 5 63.020 8.828 60.107 1.00 0.00 H ATOM 940 H LYS B 5 67.204 4.715 62.143 1.00 0.00 H ATOM 941 N ALA B 6 66.167 1.642 61.523 1.00 11.31 N ATOM 942 CA ALA B 6 66.087 0.275 61.014 1.00 10.29 C ATOM 943 C ALA B 6 66.727 -0.711 61.989 1.00 10.05 C ATOM 944 O ALA B 6 66.181 -1.794 62.246 1.00 9.25 O ATOM 945 CB ALA B 6 66.760 0.185 59.648 1.00 10.99 C ATOM 946 H ALA B 6 66.731 2.345 61.005 1.00 0.00 H ATOM 947 N VAL B 7 67.884 -0.343 62.526 1.00 8.77 N ATOM 948 CA VAL B 7 68.576 -1.150 63.526 1.00 10.53 C ATOM 949 C VAL B 7 67.666 -1.405 64.725 1.00 9.91 C ATOM 950 O VAL B 7 67.510 -2.544 65.173 1.00 10.27 O ATOM 951 CB VAL B 7 69.869 -0.435 63.978 1.00 9.95 C ATOM 952 CG1 VAL B 7 70.431 -1.059 65.245 1.00 11.32 C ATOM 953 CG2 VAL B 7 70.896 -0.450 62.846 1.00 13.24 C ATOM 954 H VAL B 7 68.314 0.554 62.223 1.00 0.00 H ATOM 955 N VAL B 8 67.031 -0.350 65.213 1.00 12.92 N ATOM 956 CA VAL B 8 66.116 -0.503 66.340 1.00 11.62 C ATOM 957 C VAL B 8 64.925 -1.392 65.987 1.00 12.50 C ATOM 958 O VAL B 8 64.513 -2.215 66.809 1.00 12.71 O ATOM 959 CB VAL B 8 65.657 0.871 66.861 1.00 13.38 C ATOM 960 CG1 VAL B 8 64.528 0.714 67.864 1.00 16.07 C ATOM 961 CG2 VAL B 8 66.841 1.607 67.486 1.00 17.30 C ATOM 962 H VAL B 8 67.185 0.589 64.793 1.00 0.00 H ATOM 963 N ALA B 9 64.399 -1.259 64.766 1.00 11.44 N ATOM 964 CA ALA B 9 63.281 -2.096 64.319 1.00 9.94 C ATOM 965 C ALA B 9 63.641 -3.581 64.340 1.00 9.98 C ATOM 966 O ALA B 9 62.788 -4.423 64.642 1.00 10.61 O ATOM 967 CB ALA B 9 62.819 -1.685 62.937 1.00 10.33 C ATOM 968 H ALA B 9 64.791 -0.546 64.118 1.00 0.00 H ATOM 969 N LEU B 10 64.878 -3.910 63.983 1.00 10.86 N ATOM 970 CA LEU B 10 65.312 -5.312 64.002 1.00 10.50 C ATOM 971 C LEU B 10 65.271 -5.873 65.422 1.00 10.89 C ATOM 972 O LEU B 10 64.795 -6.994 65.655 1.00 10.48 O ATOM 973 CB LEU B 10 66.727 -5.453 63.429 1.00 10.25 C ATOM 974 CG LEU B 10 66.947 -4.999 61.986 1.00 9.58 C ATOM 975 CD1 LEU B 10 68.398 -5.272 61.584 1.00 10.16 C ATOM 976 CD2 LEU B 10 66.004 -5.696 61.029 1.00 10.38 C ATOM 977 H LEU B 10 65.544 -3.168 63.688 1.00 0.00 H ATOM 978 N ILE B 11 65.766 -5.090 66.374 1.00 10.67 N ATOM 979 CA ILE B 11 65.724 -5.466 67.779 1.00 10.59 C ATOM 980 C ILE B 11 64.284 -5.574 68.275 1.00 12.02 C ATOM 981 O ILE B 11 63.919 -6.541 68.963 1.00 13.07 O ATOM 982 CB ILE B 11 66.467 -4.416 68.611 1.00 11.52 C ATOM 983 CG1 ILE B 11 67.946 -4.431 68.231 1.00 10.58 C ATOM 984 CG2 ILE B 11 66.274 -4.666 70.108 1.00 13.51 C ATOM 985 CD1 ILE B 11 68.688 -3.166 68.633 1.00 11.36 C ATOM 986 H ILE B 11 66.196 -4.181 66.107 1.00 0.00 H ATOM 987 N ASP B 12 63.463 -4.595 67.922 1.00 12.55 N ATOM 988 CA ASP B 12 62.081 -4.581 68.380 1.00 12.00 C ATOM 989 C ASP B 12 61.307 -5.809 67.906 1.00 13.67 C ATOM 990 O ASP B 12 60.594 -6.441 68.695 1.00 12.97 O ATOM 991 CB ASP B 12 61.366 -3.309 67.918 1.00 13.36 C ATOM 992 CG ASP B 12 61.840 -2.054 68.653 1.00 17.05 C ATOM 993 OD1 ASP B 12 62.471 -2.157 69.728 1.00 20.72 O ATOM 994 OD2 ASP B 12 61.558 -0.958 68.138 1.00 24.41 O ATOM 995 H ASP B 12 63.810 -3.828 67.311 1.00 0.00 H ATOM 996 N VAL B 13 61.453 -6.165 66.630 1.00 10.46 N ATOM 997 CA VAL B 13 60.675 -7.297 66.108 1.00 11.15 C ATOM 998 C VAL B 13 61.125 -8.623 66.724 1.00 11.61 C ATOM 999 O VAL B 13 60.291 -9.491 66.996 1.00 10.89 O ATOM 1000 CB VAL B 13 60.656 -7.372 64.547 1.00 9.39 C ATOM 1001 CG1 VAL B 13 62.006 -7.817 63.992 1.00 11.13 C ATOM 1002 CG2 VAL B 13 59.541 -8.307 64.052 1.00 10.63 C ATOM 1003 H VAL B 13 62.110 -5.648 66.011 1.00 0.00 H ATOM 1004 N PHE B 14 62.426 -8.782 66.960 1.00 10.93 N ATOM 1005 CA PHE B 14 62.918 -9.979 67.635 1.00 11.52 C ATOM 1006 C PHE B 14 62.241 -10.160 68.989 1.00 11.68 C ATOM 1007 O PHE B 14 61.708 -11.230 69.284 1.00 12.07 O ATOM 1008 CB PHE B 14 64.437 -9.929 67.825 1.00 10.01 C ATOM 1009 CG PHE B 14 65.007 -11.162 68.506 1.00 10.21 C ATOM 1010 CD1 PHE B 14 65.220 -12.329 67.786 1.00 10.69 C ATOM 1011 CD2 PHE B 14 65.308 -11.152 69.864 1.00 11.80 C ATOM 1012 CE1 PHE B 14 65.748 -13.463 68.404 1.00 11.55 C ATOM 1013 CE2 PHE B 14 65.829 -12.287 70.493 1.00 12.47 C ATOM 1014 CZ PHE B 14 66.047 -13.445 69.755 1.00 12.62 C ATOM 1015 H PHE B 14 63.098 -8.047 66.661 1.00 0.00 H ATOM 1016 N HIS B 15 62.242 -9.104 69.797 1.00 13.88 N ATOM 1017 CA HIS B 15 61.706 -9.210 71.154 1.00 14.70 C ATOM 1018 C HIS B 15 60.190 -9.215 71.219 1.00 15.33 C ATOM 1019 O HIS B 15 59.622 -9.619 72.231 1.00 19.21 O ATOM 1020 CB HIS B 15 62.296 -8.133 72.047 1.00 16.68 C ATOM 1021 CG HIS B 15 63.691 -8.436 72.471 1.00 14.67 C ATOM 1022 ND1 HIS B 15 63.978 -9.320 73.487 1.00 18.10 N ATOM 1023 CD2 HIS B 15 64.883 -8.002 71.999 1.00 15.75 C ATOM 1024 CE1 HIS B 15 65.287 -9.409 73.630 1.00 17.95 C ATOM 1025 NE2 HIS B 15 65.858 -8.618 72.739 1.00 17.94 N ATOM 1026 H HIS B 15 62.626 -8.197 69.462 1.00 0.00 H ATOM 1027 N GLN B 16 59.542 -8.783 70.148 1.00 12.39 N ATOM 1028 CA GLN B 16 58.092 -8.890 70.055 1.00 12.62 C ATOM 1029 C GLN B 16 57.651 -10.344 69.910 1.00 11.83 C ATOM 1030 O GLN B 16 56.505 -10.685 70.231 1.00 14.47 O ATOM 1031 CB GLN B 16 57.584 -8.041 68.901 1.00 12.48 C ATOM 1032 CG GLN B 16 57.548 -6.565 69.261 1.00 15.53 C ATOM 1033 CD GLN B 16 57.492 -5.668 68.048 1.00 18.38 C ATOM 1034 OE1 GLN B 16 57.238 -6.127 66.934 1.00 19.04 O ATOM 1035 NE2 GLN B 16 57.724 -4.373 68.258 1.00 16.09 N ATOM 1036 HE22 GLN B 16 57.935 -4.031 69.217 1.00 0.00 H ATOM 1037 HE21 GLN B 16 57.695 -3.704 67.463 1.00 0.00 H ATOM 1038 H GLN B 16 60.076 -8.361 69.362 1.00 0.00 H ATOM 1039 N TYR B 17 58.564 -11.201 69.459 1.00 12.39 N ATOM 1040 CA TYR B 17 58.246 -12.622 69.314 1.00 12.77 C ATOM 1041 C TYR B 17 58.974 -13.541 70.290 1.00 14.01 C ATOM 1042 O TYR B 17 58.394 -14.523 70.748 1.00 15.37 O ATOM 1043 CB TYR B 17 58.412 -13.071 67.852 1.00 11.06 C ATOM 1044 CG TYR B 17 57.324 -12.477 67.006 1.00 12.76 C ATOM 1045 CD1 TYR B 17 57.457 -11.210 66.450 1.00 12.65 C ATOM 1046 CD2 TYR B 17 56.125 -13.149 66.819 1.00 14.44 C ATOM 1047 CE1 TYR B 17 56.447 -10.642 65.707 1.00 14.16 C ATOM 1048 CE2 TYR B 17 55.101 -12.591 66.076 1.00 15.36 C ATOM 1049 CZ TYR B 17 55.264 -11.334 65.517 1.00 14.31 C ATOM 1050 OH TYR B 17 54.253 -10.774 64.776 1.00 16.56 O ATOM 1051 HH TYR B 17 54.536 -9.881 64.455 1.00 0.00 H ATOM 1052 H TYR B 17 59.513 -10.857 69.207 1.00 0.00 H ATOM 1053 N SER B 18 60.223 -13.222 70.620 1.00 14.06 N ATOM 1054 CA SER B 18 61.049 -14.090 71.468 1.00 12.63 C ATOM 1055 C SER B 18 60.529 -14.197 72.897 1.00 15.81 C ATOM 1056 O SER B 18 60.771 -15.195 73.581 1.00 14.15 O ATOM 1057 CB SER B 18 62.504 -13.615 71.484 1.00 14.10 C ATOM 1058 OG SER B 18 62.630 -12.364 72.149 1.00 14.90 O ATOM 1059 HG SER B 18 62.317 -12.455 73.084 1.00 0.00 H ATOM 1060 H SER B 18 60.626 -12.331 70.266 1.00 0.00 H ATOM 1061 N GLY B 19 59.810 -13.170 73.341 1.00 16.47 N ATOM 1062 CA GLY B 19 59.359 -13.123 74.722 1.00 17.71 C ATOM 1063 C GLY B 19 58.054 -13.839 75.020 1.00 19.23 C ATOM 1064 O GLY B 19 57.680 -13.975 76.189 1.00 20.84 O ATOM 1065 H GLY B 19 59.568 -12.393 72.694 1.00 0.00 H ATOM 1066 N ARG B 20 57.368 -14.303 73.981 1.00 16.08 N ATOM 1067 CA ARG B 20 56.025 -14.876 74.121 1.00 14.87 C ATOM 1068 C ARG B 20 56.011 -16.202 74.861 1.00 17.29 C ATOM 1069 O ARG B 20 55.094 -16.473 75.641 1.00 20.40 O ATOM 1070 CB ARG B 20 55.392 -15.067 72.745 1.00 16.51 C ATOM 1071 CG ARG B 20 55.202 -13.758 72.017 1.00 16.79 C ATOM 1072 CD ARG B 20 54.718 -13.914 70.608 1.00 20.27 C ATOM 1073 NE ARG B 20 54.354 -12.598 70.096 1.00 22.04 N ATOM 1074 CZ ARG B 20 53.313 -12.346 69.314 1.00 24.87 C ATOM 1075 NH1 ARG B 20 52.519 -13.329 68.915 1.00 28.68 N ATOM 1076 NH2 ARG B 20 53.071 -11.106 68.924 1.00 27.22 N ATOM 1077 HE ARG B 20 54.958 -11.795 70.365 1.00 0.00 H ATOM 1078 HH12 ARG B 20 51.705 -13.123 68.302 1.00 0.00 H ATOM 1079 HH11 ARG B 20 52.710 -14.306 69.215 1.00 0.00 H ATOM 1080 HH22 ARG B 20 52.256 -10.903 68.311 1.00 0.00 H ATOM 1081 HH21 ARG B 20 53.696 -10.333 69.231 1.00 0.00 H ATOM 1082 H ARG B 20 57.798 -14.258 73.035 1.00 0.00 H ATOM 1083 N GLU B 21 57.025 -17.020 74.603 1.00 16.03 N ATOM 1084 CA GLU B 21 57.102 -18.367 75.155 1.00 16.36 C ATOM 1085 C GLU B 21 58.505 -18.704 75.624 1.00 17.92 C ATOM 1086 O GLU B 21 59.493 -18.277 75.012 1.00 13.69 O ATOM 1087 CB GLU B 21 56.751 -19.391 74.082 1.00 13.88 C ATOM 1088 CG GLU B 21 55.447 -19.189 73.373 1.00 15.43 C ATOM 1089 CD GLU B 21 55.248 -20.253 72.328 1.00 16.64 C ATOM 1090 OE1 GLU B 21 55.068 -21.437 72.703 1.00 20.17 O ATOM 1091 OE2 GLU B 21 55.313 -19.923 71.130 1.00 14.49 O ATOM 1092 H GLU B 21 57.792 -16.687 73.985 1.00 0.00 H ATOM 1093 N GLY B 22 58.580 -19.515 76.678 1.00 15.97 N ATOM 1094 CA GLY B 22 59.825 -20.128 77.114 1.00 15.61 C ATOM 1095 C GLY B 22 60.929 -19.125 77.364 1.00 14.65 C ATOM 1096 O GLY B 22 60.702 -18.078 77.981 1.00 17.44 O ATOM 1097 H GLY B 22 57.711 -19.719 77.212 1.00 0.00 H ATOM 1098 N ASP B 23 62.118 -19.452 76.868 1.00 16.80 N ATOM 1099 CA ASP B 23 63.246 -18.538 76.897 1.00 17.86 C ATOM 1100 C ASP B 23 62.854 -17.199 76.267 1.00 14.65 C ATOM 1101 O ASP B 23 62.496 -17.136 75.088 1.00 14.85 O ATOM 1102 CB ASP B 23 64.405 -19.170 76.130 1.00 17.47 C ATOM 1103 CG ASP B 23 65.713 -18.457 76.358 1.00 16.11 C ATOM 1104 OD1 ASP B 23 65.718 -17.209 76.416 1.00 18.66 O ATOM 1105 OD2 ASP B 23 66.747 -19.143 76.466 1.00 22.91 O ATOM 1106 H ASP B 23 62.245 -20.394 76.445 1.00 0.00 H ATOM 1107 N LYS B 24 62.929 -16.124 77.047 1.00 18.24 N ATOM 1108 CA LYS B 24 62.515 -14.812 76.558 1.00 16.30 C ATOM 1109 C LYS B 24 63.523 -14.213 75.579 1.00 15.50 C ATOM 1110 O LYS B 24 63.223 -13.239 74.893 1.00 15.78 O ATOM 1111 CB LYS B 24 62.257 -13.849 77.725 1.00 20.20 C ATOM 1112 CG LYS B 24 61.220 -14.352 78.715 1.00 26.23 C ATOM 1113 CD LYS B 24 61.227 -13.500 79.977 1.00 31.16 C ATOM 1114 CE LYS B 24 60.539 -14.218 81.138 1.00 37.26 C ATOM 1115 NZ LYS B 24 60.865 -13.595 82.462 1.00 38.29 N ATOM 1116 HZ1 LYS B 24 61.892 -13.636 82.619 1.00 0.00 H ATOM 1117 HZ2 LYS B 24 60.552 -12.603 82.464 1.00 0.00 H ATOM 1118 HZ3 LYS B 24 60.376 -14.115 83.218 1.00 0.00 H ATOM 1119 H LYS B 24 63.287 -16.219 78.019 1.00 0.00 H ATOM 1120 N HIS B 25 64.707 -14.815 75.504 1.00 15.50 N ATOM 1121 CA HIS B 25 65.787 -14.293 74.671 1.00 17.65 C ATOM 1122 C HIS B 25 65.987 -15.060 73.364 1.00 15.71 C ATOM 1123 O HIS B 25 66.909 -14.760 72.609 1.00 14.52 O ATOM 1124 CB HIS B 25 67.089 -14.287 75.465 1.00 18.67 C ATOM 1125 CG HIS B 25 66.988 -13.550 76.761 1.00 23.82 C ATOM 1126 ND1 HIS B 25 66.818 -12.184 76.826 1.00 27.71 N ATOM 1127 CD2 HIS B 25 67.015 -13.989 78.042 1.00 27.11 C ATOM 1128 CE1 HIS B 25 66.752 -11.812 78.093 1.00 29.42 C ATOM 1129 NE2 HIS B 25 66.875 -12.887 78.850 1.00 31.88 N ATOM 1130 H HIS B 25 64.868 -15.682 76.055 1.00 0.00 H ATOM 1131 N LYS B 26 65.145 -16.057 73.112 1.00 12.71 N ATOM 1132 CA LYS B 26 65.269 -16.874 71.913 1.00 12.48 C ATOM 1133 C LYS B 26 63.911 -17.115 71.278 1.00 10.83 C ATOM 1134 O LYS B 26 62.884 -17.127 71.965 1.00 12.17 O ATOM 1135 CB LYS B 26 65.924 -18.221 72.245 1.00 12.45 C ATOM 1136 CG LYS B 26 67.282 -18.150 72.927 1.00 13.36 C ATOM 1137 CD LYS B 26 67.823 -19.548 73.212 1.00 14.54 C ATOM 1138 CE LYS B 26 69.135 -19.481 73.968 1.00 19.21 C ATOM 1139 NZ LYS B 26 69.604 -20.847 74.364 1.00 25.21 N ATOM 1140 HZ1 LYS B 26 68.891 -21.293 74.976 1.00 0.00 H ATOM 1141 HZ2 LYS B 26 69.742 -21.426 73.511 1.00 0.00 H ATOM 1142 HZ3 LYS B 26 70.504 -20.767 74.879 1.00 0.00 H ATOM 1143 H LYS B 26 64.380 -16.258 73.787 1.00 0.00 H ATOM 1144 N LEU B 27 63.910 -17.304 69.960 1.00 11.20 N ATOM 1145 CA LEU B 27 62.723 -17.727 69.236 1.00 10.71 C ATOM 1146 C LEU B 27 62.688 -19.250 69.133 1.00 11.11 C ATOM 1147 O LEU B 27 63.565 -19.858 68.511 1.00 12.44 O ATOM 1148 CB LEU B 27 62.723 -17.154 67.820 1.00 12.33 C ATOM 1149 CG LEU B 27 62.769 -15.643 67.629 1.00 11.44 C ATOM 1150 CD1 LEU B 27 63.206 -15.334 66.189 1.00 11.61 C ATOM 1151 CD2 LEU B 27 61.404 -15.037 67.921 1.00 13.02 C ATOM 1152 H LEU B 27 64.790 -17.143 69.430 1.00 0.00 H ATOM 1153 N LYS B 28 61.679 -19.873 69.737 1.00 11.17 N ATOM 1154 CA LYS B 28 61.446 -21.290 69.463 1.00 11.02 C ATOM 1155 C LYS B 28 60.672 -21.373 68.148 1.00 11.30 C ATOM 1156 O LYS B 28 60.236 -20.348 67.626 1.00 12.51 O ATOM 1157 CB LYS B 28 60.701 -21.974 70.614 1.00 12.45 C ATOM 1158 CG LYS B 28 59.352 -21.369 70.938 1.00 13.34 C ATOM 1159 CD LYS B 28 58.824 -21.885 72.284 1.00 15.92 C ATOM 1160 CE LYS B 28 58.490 -23.358 72.239 1.00 14.89 C ATOM 1161 NZ LYS B 28 57.092 -23.643 71.806 1.00 14.64 N ATOM 1162 HZ1 LYS B 28 56.427 -23.194 72.468 1.00 0.00 H ATOM 1163 HZ2 LYS B 28 56.942 -23.262 70.850 1.00 0.00 H ATOM 1164 HZ3 LYS B 28 56.935 -24.671 71.799 1.00 0.00 H ATOM 1165 H LYS B 28 61.063 -19.357 70.397 1.00 0.00 H ATOM 1166 N LYS B 29 60.514 -22.574 67.606 1.00 12.07 N ATOM 1167 CA LYS B 29 59.894 -22.740 66.291 1.00 10.09 C ATOM 1168 C LYS B 29 58.513 -22.094 66.184 1.00 12.65 C ATOM 1169 O LYS B 29 58.190 -21.474 65.172 1.00 10.61 O ATOM 1170 CB LYS B 29 59.825 -24.222 65.903 1.00 11.24 C ATOM 1171 CG LYS B 29 61.166 -24.793 65.439 1.00 12.32 C ATOM 1172 CD LYS B 29 61.021 -26.243 64.990 1.00 16.03 C ATOM 1173 CE LYS B 29 60.579 -27.126 66.147 1.00 18.42 C ATOM 1174 NZ LYS B 29 61.629 -27.267 67.188 1.00 24.31 N ATOM 1175 HZ1 LYS B 29 62.479 -27.693 66.766 1.00 0.00 H ATOM 1176 HZ2 LYS B 29 61.863 -26.329 67.571 1.00 0.00 H ATOM 1177 HZ3 LYS B 29 61.277 -27.878 67.953 1.00 0.00 H ATOM 1178 H LYS B 29 60.837 -23.414 68.126 1.00 0.00 H ATOM 1179 N SER B 30 57.703 -22.219 67.231 1.00 11.69 N ATOM 1180 CA SER B 30 56.374 -21.616 67.201 1.00 12.00 C ATOM 1181 C SER B 30 56.422 -20.092 67.078 1.00 12.73 C ATOM 1182 O SER B 30 55.636 -19.515 66.332 1.00 13.81 O ATOM 1183 CB SER B 30 55.538 -22.052 68.410 1.00 12.63 C ATOM 1184 OG SER B 30 56.229 -21.881 69.635 1.00 13.13 O ATOM 1185 HG SER B 30 56.460 -20.925 69.751 1.00 0.00 H ATOM 1186 H SER B 30 58.016 -22.746 68.071 1.00 0.00 H ATOM 1187 N GLU B 31 57.360 -19.463 67.785 1.00 11.60 N ATOM 1188 CA GLU B 31 57.559 -18.014 67.719 1.00 12.10 C ATOM 1189 C GLU B 31 58.096 -17.588 66.355 1.00 11.28 C ATOM 1190 O GLU B 31 57.639 -16.606 65.766 1.00 12.23 O ATOM 1191 CB GLU B 31 58.511 -17.576 68.829 1.00 13.17 C ATOM 1192 CG GLU B 31 57.945 -17.795 70.228 1.00 11.61 C ATOM 1193 CD GLU B 31 58.977 -17.589 71.304 1.00 14.33 C ATOM 1194 OE1 GLU B 31 60.158 -17.933 71.079 1.00 12.82 O ATOM 1195 OE2 GLU B 31 58.623 -17.089 72.391 1.00 13.06 O ATOM 1196 H GLU B 31 57.975 -20.024 68.409 1.00 0.00 H ATOM 1197 N LEU B 32 59.062 -18.346 65.852 1.00 10.81 N ATOM 1198 CA LEU B 32 59.625 -18.079 64.531 1.00 11.64 C ATOM 1199 C LEU B 32 58.571 -18.162 63.429 1.00 12.53 C ATOM 1200 O LEU B 32 58.538 -17.333 62.520 1.00 11.80 O ATOM 1201 CB LEU B 32 60.777 -19.047 64.251 1.00 12.61 C ATOM 1202 CG LEU B 32 61.416 -18.940 62.864 1.00 11.26 C ATOM 1203 CD1 LEU B 32 62.129 -17.609 62.727 1.00 12.13 C ATOM 1204 CD2 LEU B 32 62.395 -20.089 62.660 1.00 11.32 C ATOM 1205 H LEU B 32 59.425 -19.146 66.409 1.00 0.00 H ATOM 1206 N LYS B 33 57.699 -19.161 63.517 1.00 10.48 N ATOM 1207 CA LYS B 33 56.600 -19.273 62.567 1.00 11.50 C ATOM 1208 C LYS B 33 55.695 -18.032 62.590 1.00 12.37 C ATOM 1209 O LYS B 33 55.321 -17.504 61.533 1.00 12.73 O ATOM 1210 CB LYS B 33 55.771 -20.531 62.861 1.00 12.71 C ATOM 1211 CG LYS B 33 54.517 -20.657 61.999 1.00 15.31 C ATOM 1212 CD LYS B 33 53.762 -21.953 62.298 1.00 16.44 C ATOM 1213 CE LYS B 33 52.434 -22.004 61.556 1.00 19.88 C ATOM 1214 NZ LYS B 33 51.610 -23.176 61.995 1.00 22.23 N ATOM 1215 HZ1 LYS B 33 52.131 -24.056 61.803 1.00 0.00 H ATOM 1216 HZ2 LYS B 33 51.418 -23.101 63.014 1.00 0.00 H ATOM 1217 HZ3 LYS B 33 50.712 -23.182 61.471 1.00 0.00 H ATOM 1218 H LYS B 33 57.802 -19.870 64.271 1.00 0.00 H ATOM 1219 N GLU B 34 55.354 -17.572 63.791 1.00 12.29 N ATOM 1220 CA GLU B 34 54.528 -16.382 63.944 1.00 13.90 C ATOM 1221 C GLU B 34 55.206 -15.147 63.347 1.00 13.91 C ATOM 1222 O GLU B 34 54.582 -14.358 62.633 1.00 12.53 O ATOM 1223 CB GLU B 34 54.200 -16.155 65.419 1.00 13.01 C ATOM 1224 CG GLU B 34 53.268 -17.217 66.011 1.00 16.53 C ATOM 1225 CD GLU B 34 52.045 -17.443 65.157 1.00 23.62 C ATOM 1226 OE1 GLU B 34 51.214 -16.515 65.052 1.00 28.18 O ATOM 1227 OE2 GLU B 34 51.916 -18.547 64.582 1.00 27.68 O ATOM 1228 H GLU B 34 55.685 -18.074 64.640 1.00 0.00 H ATOM 1229 N LEU B 35 56.490 -14.979 63.633 1.00 11.97 N ATOM 1230 CA LEU B 35 57.221 -13.827 63.121 1.00 11.67 C ATOM 1231 C LEU B 35 57.222 -13.818 61.593 1.00 12.49 C ATOM 1232 O LEU B 35 56.971 -12.787 60.969 1.00 12.00 O ATOM 1233 CB LEU B 35 58.653 -13.848 63.661 1.00 9.57 C ATOM 1234 CG LEU B 35 59.593 -12.674 63.325 1.00 11.80 C ATOM 1235 CD1 LEU B 35 60.669 -12.528 64.392 1.00 13.24 C ATOM 1236 CD2 LEU B 35 60.241 -12.836 61.935 1.00 11.59 C ATOM 1237 H LEU B 35 56.980 -15.676 64.229 1.00 0.00 H ATOM 1238 N ILE B 36 57.554 -14.957 60.993 1.00 11.14 N ATOM 1239 CA ILE B 36 57.586 -15.074 59.541 1.00 11.76 C ATOM 1240 C ILE B 36 56.204 -14.802 58.913 1.00 12.06 C ATOM 1241 O ILE B 36 56.084 -14.020 57.960 1.00 12.94 O ATOM 1242 CB ILE B 36 58.141 -16.466 59.106 1.00 10.37 C ATOM 1243 CG1 ILE B 36 59.648 -16.556 59.404 1.00 12.81 C ATOM 1244 CG2 ILE B 36 57.837 -16.735 57.640 1.00 11.77 C ATOM 1245 CD1 ILE B 36 60.231 -17.958 59.255 1.00 11.30 C ATOM 1246 H ILE B 36 57.797 -15.785 61.574 1.00 0.00 H ATOM 1247 N ASN B 37 55.159 -15.420 59.459 1.00 12.79 N ATOM 1248 CA ASN B 37 53.809 -15.253 58.923 1.00 16.16 C ATOM 1249 C ASN B 37 53.237 -13.853 59.133 1.00 15.48 C ATOM 1250 O ASN B 37 52.486 -13.363 58.294 1.00 16.79 O ATOM 1251 CB ASN B 37 52.865 -16.316 59.501 1.00 15.95 C ATOM 1252 CG ASN B 37 53.140 -17.692 58.950 1.00 15.91 C ATOM 1253 OD1 ASN B 37 53.921 -17.850 58.008 1.00 16.16 O ATOM 1254 ND2 ASN B 37 52.498 -18.707 59.536 1.00 16.37 N ATOM 1255 HD22 ASN B 37 51.849 -18.524 60.328 1.00 0.00 H ATOM 1256 HD21 ASN B 37 52.648 -19.680 59.200 1.00 0.00 H ATOM 1257 H ASN B 37 55.306 -16.035 60.285 1.00 0.00 H ATOM 1258 N ASN B 38 53.602 -13.205 60.236 1.00 12.69 N ATOM 1259 CA ASN B 38 53.041 -11.890 60.556 1.00 14.66 C ATOM 1260 C ASN B 38 53.860 -10.716 60.048 1.00 14.44 C ATOM 1261 O ASN B 38 53.309 -9.660 59.751 1.00 16.69 O ATOM 1262 CB ASN B 38 52.882 -11.717 62.062 1.00 16.88 C ATOM 1263 CG ASN B 38 51.811 -12.595 62.645 1.00 20.08 C ATOM 1264 OD1 ASN B 38 51.021 -13.201 61.919 1.00 22.64 O ATOM 1265 ND2 ASN B 38 51.772 -12.662 63.969 1.00 23.98 N ATOM 1266 HD22 ASN B 38 52.462 -12.131 64.537 1.00 0.00 H ATOM 1267 HD21 ASN B 38 51.051 -13.246 64.439 1.00 0.00 H ATOM 1268 H ASN B 38 54.295 -13.638 60.880 1.00 0.00 H ATOM 1269 N GLU B 39 55.177 -10.889 59.978 1.00 11.92 N ATOM 1270 CA GLU B 39 56.064 -9.756 59.712 1.00 14.00 C ATOM 1271 C GLU B 39 56.831 -9.862 58.404 1.00 12.22 C ATOM 1272 O GLU B 39 57.495 -8.898 57.996 1.00 13.90 O ATOM 1273 CB GLU B 39 57.058 -9.570 60.864 1.00 13.41 C ATOM 1274 CG GLU B 39 56.447 -9.621 62.270 1.00 12.80 C ATOM 1275 CD GLU B 39 55.435 -8.510 62.541 1.00 15.61 C ATOM 1276 OE1 GLU B 39 55.394 -7.500 61.795 1.00 14.47 O ATOM 1277 OE2 GLU B 39 54.671 -8.644 63.523 1.00 18.07 O ATOM 1278 H GLU B 39 55.580 -11.838 60.114 1.00 0.00 H ATOM 1279 N LEU B 40 56.768 -11.025 57.761 1.00 13.08 N ATOM 1280 CA LEU B 40 57.458 -11.228 56.492 1.00 12.46 C ATOM 1281 C LEU B 40 56.509 -11.733 55.413 1.00 13.76 C ATOM 1282 O LEU B 40 56.934 -12.415 54.477 1.00 16.52 O ATOM 1283 CB LEU B 40 58.641 -12.186 56.664 1.00 12.61 C ATOM 1284 CG LEU B 40 59.792 -11.600 57.480 1.00 11.45 C ATOM 1285 CD1 LEU B 40 60.758 -12.708 57.864 1.00 12.35 C ATOM 1286 CD2 LEU B 40 60.528 -10.512 56.704 1.00 14.17 C ATOM 1287 H LEU B 40 56.216 -11.805 58.171 1.00 0.00 H ATOM 1288 N SER B 41 55.234 -11.369 55.532 1.00 15.99 N ATOM 1289 CA SER B 41 54.210 -11.884 54.626 1.00 17.32 C ATOM 1290 C SER B 41 54.354 -11.415 53.175 1.00 18.37 C ATOM 1291 O SER B 41 53.803 -12.040 52.270 1.00 20.24 O ATOM 1292 CB SER B 41 52.809 -11.540 55.143 1.00 18.70 C ATOM 1293 OG SER B 41 52.585 -10.147 55.079 1.00 20.15 O ATOM 1294 HG SER B 41 53.257 -9.680 55.636 1.00 0.00 H ATOM 1295 H SER B 41 54.962 -10.705 56.285 1.00 0.00 H ATOM 1296 N HIS B 42 55.085 -10.328 52.945 1.00 17.94 N ATOM 1297 CA HIS B 42 55.286 -9.847 51.578 1.00 18.63 C ATOM 1298 C HIS B 42 56.628 -10.279 50.981 1.00 19.04 C ATOM 1299 O HIS B 42 56.889 -10.022 49.802 1.00 22.47 O ATOM 1300 CB HIS B 42 55.159 -8.322 51.519 1.00 20.49 C ATOM 1301 CG HIS B 42 53.927 -7.799 52.183 1.00 18.74 C ATOM 1302 ND1 HIS B 42 53.954 -7.163 53.406 1.00 19.64 N ATOM 1303 CD2 HIS B 42 52.625 -7.844 51.811 1.00 19.87 C ATOM 1304 CE1 HIS B 42 52.724 -6.823 53.749 1.00 21.76 C ATOM 1305 NE2 HIS B 42 51.899 -7.231 52.802 1.00 21.05 N ATOM 1306 H HIS B 42 55.516 -9.817 53.742 1.00 0.00 H ATOM 1307 N PHE B 43 57.468 -10.933 51.790 1.00 17.25 N ATOM 1308 CA PHE B 43 58.787 -11.388 51.338 1.00 17.67 C ATOM 1309 C PHE B 43 58.886 -12.904 51.245 1.00 20.38 C ATOM 1310 O PHE B 43 59.550 -13.438 50.352 1.00 23.35 O ATOM 1311 CB PHE B 43 59.897 -10.900 52.281 1.00 17.12 C ATOM 1312 CG PHE B 43 60.197 -9.431 52.189 1.00 16.02 C ATOM 1313 CD1 PHE B 43 59.468 -8.586 51.364 1.00 17.11 C ATOM 1314 CD2 PHE B 43 61.226 -8.892 52.954 1.00 16.65 C ATOM 1315 CE1 PHE B 43 59.755 -7.238 51.302 1.00 17.56 C ATOM 1316 CE2 PHE B 43 61.522 -7.545 52.894 1.00 16.02 C ATOM 1317 CZ PHE B 43 60.788 -6.713 52.067 1.00 17.08 C ATOM 1318 H PHE B 43 57.177 -11.125 52.770 1.00 0.00 H ATOM 1319 N LEU B 44 58.248 -13.593 52.189 1.00 18.09 N ATOM 1320 CA LEU B 44 58.311 -15.052 52.263 1.00 19.19 C ATOM 1321 C LEU B 44 56.923 -15.652 52.207 1.00 21.91 C ATOM 1322 O LEU B 44 55.944 -15.035 52.641 1.00 21.47 O ATOM 1323 CB LEU B 44 58.971 -15.510 53.564 1.00 21.09 C ATOM 1324 CG LEU B 44 60.393 -15.031 53.850 1.00 19.35 C ATOM 1325 CD1 LEU B 44 60.828 -15.523 55.216 1.00 20.37 C ATOM 1326 CD2 LEU B 44 61.369 -15.495 52.772 1.00 25.46 C ATOM 1327 H LEU B 44 57.687 -13.077 52.896 1.00 0.00 H ATOM 1328 N GLU B 45 56.851 -16.875 51.695 1.00 21.90 N ATOM 1329 CA GLU B 45 55.598 -17.611 51.669 1.00 23.34 C ATOM 1330 C GLU B 45 55.142 -17.892 53.094 1.00 23.86 C ATOM 1331 O GLU B 45 55.960 -18.165 53.972 1.00 22.36 O ATOM 1332 CB GLU B 45 55.783 -18.930 50.922 1.00 26.50 C ATOM 1333 CG GLU B 45 56.363 -18.784 49.520 1.00 34.42 C ATOM 1334 CD GLU B 45 55.302 -18.627 48.448 1.00 42.01 C ATOM 1335 OE1 GLU B 45 55.265 -19.477 47.531 1.00 47.46 O ATOM 1336 OE2 GLU B 45 54.512 -17.657 48.513 1.00 45.27 O ATOM 1337 H GLU B 45 57.709 -17.315 51.305 1.00 0.00 H ATOM 1338 N GLU B 46 53.836 -17.815 53.317 1.00 19.95 N ATOM 1339 CA GLU B 46 53.248 -18.190 54.593 1.00 18.70 C ATOM 1340 C GLU B 46 53.628 -19.631 54.937 1.00 20.63 C ATOM 1341 O GLU B 46 53.629 -20.508 54.069 1.00 21.55 O ATOM 1342 CB GLU B 46 51.729 -18.045 54.507 1.00 20.79 C ATOM 1343 CG GLU B 46 50.983 -18.331 55.794 1.00 20.23 C ATOM 1344 CD GLU B 46 49.481 -18.245 55.596 1.00 27.63 C ATOM 1345 OE1 GLU B 46 49.059 -17.820 54.499 1.00 32.20 O ATOM 1346 OE2 GLU B 46 48.730 -18.602 56.526 1.00 29.31 O ATOM 1347 H GLU B 46 53.214 -17.476 52.556 1.00 0.00 H ATOM 1348 N ILE B 47 53.990 -19.866 56.194 1.00 19.06 N ATOM 1349 CA ILE B 47 54.302 -21.210 56.660 1.00 19.43 C ATOM 1350 C ILE B 47 53.023 -21.839 57.182 1.00 21.01 C ATOM 1351 O ILE B 47 52.404 -21.306 58.105 1.00 18.84 O ATOM 1352 CB ILE B 47 55.333 -21.184 57.788 1.00 19.27 C ATOM 1353 CG1 ILE B 47 56.651 -20.607 57.270 1.00 18.18 C ATOM 1354 CG2 ILE B 47 55.537 -22.586 58.353 1.00 19.84 C ATOM 1355 CD1 ILE B 47 57.737 -20.503 58.323 1.00 16.59 C ATOM 1356 H ILE B 47 54.052 -19.071 56.861 1.00 0.00 H ATOM 1357 N LYS B 48 52.639 -22.973 56.596 1.00 22.66 N ATOM 1358 CA LYS B 48 51.402 -23.664 56.960 1.00 22.20 C ATOM 1359 C LYS B 48 51.648 -25.103 57.413 1.00 25.88 C ATOM 1360 O LYS B 48 50.721 -25.788 57.847 1.00 25.79 O ATOM 1361 CB LYS B 48 50.436 -23.680 55.774 1.00 25.99 C ATOM 1362 CG LYS B 48 49.736 -22.363 55.486 1.00 27.34 C ATOM 1363 CD LYS B 48 48.929 -22.477 54.197 1.00 31.57 C ATOM 1364 CE LYS B 48 47.811 -21.450 54.127 1.00 38.77 C ATOM 1365 NZ LYS B 48 46.561 -22.070 53.597 1.00 42.52 N ATOM 1366 HZ1 LYS B 48 46.738 -22.442 52.642 1.00 0.00 H ATOM 1367 HZ2 LYS B 48 46.268 -22.846 54.224 1.00 0.00 H ATOM 1368 HZ3 LYS B 48 45.809 -21.352 53.557 1.00 0.00 H ATOM 1369 H LYS B 48 53.241 -23.382 55.853 1.00 0.00 H ATOM 1370 N GLU B 49 52.889 -25.561 57.295 1.00 21.43 N ATOM 1371 CA GLU B 49 53.249 -26.927 57.672 1.00 23.55 C ATOM 1372 C GLU B 49 54.379 -26.944 58.694 1.00 22.47 C ATOM 1373 O GLU B 49 55.318 -26.149 58.600 1.00 21.62 O ATOM 1374 CB GLU B 49 53.700 -27.711 56.444 1.00 26.89 C ATOM 1375 CG GLU B 49 52.627 -27.980 55.422 1.00 31.85 C ATOM 1376 CD GLU B 49 53.189 -28.661 54.200 1.00 38.95 C ATOM 1377 OE1 GLU B 49 53.697 -27.948 53.309 1.00 43.77 O ATOM 1378 OE2 GLU B 49 53.142 -29.907 54.135 1.00 42.39 O ATOM 1379 H GLU B 49 53.627 -24.929 56.923 1.00 0.00 H ATOM 1380 N GLN B 50 54.304 -27.859 59.654 1.00 20.94 N ATOM 1381 CA GLN B 50 55.321 -27.944 60.694 1.00 19.85 C ATOM 1382 C GLN B 50 56.689 -28.279 60.100 1.00 22.11 C ATOM 1383 O GLN B 50 57.711 -27.762 60.553 1.00 20.61 O ATOM 1384 CB GLN B 50 54.919 -28.967 61.758 1.00 22.57 C ATOM 1385 CG GLN B 50 55.880 -29.043 62.934 1.00 21.03 C ATOM 1386 CD GLN B 50 55.968 -27.736 63.706 1.00 22.92 C ATOM 1387 OE1 GLN B 50 54.958 -27.070 63.941 1.00 25.12 O ATOM 1388 NE2 GLN B 50 57.181 -27.360 64.094 1.00 21.71 N ATOM 1389 HE22 GLN B 50 58.005 -27.955 63.873 1.00 0.00 H ATOM 1390 HE21 GLN B 50 57.307 -26.471 64.619 1.00 0.00 H ATOM 1391 H GLN B 50 53.506 -28.526 59.663 1.00 0.00 H ATOM 1392 N GLU B 51 56.698 -29.126 59.072 1.00 22.25 N ATOM 1393 CA GLU B 51 57.938 -29.509 58.401 1.00 24.47 C ATOM 1394 C GLU B 51 58.649 -28.299 57.794 1.00 20.32 C ATOM 1395 O GLU B 51 59.881 -28.241 57.774 1.00 21.27 O ATOM 1396 CB GLU B 51 57.664 -30.562 57.322 1.00 25.62 C ATOM 1397 CG GLU B 51 58.891 -30.971 56.518 1.00 31.26 C ATOM 1398 CD GLU B 51 58.645 -32.205 55.672 1.00 40.65 C ATOM 1399 OE1 GLU B 51 58.420 -32.057 54.451 1.00 44.55 O ATOM 1400 OE2 GLU B 51 58.671 -33.323 56.230 1.00 42.46 O ATOM 1401 H GLU B 51 55.798 -29.526 58.738 1.00 0.00 H ATOM 1402 N VAL B 52 57.878 -27.325 57.314 1.00 19.43 N ATOM 1403 CA VAL B 52 58.462 -26.119 56.736 1.00 21.00 C ATOM 1404 C VAL B 52 59.198 -25.273 57.788 1.00 20.57 C ATOM 1405 O VAL B 52 60.331 -24.839 57.556 1.00 18.50 O ATOM 1406 CB VAL B 52 57.414 -25.288 55.966 1.00 21.20 C ATOM 1407 CG1 VAL B 52 57.986 -23.949 55.533 1.00 18.41 C ATOM 1408 CG2 VAL B 52 56.928 -26.066 54.754 1.00 22.59 C ATOM 1409 H VAL B 52 56.844 -27.425 57.352 1.00 0.00 H ATOM 1410 N VAL B 53 58.586 -25.055 58.947 1.00 17.34 N ATOM 1411 CA VAL B 53 59.286 -24.297 59.992 1.00 16.43 C ATOM 1412 C VAL B 53 60.419 -25.125 60.608 1.00 16.15 C ATOM 1413 O VAL B 53 61.432 -24.563 61.035 1.00 15.92 O ATOM 1414 CB VAL B 53 58.336 -23.719 61.081 1.00 18.36 C ATOM 1415 CG1 VAL B 53 57.813 -24.820 61.974 1.00 19.41 C ATOM 1416 CG2 VAL B 53 59.045 -22.644 61.895 1.00 21.28 C ATOM 1417 H VAL B 53 57.625 -25.416 59.112 1.00 0.00 H ATOM 1418 N ASP B 54 60.272 -26.449 60.626 1.00 16.98 N ATOM 1419 CA ASP B 54 61.372 -27.312 61.053 1.00 17.52 C ATOM 1420 C ASP B 54 62.589 -27.055 60.181 1.00 18.40 C ATOM 1421 O ASP B 54 63.716 -26.956 60.675 1.00 14.48 O ATOM 1422 CB ASP B 54 61.003 -28.795 60.959 1.00 19.58 C ATOM 1423 CG ASP B 54 59.951 -29.213 61.968 1.00 20.74 C ATOM 1424 OD1 ASP B 54 59.679 -28.453 62.920 1.00 19.78 O ATOM 1425 OD2 ASP B 54 59.399 -30.324 61.800 1.00 23.49 O ATOM 1426 H ASP B 54 59.368 -26.872 60.334 1.00 0.00 H ATOM 1427 N LYS B 55 62.365 -26.938 58.876 1.00 16.62 N ATOM 1428 CA LYS B 55 63.477 -26.744 57.948 1.00 18.83 C ATOM 1429 C LYS B 55 64.128 -25.372 58.090 1.00 15.78 C ATOM 1430 O LYS B 55 65.353 -25.255 58.017 1.00 17.02 O ATOM 1431 CB LYS B 55 63.031 -26.952 56.505 1.00 17.44 C ATOM 1432 CG LYS B 55 62.837 -28.403 56.134 1.00 26.06 C ATOM 1433 CD LYS B 55 62.487 -28.511 54.665 1.00 32.99 C ATOM 1434 CE LYS B 55 61.970 -29.892 54.312 1.00 34.93 C ATOM 1435 NZ LYS B 55 61.279 -29.875 52.992 1.00 39.03 N ATOM 1436 HZ1 LYS B 55 60.476 -29.215 53.031 1.00 0.00 H ATOM 1437 HZ2 LYS B 55 61.947 -29.568 52.256 1.00 0.00 H ATOM 1438 HZ3 LYS B 55 60.933 -30.831 52.771 1.00 0.00 H ATOM 1439 H LYS B 55 61.392 -26.985 58.513 1.00 0.00 H ATOM 1440 N VAL B 56 63.318 -24.333 58.288 1.00 15.44 N ATOM 1441 CA VAL B 56 63.877 -23.005 58.501 1.00 15.52 C ATOM 1442 C VAL B 56 64.713 -22.977 59.770 1.00 13.49 C ATOM 1443 O VAL B 56 65.837 -22.479 59.748 1.00 13.06 O ATOM 1444 CB VAL B 56 62.800 -21.911 58.551 1.00 17.57 C ATOM 1445 CG1 VAL B 56 63.439 -20.547 58.779 1.00 14.19 C ATOM 1446 CG2 VAL B 56 62.007 -21.905 57.261 1.00 18.11 C ATOM 1447 H VAL B 56 62.287 -24.470 58.290 1.00 0.00 H ATOM 1448 N MET B 57 64.191 -23.533 60.862 1.00 14.09 N ATOM 1449 CA MET B 57 64.956 -23.583 62.106 1.00 13.17 C ATOM 1450 C MET B 57 66.247 -24.392 61.947 1.00 12.63 C ATOM 1451 O MET B 57 67.280 -24.037 62.514 1.00 12.93 O ATOM 1452 CB MET B 57 64.117 -24.135 63.270 1.00 12.60 C ATOM 1453 CG MET B 57 64.817 -24.040 64.624 1.00 13.12 C ATOM 1454 SD MET B 57 65.183 -22.341 65.148 1.00 13.19 S ATOM 1455 CE MET B 57 63.577 -21.869 65.794 1.00 12.79 C ATOM 1456 H MET B 57 63.232 -23.934 60.829 1.00 0.00 H ATOM 1457 N GLU B 58 66.197 -25.476 61.176 1.00 14.58 N ATOM 1458 CA GLU B 58 67.399 -26.279 60.972 1.00 13.24 C ATOM 1459 C GLU B 58 68.479 -25.428 60.322 1.00 13.10 C ATOM 1460 O GLU B 58 69.659 -25.531 60.672 1.00 13.13 O ATOM 1461 CB GLU B 58 67.099 -27.522 60.126 1.00 13.79 C ATOM 1462 CG GLU B 58 68.235 -28.570 60.106 1.00 14.90 C ATOM 1463 CD GLU B 58 69.374 -28.265 59.124 1.00 16.79 C ATOM 1464 OE1 GLU B 58 69.187 -27.510 58.146 1.00 15.59 O ATOM 1465 OE2 GLU B 58 70.480 -28.808 59.322 1.00 16.51 O ATOM 1466 H GLU B 58 65.303 -25.750 60.720 1.00 0.00 H ATOM 1467 N THR B 59 68.065 -24.579 59.383 1.00 11.93 N ATOM 1468 CA THR B 59 68.999 -23.692 58.703 1.00 12.04 C ATOM 1469 C THR B 59 69.546 -22.646 59.666 1.00 13.71 C ATOM 1470 O THR B 59 70.756 -22.406 59.703 1.00 14.50 O ATOM 1471 CB THR B 59 68.338 -22.974 57.498 1.00 12.84 C ATOM 1472 OG1 THR B 59 67.930 -23.944 56.520 1.00 16.98 O ATOM 1473 CG2 THR B 59 69.303 -21.988 56.856 1.00 15.20 C ATOM 1474 HG1 THR B 59 67.509 -23.481 55.753 1.00 0.00 H ATOM 1475 H THR B 59 67.057 -24.549 59.131 1.00 0.00 H ATOM 1476 N LEU B 60 68.655 -22.029 60.450 1.00 14.91 N ATOM 1477 CA LEU B 60 69.039 -20.896 61.300 1.00 13.37 C ATOM 1478 C LEU B 60 69.760 -21.268 62.590 1.00 11.95 C ATOM 1479 O LEU B 60 70.511 -20.449 63.142 1.00 13.38 O ATOM 1480 CB LEU B 60 67.812 -20.044 61.649 1.00 12.14 C ATOM 1481 CG LEU B 60 67.045 -19.439 60.483 1.00 13.85 C ATOM 1482 CD1 LEU B 60 65.946 -18.519 60.999 1.00 12.78 C ATOM 1483 CD2 LEU B 60 68.006 -18.683 59.573 1.00 17.69 C ATOM 1484 H LEU B 60 67.669 -22.359 60.457 1.00 0.00 H ATOM 1485 N ASP B 61 69.535 -22.485 63.079 1.00 12.32 N ATOM 1486 CA ASP B 61 70.039 -22.878 64.394 1.00 13.71 C ATOM 1487 C ASP B 61 71.469 -23.402 64.316 1.00 15.10 C ATOM 1488 O ASP B 61 71.695 -24.586 64.058 1.00 19.45 O ATOM 1489 CB ASP B 61 69.109 -23.923 65.031 1.00 13.80 C ATOM 1490 CG ASP B 61 69.598 -24.398 66.380 1.00 14.84 C ATOM 1491 OD1 ASP B 61 70.282 -23.632 67.082 1.00 13.81 O ATOM 1492 OD2 ASP B 61 69.308 -25.558 66.743 1.00 15.46 O ATOM 1493 H ASP B 61 68.991 -23.169 62.516 1.00 0.00 H ATOM 1494 N SER B 62 72.434 -22.524 64.554 1.00 13.02 N ATOM 1495 CA SER B 62 73.841 -22.887 64.419 1.00 12.25 C ATOM 1496 C SER B 62 74.469 -23.514 65.662 1.00 17.42 C ATOM 1497 O SER B 62 75.576 -24.046 65.578 1.00 18.96 O ATOM 1498 CB SER B 62 74.660 -21.669 63.990 1.00 14.18 C ATOM 1499 OG SER B 62 74.217 -21.178 62.740 1.00 17.26 O ATOM 1500 HG SER B 62 74.761 -20.391 62.484 1.00 0.00 H ATOM 1501 H SER B 62 72.183 -21.557 64.843 1.00 0.00 H ATOM 1502 N ASP B 63 73.802 -23.445 66.814 1.00 16.20 N ATOM 1503 CA ASP B 63 74.377 -24.056 68.018 1.00 16.62 C ATOM 1504 C ASP B 63 73.585 -25.250 68.546 1.00 19.05 C ATOM 1505 O ASP B 63 73.838 -25.726 69.653 1.00 19.23 O ATOM 1506 CB ASP B 63 74.652 -23.028 69.137 1.00 15.50 C ATOM 1507 CG ASP B 63 73.385 -22.385 69.692 1.00 18.20 C ATOM 1508 OD1 ASP B 63 72.278 -22.663 69.191 1.00 14.46 O ATOM 1509 OD2 ASP B 63 73.513 -21.585 70.644 1.00 19.97 O ATOM 1510 H ASP B 63 72.882 -22.962 66.859 1.00 0.00 H ATOM 1511 N GLY B 64 72.626 -25.717 67.751 1.00 18.08 N ATOM 1512 CA GLY B 64 71.948 -26.972 68.022 1.00 19.29 C ATOM 1513 C GLY B 64 71.011 -26.994 69.210 1.00 20.95 C ATOM 1514 O GLY B 64 70.660 -28.070 69.697 1.00 21.65 O ATOM 1515 H GLY B 64 72.354 -25.167 66.911 1.00 0.00 H ATOM 1516 N ASP B 65 70.580 -25.827 69.678 1.00 18.82 N ATOM 1517 CA ASP B 65 69.667 -25.802 70.822 1.00 17.12 C ATOM 1518 C ASP B 65 68.190 -25.815 70.418 1.00 16.10 C ATOM 1519 O ASP B 65 67.307 -25.816 71.279 1.00 19.27 O ATOM 1520 CB ASP B 65 69.982 -24.642 71.776 1.00 18.23 C ATOM 1521 CG ASP B 65 69.607 -23.277 71.213 1.00 17.02 C ATOM 1522 OD1 ASP B 65 69.325 -23.158 70.005 1.00 14.73 O ATOM 1523 OD2 ASP B 65 69.619 -22.307 71.999 1.00 21.59 O ATOM 1524 H ASP B 65 70.889 -24.938 69.235 1.00 0.00 H ATOM 1525 N GLY B 66 67.934 -25.841 69.112 1.00 14.68 N ATOM 1526 CA GLY B 66 66.586 -25.957 68.582 1.00 14.83 C ATOM 1527 C GLY B 66 65.832 -24.641 68.505 1.00 14.76 C ATOM 1528 O GLY B 66 64.650 -24.613 68.136 1.00 15.97 O ATOM 1529 H GLY B 66 68.729 -25.776 68.445 1.00 0.00 H ATOM 1530 N GLU B 67 66.526 -23.559 68.846 1.00 13.60 N ATOM 1531 CA GLU B 67 65.943 -22.225 68.877 1.00 12.99 C ATOM 1532 C GLU B 67 66.835 -21.242 68.142 1.00 12.46 C ATOM 1533 O GLU B 67 67.992 -21.522 67.855 1.00 14.38 O ATOM 1534 CB GLU B 67 65.726 -21.760 70.322 1.00 13.71 C ATOM 1535 CG GLU B 67 64.852 -22.719 71.136 1.00 14.73 C ATOM 1536 CD GLU B 67 64.131 -22.037 72.276 1.00 16.82 C ATOM 1537 OE1 GLU B 67 63.907 -20.810 72.192 1.00 15.09 O ATOM 1538 OE2 GLU B 67 63.771 -22.734 73.255 1.00 17.93 O ATOM 1539 H GLU B 67 67.528 -23.670 69.101 1.00 0.00 H ATOM 1540 N CYS B 68 66.262 -20.088 67.822 1.00 10.74 N ATOM 1541 CA CYS B 68 66.988 -19.034 67.150 1.00 10.76 C ATOM 1542 C CYS B 68 67.263 -17.876 68.118 1.00 11.08 C ATOM 1543 O CYS B 68 66.343 -17.141 68.501 1.00 10.41 O ATOM 1544 CB CYS B 68 66.184 -18.555 65.934 1.00 9.84 C ATOM 1545 SG CYS B 68 66.945 -17.227 64.987 1.00 11.40 S ATOM 1546 H CYS B 68 65.261 -19.938 68.062 1.00 0.00 H ATOM 1547 N ASP B 69 68.528 -17.714 68.505 1.00 11.27 N ATOM 1548 CA ASP B 69 68.911 -16.618 69.398 1.00 10.49 C ATOM 1549 C ASP B 69 69.114 -15.304 68.624 1.00 10.40 C ATOM 1550 O ASP B 69 68.844 -15.255 67.421 1.00 10.11 O ATOM 1551 CB ASP B 69 70.107 -16.981 70.299 1.00 10.96 C ATOM 1552 CG ASP B 69 71.414 -17.181 69.532 1.00 13.74 C ATOM 1553 OD1 ASP B 69 71.527 -16.725 68.374 1.00 13.00 O ATOM 1554 OD2 ASP B 69 72.364 -17.761 70.118 1.00 16.33 O ATOM 1555 H ASP B 69 69.255 -18.377 68.167 1.00 0.00 H ATOM 1556 N PHE B 70 69.563 -14.246 69.293 1.00 10.99 N ATOM 1557 CA PHE B 70 69.678 -12.965 68.600 1.00 11.31 C ATOM 1558 C PHE B 70 70.705 -13.000 67.465 1.00 11.62 C ATOM 1559 O PHE B 70 70.431 -12.490 66.381 1.00 10.17 O ATOM 1560 CB PHE B 70 69.977 -11.814 69.561 1.00 11.24 C ATOM 1561 CG PHE B 70 69.857 -10.461 68.922 1.00 13.53 C ATOM 1562 CD1 PHE B 70 68.616 -9.882 68.737 1.00 13.67 C ATOM 1563 CD2 PHE B 70 70.984 -9.774 68.486 1.00 15.38 C ATOM 1564 CE1 PHE B 70 68.496 -8.633 68.136 1.00 16.51 C ATOM 1565 CE2 PHE B 70 70.865 -8.532 67.887 1.00 14.15 C ATOM 1566 CZ PHE B 70 69.627 -7.963 67.713 1.00 16.01 C ATOM 1567 H PHE B 70 69.828 -14.329 70.295 1.00 0.00 H ATOM 1568 N GLN B 71 71.862 -13.608 67.718 1.00 11.66 N ATOM 1569 CA GLN B 71 72.917 -13.738 66.707 1.00 12.87 C ATOM 1570 C GLN B 71 72.410 -14.500 65.489 1.00 11.68 C ATOM 1571 O GLN B 71 72.620 -14.093 64.335 1.00 12.06 O ATOM 1572 CB GLN B 71 74.114 -14.454 67.323 1.00 13.98 C ATOM 1573 CG GLN B 71 75.319 -14.612 66.434 1.00 16.23 C ATOM 1574 CD GLN B 71 76.499 -15.190 67.201 1.00 20.91 C ATOM 1575 OE1 GLN B 71 76.429 -16.307 67.730 1.00 24.61 O ATOM 1576 NE2 GLN B 71 77.585 -14.431 67.279 1.00 30.56 N ATOM 1577 HE22 GLN B 71 77.602 -13.498 66.820 1.00 0.00 H ATOM 1578 HE21 GLN B 71 78.419 -14.769 67.800 1.00 0.00 H ATOM 1579 H GLN B 71 72.024 -14.005 68.666 1.00 0.00 H ATOM 1580 N GLU B 72 71.702 -15.592 65.748 1.00 10.16 N ATOM 1581 CA GLU B 72 71.126 -16.381 64.668 1.00 10.38 C ATOM 1582 C GLU B 72 70.038 -15.604 63.919 1.00 9.05 C ATOM 1583 O GLU B 72 69.878 -15.737 62.700 1.00 9.78 O ATOM 1584 CB GLU B 72 70.611 -17.713 65.216 1.00 7.97 C ATOM 1585 CG GLU B 72 71.741 -18.605 65.755 1.00 9.87 C ATOM 1586 CD GLU B 72 71.259 -19.731 66.660 1.00 10.97 C ATOM 1587 OE1 GLU B 72 70.160 -19.625 67.225 1.00 11.14 O ATOM 1588 OE2 GLU B 72 71.983 -20.742 66.814 1.00 11.73 O ATOM 1589 H GLU B 72 71.557 -15.888 66.734 1.00 0.00 H ATOM 1590 N PHE B 73 69.298 -14.772 64.638 1.00 9.19 N ATOM 1591 CA PHE B 73 68.308 -13.926 63.998 1.00 10.51 C ATOM 1592 C PHE B 73 68.950 -12.893 63.078 1.00 10.45 C ATOM 1593 O PHE B 73 68.435 -12.609 61.993 1.00 10.58 O ATOM 1594 CB PHE B 73 67.436 -13.231 65.047 1.00 10.99 C ATOM 1595 CG PHE B 73 66.342 -12.395 64.453 1.00 10.27 C ATOM 1596 CD1 PHE B 73 65.303 -12.992 63.743 1.00 10.47 C ATOM 1597 CD2 PHE B 73 66.353 -11.014 64.593 1.00 11.13 C ATOM 1598 CE1 PHE B 73 64.296 -12.218 63.187 1.00 12.21 C ATOM 1599 CE2 PHE B 73 65.342 -10.238 64.030 1.00 12.22 C ATOM 1600 CZ PHE B 73 64.323 -10.846 63.332 1.00 11.52 C ATOM 1601 H PHE B 73 69.428 -14.725 65.669 1.00 0.00 H ATOM 1602 N MET B 74 70.062 -12.317 63.515 1.00 11.46 N ATOM 1603 CA MET B 74 70.819 -11.419 62.654 1.00 11.58 C ATOM 1604 C MET B 74 71.229 -12.085 61.346 1.00 11.03 C ATOM 1605 O MET B 74 71.161 -11.471 60.280 1.00 11.23 O ATOM 1606 CB MET B 74 72.046 -10.884 63.386 1.00 16.32 C ATOM 1607 CG MET B 74 71.710 -9.996 64.570 1.00 16.57 C ATOM 1608 SD MET B 74 71.138 -8.365 64.076 1.00 20.12 S ATOM 1609 CE MET B 74 69.405 -8.584 63.819 1.00 14.44 C ATOM 1610 H MET B 74 70.396 -12.508 64.481 1.00 0.00 H ATOM 1611 N ALA B 75 71.659 -13.336 61.428 1.00 10.00 N ATOM 1612 CA ALA B 75 71.999 -14.073 60.221 1.00 10.50 C ATOM 1613 C ALA B 75 70.770 -14.285 59.325 1.00 10.86 C ATOM 1614 O ALA B 75 70.856 -14.187 58.096 1.00 11.16 O ATOM 1615 CB ALA B 75 72.659 -15.388 60.575 1.00 11.23 C ATOM 1616 H ALA B 75 71.754 -13.792 62.358 1.00 0.00 H ATOM 1617 N PHE B 76 69.617 -14.551 59.934 1.00 10.95 N ATOM 1618 CA PHE B 76 68.365 -14.648 59.189 1.00 10.15 C ATOM 1619 C PHE B 76 68.059 -13.322 58.487 1.00 11.34 C ATOM 1620 O PHE B 76 67.746 -13.302 57.292 1.00 11.16 O ATOM 1621 CB PHE B 76 67.237 -15.035 60.155 1.00 10.68 C ATOM 1622 CG PHE B 76 65.899 -15.275 59.503 1.00 11.37 C ATOM 1623 CD1 PHE B 76 65.792 -15.981 58.314 1.00 14.72 C ATOM 1624 CD2 PHE B 76 64.735 -14.839 60.127 1.00 14.10 C ATOM 1625 CE1 PHE B 76 64.549 -16.211 57.736 1.00 13.71 C ATOM 1626 CE2 PHE B 76 63.486 -15.080 59.560 1.00 13.91 C ATOM 1627 CZ PHE B 76 63.400 -15.772 58.367 1.00 12.87 C ATOM 1628 H PHE B 76 69.607 -14.693 60.964 1.00 0.00 H ATOM 1629 N VAL B 77 68.180 -12.215 59.215 1.00 10.47 N ATOM 1630 CA VAL B 77 67.984 -10.889 58.617 1.00 10.54 C ATOM 1631 C VAL B 77 68.913 -10.666 57.422 1.00 10.29 C ATOM 1632 O VAL B 77 68.484 -10.173 56.377 1.00 11.29 O ATOM 1633 CB VAL B 77 68.155 -9.769 59.663 1.00 9.16 C ATOM 1634 CG1 VAL B 77 68.157 -8.402 58.989 1.00 12.50 C ATOM 1635 CG2 VAL B 77 67.035 -9.851 60.691 1.00 12.66 C ATOM 1636 H VAL B 77 68.417 -12.290 60.225 1.00 0.00 H ATOM 1637 N ALA B 78 70.180 -11.039 57.562 1.00 9.82 N ATOM 1638 CA ALA B 78 71.100 -10.877 56.441 1.00 10.63 C ATOM 1639 C ALA B 78 70.649 -11.696 55.227 1.00 11.67 C ATOM 1640 O ALA B 78 70.722 -11.212 54.099 1.00 11.83 O ATOM 1641 CB ALA B 78 72.512 -11.245 56.846 1.00 12.46 C ATOM 1642 H ALA B 78 70.513 -11.442 58.461 1.00 0.00 H ATOM 1643 N MET B 79 70.192 -12.931 55.453 1.00 10.73 N ATOM 1644 CA MET B 79 69.673 -13.768 54.367 1.00 13.01 C ATOM 1645 C MET B 79 68.499 -13.090 53.653 1.00 13.49 C ATOM 1646 O MET B 79 68.477 -12.985 52.424 1.00 13.35 O ATOM 1647 CB MET B 79 69.194 -15.119 54.908 1.00 14.12 C ATOM 1648 CG MET B 79 70.293 -16.007 55.439 1.00 18.07 C ATOM 1649 SD MET B 79 69.605 -17.391 56.381 1.00 23.81 S ATOM 1650 CE MET B 79 68.408 -18.034 55.209 1.00 27.35 C ATOM 1651 H MET B 79 70.205 -13.308 56.422 1.00 0.00 H ATOM 1652 N ILE B 80 67.527 -12.628 54.433 1.00 11.52 N ATOM 1653 CA ILE B 80 66.329 -12.006 53.885 1.00 12.39 C ATOM 1654 C ILE B 80 66.697 -10.735 53.126 1.00 11.89 C ATOM 1655 O ILE B 80 66.193 -10.486 52.020 1.00 13.66 O ATOM 1656 CB ILE B 80 65.334 -11.656 55.005 1.00 13.97 C ATOM 1657 CG1 ILE B 80 64.823 -12.923 55.684 1.00 14.87 C ATOM 1658 CG2 ILE B 80 64.177 -10.832 54.474 1.00 17.18 C ATOM 1659 CD1 ILE B 80 64.230 -12.622 57.039 1.00 17.62 C ATOM 1660 H ILE B 80 67.625 -12.713 55.465 1.00 0.00 H ATOM 1661 N THR B 81 67.590 -9.939 53.709 1.00 11.67 N ATOM 1662 CA THR B 81 67.974 -8.679 53.093 1.00 13.12 C ATOM 1663 C THR B 81 68.731 -8.923 51.785 1.00 13.83 C ATOM 1664 O THR B 81 68.545 -8.187 50.808 1.00 14.16 O ATOM 1665 CB THR B 81 68.816 -7.819 54.062 1.00 12.04 C ATOM 1666 OG1 THR B 81 68.081 -7.600 55.274 1.00 11.77 O ATOM 1667 CG2 THR B 81 69.144 -6.472 53.442 1.00 11.94 C ATOM 1668 HG1 THR B 81 67.879 -8.471 55.698 1.00 0.00 H ATOM 1669 H THR B 81 68.017 -10.221 54.614 1.00 0.00 H ATOM 1670 N THR B 82 69.590 -9.937 51.772 1.00 12.38 N ATOM 1671 CA THR B 82 70.340 -10.277 50.569 1.00 13.49 C ATOM 1672 C THR B 82 69.382 -10.732 49.477 1.00 15.46 C ATOM 1673 O THR B 82 69.543 -10.367 48.317 1.00 16.10 O ATOM 1674 CB THR B 82 71.394 -11.356 50.864 1.00 15.46 C ATOM 1675 OG1 THR B 82 72.341 -10.836 51.808 1.00 15.92 O ATOM 1676 CG2 THR B 82 72.146 -11.759 49.596 1.00 16.70 C ATOM 1677 HG1 THR B 82 71.871 -10.590 52.644 1.00 0.00 H ATOM 1678 H THR B 82 69.730 -10.498 52.636 1.00 0.00 H ATOM 1679 N ALA B 83 68.380 -11.522 49.852 1.00 14.46 N ATOM 1680 CA ALA B 83 67.357 -11.954 48.895 1.00 15.51 C ATOM 1681 C ALA B 83 66.605 -10.765 48.297 1.00 17.81 C ATOM 1682 O ALA B 83 66.413 -10.693 47.081 1.00 18.52 O ATOM 1683 CB ALA B 83 66.387 -12.930 49.555 1.00 15.52 C ATOM 1684 H ALA B 83 68.321 -11.839 50.841 1.00 0.00 H ATOM 1685 N CYS B 84 66.192 -9.836 49.157 1.00 15.09 N ATOM 1686 CA CYS B 84 65.488 -8.632 48.736 1.00 14.01 C ATOM 1687 C CYS B 84 66.378 -7.772 47.841 1.00 17.60 C ATOM 1688 O CYS B 84 65.938 -7.246 46.817 1.00 18.20 O ATOM 1689 CB CYS B 84 65.070 -7.824 49.972 1.00 15.56 C ATOM 1690 SG CYS B 84 64.067 -6.364 49.642 1.00 19.68 S ATOM 1691 H CYS B 84 66.380 -9.976 50.170 1.00 0.00 H ATOM 1692 N HIS B 85 67.637 -7.638 48.237 1.00 16.32 N ATOM 1693 CA HIS B 85 68.614 -6.859 47.484 1.00 16.83 C ATOM 1694 C HIS B 85 68.747 -7.352 46.043 1.00 18.14 C ATOM 1695 O HIS B 85 68.931 -6.548 45.118 1.00 19.16 O ATOM 1696 CB HIS B 85 69.975 -6.941 48.177 1.00 13.83 C ATOM 1697 CG HIS B 85 71.029 -6.076 47.561 1.00 15.49 C ATOM 1698 ND1 HIS B 85 72.275 -6.557 47.216 1.00 15.98 N ATOM 1699 CD2 HIS B 85 71.028 -4.764 47.233 1.00 17.72 C ATOM 1700 CE1 HIS B 85 72.999 -5.574 46.710 1.00 16.26 C ATOM 1701 NE2 HIS B 85 72.265 -4.476 46.709 1.00 15.49 N ATOM 1702 H HIS B 85 67.938 -8.105 49.116 1.00 0.00 H ATOM 1703 N GLU B 86 68.665 -8.665 45.868 1.00 17.36 N ATOM 1704 CA GLU B 86 68.781 -9.297 44.555 1.00 21.23 C ATOM 1705 C GLU B 86 67.399 -9.513 43.930 1.00 23.23 C ATOM 1706 O GLU B 86 67.223 -10.365 43.061 1.00 22.00 O ATOM 1707 CB GLU B 86 69.586 -10.597 44.671 1.00 22.99 C ATOM 1708 CG GLU B 86 70.989 -10.345 45.236 1.00 21.74 C ATOM 1709 CD GLU B 86 71.820 -11.599 45.427 1.00 27.39 C ATOM 1710 OE1 GLU B 86 73.017 -11.462 45.758 1.00 31.38 O ATOM 1711 OE2 GLU B 86 71.285 -12.714 45.264 1.00 33.08 O ATOM 1712 H GLU B 86 68.512 -9.270 46.700 1.00 0.00 H ATOM 1713 N PHE B 87 66.429 -8.725 44.394 1.00 21.85 N ATOM 1714 CA PHE B 87 65.090 -8.669 43.805 1.00 23.26 C ATOM 1715 C PHE B 87 64.349 -9.998 43.883 1.00 21.49 C ATOM 1716 O PHE B 87 63.464 -10.274 43.069 1.00 21.58 O ATOM 1717 CB PHE B 87 65.156 -8.164 42.358 1.00 22.38 C ATOM 1718 CG PHE B 87 65.848 -6.835 42.212 1.00 23.52 C ATOM 1719 CD1 PHE B 87 67.163 -6.767 41.778 1.00 26.67 C ATOM 1720 CD2 PHE B 87 65.182 -5.654 42.510 1.00 24.99 C ATOM 1721 CE1 PHE B 87 67.804 -5.542 41.636 1.00 25.09 C ATOM 1722 CE2 PHE B 87 65.818 -4.422 42.368 1.00 24.60 C ATOM 1723 CZ PHE B 87 67.131 -4.371 41.936 1.00 22.81 C ATOM 1724 H PHE B 87 66.634 -8.120 45.215 1.00 0.00 H ATOM 1725 N PHE B 88 64.715 -10.804 44.877 1.00 21.59 N ATOM 1726 CA PHE B 88 64.119 -12.117 45.130 1.00 23.40 C ATOM 1727 C PHE B 88 64.275 -13.100 43.962 1.00 26.82 C ATOM 1728 O PHE B 88 63.518 -14.065 43.849 1.00 30.98 O ATOM 1729 CB PHE B 88 62.648 -11.977 45.543 1.00 23.02 C ATOM 1730 CG PHE B 88 62.443 -11.110 46.754 1.00 20.31 C ATOM 1731 CD1 PHE B 88 62.091 -9.775 46.617 1.00 20.06 C ATOM 1732 CD2 PHE B 88 62.622 -11.627 48.028 1.00 22.91 C ATOM 1733 CE1 PHE B 88 61.911 -8.967 47.733 1.00 20.30 C ATOM 1734 CE2 PHE B 88 62.444 -10.828 49.147 1.00 20.94 C ATOM 1735 CZ PHE B 88 62.086 -9.497 49.001 1.00 19.57 C ATOM 1736 H PHE B 88 65.471 -10.481 45.513 1.00 0.00 H ATOM 1737 N GLU B 89 65.270 -12.865 43.111 1.00 26.04 N ATOM 1738 CA GLU B 89 65.458 -13.673 41.906 1.00 30.50 C ATOM 1739 C GLU B 89 65.794 -15.135 42.207 1.00 32.96 C ATOM 1740 O GLU B 89 65.523 -16.023 41.394 1.00 33.14 O ATOM 1741 CB GLU B 89 66.552 -13.072 41.019 1.00 32.94 C ATOM 1742 CG GLU B 89 66.658 -13.727 39.641 1.00 39.71 C ATOM 1743 CD GLU B 89 68.055 -13.646 39.050 1.00 44.88 C ATOM 1744 OE1 GLU B 89 68.546 -14.680 38.547 1.00 47.65 O ATOM 1745 OE2 GLU B 89 68.661 -12.553 39.084 1.00 46.10 O ATOM 1746 H GLU B 89 65.931 -12.087 43.307 1.00 0.00 H ATOM 1747 N HIS B 90 66.383 -15.384 43.373 1.00 33.04 N ATOM 1748 CA HIS B 90 66.822 -16.734 43.724 1.00 32.24 C ATOM 1749 C HIS B 90 66.007 -17.328 44.871 1.00 33.92 C ATOM 1750 O HIS B 90 66.335 -18.398 45.386 1.00 34.99 O ATOM 1751 CB HIS B 90 68.316 -16.739 44.073 1.00 32.19 C ATOM 1752 CG HIS B 90 69.198 -16.251 42.965 1.00 34.26 C ATOM 1753 ND1 HIS B 90 69.493 -17.014 41.855 1.00 32.74 N ATOM 1754 CD2 HIS B 90 69.849 -15.074 42.796 1.00 33.27 C ATOM 1755 CE1 HIS B 90 70.288 -16.328 41.050 1.00 36.38 C ATOM 1756 NE2 HIS B 90 70.518 -15.149 41.599 1.00 36.12 N ATOM 1757 H HIS B 90 66.534 -14.606 44.046 1.00 0.00 H TER 1758 HIS B 90 HETATM 1759 CA CA A 1 81.553 3.072 45.571 1.00 12.73 CA HETATM 1760 CA CA A 2 85.800 -6.253 50.506 1.00 11.25 CA HETATM 1761 CA CA A 3 60.974 -17.507 73.337 1.00 12.73 CA HETATM 1762 CA CA A 4 70.299 -21.754 68.401 1.00 11.25 CA HETATM 1763 O HOH 5 90.079 10.533 66.567 1.00 39.23 O HETATM 1764 O HOH 6 79.913 13.804 55.871 1.00 30.43 O HETATM 1765 O HOH 7 77.785 -5.509 72.457 1.00 31.39 O HETATM 1766 O HOH 8 90.311 -9.049 53.952 1.00 24.03 O HETATM 1767 O HOH 9 90.993 0.087 52.120 1.00 22.12 O HETATM 1768 O HOH 10 91.007 -3.128 62.136 1.00 17.64 O HETATM 1769 O HOH 11 82.024 -10.660 49.800 1.00 22.24 O HETATM 1770 O HOH 12 78.310 13.284 52.688 1.00 31.89 O HETATM 1771 O HOH 13 96.062 3.397 58.608 1.00 31.97 O HETATM 1772 O HOH 14 94.868 -6.796 58.004 1.00 19.74 O HETATM 1773 O HOH 15 87.826 14.539 58.341 1.00 30.10 O HETATM 1774 O HOH 16 88.936 15.570 60.011 1.00 34.66 O HETATM 1775 O HOH 17 53.865 -0.581 58.526 1.00 33.28 O HETATM 1776 O HOH 18 86.868 -1.891 63.725 1.00 23.83 O HETATM 1777 O HOH 19 57.899 3.116 60.319 1.00 33.12 O HETATM 1778 O HOH 20 91.461 -4.439 53.869 1.00 21.25 O HETATM 1779 O HOH 21 68.999 6.323 54.307 1.00 16.26 O HETATM 1780 O HOH 22 81.501 -4.597 41.595 1.00 32.42 O HETATM 1781 O HOH 23 71.220 9.185 52.633 1.00 23.76 O HETATM 1782 O HOH 24 84.414 -6.436 48.574 1.00 15.00 O HETATM 1783 O HOH 25 85.797 -3.342 42.712 1.00 24.81 O HETATM 1784 O HOH 26 78.253 -5.482 46.650 1.00 12.51 O HETATM 1785 O HOH 27 82.592 -9.619 56.568 1.00 17.76 O HETATM 1786 O HOH 28 85.836 2.003 43.772 1.00 16.02 O HETATM 1787 O HOH 29 85.880 -8.342 45.791 1.00 35.41 O HETATM 1788 O HOH 30 81.884 9.751 49.212 1.00 23.84 O HETATM 1789 O HOH 31 92.474 -0.362 56.035 1.00 21.08 O HETATM 1790 O HOH 32 88.760 2.036 50.064 1.00 13.13 O HETATM 1791 O HOH 33 74.891 -4.058 44.093 1.00 27.09 O HETATM 1792 O HOH 34 73.954 12.258 52.084 1.00 29.70 O HETATM 1793 O HOH 35 85.271 12.049 66.924 1.00 30.53 O HETATM 1794 O HOH 36 72.974 9.651 48.705 1.00 18.29 O HETATM 1795 O HOH 37 76.915 -10.767 55.687 1.00 21.30 O HETATM 1796 O HOH 38 83.227 5.540 65.151 1.00 29.24 O HETATM 1797 O HOH 39 67.690 3.892 54.434 1.00 18.34 O HETATM 1798 O HOH 40 73.037 -9.508 71.539 1.00 22.03 O HETATM 1799 O HOH 41 82.230 -7.038 57.223 1.00 13.49 O HETATM 1800 O HOH 42 84.731 10.928 53.065 1.00 19.15 O HETATM 1801 O HOH 43 87.614 -1.509 43.713 1.00 24.47 O HETATM 1802 O HOH 44 83.790 2.481 45.681 1.00 13.78 O HETATM 1803 O HOH 45 92.723 11.001 53.752 1.00 28.65 O HETATM 1804 O HOH 46 70.015 6.334 57.124 1.00 13.65 O HETATM 1805 O HOH 47 74.817 -11.051 67.448 1.00 18.50 O HETATM 1806 O HOH 48 82.231 13.078 57.110 1.00 27.05 O HETATM 1807 O HOH 49 65.856 6.316 51.743 1.00 24.63 O HETATM 1808 O HOH 50 70.267 10.938 58.080 1.00 24.80 O HETATM 1809 O HOH 51 88.267 9.976 64.364 1.00 25.30 O HETATM 1810 O HOH 52 69.741 3.697 47.518 1.00 18.66 O HETATM 1811 O HOH 53 94.546 -7.234 50.482 1.00 39.98 O HETATM 1812 O HOH 54 90.903 -6.273 55.845 1.00 17.03 O HETATM 1813 O HOH 55 93.602 6.354 65.537 1.00 41.20 O HETATM 1814 O HOH 56 76.668 5.558 40.378 1.00 30.94 O HETATM 1815 O HOH 57 83.848 -10.589 51.838 1.00 17.22 O HETATM 1816 O HOH 58 60.834 -0.007 60.122 1.00 19.60 O HETATM 1817 O HOH 59 72.707 9.771 62.113 1.00 18.78 O HETATM 1818 O HOH 60 84.611 14.334 60.314 1.00 26.51 O HETATM 1819 O HOH 61 88.504 2.783 64.007 1.00 25.16 O HETATM 1820 O HOH 62 90.193 -7.465 61.659 1.00 13.01 O HETATM 1821 O HOH 63 80.946 12.057 67.549 1.00 30.74 O HETATM 1822 O HOH 64 70.233 10.505 54.501 1.00 29.47 O HETATM 1823 O HOH 65 84.372 -7.858 42.944 1.00 36.66 O HETATM 1824 O HOH 66 86.404 8.534 65.916 1.00 27.37 O HETATM 1825 O HOH 67 72.791 13.171 57.988 1.00 27.91 O HETATM 1826 O HOH 68 78.752 -9.261 62.173 1.00 15.87 O HETATM 1827 O HOH 69 89.641 10.918 56.997 1.00 26.48 O HETATM 1828 O HOH 70 80.368 0.320 39.110 1.00 28.35 O HETATM 1829 O HOH 71 81.939 -8.369 45.919 1.00 22.27 O HETATM 1830 O HOH 72 94.957 9.505 60.498 1.00 28.44 O HETATM 1831 O HOH 73 87.881 -14.055 51.957 1.00 26.66 O HETATM 1832 O HOH 74 78.890 -6.038 68.005 1.00 20.48 O HETATM 1833 O HOH 75 90.897 -0.561 47.447 1.00 22.41 O HETATM 1834 O HOH 76 74.384 2.507 44.216 1.00 24.30 O HETATM 1835 O HOH 77 77.985 -2.795 73.057 1.00 28.35 O HETATM 1836 O HOH 78 89.049 -6.205 63.784 1.00 15.72 O HETATM 1837 O HOH 79 79.996 11.917 48.789 1.00 36.02 O HETATM 1838 O HOH 80 79.138 9.014 63.498 1.00 17.07 O HETATM 1839 O HOH 81 81.914 4.791 68.538 1.00 30.54 O HETATM 1840 O HOH 82 89.740 -3.092 44.698 1.00 29.04 O HETATM 1841 O HOH 83 75.716 13.943 61.049 1.00 29.81 O HETATM 1842 O HOH 84 59.848 0.913 63.739 1.00 25.30 O HETATM 1843 O HOH 85 83.907 -2.308 70.920 1.00 31.36 O HETATM 1844 O HOH 86 88.550 8.821 53.453 1.00 18.83 O HETATM 1845 O HOH 87 82.083 14.623 52.001 1.00 38.45 O HETATM 1846 O HOH 88 54.585 -3.951 61.428 1.00 21.04 O HETATM 1847 O HOH 89 65.255 4.716 48.695 1.00 23.48 O HETATM 1848 O HOH 90 75.011 1.710 36.952 1.00 31.89 O HETATM 1849 O HOH 91 93.827 2.356 49.980 1.00 23.47 O HETATM 1850 O HOH 92 56.508 -14.926 44.031 1.00 36.16 O HETATM 1851 O HOH 93 80.003 0.975 72.643 1.00 33.27 O HETATM 1852 O HOH 94 78.936 11.764 63.318 1.00 22.64 O HETATM 1853 O HOH 95 78.007 -9.991 71.499 1.00 35.91 O HETATM 1854 O HOH 96 73.183 -9.136 59.450 1.00 23.30 O HETATM 1855 O HOH 97 53.335 0.268 55.445 1.00 34.02 O HETATM 1856 O HOH 98 73.485 9.439 71.345 1.00 30.09 O HETATM 1857 O HOH 99 90.738 -8.972 46.240 1.00 33.00 O HETATM 1858 O HOH 100 85.347 -12.984 52.143 1.00 27.20 O HETATM 1859 O HOH 101 82.138 -11.403 53.816 1.00 23.64 O HETATM 1860 O HOH 102 62.436 1.235 58.255 1.00 27.20 O HETATM 1861 O HOH 103 81.644 2.093 37.807 1.00 35.44 O HETATM 1862 O HOH 104 84.013 -8.191 61.061 1.00 21.38 O HETATM 1863 O HOH 105 70.921 11.502 60.965 1.00 25.00 O HETATM 1864 O HOH 106 65.209 4.284 53.662 1.00 21.30 O HETATM 1865 O HOH 107 92.423 0.219 49.289 1.00 27.72 O HETATM 1866 O HOH 108 77.553 -9.375 64.664 1.00 17.45 O HETATM 1867 O HOH 109 93.733 1.411 54.435 1.00 26.93 O HETATM 1868 O HOH 110 75.641 -11.027 64.861 1.00 24.29 O HETATM 1869 O HOH 111 94.167 -0.125 59.926 1.00 29.83 O HETATM 1870 O HOH 112 90.067 14.109 55.362 1.00 32.04 O HETATM 1871 O HOH 113 93.052 -11.215 50.208 1.00 29.56 O HETATM 1872 O HOH 114 75.871 -10.932 58.313 1.00 26.58 O HETATM 1873 O HOH 115 75.612 -9.963 48.892 1.00 18.03 O HETATM 1874 O HOH 116 80.396 -1.377 70.504 1.00 35.95 O HETATM 1875 O HOH 117 79.165 14.826 50.400 1.00 41.73 O HETATM 1876 O HOH 118 91.235 -1.565 54.356 1.00 23.87 O HETATM 1877 O HOH 119 95.449 2.021 61.430 1.00 38.13 O HETATM 1878 O HOH 120 85.547 6.345 66.046 1.00 33.35 O HETATM 1879 O HOH 121 79.000 -5.964 70.628 1.00 30.63 O HETATM 1880 O HOH 122 83.828 11.878 50.444 1.00 27.77 O HETATM 1881 O HOH 123 80.286 -6.388 44.854 1.00 20.40 O HETATM 1882 O HOH 124 67.655 8.537 54.734 1.00 23.60 O HETATM 1883 O HOH 125 69.912 -11.913 73.429 1.00 23.87 O HETATM 1884 O HOH 126 82.051 -11.436 58.554 1.00 26.02 O HETATM 1885 O HOH 127 79.052 -8.669 66.799 1.00 21.73 O HETATM 1886 O HOH 128 92.810 -8.157 54.478 1.00 26.00 O HETATM 1887 O HOH 129 86.597 -4.495 40.360 1.00 38.67 O HETATM 1888 O HOH 130 77.648 -11.234 60.611 1.00 22.51 O HETATM 1889 O HOH 131 80.557 12.162 46.459 1.00 36.00 O HETATM 1890 O HOH 132 87.406 11.173 52.450 1.00 24.29 O HETATM 1891 O HOH 133 83.609 3.566 63.836 1.00 28.65 O HETATM 1892 O HOH 134 85.706 3.684 65.182 1.00 30.30 O HETATM 1893 O HOH 135 79.594 -12.517 59.051 1.00 28.01 O HETATM 1894 O HOH 136 83.470 0.712 64.108 1.00 31.24 O HETATM 1895 O HOH 137 53.513 -26.033 52.341 1.00 39.23 O HETATM 1896 O HOH 138 50.242 -15.867 63.036 1.00 30.43 O HETATM 1897 O HOH 139 69.555 -13.739 46.451 1.00 31.39 O HETATM 1898 O HOH 140 73.095 -26.265 64.956 1.00 24.03 O HETATM 1899 O HOH 141 63.959 -26.947 66.787 1.00 22.12 O HETATM 1900 O HOH 142 67.174 -26.961 56.771 1.00 17.64 O HETATM 1901 O HOH 143 74.706 -17.978 69.108 1.00 22.24 O HETATM 1902 O HOH 144 50.762 -14.264 66.219 1.00 31.89 O HETATM 1903 O HOH 145 60.649 -32.016 60.300 1.00 31.97 O HETATM 1904 O HOH 146 70.842 -30.822 60.904 1.00 19.74 O HETATM 1905 O HOH 147 49.507 -23.780 60.566 1.00 30.10 O HETATM 1906 O HOH 148 48.476 -24.890 58.896 1.00 34.66 O HETATM 1907 O HOH 149 64.627 10.181 60.381 1.00 33.28 O HETATM 1908 O HOH 150 65.937 -22.822 55.182 1.00 23.83 O HETATM 1909 O HOH 151 60.930 6.147 58.588 1.00 33.12 O HETATM 1910 O HOH 152 68.485 -27.415 65.038 1.00 21.25 O HETATM 1911 O HOH 153 57.723 -4.953 64.600 1.00 16.26 O HETATM 1912 O HOH 154 68.643 -17.455 77.312 1.00 32.42 O HETATM 1913 O HOH 155 54.861 -7.174 66.274 1.00 23.76 O HETATM 1914 O HOH 156 70.482 -20.368 70.334 1.00 15.00 O HETATM 1915 O HOH 157 67.388 -21.751 76.195 1.00 24.81 O HETATM 1916 O HOH 158 69.528 -14.207 72.257 1.00 12.51 O HETATM 1917 O HOH 159 73.665 -18.546 62.340 1.00 17.76 O HETATM 1918 O HOH 160 62.043 -21.790 75.136 1.00 16.02 O HETATM 1919 O HOH 161 72.388 -21.834 73.117 1.00 35.41 O HETATM 1920 O HOH 162 54.295 -17.838 69.695 1.00 23.84 O HETATM 1921 O HOH 163 64.408 -28.428 62.873 1.00 21.08 O HETATM 1922 O HOH 164 62.010 -24.714 68.844 1.00 13.13 O HETATM 1923 O HOH 165 68.104 -10.845 74.814 1.00 27.09 O HETATM 1924 O HOH 166 51.788 -9.908 66.823 1.00 29.70 O HETATM 1925 O HOH 167 51.997 -21.225 51.983 1.00 30.53 O HETATM 1926 O HOH 168 74.813 -12.869 63.221 1.00 21.30 O HETATM 1927 O HOH 169 58.506 -19.181 53.757 1.00 29.24 O HETATM 1928 O HOH 170 60.154 -3.644 64.474 1.00 18.34 O HETATM 1929 O HOH 171 73.554 -8.991 47.368 1.00 22.03 O HETATM 1930 O HOH 172 71.084 -18.184 61.684 1.00 13.49 O HETATM 1931 O HOH 173 53.118 -20.685 65.843 1.00 19.15 O HETATM 1932 O HOH 174 65.555 -23.568 75.195 1.00 24.47 O HETATM 1933 O HOH 175 61.565 -19.744 73.227 1.00 13.78 O HETATM 1934 O HOH 176 53.045 -28.677 65.155 1.00 28.65 O HETATM 1935 O HOH 177 57.712 -5.969 61.783 1.00 13.65 O HETATM 1936 O HOH 178 75.097 -10.771 51.460 1.00 18.50 O HETATM 1937 O HOH 179 50.968 -18.185 61.797 1.00 27.05 O HETATM 1938 O HOH 180 57.730 -1.810 67.165 1.00 24.63 O HETATM 1939 O HOH 181 53.108 -6.221 60.828 1.00 24.80 O HETATM 1940 O HOH 182 54.070 -24.221 54.543 1.00 25.30 O HETATM 1941 O HOH 183 60.349 -5.695 71.389 1.00 18.66 O HETATM 1942 O HOH 184 71.280 -30.500 68.425 1.00 39.98 O HETATM 1943 O HOH 185 70.319 -26.857 63.062 1.00 17.03 O HETATM 1944 O HOH 186 57.692 -29.556 53.370 1.00 41.20 O HETATM 1945 O HOH 187 58.488 -12.622 78.529 1.00 30.94 O HETATM 1946 O HOH 188 74.635 -19.802 67.070 1.00 17.22 O HETATM 1947 O HOH 189 64.053 3.212 58.785 1.00 19.60 O HETATM 1948 O HOH 190 54.275 -8.661 56.794 1.00 18.78 O HETATM 1949 O HOH 191 49.712 -20.565 58.593 1.00 26.51 O HETATM 1950 O HOH 192 61.263 -24.458 54.900 1.00 25.16 O HETATM 1951 O HOH 193 71.511 -26.147 57.248 1.00 13.01 O HETATM 1952 O HOH 194 51.989 -16.900 51.358 1.00 30.74 O HETATM 1953 O HOH 195 53.541 -6.187 64.406 1.00 29.47 O HETATM 1954 O HOH 196 71.904 -20.326 75.963 1.00 36.66 O HETATM 1955 O HOH 197 55.512 -22.358 52.992 1.00 27.37 O HETATM 1956 O HOH 198 50.875 -8.745 60.919 1.00 27.91 O HETATM 1957 O HOH 199 73.307 -14.706 56.734 1.00 15.87 O HETATM 1958 O HOH 200 53.128 -25.595 61.910 1.00 26.48 O HETATM 1959 O HOH 201 63.726 -16.322 79.797 1.00 28.35 O HETATM 1960 O HOH 202 72.415 -17.893 72.989 1.00 22.27 O HETATM 1961 O HOH 203 54.541 -30.911 58.410 1.00 28.44 O HETATM 1962 O HOH 204 78.101 -23.835 66.951 1.00 26.66 O HETATM 1963 O HOH 205 70.084 -14.844 50.903 1.00 20.48 O HETATM 1964 O HOH 206 64.607 -26.851 71.460 1.00 22.41 O HETATM 1965 O HOH 207 61.539 -10.338 74.691 1.00 24.30 O HETATM 1966 O HOH 208 66.841 -13.939 45.850 1.00 28.35 O HETATM 1967 O HOH 209 70.251 -25.003 55.123 1.00 15.72 O HETATM 1968 O HOH 210 52.129 -15.950 70.118 1.00 36.02 O HETATM 1969 O HOH 211 55.032 -15.092 55.410 1.00 17.07 O HETATM 1970 O HOH 212 59.255 -17.868 50.370 1.00 30.54 O HETATM 1971 O HOH 213 67.138 -25.694 74.209 1.00 29.04 O HETATM 1972 O HOH 214 50.103 -11.670 57.858 1.00 29.81 O HETATM 1973 O HOH 215 63.133 4.198 55.169 1.00 25.30 O HETATM 1974 O HOH 216 66.354 -19.861 47.987 1.00 31.36 O HETATM 1975 O HOH 217 55.225 -24.504 65.454 1.00 18.83 O HETATM 1976 O HOH 218 49.423 -18.037 66.906 1.00 38.45 O HETATM 1977 O HOH 219 67.997 9.461 57.480 1.00 21.04 O HETATM 1978 O HOH 220 59.330 -1.209 70.213 1.00 23.48 O HETATM 1979 O HOH 221 62.336 -10.965 81.956 1.00 31.89 O HETATM 1980 O HOH 222 61.690 -29.781 68.928 1.00 23.47 O HETATM 1981 O HOH 223 78.972 7.538 74.876 1.00 36.16 O HETATM 1982 O HOH 224 63.071 -15.957 46.264 1.00 33.27 O HETATM 1983 O HOH 225 52.282 -14.890 55.590 1.00 22.64 O HETATM 1984 O HOH 226 74.037 -13.961 47.409 1.00 35.91 O HETATM 1985 O HOH 227 63.778 10.711 63.462 1.00 34.02 O HETATM 1986 O HOH 228 73.018 -26.692 72.667 1.00 33.00 O HETATM 1987 O HOH 229 77.030 -21.301 66.764 1.00 27.20 O HETATM 1988 O HOH 230 75.449 -18.092 65.091 1.00 23.64 O HETATM 1989 O HOH 231 62.811 1.610 60.652 1.00 27.20 O HETATM 1990 O HOH 232 61.953 -17.598 81.100 1.00 35.44 O HETATM 1991 O HOH 233 72.237 -19.967 57.846 1.00 21.38 O HETATM 1992 O HOH 234 52.544 -6.875 57.942 1.00 25.00 O HETATM 1993 O HOH 235 59.762 -1.163 65.245 1.00 21.30 O HETATM 1994 O HOH 236 63.827 -28.377 69.618 1.00 27.72 O HETATM 1995 O HOH 237 73.421 -13.507 54.243 1.00 17.45 O HETATM 1996 O HOH 238 62.635 -29.687 64.472 1.00 26.93 O HETATM 1997 O HOH 239 75.073 -11.595 54.046 1.00 24.29 O HETATM 1998 O HOH 240 64.171 -30.121 58.981 1.00 29.83 O HETATM 1999 O HOH 241 49.937 -26.021 63.545 1.00 32.04 O HETATM 2000 O HOH 242 75.261 -29.006 68.700 1.00 29.56 O HETATM 2001 O HOH 243 74.978 -11.825 60.594 1.00 26.58 O HETATM 2002 O HOH 244 74.009 -11.566 70.016 1.00 18.03 O HETATM 2003 O HOH 245 65.423 -16.350 48.403 1.00 35.95 O HETATM 2004 O HOH 246 49.220 -15.119 68.507 1.00 41.73 O HETATM 2005 O HOH 247 65.611 -27.189 64.552 1.00 23.87 O HETATM 2006 O HOH 248 62.025 -31.403 57.477 1.00 38.13 O HETATM 2007 O HOH 249 57.701 -21.501 52.861 1.00 33.35 O HETATM 2008 O HOH 250 70.010 -14.954 48.279 1.00 30.63 O HETATM 2009 O HOH 251 52.168 -19.782 68.463 1.00 27.77 O HETATM 2010 O HOH 252 70.434 -16.240 74.053 1.00 20.40 O HETATM 2011 O HOH 253 55.509 -3.609 64.173 1.00 23.60 O HETATM 2012 O HOH 254 75.959 -5.866 45.478 1.00 23.87 O HETATM 2013 O HOH 255 75.482 -18.005 60.353 1.00 26.02 O HETATM 2014 O HOH 256 72.715 -15.006 52.108 1.00 21.73 O HETATM 2015 O HOH 257 72.203 -28.764 64.429 1.00 26.00 O HETATM 2016 O HOH 258 68.541 -22.551 78.547 1.00 38.67 O HETATM 2017 O HOH 259 75.280 -13.602 58.297 1.00 22.51 O HETATM 2018 O HOH 260 51.884 -16.511 72.448 1.00 36.00 O HETATM 2019 O HOH 261 52.873 -23.360 66.457 1.00 24.29 O HETATM 2020 O HOH 262 60.480 -19.563 55.072 1.00 28.65 O HETATM 2021 O HOH 263 60.362 -21.660 53.725 1.00 30.30 O HETATM 2022 O HOH 264 76.563 -15.548 59.856 1.00 28.01 O HETATM 2023 O HOH 265 63.334 -19.424 54.799 1.00 31.24 O HETATM 2024 C01 B A 7 58.591 -13.045 46.722 1.00 -0.06 C HETATM 2025 C02 B A 7 59.076 -13.624 45.559 1.00 0.02 C HETATM 2026 C03 B A 7 59.404 -12.836 44.466 1.00 -0.06 C HETATM 2027 C04 B A 7 59.251 -11.459 44.538 1.00 -0.03 C HETATM 2028 C05 B A 7 58.768 -10.877 45.702 1.00 0.09 C HETATM 2029 C06 B A 7 58.439 -11.666 46.795 1.00 -0.03 C HETATM 2030 H4 B A 7 58.065 -11.208 47.703 1.00 0.06 H HETATM 2031 O13 B A 7 58.607 -9.518 45.777 1.00 -0.32 O HETATM 2032 C14 B A 7 58.308 -8.948 46.995 1.00 0.07 C HETATM 2033 C15 B A 7 57.822 -7.536 47.001 1.00 -0.02 C HETATM 2034 C16 B A 7 58.842 -6.448 46.887 1.00 -0.05 C HETATM 2035 C17 B A 7 58.570 -5.196 47.665 1.00 -0.05 C HETATM 2036 C18 B A 7 59.746 -4.393 48.139 1.00 -0.05 C HETATM 2037 C19 B A 7 60.258 -3.315 47.230 1.00 -0.02 C HETATM 2038 C20 B A 7 61.664 -2.850 47.436 1.00 0.07 C HETATM 2039 O21 B A 7 62.651 -3.801 47.628 1.00 -0.32 O HETATM 2040 C07 B A 7 63.868 -3.570 47.029 1.00 0.09 C HETATM 2041 C08 B A 7 64.497 -4.559 46.288 1.00 -0.03 C HETATM 2042 C09 B A 7 65.721 -4.292 45.691 1.00 -0.06 C HETATM 2043 C10 B A 7 66.300 -3.037 45.831 1.00 0.02 C HETATM 2044 C11 B A 7 65.662 -2.052 46.564 1.00 -0.06 C HETATM 2045 C12 B A 7 64.446 -2.320 47.164 1.00 -0.03 C HETATM 2046 H8 B A 7 63.945 -1.551 47.740 1.00 0.06 H HETATM 2047 H7 B A 7 66.115 -1.073 46.667 1.00 0.06 H HETATM 2048 C23 B A 7 67.605 -2.724 45.193 1.00 0.13 C HETATM 2049 N28 B A 7 67.988 -1.500 44.803 1.00 -0.26 N HETATM 2050 C29 B A 7 69.221 -1.594 44.273 1.00 0.03 C HETATM 2051 C30 B A 7 69.601 -2.932 44.341 1.00 -0.02 C HETATM 2052 N31 B A 7 68.581 -3.600 44.918 1.00 -0.33 N HETATM 2053 H28 B A 7 70.542 -3.358 43.995 1.00 0.05 H HETATM 2054 H27 B A 7 69.812 -0.775 43.866 1.00 0.09 H HETATM 2055 H26 B A 7 67.434 -0.636 44.894 1.00 0.24 H HETATM 2056 H6 B A 7 66.224 -5.061 45.117 1.00 0.06 H HETATM 2057 H5 B A 7 64.036 -5.534 46.176 1.00 0.06 H HETATM 2058 H21 B A 7 61.664 -2.198 48.322 1.00 0.06 H HETATM 2059 H22 B A 7 61.946 -2.264 46.549 1.00 0.06 H HETATM 2060 H19 B A 7 59.601 -2.441 47.352 1.00 0.03 H HETATM 2061 H20 B A 7 60.183 -3.690 46.199 1.00 0.03 H HETATM 2062 H17 B A 7 60.574 -5.095 48.318 1.00 0.03 H HETATM 2063 H18 B A 7 59.459 -3.916 49.087 1.00 0.03 H HETATM 2064 H15 B A 7 57.990 -5.483 48.554 1.00 0.03 H HETATM 2065 H16 B A 7 57.961 -4.539 47.026 1.00 0.03 H HETATM 2066 H13 B A 7 58.920 -6.172 45.825 1.00 0.03 H HETATM 2067 H14 B A 7 59.804 -6.854 47.232 1.00 0.03 H HETATM 2068 H11 B A 7 57.279 -7.380 47.945 1.00 0.03 H HETATM 2069 H12 B A 7 57.127 -7.424 46.156 1.00 0.03 H HETATM 2070 H9 B A 7 59.221 -8.983 47.607 1.00 0.06 H HETATM 2071 H10 B A 7 57.528 -9.566 47.464 1.00 0.06 H HETATM 2072 H3 B A 7 59.508 -10.839 43.687 1.00 0.06 H HETATM 2073 H2 B A 7 59.779 -13.295 43.558 1.00 0.06 H HETATM 2074 C22 B A 7 59.248 -15.107 45.469 1.00 0.13 C HETATM 2075 N24 B A 7 59.468 -15.789 44.335 1.00 -0.26 N HETATM 2076 C25 B A 7 59.569 -17.095 44.652 1.00 0.03 C HETATM 2077 C26 B A 7 59.398 -17.206 46.030 1.00 -0.02 C HETATM 2078 N27 B A 7 59.205 -15.959 46.502 1.00 -0.33 N HETATM 2079 H25 B A 7 59.417 -18.125 46.614 1.00 0.05 H HETATM 2080 H24 B A 7 59.751 -17.914 43.958 1.00 0.09 H HETATM 2081 H23 B A 7 59.546 -15.386 43.390 1.00 0.24 H HETATM 2082 H1 B A 7 58.331 -13.666 47.571 1.00 0.06 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 177 176 1759 CONECT 207 206 1759 CONECT 222 221 1759 CONECT 255 254 1759 CONECT 612 611 1760 CONECT 629 628 1760 CONECT 643 642 1760 CONECT 654 653 1760 CONECT 880 881 888 889 890 CONECT 888 880 CONECT 889 880 CONECT 890 880 CONECT 1056 1055 1761 CONECT 1086 1085 1761 CONECT 1101 1100 1761 CONECT 1134 1133 1761 CONECT 1491 1490 1762 CONECT 1508 1507 1762 CONECT 1522 1521 1762 CONECT 1533 1532 1762 CONECT 1759 177 207 222 255 CONECT 1760 612 629 643 654 CONECT 1761 1056 1086 1101 1134 CONECT 1762 1491 1508 1522 1533 CONECT 2024 2025 2029 2082 CONECT 2025 2024 2026 2074 CONECT 2026 2025 2027 2073 CONECT 2027 2026 2028 2072 CONECT 2028 2027 2029 2031 CONECT 2029 2024 2028 2030 CONECT 2030 2029 CONECT 2031 2028 2032 CONECT 2032 2031 2033 2070 2071 CONECT 2033 2032 2034 2068 2069 CONECT 2034 2033 2035 2066 2067 CONECT 2035 2034 2036 2064 2065 CONECT 2036 2035 2037 2062 2063 CONECT 2037 2036 2038 2060 2061 CONECT 2038 2037 2039 2058 2059 CONECT 2039 2038 2040 CONECT 2040 2039 2041 2045 CONECT 2041 2040 2042 2057 CONECT 2042 2041 2043 2056 CONECT 2043 2042 2044 2048 CONECT 2044 2043 2045 2047 CONECT 2045 2040 2044 2046 CONECT 2046 2045 CONECT 2047 2044 CONECT 2048 2043 2049 2052 CONECT 2049 2048 2050 2055 CONECT 2050 2049 2051 2054 CONECT 2051 2050 2052 2053 CONECT 2052 2048 2051 CONECT 2053 2051 CONECT 2054 2050 CONECT 2055 2049 CONECT 2056 2042 CONECT 2057 2041 CONECT 2058 2038 CONECT 2059 2038 CONECT 2060 2037 CONECT 2061 2037 CONECT 2062 2036 CONECT 2063 2036 CONECT 2064 2035 CONECT 2065 2035 CONECT 2066 2034 CONECT 2067 2034 CONECT 2068 2033 CONECT 2069 2033 CONECT 2070 2032 CONECT 2071 2032 CONECT 2072 2027 CONECT 2073 2026 CONECT 2074 2025 2075 2078 CONECT 2075 2074 2076 2081 CONECT 2076 2075 2077 2080 CONECT 2077 2076 2078 2079 CONECT 2078 2074 2077 CONECT 2079 2077 CONECT 2080 2076 CONECT 2081 2075 CONECT 2082 2024 MASTER 0 0 0 0 0 0 0 0 2080 2 87 14 END
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Structure:
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Related entries of code: 5dkn
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Protein Sequence Similarity
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92aa, >3CR5_1|Chain... at 95%
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92aa, >3GK1_1|Chain... at 95%
3gk2
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92aa, >3GK2_1|Chain... at 95%
3gk4
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92aa, >3GK4_1|Chain... at 95%
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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
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92aa, >5DKR_1|Chains... at 95%
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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
5dkn
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Calcium-loaded S100B
Ligand Name
B7I
EC.Number
E.C.-.-.-.-
Resolution
1.53(Å)
Affinity (Kd/Ki/IC50)
Kd=202.6uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 592-608
Ligand Properties
Formula
C
2
5
H
2
8
N
4
O
2
Molecular Weight
416.515
Exact Mass
416.221
No. of atoms
59
No. of bonds
62
Polar Surface Area
75.82
LOGP Value
5.13 (
Computed with XLOGP3
)
5.88 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
C(CCCOc1ccc(cc1)c1ncc[nH]1)CCCOc1ccc(cc1)c1ncc[nH]1
InChI String
InChI=1S/C25H28N4O2/c1(2-4-18-30-22-10-6-20(7-11-22)24-26-14-15-27-24)3-5-19-31-23-12-8-21(9-13-23)25-28-16-17-29-25/h6-17H,1-5,18-19H2,(H,26,27)(H,28,29)
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
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