Browse entries in the PDBbind-CN Database
HEADER 5HJB_COMPLEX COMPND 5HJB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 140 SER HIS MET ALA SER SER CYS ALA VAL GLN VAL LYS LEU SEQRES 2 A 140 GLU LEU GLY HIS ARG ALA GLN VAL ARG LYS LYS PRO THR SEQRES 3 A 140 VAL GLU GLY PHE THR HIS ASP TRP MET VAL PHE VAL ARG SEQRES 4 A 140 GLY PRO GLU HIS SER ASN ILE GLN HIS PHE VAL GLU LYS SEQRES 5 A 140 VAL VAL PHE HIS LEU HIS GLU SER PHE PRO ARG PRO LYS SEQRES 6 A 140 ARG VAL CYS LYS ASP PRO PRO TYR LYS VAL GLU GLU SER SEQRES 7 A 140 GLY TYR ALA GLY PHE ILE LEU PRO ILE GLU VAL TYR PHE SEQRES 8 A 140 LYS ASN LYS GLU GLU PRO ARG LYS VAL ARG PHE ASP TYR SEQRES 9 A 140 ASP LEU PHE LEU HIS LEU GLU GLY HIS PRO PRO VAL ASN SEQRES 10 A 140 HIS LEU ARG CYS GLU LYS LEU THR PHE ASN ASN PRO THR SEQRES 11 A 140 GLU ASP PHE ARG ARG LYS LEU LEU LYS ALA HET THR A 157 145 ATOM 1 N SER A -1 -2.660 26.953 -13.349 1.00127.34 N ATOM 2 CA SER A -1 -2.269 26.795 -11.952 1.00126.88 C ATOM 3 C SER A -1 -0.866 27.342 -11.723 1.00129.35 C ATOM 4 O SER A -1 -0.001 27.244 -12.604 1.00128.81 O ATOM 5 CB SER A -1 -2.307 25.324 -11.531 1.00123.96 C ATOM 6 OG SER A -1 -0.994 24.778 -11.540 1.00112.29 O ATOM 7 HG SER A -1 -0.616 24.845 -12.453 1.00 0.00 H ATOM 8 HN3 SER A -1 -1.993 26.435 -13.955 1.00 0.00 H ATOM 9 HN2 SER A -1 -2.646 27.962 -13.600 1.00 0.00 H ATOM 10 HN1 SER A -1 -3.619 26.574 -13.484 1.00 0.00 H ATOM 11 N HIS A 0 -0.621 27.897 -10.533 1.00127.27 N ATOM 12 CA HIS A 0 0.711 28.380 -10.205 1.00120.31 C ATOM 13 C HIS A 0 1.040 28.116 -8.738 1.00114.69 C ATOM 14 O HIS A 0 0.200 27.663 -7.946 1.00110.35 O ATOM 15 CB HIS A 0 0.874 29.866 -10.554 1.00109.62 C ATOM 16 CG HIS A 0 2.039 30.128 -11.456 1.00119.65 C ATOM 17 ND1 HIS A 0 2.998 29.171 -11.719 1.00124.80 N ATOM 18 CD2 HIS A 0 2.392 31.218 -12.176 1.00118.65 C ATOM 19 CE1 HIS A 0 3.898 29.666 -12.549 1.00120.95 C ATOM 20 NE2 HIS A 0 3.557 30.909 -12.838 1.00121.70 N ATOM 21 H HIS A 0 -1.388 27.984 -9.836 1.00 0.00 H ATOM 22 N MET A 1 2.300 28.397 -8.405 1.00111.68 N ATOM 23 CA MET A 1 2.886 28.113 -7.105 1.00106.06 C ATOM 24 C MET A 1 3.094 29.399 -6.320 1.00100.65 C ATOM 25 O MET A 1 3.458 30.438 -6.881 1.00101.93 O ATOM 26 CB MET A 1 4.216 27.387 -7.268 1.00107.26 C ATOM 27 CG MET A 1 4.092 25.890 -7.238 1.00102.92 C ATOM 28 SD MET A 1 3.564 25.410 -5.597 1.00113.99 S ATOM 29 CE MET A 1 4.954 24.369 -5.121 1.00102.45 C ATOM 30 H MET A 1 2.903 28.849 -9.122 1.00 0.00 H ATOM 31 N ALA A 2 2.863 29.320 -5.017 1.00 96.62 N ATOM 32 CA ALA A 2 3.090 30.442 -4.123 1.00 90.99 C ATOM 33 C ALA A 2 4.402 30.328 -3.370 1.00 91.36 C ATOM 34 O ALA A 2 4.680 31.176 -2.511 1.00 85.91 O ATOM 35 CB ALA A 2 1.948 30.560 -3.123 1.00 85.39 C ATOM 36 H ALA A 2 2.508 28.426 -4.622 1.00 0.00 H ATOM 37 N SER A 3 5.207 29.296 -3.663 1.00 88.52 N ATOM 38 CA SER A 3 6.422 29.009 -2.910 1.00 85.97 C ATOM 39 C SER A 3 7.635 28.856 -3.820 1.00 83.72 C ATOM 40 O SER A 3 7.534 28.340 -4.939 1.00 83.40 O ATOM 41 CB SER A 3 6.263 27.746 -2.087 1.00 91.35 C ATOM 42 OG SER A 3 5.349 27.940 -1.029 1.00 90.80 O ATOM 43 HG SER A 3 5.265 27.102 -0.509 1.00 0.00 H ATOM 44 H SER A 3 4.955 28.676 -4.459 1.00 0.00 H ATOM 45 N SER A 4 8.772 29.355 -3.340 1.00 84.58 N ATOM 46 CA SER A 4 10.077 29.139 -3.946 1.00 80.88 C ATOM 47 C SER A 4 10.890 28.286 -2.985 1.00 82.21 C ATOM 48 O SER A 4 10.680 28.333 -1.773 1.00 82.64 O ATOM 49 CB SER A 4 10.829 30.453 -4.218 1.00 84.71 C ATOM 50 OG SER A 4 10.117 31.396 -5.025 1.00 83.81 O ATOM 51 HG SER A 4 10.671 32.207 -5.149 1.00 0.00 H ATOM 52 H SER A 4 8.725 29.935 -2.478 1.00 0.00 H ATOM 53 N CYS A 5 11.813 27.495 -3.519 1.00 84.67 N ATOM 54 CA CYS A 5 12.683 26.698 -2.671 1.00 85.47 C ATOM 55 C CYS A 5 14.111 26.769 -3.180 1.00 84.95 C ATOM 56 O CYS A 5 14.353 26.655 -4.383 1.00 84.57 O ATOM 57 CB CYS A 5 12.240 25.232 -2.607 1.00 89.50 C ATOM 58 SG CYS A 5 13.455 24.239 -1.685 1.00 98.42 S ATOM 59 H CYS A 5 11.914 27.445 -4.553 1.00 0.00 H ATOM 60 N ALA A 6 15.055 26.952 -2.256 1.00 86.26 N ATOM 61 CA ALA A 6 16.477 27.061 -2.595 1.00 84.42 C ATOM 62 C ALA A 6 17.300 26.207 -1.637 1.00 80.77 C ATOM 63 O ALA A 6 17.391 26.526 -0.440 1.00 76.56 O ATOM 64 CB ALA A 6 16.936 28.515 -2.546 1.00 75.43 C ATOM 65 H ALA A 6 14.772 27.020 -1.258 1.00 0.00 H ATOM 66 N VAL A 7 17.926 25.141 -2.178 1.00 82.13 N ATOM 67 CA VAL A 7 18.714 24.186 -1.391 1.00 81.38 C ATOM 68 C VAL A 7 20.198 24.517 -1.504 1.00 81.50 C ATOM 69 O VAL A 7 20.715 24.749 -2.606 1.00 82.89 O ATOM 70 CB VAL A 7 18.463 22.732 -1.836 1.00 76.71 C ATOM 71 CG1 VAL A 7 18.906 21.784 -0.772 1.00 79.59 C ATOM 72 CG2 VAL A 7 16.992 22.500 -2.152 1.00 82.78 C ATOM 73 H VAL A 7 17.846 24.989 -3.204 1.00 0.00 H ATOM 74 N GLN A 8 20.897 24.505 -0.367 1.00 78.76 N ATOM 75 CA GLN A 8 22.345 24.698 -0.325 1.00 79.45 C ATOM 76 C GLN A 8 23.029 23.419 0.120 1.00 77.68 C ATOM 77 O GLN A 8 22.732 22.901 1.200 1.00 80.04 O ATOM 78 CB GLN A 8 22.708 25.811 0.638 1.00 79.72 C ATOM 79 CG GLN A 8 21.921 27.022 0.397 1.00 86.14 C ATOM 80 CD GLN A 8 22.826 28.067 -0.096 1.00 84.25 C ATOM 81 OE1 GLN A 8 24.031 27.974 0.118 1.00 88.40 O ATOM 82 NE2 GLN A 8 22.285 29.068 -0.775 1.00 87.65 N ATOM 83 HE22 GLN A 8 21.257 29.097 -0.927 1.00 0.00 H ATOM 84 HE21 GLN A 8 22.889 29.824 -1.156 1.00 0.00 H ATOM 85 H GLN A 8 20.389 24.352 0.528 1.00 0.00 H ATOM 86 N VAL A 9 23.970 22.937 -0.682 1.00 77.59 N ATOM 87 CA VAL A 9 24.759 21.762 -0.324 1.00 81.07 C ATOM 88 C VAL A 9 26.217 22.163 -0.080 1.00 79.52 C ATOM 89 O VAL A 9 26.759 23.061 -0.745 1.00 71.23 O ATOM 90 CB VAL A 9 24.630 20.659 -1.395 1.00 79.91 C ATOM 91 CG1 VAL A 9 23.154 20.384 -1.676 1.00 78.32 C ATOM 92 CG2 VAL A 9 25.361 21.027 -2.684 1.00 79.07 C ATOM 93 H VAL A 9 24.150 23.409 -1.591 1.00 0.00 H ATOM 94 N LYS A 10 26.837 21.514 0.902 1.00 77.05 N ATOM 95 CA LYS A 10 28.256 21.670 1.170 1.00 70.56 C ATOM 96 C LYS A 10 28.975 20.378 0.771 1.00 73.14 C ATOM 97 O LYS A 10 28.623 19.290 1.238 1.00 66.64 O ATOM 98 CB LYS A 10 28.479 22.047 2.643 1.00 67.67 C ATOM 99 CG LYS A 10 28.246 23.548 2.917 1.00 77.84 C ATOM 100 CD LYS A 10 28.561 24.002 4.336 1.00 80.37 C ATOM 101 CE LYS A 10 28.190 25.472 4.527 1.00 76.58 C ATOM 102 NZ LYS A 10 27.331 25.722 5.728 1.00 73.05 N ATOM 103 HZ1 LYS A 10 26.444 25.187 5.636 1.00 0.00 H ATOM 104 HZ2 LYS A 10 27.836 25.415 6.584 1.00 0.00 H ATOM 105 HZ3 LYS A 10 27.119 26.738 5.795 1.00 0.00 H ATOM 106 H LYS A 10 26.284 20.869 1.502 1.00 0.00 H ATOM 107 N LEU A 11 29.959 20.493 -0.118 1.00 73.77 N ATOM 108 CA LEU A 11 30.856 19.387 -0.434 1.00 73.12 C ATOM 109 C LEU A 11 32.236 19.688 0.146 1.00 71.11 C ATOM 110 O LEU A 11 32.763 20.788 -0.052 1.00 76.06 O ATOM 111 CB LEU A 11 30.925 19.158 -1.948 1.00 68.91 C ATOM 112 CG LEU A 11 29.551 18.857 -2.591 1.00 78.41 C ATOM 113 CD1 LEU A 11 29.499 19.078 -4.122 1.00 75.21 C ATOM 114 CD2 LEU A 11 29.105 17.435 -2.247 1.00 68.73 C ATOM 115 H LEU A 11 30.093 21.403 -0.604 1.00 0.00 H ATOM 116 N GLU A 12 32.800 18.742 0.890 1.00 67.57 N ATOM 117 CA GLU A 12 34.191 18.827 1.330 1.00 73.59 C ATOM 118 C GLU A 12 35.083 18.041 0.381 1.00 68.30 C ATOM 119 O GLU A 12 34.856 16.847 0.172 1.00 75.65 O ATOM 120 CB GLU A 12 34.358 18.314 2.758 1.00 71.68 C ATOM 121 CG GLU A 12 33.718 19.266 3.752 1.00 77.65 C ATOM 122 CD GLU A 12 34.003 18.947 5.206 1.00 81.93 C ATOM 123 OE1 GLU A 12 33.781 19.871 6.027 1.00 82.04 O ATOM 124 OE2 GLU A 12 34.441 17.805 5.541 1.00 79.31 O ATOM 125 H GLU A 12 32.234 17.915 1.168 1.00 0.00 H ATOM 126 N LEU A 13 36.077 18.707 -0.202 1.00 65.72 N ATOM 127 CA LEU A 13 37.131 18.038 -0.942 1.00 65.51 C ATOM 128 C LEU A 13 38.450 18.264 -0.222 1.00 68.40 C ATOM 129 O LEU A 13 38.677 19.345 0.318 1.00 69.75 O ATOM 130 CB LEU A 13 37.258 18.540 -2.380 1.00 67.65 C ATOM 131 CG LEU A 13 36.373 19.586 -3.019 1.00 68.10 C ATOM 132 CD1 LEU A 13 36.870 19.863 -4.423 1.00 68.86 C ATOM 133 CD2 LEU A 13 34.992 19.072 -3.075 1.00 63.20 C ATOM 134 H LEU A 13 36.099 19.744 -0.124 1.00 0.00 H ATOM 135 N GLY A 14 39.334 17.264 -0.231 1.00 67.42 N ATOM 136 CA GLY A 14 40.588 17.425 0.488 1.00 66.36 C ATOM 137 C GLY A 14 41.546 16.294 0.176 1.00 74.65 C ATOM 138 O GLY A 14 41.249 15.394 -0.615 1.00 75.76 O ATOM 139 H GLY A 14 39.129 16.383 -0.744 1.00 0.00 H ATOM 140 N HIS A 15 42.709 16.331 0.832 1.00 74.59 N ATOM 141 CA HIS A 15 43.721 15.314 0.563 1.00 72.70 C ATOM 142 C HIS A 15 44.714 15.251 1.714 1.00 73.95 C ATOM 143 O HIS A 15 44.855 16.206 2.486 1.00 70.60 O ATOM 144 CB HIS A 15 44.445 15.565 -0.772 1.00 73.48 C ATOM 145 CG HIS A 15 45.519 16.611 -0.716 1.00 71.45 C ATOM 146 ND1 HIS A 15 45.242 17.958 -0.651 1.00 68.94 N ATOM 147 CD2 HIS A 15 46.870 16.505 -0.749 1.00 73.01 C ATOM 148 CE1 HIS A 15 46.377 18.637 -0.624 1.00 72.17 C ATOM 149 NE2 HIS A 15 47.380 17.778 -0.693 1.00 71.46 N ATOM 150 H HIS A 15 42.892 17.080 1.530 1.00 0.00 H ATOM 151 N ARG A 16 45.365 14.079 1.833 1.00 73.09 N ATOM 152 CA ARG A 16 46.502 13.831 2.727 1.00 75.04 C ATOM 153 C ARG A 16 47.718 13.432 1.899 1.00 73.17 C ATOM 154 O ARG A 16 47.582 12.680 0.930 1.00 76.73 O ATOM 155 CB ARG A 16 46.219 12.697 3.730 1.00 78.28 C ATOM 156 CG ARG A 16 45.041 12.916 4.659 1.00 86.62 C ATOM 157 CD ARG A 16 44.868 11.762 5.645 1.00 86.52 C ATOM 158 NE ARG A 16 44.097 12.154 6.825 1.00 98.61 N ATOM 159 CZ ARG A 16 43.794 11.320 7.820 1.00108.14 C ATOM 160 NH1 ARG A 16 43.082 11.743 8.864 1.00104.65 N ATOM 161 NH2 ARG A 16 44.202 10.049 7.764 1.00104.03 N ATOM 162 HE ARG A 16 43.767 13.138 6.891 1.00 0.00 H ATOM 163 HH12 ARG A 16 42.850 11.086 9.636 1.00 0.00 H ATOM 164 HH11 ARG A 16 42.758 12.730 8.907 1.00 0.00 H ATOM 165 HH22 ARG A 16 43.969 9.393 8.537 1.00 0.00 H ATOM 166 HH21 ARG A 16 44.753 9.715 6.947 1.00 0.00 H ATOM 167 H ARG A 16 45.036 13.287 1.245 1.00 0.00 H ATOM 168 N ALA A 17 48.909 13.904 2.280 1.00 73.23 N ATOM 169 CA ALA A 17 50.117 13.555 1.528 1.00 77.67 C ATOM 170 C ALA A 17 51.296 13.315 2.467 1.00 80.99 C ATOM 171 O ALA A 17 51.744 14.228 3.177 1.00 78.26 O ATOM 172 CB ALA A 17 50.462 14.624 0.487 1.00 73.66 C ATOM 173 H ALA A 17 48.979 14.522 3.114 1.00 0.00 H ATOM 174 N GLN A 18 51.827 12.097 2.398 1.00 80.45 N ATOM 175 CA GLN A 18 52.809 11.537 3.313 1.00 81.84 C ATOM 176 C GLN A 18 54.070 11.126 2.545 1.00 80.68 C ATOM 177 O GLN A 18 53.984 10.363 1.577 1.00 76.33 O ATOM 178 CB GLN A 18 52.161 10.333 4.013 1.00 76.45 C ATOM 179 CG GLN A 18 53.073 9.463 4.808 1.00 87.06 C ATOM 180 CD GLN A 18 53.472 10.105 6.109 1.00 91.00 C ATOM 181 OE1 GLN A 18 52.624 10.649 6.826 1.00 91.52 O ATOM 182 NE2 GLN A 18 54.773 10.060 6.424 1.00 89.85 N ATOM 183 HE22 GLN A 18 55.447 9.590 5.786 1.00 0.00 H ATOM 184 HE21 GLN A 18 55.110 10.495 7.306 1.00 0.00 H ATOM 185 H GLN A 18 51.510 11.488 1.617 1.00 0.00 H ATOM 186 N VAL A 19 55.239 11.629 2.967 1.00 78.03 N ATOM 187 CA VAL A 19 56.499 11.153 2.390 1.00 81.42 C ATOM 188 C VAL A 19 56.732 9.692 2.749 1.00 82.47 C ATOM 189 O VAL A 19 56.750 9.331 3.932 1.00 83.96 O ATOM 190 CB VAL A 19 57.690 11.986 2.880 1.00 82.74 C ATOM 191 CG1 VAL A 19 58.964 11.420 2.317 1.00 74.21 C ATOM 192 CG2 VAL A 19 57.539 13.436 2.483 1.00 83.07 C ATOM 193 H VAL A 19 55.252 12.360 3.707 1.00 0.00 H ATOM 194 N ARG A 20 56.949 8.849 1.729 1.00 82.61 N ATOM 195 CA ARG A 20 57.265 7.435 1.933 1.00 80.91 C ATOM 196 C ARG A 20 58.605 7.270 2.640 1.00 87.85 C ATOM 197 O ARG A 20 59.546 8.044 2.423 1.00 85.91 O ATOM 198 CB ARG A 20 57.362 6.692 0.597 1.00 78.10 C ATOM 199 CG ARG A 20 56.090 6.325 -0.126 1.00 77.64 C ATOM 200 CD ARG A 20 56.435 5.702 -1.506 1.00 78.92 C ATOM 201 NE ARG A 20 56.724 4.265 -1.456 1.00 79.85 N ATOM 202 CZ ARG A 20 55.777 3.327 -1.373 1.00 79.13 C ATOM 203 NH1 ARG A 20 54.499 3.671 -1.308 1.00 77.81 N ATOM 204 NH2 ARG A 20 56.090 2.045 -1.329 1.00 76.38 N ATOM 205 HE ARG A 20 57.718 3.961 -1.487 1.00 0.00 H ATOM 206 HH12 ARG A 20 53.765 2.937 -1.243 1.00 0.00 H ATOM 207 HH11 ARG A 20 54.230 4.675 -1.322 1.00 0.00 H ATOM 208 HH22 ARG A 20 55.339 1.328 -1.264 1.00 0.00 H ATOM 209 HH21 ARG A 20 57.087 1.752 -1.359 1.00 0.00 H ATOM 210 H ARG A 20 56.891 9.214 0.757 1.00 0.00 H ATOM 211 N LYS A 21 58.708 6.215 3.460 1.00 92.59 N ATOM 212 CA LYS A 21 60.011 5.854 4.025 1.00 90.54 C ATOM 213 C LYS A 21 61.021 5.572 2.916 1.00 88.19 C ATOM 214 O LYS A 21 62.086 6.197 2.852 1.00 86.79 O ATOM 215 CB LYS A 21 59.870 4.641 4.941 1.00 92.88 C ATOM 216 CG LYS A 21 59.048 4.863 6.196 1.00 91.47 C ATOM 217 CD LYS A 21 58.561 3.515 6.706 1.00 96.71 C ATOM 218 CE LYS A 21 57.612 3.635 7.895 1.00107.18 C ATOM 219 NZ LYS A 21 57.215 2.301 8.433 1.00113.38 N ATOM 220 HZ1 LYS A 21 56.735 1.757 7.688 1.00 0.00 H ATOM 221 HZ2 LYS A 21 58.064 1.788 8.746 1.00 0.00 H ATOM 222 HZ3 LYS A 21 56.571 2.431 9.239 1.00 0.00 H ATOM 223 H LYS A 21 57.865 5.654 3.695 1.00 0.00 H ATOM 224 N LYS A 22 60.685 4.649 2.013 1.00 91.02 N ATOM 225 CA LYS A 22 61.509 4.324 0.863 1.00 89.43 C ATOM 226 C LYS A 22 60.726 4.615 -0.411 1.00 83.68 C ATOM 227 O LYS A 22 59.554 4.215 -0.519 1.00 84.80 O ATOM 228 CB LYS A 22 61.946 2.828 0.885 1.00 92.95 C ATOM 229 CG LYS A 22 63.270 2.529 0.165 1.00 92.96 C ATOM 230 CD LYS A 22 63.233 1.184 -0.540 1.00 91.58 C ATOM 231 CE LYS A 22 64.646 0.676 -0.910 1.00 97.80 C ATOM 232 NZ LYS A 22 65.428 1.583 -1.815 1.00 94.38 N ATOM 233 HZ1 LYS A 22 64.912 1.708 -2.709 1.00 0.00 H ATOM 234 HZ2 LYS A 22 65.554 2.507 -1.354 1.00 0.00 H ATOM 235 HZ3 LYS A 22 66.359 1.161 -2.007 1.00 0.00 H ATOM 236 H LYS A 22 59.789 4.137 2.139 1.00 0.00 H ATOM 237 N PRO A 23 61.319 5.295 -1.388 1.00 80.99 N ATOM 238 CA PRO A 23 60.602 5.546 -2.641 1.00 81.78 C ATOM 239 C PRO A 23 60.488 4.292 -3.485 1.00 87.44 C ATOM 240 O PRO A 23 61.321 3.383 -3.421 1.00 93.08 O ATOM 241 CB PRO A 23 61.460 6.606 -3.337 1.00 83.99 C ATOM 242 CG PRO A 23 62.799 6.527 -2.689 1.00 84.30 C ATOM 243 CD PRO A 23 62.552 6.090 -1.287 1.00 83.68 C ATOM 244 N THR A 24 59.435 4.244 -4.290 1.00 85.91 N ATOM 245 CA THR A 24 59.224 3.084 -5.135 1.00 80.09 C ATOM 246 C THR A 24 60.326 2.989 -6.197 1.00 84.03 C ATOM 247 O THR A 24 61.227 3.833 -6.294 1.00 85.17 O ATOM 248 CB THR A 24 57.863 3.171 -5.804 1.00 80.19 C ATOM 249 OG1 THR A 24 57.966 4.068 -6.912 1.00 78.55 O ATOM 250 CG2 THR A 24 56.809 3.697 -4.829 1.00 80.22 C ATOM 251 HG1 THR A 24 57.087 4.138 -7.362 1.00 0.00 H ATOM 252 H THR A 24 58.762 5.036 -4.315 1.00 0.00 H ATOM 253 N VAL A 25 60.231 1.946 -7.026 1.00 87.32 N ATOM 254 CA VAL A 25 61.136 1.781 -8.159 1.00 86.27 C ATOM 255 C VAL A 25 60.945 2.855 -9.220 1.00 84.43 C ATOM 256 O VAL A 25 61.825 3.027 -10.079 1.00 87.38 O ATOM 257 CB VAL A 25 60.970 0.383 -8.810 1.00 89.28 C ATOM 258 CG1 VAL A 25 61.148 -0.729 -7.797 1.00 85.53 C ATOM 259 CG2 VAL A 25 59.622 0.242 -9.490 1.00 81.11 C ATOM 260 H VAL A 25 59.493 1.233 -6.860 1.00 0.00 H ATOM 261 N GLU A 26 59.836 3.596 -9.164 1.00 82.43 N ATOM 262 CA GLU A 26 59.366 4.405 -10.294 1.00 81.16 C ATOM 263 C GLU A 26 59.723 5.907 -10.457 1.00 81.68 C ATOM 264 O GLU A 26 59.244 6.492 -11.430 1.00 83.53 O ATOM 265 CB GLU A 26 57.843 4.334 -10.352 1.00 80.69 C ATOM 266 CG GLU A 26 57.248 3.063 -10.924 1.00 78.30 C ATOM 267 CD GLU A 26 56.628 2.194 -9.851 1.00 83.64 C ATOM 268 OE1 GLU A 26 57.019 2.343 -8.671 1.00 79.08 O ATOM 269 OE2 GLU A 26 55.736 1.377 -10.189 1.00 96.26 O ATOM 270 H GLU A 26 59.283 3.600 -8.283 1.00 0.00 H ATOM 271 N GLY A 27 60.413 6.587 -9.537 1.00 77.74 N ATOM 272 CA GLY A 27 60.421 6.303 -8.122 1.00 78.53 C ATOM 273 C GLY A 27 59.596 7.393 -7.448 1.00 78.62 C ATOM 274 O GLY A 27 59.993 8.565 -7.386 1.00 71.49 O ATOM 275 H GLY A 27 60.991 7.386 -9.867 1.00 0.00 H ATOM 276 N PHE A 28 58.420 6.989 -6.982 1.00 78.77 N ATOM 277 CA PHE A 28 57.491 7.872 -6.298 1.00 68.39 C ATOM 278 C PHE A 28 57.951 8.135 -4.872 1.00 73.48 C ATOM 279 O PHE A 28 58.413 7.230 -4.183 1.00 80.76 O ATOM 280 CB PHE A 28 56.119 7.221 -6.284 1.00 74.37 C ATOM 281 CG PHE A 28 55.662 6.734 -7.641 1.00 77.28 C ATOM 282 CD1 PHE A 28 55.995 7.432 -8.800 1.00 74.72 C ATOM 283 CD2 PHE A 28 54.904 5.573 -7.758 1.00 73.78 C ATOM 284 CE1 PHE A 28 55.565 6.983 -10.046 1.00 74.31 C ATOM 285 CE2 PHE A 28 54.471 5.127 -8.996 1.00 71.98 C ATOM 286 CZ PHE A 28 54.793 5.833 -10.139 1.00 71.37 C ATOM 287 H PHE A 28 58.151 5.993 -7.113 1.00 0.00 H ATOM 288 N THR A 29 57.809 9.373 -4.414 1.00 74.46 N ATOM 289 CA THR A 29 58.273 9.734 -3.080 1.00 73.71 C ATOM 290 C THR A 29 57.163 9.910 -2.051 1.00 74.10 C ATOM 291 O THR A 29 57.470 10.076 -0.860 1.00 72.47 O ATOM 292 CB THR A 29 59.090 11.026 -3.152 1.00 67.78 C ATOM 293 OG1 THR A 29 58.285 12.048 -3.748 1.00 76.82 O ATOM 294 CG2 THR A 29 60.341 10.829 -4.005 1.00 62.94 C ATOM 295 HG1 THR A 29 57.476 12.193 -3.197 1.00 0.00 H ATOM 296 H THR A 29 57.361 10.094 -5.014 1.00 0.00 H ATOM 297 N HIS A 30 55.893 9.925 -2.465 1.00 72.39 N ATOM 298 CA HIS A 30 54.810 10.223 -1.536 1.00 73.87 C ATOM 299 C HIS A 30 53.654 9.275 -1.773 1.00 75.01 C ATOM 300 O HIS A 30 53.410 8.853 -2.903 1.00 76.55 O ATOM 301 CB HIS A 30 54.254 11.660 -1.682 1.00 72.18 C ATOM 302 CG HIS A 30 55.213 12.738 -1.300 1.00 68.95 C ATOM 303 ND1 HIS A 30 56.367 12.993 -2.007 1.00 71.88 N ATOM 304 CD2 HIS A 30 55.182 13.643 -0.294 1.00 73.39 C ATOM 305 CE1 HIS A 30 57.029 13.985 -1.431 1.00 74.41 C ATOM 306 NE2 HIS A 30 56.326 14.405 -0.393 1.00 73.62 N ATOM 307 H HIS A 30 55.675 9.722 -3.461 1.00 0.00 H ATOM 308 N ASP A 31 52.916 8.992 -0.702 1.00 72.08 N ATOM 309 CA ASP A 31 51.572 8.449 -0.803 1.00 72.72 C ATOM 310 C ASP A 31 50.577 9.555 -0.467 1.00 77.56 C ATOM 311 O ASP A 31 50.767 10.317 0.485 1.00 77.30 O ATOM 312 CB ASP A 31 51.361 7.259 0.130 1.00 77.59 C ATOM 313 CG ASP A 31 52.432 6.198 -0.025 1.00 82.59 C ATOM 314 OD1 ASP A 31 52.556 5.628 -1.139 1.00 80.79 O ATOM 315 OD2 ASP A 31 53.158 5.951 0.972 1.00 80.33 O ATOM 316 H ASP A 31 53.316 9.166 0.242 1.00 0.00 H ATOM 317 N TRP A 32 49.519 9.653 -1.251 1.00 70.79 N ATOM 318 CA TRP A 32 48.525 10.664 -0.995 1.00 69.33 C ATOM 319 C TRP A 32 47.157 10.134 -1.377 1.00 72.39 C ATOM 320 O TRP A 32 47.004 9.208 -2.184 1.00 74.14 O ATOM 321 CB TRP A 32 48.832 11.955 -1.762 1.00 71.44 C ATOM 322 CG TRP A 32 49.055 11.816 -3.242 1.00 69.71 C ATOM 323 CD1 TRP A 32 50.255 11.848 -3.890 1.00 71.38 C ATOM 324 CD2 TRP A 32 48.055 11.671 -4.261 1.00 65.78 C ATOM 325 NE1 TRP A 32 50.066 11.724 -5.246 1.00 69.28 N ATOM 326 CE2 TRP A 32 48.724 11.612 -5.498 1.00 65.37 C ATOM 327 CE3 TRP A 32 46.663 11.567 -4.245 1.00 68.80 C ATOM 328 CZ2 TRP A 32 48.049 11.472 -6.702 1.00 68.53 C ATOM 329 CZ3 TRP A 32 45.986 11.440 -5.451 1.00 68.94 C ATOM 330 CH2 TRP A 32 46.677 11.390 -6.656 1.00 70.70 C ATOM 331 HE1 TRP A 32 50.819 11.716 -5.963 1.00 0.00 H ATOM 332 H TRP A 32 49.403 9.001 -2.053 1.00 0.00 H ATOM 333 N MET A 33 46.154 10.741 -0.788 1.00 74.64 N ATOM 334 CA MET A 33 44.790 10.350 -1.061 1.00 75.92 C ATOM 335 C MET A 33 43.988 11.628 -1.184 1.00 75.13 C ATOM 336 O MET A 33 44.200 12.563 -0.400 1.00 73.97 O ATOM 337 CB MET A 33 44.266 9.440 0.047 1.00 76.82 C ATOM 338 CG MET A 33 42.857 8.976 -0.140 1.00 77.81 C ATOM 339 SD MET A 33 41.779 9.985 0.890 1.00 86.25 S ATOM 340 CE MET A 33 42.670 9.942 2.453 1.00 78.19 C ATOM 341 H MET A 33 46.343 11.513 -0.117 1.00 0.00 H ATOM 342 N VAL A 34 43.113 11.678 -2.204 1.00 74.40 N ATOM 343 CA VAL A 34 42.202 12.806 -2.418 1.00 72.35 C ATOM 344 C VAL A 34 40.762 12.295 -2.385 1.00 74.28 C ATOM 345 O VAL A 34 40.472 11.184 -2.854 1.00 75.10 O ATOM 346 CB VAL A 34 42.495 13.564 -3.736 1.00 70.26 C ATOM 347 CG1 VAL A 34 42.119 12.749 -4.947 1.00 72.27 C ATOM 348 CG2 VAL A 34 41.751 14.867 -3.763 1.00 67.81 C ATOM 349 H VAL A 34 43.081 10.881 -2.871 1.00 0.00 H ATOM 350 N PHE A 35 39.860 13.111 -1.828 1.00 71.70 N ATOM 351 CA PHE A 35 38.518 12.644 -1.510 1.00 68.78 C ATOM 352 C PHE A 35 37.494 13.759 -1.671 1.00 74.02 C ATOM 353 O PHE A 35 37.798 14.952 -1.522 1.00 76.43 O ATOM 354 CB PHE A 35 38.439 12.097 -0.077 1.00 69.78 C ATOM 355 CG PHE A 35 38.742 13.124 0.987 1.00 69.70 C ATOM 356 CD1 PHE A 35 40.047 13.329 1.411 1.00 75.15 C ATOM 357 CD2 PHE A 35 37.729 13.876 1.573 1.00 71.10 C ATOM 358 CE1 PHE A 35 40.356 14.280 2.391 1.00 77.10 C ATOM 359 CE2 PHE A 35 38.017 14.832 2.559 1.00 73.38 C ATOM 360 CZ PHE A 35 39.337 15.044 2.961 1.00 74.45 C ATOM 361 H PHE A 35 40.122 14.096 -1.619 1.00 0.00 H ATOM 362 N VAL A 36 36.258 13.330 -1.932 1.00 73.85 N ATOM 363 CA VAL A 36 35.057 14.149 -1.838 1.00 71.06 C ATOM 364 C VAL A 36 34.101 13.464 -0.859 1.00 76.15 C ATOM 365 O VAL A 36 33.851 12.253 -0.969 1.00 80.05 O ATOM 366 CB VAL A 36 34.389 14.342 -3.215 1.00 71.21 C ATOM 367 CG1 VAL A 36 33.229 15.301 -3.097 1.00 62.56 C ATOM 368 CG2 VAL A 36 35.400 14.822 -4.284 1.00 64.41 C ATOM 369 H VAL A 36 36.144 12.338 -2.224 1.00 0.00 H ATOM 370 N ARG A 37 33.586 14.234 0.104 1.00 74.48 N ATOM 371 CA ARG A 37 32.725 13.744 1.183 1.00 75.77 C ATOM 372 C ARG A 37 31.836 14.896 1.638 1.00 77.67 C ATOM 373 O ARG A 37 32.132 16.055 1.369 1.00 76.42 O ATOM 374 CB ARG A 37 33.531 13.208 2.383 1.00 66.16 C ATOM 375 CG ARG A 37 34.613 14.154 2.875 1.00 70.42 C ATOM 376 CD ARG A 37 34.725 14.321 4.394 1.00 75.01 C ATOM 377 NE ARG A 37 36.061 13.978 4.903 1.00 74.93 N ATOM 378 CZ ARG A 37 36.738 14.652 5.834 1.00 68.45 C ATOM 379 NH1 ARG A 37 36.252 15.760 6.356 1.00 72.79 N ATOM 380 NH2 ARG A 37 37.929 14.222 6.227 1.00 73.22 N ATOM 381 HE ARG A 37 36.519 13.135 4.502 1.00 0.00 H ATOM 382 HH12 ARG A 37 36.792 16.274 7.081 1.00 0.00 H ATOM 383 HH11 ARG A 37 35.328 16.121 6.043 1.00 0.00 H ATOM 384 HH22 ARG A 37 38.458 14.747 6.953 1.00 0.00 H ATOM 385 HH21 ARG A 37 38.334 13.360 5.809 1.00 0.00 H ATOM 386 H ARG A 37 33.812 15.249 0.086 1.00 0.00 H ATOM 387 N GLY A 38 30.739 14.576 2.323 1.00 78.14 N ATOM 388 CA GLY A 38 29.944 15.592 2.975 1.00 74.87 C ATOM 389 C GLY A 38 30.424 15.821 4.399 1.00 77.26 C ATOM 390 O GLY A 38 31.044 14.950 5.009 1.00 82.91 O ATOM 391 H GLY A 38 30.450 13.579 2.390 1.00 0.00 H ATOM 392 N PRO A 39 30.152 16.991 4.966 1.00 82.87 N ATOM 393 CA PRO A 39 30.691 17.283 6.300 1.00 81.59 C ATOM 394 C PRO A 39 30.046 16.405 7.363 1.00 82.94 C ATOM 395 O PRO A 39 28.898 15.975 7.240 1.00 83.45 O ATOM 396 CB PRO A 39 30.371 18.774 6.504 1.00 82.86 C ATOM 397 CG PRO A 39 29.324 19.117 5.500 1.00 74.22 C ATOM 398 CD PRO A 39 29.466 18.155 4.363 1.00 77.82 C ATOM 399 N GLU A 40 30.831 16.079 8.384 1.00 87.95 N ATOM 400 CA GLU A 40 30.355 15.277 9.507 1.00 92.81 C ATOM 401 C GLU A 40 29.695 13.982 9.038 1.00 86.05 C ATOM 402 O GLU A 40 28.643 13.577 9.532 1.00 91.47 O ATOM 403 CB GLU A 40 29.419 16.101 10.386 1.00 92.93 C ATOM 404 CG GLU A 40 30.204 17.205 11.067 1.00 99.56 C ATOM 405 CD GLU A 40 29.344 18.278 11.664 1.00107.78 C ATOM 406 OE1 GLU A 40 28.327 18.661 11.046 1.00106.61 O ATOM 407 OE2 GLU A 40 29.693 18.740 12.771 1.00114.61 O ATOM 408 H GLU A 40 31.818 16.406 8.383 1.00 0.00 H ATOM 409 N HIS A 41 30.341 13.334 8.063 1.00 84.59 N ATOM 410 CA HIS A 41 30.015 11.969 7.620 1.00 87.02 C ATOM 411 C HIS A 41 28.628 11.876 6.995 1.00 86.76 C ATOM 412 O HIS A 41 27.986 10.826 7.003 1.00 86.76 O ATOM 413 CB HIS A 41 30.164 10.962 8.765 1.00 88.73 C ATOM 414 CG HIS A 41 31.570 10.848 9.266 1.00 91.32 C ATOM 415 ND1 HIS A 41 32.057 11.609 10.309 1.00 88.52 N ATOM 416 CD2 HIS A 41 32.600 10.077 8.848 1.00 87.36 C ATOM 417 CE1 HIS A 41 33.326 11.310 10.515 1.00 88.91 C ATOM 418 NE2 HIS A 41 33.680 10.380 9.644 1.00101.10 N ATOM 419 H HIS A 41 31.124 13.826 7.587 1.00 0.00 H ATOM 420 N SER A 42 28.183 12.981 6.429 1.00 87.20 N ATOM 421 CA SER A 42 26.887 13.022 5.796 1.00 82.06 C ATOM 422 C SER A 42 26.921 12.306 4.458 1.00 76.97 C ATOM 423 O SER A 42 27.930 12.284 3.763 1.00 77.46 O ATOM 424 CB SER A 42 26.470 14.467 5.603 1.00 85.16 C ATOM 425 OG SER A 42 27.595 15.173 5.125 1.00 85.50 O ATOM 426 HG SER A 42 28.329 15.110 5.787 1.00 0.00 H ATOM 427 H SER A 42 28.775 13.836 6.439 1.00 0.00 H ATOM 428 N ASN A 43 25.790 11.727 4.107 1.00 82.34 N ATOM 429 CA ASN A 43 25.625 11.020 2.849 1.00 80.47 C ATOM 430 C ASN A 43 25.395 12.017 1.713 1.00 83.82 C ATOM 431 O ASN A 43 24.538 12.902 1.814 1.00 88.19 O ATOM 432 CB ASN A 43 24.445 10.058 2.977 1.00 83.16 C ATOM 433 CG ASN A 43 24.444 8.972 1.928 1.00 90.37 C ATOM 434 OD1 ASN A 43 23.984 9.180 0.807 1.00 89.91 O ATOM 435 ND2 ASN A 43 24.931 7.790 2.297 1.00 91.30 N ATOM 436 HD22 ASN A 43 25.310 7.660 3.257 1.00 0.00 H ATOM 437 HD21 ASN A 43 24.932 6.996 1.626 1.00 0.00 H ATOM 438 H ASN A 43 24.981 11.779 4.759 1.00 0.00 H ATOM 439 N ILE A 44 26.158 11.883 0.632 1.00 79.59 N ATOM 440 CA ILE A 44 25.902 12.654 -0.579 1.00 79.36 C ATOM 441 C ILE A 44 25.538 11.777 -1.767 1.00 80.31 C ATOM 442 O ILE A 44 25.196 12.308 -2.836 1.00 78.95 O ATOM 443 CB ILE A 44 27.093 13.557 -0.937 1.00 77.59 C ATOM 444 CG1 ILE A 44 28.199 12.697 -1.520 1.00 79.33 C ATOM 445 CG2 ILE A 44 27.575 14.298 0.300 1.00 76.96 C ATOM 446 CD1 ILE A 44 29.497 13.372 -1.716 1.00 75.77 C ATOM 447 H ILE A 44 26.954 11.214 0.651 1.00 0.00 H ATOM 448 N GLN A 45 25.568 10.455 -1.616 1.00 85.69 N ATOM 449 CA GLN A 45 25.154 9.566 -2.693 1.00 85.34 C ATOM 450 C GLN A 45 23.676 9.748 -3.051 1.00 83.57 C ATOM 451 O GLN A 45 23.266 9.472 -4.192 1.00 81.81 O ATOM 452 CB GLN A 45 25.438 8.125 -2.281 1.00 83.02 C ATOM 453 CG GLN A 45 25.343 7.110 -3.358 1.00 83.28 C ATOM 454 CD GLN A 45 25.424 5.739 -2.765 1.00 95.98 C ATOM 455 OE1 GLN A 45 24.856 5.479 -1.691 1.00 97.53 O ATOM 456 NE2 GLN A 45 26.153 4.849 -3.435 1.00 95.55 N ATOM 457 HE22 GLN A 45 26.608 5.118 -4.331 1.00 0.00 H ATOM 458 HE21 GLN A 45 26.267 3.885 -3.063 1.00 0.00 H ATOM 459 H GLN A 45 25.892 10.050 -0.715 1.00 0.00 H ATOM 460 N HIS A 46 22.861 10.218 -2.105 1.00 81.82 N ATOM 461 CA HIS A 46 21.466 10.490 -2.419 1.00 81.41 C ATOM 462 C HIS A 46 21.341 11.369 -3.660 1.00 82.86 C ATOM 463 O HIS A 46 20.376 11.230 -4.427 1.00 83.06 O ATOM 464 CB HIS A 46 20.778 11.136 -1.215 1.00 85.86 C ATOM 465 CG HIS A 46 20.762 10.275 0.015 1.00 93.29 C ATOM 466 ND1 HIS A 46 20.151 9.037 0.056 1.00 94.50 N ATOM 467 CD2 HIS A 46 21.253 10.488 1.262 1.00 91.62 C ATOM 468 CE1 HIS A 46 20.276 8.521 1.268 1.00 91.03 C ATOM 469 NE2 HIS A 46 20.939 9.382 2.020 1.00 95.10 N ATOM 470 H HIS A 46 23.222 10.390 -1.145 1.00 0.00 H ATOM 471 N PHE A 47 22.325 12.258 -3.903 1.00 82.41 N ATOM 472 CA PHE A 47 22.225 13.166 -5.041 1.00 79.64 C ATOM 473 C PHE A 47 23.453 13.225 -5.941 1.00 76.17 C ATOM 474 O PHE A 47 23.407 13.909 -6.972 1.00 76.98 O ATOM 475 CB PHE A 47 21.872 14.590 -4.576 1.00 78.97 C ATOM 476 CG PHE A 47 22.750 15.121 -3.472 1.00 76.90 C ATOM 477 CD1 PHE A 47 22.455 14.871 -2.142 1.00 78.82 C ATOM 478 CD2 PHE A 47 23.848 15.906 -3.768 1.00 72.72 C ATOM 479 CE1 PHE A 47 23.251 15.385 -1.123 1.00 75.40 C ATOM 480 CE2 PHE A 47 24.650 16.405 -2.763 1.00 73.50 C ATOM 481 CZ PHE A 47 24.341 16.138 -1.440 1.00 71.55 C ATOM 482 H PHE A 47 23.156 12.297 -3.279 1.00 0.00 H ATOM 483 N VAL A 48 24.527 12.518 -5.613 1.00 73.91 N ATOM 484 CA VAL A 48 25.715 12.475 -6.457 1.00 78.04 C ATOM 485 C VAL A 48 25.714 11.174 -7.246 1.00 79.51 C ATOM 486 O VAL A 48 25.670 10.082 -6.670 1.00 78.71 O ATOM 487 CB VAL A 48 26.999 12.644 -5.631 1.00 84.94 C ATOM 488 CG1 VAL A 48 28.237 12.228 -6.440 1.00 78.77 C ATOM 489 CG2 VAL A 48 27.122 14.128 -5.145 1.00 77.18 C ATOM 490 H VAL A 48 24.521 11.977 -4.725 1.00 0.00 H ATOM 491 N GLU A 49 25.774 11.297 -8.572 1.00 82.15 N ATOM 492 CA GLU A 49 25.762 10.148 -9.470 1.00 81.51 C ATOM 493 C GLU A 49 27.129 9.486 -9.551 1.00 82.35 C ATOM 494 O GLU A 49 27.229 8.263 -9.414 1.00 88.17 O ATOM 495 CB GLU A 49 25.277 10.601 -10.852 1.00 85.16 C ATOM 496 CG GLU A 49 25.702 9.763 -12.055 1.00 85.01 C ATOM 497 CD GLU A 49 25.237 10.410 -13.362 1.00 86.27 C ATOM 498 OE1 GLU A 49 24.810 11.592 -13.306 1.00 87.43 O ATOM 499 OE2 GLU A 49 25.292 9.754 -14.434 1.00 87.90 O ATOM 500 H GLU A 49 25.832 12.251 -8.983 1.00 0.00 H ATOM 501 N LYS A 50 28.184 10.284 -9.762 1.00 79.57 N ATOM 502 CA LYS A 50 29.587 9.869 -9.789 1.00 75.68 C ATOM 503 C LYS A 50 30.464 11.104 -9.587 1.00 82.67 C ATOM 504 O LYS A 50 30.029 12.251 -9.795 1.00 79.08 O ATOM 505 CB LYS A 50 29.964 9.174 -11.108 1.00 69.45 C ATOM 506 CG LYS A 50 29.792 10.081 -12.337 1.00 76.25 C ATOM 507 CD LYS A 50 30.055 9.423 -13.711 1.00 76.79 C ATOM 508 CE LYS A 50 29.778 10.425 -14.856 1.00 82.93 C ATOM 509 NZ LYS A 50 30.166 9.948 -16.235 1.00 86.12 N ATOM 510 HZ1 LYS A 50 31.186 9.747 -16.257 1.00 0.00 H ATOM 511 HZ2 LYS A 50 29.636 9.083 -16.463 1.00 0.00 H ATOM 512 HZ3 LYS A 50 29.942 10.687 -16.932 1.00 0.00 H ATOM 513 H LYS A 50 27.988 11.293 -9.922 1.00 0.00 H ATOM 514 N VAL A 51 31.716 10.842 -9.170 1.00 83.07 N ATOM 515 CA VAL A 51 32.786 11.835 -9.057 1.00 76.14 C ATOM 516 C VAL A 51 33.941 11.422 -9.964 1.00 74.35 C ATOM 517 O VAL A 51 34.399 10.275 -9.923 1.00 75.10 O ATOM 518 CB VAL A 51 33.287 11.991 -7.608 1.00 79.62 C ATOM 519 CG1 VAL A 51 34.434 13.002 -7.573 1.00 74.13 C ATOM 520 CG2 VAL A 51 32.163 12.443 -6.687 1.00 72.09 C ATOM 521 H VAL A 51 31.941 9.861 -8.908 1.00 0.00 H ATOM 522 N VAL A 52 34.435 12.367 -10.749 1.00 80.65 N ATOM 523 CA VAL A 52 35.464 12.112 -11.756 1.00 82.87 C ATOM 524 C VAL A 52 36.748 12.853 -11.359 1.00 74.18 C ATOM 525 O VAL A 52 36.745 14.080 -11.243 1.00 75.63 O ATOM 526 CB VAL A 52 34.959 12.535 -13.148 1.00 80.64 C ATOM 527 CG1 VAL A 52 36.058 12.484 -14.187 1.00 80.33 C ATOM 528 CG2 VAL A 52 33.793 11.619 -13.569 1.00 82.37 C ATOM 529 H VAL A 52 34.074 13.337 -10.644 1.00 0.00 H ATOM 530 N PHE A 53 37.844 12.103 -11.152 1.00 78.30 N ATOM 531 CA PHE A 53 39.158 12.653 -10.787 1.00 75.22 C ATOM 532 C PHE A 53 40.082 12.603 -11.995 1.00 76.50 C ATOM 533 O PHE A 53 40.518 11.518 -12.405 1.00 78.98 O ATOM 534 CB PHE A 53 39.796 11.880 -9.632 1.00 69.87 C ATOM 535 CG PHE A 53 38.977 11.869 -8.399 1.00 73.86 C ATOM 536 CD1 PHE A 53 37.971 10.925 -8.233 1.00 76.19 C ATOM 537 CD2 PHE A 53 39.203 12.796 -7.400 1.00 67.26 C ATOM 538 CE1 PHE A 53 37.201 10.902 -7.085 1.00 73.65 C ATOM 539 CE2 PHE A 53 38.442 12.796 -6.265 1.00 66.61 C ATOM 540 CZ PHE A 53 37.431 11.843 -6.101 1.00 74.51 C ATOM 541 H PHE A 53 37.758 11.072 -11.256 1.00 0.00 H ATOM 542 N HIS A 54 40.374 13.771 -12.564 1.00 75.04 N ATOM 543 CA HIS A 54 41.248 13.878 -13.737 1.00 80.17 C ATOM 544 C HIS A 54 42.682 14.010 -13.243 1.00 78.76 C ATOM 545 O HIS A 54 43.159 15.099 -12.933 1.00 78.11 O ATOM 546 CB HIS A 54 40.842 15.054 -14.616 1.00 81.25 C ATOM 547 CG HIS A 54 39.452 14.947 -15.175 1.00 83.50 C ATOM 548 ND1 HIS A 54 39.137 14.137 -16.245 1.00 86.91 N ATOM 549 CD2 HIS A 54 38.300 15.570 -14.826 1.00 80.11 C ATOM 550 CE1 HIS A 54 37.850 14.261 -16.527 1.00 88.70 C ATOM 551 NE2 HIS A 54 37.317 15.120 -15.675 1.00 83.24 N ATOM 552 H HIS A 54 39.967 14.640 -12.162 1.00 0.00 H ATOM 553 N LEU A 55 43.373 12.878 -13.151 1.00 74.72 N ATOM 554 CA LEU A 55 44.766 12.914 -12.740 1.00 76.55 C ATOM 555 C LEU A 55 45.639 13.528 -13.842 1.00 78.25 C ATOM 556 O LEU A 55 45.220 13.698 -14.994 1.00 81.09 O ATOM 557 CB LEU A 55 45.267 11.516 -12.397 1.00 76.19 C ATOM 558 CG LEU A 55 44.609 10.791 -11.234 1.00 73.26 C ATOM 559 CD1 LEU A 55 45.316 9.486 -11.073 1.00 69.65 C ATOM 560 CD2 LEU A 55 44.669 11.593 -9.957 1.00 72.91 C ATOM 561 H LEU A 55 42.918 11.970 -13.373 1.00 0.00 H ATOM 562 N HIS A 56 46.871 13.866 -13.473 1.00 73.82 N ATOM 563 CA HIS A 56 47.805 14.439 -14.432 1.00 75.78 C ATOM 564 C HIS A 56 48.162 13.411 -15.507 1.00 82.79 C ATOM 565 O HIS A 56 48.034 12.191 -15.312 1.00 84.39 O ATOM 566 CB HIS A 56 49.054 14.945 -13.702 1.00 73.38 C ATOM 567 CG HIS A 56 50.043 15.658 -14.571 1.00 74.74 C ATOM 568 ND1 HIS A 56 51.235 15.086 -14.960 1.00 81.90 N ATOM 569 CD2 HIS A 56 50.044 16.906 -15.088 1.00 71.87 C ATOM 570 CE1 HIS A 56 51.910 15.943 -15.706 1.00 75.57 C ATOM 571 NE2 HIS A 56 51.215 17.060 -15.792 1.00 61.87 N ATOM 572 H HIS A 56 47.171 13.719 -12.488 1.00 0.00 H ATOM 573 N GLU A 57 48.581 13.926 -16.667 1.00 85.68 N ATOM 574 CA GLU A 57 48.904 13.071 -17.803 1.00 86.38 C ATOM 575 C GLU A 57 49.890 11.979 -17.430 1.00 82.58 C ATOM 576 O GLU A 57 49.717 10.818 -17.819 1.00 92.13 O ATOM 577 CB GLU A 57 49.469 13.918 -18.934 1.00 87.74 C ATOM 578 CG GLU A 57 48.414 14.415 -19.872 1.00 94.51 C ATOM 579 CD GLU A 57 49.000 15.266 -20.980 1.00109.79 C ATOM 580 OE1 GLU A 57 50.234 15.542 -20.923 1.00103.03 O ATOM 581 OE2 GLU A 57 48.221 15.662 -21.891 1.00110.00 O ATOM 582 H GLU A 57 48.679 14.957 -16.761 1.00 0.00 H ATOM 583 N SER A 58 50.900 12.322 -16.628 1.00 79.58 N ATOM 584 CA SER A 58 51.997 11.413 -16.286 1.00 80.64 C ATOM 585 C SER A 58 51.530 10.156 -15.558 1.00 78.68 C ATOM 586 O SER A 58 52.356 9.273 -15.308 1.00 81.78 O ATOM 587 CB SER A 58 53.028 12.166 -15.423 1.00 83.43 C ATOM 588 OG SER A 58 52.395 13.037 -14.490 1.00 80.28 O ATOM 589 HG SER A 58 51.850 13.703 -14.979 1.00 0.00 H ATOM 590 H SER A 58 50.909 13.281 -16.226 1.00 0.00 H ATOM 591 N PHE A 59 50.305 10.076 -15.197 1.00 82.62 N ATOM 592 CA PHE A 59 49.683 8.981 -14.470 1.00 83.33 C ATOM 593 C PHE A 59 49.060 7.991 -15.447 1.00 84.63 C ATOM 594 O PHE A 59 48.425 8.399 -16.429 1.00 82.19 O ATOM 595 CB PHE A 59 48.594 9.499 -13.522 1.00 79.70 C ATOM 596 CG PHE A 59 49.117 9.935 -12.181 1.00 78.97 C ATOM 597 CD1 PHE A 59 49.314 9.012 -11.169 1.00 77.44 C ATOM 598 CD2 PHE A 59 49.417 11.267 -11.930 1.00 78.69 C ATOM 599 CE1 PHE A 59 49.824 9.406 -9.947 1.00 78.28 C ATOM 600 CE2 PHE A 59 49.915 11.662 -10.699 1.00 73.12 C ATOM 601 CZ PHE A 59 50.116 10.741 -9.706 1.00 73.06 C ATOM 602 H PHE A 59 49.691 10.877 -15.450 1.00 0.00 H ATOM 603 N PRO A 60 49.275 6.703 -15.183 1.00 88.79 N ATOM 604 CA PRO A 60 48.507 5.669 -15.877 1.00 83.05 C ATOM 605 C PRO A 60 47.019 5.935 -15.742 1.00 89.80 C ATOM 606 O PRO A 60 46.551 6.448 -14.720 1.00 92.00 O ATOM 607 CB PRO A 60 48.901 4.389 -15.144 1.00 76.62 C ATOM 608 CG PRO A 60 50.243 4.680 -14.579 1.00 83.22 C ATOM 609 CD PRO A 60 50.270 6.130 -14.256 1.00 83.28 C ATOM 610 N ARG A 61 46.270 5.574 -16.780 1.00 89.58 N ATOM 611 CA ARG A 61 44.814 5.552 -16.723 1.00 90.10 C ATOM 612 C ARG A 61 44.280 6.853 -16.128 1.00 88.05 C ATOM 613 O ARG A 61 43.598 6.845 -15.093 1.00 88.28 O ATOM 614 CB ARG A 61 44.346 4.345 -15.918 1.00 92.00 C ATOM 615 CG ARG A 61 44.495 2.995 -16.645 1.00 97.34 C ATOM 616 CD ARG A 61 44.258 1.693 -15.776 1.00102.70 C ATOM 617 NE ARG A 61 43.830 1.872 -14.383 1.00104.85 N ATOM 618 CZ ARG A 61 44.634 2.253 -13.385 1.00101.85 C ATOM 619 NH1 ARG A 61 44.162 2.374 -12.146 1.00 98.35 N ATOM 620 NH2 ARG A 61 45.911 2.546 -13.631 1.00 93.15 N ATOM 621 HE ARG A 61 42.831 1.690 -14.157 1.00 0.00 H ATOM 622 HH12 ARG A 61 44.794 2.671 -11.375 1.00 0.00 H ATOM 623 HH11 ARG A 61 43.161 2.172 -11.949 1.00 0.00 H ATOM 624 HH22 ARG A 61 46.536 2.842 -12.854 1.00 0.00 H ATOM 625 HH21 ARG A 61 46.283 2.478 -14.600 1.00 0.00 H ATOM 626 H ARG A 61 46.741 5.297 -17.665 1.00 0.00 H ATOM 627 N PRO A 62 44.599 8.009 -16.726 1.00 84.26 N ATOM 628 CA PRO A 62 44.462 9.269 -15.979 1.00 81.12 C ATOM 629 C PRO A 62 43.032 9.608 -15.564 1.00 83.74 C ATOM 630 O PRO A 62 42.849 10.331 -14.579 1.00 83.74 O ATOM 631 CB PRO A 62 45.063 10.315 -16.935 1.00 77.11 C ATOM 632 CG PRO A 62 45.028 9.717 -18.279 1.00 79.00 C ATOM 633 CD PRO A 62 45.113 8.218 -18.096 1.00 83.70 C ATOM 634 N LYS A 63 42.003 9.101 -16.239 1.00 87.43 N ATOM 635 CA LYS A 63 40.619 9.372 -15.833 1.00 86.62 C ATOM 636 C LYS A 63 40.212 8.318 -14.804 1.00 84.05 C ATOM 637 O LYS A 63 40.128 7.127 -15.128 1.00 88.58 O ATOM 638 CB LYS A 63 39.686 9.384 -17.055 1.00 82.86 C ATOM 639 CG LYS A 63 38.219 9.852 -16.847 1.00 80.96 C ATOM 640 CD LYS A 63 37.369 9.633 -18.138 1.00 78.86 C ATOM 641 CE LYS A 63 35.886 10.074 -18.033 1.00 84.00 C ATOM 642 NZ LYS A 63 35.588 11.452 -18.599 1.00 91.68 N ATOM 643 HZ1 LYS A 63 36.149 12.164 -18.089 1.00 0.00 H ATOM 644 HZ2 LYS A 63 35.836 11.472 -19.609 1.00 0.00 H ATOM 645 HZ3 LYS A 63 34.576 11.661 -18.485 1.00 0.00 H ATOM 646 H LYS A 63 42.183 8.502 -17.070 1.00 0.00 H ATOM 647 N ARG A 64 40.016 8.740 -13.555 1.00 82.25 N ATOM 648 CA ARG A 64 39.503 7.862 -12.502 1.00 74.72 C ATOM 649 C ARG A 64 38.064 8.250 -12.195 1.00 77.76 C ATOM 650 O ARG A 64 37.737 9.436 -12.111 1.00 82.93 O ATOM 651 CB ARG A 64 40.354 7.955 -11.241 1.00 75.49 C ATOM 652 CG ARG A 64 41.817 7.788 -11.505 1.00 77.39 C ATOM 653 CD ARG A 64 42.096 6.423 -12.117 1.00 81.76 C ATOM 654 NE ARG A 64 43.527 6.266 -12.298 1.00 85.20 N ATOM 655 CZ ARG A 64 44.352 5.892 -11.329 1.00 84.54 C ATOM 656 NH1 ARG A 64 45.652 5.809 -11.567 1.00 79.27 N ATOM 657 NH2 ARG A 64 43.871 5.625 -10.120 1.00 87.77 N ATOM 658 HE ARG A 64 43.928 6.457 -13.239 1.00 0.00 H ATOM 659 HH12 ARG A 64 46.302 5.516 -10.810 1.00 0.00 H ATOM 660 HH11 ARG A 64 46.023 6.037 -12.511 1.00 0.00 H ATOM 661 HH22 ARG A 64 44.514 5.331 -9.358 1.00 0.00 H ATOM 662 HH21 ARG A 64 42.851 5.709 -9.936 1.00 0.00 H ATOM 663 H ARG A 64 40.236 9.729 -13.320 1.00 0.00 H ATOM 664 N VAL A 65 37.201 7.253 -12.041 1.00 78.11 N ATOM 665 CA VAL A 65 35.765 7.462 -11.871 1.00 76.61 C ATOM 666 C VAL A 65 35.314 6.681 -10.642 1.00 78.20 C ATOM 667 O VAL A 65 35.572 5.476 -10.546 1.00 69.62 O ATOM 668 CB VAL A 65 34.980 7.048 -13.128 1.00 70.96 C ATOM 669 CG1 VAL A 65 33.502 7.228 -12.916 1.00 71.81 C ATOM 670 CG2 VAL A 65 35.470 7.855 -14.351 1.00 72.12 C ATOM 671 H VAL A 65 37.564 6.278 -12.041 1.00 0.00 H ATOM 672 N CYS A 66 34.686 7.372 -9.686 1.00 75.30 N ATOM 673 CA CYS A 66 34.056 6.720 -8.546 1.00 78.62 C ATOM 674 C CYS A 66 32.557 6.897 -8.692 1.00 82.46 C ATOM 675 O CYS A 66 32.081 8.028 -8.826 1.00 79.86 O ATOM 676 CB CYS A 66 34.536 7.298 -7.218 1.00 72.44 C ATOM 677 SG CYS A 66 36.228 6.946 -6.850 1.00 82.18 S ATOM 678 H CYS A 66 34.646 8.409 -9.758 1.00 0.00 H ATOM 679 N LYS A 67 31.821 5.779 -8.694 1.00 81.30 N ATOM 680 CA LYS A 67 30.366 5.816 -8.788 1.00 81.80 C ATOM 681 C LYS A 67 29.677 5.680 -7.438 1.00 80.90 C ATOM 682 O LYS A 67 28.476 5.961 -7.355 1.00 84.10 O ATOM 683 CB LYS A 67 29.851 4.726 -9.752 1.00 88.11 C ATOM 684 CG LYS A 67 30.063 5.051 -11.255 1.00 89.93 C ATOM 685 CD LYS A 67 29.736 3.877 -12.176 1.00 96.66 C ATOM 686 CE LYS A 67 29.878 4.263 -13.658 1.00 97.71 C ATOM 687 NZ LYS A 67 29.634 3.119 -14.595 1.00 97.99 N ATOM 688 HZ1 LYS A 67 30.320 2.361 -14.401 1.00 0.00 H ATOM 689 HZ2 LYS A 67 28.668 2.758 -14.456 1.00 0.00 H ATOM 690 HZ3 LYS A 67 29.745 3.446 -15.576 1.00 0.00 H ATOM 691 H LYS A 67 32.300 4.858 -8.627 1.00 0.00 H ATOM 692 N ASP A 68 30.391 5.288 -6.385 1.00 78.11 N ATOM 693 CA ASP A 68 29.773 5.071 -5.081 1.00 82.32 C ATOM 694 C ASP A 68 30.793 5.435 -4.007 1.00 79.83 C ATOM 695 O ASP A 68 31.996 5.410 -4.271 1.00 80.89 O ATOM 696 CB ASP A 68 29.296 3.616 -4.924 1.00 90.79 C ATOM 697 CG ASP A 68 28.506 3.105 -6.161 1.00 85.43 C ATOM 698 OD1 ASP A 68 27.294 3.400 -6.254 1.00 90.86 O ATOM 699 OD2 ASP A 68 29.102 2.441 -7.045 1.00 84.66 O ATOM 700 H ASP A 68 31.414 5.133 -6.494 1.00 0.00 H ATOM 701 N PRO A 69 30.344 5.785 -2.774 1.00 83.81 N ATOM 702 CA PRO A 69 31.286 6.136 -1.695 1.00 80.58 C ATOM 703 C PRO A 69 32.239 5.016 -1.349 1.00 78.16 C ATOM 704 O PRO A 69 31.960 3.881 -1.666 1.00 84.26 O ATOM 705 CB PRO A 69 30.376 6.440 -0.491 1.00 80.64 C ATOM 706 CG PRO A 69 29.017 5.922 -0.858 1.00 80.15 C ATOM 707 CD PRO A 69 28.944 6.014 -2.358 1.00 83.21 C ATOM 708 N PRO A 70 33.390 5.332 -0.761 1.00 84.81 N ATOM 709 CA PRO A 70 33.962 6.676 -0.680 1.00 80.73 C ATOM 710 C PRO A 70 34.422 7.152 -2.063 1.00 76.06 C ATOM 711 O PRO A 70 34.999 6.403 -2.846 1.00 77.72 O ATOM 712 CB PRO A 70 35.144 6.502 0.288 1.00 77.79 C ATOM 713 CG PRO A 70 35.516 5.059 0.175 1.00 75.61 C ATOM 714 CD PRO A 70 34.238 4.321 -0.102 1.00 84.72 C ATOM 715 N TYR A 71 34.119 8.407 -2.379 1.00 82.43 N ATOM 716 CA TYR A 71 34.644 9.020 -3.601 1.00 84.09 C ATOM 717 C TYR A 71 36.093 9.438 -3.344 1.00 76.01 C ATOM 718 O TYR A 71 36.374 10.572 -2.978 1.00 70.49 O ATOM 719 CB TYR A 71 33.777 10.196 -4.024 1.00 78.34 C ATOM 720 CG TYR A 71 32.319 9.854 -4.084 1.00 83.87 C ATOM 721 CD1 TYR A 71 31.500 9.993 -2.963 1.00 85.55 C ATOM 722 CD2 TYR A 71 31.743 9.407 -5.269 1.00 83.85 C ATOM 723 CE1 TYR A 71 30.139 9.685 -3.025 1.00 83.34 C ATOM 724 CE2 TYR A 71 30.382 9.092 -5.343 1.00 78.79 C ATOM 725 CZ TYR A 71 29.587 9.242 -4.217 1.00 80.84 C ATOM 726 OH TYR A 71 28.241 8.940 -4.258 1.00 85.44 O ATOM 727 HH TYR A 71 27.797 9.510 -4.935 1.00 0.00 H ATOM 728 H TYR A 71 33.502 8.960 -1.751 1.00 0.00 H ATOM 729 N LYS A 72 37.028 8.502 -3.521 1.00 74.17 N ATOM 730 CA LYS A 72 38.416 8.772 -3.185 1.00 74.67 C ATOM 731 C LYS A 72 39.337 8.090 -4.179 1.00 74.09 C ATOM 732 O LYS A 72 38.967 7.104 -4.825 1.00 77.99 O ATOM 733 CB LYS A 72 38.780 8.303 -1.768 1.00 72.82 C ATOM 734 CG LYS A 72 38.728 6.807 -1.600 1.00 69.29 C ATOM 735 CD LYS A 72 39.305 6.371 -0.269 1.00 79.16 C ATOM 736 CE LYS A 72 39.257 4.831 -0.065 1.00 90.02 C ATOM 737 NZ LYS A 72 40.094 4.020 -1.021 1.00 86.75 N ATOM 738 HZ1 LYS A 72 39.775 4.196 -1.995 1.00 0.00 H ATOM 739 HZ2 LYS A 72 41.092 4.297 -0.927 1.00 0.00 H ATOM 740 HZ3 LYS A 72 39.991 3.009 -0.799 1.00 0.00 H ATOM 741 H LYS A 72 36.761 7.572 -3.902 1.00 0.00 H ATOM 742 N VAL A 73 40.545 8.625 -4.287 1.00 70.49 N ATOM 743 CA VAL A 73 41.619 7.993 -5.036 1.00 70.62 C ATOM 744 C VAL A 73 42.864 8.004 -4.162 1.00 74.33 C ATOM 745 O VAL A 73 43.131 8.999 -3.474 1.00 75.97 O ATOM 746 CB VAL A 73 41.873 8.707 -6.383 1.00 70.21 C ATOM 747 CG1 VAL A 73 43.033 8.088 -7.132 1.00 70.11 C ATOM 748 CG2 VAL A 73 40.617 8.663 -7.240 1.00 73.05 C ATOM 749 H VAL A 73 40.732 9.534 -3.817 1.00 0.00 H ATOM 750 N GLU A 74 43.602 6.882 -4.161 1.00 75.63 N ATOM 751 CA GLU A 74 44.870 6.745 -3.447 1.00 76.27 C ATOM 752 C GLU A 74 45.982 6.447 -4.441 1.00 77.75 C ATOM 753 O GLU A 74 45.807 5.611 -5.336 1.00 72.78 O ATOM 754 CB GLU A 74 44.832 5.624 -2.401 1.00 71.26 C ATOM 755 CG GLU A 74 43.531 5.524 -1.634 1.00 83.86 C ATOM 756 CD GLU A 74 43.664 4.676 -0.382 1.00 86.63 C ATOM 757 OE1 GLU A 74 44.546 4.988 0.451 1.00 79.54 O ATOM 758 OE2 GLU A 74 42.883 3.705 -0.236 1.00 90.07 O ATOM 759 H GLU A 74 43.251 6.064 -4.699 1.00 0.00 H ATOM 760 N GLU A 75 47.130 7.117 -4.276 1.00 74.69 N ATOM 761 CA GLU A 75 48.182 7.019 -5.277 1.00 70.32 C ATOM 762 C GLU A 75 49.502 7.395 -4.640 1.00 71.97 C ATOM 763 O GLU A 75 49.548 7.842 -3.492 1.00 73.59 O ATOM 764 CB GLU A 75 47.898 7.926 -6.481 1.00 75.22 C ATOM 765 CG GLU A 75 47.094 7.279 -7.610 1.00 80.14 C ATOM 766 CD GLU A 75 47.944 6.364 -8.485 1.00 82.02 C ATOM 767 OE1 GLU A 75 49.077 6.015 -8.070 1.00 87.62 O ATOM 768 OE2 GLU A 75 47.500 6.016 -9.609 1.00 82.03 O ATOM 769 H GLU A 75 47.270 7.708 -3.432 1.00 0.00 H ATOM 770 N SER A 76 50.576 7.244 -5.427 1.00 70.63 N ATOM 771 CA SER A 76 51.918 7.665 -5.047 1.00 72.65 C ATOM 772 C SER A 76 52.516 8.502 -6.167 1.00 74.04 C ATOM 773 O SER A 76 52.199 8.312 -7.346 1.00 74.61 O ATOM 774 CB SER A 76 52.825 6.478 -4.743 1.00 72.73 C ATOM 775 OG SER A 76 52.299 5.743 -3.653 1.00 77.39 O ATOM 776 HG SER A 76 52.246 6.329 -2.857 1.00 0.00 H ATOM 777 H SER A 76 50.444 6.802 -6.359 1.00 0.00 H ATOM 778 N GLY A 77 53.384 9.439 -5.788 1.00 69.18 N ATOM 779 CA GLY A 77 53.871 10.383 -6.774 1.00 71.70 C ATOM 780 C GLY A 77 55.139 11.079 -6.333 1.00 71.53 C ATOM 781 O GLY A 77 55.693 10.806 -5.263 1.00 70.70 O ATOM 782 H GLY A 77 53.707 9.492 -4.801 1.00 0.00 H ATOM 783 N TYR A 78 55.599 11.996 -7.180 1.00 69.85 N ATOM 784 CA TYR A 78 56.825 12.709 -6.876 1.00 72.18 C ATOM 785 C TYR A 78 56.695 14.216 -6.863 1.00 67.52 C ATOM 786 O TYR A 78 57.683 14.877 -6.544 1.00 69.77 O ATOM 787 CB TYR A 78 57.940 12.327 -7.865 1.00 73.10 C ATOM 788 CG TYR A 78 57.558 12.416 -9.320 1.00 70.56 C ATOM 789 CD1 TYR A 78 56.957 11.343 -9.942 1.00 75.78 C ATOM 790 CD2 TYR A 78 57.819 13.554 -10.070 1.00 71.16 C ATOM 791 CE1 TYR A 78 56.612 11.389 -11.259 1.00 78.87 C ATOM 792 CE2 TYR A 78 57.472 13.616 -11.407 1.00 72.93 C ATOM 793 CZ TYR A 78 56.873 12.518 -11.997 1.00 74.67 C ATOM 794 OH TYR A 78 56.493 12.510 -13.326 1.00 80.43 O ATOM 795 HH TYR A 78 56.086 11.635 -13.546 1.00 0.00 H ATOM 796 H TYR A 78 55.081 12.201 -8.058 1.00 0.00 H ATOM 797 N ALA A 79 55.529 14.768 -7.196 1.00 70.57 N ATOM 798 CA ALA A 79 55.345 16.199 -7.420 1.00 69.79 C ATOM 799 C ALA A 79 53.852 16.507 -7.408 1.00 69.21 C ATOM 800 O ALA A 79 53.044 15.640 -7.725 1.00 65.45 O ATOM 801 CB ALA A 79 55.987 16.624 -8.743 1.00 65.66 C ATOM 802 H ALA A 79 54.703 14.144 -7.302 1.00 0.00 H ATOM 803 N GLY A 80 53.489 17.746 -7.028 1.00 68.61 N ATOM 804 CA GLY A 80 52.098 18.163 -6.964 1.00 67.25 C ATOM 805 C GLY A 80 51.590 18.700 -8.285 1.00 69.07 C ATOM 806 O GLY A 80 52.350 18.868 -9.246 1.00 70.18 O ATOM 807 H GLY A 80 54.230 18.429 -6.771 1.00 0.00 H ATOM 808 N PHE A 81 50.285 18.988 -8.323 1.00 63.99 N ATOM 809 CA PHE A 81 49.638 19.324 -9.590 1.00 63.87 C ATOM 810 C PHE A 81 48.183 19.745 -9.375 1.00 66.86 C ATOM 811 O PHE A 81 47.567 19.458 -8.336 1.00 69.89 O ATOM 812 CB PHE A 81 49.698 18.137 -10.559 1.00 66.50 C ATOM 813 CG PHE A 81 49.077 16.857 -10.002 1.00 67.61 C ATOM 814 CD1 PHE A 81 49.823 16.003 -9.194 1.00 68.45 C ATOM 815 CD2 PHE A 81 47.762 16.514 -10.290 1.00 66.93 C ATOM 816 CE1 PHE A 81 49.281 14.850 -8.669 1.00 67.97 C ATOM 817 CE2 PHE A 81 47.199 15.344 -9.773 1.00 69.66 C ATOM 818 CZ PHE A 81 47.961 14.512 -8.955 1.00 70.31 C ATOM 819 H PHE A 81 49.727 18.973 -7.446 1.00 0.00 H ATOM 820 N ILE A 82 47.627 20.401 -10.403 1.00 61.78 N ATOM 821 CA ILE A 82 46.193 20.707 -10.434 1.00 66.10 C ATOM 822 C ILE A 82 45.411 19.463 -10.847 1.00 68.51 C ATOM 823 O ILE A 82 45.765 18.774 -11.810 1.00 72.61 O ATOM 824 CB ILE A 82 45.890 21.885 -11.374 1.00 71.09 C ATOM 825 CG1 ILE A 82 46.502 23.212 -10.859 1.00 61.10 C ATOM 826 CG2 ILE A 82 44.356 22.007 -11.620 1.00 69.46 C ATOM 827 CD1 ILE A 82 46.168 23.562 -9.456 1.00 58.11 C ATOM 828 H ILE A 82 48.227 20.700 -11.198 1.00 0.00 H ATOM 829 N LEU A 83 44.331 19.184 -10.128 1.00 68.48 N ATOM 830 CA LEU A 83 43.553 17.958 -10.291 1.00 68.93 C ATOM 831 C LEU A 83 42.099 18.343 -10.470 1.00 69.83 C ATOM 832 O LEU A 83 41.402 18.622 -9.473 1.00 74.32 O ATOM 833 CB LEU A 83 43.736 17.059 -9.071 1.00 69.49 C ATOM 834 CG LEU A 83 43.416 15.570 -9.153 1.00 74.97 C ATOM 835 CD1 LEU A 83 44.051 14.869 -7.956 1.00 69.16 C ATOM 836 CD2 LEU A 83 41.899 15.295 -9.230 1.00 69.88 C ATOM 837 H LEU A 83 44.023 19.873 -9.412 1.00 0.00 H ATOM 838 N PRO A 84 41.603 18.438 -11.706 1.00 73.39 N ATOM 839 CA PRO A 84 40.198 18.833 -11.885 1.00 71.53 C ATOM 840 C PRO A 84 39.300 17.701 -11.417 1.00 74.52 C ATOM 841 O PRO A 84 39.520 16.527 -11.738 1.00 74.66 O ATOM 842 CB PRO A 84 40.070 19.089 -13.391 1.00 72.02 C ATOM 843 CG PRO A 84 41.513 19.231 -13.883 1.00 78.06 C ATOM 844 CD PRO A 84 42.306 18.303 -12.992 1.00 70.78 C ATOM 845 N ILE A 85 38.338 18.050 -10.589 1.00 73.25 N ATOM 846 CA ILE A 85 37.385 17.092 -10.063 1.00 72.62 C ATOM 847 C ILE A 85 36.024 17.449 -10.629 1.00 74.56 C ATOM 848 O ILE A 85 35.650 18.628 -10.649 1.00 78.79 O ATOM 849 CB ILE A 85 37.388 17.106 -8.526 1.00 71.40 C ATOM 850 CG1 ILE A 85 38.741 16.567 -8.032 1.00 70.69 C ATOM 851 CG2 ILE A 85 36.197 16.368 -7.969 1.00 63.77 C ATOM 852 CD1 ILE A 85 38.989 16.799 -6.569 1.00 65.53 C ATOM 853 H ILE A 85 38.259 19.047 -10.302 1.00 0.00 H ATOM 854 N GLU A 86 35.316 16.455 -11.147 1.00 70.98 N ATOM 855 CA GLU A 86 33.972 16.663 -11.671 1.00 77.84 C ATOM 856 C GLU A 86 32.972 15.927 -10.793 1.00 76.08 C ATOM 857 O GLU A 86 33.190 14.766 -10.434 1.00 77.47 O ATOM 858 CB GLU A 86 33.849 16.199 -13.127 1.00 76.03 C ATOM 859 CG GLU A 86 34.572 17.093 -14.119 1.00 79.73 C ATOM 860 CD GLU A 86 34.242 16.758 -15.569 1.00 85.76 C ATOM 861 OE1 GLU A 86 34.306 15.564 -15.935 1.00 86.41 O ATOM 862 OE2 GLU A 86 33.917 17.689 -16.347 1.00 89.66 O ATOM 863 H GLU A 86 35.731 15.502 -11.180 1.00 0.00 H ATOM 864 N VAL A 87 31.891 16.608 -10.436 1.00 73.46 N ATOM 865 CA VAL A 87 30.852 16.040 -9.593 1.00 77.65 C ATOM 866 C VAL A 87 29.537 16.083 -10.371 1.00 84.17 C ATOM 867 O VAL A 87 29.010 17.170 -10.674 1.00 80.22 O ATOM 868 CB VAL A 87 30.755 16.766 -8.248 1.00 75.07 C ATOM 869 CG1 VAL A 87 29.616 16.220 -7.443 1.00 73.94 C ATOM 870 CG2 VAL A 87 32.025 16.553 -7.487 1.00 73.45 C ATOM 871 H VAL A 87 31.783 17.586 -10.772 1.00 0.00 H ATOM 872 N TYR A 88 29.030 14.892 -10.720 1.00 84.84 N ATOM 873 CA TYR A 88 27.815 14.728 -11.504 1.00 86.29 C ATOM 874 C TYR A 88 26.632 14.522 -10.555 1.00 84.35 C ATOM 875 O TYR A 88 26.755 13.794 -9.570 1.00 86.08 O ATOM 876 CB TYR A 88 27.964 13.525 -12.455 1.00 82.26 C ATOM 877 CG TYR A 88 28.884 13.702 -13.683 1.00 83.44 C ATOM 878 CD1 TYR A 88 30.280 13.798 -13.560 1.00 84.25 C ATOM 879 CD2 TYR A 88 28.349 13.739 -14.973 1.00 81.40 C ATOM 880 CE1 TYR A 88 31.114 13.956 -14.709 1.00 79.83 C ATOM 881 CE2 TYR A 88 29.159 13.885 -16.113 1.00 83.52 C ATOM 882 CZ TYR A 88 30.538 13.988 -15.975 1.00 85.33 C ATOM 883 OH TYR A 88 31.298 14.142 -17.115 1.00 83.50 O ATOM 884 HH TYR A 88 32.255 14.201 -16.867 1.00 0.00 H ATOM 885 H TYR A 88 29.534 14.036 -10.413 1.00 0.00 H ATOM 886 N PHE A 89 25.489 15.148 -10.843 1.00 82.06 N ATOM 887 CA PHE A 89 24.334 15.059 -9.950 1.00 86.03 C ATOM 888 C PHE A 89 23.206 14.200 -10.516 1.00 85.27 C ATOM 889 O PHE A 89 22.949 14.208 -11.723 1.00 88.40 O ATOM 890 CB PHE A 89 23.765 16.451 -9.633 1.00 87.64 C ATOM 891 CG PHE A 89 24.756 17.354 -9.011 1.00 81.99 C ATOM 892 CD1 PHE A 89 25.211 17.114 -7.723 1.00 82.09 C ATOM 893 CD2 PHE A 89 25.278 18.407 -9.720 1.00 79.55 C ATOM 894 CE1 PHE A 89 26.153 17.930 -7.137 1.00 74.16 C ATOM 895 CE2 PHE A 89 26.230 19.229 -9.138 1.00 81.00 C ATOM 896 CZ PHE A 89 26.671 18.988 -7.846 1.00 76.08 C ATOM 897 H PHE A 89 25.418 15.708 -11.716 1.00 0.00 H ATOM 898 N LYS A 90 22.508 13.484 -9.615 1.00 85.39 N ATOM 899 CA LYS A 90 21.314 12.685 -9.917 1.00 77.00 C ATOM 900 C LYS A 90 20.166 13.636 -10.247 1.00 86.17 C ATOM 901 O LYS A 90 19.262 13.900 -9.450 1.00 86.73 O ATOM 902 CB LYS A 90 20.972 11.782 -8.741 1.00 73.05 C ATOM 903 CG LYS A 90 21.859 10.528 -8.653 1.00 79.15 C ATOM 904 CD LYS A 90 21.792 9.861 -7.279 1.00 76.68 C ATOM 905 CE LYS A 90 22.461 8.493 -7.306 1.00 76.38 C ATOM 906 NZ LYS A 90 22.215 7.705 -6.072 1.00 75.92 N ATOM 907 HZ1 LYS A 90 22.587 8.224 -5.251 1.00 0.00 H ATOM 908 HZ2 LYS A 90 21.192 7.556 -5.955 1.00 0.00 H ATOM 909 HZ3 LYS A 90 22.694 6.785 -6.148 1.00 0.00 H ATOM 910 H LYS A 90 22.840 13.498 -8.629 1.00 0.00 H ATOM 911 N ASN A 91 20.197 14.148 -11.470 1.00 84.05 N ATOM 912 CA ASN A 91 19.593 15.431 -11.765 1.00 90.84 C ATOM 913 C ASN A 91 19.101 15.436 -13.200 1.00 95.25 C ATOM 914 O ASN A 91 19.709 14.822 -14.082 1.00 96.39 O ATOM 915 CB ASN A 91 20.628 16.549 -11.535 1.00 97.72 C ATOM 916 CG ASN A 91 20.074 17.927 -11.790 1.00 97.18 C ATOM 917 OD1 ASN A 91 18.853 18.137 -11.770 1.00 98.59 O ATOM 918 ND2 ASN A 91 20.971 18.888 -11.995 1.00 94.23 N ATOM 919 HD22 ASN A 91 21.986 18.659 -12.002 1.00 0.00 H ATOM 920 HD21 ASN A 91 20.658 19.868 -12.148 1.00 0.00 H ATOM 921 H ASN A 91 20.664 13.618 -12.233 1.00 0.00 H ATOM 922 N LYS A 92 17.998 16.152 -13.420 1.00 99.86 N ATOM 923 CA LYS A 92 17.366 16.262 -14.732 1.00102.32 C ATOM 924 C LYS A 92 17.942 17.418 -15.544 1.00104.41 C ATOM 925 O LYS A 92 18.420 17.219 -16.665 1.00109.05 O ATOM 926 CB LYS A 92 15.852 16.437 -14.567 1.00103.15 C ATOM 927 CG LYS A 92 15.236 15.392 -13.660 1.00111.14 C ATOM 928 CD LYS A 92 13.717 15.332 -13.782 1.00112.63 C ATOM 929 CE LYS A 92 13.198 14.017 -13.204 1.00115.97 C ATOM 930 NZ LYS A 92 11.721 13.921 -13.219 1.00123.77 N ATOM 931 HZ1 LYS A 92 11.319 14.696 -12.654 1.00 0.00 H ATOM 932 HZ2 LYS A 92 11.380 13.992 -14.199 1.00 0.00 H ATOM 933 HZ3 LYS A 92 11.430 13.008 -12.815 1.00 0.00 H ATOM 934 H LYS A 92 17.567 16.656 -12.619 1.00 0.00 H ATOM 935 N GLU A 93 17.897 18.629 -14.995 1.00100.99 N ATOM 936 CA GLU A 93 18.280 19.803 -15.756 1.00107.76 C ATOM 937 C GLU A 93 19.644 20.339 -15.317 1.00103.05 C ATOM 938 O GLU A 93 20.334 19.765 -14.468 1.00 99.51 O ATOM 939 CB GLU A 93 17.205 20.878 -15.633 1.00112.72 C ATOM 940 CG GLU A 93 15.894 20.529 -16.303 1.00121.61 C ATOM 941 CD GLU A 93 14.863 21.630 -16.126 1.00134.56 C ATOM 942 OE1 GLU A 93 15.094 22.522 -15.274 1.00128.30 O ATOM 943 OE2 GLU A 93 13.844 21.612 -16.853 1.00144.41 O ATOM 944 H GLU A 93 17.584 18.735 -14.009 1.00 0.00 H ATOM 945 N GLU A 94 20.037 21.452 -15.935 1.00 97.22 N ATOM 946 CA GLU A 94 21.267 22.135 -15.591 1.00 97.36 C ATOM 947 C GLU A 94 21.173 22.598 -14.141 1.00101.15 C ATOM 948 O GLU A 94 20.084 22.891 -13.664 1.00104.94 O ATOM 949 CB GLU A 94 21.520 23.322 -16.533 1.00 98.48 C ATOM 950 CG GLU A 94 21.990 22.919 -17.928 1.00 97.78 C ATOM 951 CD GLU A 94 23.320 22.152 -17.921 1.00108.63 C ATOM 952 OE1 GLU A 94 24.394 22.797 -17.782 1.00108.71 O ATOM 953 OE2 GLU A 94 23.287 20.902 -18.063 1.00104.30 O ATOM 954 H GLU A 94 19.440 21.844 -16.691 1.00 0.00 H ATOM 955 N PRO A 95 22.312 22.643 -13.431 1.00 97.93 N ATOM 956 CA PRO A 95 23.585 22.143 -13.946 1.00 94.09 C ATOM 957 C PRO A 95 23.683 20.654 -13.680 1.00 90.17 C ATOM 958 O PRO A 95 23.268 20.226 -12.603 1.00 87.40 O ATOM 959 CB PRO A 95 24.622 22.946 -13.160 1.00 91.13 C ATOM 960 CG PRO A 95 23.968 23.200 -11.846 1.00 94.57 C ATOM 961 CD PRO A 95 22.464 23.258 -12.094 1.00 96.61 C ATOM 962 N ARG A 96 24.183 19.890 -14.651 1.00 90.09 N ATOM 963 CA ARG A 96 24.268 18.436 -14.513 1.00 93.85 C ATOM 964 C ARG A 96 25.504 17.988 -13.728 1.00 90.46 C ATOM 965 O ARG A 96 25.446 16.991 -12.992 1.00 86.64 O ATOM 966 CB ARG A 96 24.260 17.786 -15.902 1.00 95.51 C ATOM 967 CG ARG A 96 22.887 17.391 -16.397 1.00101.03 C ATOM 968 CD ARG A 96 22.416 16.116 -15.718 1.00100.07 C ATOM 969 NE ARG A 96 21.671 15.242 -16.628 1.00107.29 N ATOM 970 CZ ARG A 96 22.227 14.345 -17.446 1.00113.44 C ATOM 971 NH1 ARG A 96 23.551 14.189 -17.479 1.00114.38 N ATOM 972 NH2 ARG A 96 21.454 13.594 -18.227 1.00116.60 N ATOM 973 HE ARG A 96 20.634 15.326 -16.637 1.00 0.00 H ATOM 974 HH12 ARG A 96 23.976 13.488 -18.119 1.00 0.00 H ATOM 975 HH11 ARG A 96 24.158 14.768 -16.865 1.00 0.00 H ATOM 976 HH22 ARG A 96 21.883 12.894 -18.865 1.00 0.00 H ATOM 977 HH21 ARG A 96 20.421 13.707 -18.199 1.00 0.00 H ATOM 978 H ARG A 96 24.520 20.338 -15.527 1.00 0.00 H ATOM 979 N LYS A 97 26.617 18.714 -13.863 1.00 87.45 N ATOM 980 CA LYS A 97 27.843 18.465 -13.113 1.00 85.59 C ATOM 981 C LYS A 97 28.429 19.813 -12.729 1.00 86.72 C ATOM 982 O LYS A 97 27.918 20.860 -13.135 1.00 89.17 O ATOM 983 CB LYS A 97 28.855 17.646 -13.938 1.00 83.90 C ATOM 984 CG LYS A 97 29.320 18.357 -15.212 1.00 83.31 C ATOM 985 CD LYS A 97 30.061 17.406 -16.179 1.00 84.51 C ATOM 986 CE LYS A 97 30.510 18.114 -17.463 1.00 82.61 C ATOM 987 NZ LYS A 97 31.473 17.274 -18.256 1.00 78.68 N ATOM 988 HZ1 LYS A 97 32.316 17.077 -17.679 1.00 0.00 H ATOM 989 HZ2 LYS A 97 31.014 16.378 -18.519 1.00 0.00 H ATOM 990 HZ3 LYS A 97 31.752 17.788 -19.116 1.00 0.00 H ATOM 991 H LYS A 97 26.609 19.502 -14.542 1.00 0.00 H ATOM 992 N VAL A 98 29.508 19.790 -11.938 1.00 85.88 N ATOM 993 CA VAL A 98 30.332 20.979 -11.717 1.00 79.12 C ATOM 994 C VAL A 98 31.776 20.535 -11.516 1.00 77.66 C ATOM 995 O VAL A 98 32.045 19.455 -10.979 1.00 78.65 O ATOM 996 CB VAL A 98 29.837 21.838 -10.529 1.00 76.90 C ATOM 997 CG1 VAL A 98 29.856 21.040 -9.259 1.00 74.83 C ATOM 998 CG2 VAL A 98 30.660 23.148 -10.415 1.00 71.50 C ATOM 999 H VAL A 98 29.769 18.901 -11.466 1.00 0.00 H ATOM 1000 N ARG A 99 32.702 21.390 -11.959 1.00 76.08 N ATOM 1001 CA ARG A 99 34.130 21.122 -12.034 1.00 75.74 C ATOM 1002 C ARG A 99 34.887 22.048 -11.093 1.00 78.78 C ATOM 1003 O ARG A 99 34.688 23.270 -11.118 1.00 79.97 O ATOM 1004 CB ARG A 99 34.653 21.307 -13.471 1.00 80.71 C ATOM 1005 CG ARG A 99 36.175 21.568 -13.555 1.00 84.96 C ATOM 1006 CD ARG A 99 36.752 21.458 -14.970 1.00 86.11 C ATOM 1007 NE ARG A 99 36.752 20.077 -15.460 1.00 90.71 N ATOM 1008 CZ ARG A 99 37.709 19.550 -16.229 1.00 91.68 C ATOM 1009 NH1 ARG A 99 38.768 20.288 -16.575 1.00 96.66 N ATOM 1010 NH2 ARG A 99 37.620 18.282 -16.630 1.00 90.09 N ATOM 1011 HE ARG A 99 35.954 19.467 -15.191 1.00 0.00 H ATOM 1012 HH12 ARG A 99 39.514 19.879 -17.174 1.00 0.00 H ATOM 1013 HH11 ARG A 99 38.846 21.271 -16.246 1.00 0.00 H ATOM 1014 HH22 ARG A 99 38.365 17.872 -17.229 1.00 0.00 H ATOM 1015 HH21 ARG A 99 36.805 17.702 -16.344 1.00 0.00 H ATOM 1016 H ARG A 99 32.375 22.325 -12.277 1.00 0.00 H ATOM 1017 N PHE A 100 35.782 21.466 -10.293 1.00 79.54 N ATOM 1018 CA PHE A 100 36.709 22.216 -9.462 1.00 73.70 C ATOM 1019 C PHE A 100 38.137 21.952 -9.910 1.00 75.71 C ATOM 1020 O PHE A 100 38.452 20.891 -10.438 1.00 85.07 O ATOM 1021 CB PHE A 100 36.576 21.833 -7.990 1.00 75.54 C ATOM 1022 CG PHE A 100 35.197 21.978 -7.462 1.00 74.94 C ATOM 1023 CD1 PHE A 100 34.720 23.230 -7.072 1.00 77.80 C ATOM 1024 CD2 PHE A 100 34.353 20.875 -7.384 1.00 70.11 C ATOM 1025 CE1 PHE A 100 33.415 23.381 -6.595 1.00 75.52 C ATOM 1026 CE2 PHE A 100 33.045 21.014 -6.915 1.00 72.43 C ATOM 1027 CZ PHE A 100 32.571 22.269 -6.509 1.00 72.86 C ATOM 1028 H PHE A 100 35.818 20.427 -10.263 1.00 0.00 H ATOM 1029 N ASP A 101 39.008 22.913 -9.688 1.00 78.35 N ATOM 1030 CA ASP A 101 40.445 22.699 -9.805 1.00 76.27 C ATOM 1031 C ASP A 101 40.980 22.505 -8.389 1.00 72.40 C ATOM 1032 O ASP A 101 41.043 23.460 -7.603 1.00 69.72 O ATOM 1033 CB ASP A 101 41.127 23.874 -10.510 1.00 75.12 C ATOM 1034 CG ASP A 101 40.711 24.004 -11.958 1.00 79.64 C ATOM 1035 OD1 ASP A 101 40.772 23.002 -12.701 1.00 86.87 O ATOM 1036 OD2 ASP A 101 40.311 25.113 -12.361 1.00 84.45 O ATOM 1037 H ASP A 101 38.660 23.856 -9.420 1.00 0.00 H ATOM 1038 N TYR A 102 41.304 21.265 -8.037 1.00 71.24 N ATOM 1039 CA TYR A 102 41.809 20.977 -6.697 1.00 69.40 C ATOM 1040 C TYR A 102 43.330 20.997 -6.709 1.00 68.87 C ATOM 1041 O TYR A 102 43.955 20.397 -7.580 1.00 70.60 O ATOM 1042 CB TYR A 102 41.320 19.617 -6.181 1.00 69.45 C ATOM 1043 CG TYR A 102 41.742 19.408 -4.748 1.00 66.85 C ATOM 1044 CD1 TYR A 102 40.982 19.911 -3.710 1.00 63.69 C ATOM 1045 CD2 TYR A 102 42.944 18.787 -4.434 1.00 63.47 C ATOM 1046 CE1 TYR A 102 41.377 19.763 -2.397 1.00 66.65 C ATOM 1047 CE2 TYR A 102 43.347 18.640 -3.118 1.00 62.66 C ATOM 1048 CZ TYR A 102 42.562 19.125 -2.111 1.00 65.19 C ATOM 1049 OH TYR A 102 42.971 18.979 -0.813 1.00 66.22 O ATOM 1050 HH TYR A 102 43.841 19.436 -0.689 1.00 0.00 H ATOM 1051 H TYR A 102 41.197 20.491 -8.723 1.00 0.00 H ATOM 1052 N ASP A 103 43.934 21.692 -5.750 1.00 68.73 N ATOM 1053 CA ASP A 103 45.393 21.805 -5.726 1.00 67.21 C ATOM 1054 C ASP A 103 45.979 20.674 -4.889 1.00 68.90 C ATOM 1055 O ASP A 103 46.015 20.747 -3.653 1.00 65.63 O ATOM 1056 CB ASP A 103 45.826 23.155 -5.189 1.00 66.94 C ATOM 1057 CG ASP A 103 47.323 23.385 -5.312 1.00 68.25 C ATOM 1058 OD1 ASP A 103 48.074 22.445 -5.671 1.00 64.95 O ATOM 1059 OD2 ASP A 103 47.737 24.528 -5.058 1.00 74.48 O ATOM 1060 H ASP A 103 43.367 22.158 -5.013 1.00 0.00 H ATOM 1061 N LEU A 104 46.492 19.644 -5.571 1.00 70.29 N ATOM 1062 CA LEU A 104 47.073 18.503 -4.875 1.00 69.24 C ATOM 1063 C LEU A 104 48.551 18.764 -4.681 1.00 68.99 C ATOM 1064 O LEU A 104 49.389 18.426 -5.535 1.00 66.79 O ATOM 1065 CB LEU A 104 46.841 17.208 -5.636 1.00 66.16 C ATOM 1066 CG LEU A 104 47.089 16.060 -4.653 1.00 72.36 C ATOM 1067 CD1 LEU A 104 45.976 15.026 -4.753 1.00 64.75 C ATOM 1068 CD2 LEU A 104 48.456 15.413 -4.848 1.00 72.14 C ATOM 1069 H LEU A 104 46.476 19.658 -6.611 1.00 0.00 H ATOM 1070 N PHE A 105 48.880 19.350 -3.538 1.00 68.73 N ATOM 1071 CA PHE A 105 50.267 19.670 -3.249 1.00 68.05 C ATOM 1072 C PHE A 105 50.855 18.700 -2.236 1.00 69.63 C ATOM 1073 O PHE A 105 50.131 18.072 -1.456 1.00 75.68 O ATOM 1074 CB PHE A 105 50.403 21.107 -2.754 1.00 70.39 C ATOM 1075 CG PHE A 105 49.678 21.404 -1.467 1.00 66.87 C ATOM 1076 CD1 PHE A 105 50.267 21.145 -0.241 1.00 69.26 C ATOM 1077 CD2 PHE A 105 48.418 21.985 -1.484 1.00 66.82 C ATOM 1078 CE1 PHE A 105 49.603 21.442 0.929 1.00 72.70 C ATOM 1079 CE2 PHE A 105 47.757 22.285 -0.315 1.00 61.09 C ATOM 1080 CZ PHE A 105 48.341 22.015 0.889 1.00 64.21 C ATOM 1081 H PHE A 105 48.141 19.582 -2.844 1.00 0.00 H ATOM 1082 N LEU A 106 52.178 18.590 -2.251 1.00 69.25 N ATOM 1083 CA LEU A 106 52.922 17.719 -1.346 1.00 71.67 C ATOM 1084 C LEU A 106 53.897 18.553 -0.520 1.00 77.02 C ATOM 1085 O LEU A 106 54.417 19.567 -0.997 1.00 77.78 O ATOM 1086 CB LEU A 106 53.695 16.625 -2.136 1.00 69.75 C ATOM 1087 CG LEU A 106 53.021 16.064 -3.404 1.00 65.18 C ATOM 1088 CD1 LEU A 106 53.897 15.188 -4.269 1.00 64.75 C ATOM 1089 CD2 LEU A 106 51.798 15.299 -2.967 1.00 67.92 C ATOM 1090 H LEU A 106 52.712 19.153 -2.943 1.00 0.00 H ATOM 1091 N HIS A 107 54.161 18.115 0.717 1.00 79.19 N ATOM 1092 CA HIS A 107 55.194 18.727 1.553 1.00 82.34 C ATOM 1093 C HIS A 107 56.524 17.968 1.456 1.00 79.38 C ATOM 1094 O HIS A 107 56.576 16.786 1.108 1.00 79.19 O ATOM 1095 CB HIS A 107 54.752 18.782 3.014 1.00 84.15 C ATOM 1096 CG HIS A 107 53.864 19.937 3.341 1.00 84.19 C ATOM 1097 ND1 HIS A 107 53.492 20.887 2.412 1.00 86.35 N ATOM 1098 CD2 HIS A 107 53.278 20.297 4.505 1.00 84.31 C ATOM 1099 CE1 HIS A 107 52.707 21.779 2.989 1.00 84.03 C ATOM 1100 NE2 HIS A 107 52.563 21.445 4.259 1.00 89.85 N ATOM 1101 H HIS A 107 53.615 17.315 1.096 1.00 0.00 H ATOM 1102 N LEU A 108 57.605 18.661 1.795 1.00 78.80 N ATOM 1103 CA LEU A 108 58.928 18.056 1.723 1.00 81.86 C ATOM 1104 C LEU A 108 59.251 17.273 2.993 1.00 86.47 C ATOM 1105 O LEU A 108 58.617 17.432 4.043 1.00 86.76 O ATOM 1106 CB LEU A 108 60.008 19.112 1.514 1.00 82.92 C ATOM 1107 CG LEU A 108 59.974 20.038 0.303 1.00 80.87 C ATOM 1108 CD1 LEU A 108 60.562 21.369 0.728 1.00 75.68 C ATOM 1109 CD2 LEU A 108 60.755 19.463 -0.867 1.00 80.40 C ATOM 1110 H LEU A 108 57.506 19.646 2.115 1.00 0.00 H ATOM 1111 N GLU A 109 60.288 16.436 2.877 1.00 96.94 N ATOM 1112 CA GLU A 109 60.765 15.613 3.985 1.00 95.12 C ATOM 1113 C GLU A 109 61.116 16.457 5.209 1.00 95.09 C ATOM 1114 O GLU A 109 61.630 17.578 5.099 1.00 91.30 O ATOM 1115 CB GLU A 109 61.998 14.821 3.568 1.00 88.23 C ATOM 1116 CG GLU A 109 61.737 13.580 2.761 1.00 93.87 C ATOM 1117 CD GLU A 109 62.960 12.697 2.669 1.00104.51 C ATOM 1118 OE1 GLU A 109 64.089 13.222 2.826 1.00106.97 O ATOM 1119 OE2 GLU A 109 62.802 11.477 2.446 1.00 98.09 O ATOM 1120 H GLU A 109 60.774 16.369 1.960 1.00 0.00 H ATOM 1121 N GLY A 110 60.860 15.882 6.391 1.00 91.07 N ATOM 1122 CA GLY A 110 61.071 16.574 7.651 1.00 95.95 C ATOM 1123 C GLY A 110 59.992 17.575 8.027 1.00 94.79 C ATOM 1124 O GLY A 110 60.062 18.152 9.124 1.00 94.79 O ATOM 1125 H GLY A 110 60.498 14.907 6.408 1.00 0.00 H ATOM 1126 N HIS A 111 59.015 17.808 7.167 1.00 92.35 N ATOM 1127 CA HIS A 111 57.877 18.637 7.512 1.00 91.43 C ATOM 1128 C HIS A 111 56.652 17.765 7.722 1.00 88.24 C ATOM 1129 O HIS A 111 56.571 16.673 7.151 1.00 87.31 O ATOM 1130 CB HIS A 111 57.592 19.656 6.414 1.00 92.22 C ATOM 1131 CG HIS A 111 58.640 20.708 6.299 1.00 95.49 C ATOM 1132 ND1 HIS A 111 58.403 22.031 6.604 1.00 99.07 N ATOM 1133 CD2 HIS A 111 59.935 20.632 5.919 1.00 96.30 C ATOM 1134 CE1 HIS A 111 59.510 22.725 6.414 1.00101.29 C ATOM 1135 NE2 HIS A 111 60.455 21.899 5.997 1.00 96.62 N ATOM 1136 H HIS A 111 59.064 17.385 6.218 1.00 0.00 H ATOM 1137 N PRO A 112 55.697 18.201 8.542 1.00 86.07 N ATOM 1138 CA PRO A 112 54.504 17.380 8.803 1.00 84.62 C ATOM 1139 C PRO A 112 53.893 16.890 7.505 1.00 83.14 C ATOM 1140 O PRO A 112 54.175 17.434 6.427 1.00 87.16 O ATOM 1141 CB PRO A 112 53.560 18.349 9.535 1.00 86.88 C ATOM 1142 CG PRO A 112 54.481 19.354 10.190 1.00 87.87 C ATOM 1143 CD PRO A 112 55.688 19.472 9.294 1.00 89.35 C ATOM 1144 N PRO A 113 53.094 15.833 7.549 1.00 78.50 N ATOM 1145 CA PRO A 113 52.325 15.451 6.360 1.00 81.52 C ATOM 1146 C PRO A 113 51.255 16.501 6.073 1.00 85.93 C ATOM 1147 O PRO A 113 51.026 17.438 6.850 1.00 84.20 O ATOM 1148 CB PRO A 113 51.692 14.099 6.724 1.00 79.38 C ATOM 1149 CG PRO A 113 52.253 13.719 8.081 1.00 79.56 C ATOM 1150 CD PRO A 113 52.770 14.994 8.711 1.00 83.57 C ATOM 1151 N VAL A 114 50.574 16.321 4.935 1.00 84.20 N ATOM 1152 CA VAL A 114 49.578 17.276 4.450 1.00 78.03 C ATOM 1153 C VAL A 114 48.190 16.776 4.786 1.00 78.51 C ATOM 1154 O VAL A 114 47.812 15.658 4.403 1.00 82.00 O ATOM 1155 CB VAL A 114 49.696 17.510 2.936 1.00 78.56 C ATOM 1156 CG1 VAL A 114 48.587 18.469 2.471 1.00 71.17 C ATOM 1157 CG2 VAL A 114 51.064 18.070 2.589 1.00 80.86 C ATOM 1158 H VAL A 114 50.761 15.467 4.372 1.00 0.00 H ATOM 1159 N ASN A 115 47.399 17.629 5.449 1.00 74.69 N ATOM 1160 CA ASN A 115 46.015 17.293 5.794 1.00 80.65 C ATOM 1161 C ASN A 115 45.150 18.508 5.430 1.00 79.54 C ATOM 1162 O ASN A 115 44.861 19.363 6.267 1.00 82.20 O ATOM 1163 CB ASN A 115 45.896 16.892 7.275 1.00 75.52 C ATOM 1164 CG ASN A 115 44.533 16.327 7.618 1.00 83.33 C ATOM 1165 OD1 ASN A 115 43.521 16.851 7.150 1.00 81.44 O ATOM 1166 ND2 ASN A 115 44.490 15.276 8.444 1.00 86.92 N ATOM 1167 HD22 ASN A 115 45.373 14.868 8.813 1.00 0.00 H ATOM 1168 HD21 ASN A 115 43.574 14.866 8.717 1.00 0.00 H ATOM 1169 H ASN A 115 47.778 18.557 5.727 1.00 0.00 H ATOM 1170 N HIS A 116 44.731 18.577 4.171 1.00 73.38 N ATOM 1171 CA HIS A 116 44.035 19.748 3.667 1.00 70.52 C ATOM 1172 C HIS A 116 42.557 19.460 3.418 1.00 75.46 C ATOM 1173 O HIS A 116 42.193 18.436 2.819 1.00 73.02 O ATOM 1174 CB HIS A 116 44.661 20.275 2.377 1.00 69.05 C ATOM 1175 CG HIS A 116 44.202 21.656 2.030 1.00 73.94 C ATOM 1176 ND1 HIS A 116 43.415 21.936 0.931 1.00 71.07 N ATOM 1177 CD2 HIS A 116 44.373 22.832 2.677 1.00 67.83 C ATOM 1178 CE1 HIS A 116 43.158 23.231 0.897 1.00 68.01 C ATOM 1179 NE2 HIS A 116 43.727 23.797 1.946 1.00 68.02 N ATOM 1180 H HIS A 116 44.905 17.775 3.532 1.00 0.00 H ATOM 1181 N LEU A 117 41.715 20.389 3.864 1.00 71.92 N ATOM 1182 CA LEU A 117 40.270 20.254 3.803 1.00 70.57 C ATOM 1183 C LEU A 117 39.726 21.535 3.194 1.00 72.29 C ATOM 1184 O LEU A 117 40.069 22.628 3.651 1.00 73.48 O ATOM 1185 CB LEU A 117 39.695 20.015 5.194 1.00 64.41 C ATOM 1186 CG LEU A 117 38.191 19.797 5.241 1.00 69.58 C ATOM 1187 CD1 LEU A 117 37.787 18.498 4.518 1.00 68.46 C ATOM 1188 CD2 LEU A 117 37.729 19.803 6.688 1.00 72.64 C ATOM 1189 H LEU A 117 42.112 21.257 4.278 1.00 0.00 H ATOM 1190 N ARG A 118 38.907 21.409 2.156 1.00 68.96 N ATOM 1191 CA ARG A 118 38.402 22.547 1.403 1.00 69.20 C ATOM 1192 C ARG A 118 36.889 22.434 1.327 1.00 71.97 C ATOM 1193 O ARG A 118 36.354 21.365 1.014 1.00 71.69 O ATOM 1194 CB ARG A 118 39.020 22.593 -0.001 1.00 68.50 C ATOM 1195 CG ARG A 118 38.295 23.435 -1.022 1.00 63.87 C ATOM 1196 CD ARG A 118 39.088 23.508 -2.324 1.00 64.70 C ATOM 1197 NE ARG A 118 38.291 24.092 -3.400 1.00 72.02 N ATOM 1198 CZ ARG A 118 38.683 24.225 -4.667 1.00 69.49 C ATOM 1199 NH1 ARG A 118 39.875 23.801 -5.058 1.00 65.91 N ATOM 1200 NH2 ARG A 118 37.858 24.758 -5.560 1.00 68.61 N ATOM 1201 HE ARG A 118 37.339 24.432 -3.157 1.00 0.00 H ATOM 1202 HH12 ARG A 118 40.167 23.912 -6.050 1.00 0.00 H ATOM 1203 HH11 ARG A 118 40.520 23.357 -4.373 1.00 0.00 H ATOM 1204 HH22 ARG A 118 38.160 24.863 -6.549 1.00 0.00 H ATOM 1205 HH21 ARG A 118 36.909 25.070 -5.270 1.00 0.00 H ATOM 1206 H ARG A 118 38.613 20.454 1.868 1.00 0.00 H ATOM 1207 N CYS A 119 36.194 23.515 1.631 1.00 70.27 N ATOM 1208 CA CYS A 119 34.749 23.481 1.653 1.00 70.76 C ATOM 1209 C CYS A 119 34.236 24.244 0.450 1.00 73.44 C ATOM 1210 O CYS A 119 34.648 25.383 0.210 1.00 74.79 O ATOM 1211 CB CYS A 119 34.197 24.072 2.948 1.00 71.99 C ATOM 1212 SG CYS A 119 32.411 23.983 3.030 1.00 84.35 S ATOM 1213 H CYS A 119 36.691 24.400 1.857 1.00 0.00 H ATOM 1214 N GLU A 120 33.374 23.605 -0.326 1.00 68.32 N ATOM 1215 CA GLU A 120 32.724 24.240 -1.456 1.00 68.18 C ATOM 1216 C GLU A 120 31.224 24.206 -1.212 1.00 72.34 C ATOM 1217 O GLU A 120 30.695 23.223 -0.692 1.00 71.02 O ATOM 1218 CB GLU A 120 33.082 23.530 -2.765 1.00 67.24 C ATOM 1219 CG GLU A 120 34.431 23.904 -3.334 1.00 69.13 C ATOM 1220 CD GLU A 120 34.441 25.242 -4.073 1.00 70.82 C ATOM 1221 OE1 GLU A 120 33.429 25.979 -4.040 1.00 72.21 O ATOM 1222 OE2 GLU A 120 35.481 25.539 -4.692 1.00 75.24 O ATOM 1223 H GLU A 120 33.155 22.610 -0.117 1.00 0.00 H ATOM 1224 N LYS A 121 30.533 25.277 -1.575 1.00 72.07 N ATOM 1225 CA LYS A 121 29.113 25.381 -1.291 1.00 71.36 C ATOM 1226 C LYS A 121 28.370 25.715 -2.577 1.00 73.63 C ATOM 1227 O LYS A 121 28.758 26.627 -3.309 1.00 73.20 O ATOM 1228 CB LYS A 121 28.873 26.410 -0.201 1.00 71.27 C ATOM 1229 CG LYS A 121 27.481 26.385 0.360 1.00 75.50 C ATOM 1230 CD LYS A 121 27.246 27.580 1.282 1.00 80.98 C ATOM 1231 CE LYS A 121 27.299 28.920 0.531 1.00 77.62 C ATOM 1232 NZ LYS A 121 26.245 29.005 -0.531 1.00 77.88 N ATOM 1233 HZ1 LYS A 121 26.386 28.238 -1.220 1.00 0.00 H ATOM 1234 HZ2 LYS A 121 25.306 28.912 -0.094 1.00 0.00 H ATOM 1235 HZ3 LYS A 121 26.314 29.923 -1.014 1.00 0.00 H ATOM 1236 H LYS A 121 31.015 26.054 -2.070 1.00 0.00 H ATOM 1237 N LEU A 122 27.328 24.945 -2.867 1.00 76.05 N ATOM 1238 CA LEU A 122 26.547 25.099 -4.086 1.00 77.77 C ATOM 1239 C LEU A 122 25.087 25.355 -3.761 1.00 76.48 C ATOM 1240 O LEU A 122 24.564 24.872 -2.751 1.00 76.81 O ATOM 1241 CB LEU A 122 26.646 23.863 -4.961 1.00 80.25 C ATOM 1242 CG LEU A 122 27.919 23.863 -5.801 1.00 77.82 C ATOM 1243 CD1 LEU A 122 28.202 22.455 -6.276 1.00 78.56 C ATOM 1244 CD2 LEU A 122 27.803 24.831 -6.974 1.00 79.29 C ATOM 1245 H LEU A 122 27.058 24.199 -2.194 1.00 0.00 H ATOM 1246 N THR A 123 24.439 26.121 -4.632 1.00 76.03 N ATOM 1247 CA THR A 123 23.030 26.456 -4.480 1.00 80.21 C ATOM 1248 C THR A 123 22.247 25.953 -5.682 1.00 79.54 C ATOM 1249 O THR A 123 22.567 26.308 -6.823 1.00 77.38 O ATOM 1250 CB THR A 123 22.845 27.965 -4.331 1.00 83.40 C ATOM 1251 OG1 THR A 123 23.844 28.493 -3.442 1.00 76.19 O ATOM 1252 CG2 THR A 123 21.435 28.282 -3.811 1.00 80.16 C ATOM 1253 HG1 THR A 123 23.719 29.471 -3.350 1.00 0.00 H ATOM 1254 H THR A 123 24.957 26.495 -5.453 1.00 0.00 H ATOM 1255 N PHE A 124 21.223 25.138 -5.420 1.00 81.91 N ATOM 1256 CA PHE A 124 20.213 24.757 -6.407 1.00 81.34 C ATOM 1257 C PHE A 124 18.921 25.524 -6.123 1.00 85.52 C ATOM 1258 O PHE A 124 18.217 25.230 -5.140 1.00 78.60 O ATOM 1259 CB PHE A 124 19.966 23.254 -6.389 1.00 81.35 C ATOM 1260 CG PHE A 124 21.142 22.451 -6.821 1.00 82.21 C ATOM 1261 CD1 PHE A 124 21.487 22.377 -8.156 1.00 82.15 C ATOM 1262 CD2 PHE A 124 21.912 21.762 -5.889 1.00 80.43 C ATOM 1263 CE1 PHE A 124 22.593 21.631 -8.547 1.00 82.09 C ATOM 1264 CE2 PHE A 124 23.001 21.021 -6.280 1.00 72.49 C ATOM 1265 CZ PHE A 124 23.346 20.953 -7.608 1.00 72.00 C ATOM 1266 H PHE A 124 21.138 24.751 -4.458 1.00 0.00 H ATOM 1267 N ASN A 125 18.624 26.493 -7.009 1.00 86.55 N ATOM 1268 CA ASN A 125 17.435 27.351 -6.966 1.00 81.64 C ATOM 1269 C ASN A 125 16.235 26.641 -7.596 1.00 84.80 C ATOM 1270 O ASN A 125 16.196 26.435 -8.815 1.00 78.54 O ATOM 1271 CB ASN A 125 17.712 28.662 -7.708 1.00 85.50 C ATOM 1272 CG ASN A 125 16.563 29.681 -7.587 1.00 87.94 C ATOM 1273 OD1 ASN A 125 15.685 29.554 -6.731 1.00 87.74 O ATOM 1274 ND2 ASN A 125 16.580 30.700 -8.450 1.00 84.41 N ATOM 1275 HD22 ASN A 125 17.339 30.770 -9.157 1.00 0.00 H ATOM 1276 HD21 ASN A 125 15.834 31.424 -8.415 1.00 0.00 H ATOM 1277 H ASN A 125 19.294 26.646 -7.790 1.00 0.00 H ATOM 1278 N ASN A 126 15.240 26.317 -6.772 1.00 85.24 N ATOM 1279 CA ASN A 126 13.997 25.699 -7.216 1.00 85.35 C ATOM 1280 C ASN A 126 14.242 24.440 -8.061 1.00 88.10 C ATOM 1281 O ASN A 126 13.845 24.382 -9.226 1.00 88.34 O ATOM 1282 CB ASN A 126 13.128 26.697 -7.968 1.00 84.36 C ATOM 1283 CG ASN A 126 11.751 26.847 -7.324 1.00 90.03 C ATOM 1284 OD1 ASN A 126 11.436 27.881 -6.722 1.00 86.91 O ATOM 1285 ND2 ASN A 126 10.930 25.796 -7.430 1.00 86.36 N ATOM 1286 HD22 ASN A 126 11.237 24.947 -7.946 1.00 0.00 H ATOM 1287 HD21 ASN A 126 9.985 25.828 -6.997 1.00 0.00 H ATOM 1288 H ASN A 126 15.356 26.516 -5.758 1.00 0.00 H ATOM 1289 N PRO A 127 14.874 23.426 -7.488 1.00 83.75 N ATOM 1290 CA PRO A 127 15.129 22.214 -8.265 1.00 85.92 C ATOM 1291 C PRO A 127 13.813 21.553 -8.586 1.00 90.93 C ATOM 1292 O PRO A 127 12.786 21.863 -7.984 1.00 91.90 O ATOM 1293 CB PRO A 127 15.964 21.349 -7.316 1.00 90.10 C ATOM 1294 CG PRO A 127 15.546 21.779 -5.936 1.00 85.70 C ATOM 1295 CD PRO A 127 15.214 23.253 -6.062 1.00 86.16 C ATOM 1296 N THR A 128 13.858 20.593 -9.509 1.00 98.62 N ATOM 1297 CA THR A 128 12.714 19.719 -9.681 1.00 94.51 C ATOM 1298 C THR A 128 12.413 19.048 -8.350 1.00 95.30 C ATOM 1299 O THR A 128 13.276 18.948 -7.466 1.00 93.01 O ATOM 1300 CB THR A 128 12.969 18.656 -10.747 1.00 91.23 C ATOM 1301 OG1 THR A 128 14.062 17.817 -10.340 1.00 96.92 O ATOM 1302 CG2 THR A 128 13.262 19.302 -12.106 1.00 86.83 C ATOM 1303 HG1 THR A 128 14.224 17.129 -11.033 1.00 0.00 H ATOM 1304 H THR A 128 14.705 20.472 -10.100 1.00 0.00 H ATOM 1305 N GLU A 129 11.160 18.605 -8.203 1.00100.39 N ATOM 1306 CA GLU A 129 10.729 17.946 -6.970 1.00 99.34 C ATOM 1307 C GLU A 129 11.538 16.677 -6.696 1.00101.02 C ATOM 1308 O GLU A 129 11.897 16.391 -5.542 1.00 99.66 O ATOM 1309 CB GLU A 129 9.237 17.620 -7.056 1.00103.10 C ATOM 1310 CG GLU A 129 8.643 17.088 -5.762 1.00111.24 C ATOM 1311 CD GLU A 129 7.185 16.641 -5.900 1.00113.90 C ATOM 1312 OE1 GLU A 129 6.736 16.392 -7.040 1.00109.66 O ATOM 1313 OE2 GLU A 129 6.498 16.526 -4.860 1.00111.75 O ATOM 1314 H GLU A 129 10.479 18.731 -8.979 1.00 0.00 H ATOM 1315 N ASP A 130 11.874 15.923 -7.751 1.00101.27 N ATOM 1316 CA ASP A 130 12.612 14.676 -7.556 1.00100.65 C ATOM 1317 C ASP A 130 14.025 14.950 -7.084 1.00100.31 C ATOM 1318 O ASP A 130 14.528 14.280 -6.170 1.00 98.09 O ATOM 1319 CB ASP A 130 12.639 13.854 -8.844 1.00 99.36 C ATOM 1320 CG ASP A 130 11.299 13.832 -9.534 1.00113.64 C ATOM 1321 OD1 ASP A 130 10.340 13.255 -8.962 1.00108.44 O ATOM 1322 OD2 ASP A 130 11.196 14.418 -10.634 1.00119.74 O ATOM 1323 H ASP A 130 11.609 16.225 -8.710 1.00 0.00 H ATOM 1324 N PHE A 131 14.674 15.946 -7.680 1.00 97.47 N ATOM 1325 CA PHE A 131 16.017 16.282 -7.245 1.00 92.16 C ATOM 1326 C PHE A 131 16.013 16.978 -5.893 1.00 92.02 C ATOM 1327 O PHE A 131 17.007 16.907 -5.164 1.00 94.13 O ATOM 1328 CB PHE A 131 16.719 17.150 -8.281 1.00 91.71 C ATOM 1329 CG PHE A 131 18.162 17.343 -7.984 1.00 91.92 C ATOM 1330 CD1 PHE A 131 18.947 16.248 -7.619 1.00 90.91 C ATOM 1331 CD2 PHE A 131 18.740 18.600 -8.050 1.00 87.57 C ATOM 1332 CE1 PHE A 131 20.293 16.401 -7.333 1.00 87.60 C ATOM 1333 CE2 PHE A 131 20.088 18.774 -7.766 1.00 84.58 C ATOM 1334 CZ PHE A 131 20.865 17.675 -7.404 1.00 88.63 C ATOM 1335 H PHE A 131 14.223 16.479 -8.451 1.00 0.00 H ATOM 1336 N ARG A 132 14.922 17.660 -5.539 1.00 94.21 N ATOM 1337 CA ARG A 132 14.838 18.222 -4.195 1.00 93.62 C ATOM 1338 C ARG A 132 14.741 17.108 -3.161 1.00 91.63 C ATOM 1339 O ARG A 132 15.316 17.205 -2.063 1.00 90.50 O ATOM 1340 CB ARG A 132 13.643 19.175 -4.086 1.00 90.51 C ATOM 1341 CG ARG A 132 13.726 20.132 -2.899 1.00 90.66 C ATOM 1342 CD ARG A 132 12.390 20.793 -2.589 1.00 92.76 C ATOM 1343 NE ARG A 132 11.431 19.801 -2.104 1.00 97.80 N ATOM 1344 CZ ARG A 132 10.237 19.578 -2.642 1.00 92.90 C ATOM 1345 NH1 ARG A 132 9.828 20.322 -3.671 1.00 82.60 N ATOM 1346 NH2 ARG A 132 9.445 18.640 -2.113 1.00 91.95 N ATOM 1347 HE ARG A 132 11.703 19.229 -1.279 1.00 0.00 H ATOM 1348 HH12 ARG A 132 8.894 20.152 -4.097 1.00 0.00 H ATOM 1349 HH11 ARG A 132 10.443 21.072 -4.048 1.00 0.00 H ATOM 1350 HH22 ARG A 132 8.508 18.457 -2.526 1.00 0.00 H ATOM 1351 HH21 ARG A 132 9.766 18.093 -1.288 1.00 0.00 H ATOM 1352 H ARG A 132 14.141 17.789 -6.213 1.00 0.00 H ATOM 1353 N ARG A 133 14.027 16.032 -3.512 1.00 94.87 N ATOM 1354 CA ARG A 133 13.924 14.885 -2.624 1.00 96.89 C ATOM 1355 C ARG A 133 15.266 14.184 -2.494 1.00 94.60 C ATOM 1356 O ARG A 133 15.708 13.866 -1.380 1.00 93.45 O ATOM 1357 CB ARG A 133 12.840 13.920 -3.126 1.00101.58 C ATOM 1358 CG ARG A 133 11.448 14.550 -3.144 1.00106.00 C ATOM 1359 CD ARG A 133 10.345 13.564 -3.461 1.00114.57 C ATOM 1360 NE ARG A 133 9.043 14.217 -3.359 1.00115.50 N ATOM 1361 CZ ARG A 133 7.892 13.661 -3.727 1.00120.74 C ATOM 1362 NH1 ARG A 133 7.871 12.432 -4.224 1.00119.33 N ATOM 1363 NH2 ARG A 133 6.753 14.338 -3.605 1.00120.26 N ATOM 1364 HE ARG A 133 9.014 15.182 -2.972 1.00 0.00 H ATOM 1365 HH12 ARG A 133 6.968 12.002 -4.510 1.00 0.00 H ATOM 1366 HH11 ARG A 133 8.757 11.898 -4.328 1.00 0.00 H ATOM 1367 HH22 ARG A 133 5.855 13.901 -3.894 1.00 0.00 H ATOM 1368 HH21 ARG A 133 6.761 15.305 -3.221 1.00 0.00 H ATOM 1369 H ARG A 133 13.540 16.016 -4.431 1.00 0.00 H ATOM 1370 N LYS A 134 15.938 13.943 -3.623 1.00 93.82 N ATOM 1371 CA LYS A 134 17.294 13.412 -3.550 1.00 93.43 C ATOM 1372 C LYS A 134 18.189 14.303 -2.690 1.00 87.47 C ATOM 1373 O LYS A 134 19.002 13.798 -1.914 1.00 91.25 O ATOM 1374 CB LYS A 134 17.877 13.226 -4.959 1.00 92.37 C ATOM 1375 CG LYS A 134 16.899 12.623 -5.983 1.00 87.41 C ATOM 1376 CD LYS A 134 17.540 11.663 -6.971 1.00 83.92 C ATOM 1377 CE LYS A 134 17.306 10.205 -6.533 1.00 91.58 C ATOM 1378 NZ LYS A 134 17.658 9.155 -7.529 1.00 84.80 N ATOM 1379 HZ1 LYS A 134 17.091 9.291 -8.390 1.00 0.00 H ATOM 1380 HZ2 LYS A 134 18.669 9.226 -7.764 1.00 0.00 H ATOM 1381 HZ3 LYS A 134 17.460 8.217 -7.127 1.00 0.00 H ATOM 1382 H LYS A 134 15.498 14.132 -4.546 1.00 0.00 H ATOM 1383 N LEU A 135 18.031 15.626 -2.765 1.00 80.17 N ATOM 1384 CA LEU A 135 18.972 16.498 -2.047 1.00 87.84 C ATOM 1385 C LEU A 135 18.748 16.473 -0.538 1.00 87.41 C ATOM 1386 O LEU A 135 19.712 16.529 0.234 1.00 89.54 O ATOM 1387 CB LEU A 135 18.897 17.936 -2.562 1.00 81.62 C ATOM 1388 CG LEU A 135 19.513 18.233 -3.926 1.00 82.28 C ATOM 1389 CD1 LEU A 135 19.132 19.624 -4.377 1.00 85.78 C ATOM 1390 CD2 LEU A 135 21.008 18.099 -3.864 1.00 73.19 C ATOM 1391 H LEU A 135 17.254 16.034 -3.323 1.00 0.00 H ATOM 1392 N LEU A 136 17.498 16.417 -0.088 1.00 86.11 N ATOM 1393 CA LEU A 136 17.242 16.507 1.344 1.00 86.43 C ATOM 1394 C LEU A 136 16.938 15.161 1.994 1.00 93.30 C ATOM 1395 O LEU A 136 16.569 15.137 3.174 1.00 93.20 O ATOM 1396 CB LEU A 136 16.099 17.485 1.609 1.00 91.47 C ATOM 1397 CG LEU A 136 16.279 18.927 1.128 1.00 88.48 C ATOM 1398 CD1 LEU A 136 14.946 19.656 1.157 1.00 92.90 C ATOM 1399 CD2 LEU A 136 17.285 19.650 2.002 1.00 88.01 C ATOM 1400 H LEU A 136 16.707 16.310 -0.755 1.00 0.00 H ATOM 1401 N LYS A 137 17.094 14.049 1.255 1.00 95.13 N ATOM 1402 CA LYS A 137 16.925 12.701 1.808 1.00 98.11 C ATOM 1403 C LYS A 137 17.669 12.536 3.130 1.00 98.51 C ATOM 1404 O LYS A 137 18.829 12.939 3.268 1.00 94.97 O ATOM 1405 CB LYS A 137 17.428 11.627 0.823 1.00 98.44 C ATOM 1406 CG LYS A 137 16.406 11.071 -0.196 1.00 97.29 C ATOM 1407 CD LYS A 137 17.041 9.999 -1.113 1.00 96.88 C ATOM 1408 CE LYS A 137 16.191 9.685 -2.361 1.00 96.40 C ATOM 1409 NZ LYS A 137 16.981 8.982 -3.427 1.00102.23 N ATOM 1410 HZ1 LYS A 137 17.776 9.584 -3.722 1.00 0.00 H ATOM 1411 HZ2 LYS A 137 17.346 8.084 -3.051 1.00 0.00 H ATOM 1412 HZ3 LYS A 137 16.366 8.793 -4.244 1.00 0.00 H ATOM 1413 H LYS A 137 17.345 14.148 0.251 1.00 0.00 H ATOM 1414 N ALA A 138 16.997 11.898 4.089 1.00100.03 N ATOM 1415 CA ALA A 138 17.549 11.640 5.415 1.00101.11 C ATOM 1416 C ALA A 138 18.757 10.719 5.335 1.00102.60 C ATOM 1417 O ALA A 138 19.092 10.037 6.303 1.00105.09 O ATOM 1418 CB ALA A 138 16.478 11.035 6.329 1.00106.36 C ATOM 1419 H ALA A 138 16.033 11.568 3.882 1.00 0.00 H TER 1420 ALA A 138 HETATM 1421 O HOH 1 27.081 8.096 -6.776 1.00 76.50 O HETATM 1422 O HOH 2 54.292 0.368 -0.812 1.00 83.61 O HETATM 1423 O HOH 3 23.383 14.665 3.266 1.00 84.83 O HETATM 1424 O HOH 4 33.302 20.231 -16.466 1.00 84.87 O HETATM 1425 O HOH 5 53.777 15.673 1.706 1.00 80.74 O HETATM 1426 O HOH 6 44.005 22.216 -2.663 1.00 70.28 O HETATM 1427 O HOH 7 51.530 12.895 -7.174 1.00 70.68 O HETATM 1428 O HOH 8 37.923 25.303 -8.240 1.00 74.20 O HETATM 1429 O HOH 9 41.768 16.582 4.963 1.00 81.72 O HETATM 1430 O HOH 10 27.472 9.019 0.067 1.00 83.45 O HETATM 1431 O HOH 11 56.340 4.442 3.461 1.00 80.78 O HETATM 1432 O HOH 12 48.674 20.131 6.485 1.00 82.58 O HETATM 1433 O HOH 13 19.456 7.166 -2.354 1.00 86.69 O HETATM 1434 O HOH 14 39.096 13.574 9.071 1.00 71.99 O HETATM 1435 O HOH 15 41.910 6.608 -18.209 1.00 86.52 O HETATM 1436 O HOH 16 53.428 19.997 -4.339 1.00 75.09 O HETATM 1437 N THR A 17 57.331 27.351 -0.563 1.00 0.24 N HETATM 1438 CA THR A 17 58.545 27.075 0.215 1.00 0.09 C HETATM 1439 C THR A 17 58.368 25.764 1.001 1.00 0.23 C HETATM 1440 O THR A 17 59.275 24.951 1.058 1.00 -0.39 O HETATM 1441 N THR A 17 57.190 25.548 1.586 1.00 -0.26 N HETATM 1442 CA THR A 17 56.938 24.311 2.310 1.00 0.13 C HETATM 1443 C THR A 17 56.561 23.171 1.367 1.00 0.20 C HETATM 1444 O THR A 17 56.391 22.027 1.813 1.00 -0.39 O HETATM 1445 N THR A 17 56.459 23.430 0.083 1.00 -0.26 N HETATM 1446 CA THR A 17 55.869 22.522 -0.855 1.00 0.13 C HETATM 1447 C THR A 17 56.942 21.932 -1.734 1.00 0.20 C HETATM 1448 O THR A 17 57.998 22.476 -1.769 1.00 -0.39 O HETATM 1449 N THR A 17 56.655 20.824 -2.421 1.00 -0.26 N HETATM 1450 CA THR A 17 57.582 20.176 -3.348 1.00 0.16 C HETATM 1451 C THR A 17 57.643 20.934 -4.665 1.00 0.21 C HETATM 1452 O THR A 17 56.989 21.961 -4.868 1.00 -0.39 O HETATM 1453 N THR A 17 58.375 20.362 -5.609 1.00 -0.26 N HETATM 1454 CA THR A 17 58.190 20.781 -6.985 1.00 0.13 C HETATM 1455 C THR A 17 56.839 20.289 -7.515 1.00 0.20 C HETATM 1456 O THR A 17 56.201 19.382 -6.961 1.00 -0.39 O HETATM 1457 N THR A 17 56.411 20.891 -8.622 1.00 -0.26 N HETATM 1458 CA THR A 17 55.164 20.501 -9.273 1.00 0.13 C HETATM 1459 C THR A 17 55.376 19.897 -10.647 1.00 0.20 C HETATM 1460 O THR A 17 56.481 19.925 -11.175 1.00 -0.39 O HETATM 1461 N THR A 17 54.320 19.361 -11.244 1.00 -0.26 N HETATM 1462 CA THR A 17 54.435 18.863 -12.572 1.00 0.13 C HETATM 1463 CB THR A 17 53.513 17.694 -12.733 1.00 -0.01 C HETATM 1464 CG THR A 17 53.771 16.750 -11.585 1.00 -0.05 C HETATM 1465 CD THR A 17 52.923 15.504 -11.681 1.00 -0.03 C HETATM 1466 CE THR A 17 53.355 14.503 -10.639 1.00 0.03 C HETATM 1467 NZ THR A 17 53.222 13.254 -11.256 1.00 -0.29 N HETATM 1468 CH THR A 17 53.366 12.072 -10.513 1.00 0.18 C HETATM 1469 OH THR A 17 53.645 12.044 -9.312 1.00 -0.40 O HETATM 1470 CX THR A 17 53.167 10.868 -11.393 1.00 -0.00 C HETATM 1471 CY THR A 17 53.237 9.600 -10.977 1.00 -0.06 C HETATM 1472 CH3 THR A 17 52.986 8.587 -12.060 1.00 -0.03 C HETATM 1473 H69 THR A 17 53.061 7.574 -11.639 1.00 0.05 H HETATM 1474 H70 THR A 17 53.734 8.709 -12.857 1.00 0.05 H HETATM 1475 H71 THR A 17 51.979 8.737 -12.476 1.00 0.05 H HETATM 1476 H68 THR A 17 53.456 9.325 -9.946 1.00 0.08 H HETATM 1477 H67 THR A 17 52.950 11.043 -12.446 1.00 0.05 H HETATM 1478 H66 THR A 17 53.023 13.203 -12.235 1.00 0.18 H HETATM 1479 H64 THR A 17 52.708 14.566 -9.751 1.00 0.05 H HETATM 1480 H65 THR A 17 54.400 14.679 -10.345 1.00 0.05 H HETATM 1481 H62 THR A 17 53.039 15.061 -12.681 1.00 0.03 H HETATM 1482 H63 THR A 17 51.868 15.768 -11.517 1.00 0.03 H HETATM 1483 H60 THR A 17 53.540 17.266 -10.641 1.00 0.03 H HETATM 1484 H61 THR A 17 54.832 16.460 -11.594 1.00 0.03 H HETATM 1485 H58 THR A 17 53.713 17.187 -13.688 1.00 0.03 H HETATM 1486 H59 THR A 17 52.467 18.035 -12.711 1.00 0.03 H HETATM 1487 C THR A 17 54.043 19.920 -13.562 1.00 0.20 C HETATM 1488 O THR A 17 53.819 21.110 -13.188 1.00 -0.39 O HETATM 1489 N THR A 17 53.924 19.506 -14.819 1.00 -0.27 N HETATM 1490 CA THR A 17 53.536 20.402 -15.901 1.00 0.12 C HETATM 1491 C THR A 17 52.197 21.085 -15.631 1.00 0.06 C HETATM 1492 O THR A 17 52.094 22.309 -15.744 1.00 -0.57 O HETATM 1493 OXT THR A 17 51.217 20.414 -15.300 1.00 -0.57 O HETATM 1494 CB THR A 17 53.468 19.632 -17.224 1.00 0.08 C HETATM 1495 OG THR A 17 53.673 20.515 -18.308 1.00 -0.39 O HETATM 1496 H76 THR A 17 53.629 20.029 -19.123 1.00 0.21 H HETATM 1497 H74 THR A 17 52.479 19.160 -17.320 1.00 0.06 H HETATM 1498 H75 THR A 17 54.247 18.856 -17.234 1.00 0.06 H HETATM 1499 H73 THR A 17 54.306 21.182 -15.990 1.00 0.07 H HETATM 1500 H72 THR A 17 54.107 18.546 -15.030 1.00 0.19 H HETATM 1501 H57 THR A 17 55.473 18.550 -12.759 1.00 0.08 H HETATM 1502 H56 THR A 17 53.445 19.307 -10.762 1.00 0.19 H HETATM 1503 CB THR A 17 54.273 21.721 -9.368 1.00 -0.01 C HETATM 1504 CG THR A 17 54.403 22.497 -8.122 1.00 -0.02 C HETATM 1505 CD THR A 17 53.250 23.352 -7.907 1.00 0.06 C HETATM 1506 NE THR A 17 52.198 22.696 -7.154 1.00 -0.27 N HETATM 1507 CZ THR A 17 50.957 22.656 -7.591 1.00 0.29 C HETATM 1508 NH1 THR A 17 50.001 22.091 -6.876 1.00 -0.28 N HETATM 1509 H52 THR A 17 49.035 22.069 -7.234 1.00 0.26 H HETATM 1510 H53 THR A 17 50.221 21.673 -5.961 1.00 0.26 H HETATM 1511 NH2 THR A 17 50.689 23.194 -8.772 1.00 -0.28 N HETATM 1512 H54 THR A 17 51.442 23.632 -9.321 1.00 0.26 H HETATM 1513 H55 THR A 17 49.727 23.174 -9.141 1.00 0.26 H HETATM 1514 H51 THR A 17 52.428 22.250 -6.254 1.00 0.26 H HETATM 1515 H49 THR A 17 52.847 23.652 -8.886 1.00 0.07 H HETATM 1516 H50 THR A 17 53.573 24.246 -7.354 1.00 0.07 H HETATM 1517 H47 THR A 17 55.306 23.122 -8.183 1.00 0.03 H HETATM 1518 H48 THR A 17 54.495 21.801 -7.275 1.00 0.03 H HETATM 1519 H45 THR A 17 53.227 21.407 -9.501 1.00 0.03 H HETATM 1520 H46 THR A 17 54.582 22.340 -10.224 1.00 0.03 H HETATM 1521 H44 THR A 17 54.668 19.747 -8.645 1.00 0.08 H HETATM 1522 H43 THR A 17 56.957 21.629 -9.018 1.00 0.19 H HETATM 1523 CB THR A 17 59.315 20.255 -7.866 1.00 -0.02 C HETATM 1524 H40 THR A 17 59.154 20.585 -8.903 1.00 0.03 H HETATM 1525 H41 THR A 17 59.327 19.156 -7.829 1.00 0.03 H HETATM 1526 H42 THR A 17 60.278 20.645 -7.503 1.00 0.03 H HETATM 1527 H39 THR A 17 58.203 21.880 -7.020 1.00 0.08 H HETATM 1528 H38 THR A 17 59.043 19.654 -5.377 1.00 0.19 H HETATM 1529 CB THR A 17 57.143 18.750 -3.667 1.00 0.09 C HETATM 1530 OG1 THR A 17 55.790 18.789 -4.154 1.00 -0.39 O HETATM 1531 H34 THR A 17 55.752 19.324 -4.938 1.00 0.21 H HETATM 1532 CG2 THR A 17 57.247 17.827 -2.446 1.00 -0.03 C HETATM 1533 H35 THR A 17 56.921 16.814 -2.724 1.00 0.03 H HETATM 1534 H36 THR A 17 56.604 18.211 -1.640 1.00 0.03 H HETATM 1535 H37 THR A 17 58.290 17.794 -2.099 1.00 0.03 H HETATM 1536 H33 THR A 17 57.796 18.350 -4.457 1.00 0.06 H HETATM 1537 H32 THR A 17 58.582 20.156 -2.890 1.00 0.08 H HETATM 1538 H31 THR A 17 55.752 20.413 -2.294 1.00 0.19 H HETATM 1539 CB THR A 17 54.901 23.353 -1.663 1.00 0.00 C HETATM 1540 CG THR A 17 53.943 22.660 -2.567 1.00 0.04 C HETATM 1541 CD THR A 17 52.843 23.565 -3.028 1.00 0.17 C HETATM 1542 OE1 THR A 17 52.322 23.435 -4.089 1.00 -0.40 O HETATM 1543 NE2 THR A 17 52.469 24.467 -2.191 1.00 -0.30 N HETATM 1544 H29 THR A 17 51.739 25.105 -2.436 1.00 0.18 H HETATM 1545 H30 THR A 17 52.909 24.531 -1.295 1.00 0.18 H HETATM 1546 H27 THR A 17 53.499 21.810 -2.028 1.00 0.05 H HETATM 1547 H28 THR A 17 54.490 22.291 -3.447 1.00 0.05 H HETATM 1548 H25 THR A 17 55.500 24.032 -2.287 1.00 0.03 H HETATM 1549 H26 THR A 17 54.305 23.940 -0.949 1.00 0.03 H HETATM 1550 H24 THR A 17 55.337 21.714 -0.332 1.00 0.08 H HETATM 1551 H23 THR A 17 56.810 24.303 -0.256 1.00 0.19 H HETATM 1552 CB THR A 17 55.846 24.545 3.375 1.00 -0.01 C HETATM 1553 CG THR A 17 55.819 23.503 4.519 1.00 -0.04 C HETATM 1554 CD THR A 17 54.935 23.894 5.731 1.00 -0.01 C HETATM 1555 CE THR A 17 54.978 22.776 6.824 1.00 -0.04 C HETATM 1556 NZ THR A 17 54.293 23.108 8.123 1.00 0.22 N HETATM 1557 H20 THR A 17 54.377 22.328 8.756 1.00 0.20 H HETATM 1558 H21 THR A 17 53.318 23.297 7.950 1.00 0.20 H HETATM 1559 H22 THR A 17 54.726 23.921 8.533 1.00 0.20 H HETATM 1560 H18 THR A 17 56.034 22.559 7.044 1.00 0.08 H HETATM 1561 H19 THR A 17 54.498 21.878 6.408 1.00 0.08 H HETATM 1562 H16 THR A 17 53.897 24.030 5.393 1.00 0.03 H HETATM 1563 H17 THR A 17 55.307 24.835 6.162 1.00 0.03 H HETATM 1564 H14 THR A 17 56.849 23.361 4.878 1.00 0.03 H HETATM 1565 H15 THR A 17 55.440 22.555 4.110 1.00 0.03 H HETATM 1566 H12 THR A 17 54.868 24.526 2.872 1.00 0.03 H HETATM 1567 H13 THR A 17 56.010 25.537 3.820 1.00 0.03 H HETATM 1568 H11 THR A 17 57.865 24.024 2.828 1.00 0.08 H HETATM 1569 H10 THR A 17 56.473 26.242 1.527 1.00 0.19 H HETATM 1570 CB THR A 17 58.900 28.265 1.178 1.00 0.11 C HETATM 1571 OG1 THR A 17 59.160 29.462 0.421 1.00 -0.38 O HETATM 1572 H6 THR A 17 59.373 30.172 1.016 1.00 0.21 H HETATM 1573 CG2 THR A 17 60.130 27.947 2.048 1.00 -0.03 C HETATM 1574 H7 THR A 17 60.345 28.802 2.706 1.00 0.03 H HETATM 1575 H8 THR A 17 60.998 27.756 1.400 1.00 0.03 H HETATM 1576 H9 THR A 17 59.926 27.056 2.660 1.00 0.03 H HETATM 1577 H5 THR A 17 58.039 28.443 1.839 1.00 0.07 H HETATM 1578 H4 THR A 17 59.382 26.947 -0.488 1.00 0.11 H HETATM 1579 H1 THR A 17 57.134 26.569 -1.168 1.00 0.20 H HETATM 1580 H2 THR A 17 57.470 28.180 -1.120 1.00 0.20 H HETATM 1581 H3 THR A 17 56.555 27.494 0.064 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1437 1438 1579 1580 1581 CONECT 1438 1437 1439 1570 1578 CONECT 1439 1438 1440 1441 CONECT 1440 1439 CONECT 1441 1439 1442 1569 CONECT 1442 1441 1443 1552 1568 CONECT 1443 1442 1444 1445 CONECT 1444 1443 CONECT 1445 1443 1446 1551 CONECT 1446 1445 1447 1539 1550 CONECT 1447 1446 1448 1449 CONECT 1448 1447 CONECT 1449 1447 1450 1538 CONECT 1450 1449 1451 1529 1537 CONECT 1451 1450 1452 1453 CONECT 1452 1451 CONECT 1453 1451 1454 1528 CONECT 1454 1453 1455 1523 1527 CONECT 1455 1454 1456 1457 CONECT 1456 1455 CONECT 1457 1455 1458 1522 CONECT 1458 1457 1459 1503 1521 CONECT 1459 1458 1460 1461 CONECT 1460 1459 CONECT 1461 1459 1462 1502 CONECT 1462 1461 1463 1487 1501 CONECT 1463 1462 1464 1485 1486 CONECT 1464 1463 1465 1483 1484 CONECT 1465 1464 1466 1481 1482 CONECT 1466 1465 1467 1479 1480 CONECT 1467 1466 1468 1478 CONECT 1468 1467 1469 1470 CONECT 1469 1468 CONECT 1470 1468 1471 1477 CONECT 1471 1470 1472 1476 CONECT 1472 1471 1473 1474 1475 CONECT 1473 1472 CONECT 1474 1472 CONECT 1475 1472 CONECT 1476 1471 CONECT 1477 1470 CONECT 1478 1467 CONECT 1479 1466 CONECT 1480 1466 CONECT 1481 1465 CONECT 1482 1465 CONECT 1483 1464 CONECT 1484 1464 CONECT 1485 1463 CONECT 1486 1463 CONECT 1487 1462 1488 1489 CONECT 1488 1487 CONECT 1489 1487 1490 1500 CONECT 1490 1489 1491 1494 1499 CONECT 1491 1490 1492 1493 CONECT 1492 1491 CONECT 1493 1491 CONECT 1494 1490 1495 1497 1498 CONECT 1495 1494 1496 CONECT 1496 1495 CONECT 1497 1494 CONECT 1498 1494 CONECT 1499 1490 CONECT 1500 1489 CONECT 1501 1462 CONECT 1502 1461 CONECT 1503 1458 1504 1519 1520 CONECT 1504 1503 1505 1517 1518 CONECT 1505 1504 1506 1515 1516 CONECT 1506 1505 1507 1514 CONECT 1507 1506 1508 1511 CONECT 1508 1507 1509 1510 CONECT 1509 1508 CONECT 1510 1508 CONECT 1511 1507 1512 1513 CONECT 1512 1511 CONECT 1513 1511 CONECT 1514 1506 CONECT 1515 1505 CONECT 1516 1505 CONECT 1517 1504 CONECT 1518 1504 CONECT 1519 1503 CONECT 1520 1503 CONECT 1521 1458 CONECT 1522 1457 CONECT 1523 1454 1524 1525 1526 CONECT 1524 1523 CONECT 1525 1523 CONECT 1526 1523 CONECT 1527 1454 CONECT 1528 1453 CONECT 1529 1450 1530 1532 1536 CONECT 1530 1529 1531 CONECT 1531 1530 CONECT 1532 1529 1533 1534 1535 CONECT 1533 1532 CONECT 1534 1532 CONECT 1535 1532 CONECT 1536 1529 CONECT 1537 1450 CONECT 1538 1449 CONECT 1539 1446 1540 1548 1549 CONECT 1540 1539 1541 1546 1547 CONECT 1541 1540 1542 1543 CONECT 1542 1541 CONECT 1543 1541 1544 1545 CONECT 1544 1543 CONECT 1545 1543 CONECT 1546 1540 CONECT 1547 1540 CONECT 1548 1539 CONECT 1549 1539 CONECT 1550 1446 CONECT 1551 1445 CONECT 1552 1442 1553 1566 1567 CONECT 1553 1552 1554 1564 1565 CONECT 1554 1553 1555 1562 1563 CONECT 1555 1554 1556 1560 1561 CONECT 1556 1555 1557 1558 1559 CONECT 1557 1556 CONECT 1558 1556 CONECT 1559 1556 CONECT 1560 1555 CONECT 1561 1555 CONECT 1562 1554 CONECT 1563 1554 CONECT 1564 1553 CONECT 1565 1553 CONECT 1566 1552 CONECT 1567 1552 CONECT 1568 1442 CONECT 1569 1441 CONECT 1570 1438 1571 1573 1577 CONECT 1571 1570 1572 CONECT 1572 1571 CONECT 1573 1570 1574 1575 1576 CONECT 1574 1573 CONECT 1575 1573 CONECT 1576 1573 CONECT 1577 1570 CONECT 1578 1438 CONECT 1579 1437 CONECT 1580 1437 CONECT 1581 1437 MASTER 0 0 0 0 0 0 0 0 1580 1 149 11 END
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Related entries of code: 5hjb
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
140aa, >5HJD_1|Chains... at 100%
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PDBbind
141aa, >5YYF_1|Chains... at 100%
6mim
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141aa, >6MIM_1|Chains... at 99%
Complexes with the same small molecule ligand
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Ligand Name
1fo0
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PDBbind
8-mer
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PDBbind
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PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
5hjb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein AF-9 YEATS domain
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=2.1uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Mol.Cell Vol. 62: pp. 181-193
Ligand Properties
Formula
C
4
1
H
7
7
N
1
4
O
1
4
Molecular Weight
990.135
Exact Mass
989.574
No. of atoms
146
No. of bonds
145
Polar Surface Area
495.17
LOGP Value
-5.82 (
Computed with XLOGP3
)
-5.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 45
No. of Nitrogen and Oxygen Atoms: 28
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)/C=C/C)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)[NH3+]
InChI String
InChI=1S/C41H74N14O14/c1-5-11-30(60)47-18-9-7-13-24(36(64)54-28(20-56)40(68)69)51-35(63)26(14-10-19-48-41(45)46)50-33(61)21(2)49-39(67)32(23(4)58)55-37(65)27(15-16-29(43)59)52-34(62)25(12-6-8-17-42)53-38(66)31(44)22(3)57/h5,11,21-28,31-32,56-58H,6-10,12-20,42,44H2,1-4H3,(H2,43,59)(H,47,60)(H,49,67)(H,50,61)(H,51,63)(H,52,62)(H,53,66)(H,54,64)(H,55,65)(H,68,69)(H4,45,46,48)/p+3/b11-5+/t21-,22+,23+,24-,25-,26-,27-,28-,31-,32-/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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