Browse entries in the PDBbind-CN Database
HEADER 6MIL_COMPLEX COMPND 6MIL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 MET ALA SER SER CYS ALA VAL GLN VAL LYS LEU GLU LEU SEQRES 2 A 138 GLY HIS ARG ALA GLN VAL ARG LYS LYS PRO THR VAL GLU SEQRES 3 A 138 GLY PHE THR HIS ASP TRP MET VAL PHE VAL ARG GLY PRO SEQRES 4 A 138 GLU HIS SER ASN ILE GLN HIS PHE VAL GLU LYS VAL VAL SEQRES 5 A 138 PHE HIS LEU HIS GLU SER PHE PRO ARG PRO LYS ARG VAL SEQRES 6 A 138 CYS LYS ASP PRO PRO TYR LYS VAL GLU GLU SER GLY TYR SEQRES 7 A 138 ALA GLY PHE ILE LEU PRO ILE GLU VAL TYR PHE LYS ASN SEQRES 8 A 138 LYS GLU GLU PRO ARG LYS VAL ARG PHE ASP TYR ASP LEU SEQRES 9 A 138 PHE LEU HIS LEU GLU GLY HIS PRO PRO VAL ASN HIS LEU SEQRES 10 A 138 ARG CYS GLU LYS LEU THR PHE ASN ASN PRO THR GLU ASP SEQRES 11 A 138 PHE ARG ARG LYS LEU LEU LYS ALA HET LYS A 282 133 ATOM 1 N MET A 1 -17.431 -19.769 26.937 1.00 79.31 N ATOM 2 CA MET A 1 -16.195 -19.895 26.164 1.00 85.52 C ATOM 3 C MET A 1 -16.345 -19.405 24.721 1.00 74.64 C ATOM 4 O MET A 1 -16.414 -20.208 23.790 1.00 73.91 O ATOM 5 CB MET A 1 -15.717 -21.348 26.170 1.00 95.95 C ATOM 6 CG MET A 1 -14.787 -21.681 27.320 1.00104.46 C ATOM 7 SD MET A 1 -13.217 -20.810 27.158 1.00103.27 S ATOM 8 CE MET A 1 -12.805 -21.218 25.466 1.00103.58 C ATOM 9 HN3 MET A 1 -18.180 -20.332 26.486 1.00 0.00 H ATOM 10 HN2 MET A 1 -17.719 -18.770 26.968 1.00 0.00 H ATOM 11 HN1 MET A 1 -17.270 -20.115 27.904 1.00 0.00 H ATOM 12 N ALA A 2 -16.363 -18.079 24.549 1.00 64.01 N ATOM 13 CA ALA A 2 -16.620 -17.475 23.244 1.00 57.50 C ATOM 14 C ALA A 2 -15.383 -17.407 22.347 1.00 62.14 C ATOM 15 O ALA A 2 -15.506 -17.523 21.121 1.00 64.39 O ATOM 16 CB ALA A 2 -17.168 -16.066 23.428 1.00 47.65 C ATOM 17 H ALA A 2 -16.189 -17.461 25.367 1.00 0.00 H ATOM 18 N SER A 3 -14.201 -17.207 22.927 1.00 41.13 N ATOM 19 CA SER A 3 -13.013 -16.911 22.135 1.00 39.17 C ATOM 20 C SER A 3 -12.636 -18.087 21.247 1.00 41.38 C ATOM 21 O SER A 3 -12.947 -19.245 21.539 1.00 44.31 O ATOM 22 CB SER A 3 -11.841 -16.553 23.048 1.00 50.16 C ATOM 23 OG SER A 3 -11.441 -17.661 23.831 1.00 52.94 O ATOM 24 HG SER A 3 -11.162 -18.401 23.235 1.00 0.00 H ATOM 25 H SER A 3 -14.124 -17.263 23.963 1.00 0.00 H ATOM 26 N SER A 4 -11.950 -17.773 20.150 1.00 37.59 N ATOM 27 CA SER A 4 -11.472 -18.781 19.225 1.00 37.75 C ATOM 28 C SER A 4 -10.143 -18.302 18.662 1.00 35.36 C ATOM 29 O SER A 4 -9.822 -17.110 18.702 1.00 34.20 O ATOM 30 CB SER A 4 -12.476 -19.055 18.101 1.00 45.12 C ATOM 31 OG SER A 4 -12.804 -17.867 17.406 1.00 50.44 O ATOM 32 HG SER A 4 -13.205 -17.217 18.036 1.00 0.00 H ATOM 33 H SER A 4 -11.751 -16.772 19.950 1.00 0.00 H ATOM 34 N CYS A 5 -9.376 -19.248 18.140 1.00 35.04 N ATOM 35 CA CYS A 5 -7.988 -18.982 17.796 1.00 33.15 C ATOM 36 C CYS A 5 -7.624 -19.817 16.583 1.00 42.66 C ATOM 37 O CYS A 5 -7.958 -21.005 16.531 1.00 41.95 O ATOM 38 CB CYS A 5 -7.074 -19.333 18.975 1.00 46.15 C ATOM 39 SG CYS A 5 -5.339 -19.061 18.706 1.00 58.22 S ATOM 40 H CYS A 5 -9.772 -20.195 17.974 1.00 0.00 H ATOM 41 N ALA A 6 -6.969 -19.189 15.608 1.00 35.65 N ATOM 42 CA ALA A 6 -6.357 -19.886 14.485 1.00 35.10 C ATOM 43 C ALA A 6 -4.867 -19.613 14.540 1.00 36.18 C ATOM 44 O ALA A 6 -4.454 -18.458 14.679 1.00 33.84 O ATOM 45 CB ALA A 6 -6.930 -19.426 13.145 1.00 38.94 C ATOM 46 H ALA A 6 -6.891 -18.153 15.651 1.00 0.00 H ATOM 47 N VAL A 7 -4.068 -20.673 14.455 1.00 30.60 N ATOM 48 CA VAL A 7 -2.619 -20.588 14.540 1.00 29.06 C ATOM 49 C VAL A 7 -2.051 -21.037 13.198 1.00 29.56 C ATOM 50 O VAL A 7 -2.415 -22.107 12.700 1.00 33.31 O ATOM 51 CB VAL A 7 -2.075 -21.455 15.691 1.00 31.09 C ATOM 52 CG1 VAL A 7 -0.558 -21.429 15.717 1.00 39.15 C ATOM 53 CG2 VAL A 7 -2.631 -20.994 17.013 1.00 36.04 C ATOM 54 H VAL A 7 -4.501 -21.609 14.321 1.00 0.00 H ATOM 55 N GLN A 8 -1.198 -20.210 12.599 1.00 33.27 N ATOM 56 CA GLN A 8 -0.456 -20.593 11.401 1.00 32.20 C ATOM 57 C GLN A 8 1.008 -20.805 11.751 1.00 27.44 C ATOM 58 O GLN A 8 1.572 -20.064 12.558 1.00 34.14 O ATOM 59 CB GLN A 8 -0.547 -19.537 10.302 1.00 35.91 C ATOM 60 CG GLN A 8 -1.953 -19.170 9.877 1.00 52.49 C ATOM 61 CD GLN A 8 -1.961 -18.391 8.580 1.00 68.73 C ATOM 62 OE1 GLN A 8 -1.029 -18.493 7.779 1.00 71.92 O ATOM 63 NE2 GLN A 8 -3.009 -17.603 8.365 1.00 74.58 N ATOM 64 HE22 GLN A 8 -3.772 -17.549 9.070 1.00 0.00 H ATOM 65 HE21 GLN A 8 -3.066 -17.040 7.492 1.00 0.00 H ATOM 66 H GLN A 8 -1.055 -19.260 12.997 1.00 0.00 H ATOM 67 N VAL A 9 1.621 -21.823 11.151 1.00 32.51 N ATOM 68 CA VAL A 9 3.063 -22.030 11.246 1.00 28.27 C ATOM 69 C VAL A 9 3.608 -22.246 9.840 1.00 33.45 C ATOM 70 O VAL A 9 2.982 -22.926 9.019 1.00 31.23 O ATOM 71 CB VAL A 9 3.441 -23.220 12.157 1.00 39.68 C ATOM 72 CG1 VAL A 9 3.128 -22.908 13.627 1.00 38.40 C ATOM 73 CG2 VAL A 9 2.738 -24.491 11.706 1.00 47.95 C ATOM 74 H VAL A 9 1.053 -22.494 10.595 1.00 0.00 H ATOM 75 N LYS A 10 4.769 -21.654 9.569 1.00 33.08 N ATOM 76 CA LYS A 10 5.438 -21.773 8.281 1.00 29.57 C ATOM 77 C LYS A 10 6.462 -22.896 8.344 1.00 34.65 C ATOM 78 O LYS A 10 7.210 -23.013 9.317 1.00 29.68 O ATOM 79 CB LYS A 10 6.145 -20.469 7.907 1.00 34.56 C ATOM 80 CG LYS A 10 5.271 -19.290 7.519 1.00 40.11 C ATOM 81 CD LYS A 10 5.898 -18.022 8.096 1.00 48.71 C ATOM 82 CE LYS A 10 5.325 -16.745 7.526 1.00 55.89 C ATOM 83 NZ LYS A 10 5.989 -15.579 8.173 1.00 69.28 N ATOM 84 HZ1 LYS A 10 5.820 -15.611 9.199 1.00 0.00 H ATOM 85 HZ2 LYS A 10 7.012 -15.617 7.987 1.00 0.00 H ATOM 86 HZ3 LYS A 10 5.597 -14.698 7.783 1.00 0.00 H ATOM 87 H LYS A 10 5.219 -21.080 10.311 1.00 0.00 H ATOM 88 N LEU A 11 6.485 -23.725 7.308 1.00 26.30 N ATOM 89 CA LEU A 11 7.498 -24.754 7.158 1.00 33.46 C ATOM 90 C LEU A 11 8.290 -24.473 5.895 1.00 34.48 C ATOM 91 O LEU A 11 7.748 -23.976 4.908 1.00 28.63 O ATOM 92 CB LEU A 11 6.891 -26.157 7.051 1.00 33.30 C ATOM 93 CG LEU A 11 6.273 -26.781 8.292 1.00 36.02 C ATOM 94 CD1 LEU A 11 5.903 -28.214 8.008 1.00 26.06 C ATOM 95 CD2 LEU A 11 7.235 -26.681 9.459 1.00 31.52 C ATOM 96 H LEU A 11 5.751 -23.634 6.577 1.00 0.00 H ATOM 97 N GLU A 12 9.571 -24.795 5.930 1.00 29.92 N ATOM 98 CA GLU A 12 10.397 -24.770 4.733 1.00 33.92 C ATOM 99 C GLU A 12 10.812 -26.194 4.404 1.00 32.81 C ATOM 100 O GLU A 12 11.385 -26.889 5.250 1.00 31.69 O ATOM 101 CB GLU A 12 11.609 -23.858 4.922 1.00 35.27 C ATOM 102 CG GLU A 12 11.190 -22.390 5.017 1.00 31.77 C ATOM 103 CD GLU A 12 12.354 -21.419 4.900 1.00 41.22 C ATOM 104 OE1 GLU A 12 13.521 -21.863 4.937 1.00 37.55 O ATOM 105 OE2 GLU A 12 12.093 -20.204 4.778 1.00 55.32 O ATOM 106 H GLU A 12 9.999 -25.073 6.836 1.00 0.00 H ATOM 107 N LEU A 13 10.478 -26.635 3.191 1.00 25.44 N ATOM 108 CA LEU A 13 10.946 -27.894 2.636 1.00 24.77 C ATOM 109 C LEU A 13 11.926 -27.562 1.526 1.00 30.45 C ATOM 110 O LEU A 13 11.747 -26.576 0.811 1.00 30.65 O ATOM 111 CB LEU A 13 9.810 -28.739 2.067 1.00 25.86 C ATOM 112 CG LEU A 13 8.969 -29.594 3.025 1.00 36.67 C ATOM 113 CD1 LEU A 13 8.476 -28.783 4.191 1.00 32.34 C ATOM 114 CD2 LEU A 13 7.802 -30.165 2.266 1.00 35.29 C ATOM 115 H LEU A 13 9.848 -26.046 2.610 1.00 0.00 H ATOM 116 N GLY A 14 12.962 -28.369 1.387 1.00 25.32 N ATOM 117 CA GLY A 14 13.889 -28.047 0.318 1.00 26.17 C ATOM 118 C GLY A 14 14.923 -29.129 0.153 1.00 25.98 C ATOM 119 O GLY A 14 14.979 -30.097 0.915 1.00 26.73 O ATOM 120 H GLY A 14 13.106 -29.190 2.009 1.00 0.00 H ATOM 121 N HIS A 15 15.774 -28.937 -0.849 1.00 26.77 N ATOM 122 CA HIS A 15 16.828 -29.912 -1.032 1.00 32.85 C ATOM 123 C HIS A 15 17.934 -29.292 -1.855 1.00 31.41 C ATOM 124 O HIS A 15 17.710 -28.342 -2.612 1.00 30.44 O ATOM 125 CB HIS A 15 16.312 -31.211 -1.683 1.00 29.89 C ATOM 126 CG HIS A 15 16.116 -31.130 -3.164 1.00 27.15 C ATOM 127 ND1 HIS A 15 15.158 -30.332 -3.749 1.00 24.72 N ATOM 128 CD2 HIS A 15 16.734 -31.783 -4.182 1.00 24.28 C ATOM 129 CE1 HIS A 15 15.205 -30.479 -5.062 1.00 24.77 C ATOM 130 NE2 HIS A 15 16.150 -31.357 -5.350 1.00 24.41 N ATOM 131 H HIS A 15 15.686 -28.115 -1.480 1.00 0.00 H ATOM 132 N ARG A 16 19.135 -29.820 -1.666 1.00 29.61 N ATOM 133 CA ARG A 16 20.278 -29.522 -2.509 1.00 31.35 C ATOM 134 C ARG A 16 20.702 -30.798 -3.219 1.00 29.98 C ATOM 135 O ARG A 16 20.494 -31.907 -2.716 1.00 35.80 O ATOM 136 CB ARG A 16 21.438 -28.941 -1.691 1.00 34.54 C ATOM 137 CG ARG A 16 21.105 -27.601 -1.040 1.00 48.36 C ATOM 138 CD ARG A 16 22.121 -27.206 0.019 1.00 60.67 C ATOM 139 NE ARG A 16 23.216 -26.403 -0.517 1.00 75.60 N ATOM 140 CZ ARG A 16 23.266 -25.076 -0.465 1.00 84.03 C ATOM 141 NH1 ARG A 16 24.304 -24.431 -0.976 1.00 84.74 N ATOM 142 NH2 ARG A 16 22.280 -24.393 0.100 1.00 89.32 N ATOM 143 HE ARG A 16 24.009 -26.902 -0.969 1.00 0.00 H ATOM 144 HH12 ARG A 16 24.342 -23.393 -0.935 1.00 0.00 H ATOM 145 HH11 ARG A 16 25.080 -24.963 -1.418 1.00 0.00 H ATOM 146 HH22 ARG A 16 22.322 -23.355 0.139 1.00 0.00 H ATOM 147 HH21 ARG A 16 21.464 -24.896 0.504 1.00 0.00 H ATOM 148 H ARG A 16 19.265 -30.481 -0.874 1.00 0.00 H ATOM 149 N ALA A 17 21.260 -30.640 -4.412 1.00 30.68 N ATOM 150 CA ALA A 17 21.771 -31.788 -5.159 1.00 31.82 C ATOM 151 C ALA A 17 22.916 -31.319 -6.023 1.00 31.93 C ATOM 152 O ALA A 17 22.788 -30.311 -6.722 1.00 36.85 O ATOM 153 CB ALA A 17 20.708 -32.441 -6.039 1.00 27.19 C ATOM 154 H ALA A 17 21.335 -29.687 -4.821 1.00 0.00 H ATOM 155 N GLN A 18 24.011 -32.064 -5.993 1.00 36.30 N ATOM 156 CA GLN A 18 25.195 -31.687 -6.737 1.00 37.20 C ATOM 157 C GLN A 18 25.835 -32.936 -7.321 1.00 38.94 C ATOM 158 O GLN A 18 25.815 -34.006 -6.710 1.00 37.97 O ATOM 159 CB GLN A 18 26.166 -30.922 -5.839 1.00 39.64 C ATOM 160 CG GLN A 18 27.541 -30.740 -6.417 1.00 59.30 C ATOM 161 CD GLN A 18 28.479 -30.191 -5.389 1.00 74.20 C ATOM 162 OE1 GLN A 18 28.085 -29.956 -4.244 1.00 76.46 O ATOM 163 NE2 GLN A 18 29.732 -29.981 -5.777 1.00 87.22 N ATOM 164 HE22 GLN A 18 30.017 -30.195 -6.754 1.00 0.00 H ATOM 165 HE21 GLN A 18 30.428 -29.603 -5.104 1.00 0.00 H ATOM 166 H GLN A 18 24.021 -32.935 -5.425 1.00 0.00 H ATOM 167 N VAL A 19 26.376 -32.800 -8.524 1.00 38.55 N ATOM 168 CA VAL A 19 27.064 -33.912 -9.167 1.00 38.64 C ATOM 169 C VAL A 19 28.344 -34.210 -8.414 1.00 36.72 C ATOM 170 O VAL A 19 29.110 -33.299 -8.073 1.00 40.84 O ATOM 171 CB VAL A 19 27.348 -33.575 -10.638 1.00 45.65 C ATOM 172 CG1 VAL A 19 28.217 -34.679 -11.308 1.00 39.14 C ATOM 173 CG2 VAL A 19 26.037 -33.368 -11.369 1.00 39.94 C ATOM 174 H VAL A 19 26.308 -31.886 -9.016 1.00 0.00 H ATOM 175 N ARG A 20 28.572 -35.479 -8.130 1.00 38.89 N ATOM 176 CA ARG A 20 29.810 -35.879 -7.488 1.00 41.71 C ATOM 177 C ARG A 20 30.979 -35.702 -8.457 1.00 49.68 C ATOM 178 O ARG A 20 30.876 -36.029 -9.645 1.00 50.55 O ATOM 179 CB ARG A 20 29.722 -37.334 -7.036 1.00 42.99 C ATOM 180 CG ARG A 20 28.605 -37.663 -6.094 1.00 41.21 C ATOM 181 CD ARG A 20 28.597 -39.155 -5.838 1.00 52.19 C ATOM 182 NE ARG A 20 29.935 -39.657 -5.512 1.00 45.88 N ATOM 183 CZ ARG A 20 30.424 -39.723 -4.275 1.00 47.34 C ATOM 184 NH1 ARG A 20 29.681 -39.320 -3.248 1.00 48.21 N ATOM 185 NH2 ARG A 20 31.647 -40.191 -4.059 1.00 50.57 N ATOM 186 HE ARG A 20 30.539 -39.981 -6.294 1.00 0.00 H ATOM 187 HH12 ARG A 20 30.060 -39.370 -2.281 1.00 0.00 H ATOM 188 HH11 ARG A 20 28.721 -38.955 -3.412 1.00 0.00 H ATOM 189 HH22 ARG A 20 32.022 -40.239 -3.090 1.00 0.00 H ATOM 190 HH21 ARG A 20 32.231 -40.509 -4.859 1.00 0.00 H ATOM 191 H ARG A 20 27.859 -36.197 -8.368 1.00 0.00 H ATOM 192 N LYS A 21 32.090 -35.163 -7.949 1.00 47.66 N ATOM 193 CA LYS A 21 33.320 -35.123 -8.742 1.00 51.01 C ATOM 194 C LYS A 21 33.651 -36.507 -9.295 1.00 52.41 C ATOM 195 O LYS A 21 33.923 -36.668 -10.491 1.00 50.82 O ATOM 196 CB LYS A 21 34.481 -34.586 -7.899 1.00 54.22 C ATOM 197 CG LYS A 21 34.316 -33.133 -7.458 1.00 62.87 C ATOM 198 CD LYS A 21 35.469 -32.654 -6.565 1.00 73.95 C ATOM 199 CE LYS A 21 35.324 -33.115 -5.108 1.00 77.67 C ATOM 200 NZ LYS A 21 34.114 -32.560 -4.406 1.00 74.65 N ATOM 201 HZ1 LYS A 21 34.167 -31.521 -4.395 1.00 0.00 H ATOM 202 HZ2 LYS A 21 33.255 -32.860 -4.910 1.00 0.00 H ATOM 203 HZ3 LYS A 21 34.087 -32.917 -3.430 1.00 0.00 H ATOM 204 H LYS A 21 32.082 -34.770 -6.986 1.00 0.00 H ATOM 205 N LYS A 22 33.602 -37.521 -8.438 1.00 51.00 N ATOM 206 CA LYS A 22 33.804 -38.911 -8.821 1.00 57.66 C ATOM 207 C LYS A 22 32.551 -39.699 -8.456 1.00 55.81 C ATOM 208 O LYS A 22 32.144 -39.697 -7.279 1.00 50.77 O ATOM 209 CB LYS A 22 35.049 -39.478 -8.122 1.00 60.37 C ATOM 210 CG LYS A 22 35.407 -40.916 -8.456 1.00 70.09 C ATOM 211 CD LYS A 22 36.826 -41.250 -7.962 1.00 77.10 C ATOM 212 CE LYS A 22 37.265 -42.645 -8.395 1.00 70.86 C ATOM 213 NZ LYS A 22 38.745 -42.751 -8.596 1.00 82.85 N ATOM 214 HZ1 LYS A 22 39.042 -42.080 -9.333 1.00 0.00 H ATOM 215 HZ2 LYS A 22 39.232 -42.526 -7.705 1.00 0.00 H ATOM 216 HZ3 LYS A 22 38.985 -43.719 -8.889 1.00 0.00 H ATOM 217 H LYS A 22 33.409 -37.310 -7.438 1.00 0.00 H ATOM 218 N PRO A 23 31.894 -40.357 -9.410 1.00 55.28 N ATOM 219 CA PRO A 23 30.732 -41.190 -9.068 1.00 52.64 C ATOM 220 C PRO A 23 31.098 -42.240 -8.029 1.00 55.25 C ATOM 221 O PRO A 23 32.267 -42.589 -7.850 1.00 53.74 O ATOM 222 CB PRO A 23 30.352 -41.843 -10.404 1.00 59.38 C ATOM 223 CG PRO A 23 30.954 -40.963 -11.460 1.00 60.67 C ATOM 224 CD PRO A 23 32.188 -40.363 -10.855 1.00 61.14 C ATOM 225 N THR A 24 30.082 -42.747 -7.330 1.00 50.72 N ATOM 226 CA THR A 24 30.334 -43.841 -6.405 1.00 53.58 C ATOM 227 C THR A 24 30.498 -45.157 -7.167 1.00 62.59 C ATOM 228 O THR A 24 30.353 -45.225 -8.391 1.00 63.20 O ATOM 229 CB THR A 24 29.211 -43.989 -5.388 1.00 55.34 C ATOM 230 OG1 THR A 24 28.112 -44.666 -6.009 1.00 56.79 O ATOM 231 CG2 THR A 24 28.760 -42.641 -4.854 1.00 53.04 C ATOM 232 HG1 THR A 24 28.407 -45.560 -6.316 1.00 0.00 H ATOM 233 H THR A 24 29.121 -42.365 -7.445 1.00 0.00 H ATOM 234 N VAL A 25 30.784 -46.225 -6.417 1.00 63.28 N ATOM 235 CA VAL A 25 31.011 -47.534 -7.022 1.00 67.82 C ATOM 236 C VAL A 25 29.743 -48.045 -7.690 1.00 67.47 C ATOM 237 O VAL A 25 29.789 -48.636 -8.778 1.00 70.95 O ATOM 238 CB VAL A 25 31.526 -48.523 -5.962 1.00 75.05 C ATOM 239 CG1 VAL A 25 31.652 -49.920 -6.552 1.00 78.75 C ATOM 240 CG2 VAL A 25 32.855 -48.048 -5.401 1.00 80.76 C ATOM 241 H VAL A 25 30.846 -46.122 -5.384 1.00 0.00 H ATOM 242 N GLU A 26 28.593 -47.830 -7.050 1.00 57.10 N ATOM 243 CA GLU A 26 27.309 -48.258 -7.591 1.00 57.91 C ATOM 244 C GLU A 26 26.897 -47.464 -8.822 1.00 59.73 C ATOM 245 O GLU A 26 25.875 -47.792 -9.435 1.00 59.55 O ATOM 246 CB GLU A 26 26.211 -48.126 -6.524 1.00 59.79 C ATOM 247 CG GLU A 26 26.521 -48.765 -5.169 1.00 67.95 C ATOM 248 CD GLU A 26 27.268 -47.835 -4.218 1.00 79.52 C ATOM 249 OE1 GLU A 26 27.776 -46.791 -4.672 1.00 70.89 O ATOM 250 OE2 GLU A 26 27.348 -48.149 -3.011 1.00 94.40 O ATOM 251 H GLU A 26 28.613 -47.340 -6.133 1.00 0.00 H ATOM 252 N GLY A 27 27.651 -46.433 -9.191 1.00 49.13 N ATOM 253 CA GLY A 27 27.225 -45.529 -10.239 1.00 53.91 C ATOM 254 C GLY A 27 26.372 -44.360 -9.787 1.00 52.19 C ATOM 255 O GLY A 27 25.699 -43.749 -10.624 1.00 51.99 O ATOM 256 H GLY A 27 28.563 -46.273 -8.718 1.00 0.00 H ATOM 257 N PHE A 28 26.369 -44.029 -8.494 1.00 48.62 N ATOM 258 CA PHE A 28 25.640 -42.852 -8.030 1.00 46.55 C ATOM 259 C PHE A 28 26.394 -41.601 -8.451 1.00 45.88 C ATOM 260 O PHE A 28 27.563 -41.420 -8.093 1.00 42.28 O ATOM 261 CB PHE A 28 25.455 -42.865 -6.511 1.00 40.12 C ATOM 262 CG PHE A 28 24.816 -44.107 -5.977 1.00 47.98 C ATOM 263 CD1 PHE A 28 23.997 -44.891 -6.773 1.00 46.17 C ATOM 264 CD2 PHE A 28 25.039 -44.492 -4.668 1.00 47.95 C ATOM 265 CE1 PHE A 28 23.416 -46.038 -6.270 1.00 40.73 C ATOM 266 CE2 PHE A 28 24.455 -45.634 -4.156 1.00 55.03 C ATOM 267 CZ PHE A 28 23.642 -46.409 -4.959 1.00 53.11 C ATOM 268 H PHE A 28 26.891 -44.615 -7.811 1.00 0.00 H ATOM 269 N THR A 29 25.718 -40.730 -9.194 1.00 37.88 N ATOM 270 CA THR A 29 26.342 -39.548 -9.771 1.00 37.87 C ATOM 271 C THR A 29 26.160 -38.286 -8.938 1.00 46.51 C ATOM 272 O THR A 29 26.888 -37.310 -9.156 1.00 37.03 O ATOM 273 CB THR A 29 25.772 -39.306 -11.169 1.00 51.92 C ATOM 274 OG1 THR A 29 24.338 -39.327 -11.096 1.00 40.15 O ATOM 275 CG2 THR A 29 26.233 -40.400 -12.124 1.00 38.68 C ATOM 276 HG1 THR A 29 23.961 -39.171 -11.998 1.00 0.00 H ATOM 277 H THR A 29 24.707 -40.899 -9.369 1.00 0.00 H ATOM 278 N HIS A 30 25.219 -38.283 -7.995 1.00 41.79 N ATOM 279 CA HIS A 30 24.825 -37.084 -7.275 1.00 42.13 C ATOM 280 C HIS A 30 24.870 -37.317 -5.777 1.00 38.10 C ATOM 281 O HIS A 30 24.531 -38.407 -5.304 1.00 37.32 O ATOM 282 CB HIS A 30 23.408 -36.661 -7.650 1.00 30.58 C ATOM 283 CG HIS A 30 23.290 -36.075 -9.019 1.00 31.89 C ATOM 284 ND1 HIS A 30 23.411 -36.827 -10.168 1.00 35.92 N ATOM 285 CD2 HIS A 30 23.048 -34.807 -9.421 1.00 31.84 C ATOM 286 CE1 HIS A 30 23.241 -36.045 -11.220 1.00 29.61 C ATOM 287 NE2 HIS A 30 23.019 -34.815 -10.793 1.00 32.84 N ATOM 288 H HIS A 30 24.745 -39.179 -7.764 1.00 0.00 H ATOM 289 N ASP A 31 25.279 -36.286 -5.038 1.00 35.69 N ATOM 290 CA ASP A 31 25.022 -36.186 -3.608 1.00 36.59 C ATOM 291 C ASP A 31 23.847 -35.244 -3.390 1.00 37.11 C ATOM 292 O ASP A 31 23.793 -34.157 -3.976 1.00 36.22 O ATOM 293 CB ASP A 31 26.223 -35.636 -2.838 1.00 42.72 C ATOM 294 CG ASP A 31 27.440 -36.532 -2.889 1.00 42.02 C ATOM 295 OD1 ASP A 31 27.297 -37.760 -3.062 1.00 44.27 O ATOM 296 OD2 ASP A 31 28.544 -35.981 -2.717 1.00 42.43 O ATOM 297 H ASP A 31 25.805 -35.519 -5.503 1.00 0.00 H ATOM 298 N TRP A 32 22.919 -35.634 -2.525 1.00 39.84 N ATOM 299 CA TRP A 32 21.797 -34.747 -2.283 1.00 28.75 C ATOM 300 C TRP A 32 21.395 -34.783 -0.819 1.00 34.13 C ATOM 301 O TRP A 32 21.718 -35.712 -0.074 1.00 30.49 O ATOM 302 CB TRP A 32 20.607 -35.072 -3.201 1.00 26.66 C ATOM 303 CG TRP A 32 20.041 -36.487 -3.161 1.00 28.69 C ATOM 304 CD1 TRP A 32 20.218 -37.458 -4.102 1.00 29.36 C ATOM 305 CD2 TRP A 32 19.137 -37.045 -2.179 1.00 36.76 C ATOM 306 NE1 TRP A 32 19.520 -38.587 -3.762 1.00 37.54 N ATOM 307 CE2 TRP A 32 18.849 -38.366 -2.585 1.00 34.23 C ATOM 308 CE3 TRP A 32 18.570 -36.568 -0.990 1.00 30.23 C ATOM 309 CZ2 TRP A 32 18.012 -39.215 -1.848 1.00 38.79 C ATOM 310 CZ3 TRP A 32 17.735 -37.421 -0.253 1.00 27.95 C ATOM 311 CH2 TRP A 32 17.465 -38.720 -0.689 1.00 31.60 C ATOM 312 HE1 TRP A 32 19.501 -39.471 -4.309 1.00 0.00 H ATOM 313 H TRP A 32 22.994 -36.548 -2.035 1.00 0.00 H ATOM 314 N MET A 33 20.702 -33.723 -0.414 1.00 27.70 N ATOM 315 CA MET A 33 20.235 -33.562 0.954 1.00 27.98 C ATOM 316 C MET A 33 18.880 -32.891 0.885 1.00 30.20 C ATOM 317 O MET A 33 18.741 -31.873 0.205 1.00 30.97 O ATOM 318 CB MET A 33 21.217 -32.724 1.782 1.00 36.43 C ATOM 319 CG MET A 33 20.816 -32.514 3.231 1.00 37.68 C ATOM 320 SD MET A 33 19.676 -31.129 3.425 1.00 36.37 S ATOM 321 CE MET A 33 20.689 -29.762 2.904 1.00 39.70 C ATOM 322 H MET A 33 20.485 -32.977 -1.105 1.00 0.00 H ATOM 323 N VAL A 34 17.887 -33.475 1.566 1.00 26.95 N ATOM 324 CA VAL A 34 16.520 -32.966 1.625 1.00 23.16 C ATOM 325 C VAL A 34 16.226 -32.660 3.085 1.00 27.95 C ATOM 326 O VAL A 34 16.788 -33.304 3.977 1.00 26.83 O ATOM 327 CB VAL A 34 15.497 -33.978 1.047 1.00 21.71 C ATOM 328 CG1 VAL A 34 15.500 -35.264 1.848 1.00 25.89 C ATOM 329 CG2 VAL A 34 14.096 -33.383 0.988 1.00 28.33 C ATOM 330 H VAL A 34 18.103 -34.349 2.087 1.00 0.00 H ATOM 331 N PHE A 35 15.368 -31.664 3.332 1.00 22.91 N ATOM 332 CA PHE A 35 15.159 -31.188 4.699 1.00 23.89 C ATOM 333 C PHE A 35 13.765 -30.615 4.894 1.00 24.76 C ATOM 334 O PHE A 35 13.079 -30.231 3.949 1.00 25.22 O ATOM 335 CB PHE A 35 16.165 -30.099 5.093 1.00 26.11 C ATOM 336 CG PHE A 35 16.059 -28.847 4.266 1.00 31.44 C ATOM 337 CD1 PHE A 35 15.206 -27.812 4.635 1.00 35.37 C ATOM 338 CD2 PHE A 35 16.825 -28.702 3.110 1.00 34.05 C ATOM 339 CE1 PHE A 35 15.112 -26.664 3.871 1.00 29.48 C ATOM 340 CE2 PHE A 35 16.741 -27.559 2.345 1.00 30.05 C ATOM 341 CZ PHE A 35 15.891 -26.541 2.717 1.00 36.25 C ATOM 342 H PHE A 35 14.846 -31.225 2.547 1.00 0.00 H ATOM 343 N VAL A 36 13.395 -30.520 6.167 1.00 29.19 N ATOM 344 CA VAL A 36 12.243 -29.771 6.641 1.00 22.93 C ATOM 345 C VAL A 36 12.726 -28.936 7.811 1.00 24.64 C ATOM 346 O VAL A 36 13.368 -29.459 8.730 1.00 30.60 O ATOM 347 CB VAL A 36 11.087 -30.687 7.085 1.00 23.46 C ATOM 348 CG1 VAL A 36 9.911 -29.845 7.581 1.00 21.56 C ATOM 349 CG2 VAL A 36 10.664 -31.591 5.938 1.00 23.85 C ATOM 350 H VAL A 36 13.971 -31.018 6.875 1.00 0.00 H ATOM 351 N ARG A 37 12.442 -27.642 7.768 1.00 24.66 N ATOM 352 CA ARG A 37 12.869 -26.746 8.826 1.00 27.64 C ATOM 353 C ARG A 37 11.850 -25.625 8.966 1.00 26.30 C ATOM 354 O ARG A 37 10.928 -25.489 8.159 1.00 30.65 O ATOM 355 CB ARG A 37 14.237 -26.169 8.507 1.00 30.97 C ATOM 356 CG ARG A 37 14.163 -25.345 7.260 1.00 27.04 C ATOM 357 CD ARG A 37 15.506 -24.752 6.891 1.00 36.63 C ATOM 358 NE ARG A 37 15.354 -23.834 5.771 1.00 30.72 N ATOM 359 CZ ARG A 37 16.331 -23.510 4.935 1.00 43.40 C ATOM 360 NH1 ARG A 37 16.093 -22.661 3.950 1.00 40.09 N ATOM 361 NH2 ARG A 37 17.535 -24.048 5.077 1.00 37.92 N ATOM 362 HE ARG A 37 14.419 -23.405 5.617 1.00 0.00 H ATOM 363 HH12 ARG A 37 16.855 -22.403 3.291 1.00 0.00 H ATOM 364 HH11 ARG A 37 15.144 -22.252 3.834 1.00 0.00 H ATOM 365 HH22 ARG A 37 18.300 -23.792 4.420 1.00 0.00 H ATOM 366 HH21 ARG A 37 17.714 -24.726 5.845 1.00 0.00 H ATOM 367 H ARG A 37 11.904 -27.263 6.963 1.00 0.00 H ATOM 368 N GLY A 38 12.042 -24.810 9.998 1.00 26.78 N ATOM 369 CA GLY A 38 11.330 -23.566 10.120 1.00 27.90 C ATOM 370 C GLY A 38 12.073 -22.456 9.422 1.00 31.32 C ATOM 371 O GLY A 38 13.289 -22.528 9.217 1.00 33.57 O ATOM 372 H GLY A 38 12.724 -25.078 10.736 1.00 0.00 H ATOM 373 N PRO A 39 11.360 -21.399 9.046 1.00 33.67 N ATOM 374 CA PRO A 39 12.030 -20.242 8.451 1.00 40.20 C ATOM 375 C PRO A 39 12.950 -19.580 9.457 1.00 43.59 C ATOM 376 O PRO A 39 12.783 -19.711 10.670 1.00 41.74 O ATOM 377 CB PRO A 39 10.872 -19.313 8.066 1.00 38.12 C ATOM 378 CG PRO A 39 9.778 -19.679 9.014 1.00 36.03 C ATOM 379 CD PRO A 39 9.938 -21.133 9.330 1.00 34.87 C ATOM 380 N GLU A 40 13.947 -18.872 8.922 1.00 50.74 N ATOM 381 CA GLU A 40 14.822 -18.006 9.711 1.00 54.33 C ATOM 382 C GLU A 40 15.337 -18.725 10.954 1.00 47.45 C ATOM 383 O GLU A 40 15.387 -18.170 12.056 1.00 49.40 O ATOM 384 CB GLU A 40 14.101 -16.708 10.068 1.00 57.78 C ATOM 385 CG GLU A 40 13.467 -16.055 8.852 1.00 69.05 C ATOM 386 CD GLU A 40 13.374 -14.546 8.963 1.00 84.46 C ATOM 387 OE1 GLU A 40 12.827 -14.043 9.972 1.00 85.94 O ATOM 388 OE2 GLU A 40 13.860 -13.865 8.033 1.00 90.85 O ATOM 389 H GLU A 40 14.109 -18.939 7.897 1.00 0.00 H ATOM 390 N HIS A 41 15.686 -19.993 10.771 1.00 47.41 N ATOM 391 CA HIS A 41 16.251 -20.861 11.797 1.00 64.81 C ATOM 392 C HIS A 41 15.349 -21.030 13.016 1.00 57.89 C ATOM 393 O HIS A 41 15.821 -21.499 14.055 1.00 55.00 O ATOM 394 CB HIS A 41 17.634 -20.366 12.243 1.00 76.55 C ATOM 395 CG HIS A 41 18.625 -20.241 11.127 1.00 80.93 C ATOM 396 ND1 HIS A 41 19.113 -21.333 10.439 1.00 83.51 N ATOM 397 CD2 HIS A 41 19.223 -19.155 10.584 1.00 81.25 C ATOM 398 CE1 HIS A 41 19.970 -20.924 9.520 1.00 86.64 C ATOM 399 NE2 HIS A 41 20.056 -19.607 9.588 1.00 82.88 N ATOM 400 H HIS A 41 15.546 -20.398 9.823 1.00 0.00 H ATOM 401 N SER A 42 14.064 -20.664 12.925 1.00 51.07 N ATOM 402 CA SER A 42 13.102 -20.907 14.001 1.00 36.22 C ATOM 403 C SER A 42 13.084 -22.386 14.381 1.00 35.93 C ATOM 404 O SER A 42 13.539 -23.224 13.602 1.00 30.86 O ATOM 405 CB SER A 42 11.704 -20.462 13.577 1.00 33.04 C ATOM 406 OG SER A 42 11.310 -21.159 12.411 1.00 30.92 O ATOM 407 HG SER A 42 11.950 -20.967 11.681 1.00 0.00 H ATOM 408 H SER A 42 13.738 -20.190 12.059 1.00 0.00 H ATOM 409 N ASN A 43 12.543 -22.726 15.553 1.00 29.53 N ATOM 410 CA ASN A 43 12.688 -24.065 16.126 1.00 28.47 C ATOM 411 C ASN A 43 11.340 -24.773 16.058 1.00 30.39 C ATOM 412 O ASN A 43 10.478 -24.577 16.922 1.00 31.42 O ATOM 413 CB ASN A 43 13.209 -23.998 17.561 1.00 35.88 C ATOM 414 CG ASN A 43 13.370 -25.378 18.190 1.00 38.89 C ATOM 415 OD1 ASN A 43 13.291 -26.389 17.509 1.00 35.19 O ATOM 416 ND2 ASN A 43 13.596 -25.418 19.496 1.00 30.83 N ATOM 417 HD22 ASN A 43 13.656 -24.534 20.041 1.00 0.00 H ATOM 418 HD21 ASN A 43 13.713 -26.333 19.976 1.00 0.00 H ATOM 419 H ASN A 43 11.998 -22.013 16.079 1.00 0.00 H ATOM 420 N ILE A 44 11.165 -25.615 15.036 1.00 25.15 N ATOM 421 CA ILE A 44 9.907 -26.339 14.893 1.00 23.73 C ATOM 422 C ILE A 44 9.849 -27.583 15.760 1.00 26.35 C ATOM 423 O ILE A 44 8.793 -28.227 15.817 1.00 27.47 O ATOM 424 CB ILE A 44 9.627 -26.712 13.425 1.00 27.60 C ATOM 425 CG1 ILE A 44 10.686 -27.686 12.896 1.00 24.33 C ATOM 426 CG2 ILE A 44 9.543 -25.451 12.575 1.00 23.99 C ATOM 427 CD1 ILE A 44 10.415 -28.095 11.457 1.00 23.15 C ATOM 428 H ILE A 44 11.927 -25.754 14.342 1.00 0.00 H ATOM 429 N GLN A 45 10.922 -27.913 16.485 1.00 27.47 N ATOM 430 CA GLN A 45 10.836 -29.058 17.380 1.00 28.02 C ATOM 431 C GLN A 45 9.810 -28.835 18.489 1.00 30.55 C ATOM 432 O GLN A 45 9.371 -29.800 19.121 1.00 28.88 O ATOM 433 CB GLN A 45 12.200 -29.378 17.990 1.00 27.77 C ATOM 434 CG GLN A 45 12.147 -30.598 18.907 1.00 36.18 C ATOM 435 CD GLN A 45 13.499 -31.188 19.206 1.00 40.38 C ATOM 436 OE1 GLN A 45 14.464 -30.464 19.413 1.00 31.32 O ATOM 437 NE2 GLN A 45 13.575 -32.515 19.235 1.00 41.80 N ATOM 438 HE22 GLN A 45 12.727 -33.089 19.052 1.00 0.00 H ATOM 439 HE21 GLN A 45 14.483 -32.980 19.440 1.00 0.00 H ATOM 440 H GLN A 45 11.801 -27.363 16.411 1.00 0.00 H ATOM 441 N HIS A 46 9.413 -27.587 18.736 1.00 25.42 N ATOM 442 CA HIS A 46 8.393 -27.340 19.760 1.00 26.05 C ATOM 443 C HIS A 46 7.088 -28.047 19.439 1.00 34.06 C ATOM 444 O HIS A 46 6.381 -28.494 20.353 1.00 33.93 O ATOM 445 CB HIS A 46 8.156 -25.843 19.920 1.00 26.46 C ATOM 446 CG HIS A 46 9.324 -25.114 20.498 1.00 33.77 C ATOM 447 ND1 HIS A 46 9.739 -25.296 21.798 1.00 35.85 N ATOM 448 CD2 HIS A 46 10.170 -24.208 19.955 1.00 28.37 C ATOM 449 CE1 HIS A 46 10.792 -24.532 22.031 1.00 40.39 C ATOM 450 NE2 HIS A 46 11.076 -23.864 20.928 1.00 36.09 N ATOM 451 H HIS A 46 9.824 -26.793 18.205 1.00 0.00 H ATOM 452 N PHE A 47 6.733 -28.154 18.161 1.00 29.30 N ATOM 453 CA PHE A 47 5.484 -28.809 17.814 1.00 28.14 C ATOM 454 C PHE A 47 5.641 -30.014 16.897 1.00 25.45 C ATOM 455 O PHE A 47 4.648 -30.706 16.652 1.00 29.68 O ATOM 456 CB PHE A 47 4.508 -27.804 17.179 1.00 25.53 C ATOM 457 CG PHE A 47 4.941 -27.309 15.845 1.00 29.12 C ATOM 458 CD1 PHE A 47 4.506 -27.940 14.689 1.00 28.02 C ATOM 459 CD2 PHE A 47 5.793 -26.219 15.740 1.00 30.05 C ATOM 460 CE1 PHE A 47 4.913 -27.495 13.439 1.00 31.74 C ATOM 461 CE2 PHE A 47 6.211 -25.763 14.493 1.00 28.56 C ATOM 462 CZ PHE A 47 5.774 -26.408 13.343 1.00 25.04 C ATOM 463 H PHE A 47 7.347 -27.770 17.414 1.00 0.00 H ATOM 464 N VAL A 48 6.835 -30.282 16.372 1.00 27.83 N ATOM 465 CA VAL A 48 7.059 -31.430 15.497 1.00 33.00 C ATOM 466 C VAL A 48 7.517 -32.605 16.347 1.00 23.87 C ATOM 467 O VAL A 48 8.520 -32.507 17.056 1.00 33.21 O ATOM 468 CB VAL A 48 8.092 -31.109 14.404 1.00 28.79 C ATOM 469 CG1 VAL A 48 8.620 -32.418 13.747 1.00 26.37 C ATOM 470 CG2 VAL A 48 7.491 -30.182 13.365 1.00 28.23 C ATOM 471 H VAL A 48 7.634 -29.654 16.592 1.00 0.00 H ATOM 472 N GLU A 49 6.776 -33.717 16.287 1.00 28.53 N ATOM 473 CA GLU A 49 7.223 -34.941 16.945 1.00 29.46 C ATOM 474 C GLU A 49 8.344 -35.612 16.149 1.00 26.22 C ATOM 475 O GLU A 49 9.411 -35.917 16.690 1.00 33.84 O ATOM 476 CB GLU A 49 6.052 -35.914 17.131 1.00 31.77 C ATOM 477 CG GLU A 49 6.499 -37.324 17.512 1.00 40.12 C ATOM 478 CD GLU A 49 5.365 -38.337 17.537 1.00 69.10 C ATOM 479 OE1 GLU A 49 4.207 -37.945 17.791 1.00 78.69 O ATOM 480 OE2 GLU A 49 5.635 -39.535 17.305 1.00 78.42 O ATOM 481 H GLU A 49 5.875 -33.709 15.768 1.00 0.00 H ATOM 482 N LYS A 50 8.119 -35.836 14.863 1.00 28.36 N ATOM 483 CA LYS A 50 9.126 -36.434 14.004 1.00 31.56 C ATOM 484 C LYS A 50 8.808 -36.066 12.571 1.00 27.11 C ATOM 485 O LYS A 50 7.690 -35.659 12.245 1.00 27.02 O ATOM 486 CB LYS A 50 9.171 -37.956 14.154 1.00 30.90 C ATOM 487 CG LYS A 50 7.861 -38.645 13.774 1.00 36.63 C ATOM 488 CD LYS A 50 7.902 -40.128 14.095 1.00 35.96 C ATOM 489 CE LYS A 50 6.551 -40.786 13.866 1.00 39.56 C ATOM 490 NZ LYS A 50 6.479 -42.144 14.474 1.00 51.62 N ATOM 491 HZ1 LYS A 50 7.211 -42.751 14.052 1.00 0.00 H ATOM 492 HZ2 LYS A 50 6.635 -42.072 15.500 1.00 0.00 H ATOM 493 HZ3 LYS A 50 5.541 -42.554 14.293 1.00 0.00 H ATOM 494 H LYS A 50 7.197 -35.577 14.458 1.00 0.00 H ATOM 495 N VAL A 51 9.812 -36.235 11.709 1.00 25.68 N ATOM 496 CA VAL A 51 9.645 -36.072 10.278 1.00 27.35 C ATOM 497 C VAL A 51 10.098 -37.370 9.626 1.00 36.59 C ATOM 498 O VAL A 51 11.187 -37.876 9.922 1.00 32.30 O ATOM 499 CB VAL A 51 10.422 -34.853 9.742 1.00 26.08 C ATOM 500 CG1 VAL A 51 10.269 -34.761 8.251 1.00 24.98 C ATOM 501 CG2 VAL A 51 9.914 -33.543 10.407 1.00 21.32 C ATOM 502 H VAL A 51 10.750 -36.493 12.077 1.00 0.00 H ATOM 503 N VAL A 52 9.236 -37.934 8.788 1.00 24.96 N ATOM 504 CA VAL A 52 9.497 -39.197 8.119 1.00 29.31 C ATOM 505 C VAL A 52 9.658 -38.889 6.644 1.00 29.59 C ATOM 506 O VAL A 52 8.742 -38.329 6.025 1.00 28.57 O ATOM 507 CB VAL A 52 8.378 -40.224 8.345 1.00 29.40 C ATOM 508 CG1 VAL A 52 8.796 -41.589 7.774 1.00 33.56 C ATOM 509 CG2 VAL A 52 8.008 -40.332 9.847 1.00 28.52 C ATOM 510 H VAL A 52 8.334 -37.450 8.602 1.00 0.00 H ATOM 511 N PHE A 53 10.835 -39.223 6.100 1.00 32.28 N ATOM 512 CA PHE A 53 11.137 -39.117 4.676 1.00 29.24 C ATOM 513 C PHE A 53 11.020 -40.502 4.050 1.00 34.91 C ATOM 514 O PHE A 53 11.693 -41.446 4.481 1.00 34.41 O ATOM 515 CB PHE A 53 12.542 -38.553 4.440 1.00 25.10 C ATOM 516 CG PHE A 53 12.786 -37.201 5.081 1.00 25.97 C ATOM 517 CD1 PHE A 53 12.665 -36.037 4.346 1.00 25.47 C ATOM 518 CD2 PHE A 53 13.173 -37.107 6.408 1.00 24.47 C ATOM 519 CE1 PHE A 53 12.916 -34.805 4.920 1.00 25.19 C ATOM 520 CE2 PHE A 53 13.412 -35.878 6.993 1.00 27.73 C ATOM 521 CZ PHE A 53 13.287 -34.722 6.248 1.00 23.59 C ATOM 522 H PHE A 53 11.580 -39.580 6.731 1.00 0.00 H ATOM 523 N HIS A 54 10.145 -40.630 3.065 1.00 26.42 N ATOM 524 CA HIS A 54 9.887 -41.904 2.404 1.00 35.68 C ATOM 525 C HIS A 54 10.650 -41.855 1.086 1.00 31.05 C ATOM 526 O HIS A 54 10.204 -41.236 0.120 1.00 28.41 O ATOM 527 CB HIS A 54 8.396 -42.140 2.188 1.00 36.66 C ATOM 528 CG HIS A 54 7.589 -42.218 3.461 1.00 36.11 C ATOM 529 ND1 HIS A 54 7.258 -43.414 4.063 1.00 43.07 N ATOM 530 CD2 HIS A 54 7.028 -41.247 4.224 1.00 31.61 C ATOM 531 CE1 HIS A 54 6.530 -43.178 5.143 1.00 33.36 C ATOM 532 NE2 HIS A 54 6.379 -41.870 5.266 1.00 39.48 N ATOM 533 H HIS A 54 9.621 -39.789 2.750 1.00 0.00 H ATOM 534 N LEU A 55 11.810 -42.492 1.070 1.00 35.78 N ATOM 535 CA LEU A 55 12.692 -42.503 -0.094 1.00 34.53 C ATOM 536 C LEU A 55 12.203 -43.518 -1.125 1.00 33.14 C ATOM 537 O LEU A 55 11.403 -44.408 -0.819 1.00 37.93 O ATOM 538 CB LEU A 55 14.108 -42.832 0.355 1.00 34.52 C ATOM 539 CG LEU A 55 15.072 -41.712 0.754 1.00 42.18 C ATOM 540 CD1 LEU A 55 14.445 -40.677 1.636 1.00 39.60 C ATOM 541 CD2 LEU A 55 16.311 -42.318 1.422 1.00 44.72 C ATOM 542 H LEU A 55 12.106 -43.007 1.923 1.00 0.00 H ATOM 543 N HIS A 56 12.702 -43.395 -2.359 1.00 41.83 N ATOM 544 CA HIS A 56 12.299 -44.337 -3.399 1.00 34.64 C ATOM 545 C HIS A 56 12.611 -45.761 -2.963 1.00 50.33 C ATOM 546 O HIS A 56 13.573 -46.011 -2.233 1.00 36.62 O ATOM 547 CB HIS A 56 12.998 -44.050 -4.734 1.00 35.91 C ATOM 548 CG HIS A 56 12.446 -44.841 -5.879 1.00 37.82 C ATOM 549 ND1 HIS A 56 12.996 -46.037 -6.296 1.00 39.92 N ATOM 550 CD2 HIS A 56 11.384 -44.615 -6.689 1.00 38.39 C ATOM 551 CE1 HIS A 56 12.301 -46.507 -7.315 1.00 43.28 C ATOM 552 NE2 HIS A 56 11.314 -45.668 -7.570 1.00 47.13 N ATOM 553 H HIS A 56 13.374 -42.632 -2.577 1.00 0.00 H ATOM 554 N GLU A 57 11.774 -46.698 -3.420 1.00 46.16 N ATOM 555 CA GLU A 57 11.916 -48.106 -3.058 1.00 54.77 C ATOM 556 C GLU A 57 13.272 -48.693 -3.455 1.00 49.43 C ATOM 557 O GLU A 57 13.646 -49.750 -2.936 1.00 47.96 O ATOM 558 CB GLU A 57 10.787 -48.917 -3.700 1.00 61.03 C ATOM 559 CG GLU A 57 10.671 -48.701 -5.203 1.00 69.51 C ATOM 560 CD GLU A 57 9.513 -49.452 -5.828 1.00 82.17 C ATOM 561 OE1 GLU A 57 8.971 -48.972 -6.852 1.00 80.60 O ATOM 562 OE2 GLU A 57 9.151 -50.525 -5.297 1.00 90.87 O ATOM 563 H GLU A 57 10.998 -46.416 -4.053 1.00 0.00 H ATOM 564 N SER A 58 14.019 -48.041 -4.355 1.00 41.66 N ATOM 565 CA SER A 58 15.355 -48.520 -4.689 1.00 47.60 C ATOM 566 C SER A 58 16.363 -48.264 -3.573 1.00 51.67 C ATOM 567 O SER A 58 17.442 -48.866 -3.578 1.00 45.74 O ATOM 568 CB SER A 58 15.843 -47.874 -5.993 1.00 47.52 C ATOM 569 OG SER A 58 15.755 -46.462 -5.937 1.00 49.09 O ATOM 570 HG SER A 58 14.813 -46.197 -5.789 1.00 0.00 H ATOM 571 H SER A 58 13.644 -47.189 -4.818 1.00 0.00 H ATOM 572 N PHE A 59 16.046 -47.389 -2.628 1.00 41.04 N ATOM 573 CA PHE A 59 16.967 -47.119 -1.529 1.00 43.60 C ATOM 574 C PHE A 59 16.834 -48.195 -0.452 1.00 54.35 C ATOM 575 O PHE A 59 15.735 -48.692 -0.201 1.00 57.40 O ATOM 576 CB PHE A 59 16.699 -45.734 -0.925 1.00 41.64 C ATOM 577 CG PHE A 59 17.303 -44.602 -1.715 1.00 39.66 C ATOM 578 CD1 PHE A 59 18.614 -44.205 -1.490 1.00 44.13 C ATOM 579 CD2 PHE A 59 16.568 -43.950 -2.694 1.00 36.85 C ATOM 580 CE1 PHE A 59 19.184 -43.162 -2.217 1.00 46.03 C ATOM 581 CE2 PHE A 59 17.129 -42.906 -3.435 1.00 37.23 C ATOM 582 CZ PHE A 59 18.446 -42.511 -3.196 1.00 38.72 C ATOM 583 H PHE A 59 15.134 -46.891 -2.671 1.00 0.00 H ATOM 584 N PRO A 60 17.935 -48.597 0.176 1.00 57.78 N ATOM 585 CA PRO A 60 17.819 -49.457 1.358 1.00 58.41 C ATOM 586 C PRO A 60 17.245 -48.663 2.528 1.00 60.32 C ATOM 587 O PRO A 60 17.475 -47.458 2.645 1.00 51.15 O ATOM 588 CB PRO A 60 19.263 -49.901 1.615 1.00 65.06 C ATOM 589 CG PRO A 60 20.092 -48.780 1.059 1.00 67.19 C ATOM 590 CD PRO A 60 19.336 -48.249 -0.128 1.00 61.56 C ATOM 591 N ARG A 61 16.506 -49.358 3.396 1.00 64.49 N ATOM 592 CA ARG A 61 15.759 -48.757 4.499 1.00 66.00 C ATOM 593 C ARG A 61 15.091 -47.429 4.113 1.00 52.61 C ATOM 594 O ARG A 61 15.384 -46.387 4.705 1.00 46.56 O ATOM 595 CB ARG A 61 16.643 -48.584 5.730 1.00 82.02 C ATOM 596 CG ARG A 61 17.852 -47.638 5.584 1.00 96.05 C ATOM 597 CD ARG A 61 18.837 -47.602 6.794 1.00105.39 C ATOM 598 NE ARG A 61 19.906 -46.612 6.589 1.00107.34 N ATOM 599 CZ ARG A 61 21.000 -46.814 5.850 1.00106.63 C ATOM 600 NH1 ARG A 61 21.901 -45.846 5.722 1.00106.34 N ATOM 601 NH2 ARG A 61 21.205 -47.982 5.248 1.00105.03 N ATOM 602 HE ARG A 61 19.802 -45.687 7.054 1.00 0.00 H ATOM 603 HH12 ARG A 61 22.753 -46.002 5.147 1.00 0.00 H ATOM 604 HH11 ARG A 61 21.754 -44.933 6.197 1.00 0.00 H ATOM 605 HH22 ARG A 61 22.060 -48.129 4.675 1.00 0.00 H ATOM 606 HH21 ARG A 61 20.510 -48.749 5.350 1.00 0.00 H ATOM 607 H ARG A 61 16.459 -50.390 3.280 1.00 0.00 H ATOM 608 N PRO A 62 14.158 -47.449 3.153 1.00 51.94 N ATOM 609 CA PRO A 62 13.692 -46.186 2.543 1.00 49.81 C ATOM 610 C PRO A 62 12.908 -45.267 3.468 1.00 44.94 C ATOM 611 O PRO A 62 12.826 -44.060 3.183 1.00 34.42 O ATOM 612 CB PRO A 62 12.817 -46.658 1.373 1.00 43.84 C ATOM 613 CG PRO A 62 12.513 -48.092 1.645 1.00 46.81 C ATOM 614 CD PRO A 62 13.633 -48.634 2.457 1.00 47.75 C ATOM 615 N LYS A 63 12.318 -45.784 4.540 1.00 47.22 N ATOM 616 CA LYS A 63 11.585 -44.953 5.491 1.00 45.79 C ATOM 617 C LYS A 63 12.598 -44.365 6.467 1.00 41.27 C ATOM 618 O LYS A 63 13.078 -45.045 7.372 1.00 45.34 O ATOM 619 CB LYS A 63 10.509 -45.779 6.193 1.00 46.11 C ATOM 620 CG LYS A 63 9.775 -45.072 7.316 1.00 48.81 C ATOM 621 CD LYS A 63 8.632 -45.938 7.852 1.00 56.54 C ATOM 622 CE LYS A 63 8.074 -45.374 9.160 1.00 67.67 C ATOM 623 NZ LYS A 63 6.787 -45.998 9.581 1.00 66.91 N ATOM 624 HZ1 LYS A 63 6.070 -45.841 8.844 1.00 0.00 H ATOM 625 HZ2 LYS A 63 6.927 -47.019 9.718 1.00 0.00 H ATOM 626 HZ3 LYS A 63 6.470 -45.567 10.473 1.00 0.00 H ATOM 627 H LYS A 63 12.380 -46.809 4.707 1.00 0.00 H ATOM 628 N ARG A 64 12.961 -43.108 6.271 1.00 37.52 N ATOM 629 CA ARG A 64 13.969 -42.471 7.106 1.00 35.38 C ATOM 630 C ARG A 64 13.275 -41.579 8.126 1.00 34.17 C ATOM 631 O ARG A 64 12.572 -40.633 7.754 1.00 33.78 O ATOM 632 CB ARG A 64 14.959 -41.670 6.261 1.00 34.96 C ATOM 633 CG ARG A 64 15.636 -42.486 5.175 1.00 34.60 C ATOM 634 CD ARG A 64 16.531 -43.596 5.726 1.00 42.40 C ATOM 635 NE ARG A 64 17.062 -44.423 4.637 1.00 39.97 N ATOM 636 CZ ARG A 64 18.103 -44.095 3.872 1.00 43.33 C ATOM 637 NH1 ARG A 64 18.506 -44.918 2.901 1.00 39.20 N ATOM 638 NH2 ARG A 64 18.750 -42.951 4.072 1.00 42.88 N ATOM 639 HE ARG A 64 16.592 -45.331 4.448 1.00 0.00 H ATOM 640 HH12 ARG A 64 19.318 -44.661 2.305 1.00 0.00 H ATOM 641 HH11 ARG A 64 18.007 -45.817 2.741 1.00 0.00 H ATOM 642 HH22 ARG A 64 19.562 -42.701 3.472 1.00 0.00 H ATOM 643 HH21 ARG A 64 18.445 -42.306 4.829 1.00 0.00 H ATOM 644 H ARG A 64 12.517 -42.564 5.504 1.00 0.00 H ATOM 645 N VAL A 65 13.475 -41.881 9.407 1.00 40.35 N ATOM 646 CA VAL A 65 12.787 -41.201 10.500 1.00 33.61 C ATOM 647 C VAL A 65 13.770 -40.263 11.187 1.00 38.40 C ATOM 648 O VAL A 65 14.879 -40.675 11.554 1.00 42.14 O ATOM 649 CB VAL A 65 12.188 -42.210 11.498 1.00 36.61 C ATOM 650 CG1 VAL A 65 11.507 -41.482 12.665 1.00 32.36 C ATOM 651 CG2 VAL A 65 11.211 -43.123 10.786 1.00 38.85 C ATOM 652 H VAL A 65 14.152 -42.635 9.639 1.00 0.00 H ATOM 653 N CYS A 66 13.373 -39.001 11.332 1.00 33.96 N ATOM 654 CA CYS A 66 14.119 -38.003 12.093 1.00 32.27 C ATOM 655 C CYS A 66 13.252 -37.601 13.285 1.00 34.96 C ATOM 656 O CYS A 66 12.283 -36.847 13.137 1.00 31.96 O ATOM 657 CB CYS A 66 14.473 -36.795 11.234 1.00 31.91 C ATOM 658 SG CYS A 66 15.646 -37.147 9.903 1.00 38.56 S ATOM 659 H CYS A 66 12.483 -38.710 10.879 1.00 0.00 H ATOM 660 N LYS A 67 13.593 -38.119 14.465 1.00 39.08 N ATOM 661 CA LYS A 67 12.876 -37.723 15.665 1.00 38.81 C ATOM 662 C LYS A 67 13.375 -36.401 16.224 1.00 36.44 C ATOM 663 O LYS A 67 12.671 -35.780 17.026 1.00 42.08 O ATOM 664 CB LYS A 67 12.982 -38.820 16.726 1.00 44.31 C ATOM 665 CG LYS A 67 12.347 -40.150 16.297 1.00 50.92 C ATOM 666 CD LYS A 67 11.552 -40.793 17.444 1.00 53.05 C ATOM 667 CE LYS A 67 10.756 -42.025 16.993 1.00 59.24 C ATOM 668 NZ LYS A 67 11.626 -43.209 16.712 1.00 65.07 N ATOM 669 HZ1 LYS A 67 12.299 -42.971 15.956 1.00 0.00 H ATOM 670 HZ2 LYS A 67 12.148 -43.466 17.574 1.00 0.00 H ATOM 671 HZ3 LYS A 67 11.034 -44.009 16.412 1.00 0.00 H ATOM 672 H LYS A 67 14.371 -38.806 14.527 1.00 0.00 H ATOM 673 N ASP A 68 14.555 -35.951 15.812 1.00 33.21 N ATOM 674 CA ASP A 68 15.172 -34.747 16.344 1.00 33.34 C ATOM 675 C ASP A 68 15.748 -33.934 15.197 1.00 33.01 C ATOM 676 O ASP A 68 16.106 -34.497 14.152 1.00 40.11 O ATOM 677 CB ASP A 68 16.285 -35.083 17.353 1.00 43.00 C ATOM 678 CG ASP A 68 15.757 -35.747 18.613 1.00 53.92 C ATOM 679 OD1 ASP A 68 14.841 -35.189 19.249 1.00 62.44 O ATOM 680 OD2 ASP A 68 16.264 -36.826 18.982 1.00 66.44 O ATOM 681 H ASP A 68 15.060 -36.484 15.076 1.00 0.00 H ATOM 682 N PRO A 69 15.849 -32.604 15.357 1.00 35.19 N ATOM 683 CA PRO A 69 16.450 -31.804 14.284 1.00 36.74 C ATOM 684 C PRO A 69 17.942 -32.105 14.169 1.00 40.03 C ATOM 685 O PRO A 69 18.531 -32.585 15.132 1.00 45.39 O ATOM 686 CB PRO A 69 16.222 -30.356 14.729 1.00 29.06 C ATOM 687 CG PRO A 69 15.340 -30.428 15.946 1.00 40.00 C ATOM 688 CD PRO A 69 15.520 -31.787 16.535 1.00 42.51 C ATOM 689 N PRO A 70 18.541 -31.847 13.003 1.00 39.35 N ATOM 690 CA PRO A 70 17.843 -31.360 11.813 1.00 36.86 C ATOM 691 C PRO A 70 17.009 -32.452 11.155 1.00 35.97 C ATOM 692 O PRO A 70 17.375 -33.632 11.166 1.00 43.31 O ATOM 693 CB PRO A 70 18.983 -30.909 10.904 1.00 38.19 C ATOM 694 CG PRO A 70 20.132 -31.759 11.325 1.00 40.80 C ATOM 695 CD PRO A 70 19.993 -31.969 12.783 1.00 40.74 C ATOM 696 N TYR A 71 15.866 -32.055 10.613 1.00 26.33 N ATOM 697 CA TYR A 71 14.999 -32.996 9.916 1.00 23.17 C ATOM 698 C TYR A 71 15.509 -33.060 8.488 1.00 31.20 C ATOM 699 O TYR A 71 15.113 -32.275 7.631 1.00 25.20 O ATOM 700 CB TYR A 71 13.550 -32.559 9.989 1.00 23.94 C ATOM 701 CG TYR A 71 13.134 -32.337 11.418 1.00 28.55 C ATOM 702 CD1 TYR A 71 12.893 -33.407 12.263 1.00 23.82 C ATOM 703 CD2 TYR A 71 13.039 -31.063 11.930 1.00 25.28 C ATOM 704 CE1 TYR A 71 12.512 -33.200 13.607 1.00 30.11 C ATOM 705 CE2 TYR A 71 12.668 -30.842 13.266 1.00 25.91 C ATOM 706 CZ TYR A 71 12.411 -31.911 14.092 1.00 28.59 C ATOM 707 OH TYR A 71 12.048 -31.669 15.398 1.00 34.55 O ATOM 708 HH TYR A 71 11.898 -32.530 15.863 1.00 0.00 H ATOM 709 H TYR A 71 15.584 -31.057 10.686 1.00 0.00 H ATOM 710 N LYS A 72 16.407 -33.999 8.234 1.00 38.34 N ATOM 711 CA LYS A 72 17.013 -34.048 6.916 1.00 34.38 C ATOM 712 C LYS A 72 17.552 -35.440 6.656 1.00 34.77 C ATOM 713 O LYS A 72 17.773 -36.227 7.580 1.00 31.26 O ATOM 714 CB LYS A 72 18.120 -33.005 6.780 1.00 34.27 C ATOM 715 CG LYS A 72 19.286 -33.205 7.709 1.00 39.25 C ATOM 716 CD LYS A 72 20.388 -32.209 7.369 1.00 50.25 C ATOM 717 CE LYS A 72 21.670 -32.488 8.137 1.00 62.77 C ATOM 718 NZ LYS A 72 22.661 -31.379 7.988 1.00 68.30 N ATOM 719 HZ1 LYS A 72 22.901 -31.263 6.983 1.00 0.00 H ATOM 720 HZ2 LYS A 72 22.249 -30.496 8.351 1.00 0.00 H ATOM 721 HZ3 LYS A 72 23.520 -31.609 8.527 1.00 0.00 H ATOM 722 H LYS A 72 16.673 -34.689 8.965 1.00 0.00 H ATOM 723 N VAL A 73 17.751 -35.728 5.371 1.00 26.50 N ATOM 724 CA VAL A 73 18.368 -36.958 4.909 1.00 26.18 C ATOM 725 C VAL A 73 19.434 -36.579 3.884 1.00 30.09 C ATOM 726 O VAL A 73 19.164 -35.798 2.968 1.00 30.64 O ATOM 727 CB VAL A 73 17.327 -37.918 4.296 1.00 30.63 C ATOM 728 CG1 VAL A 73 18.019 -38.998 3.443 1.00 29.47 C ATOM 729 CG2 VAL A 73 16.470 -38.553 5.398 1.00 31.40 C ATOM 730 H VAL A 73 17.448 -35.033 4.659 1.00 0.00 H ATOM 731 N GLU A 74 20.641 -37.101 4.059 1.00 34.75 N ATOM 732 CA GLU A 74 21.719 -36.945 3.086 1.00 35.39 C ATOM 733 C GLU A 74 21.965 -38.287 2.413 1.00 37.95 C ATOM 734 O GLU A 74 22.220 -39.288 3.096 1.00 36.23 O ATOM 735 CB GLU A 74 22.998 -36.441 3.748 1.00 34.96 C ATOM 736 CG GLU A 74 22.836 -35.114 4.467 1.00 43.46 C ATOM 737 CD GLU A 74 24.138 -34.595 5.035 1.00 60.89 C ATOM 738 OE1 GLU A 74 24.375 -34.785 6.245 1.00 57.29 O ATOM 739 OE2 GLU A 74 24.929 -34.003 4.268 1.00 72.44 O ATOM 740 H GLU A 74 20.828 -37.644 4.926 1.00 0.00 H ATOM 741 N GLU A 75 21.896 -38.306 1.082 1.00 38.66 N ATOM 742 CA GLU A 75 22.068 -39.538 0.328 1.00 41.37 C ATOM 743 C GLU A 75 22.876 -39.292 -0.939 1.00 39.75 C ATOM 744 O GLU A 75 23.226 -38.160 -1.288 1.00 40.28 O ATOM 745 CB GLU A 75 20.730 -40.170 -0.061 1.00 30.61 C ATOM 746 CG GLU A 75 20.201 -41.184 0.923 1.00 34.68 C ATOM 747 CD GLU A 75 21.080 -42.407 1.034 1.00 46.59 C ATOM 748 OE1 GLU A 75 21.951 -42.605 0.153 1.00 46.56 O ATOM 749 OE2 GLU A 75 20.900 -43.171 2.005 1.00 48.46 O ATOM 750 H GLU A 75 21.715 -37.419 0.570 1.00 0.00 H ATOM 751 N SER A 76 23.165 -40.391 -1.620 1.00 35.83 N ATOM 752 CA SER A 76 23.697 -40.372 -2.969 1.00 36.94 C ATOM 753 C SER A 76 22.807 -41.232 -3.854 1.00 38.79 C ATOM 754 O SER A 76 22.158 -42.173 -3.388 1.00 39.85 O ATOM 755 CB SER A 76 25.144 -40.867 -3.003 1.00 35.62 C ATOM 756 OG SER A 76 26.010 -40.002 -2.283 1.00 42.82 O ATOM 757 HG SER A 76 25.979 -39.097 -2.684 1.00 0.00 H ATOM 758 H SER A 76 23.002 -41.312 -1.165 1.00 0.00 H ATOM 759 N GLY A 77 22.767 -40.889 -5.134 1.00 33.60 N ATOM 760 CA GLY A 77 21.925 -41.612 -6.060 1.00 37.49 C ATOM 761 C GLY A 77 22.221 -41.207 -7.485 1.00 30.25 C ATOM 762 O GLY A 77 23.184 -40.492 -7.767 1.00 38.29 O ATOM 763 H GLY A 77 23.345 -40.094 -5.474 1.00 0.00 H ATOM 764 N TYR A 78 21.360 -41.657 -8.380 1.00 36.20 N ATOM 765 CA TYR A 78 21.550 -41.409 -9.797 1.00 36.31 C ATOM 766 C TYR A 78 20.354 -40.762 -10.472 1.00 43.60 C ATOM 767 O TYR A 78 20.477 -40.375 -11.638 1.00 29.77 O ATOM 768 CB TYR A 78 21.881 -42.722 -10.528 1.00 36.35 C ATOM 769 CG TYR A 78 20.789 -43.745 -10.397 1.00 39.16 C ATOM 770 CD1 TYR A 78 19.815 -43.873 -11.372 1.00 38.66 C ATOM 771 CD2 TYR A 78 20.704 -44.561 -9.273 1.00 37.31 C ATOM 772 CE1 TYR A 78 18.784 -44.803 -11.237 1.00 37.60 C ATOM 773 CE2 TYR A 78 19.694 -45.490 -9.139 1.00 37.30 C ATOM 774 CZ TYR A 78 18.733 -45.607 -10.119 1.00 37.28 C ATOM 775 OH TYR A 78 17.724 -46.540 -9.987 1.00 50.50 O ATOM 776 HH TYR A 78 17.125 -46.490 -10.774 1.00 0.00 H ATOM 777 H TYR A 78 20.531 -42.199 -8.063 1.00 0.00 H ATOM 778 N ALA A 79 19.208 -40.632 -9.794 1.00 29.86 N ATOM 779 CA ALA A 79 18.006 -40.148 -10.454 1.00 31.81 C ATOM 780 C ALA A 79 17.096 -39.477 -9.431 1.00 27.08 C ATOM 781 O ALA A 79 17.149 -39.786 -8.239 1.00 26.55 O ATOM 782 CB ALA A 79 17.272 -41.289 -11.171 1.00 34.35 C ATOM 783 H ALA A 79 19.176 -40.880 -8.784 1.00 0.00 H ATOM 784 N GLY A 80 16.291 -38.528 -9.905 1.00 28.00 N ATOM 785 CA GLY A 80 15.321 -37.882 -9.044 1.00 29.50 C ATOM 786 C GLY A 80 14.041 -38.697 -8.905 1.00 33.37 C ATOM 787 O GLY A 80 13.848 -39.713 -9.575 1.00 33.83 O ATOM 788 H GLY A 80 16.359 -38.247 -10.904 1.00 0.00 H ATOM 789 N PHE A 81 13.154 -38.235 -8.020 1.00 29.43 N ATOM 790 CA PHE A 81 11.946 -39.002 -7.743 1.00 32.65 C ATOM 791 C PHE A 81 11.034 -38.210 -6.801 1.00 26.65 C ATOM 792 O PHE A 81 11.420 -37.187 -6.223 1.00 25.20 O ATOM 793 CB PHE A 81 12.293 -40.373 -7.141 1.00 27.85 C ATOM 794 CG PHE A 81 13.071 -40.286 -5.849 1.00 27.27 C ATOM 795 CD1 PHE A 81 12.408 -40.204 -4.625 1.00 29.03 C ATOM 796 CD2 PHE A 81 14.464 -40.276 -5.853 1.00 29.62 C ATOM 797 CE1 PHE A 81 13.116 -40.112 -3.431 1.00 25.34 C ATOM 798 CE2 PHE A 81 15.176 -40.190 -4.659 1.00 32.00 C ATOM 799 CZ PHE A 81 14.502 -40.109 -3.450 1.00 30.27 C ATOM 800 H PHE A 81 13.324 -37.333 -7.531 1.00 0.00 H ATOM 801 N ILE A 82 9.813 -38.711 -6.651 1.00 28.06 N ATOM 802 CA ILE A 82 8.861 -38.132 -5.707 1.00 29.36 C ATOM 803 C ILE A 82 9.129 -38.733 -4.332 1.00 31.08 C ATOM 804 O ILE A 82 9.163 -39.959 -4.175 1.00 29.28 O ATOM 805 CB ILE A 82 7.418 -38.374 -6.159 1.00 33.47 C ATOM 806 CG1 ILE A 82 7.209 -37.778 -7.554 1.00 33.78 C ATOM 807 CG2 ILE A 82 6.407 -37.796 -5.131 1.00 35.15 C ATOM 808 CD1 ILE A 82 7.410 -36.284 -7.598 1.00 35.76 C ATOM 809 H ILE A 82 9.528 -39.535 -7.219 1.00 0.00 H ATOM 810 N LEU A 83 9.367 -37.868 -3.349 1.00 24.96 N ATOM 811 CA LEU A 83 9.739 -38.271 -1.991 1.00 29.96 C ATOM 812 C LEU A 83 8.637 -37.840 -1.021 1.00 30.83 C ATOM 813 O LEU A 83 8.584 -36.662 -0.619 1.00 22.95 O ATOM 814 CB LEU A 83 11.082 -37.649 -1.603 1.00 26.02 C ATOM 815 CG LEU A 83 11.922 -38.261 -0.476 1.00 23.33 C ATOM 816 CD1 LEU A 83 13.349 -37.731 -0.511 1.00 21.78 C ATOM 817 CD2 LEU A 83 11.285 -37.961 0.900 1.00 22.28 C ATOM 818 H LEU A 83 9.284 -36.852 -3.556 1.00 0.00 H ATOM 819 N PRO A 84 7.730 -38.732 -0.625 1.00 25.53 N ATOM 820 CA PRO A 84 6.687 -38.325 0.345 1.00 25.55 C ATOM 821 C PRO A 84 7.313 -38.027 1.697 1.00 30.66 C ATOM 822 O PRO A 84 8.148 -38.788 2.194 1.00 28.63 O ATOM 823 CB PRO A 84 5.747 -39.536 0.405 1.00 28.08 C ATOM 824 CG PRO A 84 5.983 -40.249 -0.904 1.00 31.37 C ATOM 825 CD PRO A 84 7.465 -40.055 -1.201 1.00 27.71 C ATOM 826 N ILE A 85 6.921 -36.890 2.276 1.00 26.97 N ATOM 827 CA ILE A 85 7.402 -36.441 3.574 1.00 26.27 C ATOM 828 C ILE A 85 6.195 -36.258 4.484 1.00 24.48 C ATOM 829 O ILE A 85 5.238 -35.578 4.104 1.00 22.71 O ATOM 830 CB ILE A 85 8.172 -35.117 3.465 1.00 26.65 C ATOM 831 CG1 ILE A 85 9.330 -35.235 2.479 1.00 23.49 C ATOM 832 CG2 ILE A 85 8.658 -34.686 4.841 1.00 27.26 C ATOM 833 CD1 ILE A 85 10.054 -33.910 2.270 1.00 23.14 C ATOM 834 H ILE A 85 6.235 -36.293 1.772 1.00 0.00 H ATOM 835 N GLU A 86 6.249 -36.853 5.676 1.00 30.53 N ATOM 836 CA GLU A 86 5.227 -36.684 6.707 1.00 31.96 C ATOM 837 C GLU A 86 5.817 -35.948 7.898 1.00 34.19 C ATOM 838 O GLU A 86 6.852 -36.352 8.441 1.00 29.59 O ATOM 839 CB GLU A 86 4.668 -38.022 7.182 1.00 28.64 C ATOM 840 CG GLU A 86 3.931 -38.787 6.134 1.00 35.19 C ATOM 841 CD GLU A 86 3.621 -40.183 6.593 1.00 42.96 C ATOM 842 OE1 GLU A 86 4.546 -40.886 7.061 1.00 47.32 O ATOM 843 OE2 GLU A 86 2.439 -40.565 6.507 1.00 45.71 O ATOM 844 H GLU A 86 7.061 -37.469 5.883 1.00 0.00 H ATOM 845 N VAL A 87 5.153 -34.883 8.307 1.00 33.89 N ATOM 846 CA VAL A 87 5.520 -34.152 9.503 1.00 20.42 C ATOM 847 C VAL A 87 4.500 -34.549 10.568 1.00 32.01 C ATOM 848 O VAL A 87 3.305 -34.286 10.411 1.00 25.04 O ATOM 849 CB VAL A 87 5.536 -32.642 9.236 1.00 24.31 C ATOM 850 CG1 VAL A 87 5.911 -31.855 10.502 1.00 22.83 C ATOM 851 CG2 VAL A 87 6.499 -32.332 8.072 1.00 25.73 C ATOM 852 H VAL A 87 4.337 -34.557 7.751 1.00 0.00 H ATOM 853 N TYR A 88 4.959 -35.228 11.623 1.00 24.43 N ATOM 854 CA TYR A 88 4.121 -35.607 12.758 1.00 24.43 C ATOM 855 C TYR A 88 4.163 -34.511 13.819 1.00 31.41 C ATOM 856 O TYR A 88 5.210 -33.901 14.053 1.00 29.34 O ATOM 857 CB TYR A 88 4.595 -36.930 13.364 1.00 24.66 C ATOM 858 CG TYR A 88 4.223 -38.151 12.554 1.00 38.48 C ATOM 859 CD1 TYR A 88 3.276 -39.051 13.021 1.00 39.45 C ATOM 860 CD2 TYR A 88 4.814 -38.404 11.319 1.00 34.51 C ATOM 861 CE1 TYR A 88 2.925 -40.172 12.281 1.00 44.08 C ATOM 862 CE2 TYR A 88 4.472 -39.526 10.574 1.00 38.54 C ATOM 863 CZ TYR A 88 3.527 -40.404 11.061 1.00 42.53 C ATOM 864 OH TYR A 88 3.172 -41.513 10.328 1.00 44.22 O ATOM 865 HH TYR A 88 2.487 -42.029 10.823 1.00 0.00 H ATOM 866 H TYR A 88 5.963 -35.500 11.637 1.00 0.00 H ATOM 867 N PHE A 89 3.026 -34.273 14.468 1.00 27.39 N ATOM 868 CA PHE A 89 2.880 -33.168 15.414 1.00 31.57 C ATOM 869 C PHE A 89 2.859 -33.660 16.855 1.00 29.21 C ATOM 870 O PHE A 89 2.425 -34.771 17.134 1.00 26.75 O ATOM 871 CB PHE A 89 1.594 -32.395 15.156 1.00 28.25 C ATOM 872 CG PHE A 89 1.503 -31.839 13.790 1.00 23.21 C ATOM 873 CD1 PHE A 89 2.552 -31.099 13.258 1.00 31.10 C ATOM 874 CD2 PHE A 89 0.386 -32.077 13.008 1.00 28.37 C ATOM 875 CE1 PHE A 89 2.473 -30.589 11.976 1.00 27.53 C ATOM 876 CE2 PHE A 89 0.315 -31.568 11.709 1.00 31.59 C ATOM 877 CZ PHE A 89 1.346 -30.828 11.207 1.00 28.45 C ATOM 878 H PHE A 89 2.211 -34.896 14.296 1.00 0.00 H ATOM 879 N LYS A 90 3.298 -32.800 17.776 1.00 37.50 N ATOM 880 CA LYS A 90 3.241 -33.091 19.208 1.00 37.28 C ATOM 881 C LYS A 90 1.805 -32.845 19.679 1.00 40.48 C ATOM 882 O LYS A 90 1.503 -31.951 20.472 1.00 41.35 O ATOM 883 CB LYS A 90 4.267 -32.261 19.965 1.00 35.65 C ATOM 884 CG LYS A 90 5.634 -32.933 20.016 1.00 37.62 C ATOM 885 CD LYS A 90 6.757 -31.936 20.108 1.00 37.04 C ATOM 886 CE LYS A 90 8.074 -32.633 20.422 1.00 35.11 C ATOM 887 NZ LYS A 90 9.030 -31.665 21.021 1.00 35.77 N ATOM 888 HZ1 LYS A 90 9.203 -30.890 20.349 1.00 0.00 H ATOM 889 HZ2 LYS A 90 8.627 -31.280 21.899 1.00 0.00 H ATOM 890 HZ3 LYS A 90 9.926 -32.150 21.232 1.00 0.00 H ATOM 891 H LYS A 90 3.695 -31.891 17.464 1.00 0.00 H ATOM 892 N ASN A 91 0.919 -33.691 19.165 1.00 46.15 N ATOM 893 CA ASN A 91 -0.521 -33.498 19.152 1.00 54.03 C ATOM 894 C ASN A 91 -1.176 -34.746 19.710 1.00 50.32 C ATOM 895 O ASN A 91 -0.718 -35.859 19.443 1.00 50.62 O ATOM 896 CB ASN A 91 -1.001 -33.269 17.714 1.00 50.48 C ATOM 897 CG ASN A 91 -2.140 -32.306 17.625 1.00 52.96 C ATOM 898 OD1 ASN A 91 -2.913 -32.140 18.570 1.00 67.47 O ATOM 899 ND2 ASN A 91 -2.266 -31.665 16.477 1.00 49.51 N ATOM 900 HD22 ASN A 91 -1.588 -31.838 15.707 1.00 0.00 H ATOM 901 HD21 ASN A 91 -3.043 -30.987 16.343 1.00 0.00 H ATOM 902 H ASN A 91 1.287 -34.564 18.736 1.00 0.00 H ATOM 903 N LYS A 92 -2.248 -34.576 20.474 1.00 66.71 N ATOM 904 CA LYS A 92 -3.000 -35.734 20.931 1.00 77.21 C ATOM 905 C LYS A 92 -4.215 -36.027 20.064 1.00 81.04 C ATOM 906 O LYS A 92 -4.818 -37.095 20.209 1.00 89.42 O ATOM 907 CB LYS A 92 -3.430 -35.555 22.393 1.00 80.32 C ATOM 908 CG LYS A 92 -2.364 -35.987 23.391 1.00 85.25 C ATOM 909 CD LYS A 92 -1.972 -34.856 24.323 1.00 91.34 C ATOM 910 CE LYS A 92 -0.738 -35.216 25.137 1.00 84.71 C ATOM 911 NZ LYS A 92 -0.402 -34.142 26.116 1.00 83.35 N ATOM 912 HZ1 LYS A 92 -0.215 -33.255 25.606 1.00 0.00 H ATOM 913 HZ2 LYS A 92 -1.201 -34.006 26.768 1.00 0.00 H ATOM 914 HZ3 LYS A 92 0.444 -34.418 26.655 1.00 0.00 H ATOM 915 H LYS A 92 -2.549 -33.618 20.745 1.00 0.00 H ATOM 916 N GLU A 93 -4.560 -35.130 19.147 1.00 76.02 N ATOM 917 CA GLU A 93 -5.779 -35.256 18.359 1.00 83.45 C ATOM 918 C GLU A 93 -5.435 -34.971 16.901 1.00 78.86 C ATOM 919 O GLU A 93 -4.270 -34.976 16.492 1.00 84.42 O ATOM 920 CB GLU A 93 -6.858 -34.308 18.888 1.00 95.40 C ATOM 921 CG GLU A 93 -6.543 -32.839 18.662 1.00100.55 C ATOM 922 CD GLU A 93 -7.651 -31.939 19.149 1.00113.40 C ATOM 923 OE1 GLU A 93 -8.325 -32.313 20.130 1.00118.34 O ATOM 924 OE2 GLU A 93 -7.855 -30.864 18.545 1.00118.03 O ATOM 925 H GLU A 93 -3.940 -34.311 18.986 1.00 0.00 H ATOM 926 N GLU A 94 -6.459 -34.715 16.096 1.00 74.33 N ATOM 927 CA GLU A 94 -6.249 -34.288 14.723 1.00 74.59 C ATOM 928 C GLU A 94 -5.746 -32.848 14.666 1.00 84.14 C ATOM 929 O GLU A 94 -6.091 -32.028 15.525 1.00 86.97 O ATOM 930 CB GLU A 94 -7.536 -34.416 13.901 1.00 73.84 C ATOM 931 CG GLU A 94 -8.077 -35.824 13.787 1.00 82.64 C ATOM 932 CD GLU A 94 -7.023 -36.844 13.392 1.00 86.07 C ATOM 933 OE1 GLU A 94 -6.056 -36.492 12.670 1.00 85.60 O ATOM 934 OE2 GLU A 94 -7.173 -38.014 13.808 1.00 89.44 O ATOM 935 H GLU A 94 -7.429 -34.822 16.455 1.00 0.00 H ATOM 936 N PRO A 95 -4.895 -32.549 13.668 1.00 85.81 N ATOM 937 CA PRO A 95 -4.289 -33.594 12.831 1.00 82.45 C ATOM 938 C PRO A 95 -3.056 -34.173 13.513 1.00 76.23 C ATOM 939 O PRO A 95 -2.335 -33.421 14.169 1.00 71.60 O ATOM 940 CB PRO A 95 -3.925 -32.845 11.547 1.00 79.83 C ATOM 941 CG PRO A 95 -3.667 -31.433 12.005 1.00 77.00 C ATOM 942 CD PRO A 95 -4.597 -31.191 13.172 1.00 80.60 C ATOM 943 N ARG A 96 -2.811 -35.475 13.407 1.00 48.16 N ATOM 944 CA ARG A 96 -1.578 -35.970 13.995 1.00 46.05 C ATOM 945 C ARG A 96 -0.380 -35.724 13.085 1.00 45.94 C ATOM 946 O ARG A 96 0.757 -35.713 13.567 1.00 40.38 O ATOM 947 CB ARG A 96 -1.683 -37.456 14.325 1.00 54.33 C ATOM 948 CG ARG A 96 -2.599 -37.784 15.501 1.00 60.85 C ATOM 949 CD ARG A 96 -1.962 -37.480 16.865 1.00 59.93 C ATOM 950 NE ARG A 96 -1.683 -38.693 17.643 1.00 68.10 N ATOM 951 CZ ARG A 96 -2.584 -39.364 18.364 1.00 76.59 C ATOM 952 NH1 ARG A 96 -3.846 -38.956 18.420 1.00 80.70 N ATOM 953 NH2 ARG A 96 -2.226 -40.454 19.036 1.00 76.62 N ATOM 954 HE ARG A 96 -0.709 -39.057 17.632 1.00 0.00 H ATOM 955 HH12 ARG A 96 -4.539 -39.487 18.985 1.00 0.00 H ATOM 956 HH11 ARG A 96 -4.141 -38.106 17.899 1.00 0.00 H ATOM 957 HH22 ARG A 96 -2.931 -40.974 19.597 1.00 0.00 H ATOM 958 HH21 ARG A 96 -1.241 -40.786 19.001 1.00 0.00 H ATOM 959 H ARG A 96 -3.474 -36.113 12.923 1.00 0.00 H ATOM 960 N LYS A 97 -0.609 -35.499 11.795 1.00 39.34 N ATOM 961 CA LYS A 97 0.494 -35.365 10.848 1.00 30.84 C ATOM 962 C LYS A 97 -0.010 -34.649 9.602 1.00 37.59 C ATOM 963 O LYS A 97 -1.215 -34.463 9.406 1.00 34.90 O ATOM 964 CB LYS A 97 1.093 -36.738 10.508 1.00 30.41 C ATOM 965 CG LYS A 97 0.195 -37.614 9.652 1.00 32.50 C ATOM 966 CD LYS A 97 0.657 -39.057 9.619 1.00 45.45 C ATOM 967 CE LYS A 97 -0.107 -39.821 8.562 1.00 49.22 C ATOM 968 NZ LYS A 97 0.350 -41.224 8.443 1.00 48.22 N ATOM 969 HZ1 LYS A 97 1.358 -41.238 8.187 1.00 0.00 H ATOM 970 HZ2 LYS A 97 0.215 -41.709 9.353 1.00 0.00 H ATOM 971 HZ3 LYS A 97 -0.203 -41.706 7.706 1.00 0.00 H ATOM 972 H LYS A 97 -1.589 -35.417 11.455 1.00 0.00 H ATOM 973 N VAL A 98 0.942 -34.228 8.768 1.00 33.63 N ATOM 974 CA VAL A 98 0.663 -33.646 7.462 1.00 26.62 C ATOM 975 C VAL A 98 1.651 -34.280 6.494 1.00 27.96 C ATOM 976 O VAL A 98 2.762 -34.649 6.885 1.00 27.59 O ATOM 977 CB VAL A 98 0.779 -32.103 7.469 1.00 33.45 C ATOM 978 CG1 VAL A 98 2.204 -31.655 7.762 1.00 24.64 C ATOM 979 CG2 VAL A 98 0.300 -31.522 6.160 1.00 34.77 C ATOM 980 H VAL A 98 1.934 -34.320 9.065 1.00 0.00 H ATOM 981 N ARG A 99 1.230 -34.442 5.234 1.00 29.96 N ATOM 982 CA ARG A 99 2.042 -35.106 4.216 1.00 35.50 C ATOM 983 C ARG A 99 2.289 -34.192 3.020 1.00 36.54 C ATOM 984 O ARG A 99 1.388 -33.485 2.565 1.00 32.43 O ATOM 985 CB ARG A 99 1.362 -36.398 3.747 1.00 42.34 C ATOM 986 CG ARG A 99 2.095 -37.181 2.667 1.00 44.62 C ATOM 987 CD ARG A 99 1.260 -38.399 2.310 1.00 57.53 C ATOM 988 NE ARG A 99 1.847 -39.311 1.325 1.00 61.69 N ATOM 989 CZ ARG A 99 1.815 -39.125 0.007 1.00 65.23 C ATOM 990 NH1 ARG A 99 1.266 -38.025 -0.488 1.00 58.89 N ATOM 991 NH2 ARG A 99 2.356 -40.025 -0.817 1.00 63.03 N ATOM 992 HE ARG A 99 2.323 -40.165 1.681 1.00 0.00 H ATOM 993 HH12 ARG A 99 1.239 -37.875 -1.517 1.00 0.00 H ATOM 994 HH11 ARG A 99 0.863 -37.312 0.152 1.00 0.00 H ATOM 995 HH22 ARG A 99 2.327 -39.872 -1.845 1.00 0.00 H ATOM 996 HH21 ARG A 99 2.807 -40.879 -0.431 1.00 0.00 H ATOM 997 H ARG A 99 0.291 -34.082 4.969 1.00 0.00 H ATOM 998 N PHE A 100 3.511 -34.241 2.487 1.00 31.22 N ATOM 999 CA PHE A 100 3.870 -33.520 1.275 1.00 30.82 C ATOM 1000 C PHE A 100 4.592 -34.472 0.337 1.00 30.01 C ATOM 1001 O PHE A 100 5.497 -35.189 0.771 1.00 33.53 O ATOM 1002 CB PHE A 100 4.781 -32.335 1.571 1.00 27.89 C ATOM 1003 CG PHE A 100 4.248 -31.408 2.610 1.00 31.08 C ATOM 1004 CD1 PHE A 100 3.297 -30.460 2.282 1.00 34.85 C ATOM 1005 CD2 PHE A 100 4.723 -31.460 3.916 1.00 24.43 C ATOM 1006 CE1 PHE A 100 2.812 -29.583 3.246 1.00 34.66 C ATOM 1007 CE2 PHE A 100 4.239 -30.583 4.881 1.00 29.26 C ATOM 1008 CZ PHE A 100 3.287 -29.651 4.540 1.00 28.61 C ATOM 1009 H PHE A 100 4.237 -34.818 2.957 1.00 0.00 H ATOM 1010 N ASP A 101 4.181 -34.488 -0.930 1.00 29.50 N ATOM 1011 CA ASP A 101 4.934 -35.170 -1.984 1.00 30.22 C ATOM 1012 C ASP A 101 6.031 -34.216 -2.426 1.00 34.37 C ATOM 1013 O ASP A 101 5.775 -33.234 -3.125 1.00 35.55 O ATOM 1014 CB ASP A 101 4.031 -35.555 -3.146 1.00 43.40 C ATOM 1015 CG ASP A 101 3.113 -36.710 -2.807 1.00 50.29 C ATOM 1016 OD1 ASP A 101 3.335 -37.346 -1.755 1.00 47.91 O ATOM 1017 OD2 ASP A 101 2.183 -36.989 -3.596 1.00 53.52 O ATOM 1018 H ASP A 101 3.297 -34.000 -1.178 1.00 0.00 H ATOM 1019 N TYR A 102 7.255 -34.477 -1.998 1.00 39.11 N ATOM 1020 CA TYR A 102 8.354 -33.600 -2.347 1.00 25.69 C ATOM 1021 C TYR A 102 9.043 -34.116 -3.606 1.00 26.56 C ATOM 1022 O TYR A 102 9.375 -35.302 -3.704 1.00 28.92 O ATOM 1023 CB TYR A 102 9.351 -33.479 -1.197 1.00 24.20 C ATOM 1024 CG TYR A 102 10.351 -32.410 -1.515 1.00 34.19 C ATOM 1025 CD1 TYR A 102 10.085 -31.085 -1.201 1.00 28.07 C ATOM 1026 CD2 TYR A 102 11.518 -32.708 -2.213 1.00 31.32 C ATOM 1027 CE1 TYR A 102 10.970 -30.104 -1.524 1.00 24.55 C ATOM 1028 CE2 TYR A 102 12.406 -31.734 -2.549 1.00 28.60 C ATOM 1029 CZ TYR A 102 12.132 -30.433 -2.213 1.00 25.85 C ATOM 1030 OH TYR A 102 13.014 -29.435 -2.544 1.00 29.33 O ATOM 1031 HH TYR A 102 13.888 -29.613 -2.115 1.00 0.00 H ATOM 1032 H TYR A 102 7.429 -35.316 -1.408 1.00 0.00 H ATOM 1033 N ASP A 103 9.262 -33.215 -4.559 1.00 26.82 N ATOM 1034 CA ASP A 103 9.923 -33.544 -5.818 1.00 32.09 C ATOM 1035 C ASP A 103 11.430 -33.392 -5.613 1.00 32.36 C ATOM 1036 O ASP A 103 11.980 -32.290 -5.679 1.00 25.77 O ATOM 1037 CB ASP A 103 9.385 -32.662 -6.939 1.00 29.56 C ATOM 1038 CG ASP A 103 10.002 -32.974 -8.284 1.00 41.64 C ATOM 1039 OD1 ASP A 103 10.760 -33.966 -8.395 1.00 31.90 O ATOM 1040 OD2 ASP A 103 9.701 -32.226 -9.240 1.00 43.18 O ATOM 1041 H ASP A 103 8.950 -32.236 -4.401 1.00 0.00 H ATOM 1042 N LEU A 104 12.091 -34.511 -5.326 1.00 34.38 N ATOM 1043 CA LEU A 104 13.543 -34.557 -5.168 1.00 29.50 C ATOM 1044 C LEU A 104 14.138 -34.681 -6.571 1.00 32.91 C ATOM 1045 O LEU A 104 14.411 -35.776 -7.068 1.00 29.60 O ATOM 1046 CB LEU A 104 13.936 -35.727 -4.269 1.00 26.05 C ATOM 1047 CG LEU A 104 15.310 -35.894 -3.603 1.00 29.77 C ATOM 1048 CD1 LEU A 104 16.440 -35.952 -4.619 1.00 26.36 C ATOM 1049 CD2 LEU A 104 15.579 -34.806 -2.594 1.00 28.82 C ATOM 1050 H LEU A 104 11.550 -35.392 -5.209 1.00 0.00 H ATOM 1051 N PHE A 105 14.300 -33.538 -7.237 1.00 26.39 N ATOM 1052 CA PHE A 105 14.842 -33.549 -8.589 1.00 30.47 C ATOM 1053 C PHE A 105 16.338 -33.248 -8.582 1.00 31.24 C ATOM 1054 O PHE A 105 16.867 -32.615 -7.667 1.00 26.17 O ATOM 1055 CB PHE A 105 14.094 -32.570 -9.509 1.00 31.82 C ATOM 1056 CG PHE A 105 14.151 -31.121 -9.080 1.00 28.49 C ATOM 1057 CD1 PHE A 105 15.159 -30.271 -9.552 1.00 37.41 C ATOM 1058 CD2 PHE A 105 13.169 -30.591 -8.236 1.00 28.27 C ATOM 1059 CE1 PHE A 105 15.201 -28.934 -9.182 1.00 29.53 C ATOM 1060 CE2 PHE A 105 13.208 -29.253 -7.860 1.00 30.86 C ATOM 1061 CZ PHE A 105 14.216 -28.424 -8.324 1.00 29.38 C ATOM 1062 H PHE A 105 14.039 -32.636 -6.790 1.00 0.00 H ATOM 1063 N LEU A 106 17.019 -33.743 -9.607 1.00 33.09 N ATOM 1064 CA LEU A 106 18.454 -33.558 -9.772 1.00 38.04 C ATOM 1065 C LEU A 106 18.708 -32.915 -11.126 1.00 28.79 C ATOM 1066 O LEU A 106 17.957 -33.140 -12.078 1.00 29.85 O ATOM 1067 CB LEU A 106 19.220 -34.892 -9.696 1.00 34.09 C ATOM 1068 CG LEU A 106 18.777 -35.913 -8.652 1.00 34.60 C ATOM 1069 CD1 LEU A 106 19.503 -37.217 -8.873 1.00 29.49 C ATOM 1070 CD2 LEU A 106 19.006 -35.393 -7.230 1.00 35.87 C ATOM 1071 H LEU A 106 16.504 -34.289 -10.327 1.00 0.00 H ATOM 1072 N HIS A 107 19.761 -32.108 -11.206 1.00 34.25 N ATOM 1073 CA HIS A 107 20.146 -31.497 -12.469 1.00 32.15 C ATOM 1074 C HIS A 107 21.332 -32.238 -13.071 1.00 36.39 C ATOM 1075 O HIS A 107 22.207 -32.727 -12.347 1.00 30.34 O ATOM 1076 CB HIS A 107 20.465 -30.018 -12.286 1.00 38.87 C ATOM 1077 CG HIS A 107 19.244 -29.162 -12.188 1.00 42.06 C ATOM 1078 ND1 HIS A 107 19.288 -27.833 -11.825 1.00 41.03 N ATOM 1079 CD2 HIS A 107 17.939 -29.450 -12.408 1.00 40.82 C ATOM 1080 CE1 HIS A 107 18.061 -27.340 -11.822 1.00 48.92 C ATOM 1081 NE2 HIS A 107 17.224 -28.300 -12.174 1.00 44.13 N ATOM 1082 H HIS A 107 20.319 -31.910 -10.351 1.00 0.00 H ATOM 1083 N LEU A 108 21.339 -32.329 -14.401 1.00 34.38 N ATOM 1084 CA LEU A 108 22.377 -33.064 -15.106 1.00 34.36 C ATOM 1085 C LEU A 108 23.750 -32.440 -14.865 1.00 36.57 C ATOM 1086 O LEU A 108 23.879 -31.260 -14.518 1.00 33.50 O ATOM 1087 CB LEU A 108 22.079 -33.093 -16.604 1.00 34.43 C ATOM 1088 CG LEU A 108 21.019 -34.079 -17.085 1.00 41.63 C ATOM 1089 CD1 LEU A 108 20.623 -33.769 -18.520 1.00 46.76 C ATOM 1090 CD2 LEU A 108 21.519 -35.519 -16.960 1.00 35.20 C ATOM 1091 H LEU A 108 20.585 -31.864 -14.946 1.00 0.00 H ATOM 1092 N GLU A 109 24.787 -33.264 -15.032 1.00 34.57 N ATOM 1093 CA GLU A 109 26.157 -32.760 -15.055 1.00 34.25 C ATOM 1094 C GLU A 109 26.282 -31.662 -16.101 1.00 38.13 C ATOM 1095 O GLU A 109 25.829 -31.816 -17.240 1.00 41.15 O ATOM 1096 CB GLU A 109 27.140 -33.899 -15.367 1.00 34.95 C ATOM 1097 CG GLU A 109 28.587 -33.454 -15.519 1.00 36.48 C ATOM 1098 CD GLU A 109 29.494 -34.555 -16.062 1.00 42.52 C ATOM 1099 OE1 GLU A 109 29.092 -35.739 -16.053 1.00 45.40 O ATOM 1100 OE2 GLU A 109 30.622 -34.232 -16.492 1.00 39.05 O ATOM 1101 H GLU A 109 24.616 -34.283 -15.148 1.00 0.00 H ATOM 1102 N GLY A 110 26.899 -30.552 -15.710 1.00 41.84 N ATOM 1103 CA GLY A 110 27.020 -29.407 -16.581 1.00 42.82 C ATOM 1104 C GLY A 110 26.045 -28.296 -16.284 1.00 50.72 C ATOM 1105 O GLY A 110 26.119 -27.239 -16.926 1.00 41.59 O ATOM 1106 H GLY A 110 27.305 -30.507 -14.753 1.00 0.00 H ATOM 1107 N HIS A 111 25.125 -28.504 -15.354 1.00 44.39 N ATOM 1108 CA HIS A 111 24.243 -27.468 -14.853 1.00 48.46 C ATOM 1109 C HIS A 111 24.559 -27.176 -13.398 1.00 45.53 C ATOM 1110 O HIS A 111 25.173 -27.995 -12.708 1.00 46.90 O ATOM 1111 CB HIS A 111 22.777 -27.891 -14.990 1.00 45.72 C ATOM 1112 CG HIS A 111 22.318 -27.992 -16.408 1.00 46.11 C ATOM 1113 ND1 HIS A 111 22.312 -29.181 -17.105 1.00 51.03 N ATOM 1114 CD2 HIS A 111 21.856 -27.051 -17.263 1.00 52.99 C ATOM 1115 CE1 HIS A 111 21.865 -28.968 -18.330 1.00 50.00 C ATOM 1116 NE2 HIS A 111 21.575 -27.685 -18.449 1.00 55.21 N ATOM 1117 H HIS A 111 25.030 -29.463 -14.962 1.00 0.00 H ATOM 1118 N PRO A 112 24.178 -26.005 -12.901 1.00 44.99 N ATOM 1119 CA PRO A 112 24.486 -25.655 -11.523 1.00 41.88 C ATOM 1120 C PRO A 112 23.825 -26.632 -10.570 1.00 39.56 C ATOM 1121 O PRO A 112 22.858 -27.314 -10.943 1.00 36.65 O ATOM 1122 CB PRO A 112 23.891 -24.249 -11.377 1.00 53.25 C ATOM 1123 CG PRO A 112 23.782 -23.742 -12.753 1.00 49.75 C ATOM 1124 CD PRO A 112 23.471 -24.918 -13.595 1.00 48.28 C ATOM 1125 N PRO A 113 24.334 -26.755 -9.348 1.00 42.30 N ATOM 1126 CA PRO A 113 23.697 -27.645 -8.381 1.00 40.68 C ATOM 1127 C PRO A 113 22.291 -27.155 -8.099 1.00 35.59 C ATOM 1128 O PRO A 113 21.969 -25.979 -8.282 1.00 36.31 O ATOM 1129 CB PRO A 113 24.584 -27.533 -7.131 1.00 42.15 C ATOM 1130 CG PRO A 113 25.816 -26.807 -7.572 1.00 53.14 C ATOM 1131 CD PRO A 113 25.415 -25.965 -8.737 1.00 52.32 C ATOM 1132 N VAL A 114 21.451 -28.083 -7.663 1.00 35.10 N ATOM 1133 CA VAL A 114 20.094 -27.755 -7.237 1.00 30.10 C ATOM 1134 C VAL A 114 20.150 -27.177 -5.834 1.00 30.58 C ATOM 1135 O VAL A 114 20.843 -27.702 -4.959 1.00 31.45 O ATOM 1136 CB VAL A 114 19.197 -29.000 -7.287 1.00 28.22 C ATOM 1137 CG1 VAL A 114 17.840 -28.728 -6.621 1.00 27.50 C ATOM 1138 CG2 VAL A 114 19.040 -29.469 -8.736 1.00 28.46 C ATOM 1139 H VAL A 114 21.768 -29.073 -7.623 1.00 0.00 H ATOM 1140 N ASN A 115 19.443 -26.075 -5.624 1.00 33.55 N ATOM 1141 CA ASN A 115 19.266 -25.506 -4.294 1.00 41.33 C ATOM 1142 C ASN A 115 17.825 -25.006 -4.265 1.00 39.80 C ATOM 1143 O ASN A 115 17.542 -23.883 -4.689 1.00 40.22 O ATOM 1144 CB ASN A 115 20.273 -24.402 -4.027 1.00 42.98 C ATOM 1145 CG ASN A 115 20.207 -23.894 -2.607 1.00 45.55 C ATOM 1146 OD1 ASN A 115 19.440 -24.402 -1.787 1.00 45.67 O ATOM 1147 ND2 ASN A 115 21.026 -22.898 -2.300 1.00 46.97 N ATOM 1148 HD22 ASN A 115 21.656 -22.500 -3.026 1.00 0.00 H ATOM 1149 HD21 ASN A 115 21.038 -22.514 -1.334 1.00 0.00 H ATOM 1150 H ASN A 115 19.000 -25.600 -6.436 1.00 0.00 H ATOM 1151 N HIS A 116 16.917 -25.850 -3.782 1.00 32.82 N ATOM 1152 CA HIS A 116 15.500 -25.613 -3.967 1.00 29.27 C ATOM 1153 C HIS A 116 14.825 -25.385 -2.626 1.00 33.90 C ATOM 1154 O HIS A 116 15.117 -26.081 -1.649 1.00 31.46 O ATOM 1155 CB HIS A 116 14.823 -26.772 -4.680 1.00 28.87 C ATOM 1156 CG HIS A 116 13.407 -26.476 -5.050 1.00 33.26 C ATOM 1157 ND1 HIS A 116 13.071 -25.759 -6.176 1.00 41.42 N ATOM 1158 CD2 HIS A 116 12.243 -26.742 -4.410 1.00 33.85 C ATOM 1159 CE1 HIS A 116 11.757 -25.628 -6.234 1.00 44.87 C ATOM 1160 NE2 HIS A 116 11.231 -26.216 -5.174 1.00 36.27 N ATOM 1161 H HIS A 116 17.230 -26.695 -3.262 1.00 0.00 H ATOM 1162 N LEU A 117 13.924 -24.404 -2.589 1.00 30.00 N ATOM 1163 CA LEU A 117 13.200 -24.055 -1.373 1.00 29.82 C ATOM 1164 C LEU A 117 11.713 -24.007 -1.666 1.00 36.49 C ATOM 1165 O LEU A 117 11.288 -23.386 -2.647 1.00 35.03 O ATOM 1166 CB LEU A 117 13.659 -22.716 -0.810 1.00 35.90 C ATOM 1167 CG LEU A 117 13.176 -22.519 0.619 1.00 45.95 C ATOM 1168 CD1 LEU A 117 13.820 -23.588 1.488 1.00 47.26 C ATOM 1169 CD2 LEU A 117 13.488 -21.126 1.127 1.00 44.15 C ATOM 1170 H LEU A 117 13.730 -23.868 -3.459 1.00 0.00 H ATOM 1171 N ARG A 118 10.930 -24.661 -0.806 1.00 32.54 N ATOM 1172 CA ARG A 118 9.488 -24.786 -0.953 1.00 31.71 C ATOM 1173 C ARG A 118 8.883 -24.387 0.386 1.00 32.89 C ATOM 1174 O ARG A 118 9.099 -25.062 1.396 1.00 35.16 O ATOM 1175 CB ARG A 118 9.101 -26.216 -1.344 1.00 26.92 C ATOM 1176 CG ARG A 118 7.623 -26.470 -1.523 1.00 31.77 C ATOM 1177 CD ARG A 118 7.366 -27.949 -1.803 1.00 33.92 C ATOM 1178 NE ARG A 118 6.009 -28.352 -1.434 1.00 37.46 N ATOM 1179 CZ ARG A 118 5.477 -29.541 -1.705 1.00 42.09 C ATOM 1180 NH1 ARG A 118 6.195 -30.452 -2.361 1.00 37.99 N ATOM 1181 NH2 ARG A 118 4.227 -29.820 -1.328 1.00 34.64 N ATOM 1182 HE ARG A 118 5.420 -27.662 -0.925 1.00 0.00 H ATOM 1183 HH12 ARG A 118 5.783 -31.383 -2.575 1.00 0.00 H ATOM 1184 HH11 ARG A 118 7.167 -30.232 -2.659 1.00 0.00 H ATOM 1185 HH22 ARG A 118 3.815 -30.751 -1.542 1.00 0.00 H ATOM 1186 HH21 ARG A 118 3.665 -29.107 -0.821 1.00 0.00 H ATOM 1187 H ARG A 118 11.378 -25.108 0.019 1.00 0.00 H ATOM 1188 N CYS A 119 8.170 -23.275 0.409 1.00 33.51 N ATOM 1189 CA CYS A 119 7.533 -22.817 1.635 1.00 32.17 C ATOM 1190 C CYS A 119 6.120 -23.372 1.708 1.00 38.40 C ATOM 1191 O CYS A 119 5.410 -23.428 0.703 1.00 39.62 O ATOM 1192 CB CYS A 119 7.516 -21.290 1.684 1.00 33.35 C ATOM 1193 SG CYS A 119 9.138 -20.538 1.390 1.00 47.35 S ATOM 1194 H CYS A 119 8.062 -22.718 -0.463 1.00 0.00 H ATOM 1195 N GLU A 120 5.725 -23.813 2.895 1.00 37.33 N ATOM 1196 CA GLU A 120 4.360 -24.254 3.136 1.00 32.09 C ATOM 1197 C GLU A 120 3.858 -23.608 4.419 1.00 36.93 C ATOM 1198 O GLU A 120 4.630 -23.369 5.352 1.00 37.19 O ATOM 1199 CB GLU A 120 4.259 -25.791 3.237 1.00 28.80 C ATOM 1200 CG GLU A 120 4.734 -26.550 1.992 1.00 40.18 C ATOM 1201 CD GLU A 120 3.640 -26.706 0.948 1.00 52.17 C ATOM 1202 OE1 GLU A 120 2.451 -26.723 1.340 1.00 51.02 O ATOM 1203 OE2 GLU A 120 3.965 -26.808 -0.259 1.00 49.31 O ATOM 1204 H GLU A 120 6.411 -23.844 3.676 1.00 0.00 H ATOM 1205 N LYS A 121 2.564 -23.301 4.438 1.00 34.82 N ATOM 1206 CA LYS A 121 1.875 -22.756 5.599 1.00 38.75 C ATOM 1207 C LYS A 121 0.942 -23.816 6.156 1.00 35.34 C ATOM 1208 O LYS A 121 0.278 -24.527 5.398 1.00 36.95 O ATOM 1209 CB LYS A 121 1.067 -21.508 5.250 1.00 46.35 C ATOM 1210 CG LYS A 121 1.897 -20.276 4.981 1.00 66.17 C ATOM 1211 CD LYS A 121 1.021 -19.034 4.953 1.00 81.72 C ATOM 1212 CE LYS A 121 1.801 -17.819 4.474 1.00 89.55 C ATOM 1213 NZ LYS A 121 2.993 -17.552 5.324 1.00 88.92 N ATOM 1214 HZ1 LYS A 121 2.687 -17.378 6.303 1.00 0.00 H ATOM 1215 HZ2 LYS A 121 3.627 -18.376 5.299 1.00 0.00 H ATOM 1216 HZ3 LYS A 121 3.495 -16.716 4.962 1.00 0.00 H ATOM 1217 H LYS A 121 2.011 -23.460 3.572 1.00 0.00 H ATOM 1218 N LEU A 122 0.915 -23.941 7.476 1.00 29.79 N ATOM 1219 CA LEU A 122 0.005 -24.852 8.148 1.00 32.72 C ATOM 1220 C LEU A 122 -0.908 -24.037 9.041 1.00 34.43 C ATOM 1221 O LEU A 122 -0.441 -23.142 9.747 1.00 34.25 O ATOM 1222 CB LEU A 122 0.759 -25.879 8.981 1.00 37.95 C ATOM 1223 CG LEU A 122 1.680 -26.792 8.176 1.00 36.88 C ATOM 1224 CD1 LEU A 122 2.445 -27.686 9.102 1.00 24.23 C ATOM 1225 CD2 LEU A 122 0.865 -27.605 7.181 1.00 40.34 C ATOM 1226 H LEU A 122 1.567 -23.368 8.049 1.00 0.00 H ATOM 1227 N THR A 123 -2.202 -24.353 9.013 1.00 29.21 N ATOM 1228 CA THR A 123 -3.203 -23.663 9.817 1.00 41.28 C ATOM 1229 C THR A 123 -3.859 -24.640 10.785 1.00 36.91 C ATOM 1230 O THR A 123 -4.332 -25.707 10.376 1.00 33.51 O ATOM 1231 CB THR A 123 -4.275 -23.017 8.940 1.00 46.27 C ATOM 1232 OG1 THR A 123 -3.671 -22.022 8.103 1.00 53.61 O ATOM 1233 CG2 THR A 123 -5.374 -22.372 9.823 1.00 36.74 C ATOM 1234 HG1 THR A 123 -2.986 -22.447 7.529 1.00 0.00 H ATOM 1235 H THR A 123 -2.512 -25.126 8.390 1.00 0.00 H ATOM 1236 N PHE A 124 -3.885 -24.272 12.061 1.00 32.08 N ATOM 1237 CA PHE A 124 -4.592 -25.023 13.087 1.00 35.11 C ATOM 1238 C PHE A 124 -5.662 -24.119 13.680 1.00 30.30 C ATOM 1239 O PHE A 124 -5.340 -23.088 14.276 1.00 33.26 O ATOM 1240 CB PHE A 124 -3.628 -25.518 14.165 1.00 28.67 C ATOM 1241 CG PHE A 124 -2.506 -26.362 13.614 1.00 30.61 C ATOM 1242 CD1 PHE A 124 -2.667 -27.734 13.461 1.00 32.47 C ATOM 1243 CD2 PHE A 124 -1.306 -25.780 13.217 1.00 25.68 C ATOM 1244 CE1 PHE A 124 -1.648 -28.520 12.947 1.00 31.13 C ATOM 1245 CE2 PHE A 124 -0.274 -26.567 12.689 1.00 31.00 C ATOM 1246 CZ PHE A 124 -0.447 -27.930 12.557 1.00 25.89 C ATOM 1247 H PHE A 124 -3.377 -23.408 12.339 1.00 0.00 H ATOM 1248 N ASN A 125 -6.924 -24.494 13.486 1.00 31.57 N ATOM 1249 CA ASN A 125 -8.054 -23.760 14.053 1.00 33.77 C ATOM 1250 C ASN A 125 -8.383 -24.351 15.413 1.00 39.44 C ATOM 1251 O ASN A 125 -8.561 -25.568 15.533 1.00 42.59 O ATOM 1252 CB ASN A 125 -9.279 -23.828 13.139 1.00 41.50 C ATOM 1253 CG ASN A 125 -8.976 -23.397 11.713 1.00 52.54 C ATOM 1254 OD1 ASN A 125 -8.795 -22.212 11.429 1.00 51.63 O ATOM 1255 ND2 ASN A 125 -8.924 -24.366 10.804 1.00 62.15 N ATOM 1256 HD22 ASN A 125 -9.083 -25.354 11.087 1.00 0.00 H ATOM 1257 HD21 ASN A 125 -8.724 -24.136 9.810 1.00 0.00 H ATOM 1258 H ASN A 125 -7.113 -25.339 12.911 1.00 0.00 H ATOM 1259 N ASN A 126 -8.456 -23.497 16.427 1.00 35.77 N ATOM 1260 CA ASN A 126 -8.779 -23.894 17.794 1.00 35.59 C ATOM 1261 C ASN A 126 -8.028 -25.143 18.258 1.00 40.70 C ATOM 1262 O ASN A 126 -8.646 -26.117 18.708 1.00 42.47 O ATOM 1263 CB ASN A 126 -10.281 -24.087 17.951 1.00 34.76 C ATOM 1264 CG ASN A 126 -11.037 -22.841 17.636 1.00 42.26 C ATOM 1265 OD1 ASN A 126 -10.887 -21.834 18.323 1.00 47.84 O ATOM 1266 ND2 ASN A 126 -11.849 -22.883 16.588 1.00 45.48 N ATOM 1267 HD22 ASN A 126 -11.942 -23.760 16.037 1.00 0.00 H ATOM 1268 HD21 ASN A 126 -12.393 -22.039 16.317 1.00 0.00 H ATOM 1269 H ASN A 126 -8.273 -22.491 16.237 1.00 0.00 H ATOM 1270 N PRO A 127 -6.693 -25.145 18.194 1.00 38.91 N ATOM 1271 CA PRO A 127 -5.937 -26.273 18.741 1.00 30.82 C ATOM 1272 C PRO A 127 -6.143 -26.373 20.246 1.00 35.59 C ATOM 1273 O PRO A 127 -6.609 -25.435 20.900 1.00 29.20 O ATOM 1274 CB PRO A 127 -4.478 -25.934 18.393 1.00 24.51 C ATOM 1275 CG PRO A 127 -4.471 -24.453 18.332 1.00 34.43 C ATOM 1276 CD PRO A 127 -5.799 -24.054 17.755 1.00 32.75 C ATOM 1277 N THR A 128 -5.808 -27.533 20.799 1.00 32.26 N ATOM 1278 CA THR A 128 -5.864 -27.667 22.250 1.00 36.72 C ATOM 1279 C THR A 128 -4.905 -26.672 22.877 1.00 38.13 C ATOM 1280 O THR A 128 -3.919 -26.251 22.261 1.00 34.61 O ATOM 1281 CB THR A 128 -5.492 -29.080 22.709 1.00 49.84 C ATOM 1282 OG1 THR A 128 -4.093 -29.301 22.486 1.00 47.02 O ATOM 1283 CG2 THR A 128 -6.292 -30.122 21.956 1.00 52.69 C ATOM 1284 HG1 THR A 128 -3.853 -30.214 22.783 1.00 0.00 H ATOM 1285 H THR A 128 -5.510 -28.334 20.206 1.00 0.00 H ATOM 1286 N GLU A 129 -5.206 -26.290 24.113 1.00 34.50 N ATOM 1287 CA GLU A 129 -4.336 -25.364 24.820 1.00 42.29 C ATOM 1288 C GLU A 129 -2.888 -25.841 24.810 1.00 43.36 C ATOM 1289 O GLU A 129 -1.972 -25.052 24.556 1.00 37.05 O ATOM 1290 CB GLU A 129 -4.836 -25.184 26.244 1.00 46.27 C ATOM 1291 CG GLU A 129 -3.859 -24.516 27.184 1.00 48.93 C ATOM 1292 CD GLU A 129 -4.483 -24.314 28.546 1.00 61.32 C ATOM 1293 OE1 GLU A 129 -5.304 -23.378 28.680 1.00 54.42 O ATOM 1294 OE2 GLU A 129 -4.186 -25.114 29.461 1.00 66.38 O ATOM 1295 H GLU A 129 -6.064 -26.653 24.575 1.00 0.00 H ATOM 1296 N ASP A 130 -2.663 -27.135 25.062 1.00 39.28 N ATOM 1297 CA ASP A 130 -1.297 -27.641 25.094 1.00 40.18 C ATOM 1298 C ASP A 130 -0.631 -27.487 23.732 1.00 31.20 C ATOM 1299 O ASP A 130 0.491 -26.977 23.635 1.00 33.69 O ATOM 1300 CB ASP A 130 -1.269 -29.100 25.545 1.00 43.59 C ATOM 1301 CG ASP A 130 0.146 -29.671 25.580 1.00 55.54 C ATOM 1302 OD1 ASP A 130 0.861 -29.422 26.580 1.00 60.15 O ATOM 1303 OD2 ASP A 130 0.546 -30.361 24.608 1.00 55.12 O ATOM 1304 H ASP A 130 -3.461 -27.779 25.235 1.00 0.00 H ATOM 1305 N PHE A 131 -1.325 -27.893 22.665 1.00 29.97 N ATOM 1306 CA PHE A 131 -0.737 -27.781 21.335 1.00 30.41 C ATOM 1307 C PHE A 131 -0.541 -26.325 20.939 1.00 35.66 C ATOM 1308 O PHE A 131 0.473 -25.970 20.326 1.00 32.15 O ATOM 1309 CB PHE A 131 -1.600 -28.503 20.302 1.00 28.06 C ATOM 1310 CG PHE A 131 -0.888 -28.743 18.988 1.00 27.61 C ATOM 1311 CD1 PHE A 131 0.352 -29.350 18.970 1.00 29.10 C ATOM 1312 CD2 PHE A 131 -1.456 -28.357 17.785 1.00 33.25 C ATOM 1313 CE1 PHE A 131 1.016 -29.574 17.776 1.00 29.28 C ATOM 1314 CE2 PHE A 131 -0.796 -28.577 16.582 1.00 38.86 C ATOM 1315 CZ PHE A 131 0.436 -29.182 16.579 1.00 30.47 C ATOM 1316 H PHE A 131 -2.280 -28.287 22.782 1.00 0.00 H ATOM 1317 N ARG A 132 -1.496 -25.466 21.296 1.00 28.88 N ATOM 1318 CA ARG A 132 -1.375 -24.051 20.966 1.00 25.71 C ATOM 1319 C ARG A 132 -0.081 -23.470 21.518 1.00 28.75 C ATOM 1320 O ARG A 132 0.649 -22.759 20.813 1.00 30.16 O ATOM 1321 CB ARG A 132 -2.578 -23.281 21.507 1.00 28.21 C ATOM 1322 CG ARG A 132 -2.548 -21.801 21.162 1.00 31.20 C ATOM 1323 CD ARG A 132 -3.766 -21.105 21.704 1.00 38.00 C ATOM 1324 NE ARG A 132 -3.771 -21.039 23.159 1.00 38.90 N ATOM 1325 CZ ARG A 132 -4.746 -21.532 23.917 1.00 44.89 C ATOM 1326 NH1 ARG A 132 -5.787 -22.121 23.345 1.00 33.91 N ATOM 1327 NH2 ARG A 132 -4.691 -21.417 25.242 1.00 39.73 N ATOM 1328 HE ARG A 132 -2.966 -20.580 23.632 1.00 0.00 H ATOM 1329 HH12 ARG A 132 -6.553 -22.509 23.932 1.00 0.00 H ATOM 1330 HH11 ARG A 132 -5.838 -22.195 22.309 1.00 0.00 H ATOM 1331 HH22 ARG A 132 -5.456 -21.805 25.830 1.00 0.00 H ATOM 1332 HH21 ARG A 132 -3.883 -20.940 25.689 1.00 0.00 H ATOM 1333 H ARG A 132 -2.332 -25.807 21.813 1.00 0.00 H ATOM 1334 N ARG A 133 0.223 -23.769 22.780 1.00 27.82 N ATOM 1335 CA ARG A 133 1.421 -23.208 23.388 1.00 30.91 C ATOM 1336 C ARG A 133 2.672 -23.768 22.739 1.00 32.20 C ATOM 1337 O ARG A 133 3.669 -23.051 22.624 1.00 34.66 O ATOM 1338 CB ARG A 133 1.436 -23.470 24.889 1.00 31.17 C ATOM 1339 CG ARG A 133 0.273 -22.820 25.643 1.00 44.97 C ATOM 1340 CD ARG A 133 0.311 -23.191 27.116 1.00 51.15 C ATOM 1341 NE ARG A 133 -0.907 -22.793 27.820 1.00 66.62 N ATOM 1342 CZ ARG A 133 -1.005 -21.728 28.611 1.00 75.52 C ATOM 1343 NH1 ARG A 133 0.047 -20.943 28.809 1.00 81.70 N ATOM 1344 NH2 ARG A 133 -2.157 -21.448 29.206 1.00 71.13 N ATOM 1345 HE ARG A 133 -1.754 -23.383 27.694 1.00 0.00 H ATOM 1346 HH12 ARG A 133 -0.034 -20.111 29.428 1.00 0.00 H ATOM 1347 HH11 ARG A 133 0.952 -21.160 28.345 1.00 0.00 H ATOM 1348 HH22 ARG A 133 -2.234 -20.615 29.824 1.00 0.00 H ATOM 1349 HH21 ARG A 133 -2.983 -22.061 29.054 1.00 0.00 H ATOM 1350 H ARG A 133 -0.394 -24.401 23.329 1.00 0.00 H ATOM 1351 N LYS A 134 2.627 -25.031 22.295 1.00 30.60 N ATOM 1352 CA LYS A 134 3.751 -25.609 21.560 1.00 29.51 C ATOM 1353 C LYS A 134 3.937 -24.920 20.211 1.00 31.25 C ATOM 1354 O LYS A 134 5.049 -24.501 19.862 1.00 35.51 O ATOM 1355 CB LYS A 134 3.536 -27.109 21.360 1.00 30.54 C ATOM 1356 CG LYS A 134 3.713 -27.928 22.604 1.00 36.27 C ATOM 1357 CD LYS A 134 3.613 -29.412 22.313 1.00 30.92 C ATOM 1358 CE LYS A 134 4.056 -30.241 23.518 1.00 33.73 C ATOM 1359 NZ LYS A 134 3.459 -29.732 24.800 1.00 44.78 N ATOM 1360 HZ1 LYS A 134 3.758 -28.748 24.954 1.00 0.00 H ATOM 1361 HZ2 LYS A 134 2.422 -29.775 24.739 1.00 0.00 H ATOM 1362 HZ3 LYS A 134 3.785 -30.323 25.591 1.00 0.00 H ATOM 1363 H LYS A 134 1.781 -25.608 22.476 1.00 0.00 H ATOM 1364 N LEU A 135 2.856 -24.812 19.436 1.00 24.49 N ATOM 1365 CA LEU A 135 2.894 -24.099 18.167 1.00 26.15 C ATOM 1366 C LEU A 135 3.497 -22.707 18.309 1.00 33.55 C ATOM 1367 O LEU A 135 4.326 -22.287 17.487 1.00 26.96 O ATOM 1368 CB LEU A 135 1.483 -24.007 17.592 1.00 28.60 C ATOM 1369 CG LEU A 135 0.890 -25.292 17.017 1.00 26.22 C ATOM 1370 CD1 LEU A 135 -0.558 -25.033 16.685 1.00 28.33 C ATOM 1371 CD2 LEU A 135 1.665 -25.763 15.746 1.00 18.98 C ATOM 1372 H LEU A 135 1.964 -25.248 19.746 1.00 0.00 H ATOM 1373 N LEU A 136 3.095 -21.977 19.344 1.00 32.63 N ATOM 1374 CA LEU A 136 3.468 -20.578 19.467 1.00 34.53 C ATOM 1375 C LEU A 136 4.856 -20.378 20.058 1.00 28.02 C ATOM 1376 O LEU A 136 5.323 -19.239 20.111 1.00 32.94 O ATOM 1377 CB LEU A 136 2.404 -19.840 20.295 1.00 34.52 C ATOM 1378 CG LEU A 136 1.068 -19.740 19.540 1.00 27.93 C ATOM 1379 CD1 LEU A 136 -0.031 -19.098 20.386 1.00 30.23 C ATOM 1380 CD2 LEU A 136 1.249 -18.973 18.212 1.00 33.71 C ATOM 1381 H LEU A 136 2.503 -22.415 20.079 1.00 0.00 H ATOM 1382 N LYS A 137 5.525 -21.439 20.503 1.00 33.71 N ATOM 1383 CA LYS A 137 6.943 -21.325 20.821 1.00 31.89 C ATOM 1384 C LYS A 137 7.817 -21.336 19.574 1.00 30.99 C ATOM 1385 O LYS A 137 8.978 -20.920 19.645 1.00 33.30 O ATOM 1386 CB LYS A 137 7.370 -22.453 21.761 1.00 35.38 C ATOM 1387 CG LYS A 137 6.738 -22.365 23.158 1.00 45.21 C ATOM 1388 CD LYS A 137 6.806 -23.701 23.901 1.00 56.28 C ATOM 1389 CE LYS A 137 5.722 -23.800 24.985 1.00 71.97 C ATOM 1390 NZ LYS A 137 5.513 -25.194 25.505 1.00 74.61 N ATOM 1391 HZ1 LYS A 137 5.226 -25.815 24.722 1.00 0.00 H ATOM 1392 HZ2 LYS A 137 6.400 -25.544 25.920 1.00 0.00 H ATOM 1393 HZ3 LYS A 137 4.769 -25.184 26.231 1.00 0.00 H ATOM 1394 H LYS A 137 5.036 -22.349 20.624 1.00 0.00 H ATOM 1395 N ALA A 138 7.287 -21.794 18.439 1.00 33.96 N ATOM 1396 CA ALA A 138 8.059 -21.916 17.201 1.00 31.97 C ATOM 1397 C ALA A 138 8.040 -20.623 16.391 1.00 38.24 C ATOM 1398 O ALA A 138 7.081 -19.857 16.432 1.00 36.76 O ATOM 1399 CB ALA A 138 7.532 -23.043 16.369 1.00 22.19 C ATOM 1400 OXT ALA A 138 8.991 -20.318 15.663 1.00 31.10 O ATOM 1401 H ALA A 138 6.286 -22.076 18.433 1.00 0.00 H TER 1402 ALA A 138 HETATM 1403 O HOH 1 0.038 -31.267 22.621 1.00 33.17 O HETATM 1404 O HOH 2 -6.329 -34.921 10.956 1.00 30.00 O HETATM 1405 O HOH 3 -6.601 -22.209 27.050 1.00 55.05 O HETATM 1406 O HOH 4 13.292 -25.415 12.641 1.00 30.00 O HETATM 1407 O HOH 5 15.371 -29.390 10.111 1.00 29.36 O HETATM 1408 O HOH 6 22.781 -39.955 -12.939 1.00 27.93 O HETATM 1409 O HOH 7 22.781 -44.119 -1.954 1.00 37.63 O HETATM 1410 O HOH 8 24.532 -35.737 -14.644 1.00 29.47 O HETATM 1411 O HOH 9 15.258 -27.392 -13.456 1.00 38.24 O HETATM 1412 O HOH 10 1.509 -41.806 1.303 1.00 38.24 O HETATM 1413 O HOH 11 -14.921 -16.495 18.856 1.00 44.20 O HETATM 1414 O HOH 12 18.612 -40.241 -6.165 1.00 26.87 O HETATM 1415 O HOH 13 3.529 -20.755 23.825 1.00 35.18 O HETATM 1416 O HOH 14 1.411 -17.604 7.935 1.00 38.24 O HETATM 1417 O HOH 15 9.819 -42.049 -2.763 1.00 42.70 O HETATM 1418 O HOH 16 19.608 -40.798 -14.076 1.00 28.02 O HETATM 1419 O HOH 17 -9.359 -21.695 20.452 1.00 33.77 O HETATM 1420 O HOH 18 17.319 -40.954 10.594 1.00 38.24 O HETATM 1421 O HOH 19 31.729 -32.271 -15.108 1.00 32.07 O HETATM 1422 O HOH 20 17.388 -25.551 -0.389 1.00 36.67 O HETATM 1423 O HOH 21 10.981 -33.510 17.151 1.00 26.65 O HETATM 1424 O HOH 22 11.255 -33.137 21.158 1.00 45.61 O HETATM 1425 O HOH 23 32.260 -34.443 -4.901 1.00 54.57 O HETATM 1426 O HOH 24 27.147 -37.016 -14.692 1.00 35.40 O HETATM 1427 O HOH 25 -8.296 -20.183 9.725 1.00 46.69 O HETATM 1428 O HOH 26 11.609 -20.582 16.926 1.00 30.00 O HETATM 1429 O HOH 27 33.011 -33.830 -2.275 1.00 38.24 O HETATM 1430 O HOH 28 15.143 -24.751 -7.630 1.00 38.24 O HETATM 1431 O HOH 29 9.127 -40.910 -8.107 1.00 45.93 O HETATM 1432 O HOH 30 11.078 -29.790 -5.074 1.00 27.50 O HETATM 1433 O HOH 31 29.081 -37.855 -10.681 1.00 38.16 O HETATM 1434 O HOH 32 0.818 -26.517 3.613 1.00 44.13 O HETATM 1435 O HOH 33 -6.395 -38.950 11.356 1.00 38.24 O HETATM 1436 O HOH 34 2.507 -32.441 -1.662 1.00 40.07 O HETATM 1437 O HOH 35 18.677 -35.576 12.607 1.00 54.11 O HETATM 1438 O HOH 36 9.228 -45.446 0.567 1.00 42.47 O HETATM 1439 O HOH 37 -1.531 -34.092 5.068 1.00 45.34 O HETATM 1440 O HOH 38 9.109 -27.268 23.682 1.00 51.59 O HETATM 1441 O HOH 39 32.668 -37.138 -5.814 1.00 45.77 O HETATM 1442 O HOH 40 28.040 -30.291 -13.146 1.00 30.00 O HETATM 1443 O HOH 41 21.573 -45.907 1.822 1.00 47.89 O HETATM 1444 O HOH 42 28.028 -45.734 -1.688 1.00 38.24 O HETATM 1445 O HOH 43 -3.229 -34.648 7.405 1.00 46.19 O HETATM 1446 O HOH 44 -2.647 -19.998 26.804 1.00 47.27 O HETATM 1447 O HOH 45 1.809 -37.394 16.193 1.00 38.24 O HETATM 1448 O HOH 46 -4.421 -29.021 26.293 1.00 47.41 O HETATM 1449 O HOH 47 34.374 -41.061 -4.188 1.00 38.24 O HETATM 1450 O HOH 48 31.326 -36.262 -3.361 1.00 62.57 O HETATM 1451 O HOH 49 15.020 -19.612 5.919 1.00 38.24 O HETATM 1452 O HOH 50 8.132 -31.820 23.752 1.00 49.14 O HETATM 1453 O HOH 51 26.935 -41.795 -0.229 1.00 38.24 O HETATM 1454 O HOH 52 8.504 -30.451 -4.274 1.00 26.22 O HETATM 1455 O HOH 53 10.396 -36.527 19.329 1.00 45.76 O HETATM 1456 O HOH 54 22.055 -31.543 -9.555 1.00 34.93 O HETATM 1457 O HOH 55 13.663 -22.619 -4.838 1.00 32.45 O HETATM 1458 O HOH 56 -4.055 -28.349 9.252 1.00 30.00 O HETATM 1459 O HOH 57 25.699 -30.219 -9.623 1.00 36.71 O HETATM 1460 O HOH 58 -6.506 -22.564 20.571 1.00 31.15 O HETATM 1461 O HOH 59 0.428 -19.026 26.665 1.00 30.00 O HETATM 1462 O HOH 60 13.831 -50.979 -0.300 1.00 47.17 O HETATM 1463 O HOH 61 0.760 -43.042 10.913 1.00 49.32 O HETATM 1464 O HOH 62 -4.789 -29.673 19.099 1.00 39.47 O HETATM 1465 O HOH 63 8.604 -45.759 2.949 1.00 55.66 O HETATM 1466 O HOH 64 7.564 -29.210 22.930 1.00 37.72 O HETATM 1467 O HOH 65 -10.881 -20.793 22.920 1.00 41.73 O HETATM 1468 O HOH 66 8.330 -26.202 -4.778 1.00 44.12 O HETATM 1469 O HOH 67 -10.866 -17.787 15.200 1.00 49.48 O HETATM 1470 O HOH 68 21.023 -38.866 6.376 1.00 47.37 O HETATM 1471 O HOH 69 9.075 -46.187 -4.493 1.00 30.00 O HETATM 1472 O HOH 70 31.666 -46.166 -10.862 1.00 51.09 O HETATM 1473 O HOH 71 -2.445 -31.754 22.614 1.00 43.21 O HETATM 1474 O HOH 72 -2.085 -21.669 32.159 1.00 38.24 O HETATM 1475 O HOH 73 30.223 -32.551 -18.905 1.00 37.98 O HETATM 1476 O HOH 74 14.986 -44.353 10.099 1.00 41.42 O HETATM 1477 O HOH 75 -1.675 -19.392 24.496 1.00 29.02 O HETATM 1478 O HOH 76 -2.663 -23.232 5.569 1.00 52.40 O HETATM 1479 O HOH 77 -7.420 -27.170 12.220 1.00 48.70 O HETATM 1480 O HOH 78 19.940 -30.852 -20.974 1.00 38.24 O HETATM 1481 O HOH 79 -2.896 -26.873 7.525 1.00 40.14 O HETATM 1482 O HOH 80 4.078 -36.669 20.514 1.00 53.44 O HETATM 1483 O HOH 81 -5.086 -22.702 31.614 1.00 38.24 O HETATM 1484 O HOH 82 23.837 -30.429 -11.256 1.00 38.92 O HETATM 1485 O HOH 83 -7.540 -27.403 25.678 1.00 41.01 O HETATM 1486 O HOH 84 3.887 -24.647 -2.388 1.00 38.24 O HETATM 1487 O HOH 85 -3.797 -17.079 12.042 1.00 38.21 O HETATM 1488 O HOH 86 17.935 -25.008 -8.065 1.00 38.24 O HETATM 1489 O HOH 87 18.934 -24.009 8.939 1.00 30.00 O HETATM 1490 O HOH 88 24.741 -36.174 0.508 1.00 38.04 O HETATM 1491 O HOH 89 16.662 -38.379 14.371 1.00 56.37 O HETATM 1492 O HOH 90 2.878 -26.883 25.849 1.00 38.24 O HETATM 1493 O HOH 91 7.975 -29.669 -8.965 1.00 38.24 O HETATM 1494 O HOH 92 -10.243 -26.986 9.805 1.00 38.24 O HETATM 1495 O HOH 93 18.953 -41.462 6.788 1.00 54.07 O HETATM 1496 O HOH 94 2.300 -43.551 12.523 1.00 43.36 O HETATM 1497 O HOH 95 4.532 -16.451 18.857 1.00 30.00 O HETATM 1498 O HOH 96 21.411 -41.368 5.346 1.00 38.24 O HETATM 1499 O HOH 97 8.982 -19.594 5.250 1.00 45.73 O HETATM 1500 O HOH 98 31.711 -35.525 -12.700 1.00 38.24 O HETATM 1501 O HOH 99 29.229 -41.028 -0.564 1.00 30.00 O HETATM 1502 O HOH 100 26.360 -24.490 -15.259 1.00 30.00 O HETATM 1503 O HOH 101 11.074 -29.446 22.233 1.00 38.24 O HETATM 1504 O HOH 102 0.000 -28.408 0.000 1.00 39.93 O HETATM 1505 O HOH 103 25.148 -33.736 0.976 1.00 46.71 O HETATM 1506 O HOH 104 25.934 -38.292 0.665 1.00 47.43 O HETATM 1507 O HOH 105 6.936 -20.717 4.659 1.00 49.20 O HETATM 1508 O HOH 106 -3.119 -23.654 32.352 1.00 38.24 O HETATM 1509 O HOH 107 27.863 -28.341 -10.535 1.00 38.24 O HETATM 1510 O HOH 108 28.647 -27.884 -12.695 1.00 38.24 O HETATM 1511 O HOH 109 3.327 -43.611 14.535 1.00 38.24 O HETATM 1512 O HOH 110 24.383 -31.867 -1.339 1.00 52.92 O HETATM 1513 O HOH 111 0.559 -26.055 28.318 1.00 30.00 O HETATM 1514 O HOH 112 -3.855 -31.829 25.063 1.00 51.77 O HETATM 1515 O HOH 113 27.756 -25.435 -12.906 1.00 38.24 O HETATM 1516 O HOH 114 14.991 -12.745 12.609 1.00 30.00 O HETATM 1517 O HOH 115 -11.007 -20.006 14.456 1.00 54.92 O HETATM 1518 O HOH 116 1.491 -39.828 16.084 1.00 38.24 O HETATM 1519 O HOH 117 15.996 -25.644 -9.886 1.00 30.00 O HETATM 1520 O HOH 118 4.486 -43.875 1.532 1.00 30.00 O HETATM 1521 O HOH 119 0.000 -31.065 0.000 1.00 51.14 O HETATM 1522 O HOH 120 9.638 -28.684 -7.632 1.00 52.51 O HETATM 1523 O HOH 121 29.610 -38.158 -13.109 1.00 30.00 O HETATM 1524 O HOH 122 3.272 -42.458 3.028 1.00 30.00 O HETATM 1525 O HOH 123 6.728 -30.016 -6.155 1.00 56.03 O HETATM 1526 O HOH 124 25.777 -40.508 1.542 1.00 38.24 O HETATM 1527 O HOH 125 17.389 -43.459 10.131 1.00 38.24 O HETATM 1528 O HOH 126 19.004 -27.536 6.841 1.00 30.00 O HETATM 1529 O HOH 127 22.270 -46.501 -1.337 1.00 43.06 O HETATM 1530 O HOH 128 14.698 -27.384 12.423 1.00 41.72 O HETATM 1531 O HOH 129 -2.318 -21.442 3.478 1.00 38.24 O HETATM 1532 O HOH 130 19.077 -38.497 11.999 1.00 38.24 O HETATM 1533 O HOH 131 -0.132 -44.102 -1.592 1.00 38.24 O HETATM 1534 O HOH 132 21.351 -38.694 11.683 1.00 38.24 O HETATM 1535 O HOH 133 10.414 -32.067 -11.858 1.00 43.89 O HETATM 1536 O HOH 134 11.862 -46.238 -11.510 1.00 53.39 O HETATM 1537 O HOH 135 15.625 -35.574 -11.584 1.00 28.08 O HETATM 1538 O HOH 136 13.104 -40.529 -16.625 1.00 28.24 O HETATM 1539 O HOH 137 8.743 -38.918 -10.632 1.00 47.93 O HETATM 1540 O HOH 138 13.327 -36.056 -16.321 1.00 47.26 O HETATM 1541 O HOH 139 13.363 -29.056 -13.295 1.00 38.24 O HETATM 1542 O HOH 140 15.450 -28.667 -20.142 1.00 30.00 O HETATM 1543 O HOH 141 14.254 -31.305 -18.009 1.00 56.00 O HETATM 1544 O HOH 142 5.588 -47.329 -8.949 1.00 30.00 O HETATM 1545 O HOH 143 11.290 -28.451 -11.578 1.00 41.64 O HETATM 1546 N LYS A 144 17.273 -30.797 -18.854 1.00 0.24 N HETATM 1547 CA LYS A 144 17.956 -30.127 -17.744 1.00 0.07 C HETATM 1548 C LYS A 144 17.966 -30.953 -16.454 1.00 0.23 C HETATM 1549 O LYS A 144 18.945 -30.928 -15.699 1.00 -0.39 O HETATM 1550 N LYS A 144 16.884 -31.685 -16.203 1.00 -0.26 N HETATM 1551 CA LYS A 144 16.893 -32.661 -15.127 1.00 0.13 C HETATM 1552 C LYS A 144 17.554 -33.954 -15.580 1.00 0.20 C HETATM 1553 O LYS A 144 17.624 -34.260 -16.774 1.00 -0.39 O HETATM 1554 N LYS A 144 18.046 -34.715 -14.598 1.00 -0.26 N HETATM 1555 CA LYS A 144 18.436 -36.105 -14.813 1.00 0.16 C HETATM 1556 C LYS A 144 17.197 -36.950 -15.111 1.00 0.21 C HETATM 1557 O LYS A 144 16.050 -36.486 -15.041 1.00 -0.39 O HETATM 1558 N LYS A 144 17.432 -38.220 -15.411 1.00 -0.26 N HETATM 1559 CA LYS A 144 16.334 -39.166 -15.484 1.00 0.13 C HETATM 1560 C LYS A 144 15.714 -39.352 -14.098 1.00 0.20 C HETATM 1561 O LYS A 144 16.288 -38.985 -13.070 1.00 -0.39 O HETATM 1562 N LYS A 144 14.536 -39.953 -14.087 1.00 -0.26 N HETATM 1563 CA LYS A 144 13.772 -40.107 -12.854 1.00 0.13 C HETATM 1564 C LYS A 144 13.369 -41.554 -12.619 1.00 0.20 C HETATM 1565 O LYS A 144 13.225 -42.329 -13.556 1.00 -0.39 O HETATM 1566 N LYS A 144 13.192 -41.912 -11.356 1.00 -0.26 N HETATM 1567 CA LYS A 144 12.627 -43.194 -11.007 1.00 0.13 C HETATM 1568 C LYS A 144 11.175 -43.087 -10.539 1.00 0.20 C HETATM 1569 O LYS A 144 10.702 -42.070 -10.010 1.00 -0.39 O HETATM 1570 N LYS A 144 10.436 -44.175 -10.755 1.00 -0.27 N HETATM 1571 CA LYS A 144 9.121 -44.350 -10.135 1.00 0.12 C HETATM 1572 C LYS A 144 8.784 -45.829 -9.992 1.00 0.06 C HETATM 1573 O LYS A 144 9.161 -46.644 -10.835 1.00 -0.57 O HETATM 1574 OXT LYS A 144 8.129 -46.234 -9.031 1.00 -0.57 O HETATM 1575 CB LYS A 144 8.027 -43.651 -10.937 1.00 0.08 C HETATM 1576 OG LYS A 144 6.768 -43.866 -10.322 1.00 -0.39 O HETATM 1577 H71 LYS A 144 6.588 -44.798 -10.290 1.00 0.21 H HETATM 1578 H69 LYS A 144 8.008 -44.057 -11.959 1.00 0.06 H HETATM 1579 H70 LYS A 144 8.235 -42.572 -10.975 1.00 0.06 H HETATM 1580 H68 LYS A 144 9.154 -43.901 -9.131 1.00 0.07 H HETATM 1581 H67 LYS A 144 10.789 -44.891 -11.357 1.00 0.19 H HETATM 1582 CB LYS A 144 13.406 -43.958 -9.919 1.00 -0.01 C HETATM 1583 CG LYS A 144 14.566 -43.187 -9.320 1.00 -0.05 C HETATM 1584 CD LYS A 144 15.326 -44.067 -8.340 1.00 -0.03 C HETATM 1585 CE LYS A 144 16.557 -43.344 -7.785 1.00 0.03 C HETATM 1586 NZ LYS A 144 17.399 -44.095 -6.886 1.00 -0.29 N HETATM 1587 CAN LYS A 144 18.717 -43.717 -6.636 1.00 0.18 C HETATM 1588 OAD LYS A 144 19.202 -42.714 -7.198 1.00 -0.40 O HETATM 1589 CAJ LYS A 144 19.564 -44.547 -5.681 1.00 0.04 C HETATM 1590 CAF LYS A 144 18.905 -45.843 -5.260 1.00 -0.04 C HETATM 1591 CAA LYS A 144 19.719 -46.514 -4.188 1.00 -0.06 C HETATM 1592 H60 LYS A 144 19.230 -47.454 -3.891 1.00 0.02 H HETATM 1593 H61 LYS A 144 19.796 -45.849 -3.315 1.00 0.02 H HETATM 1594 H62 LYS A 144 20.726 -46.730 -4.574 1.00 0.02 H HETATM 1595 H63 LYS A 144 17.898 -45.630 -4.872 1.00 0.03 H HETATM 1596 H64 LYS A 144 18.828 -46.511 -6.130 1.00 0.03 H HETATM 1597 H65 LYS A 144 20.516 -44.786 -6.178 1.00 0.05 H HETATM 1598 H66 LYS A 144 19.761 -43.948 -4.780 1.00 0.05 H HETATM 1599 H59 LYS A 144 17.029 -44.905 -6.432 1.00 0.18 H HETATM 1600 H55 LYS A 144 16.205 -42.453 -7.245 1.00 0.05 H HETATM 1601 H56 LYS A 144 17.175 -43.034 -8.640 1.00 0.05 H HETATM 1602 H53 LYS A 144 14.660 -44.333 -7.506 1.00 0.03 H HETATM 1603 H54 LYS A 144 15.650 -44.982 -8.857 1.00 0.03 H HETATM 1604 H57 LYS A 144 14.181 -42.302 -8.792 1.00 0.03 H HETATM 1605 H58 LYS A 144 15.245 -42.867 -10.124 1.00 0.03 H HETATM 1606 H51 LYS A 144 13.801 -44.883 -10.364 1.00 0.03 H HETATM 1607 H52 LYS A 144 12.706 -44.211 -9.109 1.00 0.03 H HETATM 1608 H50 LYS A 144 12.645 -43.806 -11.921 1.00 0.08 H HETATM 1609 H49 LYS A 144 13.456 -41.280 -10.627 1.00 0.19 H HETATM 1610 CB LYS A 144 12.522 -39.213 -12.889 1.00 -0.01 C HETATM 1611 CG LYS A 144 12.829 -37.729 -12.898 1.00 -0.02 C HETATM 1612 CD LYS A 144 11.576 -36.912 -12.921 1.00 0.06 C HETATM 1613 NE LYS A 144 10.818 -37.062 -11.674 1.00 -0.27 N HETATM 1614 CZ LYS A 144 10.912 -36.235 -10.639 1.00 0.29 C HETATM 1615 NH1 LYS A 144 11.731 -35.188 -10.686 1.00 -0.28 N HETATM 1616 H45 LYS A 144 11.799 -34.551 -9.880 1.00 0.26 H HETATM 1617 H46 LYS A 144 12.297 -35.014 -11.529 1.00 0.26 H HETATM 1618 NH2 LYS A 144 10.174 -36.447 -9.557 1.00 -0.28 N HETATM 1619 H47 LYS A 144 9.539 -37.257 -9.517 1.00 0.26 H HETATM 1620 H48 LYS A 144 10.236 -35.802 -8.757 1.00 0.26 H HETATM 1621 H44 LYS A 144 10.171 -37.860 -11.596 1.00 0.26 H HETATM 1622 H42 LYS A 144 10.949 -37.241 -13.763 1.00 0.07 H HETATM 1623 H43 LYS A 144 11.841 -35.853 -13.053 1.00 0.07 H HETATM 1624 H40 LYS A 144 13.427 -37.493 -13.791 1.00 0.03 H HETATM 1625 H41 LYS A 144 13.404 -37.477 -11.995 1.00 0.03 H HETATM 1626 H38 LYS A 144 11.912 -39.435 -12.001 1.00 0.03 H HETATM 1627 H39 LYS A 144 11.949 -39.454 -13.797 1.00 0.03 H HETATM 1628 H37 LYS A 144 14.407 -39.786 -12.015 1.00 0.08 H HETATM 1629 H36 LYS A 144 14.161 -40.310 -14.943 1.00 0.19 H HETATM 1630 CB LYS A 144 16.803 -40.512 -16.039 1.00 -0.02 C HETATM 1631 H33 LYS A 144 15.952 -41.207 -16.083 1.00 0.03 H HETATM 1632 H34 LYS A 144 17.582 -40.928 -15.383 1.00 0.03 H HETATM 1633 H35 LYS A 144 17.212 -40.369 -17.050 1.00 0.03 H HETATM 1634 H32 LYS A 144 15.568 -38.759 -16.160 1.00 0.08 H HETATM 1635 H31 LYS A 144 18.367 -38.526 -15.587 1.00 0.19 H HETATM 1636 CB LYS A 144 19.129 -36.671 -13.577 1.00 0.09 C HETATM 1637 OG1 LYS A 144 18.138 -36.855 -12.542 1.00 -0.39 O HETATM 1638 H27 LYS A 144 17.472 -37.460 -12.847 1.00 0.21 H HETATM 1639 CG2 LYS A 144 20.207 -35.715 -13.075 1.00 -0.03 C HETATM 1640 H28 LYS A 144 20.692 -36.144 -12.185 1.00 0.03 H HETATM 1641 H29 LYS A 144 19.748 -34.750 -12.814 1.00 0.03 H HETATM 1642 H30 LYS A 144 20.958 -35.562 -13.864 1.00 0.03 H HETATM 1643 H26 LYS A 144 19.590 -37.638 -13.827 1.00 0.06 H HETATM 1644 H25 LYS A 144 19.126 -36.154 -15.668 1.00 0.08 H HETATM 1645 H24 LYS A 144 18.151 -34.319 -13.686 1.00 0.19 H HETATM 1646 CB LYS A 144 15.469 -32.985 -14.663 1.00 0.00 C HETATM 1647 CG LYS A 144 15.028 -32.290 -13.428 1.00 0.04 C HETATM 1648 CD LYS A 144 13.704 -32.854 -12.945 1.00 0.17 C HETATM 1649 OE1 LYS A 144 13.599 -34.047 -12.627 1.00 -0.40 O HETATM 1650 NE2 LYS A 144 12.677 -32.016 -12.936 1.00 -0.30 N HETATM 1651 H22 LYS A 144 11.779 -32.329 -12.628 1.00 0.18 H HETATM 1652 H23 LYS A 144 12.801 -31.070 -13.237 1.00 0.18 H HETATM 1653 H20 LYS A 144 14.909 -31.217 -13.639 1.00 0.05 H HETATM 1654 H21 LYS A 144 15.787 -32.428 -12.644 1.00 0.05 H HETATM 1655 H18 LYS A 144 15.409 -34.068 -14.482 1.00 0.03 H HETATM 1656 H19 LYS A 144 14.777 -32.709 -15.473 1.00 0.03 H HETATM 1657 H17 LYS A 144 17.459 -32.244 -14.281 1.00 0.08 H HETATM 1658 H16 LYS A 144 16.061 -31.563 -16.757 1.00 0.19 H HETATM 1659 CB LYS A 144 17.336 -28.763 -17.464 1.00 0.01 C HETATM 1660 CG LYS A 144 18.186 -27.958 -16.511 1.00 -0.04 C HETATM 1661 CD LYS A 144 18.001 -26.468 -16.678 1.00 -0.01 C HETATM 1662 CE LYS A 144 18.802 -25.729 -15.619 1.00 -0.04 C HETATM 1663 NZ LYS A 144 18.351 -24.325 -15.430 1.00 0.22 N HETATM 1664 H13 LYS A 144 18.914 -23.884 -14.720 1.00 0.20 H HETATM 1665 H14 LYS A 144 17.384 -24.318 -15.145 1.00 0.20 H HETATM 1666 H15 LYS A 144 18.449 -23.821 -16.297 1.00 0.20 H HETATM 1667 H11 LYS A 144 19.860 -25.721 -15.921 1.00 0.08 H HETATM 1668 H12 LYS A 144 18.698 -26.263 -14.663 1.00 0.08 H HETATM 1669 H9 LYS A 144 16.935 -26.218 -16.571 1.00 0.03 H HETATM 1670 H10 LYS A 144 18.350 -26.166 -17.677 1.00 0.03 H HETATM 1671 H7 LYS A 144 19.243 -28.203 -16.690 1.00 0.03 H HETATM 1672 H8 LYS A 144 17.915 -28.233 -15.481 1.00 0.03 H HETATM 1673 H5 LYS A 144 16.340 -28.907 -17.021 1.00 0.03 H HETATM 1674 H6 LYS A 144 17.240 -28.212 -18.411 1.00 0.03 H HETATM 1675 H4 LYS A 144 19.001 -29.971 -18.049 1.00 0.11 H HETATM 1676 H1 LYS A 144 17.300 -30.206 -19.671 1.00 0.20 H HETATM 1677 H2 LYS A 144 16.314 -30.976 -18.600 1.00 0.20 H HETATM 1678 H3 LYS A 144 17.735 -31.670 -19.055 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1546 1547 1676 1677 1678 CONECT 1547 1546 1548 1659 1675 CONECT 1548 1547 1549 1550 CONECT 1549 1548 CONECT 1550 1548 1551 1658 CONECT 1551 1550 1552 1646 1657 CONECT 1552 1551 1553 1554 CONECT 1553 1552 CONECT 1554 1552 1555 1645 CONECT 1555 1554 1556 1636 1644 CONECT 1556 1555 1557 1558 CONECT 1557 1556 CONECT 1558 1556 1559 1635 CONECT 1559 1558 1560 1630 1634 CONECT 1560 1559 1561 1562 CONECT 1561 1560 CONECT 1562 1560 1563 1629 CONECT 1563 1562 1564 1610 1628 CONECT 1564 1563 1565 1566 CONECT 1565 1564 CONECT 1566 1564 1567 1609 CONECT 1567 1566 1568 1582 1608 CONECT 1568 1567 1569 1570 CONECT 1569 1568 CONECT 1570 1568 1571 1581 CONECT 1571 1570 1572 1575 1580 CONECT 1572 1571 1573 1574 CONECT 1573 1572 CONECT 1574 1572 CONECT 1575 1571 1576 1578 1579 CONECT 1576 1575 1577 CONECT 1577 1576 CONECT 1578 1575 CONECT 1579 1575 CONECT 1580 1571 CONECT 1581 1570 CONECT 1582 1567 1583 1606 1607 CONECT 1583 1582 1584 1604 1605 CONECT 1584 1583 1585 1602 1603 CONECT 1585 1584 1586 1600 1601 CONECT 1586 1585 1587 1599 CONECT 1587 1586 1588 1589 CONECT 1588 1587 CONECT 1589 1587 1590 1597 1598 CONECT 1590 1589 1591 1595 1596 CONECT 1591 1590 1592 1593 1594 CONECT 1592 1591 CONECT 1593 1591 CONECT 1594 1591 CONECT 1595 1590 CONECT 1596 1590 CONECT 1597 1589 CONECT 1598 1589 CONECT 1599 1586 CONECT 1600 1585 CONECT 1601 1585 CONECT 1602 1584 CONECT 1603 1584 CONECT 1604 1583 CONECT 1605 1583 CONECT 1606 1582 CONECT 1607 1582 CONECT 1608 1567 CONECT 1609 1566 CONECT 1610 1563 1611 1626 1627 CONECT 1611 1610 1612 1624 1625 CONECT 1612 1611 1613 1622 1623 CONECT 1613 1612 1614 1621 CONECT 1614 1613 1615 1618 CONECT 1615 1614 1616 1617 CONECT 1616 1615 CONECT 1617 1615 CONECT 1618 1614 1619 1620 CONECT 1619 1618 CONECT 1620 1618 CONECT 1621 1613 CONECT 1622 1612 CONECT 1623 1612 CONECT 1624 1611 CONECT 1625 1611 CONECT 1626 1610 CONECT 1627 1610 CONECT 1628 1563 CONECT 1629 1562 CONECT 1630 1559 1631 1632 1633 CONECT 1631 1630 CONECT 1632 1630 CONECT 1633 1630 CONECT 1634 1559 CONECT 1635 1558 CONECT 1636 1555 1637 1639 1643 CONECT 1637 1636 1638 CONECT 1638 1637 CONECT 1639 1636 1640 1641 1642 CONECT 1640 1639 CONECT 1641 1639 CONECT 1642 1639 CONECT 1643 1636 CONECT 1644 1555 CONECT 1645 1554 CONECT 1646 1551 1647 1655 1656 CONECT 1647 1646 1648 1653 1654 CONECT 1648 1647 1649 1650 CONECT 1649 1648 CONECT 1650 1648 1651 1652 CONECT 1651 1650 CONECT 1652 1650 CONECT 1653 1647 CONECT 1654 1647 CONECT 1655 1646 CONECT 1656 1646 CONECT 1657 1551 CONECT 1658 1550 CONECT 1659 1547 1660 1673 1674 CONECT 1660 1659 1661 1671 1672 CONECT 1661 1660 1662 1669 1670 CONECT 1662 1661 1663 1667 1668 CONECT 1663 1662 1664 1665 1666 CONECT 1664 1663 CONECT 1665 1663 CONECT 1666 1663 CONECT 1667 1662 CONECT 1668 1662 CONECT 1669 1661 CONECT 1670 1661 CONECT 1671 1660 CONECT 1672 1660 CONECT 1673 1659 CONECT 1674 1659 CONECT 1675 1547 CONECT 1676 1546 CONECT 1677 1546 CONECT 1678 1546 MASTER 0 0 0 0 0 0 0 0 1677 1 137 11 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 6mil
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2b2v
RCSB PDB
PDBbind
16aa, >2B2V_3|Chain... at 93%
2b2w
RCSB PDB
PDBbind
20aa, >2B2W_3|Chain... at 95%
2co0
RCSB PDB
PDBbind
15aa, >2CO0_2|Chains... at 100%
2f6j
RCSB PDB
PDBbind
15aa, >2F6J_2|Chain... at 100%
2fsa
RCSB PDB
PDBbind
15aa, >2FSA_2|Chain... at 100%
2fuu
RCSB PDB
PDBbind
15aa, >2FUU_2|Chain... at 100%
2h2g
RCSB PDB
PDBbind
11aa, >2H2G_2|Chain... at 100%
2h9m
RCSB PDB
PDBbind
11aa, >2H9M_2|Chains... at 100%
2h9n
RCSB PDB
PDBbind
11aa, >2H9N_2|Chains... at 100%
2h9p
RCSB PDB
PDBbind
11aa, >2H9P_2|Chain... at 100%
2l3r
RCSB PDB
PDBbind
11aa, >2L3R_2|Chain... at 100%
2lbm
RCSB PDB
PDBbind
15aa, >2LBM_2|Chain... at 100%
2o9k
RCSB PDB
PDBbind
11aa, >2O9K_2|Chains... at 100%
2r0y
RCSB PDB
PDBbind
13aa, >2R0Y_2|Chain... at 100%
2rnw
RCSB PDB
PDBbind
15aa, >2RNW_2|Chain... at 100%
2rnx
RCSB PDB
PDBbind
13aa, >2RNX_2|Chain... at 92%
2uxn
RCSB PDB
PDBbind
21aa, >2UXN_3|Chain... at 95%
2v1d
RCSB PDB
PDBbind
21aa, >2V1D_3|Chain... at 95%
2ybp
RCSB PDB
PDBbind
12aa, >2YBP_2|Chains... at 91%
2ybs
RCSB PDB
PDBbind
12aa, >2YBS_2|Chains... at 91%
3ask
RCSB PDB
PDBbind
13aa, >3ASK_2|Chains... at 100%
3asl
RCSB PDB
PDBbind
11aa, >3ASL_2|Chain... at 100%
3b95
RCSB PDB
PDBbind
15aa, >3B95_2|Chain... at 100%
3ij0
RCSB PDB
PDBbind
11aa, >3IJ0_2|Chain... at 100%
3kv4
RCSB PDB
PDBbind
24aa, >3KV4_2|Chain... at 95%
3me9
RCSB PDB
PDBbind
11aa, >3ME9_2|Chains... at 100%
3mea
RCSB PDB
PDBbind
11aa, >3MEA_2|Chain... at 100%
3met
RCSB PDB
PDBbind
11aa, >3MET_2|Chains... at 100%
3meu
RCSB PDB
PDBbind
14aa, >3MEU_2|Chains... at 92%
3ql9
RCSB PDB
PDBbind
15aa, >3QL9_2|Chain... at 100%
3qlc
RCSB PDB
PDBbind
15aa, >3QLC_2|Chains... at 100%
3ued
RCSB PDB
PDBbind
12aa, >3UED_2|Chains... at 100%
3uef
RCSB PDB
PDBbind
12aa, >3UEF_2|Chains... at 100%
3uig
RCSB PDB
PDBbind
15aa, >3UIG_2|Chains... at 100%
4a7j
RCSB PDB
PDBbind
16aa, >4A7J_2|Chain... at 100%
4ft2
RCSB PDB
PDBbind
15aa, >4FT2_2|Chain... at 100%
4ft4
RCSB PDB
PDBbind
32aa, >4FT4_2|Chains... at 93%
4gy5
RCSB PDB
PDBbind
17aa, >4GY5_2|Chains... at 100%
4qq4
RCSB PDB
PDBbind
16aa, >4QQ4_2|Chains... at 93%
4tmp
RCSB PDB
PDBbind
11aa, >4TMP_2|Chains... at 100%
4u7t
RCSB PDB
PDBbind
12aa, >4U7T_3|Chains... at 100%
4w5a
RCSB PDB
PDBbind
15aa, >4W5A_2|Chains... at 100%
4yhp
RCSB PDB
PDBbind
16aa, >4YHP_1|Chains... at 100%
4yhz
RCSB PDB
PDBbind
12aa, >4YHZ_3|Chain... at 100%
5fb0
RCSB PDB
PDBbind
15aa, >5FB0_2|Chains... at 100%
5fb1
RCSB PDB
PDBbind
15aa, >5FB1_2|Chain... at 100%
5ix1
RCSB PDB
PDBbind
15aa, >5IX1_2|Chains... at 100%
5svx
RCSB PDB
PDBbind
11aa, >5SVX_2|Chain... at 100%
5svy
RCSB PDB
PDBbind
11aa, >5SVY_2|Chain... at 100%
5x60
RCSB PDB
PDBbind
20aa, >5X60_3|Chain... at 90%
5znp
RCSB PDB
PDBbind
15aa, >5ZNP_2|Chains... at 100%
6bhi
RCSB PDB
PDBbind
16aa, >6BHI_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1dva
RCSB PDB
PDBbind
19-mer
1idg
RCSB PDB
PDBbind
19-mer
1ilq
RCSB PDB
PDBbind
19-mer
1iwq
RCSB PDB
PDBbind
19-mer
1kat
RCSB PDB
PDBbind
19-mer
1lxh
RCSB PDB
PDBbind
19-mer
1oqp
RCSB PDB
PDBbind
19-mer
2asu
RCSB PDB
PDBbind
19-mer
2jqk
RCSB PDB
PDBbind
19-mer
2k7l
RCSB PDB
PDBbind
19-mer
2kup
RCSB PDB
PDBbind
19-mer
2llo
RCSB PDB
PDBbind
19-mer
2llq
RCSB PDB
PDBbind
19-mer
2nd0
RCSB PDB
PDBbind
19-mer
2pl9
RCSB PDB
PDBbind
19-mer
2rqu
RCSB PDB
PDBbind
19-mer
2yq6
RCSB PDB
PDBbind
19-mer
3bim
RCSB PDB
PDBbind
19-mer
3bl2
RCSB PDB
PDBbind
19-mer
3bu8
RCSB PDB
PDBbind
19-mer
3eu7
RCSB PDB
PDBbind
19-mer
3h52
RCSB PDB
PDBbind
19-mer
3plu
RCSB PDB
PDBbind
19-mer
3q6s
RCSB PDB
PDBbind
19-mer
3qnj
RCSB PDB
PDBbind
19-mer
3tiw
RCSB PDB
PDBbind
19-mer
3tzd
RCSB PDB
PDBbind
19-mer
3uvu
RCSB PDB
PDBbind
19-mer
3v2o
RCSB PDB
PDBbind
19-mer
3v7d
RCSB PDB
PDBbind
19-mer
3zha
RCSB PDB
PDBbind
19-mer
4a1w
RCSB PDB
PDBbind
19-mer
4bpi
RCSB PDB
PDBbind
19-mer
4bpj
RCSB PDB
PDBbind
19-mer
4hpy
RCSB PDB
PDBbind
19-mer
4j24
RCSB PDB
PDBbind
19-mer
4mzj
RCSB PDB
PDBbind
19-mer
4mzk
RCSB PDB
PDBbind
19-mer
4oyk
RCSB PDB
PDBbind
19-mer
4qxt
RCSB PDB
PDBbind
19-mer
4qy8
RCSB PDB
PDBbind
19-mer
4tkn
RCSB PDB
PDBbind
19-mer
4xek
RCSB PDB
PDBbind
19-mer
4xgz
RCSB PDB
PDBbind
19-mer
4z8m
RCSB PDB
PDBbind
19-mer
5bjt
RCSB PDB
PDBbind
19-mer
5ekg
RCSB PDB
PDBbind
19-mer
5f67
RCSB PDB
PDBbind
19-mer
5gmi
RCSB PDB
PDBbind
19-mer
5gmj
RCSB PDB
PDBbind
19-mer
5gow
RCSB PDB
PDBbind
19-mer
5jeo
RCSB PDB
PDBbind
19-mer
5jer
RCSB PDB
PDBbind
19-mer
5k6s
RCSB PDB
PDBbind
19-mer
5mav
RCSB PDB
PDBbind
19-mer
5nxq
RCSB PDB
PDBbind
19-mer
5uw5
RCSB PDB
PDBbind
19-mer
5uwp
RCSB PDB
PDBbind
19-mer
5v2p
RCSB PDB
PDBbind
19-mer
5v2q
RCSB PDB
PDBbind
19-mer
5ybe
RCSB PDB
PDBbind
19-mer
6bvb
RCSB PDB
PDBbind
19-mer
6fkq
RCSB PDB
PDBbind
19-mer
6r8i
RCSB PDB
PDBbind
19-mer
6oie
RCSB PDB
PDBbind
19-mer
6h8c
RCSB PDB
PDBbind
19-mer
5v5o
RCSB PDB
PDBbind
19-mer
5j7j
RCSB PDB
PDBbind
19-mer
Entry Information
PDB ID
6mil
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
AF9 YEATS domain Y78W
Ligand Name
19-mer
EC.Number
E.C.-.-.-.-
Resolution
1.93(Å)
Affinity (Kd/Ki/IC50)
Kd=3.9uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat Commun Vol. 9: pp. 4574-4574
Ligand Properties
Formula
C
3
7
H
7
2
N
1
3
O
1
2
Molecular Weight
891.047
Exact Mass
890.542
No. of atoms
134
No. of bonds
133
Polar Surface Area
445.84
LOGP Value
-4.95 (
Computed with XLOGP3
)
-4.28 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 41
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CCCCNC(=O)CCC)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)[NH3+]
InChI String
InChI=1S/C37H69N13O12/c1-4-10-28(54)43-17-8-6-12-23(33(58)49-26(19-51)36(61)62)48-32(57)24(13-9-18-44-37(41)42)46-30(55)20(2)45-35(60)29(21(3)52)50-34(59)25(14-15-27(40)53)47-31(56)22(39)11-5-7-16-38/h20-26,29,51-52H,4-19,38-39H2,1-3H3,(H2,40,53)(H,43,54)(H,45,60)(H,46,55)(H,47,56)(H,48,57)(H,49,58)(H,50,59)(H,61,62)(H4,41,42,44)/p+3/t20-,21+,22-,23-,24-,25-,26-,29-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P42568
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
4300
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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