Browse entries in the PDBbind-CN Database
HEADER 5YYF_COMPLEX COMPND 5YYF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 138 MET ALA SER SER CYS ALA VAL GLN VAL LYS LEU GLU LEU SEQRES 2 A 138 GLY HIS ARG ALA GLN VAL ARG LYS LYS PRO THR VAL GLU SEQRES 3 A 138 GLY PHE THR HIS ASP TRP MET VAL PHE VAL ARG GLY PRO SEQRES 4 A 138 GLU HIS SER ASN ILE GLN HIS PHE VAL GLU LYS VAL VAL SEQRES 5 A 138 PHE HIS LEU HIS GLU SER PHE PRO ARG PRO LYS ARG VAL SEQRES 6 A 138 CYS LYS ASP PRO PRO TYR LYS VAL GLU GLU SER GLY TYR SEQRES 7 A 138 ALA GLY PHE ILE LEU PRO ILE GLU VAL TYR PHE LYS ASN SEQRES 8 A 138 LYS GLU GLU PRO ARG LYS VAL ARG PHE ASP TYR ASP LEU SEQRES 9 A 138 PHE LEU HIS LEU GLU GLY HIS PRO PRO VAL ASN HIS LEU SEQRES 10 A 138 ARG CYS GLU LYS LEU THR PHE ASN ASN PRO THR GLU ASP SEQRES 11 A 138 PHE ARG ARG LYS LEU LEU LYS ALA HET PHQ A 309 118 ATOM 1 N MET A 1 -15.891 14.545 6.613 1.00 58.43 N ATOM 2 CA MET A 1 -15.834 15.953 6.981 1.00 45.44 C ATOM 3 C MET A 1 -14.678 16.666 6.302 1.00 39.90 C ATOM 4 O MET A 1 -13.860 16.049 5.619 1.00 41.40 O ATOM 5 CB MET A 1 -15.697 16.115 8.498 1.00 47.53 C ATOM 6 CG MET A 1 -16.402 15.053 9.314 1.00 58.59 C ATOM 7 SD MET A 1 -18.128 15.472 9.615 1.00 85.15 S ATOM 8 CE MET A 1 -17.993 16.381 11.153 1.00 62.58 C ATOM 9 HN3 MET A 1 -15.006 14.078 6.896 1.00 0.00 H ATOM 10 HN2 MET A 1 -16.014 14.462 5.584 1.00 0.00 H ATOM 11 HN1 MET A 1 -16.693 14.094 7.097 1.00 0.00 H ATOM 12 N ALA A 2 -14.615 17.979 6.505 1.00 37.07 N ATOM 13 CA ALA A 2 -13.457 18.752 6.090 1.00 42.44 C ATOM 14 C ALA A 2 -12.266 18.569 7.019 1.00 39.15 C ATOM 15 O ALA A 2 -11.147 18.925 6.637 1.00 35.38 O ATOM 16 CB ALA A 2 -13.815 20.239 6.011 1.00 35.41 C ATOM 17 H ALA A 2 -15.410 18.462 6.970 1.00 0.00 H ATOM 18 N SER A 3 -12.468 18.013 8.212 1.00 39.14 N ATOM 19 CA SER A 3 -11.450 18.046 9.249 1.00 35.63 C ATOM 20 C SER A 3 -11.125 16.648 9.758 1.00 34.13 C ATOM 21 O SER A 3 -11.932 15.718 9.672 1.00 34.57 O ATOM 22 CB SER A 3 -11.881 18.935 10.424 1.00 34.29 C ATOM 23 OG SER A 3 -13.113 18.502 10.972 1.00 44.12 O ATOM 24 HG SER A 3 -13.364 19.093 11.725 1.00 0.00 H ATOM 25 H SER A 3 -13.376 17.544 8.406 1.00 0.00 H ATOM 26 N SER A 4 -9.913 16.526 10.296 1.00 34.73 N ATOM 27 CA SER A 4 -9.449 15.319 10.960 1.00 34.45 C ATOM 28 C SER A 4 -8.575 15.721 12.139 1.00 28.77 C ATOM 29 O SER A 4 -8.076 16.846 12.214 1.00 27.26 O ATOM 30 CB SER A 4 -8.676 14.400 10.003 1.00 36.15 C ATOM 31 OG SER A 4 -7.582 15.078 9.412 1.00 36.97 O ATOM 32 HG SER A 4 -7.915 15.858 8.901 1.00 0.00 H ATOM 33 H SER A 4 -9.264 17.337 10.238 1.00 0.00 H ATOM 34 N CYS A 5 -8.395 14.782 13.063 1.00 29.31 N ATOM 35 CA CYS A 5 -7.686 15.029 14.308 1.00 34.82 C ATOM 36 C CYS A 5 -6.666 13.929 14.550 1.00 31.04 C ATOM 37 O CYS A 5 -6.929 12.754 14.278 1.00 32.06 O ATOM 38 CB CYS A 5 -8.666 15.100 15.489 1.00 33.63 C ATOM 39 SG CYS A 5 -8.004 15.814 17.004 1.00 52.98 S ATOM 40 H CYS A 5 -8.777 13.831 12.888 1.00 0.00 H ATOM 41 N ALA A 6 -5.496 14.319 15.048 1.00 31.63 N ATOM 42 CA ALA A 6 -4.520 13.386 15.593 1.00 30.32 C ATOM 43 C ALA A 6 -4.164 13.868 16.988 1.00 24.52 C ATOM 44 O ALA A 6 -3.690 14.997 17.152 1.00 28.27 O ATOM 45 CB ALA A 6 -3.270 13.291 14.713 1.00 33.21 C ATOM 46 H ALA A 6 -5.269 15.334 15.048 1.00 0.00 H ATOM 47 N VAL A 7 -4.415 13.031 17.990 1.00 24.57 N ATOM 48 CA VAL A 7 -4.123 13.356 19.380 1.00 24.55 C ATOM 49 C VAL A 7 -2.906 12.554 19.809 1.00 25.96 C ATOM 50 O VAL A 7 -2.810 11.354 19.527 1.00 26.78 O ATOM 51 CB VAL A 7 -5.323 13.072 20.299 1.00 22.34 C ATOM 52 CG1 VAL A 7 -4.932 13.268 21.761 1.00 24.69 C ATOM 53 CG2 VAL A 7 -6.489 13.972 19.935 1.00 28.24 C ATOM 54 H VAL A 7 -4.837 12.106 17.773 1.00 0.00 H ATOM 55 N GLN A 8 -1.977 13.221 20.481 1.00 28.86 N ATOM 56 CA GLN A 8 -0.756 12.605 20.969 1.00 28.81 C ATOM 57 C GLN A 8 -0.749 12.675 22.486 1.00 30.25 C ATOM 58 O GLN A 8 -1.018 13.735 23.059 1.00 27.37 O ATOM 59 CB GLN A 8 0.465 13.312 20.386 1.00 35.36 C ATOM 60 CG GLN A 8 1.779 12.905 20.993 1.00 41.19 C ATOM 61 CD GLN A 8 2.882 13.849 20.593 1.00 55.78 C ATOM 62 OE1 GLN A 8 3.381 13.796 19.469 1.00 66.79 O ATOM 63 NE2 GLN A 8 3.271 14.729 21.509 1.00 48.50 N ATOM 64 HE22 GLN A 8 2.821 14.737 22.446 1.00 0.00 H ATOM 65 HE21 GLN A 8 4.026 15.410 21.289 1.00 0.00 H ATOM 66 H GLN A 8 -2.130 14.233 20.667 1.00 0.00 H ATOM 67 N VAL A 9 -0.464 11.551 23.137 1.00 31.09 N ATOM 68 CA VAL A 9 -0.377 11.496 24.591 1.00 30.55 C ATOM 69 C VAL A 9 1.002 10.972 24.973 1.00 26.32 C ATOM 70 O VAL A 9 1.512 10.026 24.359 1.00 27.92 O ATOM 71 CB VAL A 9 -1.507 10.647 25.212 1.00 33.11 C ATOM 72 CG1 VAL A 9 -2.844 11.017 24.596 1.00 35.75 C ATOM 73 CG2 VAL A 9 -1.255 9.161 25.057 1.00 37.03 C ATOM 74 H VAL A 9 -0.298 10.682 22.590 1.00 0.00 H ATOM 75 N LYS A 10 1.617 11.619 25.956 1.00 27.11 N ATOM 76 CA LYS A 10 2.925 11.229 26.460 1.00 31.37 C ATOM 77 C LYS A 10 2.746 10.424 27.737 1.00 28.01 C ATOM 78 O LYS A 10 1.982 10.819 28.624 1.00 25.13 O ATOM 79 CB LYS A 10 3.799 12.452 26.738 1.00 33.11 C ATOM 80 CG LYS A 10 4.300 13.179 25.507 1.00 38.27 C ATOM 81 CD LYS A 10 5.097 14.408 25.911 1.00 54.10 C ATOM 82 CE LYS A 10 5.722 15.084 24.710 1.00 64.15 C ATOM 83 NZ LYS A 10 6.526 14.119 23.922 1.00 61.40 N ATOM 84 HZ1 LYS A 10 7.283 13.730 24.520 1.00 0.00 H ATOM 85 HZ2 LYS A 10 5.913 13.347 23.591 1.00 0.00 H ATOM 86 HZ3 LYS A 10 6.945 14.605 23.104 1.00 0.00 H ATOM 87 H LYS A 10 1.143 12.440 26.384 1.00 0.00 H ATOM 88 N LEU A 11 3.443 9.299 27.822 1.00 25.38 N ATOM 89 CA LEU A 11 3.499 8.507 29.038 1.00 23.96 C ATOM 90 C LEU A 11 4.940 8.406 29.505 1.00 26.04 C ATOM 91 O LEU A 11 5.877 8.451 28.703 1.00 26.98 O ATOM 92 CB LEU A 11 2.936 7.099 28.830 1.00 23.36 C ATOM 93 CG LEU A 11 1.463 6.959 28.450 1.00 29.80 C ATOM 94 CD1 LEU A 11 1.092 5.488 28.368 1.00 29.70 C ATOM 95 CD2 LEU A 11 0.577 7.688 29.445 1.00 32.03 C ATOM 96 H LEU A 11 3.969 8.972 26.987 1.00 0.00 H ATOM 97 N GLU A 12 5.109 8.270 30.814 1.00 28.02 N ATOM 98 CA GLU A 12 6.405 7.981 31.405 1.00 24.76 C ATOM 99 C GLU A 12 6.298 6.662 32.152 1.00 24.28 C ATOM 100 O GLU A 12 5.451 6.512 33.040 1.00 22.13 O ATOM 101 CB GLU A 12 6.863 9.111 32.327 1.00 21.78 C ATOM 102 CG GLU A 12 7.153 10.402 31.577 1.00 27.44 C ATOM 103 CD GLU A 12 7.731 11.488 32.460 1.00 35.83 C ATOM 104 OE1 GLU A 12 8.153 12.530 31.915 1.00 39.56 O ATOM 105 OE2 GLU A 12 7.764 11.304 33.695 1.00 31.54 O ATOM 106 H GLU A 12 4.285 8.374 31.439 1.00 0.00 H ATOM 107 N LEU A 13 7.121 5.701 31.755 1.00 19.69 N ATOM 108 CA LEU A 13 7.293 4.450 32.471 1.00 19.42 C ATOM 109 C LEU A 13 8.646 4.501 33.159 1.00 20.27 C ATOM 110 O LEU A 13 9.603 5.064 32.619 1.00 25.70 O ATOM 111 CB LEU A 13 7.224 3.243 31.526 1.00 21.48 C ATOM 112 CG LEU A 13 5.891 2.824 30.891 1.00 21.44 C ATOM 113 CD1 LEU A 13 5.291 3.917 30.019 1.00 31.11 C ATOM 114 CD2 LEU A 13 6.078 1.550 30.079 1.00 25.70 C ATOM 115 H LEU A 13 7.672 5.851 30.886 1.00 0.00 H ATOM 116 N GLY A 14 8.728 3.936 34.353 1.00 23.42 N ATOM 117 CA GLY A 14 9.996 3.994 35.053 1.00 19.22 C ATOM 118 C GLY A 14 9.988 3.092 36.262 1.00 19.94 C ATOM 119 O GLY A 14 8.951 2.561 36.669 1.00 16.95 O ATOM 120 H GLY A 14 7.905 3.463 34.778 1.00 0.00 H ATOM 121 N HIS A 15 11.176 2.930 36.833 1.00 17.76 N ATOM 122 CA HIS A 15 11.308 2.151 38.048 1.00 16.86 C ATOM 123 C HIS A 15 12.539 2.608 38.812 1.00 23.90 C ATOM 124 O HIS A 15 13.463 3.206 38.252 1.00 21.13 O ATOM 125 CB HIS A 15 11.358 0.642 37.751 1.00 17.34 C ATOM 126 CG HIS A 15 12.702 0.139 37.324 1.00 22.57 C ATOM 127 ND1 HIS A 15 13.285 0.492 36.126 1.00 18.68 N ATOM 128 CD2 HIS A 15 13.563 -0.718 37.923 1.00 21.08 C ATOM 129 CE1 HIS A 15 14.454 -0.114 36.012 1.00 17.67 C ATOM 130 NE2 HIS A 15 14.646 -0.854 37.088 1.00 21.97 N ATOM 131 H HIS A 15 12.018 3.365 36.405 1.00 0.00 H ATOM 132 N ARG A 16 12.513 2.355 40.114 1.00 20.34 N ATOM 133 CA ARG A 16 13.664 2.518 40.985 1.00 24.79 C ATOM 134 C ARG A 16 13.926 1.191 41.676 1.00 22.34 C ATOM 135 O ARG A 16 12.986 0.471 42.021 1.00 22.68 O ATOM 136 CB ARG A 16 13.441 3.630 42.019 1.00 25.83 C ATOM 137 CG ARG A 16 13.466 5.031 41.427 1.00 25.03 C ATOM 138 CD ARG A 16 13.095 6.093 42.454 1.00 37.38 C ATOM 139 NE ARG A 16 12.128 7.044 41.910 1.00 56.99 N ATOM 140 CZ ARG A 16 10.966 7.349 42.481 1.00 55.96 C ATOM 141 NH1 ARG A 16 10.153 8.222 41.904 1.00 53.65 N ATOM 142 NH2 ARG A 16 10.619 6.792 43.631 1.00 54.67 N ATOM 143 HE ARG A 16 12.365 7.515 41.014 1.00 0.00 H ATOM 144 HH12 ARG A 16 9.244 8.460 42.351 1.00 0.00 H ATOM 145 HH11 ARG A 16 10.423 8.669 41.005 1.00 0.00 H ATOM 146 HH22 ARG A 16 9.709 7.034 44.073 1.00 0.00 H ATOM 147 HH21 ARG A 16 11.256 6.112 44.093 1.00 0.00 H ATOM 148 H ARG A 16 11.621 2.022 40.533 1.00 0.00 H ATOM 149 N ALA A 17 15.201 0.859 41.855 1.00 20.52 N ATOM 150 CA ALA A 17 15.591 -0.395 42.484 1.00 24.07 C ATOM 151 C ALA A 17 16.799 -0.149 43.369 1.00 20.16 C ATOM 152 O ALA A 17 17.781 0.455 42.928 1.00 22.98 O ATOM 153 CB ALA A 17 15.906 -1.470 41.439 1.00 26.42 C ATOM 154 H ALA A 17 15.942 1.515 41.536 1.00 0.00 H ATOM 155 N GLN A 18 16.726 -0.626 44.608 1.00 19.89 N ATOM 156 CA GLN A 18 17.745 -0.355 45.613 1.00 27.77 C ATOM 157 C GLN A 18 18.113 -1.646 46.327 1.00 28.37 C ATOM 158 O GLN A 18 17.228 -2.399 46.744 1.00 27.21 O ATOM 159 CB GLN A 18 17.243 0.679 46.622 1.00 22.61 C ATOM 160 CG GLN A 18 18.243 1.038 47.699 1.00 44.11 C ATOM 161 CD GLN A 18 18.281 2.526 47.962 1.00 52.11 C ATOM 162 OE1 GLN A 18 17.243 3.187 47.992 1.00 50.26 O ATOM 163 NE2 GLN A 18 19.479 3.065 48.149 1.00 58.47 N ATOM 164 HE22 GLN A 18 20.329 2.467 48.115 1.00 0.00 H ATOM 165 HE21 GLN A 18 19.568 4.085 48.330 1.00 0.00 H ATOM 166 H GLN A 18 15.910 -1.215 44.870 1.00 0.00 H ATOM 167 N VAL A 19 19.414 -1.899 46.469 1.00 27.10 N ATOM 168 CA VAL A 19 19.864 -3.025 47.272 1.00 25.44 C ATOM 169 C VAL A 19 19.509 -2.767 48.726 1.00 31.96 C ATOM 170 O VAL A 19 19.848 -1.719 49.292 1.00 29.72 O ATOM 171 CB VAL A 19 21.372 -3.256 47.102 1.00 28.68 C ATOM 172 CG1 VAL A 19 21.863 -4.291 48.104 1.00 26.85 C ATOM 173 CG2 VAL A 19 21.684 -3.700 45.686 1.00 25.60 C ATOM 174 H VAL A 19 20.113 -1.286 46.002 1.00 0.00 H ATOM 175 N ARG A 20 18.807 -3.715 49.334 1.00 30.22 N ATOM 176 CA ARG A 20 18.431 -3.589 50.734 1.00 35.38 C ATOM 177 C ARG A 20 19.673 -3.609 51.621 1.00 36.75 C ATOM 178 O ARG A 20 20.631 -4.341 51.354 1.00 31.57 O ATOM 179 CB ARG A 20 17.505 -4.739 51.113 1.00 37.50 C ATOM 180 CG ARG A 20 16.127 -4.651 50.498 1.00 31.78 C ATOM 181 CD ARG A 20 15.323 -5.878 50.857 1.00 28.11 C ATOM 182 NE ARG A 20 15.103 -5.954 52.294 1.00 30.15 N ATOM 183 CZ ARG A 20 14.005 -5.514 52.893 1.00 34.77 C ATOM 184 NH1 ARG A 20 13.030 -4.975 52.180 1.00 29.58 N ATOM 185 NH2 ARG A 20 13.879 -5.618 54.206 1.00 30.83 N ATOM 186 HE ARG A 20 15.848 -6.377 52.883 1.00 0.00 H ATOM 187 HH12 ARG A 20 12.170 -4.631 52.652 1.00 0.00 H ATOM 188 HH11 ARG A 20 13.124 -4.896 51.147 1.00 0.00 H ATOM 189 HH22 ARG A 20 13.017 -5.273 54.675 1.00 0.00 H ATOM 190 HH21 ARG A 20 14.642 -6.045 54.769 1.00 0.00 H ATOM 191 H ARG A 20 18.521 -4.561 48.801 1.00 0.00 H ATOM 192 N LYS A 21 19.636 -2.820 52.668 1.00 38.97 N ATOM 193 CA LYS A 21 20.631 -2.895 53.727 1.00 41.87 C ATOM 194 C LYS A 21 20.749 -4.313 54.212 1.00 43.21 C ATOM 195 O LYS A 21 21.832 -4.816 54.338 1.00 36.72 O ATOM 196 CB LYS A 21 20.324 -1.951 54.895 1.00 42.09 C ATOM 197 CG LYS A 21 18.862 -1.818 55.369 1.00 59.01 C ATOM 198 CD LYS A 21 17.770 -2.638 54.639 1.00 70.66 C ATOM 199 CE LYS A 21 16.769 -1.719 53.951 1.00 59.50 C ATOM 200 NZ LYS A 21 17.446 -0.900 52.909 1.00 62.68 N ATOM 201 HZ1 LYS A 21 18.188 -0.322 53.352 1.00 0.00 H ATOM 202 HZ2 LYS A 21 17.873 -1.529 52.199 1.00 0.00 H ATOM 203 HZ3 LYS A 21 16.749 -0.279 52.450 1.00 0.00 H ATOM 204 H LYS A 21 18.872 -2.119 52.744 1.00 0.00 H ATOM 205 N LYS A 22 19.602 -4.949 54.410 1.00 41.65 N ATOM 206 CA LYS A 22 19.492 -6.292 54.971 1.00 40.90 C ATOM 207 C LYS A 22 18.452 -7.048 54.154 1.00 36.74 C ATOM 208 O LYS A 22 17.292 -6.587 54.048 1.00 30.32 O ATOM 209 CB LYS A 22 19.093 -6.222 56.451 1.00 38.38 C ATOM 210 CG LYS A 22 18.530 -7.511 57.043 1.00 54.79 C ATOM 211 CD LYS A 22 19.396 -8.719 56.736 1.00 51.35 C ATOM 212 CE LYS A 22 18.883 -9.967 57.428 1.00 62.20 C ATOM 213 NZ LYS A 22 17.971 -10.786 56.576 1.00 48.26 N ATOM 214 HZ1 LYS A 22 17.144 -10.215 56.307 1.00 0.00 H ATOM 215 HZ2 LYS A 22 18.478 -11.089 55.720 1.00 0.00 H ATOM 216 HZ3 LYS A 22 17.658 -11.622 57.109 1.00 0.00 H ATOM 217 H LYS A 22 18.723 -4.458 54.148 1.00 0.00 H ATOM 218 N PRO A 23 18.803 -8.191 53.559 1.00 32.87 N ATOM 219 CA PRO A 23 17.820 -8.973 52.798 1.00 35.86 C ATOM 220 C PRO A 23 16.561 -9.262 53.605 1.00 37.38 C ATOM 221 O PRO A 23 16.582 -9.302 54.836 1.00 33.39 O ATOM 222 CB PRO A 23 18.571 -10.266 52.472 1.00 35.91 C ATOM 223 CG PRO A 23 20.013 -9.915 52.543 1.00 35.91 C ATOM 224 CD PRO A 23 20.172 -8.722 53.436 1.00 31.71 C ATOM 225 N THR A 24 15.454 -9.477 52.893 1.00 24.18 N ATOM 226 CA THR A 24 14.230 -9.903 53.551 1.00 28.21 C ATOM 227 C THR A 24 14.426 -11.286 54.170 1.00 30.15 C ATOM 228 O THR A 24 15.430 -11.967 53.942 1.00 29.57 O ATOM 229 CB THR A 24 13.058 -9.932 52.569 1.00 31.65 C ATOM 230 OG1 THR A 24 13.182 -11.067 51.701 1.00 27.98 O ATOM 231 CG2 THR A 24 13.010 -8.659 51.737 1.00 34.60 C ATOM 232 HG1 THR A 24 13.178 -11.896 52.242 1.00 0.00 H ATOM 233 H THR A 24 15.467 -9.339 51.862 1.00 0.00 H ATOM 234 N VAL A 25 13.437 -11.702 54.966 1.00 34.93 N ATOM 235 CA VAL A 25 13.524 -12.995 55.639 1.00 38.40 C ATOM 236 C VAL A 25 13.597 -14.128 54.626 1.00 38.04 C ATOM 237 O VAL A 25 14.170 -15.188 54.907 1.00 34.09 O ATOM 238 CB VAL A 25 12.342 -13.169 56.613 1.00 42.86 C ATOM 239 CG1 VAL A 25 12.296 -12.008 57.596 1.00 46.86 C ATOM 240 CG2 VAL A 25 11.030 -13.279 55.854 1.00 37.12 C ATOM 241 H VAL A 25 12.600 -11.101 55.107 1.00 0.00 H ATOM 242 N GLU A 26 13.034 -13.926 53.433 1.00 29.99 N ATOM 243 CA GLU A 26 13.160 -14.884 52.343 1.00 29.43 C ATOM 244 C GLU A 26 14.489 -14.768 51.612 1.00 21.85 C ATOM 245 O GLU A 26 14.784 -15.611 50.759 1.00 29.21 O ATOM 246 CB GLU A 26 12.019 -14.702 51.337 1.00 34.74 C ATOM 247 CG GLU A 26 10.625 -14.677 51.945 1.00 36.65 C ATOM 248 CD GLU A 26 10.220 -13.297 52.427 1.00 39.38 C ATOM 249 OE1 GLU A 26 11.050 -12.369 52.340 1.00 35.94 O ATOM 250 OE2 GLU A 26 9.072 -13.141 52.892 1.00 46.86 O ATOM 251 H GLU A 26 12.487 -13.055 53.276 1.00 0.00 H ATOM 252 N GLY A 27 15.287 -13.749 51.916 1.00 30.54 N ATOM 253 CA GLY A 27 16.536 -13.527 51.224 1.00 27.85 C ATOM 254 C GLY A 27 16.453 -12.620 50.018 1.00 31.91 C ATOM 255 O GLY A 27 17.446 -12.500 49.290 1.00 30.46 O ATOM 256 H GLY A 27 15.005 -13.094 52.673 1.00 0.00 H ATOM 257 N PHE A 28 15.306 -11.988 49.775 1.00 28.77 N ATOM 258 CA PHE A 28 15.194 -11.042 48.671 1.00 25.87 C ATOM 259 C PHE A 28 16.138 -9.867 48.903 1.00 25.74 C ATOM 260 O PHE A 28 16.182 -9.299 49.998 1.00 30.50 O ATOM 261 CB PHE A 28 13.749 -10.556 48.528 1.00 22.59 C ATOM 262 CG PHE A 28 12.735 -11.668 48.393 1.00 26.79 C ATOM 263 CD1 PHE A 28 13.072 -12.872 47.792 1.00 30.28 C ATOM 264 CD2 PHE A 28 11.442 -11.502 48.862 1.00 24.33 C ATOM 265 CE1 PHE A 28 12.140 -13.889 47.669 1.00 26.15 C ATOM 266 CE2 PHE A 28 10.505 -12.515 48.741 1.00 26.06 C ATOM 267 CZ PHE A 28 10.855 -13.710 48.145 1.00 27.04 C ATOM 268 H PHE A 28 14.480 -12.171 50.380 1.00 0.00 H ATOM 269 N THR A 29 16.898 -9.507 47.867 1.00 24.88 N ATOM 270 CA THR A 29 18.015 -8.578 48.015 1.00 25.55 C ATOM 271 C THR A 29 17.659 -7.130 47.708 1.00 30.40 C ATOM 272 O THR A 29 18.303 -6.220 48.243 1.00 25.83 O ATOM 273 CB THR A 29 19.173 -8.990 47.100 1.00 29.29 C ATOM 274 OG1 THR A 29 18.673 -9.238 45.779 1.00 27.44 O ATOM 275 CG2 THR A 29 19.857 -10.242 47.626 1.00 27.21 C ATOM 276 HG1 THR A 29 19.422 -9.504 45.189 1.00 0.00 H ATOM 277 H THR A 29 16.689 -9.899 46.927 1.00 0.00 H ATOM 278 N HIS A 30 16.672 -6.890 46.850 1.00 25.57 N ATOM 279 CA HIS A 30 16.369 -5.553 46.363 1.00 30.63 C ATOM 280 C HIS A 30 14.944 -5.160 46.724 1.00 27.68 C ATOM 281 O HIS A 30 14.056 -6.009 46.831 1.00 25.98 O ATOM 282 CB HIS A 30 16.529 -5.460 44.838 1.00 22.64 C ATOM 283 CG HIS A 30 17.942 -5.582 44.360 1.00 21.66 C ATOM 284 ND1 HIS A 30 18.694 -6.723 44.536 1.00 21.52 N ATOM 285 CD2 HIS A 30 18.732 -4.711 43.688 1.00 20.04 C ATOM 286 CE1 HIS A 30 19.890 -6.546 44.004 1.00 20.75 C ATOM 287 NE2 HIS A 30 19.938 -5.334 43.481 1.00 25.16 N ATOM 288 H HIS A 30 16.095 -7.688 46.515 1.00 0.00 H ATOM 289 N ASP A 31 14.739 -3.859 46.909 1.00 24.49 N ATOM 290 CA ASP A 31 13.415 -3.254 46.916 1.00 20.97 C ATOM 291 C ASP A 31 13.263 -2.469 45.623 1.00 24.37 C ATOM 292 O ASP A 31 14.173 -1.726 45.240 1.00 21.82 O ATOM 293 CB ASP A 31 13.222 -2.320 48.114 1.00 31.35 C ATOM 294 CG ASP A 31 13.192 -3.056 49.437 1.00 29.70 C ATOM 295 OD1 ASP A 31 12.873 -4.263 49.448 1.00 26.51 O ATOM 296 OD2 ASP A 31 13.484 -2.419 50.472 1.00 34.41 O ATOM 297 H ASP A 31 15.565 -3.244 47.056 1.00 0.00 H ATOM 298 N TRP A 32 12.134 -2.636 44.941 1.00 23.26 N ATOM 299 CA TRP A 32 11.920 -1.859 43.731 1.00 17.44 C ATOM 300 C TRP A 32 10.473 -1.404 43.629 1.00 19.24 C ATOM 301 O TRP A 32 9.579 -1.902 44.318 1.00 20.89 O ATOM 302 CB TRP A 32 12.344 -2.618 42.458 1.00 20.59 C ATOM 303 CG TRP A 32 11.752 -3.982 42.225 1.00 21.71 C ATOM 304 CD1 TRP A 32 12.379 -5.182 42.397 1.00 25.69 C ATOM 305 CD2 TRP A 32 10.446 -4.285 41.712 1.00 27.66 C ATOM 306 NE1 TRP A 32 11.539 -6.212 42.051 1.00 22.08 N ATOM 307 CE2 TRP A 32 10.346 -5.689 41.628 1.00 26.45 C ATOM 308 CE3 TRP A 32 9.347 -3.507 41.332 1.00 22.18 C ATOM 309 CZ2 TRP A 32 9.193 -6.331 41.178 1.00 28.10 C ATOM 310 CZ3 TRP A 32 8.202 -4.147 40.888 1.00 24.17 C ATOM 311 CH2 TRP A 32 8.135 -5.545 40.815 1.00 24.27 C ATOM 312 HE1 TRP A 32 11.771 -7.224 42.102 1.00 0.00 H ATOM 313 H TRP A 32 11.415 -3.312 45.268 1.00 0.00 H ATOM 314 N MET A 33 10.275 -0.419 42.757 1.00 18.31 N ATOM 315 CA MET A 33 8.985 0.191 42.484 1.00 19.80 C ATOM 316 C MET A 33 8.954 0.530 41.005 1.00 15.09 C ATOM 317 O MET A 33 9.911 1.112 40.492 1.00 18.33 O ATOM 318 CB MET A 33 8.779 1.454 43.332 1.00 21.35 C ATOM 319 CG MET A 33 7.424 2.124 43.161 1.00 24.43 C ATOM 320 SD MET A 33 7.332 3.269 41.771 1.00 24.81 S ATOM 321 CE MET A 33 8.494 4.530 42.283 1.00 29.35 C ATOM 322 H MET A 33 11.100 -0.061 42.235 1.00 0.00 H ATOM 323 N VAL A 34 7.874 0.160 40.325 1.00 19.81 N ATOM 324 CA VAL A 34 7.703 0.421 38.901 1.00 15.94 C ATOM 325 C VAL A 34 6.421 1.223 38.727 1.00 20.14 C ATOM 326 O VAL A 34 5.470 1.058 39.496 1.00 22.01 O ATOM 327 CB VAL A 34 7.667 -0.896 38.090 1.00 16.50 C ATOM 328 CG1 VAL A 34 6.525 -1.786 38.565 1.00 21.00 C ATOM 329 CG2 VAL A 34 7.563 -0.621 36.597 1.00 17.46 C ATOM 330 H VAL A 34 7.115 -0.339 40.832 1.00 0.00 H ATOM 331 N PHE A 35 6.394 2.107 37.729 1.00 18.26 N ATOM 332 CA PHE A 35 5.273 3.032 37.628 1.00 17.21 C ATOM 333 C PHE A 35 4.985 3.408 36.182 1.00 18.67 C ATOM 334 O PHE A 35 5.844 3.316 35.301 1.00 16.52 O ATOM 335 CB PHE A 35 5.527 4.304 38.447 1.00 18.63 C ATOM 336 CG PHE A 35 6.720 5.100 37.985 1.00 23.42 C ATOM 337 CD1 PHE A 35 6.599 6.038 36.970 1.00 21.42 C ATOM 338 CD2 PHE A 35 7.960 4.916 38.574 1.00 24.21 C ATOM 339 CE1 PHE A 35 7.692 6.770 36.547 1.00 25.56 C ATOM 340 CE2 PHE A 35 9.056 5.649 38.158 1.00 22.65 C ATOM 341 CZ PHE A 35 8.921 6.576 37.144 1.00 24.39 C ATOM 342 H PHE A 35 7.164 2.136 37.031 1.00 0.00 H ATOM 343 N VAL A 36 3.745 3.848 35.965 1.00 17.29 N ATOM 344 CA VAL A 36 3.311 4.526 34.750 1.00 21.15 C ATOM 345 C VAL A 36 2.631 5.820 35.172 1.00 19.30 C ATOM 346 O VAL A 36 1.753 5.807 36.042 1.00 19.68 O ATOM 347 CB VAL A 36 2.349 3.661 33.912 1.00 18.78 C ATOM 348 CG1 VAL A 36 1.854 4.437 32.695 1.00 21.06 C ATOM 349 CG2 VAL A 36 3.020 2.363 33.490 1.00 18.61 C ATOM 350 H VAL A 36 3.039 3.697 36.714 1.00 0.00 H ATOM 351 N ARG A 37 3.034 6.933 34.565 1.00 19.06 N ATOM 352 CA ARG A 37 2.484 8.235 34.913 1.00 16.05 C ATOM 353 C ARG A 37 2.509 9.128 33.682 1.00 20.58 C ATOM 354 O ARG A 37 3.061 8.771 32.638 1.00 24.43 O ATOM 355 CB ARG A 37 3.273 8.886 36.054 1.00 12.74 C ATOM 356 CG ARG A 37 4.720 9.131 35.677 1.00 17.36 C ATOM 357 CD ARG A 37 5.556 9.720 36.799 1.00 23.25 C ATOM 358 NE ARG A 37 6.811 10.233 36.257 1.00 27.60 N ATOM 359 CZ ARG A 37 7.964 10.272 36.917 1.00 28.68 C ATOM 360 NH1 ARG A 37 9.046 10.755 36.322 1.00 30.35 N ATOM 361 NH2 ARG A 37 8.037 9.832 38.165 1.00 29.82 N ATOM 362 HE ARG A 37 6.802 10.595 35.282 1.00 0.00 H ATOM 363 HH12 ARG A 37 9.950 10.788 36.834 1.00 0.00 H ATOM 364 HH11 ARG A 37 8.990 11.101 35.343 1.00 0.00 H ATOM 365 HH22 ARG A 37 8.942 9.865 38.676 1.00 0.00 H ATOM 366 HH21 ARG A 37 7.189 9.453 38.633 1.00 0.00 H ATOM 367 H ARG A 37 3.760 6.871 33.823 1.00 0.00 H ATOM 368 N GLY A 38 1.901 10.302 33.817 1.00 22.61 N ATOM 369 CA GLY A 38 2.027 11.339 32.823 1.00 26.20 C ATOM 370 C GLY A 38 3.204 12.235 33.146 1.00 28.02 C ATOM 371 O GLY A 38 3.706 12.247 34.274 1.00 26.71 O ATOM 372 H GLY A 38 1.319 10.477 34.661 1.00 0.00 H ATOM 373 N PRO A 39 3.680 12.995 32.163 1.00 26.64 N ATOM 374 CA PRO A 39 4.814 13.888 32.420 1.00 30.79 C ATOM 375 C PRO A 39 4.392 15.109 33.223 1.00 30.92 C ATOM 376 O PRO A 39 3.313 15.670 33.016 1.00 30.14 O ATOM 377 CB PRO A 39 5.285 14.278 31.015 1.00 30.49 C ATOM 378 CG PRO A 39 4.069 14.142 30.166 1.00 36.55 C ATOM 379 CD PRO A 39 3.272 13.005 30.747 1.00 25.83 C ATOM 380 N GLU A 40 5.258 15.506 34.158 1.00 26.06 N ATOM 381 CA GLU A 40 5.097 16.742 34.925 1.00 26.29 C ATOM 382 C GLU A 40 3.771 16.769 35.684 1.00 29.16 C ATOM 383 O GLU A 40 3.036 17.759 35.661 1.00 28.94 O ATOM 384 CB GLU A 40 5.230 17.969 34.020 1.00 34.42 C ATOM 385 CG GLU A 40 6.652 18.273 33.585 1.00 36.52 C ATOM 386 CD GLU A 40 6.705 19.264 32.441 1.00 59.58 C ATOM 387 OE1 GLU A 40 7.150 18.880 31.339 1.00 61.48 O ATOM 388 OE2 GLU A 40 6.296 20.427 32.642 1.00 56.85 O ATOM 389 H GLU A 40 6.087 14.908 34.351 1.00 0.00 H ATOM 390 N HIS A 41 3.465 15.659 36.357 1.00 23.81 N ATOM 391 CA HIS A 41 2.299 15.541 37.231 1.00 22.13 C ATOM 392 C HIS A 41 0.985 15.725 36.482 1.00 31.61 C ATOM 393 O HIS A 41 -0.025 16.115 37.079 1.00 27.26 O ATOM 394 CB HIS A 41 2.390 16.529 38.399 1.00 31.77 C ATOM 395 CG HIS A 41 3.714 16.506 39.094 1.00 32.84 C ATOM 396 ND1 HIS A 41 4.139 15.431 39.844 1.00 44.08 N ATOM 397 CD2 HIS A 41 4.717 17.414 39.136 1.00 38.78 C ATOM 398 CE1 HIS A 41 5.342 15.683 40.328 1.00 42.41 C ATOM 399 NE2 HIS A 41 5.716 16.879 39.913 1.00 37.89 N ATOM 400 H HIS A 41 4.089 14.833 36.255 1.00 0.00 H ATOM 401 N SER A 42 0.978 15.450 35.182 1.00 27.81 N ATOM 402 CA SER A 42 -0.258 15.505 34.420 1.00 30.39 C ATOM 403 C SER A 42 -1.162 14.337 34.793 1.00 30.14 C ATOM 404 O SER A 42 -0.702 13.259 35.179 1.00 28.95 O ATOM 405 CB SER A 42 0.032 15.489 32.920 1.00 26.58 C ATOM 406 OG SER A 42 0.898 14.422 32.580 1.00 27.89 O ATOM 407 HG SER A 42 1.754 14.525 33.068 1.00 0.00 H ATOM 408 H SER A 42 1.866 15.193 34.705 1.00 0.00 H ATOM 409 N ASN A 43 -2.464 14.569 34.678 1.00 24.61 N ATOM 410 CA ASN A 43 -3.483 13.589 35.036 1.00 21.21 C ATOM 411 C ASN A 43 -3.769 12.725 33.812 1.00 33.57 C ATOM 412 O ASN A 43 -4.336 13.208 32.829 1.00 28.88 O ATOM 413 CB ASN A 43 -4.738 14.313 35.521 1.00 24.85 C ATOM 414 CG ASN A 43 -5.843 13.371 35.971 1.00 31.06 C ATOM 415 OD1 ASN A 43 -5.839 12.179 35.666 1.00 44.96 O ATOM 416 ND2 ASN A 43 -6.809 13.917 36.699 1.00 42.24 N ATOM 417 HD22 ASN A 43 -6.774 14.929 36.934 1.00 0.00 H ATOM 418 HD21 ASN A 43 -7.601 13.332 37.034 1.00 0.00 H ATOM 419 H ASN A 43 -2.772 15.494 34.315 1.00 0.00 H ATOM 420 N ILE A 44 -3.383 11.448 33.865 1.00 19.67 N ATOM 421 CA ILE A 44 -3.726 10.520 32.789 1.00 19.19 C ATOM 422 C ILE A 44 -4.962 9.689 33.103 1.00 21.53 C ATOM 423 O ILE A 44 -5.446 8.968 32.215 1.00 21.09 O ATOM 424 CB ILE A 44 -2.547 9.587 32.431 1.00 22.95 C ATOM 425 CG1 ILE A 44 -2.182 8.677 33.607 1.00 22.91 C ATOM 426 CG2 ILE A 44 -1.344 10.396 31.969 1.00 20.61 C ATOM 427 CD1 ILE A 44 -1.067 7.699 33.287 1.00 26.55 C ATOM 428 H ILE A 44 -2.833 11.110 34.680 1.00 0.00 H ATOM 429 N GLN A 45 -5.500 9.774 34.325 1.00 23.67 N ATOM 430 CA GLN A 45 -6.729 9.054 34.643 1.00 23.88 C ATOM 431 C GLN A 45 -7.897 9.496 33.770 1.00 24.55 C ATOM 432 O GLN A 45 -8.853 8.730 33.600 1.00 23.15 O ATOM 433 CB GLN A 45 -7.090 9.230 36.122 1.00 24.02 C ATOM 434 CG GLN A 45 -8.363 8.491 36.530 1.00 25.95 C ATOM 435 CD GLN A 45 -8.422 8.160 38.003 1.00 28.17 C ATOM 436 OE1 GLN A 45 -8.151 9.006 38.854 1.00 24.37 O ATOM 437 NE2 GLN A 45 -8.781 6.919 38.315 1.00 26.84 N ATOM 438 HE22 GLN A 45 -9.001 6.236 37.562 1.00 0.00 H ATOM 439 HE21 GLN A 45 -8.842 6.630 39.312 1.00 0.00 H ATOM 440 H GLN A 45 -5.040 10.357 35.053 1.00 0.00 H ATOM 441 N HIS A 46 -7.839 10.707 33.207 1.00 22.25 N ATOM 442 CA HIS A 46 -8.900 11.165 32.315 1.00 23.89 C ATOM 443 C HIS A 46 -9.165 10.160 31.201 1.00 25.94 C ATOM 444 O HIS A 46 -10.319 9.939 30.816 1.00 22.08 O ATOM 445 CB HIS A 46 -8.542 12.528 31.718 1.00 26.76 C ATOM 446 CG HIS A 46 -8.590 13.657 32.699 1.00 27.46 C ATOM 447 ND1 HIS A 46 -9.715 13.959 33.437 1.00 35.87 N ATOM 448 CD2 HIS A 46 -7.654 14.569 33.053 1.00 26.15 C ATOM 449 CE1 HIS A 46 -9.466 15.002 34.209 1.00 30.32 C ATOM 450 NE2 HIS A 46 -8.223 15.392 33.994 1.00 32.01 N ATOM 451 H HIS A 46 -7.030 11.329 33.406 1.00 0.00 H ATOM 452 N PHE A 47 -8.098 9.563 30.697 1.00 21.69 N ATOM 453 CA PHE A 47 -8.191 8.596 29.622 1.00 27.42 C ATOM 454 C PHE A 47 -7.750 7.155 29.857 1.00 24.41 C ATOM 455 O PHE A 47 -7.937 6.343 29.002 1.00 22.90 O ATOM 456 CB PHE A 47 -7.522 9.134 28.370 1.00 25.74 C ATOM 457 CG PHE A 47 -6.058 9.359 28.497 1.00 23.07 C ATOM 458 CD1 PHE A 47 -5.182 8.380 28.225 1.00 26.31 C ATOM 459 CD2 PHE A 47 -5.588 10.560 28.864 1.00 24.88 C ATOM 460 CE1 PHE A 47 -3.856 8.583 28.323 1.00 24.49 C ATOM 461 CE2 PHE A 47 -4.268 10.782 28.945 1.00 25.48 C ATOM 462 CZ PHE A 47 -3.406 9.788 28.696 1.00 25.14 C ATOM 463 H PHE A 47 -7.161 9.795 31.085 1.00 0.00 H ATOM 464 N VAL A 48 -7.169 6.879 31.011 1.00 21.50 N ATOM 465 CA VAL A 48 -6.739 5.570 31.376 1.00 22.73 C ATOM 466 C VAL A 48 -7.758 4.909 32.306 1.00 28.08 C ATOM 467 O VAL A 48 -8.113 5.452 33.296 1.00 22.05 O ATOM 468 CB VAL A 48 -5.374 5.577 32.074 1.00 24.95 C ATOM 469 CG1 VAL A 48 -4.979 4.188 32.539 1.00 21.56 C ATOM 470 CG2 VAL A 48 -4.321 6.192 31.217 1.00 24.14 C ATOM 471 H VAL A 48 -7.018 7.655 31.686 1.00 0.00 H ATOM 472 N GLU A 49 -8.187 3.728 31.925 1.00 20.68 N ATOM 473 CA GLU A 49 -9.100 2.959 32.685 1.00 25.16 C ATOM 474 C GLU A 49 -8.338 2.276 33.791 1.00 20.35 C ATOM 475 O GLU A 49 -8.709 2.355 34.877 1.00 28.40 O ATOM 476 CB GLU A 49 -9.778 1.926 31.803 1.00 27.70 C ATOM 477 CG GLU A 49 -10.784 1.040 32.463 1.00 27.13 C ATOM 478 CD GLU A 49 -11.046 -0.240 31.667 1.00 44.85 C ATOM 479 OE1 GLU A 49 -11.110 -0.220 30.450 1.00 48.86 O ATOM 480 OE2 GLU A 49 -11.179 -1.288 32.249 1.00 50.85 O ATOM 481 H GLU A 49 -7.840 3.340 31.024 1.00 0.00 H ATOM 482 N LYS A 50 -7.259 1.612 33.449 1.00 20.64 N ATOM 483 CA LYS A 50 -6.444 0.870 34.399 1.00 24.41 C ATOM 484 C LYS A 50 -5.093 0.578 33.802 1.00 18.44 C ATOM 485 O LYS A 50 -4.958 0.654 32.651 1.00 20.32 O ATOM 486 CB LYS A 50 -7.112 -0.402 34.812 1.00 19.57 C ATOM 487 CG LYS A 50 -7.480 -1.285 33.666 1.00 22.50 C ATOM 488 CD LYS A 50 -8.220 -2.527 34.077 1.00 26.89 C ATOM 489 CE LYS A 50 -8.503 -3.393 32.885 1.00 29.61 C ATOM 490 NZ LYS A 50 -9.165 -4.648 33.187 1.00 31.57 N ATOM 491 HZ1 LYS A 50 -8.568 -5.207 33.829 1.00 0.00 H ATOM 492 HZ2 LYS A 50 -10.080 -4.455 33.642 1.00 0.00 H ATOM 493 HZ3 LYS A 50 -9.319 -5.178 32.306 1.00 0.00 H ATOM 494 H LYS A 50 -6.972 1.616 32.449 1.00 0.00 H ATOM 495 N VAL A 51 -4.133 0.257 34.648 1.00 19.10 N ATOM 496 CA VAL A 51 -2.799 -0.163 34.234 1.00 17.95 C ATOM 497 C VAL A 51 -2.540 -1.525 34.860 1.00 24.55 C ATOM 498 O VAL A 51 -2.643 -1.679 36.084 1.00 23.90 O ATOM 499 CB VAL A 51 -1.721 0.853 34.644 1.00 15.64 C ATOM 500 CG1 VAL A 51 -0.339 0.347 34.256 1.00 18.20 C ATOM 501 CG2 VAL A 51 -1.993 2.205 34.001 1.00 20.40 C ATOM 502 H VAL A 51 -4.339 0.306 35.666 1.00 0.00 H ATOM 503 N VAL A 52 -2.222 -2.511 34.026 1.00 20.31 N ATOM 504 CA VAL A 52 -1.993 -3.882 34.470 1.00 19.39 C ATOM 505 C VAL A 52 -0.502 -4.173 34.370 1.00 19.42 C ATOM 506 O VAL A 52 0.078 -4.112 33.279 1.00 21.21 O ATOM 507 CB VAL A 52 -2.805 -4.891 33.644 1.00 25.03 C ATOM 508 CG1 VAL A 52 -2.552 -6.306 34.144 1.00 22.82 C ATOM 509 CG2 VAL A 52 -4.288 -4.556 33.698 1.00 26.38 C ATOM 510 H VAL A 52 -2.133 -2.295 33.013 1.00 0.00 H ATOM 511 N PHE A 53 0.114 -4.492 35.506 1.00 18.16 N ATOM 512 CA PHE A 53 1.515 -4.889 35.564 1.00 19.28 C ATOM 513 C PHE A 53 1.588 -6.410 35.651 1.00 26.88 C ATOM 514 O PHE A 53 1.088 -7.002 36.613 1.00 24.54 O ATOM 515 CB PHE A 53 2.221 -4.260 36.767 1.00 19.01 C ATOM 516 CG PHE A 53 2.190 -2.754 36.787 1.00 18.29 C ATOM 517 CD1 PHE A 53 1.107 -2.074 37.323 1.00 17.65 C ATOM 518 CD2 PHE A 53 3.260 -2.019 36.301 1.00 14.75 C ATOM 519 CE1 PHE A 53 1.085 -0.690 37.358 1.00 16.60 C ATOM 520 CE2 PHE A 53 3.243 -0.636 36.332 1.00 17.86 C ATOM 521 CZ PHE A 53 2.154 0.029 36.862 1.00 19.37 C ATOM 522 H PHE A 53 -0.429 -4.456 36.392 1.00 0.00 H ATOM 523 N HIS A 54 2.211 -7.038 34.655 1.00 23.62 N ATOM 524 CA HIS A 54 2.350 -8.494 34.610 1.00 21.58 C ATOM 525 C HIS A 54 3.725 -8.865 35.156 1.00 23.16 C ATOM 526 O HIS A 54 4.722 -8.839 34.431 1.00 20.08 O ATOM 527 CB HIS A 54 2.151 -9.015 33.190 1.00 20.98 C ATOM 528 CG HIS A 54 0.785 -8.752 32.640 1.00 24.29 C ATOM 529 ND1 HIS A 54 -0.296 -9.562 32.912 1.00 24.71 N ATOM 530 CD2 HIS A 54 0.322 -7.763 31.839 1.00 21.75 C ATOM 531 CE1 HIS A 54 -1.366 -9.086 32.300 1.00 25.51 C ATOM 532 NE2 HIS A 54 -1.018 -7.995 31.642 1.00 27.33 N ATOM 533 H HIS A 54 2.614 -6.472 33.881 1.00 0.00 H ATOM 534 N LEU A 55 3.773 -9.215 36.438 1.00 25.75 N ATOM 535 CA LEU A 55 5.027 -9.578 37.076 1.00 23.90 C ATOM 536 C LEU A 55 5.457 -10.982 36.662 1.00 24.80 C ATOM 537 O LEU A 55 4.664 -11.783 36.159 1.00 24.69 O ATOM 538 CB LEU A 55 4.905 -9.510 38.599 1.00 21.20 C ATOM 539 CG LEU A 55 4.557 -8.169 39.244 1.00 28.41 C ATOM 540 CD1 LEU A 55 4.915 -8.194 40.722 1.00 26.16 C ATOM 541 CD2 LEU A 55 5.263 -7.026 38.541 1.00 23.39 C ATOM 542 H LEU A 55 2.895 -9.229 36.995 1.00 0.00 H ATOM 543 N HIS A 56 6.737 -11.271 36.887 1.00 23.74 N ATOM 544 CA HIS A 56 7.264 -12.601 36.619 1.00 27.18 C ATOM 545 C HIS A 56 6.501 -13.643 37.428 1.00 26.94 C ATOM 546 O HIS A 56 6.073 -13.395 38.558 1.00 26.19 O ATOM 547 CB HIS A 56 8.755 -12.662 36.950 1.00 27.48 C ATOM 548 CG HIS A 56 9.444 -13.872 36.403 1.00 33.94 C ATOM 549 ND1 HIS A 56 9.765 -14.962 37.183 1.00 31.04 N ATOM 550 CD2 HIS A 56 9.868 -14.167 35.151 1.00 31.84 C ATOM 551 CE1 HIS A 56 10.360 -15.875 36.436 1.00 32.13 C ATOM 552 NE2 HIS A 56 10.435 -15.418 35.200 1.00 34.82 N ATOM 553 H HIS A 56 7.370 -10.535 37.260 1.00 0.00 H ATOM 554 N GLU A 57 6.335 -14.827 36.832 1.00 25.19 N ATOM 555 CA GLU A 57 5.505 -15.861 37.441 1.00 26.18 C ATOM 556 C GLU A 57 6.032 -16.316 38.796 1.00 26.20 C ATOM 557 O GLU A 57 5.283 -16.934 39.561 1.00 27.02 O ATOM 558 CB GLU A 57 5.379 -17.057 36.495 1.00 35.94 C ATOM 559 CG GLU A 57 6.653 -17.865 36.324 1.00 32.89 C ATOM 560 CD GLU A 57 6.410 -19.167 35.586 1.00 54.97 C ATOM 561 OE1 GLU A 57 5.260 -19.401 35.159 1.00 51.40 O ATOM 562 OE2 GLU A 57 7.367 -19.955 35.432 1.00 55.75 O ATOM 563 H GLU A 57 6.803 -15.014 35.922 1.00 0.00 H ATOM 564 N SER A 58 7.295 -16.024 39.116 1.00 27.97 N ATOM 565 CA SER A 58 7.807 -16.337 40.445 1.00 27.17 C ATOM 566 C SER A 58 7.147 -15.496 41.529 1.00 31.49 C ATOM 567 O SER A 58 7.192 -15.875 42.704 1.00 29.43 O ATOM 568 CB SER A 58 9.325 -16.147 40.489 1.00 28.06 C ATOM 569 OG SER A 58 9.691 -14.837 40.096 1.00 27.97 O ATOM 570 HG SER A 58 9.379 -14.672 39.171 1.00 0.00 H ATOM 571 H SER A 58 7.916 -15.572 38.415 1.00 0.00 H ATOM 572 N PHE A 59 6.535 -14.372 41.167 1.00 23.53 N ATOM 573 CA PHE A 59 5.843 -13.580 42.172 1.00 21.11 C ATOM 574 C PHE A 59 4.452 -14.155 42.427 1.00 28.79 C ATOM 575 O PHE A 59 3.750 -14.525 41.482 1.00 32.35 O ATOM 576 CB PHE A 59 5.723 -12.125 41.729 1.00 26.24 C ATOM 577 CG PHE A 59 7.002 -11.353 41.837 1.00 24.86 C ATOM 578 CD1 PHE A 59 7.359 -10.738 43.025 1.00 26.00 C ATOM 579 CD2 PHE A 59 7.851 -11.245 40.749 1.00 19.67 C ATOM 580 CE1 PHE A 59 8.539 -10.027 43.125 1.00 24.59 C ATOM 581 CE2 PHE A 59 9.030 -10.536 40.842 1.00 23.94 C ATOM 582 CZ PHE A 59 9.375 -9.925 42.032 1.00 21.43 C ATOM 583 H PHE A 59 6.551 -14.062 40.174 1.00 0.00 H ATOM 584 N PRO A 60 4.038 -14.251 43.688 1.00 37.81 N ATOM 585 CA PRO A 60 2.657 -14.653 43.974 1.00 38.41 C ATOM 586 C PRO A 60 1.680 -13.634 43.411 1.00 40.16 C ATOM 587 O PRO A 60 1.873 -12.424 43.547 1.00 34.17 O ATOM 588 CB PRO A 60 2.608 -14.697 45.506 1.00 43.44 C ATOM 589 CG PRO A 60 3.735 -13.817 45.950 1.00 35.24 C ATOM 590 CD PRO A 60 4.806 -13.984 44.915 1.00 34.41 C ATOM 591 N ARG A 61 0.632 -14.140 42.759 1.00 38.51 N ATOM 592 CA ARG A 61 -0.410 -13.302 42.179 1.00 43.64 C ATOM 593 C ARG A 61 0.191 -12.277 41.219 1.00 33.66 C ATOM 594 O ARG A 61 0.033 -11.067 41.430 1.00 32.02 O ATOM 595 CB ARG A 61 -1.190 -12.593 43.287 1.00 45.62 C ATOM 596 CG ARG A 61 -1.766 -13.493 44.381 1.00 61.76 C ATOM 597 CD ARG A 61 -3.032 -12.828 44.874 1.00 61.74 C ATOM 598 NE ARG A 61 -3.617 -13.280 46.140 1.00 80.46 N ATOM 599 CZ ARG A 61 -4.063 -14.506 46.406 1.00 71.15 C ATOM 600 NH1 ARG A 61 -4.598 -14.764 47.591 1.00 65.99 N ATOM 601 NH2 ARG A 61 -3.961 -15.481 45.517 1.00 73.25 N ATOM 602 HE ARG A 61 -3.691 -12.576 46.902 1.00 0.00 H ATOM 603 HH12 ARG A 61 -4.949 -15.719 47.806 1.00 0.00 H ATOM 604 HH11 ARG A 61 -4.667 -14.011 48.305 1.00 0.00 H ATOM 605 HH22 ARG A 61 -4.316 -16.432 45.745 1.00 0.00 H ATOM 606 HH21 ARG A 61 -3.526 -15.297 44.591 1.00 0.00 H ATOM 607 H ARG A 61 0.555 -15.173 42.661 1.00 0.00 H ATOM 608 N PRO A 62 0.869 -12.713 40.151 1.00 27.87 N ATOM 609 CA PRO A 62 1.702 -11.775 39.376 1.00 30.47 C ATOM 610 C PRO A 62 0.929 -10.710 38.610 1.00 34.10 C ATOM 611 O PRO A 62 1.547 -9.732 38.171 1.00 28.00 O ATOM 612 CB PRO A 62 2.465 -12.698 38.417 1.00 31.21 C ATOM 613 CG PRO A 62 1.595 -13.902 38.289 1.00 32.92 C ATOM 614 CD PRO A 62 0.974 -14.091 39.640 1.00 34.46 C ATOM 615 N LYS A 63 -0.380 -10.854 38.422 1.00 27.77 N ATOM 616 CA LYS A 63 -1.161 -9.854 37.699 1.00 30.30 C ATOM 617 C LYS A 63 -1.608 -8.777 38.681 1.00 27.49 C ATOM 618 O LYS A 63 -2.520 -8.998 39.485 1.00 35.62 O ATOM 619 CB LYS A 63 -2.357 -10.489 36.998 1.00 30.89 C ATOM 620 CG LYS A 63 -2.968 -9.599 35.930 1.00 28.60 C ATOM 621 CD LYS A 63 -4.040 -10.330 35.149 1.00 39.07 C ATOM 622 CE LYS A 63 -5.418 -10.027 35.708 1.00 49.64 C ATOM 623 NZ LYS A 63 -6.379 -9.677 34.627 1.00 46.73 N ATOM 624 HZ1 LYS A 63 -6.037 -8.836 34.119 1.00 0.00 H ATOM 625 HZ2 LYS A 63 -6.459 -10.475 33.965 1.00 0.00 H ATOM 626 HZ3 LYS A 63 -7.310 -9.476 35.044 1.00 0.00 H ATOM 627 H LYS A 63 -0.858 -11.698 38.798 1.00 0.00 H ATOM 628 N ARG A 64 -0.972 -7.612 38.612 1.00 26.57 N ATOM 629 CA ARG A 64 -1.238 -6.506 39.524 1.00 23.93 C ATOM 630 C ARG A 64 -1.973 -5.407 38.768 1.00 25.74 C ATOM 631 O ARG A 64 -1.424 -4.823 37.827 1.00 24.66 O ATOM 632 CB ARG A 64 0.063 -5.982 40.130 1.00 23.96 C ATOM 633 CG ARG A 64 0.943 -7.071 40.732 1.00 23.30 C ATOM 634 CD ARG A 64 0.299 -7.688 41.966 1.00 31.36 C ATOM 635 NE ARG A 64 1.095 -8.783 42.517 1.00 32.59 N ATOM 636 CZ ARG A 64 2.170 -8.617 43.282 1.00 24.76 C ATOM 637 NH1 ARG A 64 2.831 -9.672 43.737 1.00 29.90 N ATOM 638 NH2 ARG A 64 2.585 -7.397 43.592 1.00 27.99 N ATOM 639 HE ARG A 64 0.801 -9.756 42.296 1.00 0.00 H ATOM 640 HH12 ARG A 64 3.672 -9.541 44.335 1.00 0.00 H ATOM 641 HH11 ARG A 64 2.509 -10.631 43.496 1.00 0.00 H ATOM 642 HH22 ARG A 64 3.426 -7.270 44.190 1.00 0.00 H ATOM 643 HH21 ARG A 64 2.070 -6.566 43.237 1.00 0.00 H ATOM 644 H ARG A 64 -0.251 -7.483 37.873 1.00 0.00 H ATOM 645 N VAL A 65 -3.206 -5.126 39.183 1.00 24.21 N ATOM 646 CA VAL A 65 -4.082 -4.183 38.496 1.00 27.94 C ATOM 647 C VAL A 65 -4.183 -2.909 39.323 1.00 27.13 C ATOM 648 O VAL A 65 -4.476 -2.960 40.524 1.00 25.76 O ATOM 649 CB VAL A 65 -5.476 -4.788 38.251 1.00 22.63 C ATOM 650 CG1 VAL A 65 -6.400 -3.756 37.621 1.00 22.82 C ATOM 651 CG2 VAL A 65 -5.370 -6.024 37.372 1.00 29.20 C ATOM 652 H VAL A 65 -3.562 -5.601 40.037 1.00 0.00 H ATOM 653 N CYS A 66 -3.945 -1.769 38.677 1.00 20.92 N ATOM 654 CA CYS A 66 -4.107 -0.450 39.280 1.00 21.69 C ATOM 655 C CYS A 66 -5.228 0.271 38.540 1.00 30.81 C ATOM 656 O CYS A 66 -5.063 0.653 37.377 1.00 21.17 O ATOM 657 CB CYS A 66 -2.809 0.352 39.209 1.00 26.43 C ATOM 658 SG CYS A 66 -1.447 -0.306 40.192 1.00 28.73 S ATOM 659 H CYS A 66 -3.626 -1.822 37.688 1.00 0.00 H ATOM 660 N LYS A 67 -6.364 0.453 39.210 1.00 26.00 N ATOM 661 CA LYS A 67 -7.491 1.160 38.618 1.00 30.32 C ATOM 662 C LYS A 67 -7.484 2.654 38.921 1.00 27.32 C ATOM 663 O LYS A 67 -8.271 3.394 38.321 1.00 26.61 O ATOM 664 CB LYS A 67 -8.814 0.545 39.095 1.00 30.22 C ATOM 665 CG LYS A 67 -9.061 -0.873 38.590 1.00 37.75 C ATOM 666 CD LYS A 67 -10.528 -1.267 38.715 1.00 47.07 C ATOM 667 CE LYS A 67 -10.687 -2.765 38.945 1.00 46.92 C ATOM 668 NZ LYS A 67 -11.297 -3.070 40.270 1.00 44.88 N ATOM 669 HZ1 LYS A 67 -10.691 -2.689 41.025 1.00 0.00 H ATOM 670 HZ2 LYS A 67 -12.239 -2.632 40.326 1.00 0.00 H ATOM 671 HZ3 LYS A 67 -11.385 -4.100 40.381 1.00 0.00 H ATOM 672 H LYS A 67 -6.448 0.082 40.178 1.00 0.00 H ATOM 673 N ASP A 68 -6.620 3.111 39.822 1.00 22.32 N ATOM 674 CA ASP A 68 -6.501 4.517 40.179 1.00 26.02 C ATOM 675 C ASP A 68 -5.032 4.874 40.341 1.00 23.01 C ATOM 676 O ASP A 68 -4.227 4.028 40.749 1.00 22.45 O ATOM 677 CB ASP A 68 -7.245 4.843 41.484 1.00 25.80 C ATOM 678 CG ASP A 68 -8.750 4.799 41.325 1.00 28.16 C ATOM 679 OD1 ASP A 68 -9.336 3.715 41.524 1.00 33.97 O ATOM 680 OD2 ASP A 68 -9.347 5.850 41.009 1.00 29.53 O ATOM 681 H ASP A 68 -5.996 2.428 40.297 1.00 0.00 H ATOM 682 N PRO A 69 -4.646 6.098 40.023 1.00 19.37 N ATOM 683 CA PRO A 69 -3.277 6.523 40.263 1.00 20.67 C ATOM 684 C PRO A 69 -2.986 6.578 41.778 1.00 24.90 C ATOM 685 O PRO A 69 -3.904 6.767 42.496 1.00 25.03 O ATOM 686 CB PRO A 69 -3.226 7.921 39.701 1.00 23.42 C ATOM 687 CG PRO A 69 -4.597 8.342 39.507 1.00 26.80 C ATOM 688 CD PRO A 69 -5.451 7.153 39.425 1.00 22.02 C ATOM 689 N PRO A 70 -1.699 6.411 42.303 1.00 19.62 N ATOM 690 CA PRO A 70 -0.655 6.163 41.310 1.00 20.67 C ATOM 691 C PRO A 70 -0.639 4.761 40.713 1.00 24.75 C ATOM 692 O PRO A 70 -0.909 3.830 41.378 1.00 23.26 O ATOM 693 CB PRO A 70 0.617 6.399 42.072 1.00 24.70 C ATOM 694 CG PRO A 70 0.323 5.893 43.379 1.00 23.50 C ATOM 695 CD PRO A 70 -1.002 6.392 43.680 1.00 21.01 C ATOM 696 N TYR A 71 -0.299 4.666 39.448 1.00 20.57 N ATOM 697 CA TYR A 71 -0.271 3.413 38.761 1.00 17.94 C ATOM 698 C TYR A 71 1.121 2.800 38.992 1.00 18.51 C ATOM 699 O TYR A 71 2.022 3.080 38.298 1.00 19.49 O ATOM 700 CB TYR A 71 -0.596 3.570 37.273 1.00 18.35 C ATOM 701 CG TYR A 71 -1.889 4.234 36.935 1.00 18.22 C ATOM 702 CD1 TYR A 71 -3.074 3.571 37.030 1.00 17.89 C ATOM 703 CD2 TYR A 71 -1.923 5.514 36.535 1.00 20.47 C ATOM 704 CE1 TYR A 71 -4.260 4.178 36.752 1.00 20.41 C ATOM 705 CE2 TYR A 71 -3.093 6.130 36.223 1.00 24.22 C ATOM 706 CZ TYR A 71 -4.262 5.450 36.323 1.00 25.34 C ATOM 707 OH TYR A 71 -5.390 6.075 36.045 1.00 22.91 O ATOM 708 HH TYR A 71 -6.149 5.451 36.163 1.00 0.00 H ATOM 709 H TYR A 71 -0.042 5.530 38.930 1.00 0.00 H ATOM 710 N LYS A 72 1.255 1.969 40.000 1.00 18.14 N ATOM 711 CA LYS A 72 2.554 1.468 40.403 1.00 20.87 C ATOM 712 C LYS A 72 2.487 0.178 41.220 1.00 18.12 C ATOM 713 O LYS A 72 1.489 -0.099 41.799 1.00 20.58 O ATOM 714 CB LYS A 72 3.275 2.506 41.217 1.00 22.73 C ATOM 715 CG LYS A 72 2.767 2.652 42.613 1.00 23.11 C ATOM 716 CD LYS A 72 3.352 3.824 43.333 1.00 29.53 C ATOM 717 CE LYS A 72 3.370 3.645 44.807 1.00 32.26 C ATOM 718 NZ LYS A 72 3.976 4.799 45.490 1.00 31.16 N ATOM 719 HZ1 LYS A 72 4.956 4.918 45.163 1.00 0.00 H ATOM 720 HZ2 LYS A 72 3.429 5.656 45.271 1.00 0.00 H ATOM 721 HZ3 LYS A 72 3.970 4.635 46.517 1.00 0.00 H ATOM 722 H LYS A 72 0.409 1.663 40.522 1.00 0.00 H ATOM 723 N VAL A 73 3.598 -0.516 41.283 1.00 15.13 N ATOM 724 CA VAL A 73 3.765 -1.671 42.121 1.00 21.80 C ATOM 725 C VAL A 73 5.077 -1.580 42.910 1.00 23.57 C ATOM 726 O VAL A 73 6.036 -1.275 42.326 1.00 18.65 O ATOM 727 CB VAL A 73 3.782 -2.918 41.242 1.00 26.82 C ATOM 728 CG1 VAL A 73 4.191 -4.134 41.998 1.00 27.45 C ATOM 729 CG2 VAL A 73 2.504 -3.056 40.473 1.00 20.21 C ATOM 730 H VAL A 73 4.401 -0.214 40.695 1.00 0.00 H ATOM 731 N GLU A 74 5.070 -1.824 44.228 1.00 26.67 N ATOM 732 CA GLU A 74 6.300 -1.890 45.001 1.00 24.44 C ATOM 733 C GLU A 74 6.516 -3.330 45.435 1.00 15.97 C ATOM 734 O GLU A 74 5.583 -3.984 45.913 1.00 22.78 O ATOM 735 CB GLU A 74 6.225 -0.965 46.217 1.00 23.18 C ATOM 736 CG GLU A 74 5.973 0.485 45.848 1.00 27.80 C ATOM 737 CD GLU A 74 5.620 1.351 47.037 1.00 46.65 C ATOM 738 OE1 GLU A 74 6.530 2.007 47.584 1.00 41.04 O ATOM 739 OE2 GLU A 74 4.430 1.385 47.416 1.00 50.24 O ATOM 740 H GLU A 74 4.160 -1.970 44.711 1.00 0.00 H ATOM 741 N GLU A 75 7.735 -3.827 45.255 1.00 23.79 N ATOM 742 CA GLU A 75 8.020 -5.220 45.551 1.00 28.43 C ATOM 743 C GLU A 75 9.457 -5.358 46.024 1.00 29.37 C ATOM 744 O GLU A 75 10.272 -4.440 45.900 1.00 24.15 O ATOM 745 CB GLU A 75 7.777 -6.114 44.329 1.00 22.80 C ATOM 746 CG GLU A 75 6.379 -6.703 44.240 1.00 24.97 C ATOM 747 CD GLU A 75 6.116 -7.766 45.291 1.00 36.68 C ATOM 748 OE1 GLU A 75 7.050 -8.122 46.041 1.00 30.83 O ATOM 749 OE2 GLU A 75 4.968 -8.251 45.366 1.00 30.44 O ATOM 750 H GLU A 75 8.494 -3.212 44.898 1.00 0.00 H ATOM 751 N SER A 76 9.753 -6.528 46.579 1.00 23.47 N ATOM 752 CA SER A 76 11.111 -6.946 46.880 1.00 21.90 C ATOM 753 C SER A 76 11.430 -8.175 46.044 1.00 25.61 C ATOM 754 O SER A 76 10.568 -9.035 45.838 1.00 24.16 O ATOM 755 CB SER A 76 11.288 -7.245 48.372 1.00 32.64 C ATOM 756 OG SER A 76 11.073 -6.079 49.151 1.00 28.67 O ATOM 757 HG SER A 76 11.724 -5.382 48.886 1.00 0.00 H ATOM 758 H SER A 76 8.974 -7.177 46.809 1.00 0.00 H ATOM 759 N GLY A 77 12.660 -8.250 45.550 1.00 23.55 N ATOM 760 CA GLY A 77 13.018 -9.319 44.647 1.00 22.56 C ATOM 761 C GLY A 77 14.507 -9.576 44.629 1.00 30.75 C ATOM 762 O GLY A 77 15.272 -8.979 45.389 1.00 28.24 O ATOM 763 H GLY A 77 13.369 -7.536 45.814 1.00 0.00 H ATOM 764 N TYR A 78 14.912 -10.480 43.733 1.00 22.26 N ATOM 765 CA TYR A 78 16.303 -10.897 43.633 1.00 31.05 C ATOM 766 C TYR A 78 16.851 -10.926 42.213 1.00 26.21 C ATOM 767 O TYR A 78 18.065 -11.093 42.052 1.00 31.15 O ATOM 768 CB TYR A 78 16.490 -12.290 44.256 1.00 33.47 C ATOM 769 CG TYR A 78 15.547 -13.327 43.694 1.00 24.20 C ATOM 770 CD1 TYR A 78 15.837 -13.987 42.507 1.00 27.66 C ATOM 771 CD2 TYR A 78 14.359 -13.638 44.341 1.00 23.79 C ATOM 772 CE1 TYR A 78 14.977 -14.927 41.983 1.00 24.12 C ATOM 773 CE2 TYR A 78 13.494 -14.581 43.827 1.00 26.05 C ATOM 774 CZ TYR A 78 13.806 -15.220 42.646 1.00 25.11 C ATOM 775 OH TYR A 78 12.946 -16.159 42.128 1.00 28.21 O ATOM 776 HH TYR A 78 12.834 -16.896 42.779 1.00 0.00 H ATOM 777 H TYR A 78 14.212 -10.899 43.087 1.00 0.00 H ATOM 778 N ALA A 79 16.015 -10.781 41.187 1.00 27.06 N ATOM 779 CA ALA A 79 16.484 -10.833 39.810 1.00 25.92 C ATOM 780 C ALA A 79 15.679 -9.870 38.952 1.00 21.57 C ATOM 781 O ALA A 79 14.507 -9.600 39.224 1.00 23.59 O ATOM 782 CB ALA A 79 16.383 -12.252 39.230 1.00 24.13 C ATOM 783 H ALA A 79 15.004 -10.627 41.374 1.00 0.00 H ATOM 784 N GLY A 80 16.329 -9.351 37.909 1.00 20.25 N ATOM 785 CA GLY A 80 15.631 -8.552 36.928 1.00 18.08 C ATOM 786 C GLY A 80 14.853 -9.405 35.942 1.00 21.27 C ATOM 787 O GLY A 80 15.095 -10.602 35.794 1.00 25.81 O ATOM 788 H GLY A 80 17.349 -9.523 37.801 1.00 0.00 H ATOM 789 N PHE A 81 13.901 -8.776 35.255 1.00 23.43 N ATOM 790 CA PHE A 81 13.018 -9.521 34.364 1.00 22.39 C ATOM 791 C PHE A 81 12.258 -8.554 33.469 1.00 26.74 C ATOM 792 O PHE A 81 12.166 -7.356 33.754 1.00 19.06 O ATOM 793 CB PHE A 81 12.031 -10.391 35.152 1.00 21.05 C ATOM 794 CG PHE A 81 11.134 -9.608 36.070 1.00 23.48 C ATOM 795 CD1 PHE A 81 11.544 -9.285 37.354 1.00 25.86 C ATOM 796 CD2 PHE A 81 9.880 -9.194 35.649 1.00 18.53 C ATOM 797 CE1 PHE A 81 10.722 -8.565 38.201 1.00 22.65 C ATOM 798 CE2 PHE A 81 9.053 -8.473 36.490 1.00 21.21 C ATOM 799 CZ PHE A 81 9.474 -8.158 37.768 1.00 23.29 C ATOM 800 H PHE A 81 13.786 -7.747 35.354 1.00 0.00 H ATOM 801 N ILE A 82 11.701 -9.098 32.389 1.00 18.93 N ATOM 802 CA ILE A 82 10.807 -8.336 31.525 1.00 18.57 C ATOM 803 C ILE A 82 9.422 -8.311 32.154 1.00 19.85 C ATOM 804 O ILE A 82 8.890 -9.350 32.564 1.00 19.96 O ATOM 805 CB ILE A 82 10.762 -8.931 30.109 1.00 20.89 C ATOM 806 CG1 ILE A 82 12.173 -9.075 29.546 1.00 31.61 C ATOM 807 CG2 ILE A 82 9.925 -8.050 29.193 1.00 21.14 C ATOM 808 CD1 ILE A 82 12.859 -7.755 29.270 1.00 35.42 C ATOM 809 H ILE A 82 11.908 -10.090 32.156 1.00 0.00 H ATOM 810 N LEU A 83 8.836 -7.121 32.226 1.00 17.73 N ATOM 811 CA LEU A 83 7.555 -6.895 32.892 1.00 17.73 C ATOM 812 C LEU A 83 6.573 -6.316 31.885 1.00 20.34 C ATOM 813 O LEU A 83 6.577 -5.095 31.646 1.00 22.41 O ATOM 814 CB LEU A 83 7.739 -5.946 34.077 1.00 14.87 C ATOM 815 CG LEU A 83 6.719 -5.877 35.216 1.00 18.68 C ATOM 816 CD1 LEU A 83 7.285 -5.025 36.345 1.00 22.39 C ATOM 817 CD2 LEU A 83 5.382 -5.318 34.757 1.00 19.09 C ATOM 818 H LEU A 83 9.313 -6.309 31.786 1.00 0.00 H ATOM 819 N PRO A 84 5.725 -7.134 31.263 1.00 20.20 N ATOM 820 CA PRO A 84 4.718 -6.585 30.342 1.00 21.35 C ATOM 821 C PRO A 84 3.717 -5.707 31.081 1.00 21.48 C ATOM 822 O PRO A 84 3.151 -6.105 32.102 1.00 22.33 O ATOM 823 CB PRO A 84 4.052 -7.837 29.756 1.00 22.79 C ATOM 824 CG PRO A 84 5.083 -8.910 29.905 1.00 21.18 C ATOM 825 CD PRO A 84 5.772 -8.605 31.209 1.00 15.54 C ATOM 826 N ILE A 85 3.521 -4.515 30.568 1.00 20.82 N ATOM 827 CA ILE A 85 2.597 -3.543 31.101 1.00 25.40 C ATOM 828 C ILE A 85 1.500 -3.204 30.092 1.00 20.98 C ATOM 829 O ILE A 85 1.789 -2.916 29.011 1.00 24.06 O ATOM 830 CB ILE A 85 3.319 -2.263 31.501 1.00 20.60 C ATOM 831 CG1 ILE A 85 4.386 -2.542 32.538 1.00 19.05 C ATOM 832 CG2 ILE A 85 2.354 -1.246 32.007 1.00 19.30 C ATOM 833 CD1 ILE A 85 5.059 -1.313 33.063 1.00 20.28 C ATOM 834 H ILE A 85 4.067 -4.254 29.722 1.00 0.00 H ATOM 835 N GLU A 86 0.254 -3.298 30.492 1.00 19.19 N ATOM 836 CA GLU A 86 -0.864 -2.968 29.654 1.00 18.51 C ATOM 837 C GLU A 86 -1.576 -1.752 30.204 1.00 19.80 C ATOM 838 O GLU A 86 -2.000 -1.739 31.301 1.00 21.43 O ATOM 839 CB GLU A 86 -1.855 -4.115 29.530 1.00 25.75 C ATOM 840 CG GLU A 86 -1.316 -5.399 28.947 1.00 27.00 C ATOM 841 CD GLU A 86 -2.316 -6.523 28.946 1.00 37.88 C ATOM 842 OE1 GLU A 86 -2.604 -7.061 29.992 1.00 35.05 O ATOM 843 OE2 GLU A 86 -2.819 -6.826 27.887 1.00 38.94 O ATOM 844 H GLU A 86 0.068 -3.627 31.461 1.00 0.00 H ATOM 845 N VAL A 87 -1.675 -0.738 29.386 1.00 16.68 N ATOM 846 CA VAL A 87 -2.428 0.448 29.649 1.00 20.90 C ATOM 847 C VAL A 87 -3.744 0.438 28.887 1.00 22.59 C ATOM 848 O VAL A 87 -3.767 0.460 27.734 1.00 19.47 O ATOM 849 CB VAL A 87 -1.623 1.713 29.298 1.00 22.52 C ATOM 850 CG1 VAL A 87 -2.426 2.917 29.565 1.00 20.53 C ATOM 851 CG2 VAL A 87 -0.292 1.792 30.030 1.00 19.42 C ATOM 852 H VAL A 87 -1.170 -0.798 28.479 1.00 0.00 H ATOM 853 N TYR A 88 -4.821 0.353 29.622 1.00 24.39 N ATOM 854 CA TYR A 88 -6.169 0.286 29.100 1.00 23.50 C ATOM 855 C TYR A 88 -6.783 1.690 29.083 1.00 27.86 C ATOM 856 O TYR A 88 -6.660 2.421 30.035 1.00 21.15 O ATOM 857 CB TYR A 88 -7.022 -0.620 29.964 1.00 25.91 C ATOM 858 CG TYR A 88 -6.802 -2.082 29.821 1.00 24.06 C ATOM 859 CD1 TYR A 88 -5.752 -2.693 30.395 1.00 23.93 C ATOM 860 CD2 TYR A 88 -7.696 -2.849 29.146 1.00 32.42 C ATOM 861 CE1 TYR A 88 -5.566 -4.031 30.298 1.00 29.80 C ATOM 862 CE2 TYR A 88 -7.539 -4.190 29.027 1.00 34.03 C ATOM 863 CZ TYR A 88 -6.460 -4.782 29.603 1.00 34.77 C ATOM 864 OH TYR A 88 -6.314 -6.106 29.482 1.00 38.51 O ATOM 865 HH TYR A 88 -5.489 -6.390 29.950 1.00 0.00 H ATOM 866 H TYR A 88 -4.701 0.332 30.655 1.00 0.00 H ATOM 867 N PHE A 89 -7.425 2.008 27.970 1.00 22.12 N ATOM 868 CA PHE A 89 -8.021 3.290 27.719 1.00 22.03 C ATOM 869 C PHE A 89 -9.516 3.331 27.962 1.00 24.48 C ATOM 870 O PHE A 89 -10.175 2.363 27.832 1.00 27.49 O ATOM 871 CB PHE A 89 -7.748 3.746 26.311 1.00 22.10 C ATOM 872 CG PHE A 89 -6.322 3.688 25.937 1.00 24.30 C ATOM 873 CD1 PHE A 89 -5.411 4.413 26.613 1.00 23.89 C ATOM 874 CD2 PHE A 89 -5.905 2.903 24.933 1.00 26.32 C ATOM 875 CE1 PHE A 89 -4.080 4.372 26.297 1.00 27.67 C ATOM 876 CE2 PHE A 89 -4.590 2.861 24.592 1.00 27.57 C ATOM 877 CZ PHE A 89 -3.676 3.581 25.290 1.00 21.65 C ATOM 878 H PHE A 89 -7.503 1.282 27.229 1.00 0.00 H ATOM 879 N LYS A 90 -10.006 4.502 28.273 1.00 21.23 N ATOM 880 CA LYS A 90 -11.448 4.704 28.416 1.00 22.46 C ATOM 881 C LYS A 90 -12.075 4.953 27.043 1.00 26.14 C ATOM 882 O LYS A 90 -12.733 5.960 26.784 1.00 26.46 O ATOM 883 CB LYS A 90 -11.725 5.852 29.379 1.00 22.63 C ATOM 884 CG LYS A 90 -11.208 5.616 30.793 1.00 28.48 C ATOM 885 CD LYS A 90 -11.639 6.732 31.732 1.00 30.93 C ATOM 886 CE LYS A 90 -11.341 6.393 33.184 1.00 26.49 C ATOM 887 NZ LYS A 90 -11.473 7.587 34.065 1.00 30.18 N ATOM 888 HZ1 LYS A 90 -10.804 8.321 33.755 1.00 0.00 H ATOM 889 HZ2 LYS A 90 -12.444 7.954 34.006 1.00 0.00 H ATOM 890 HZ3 LYS A 90 -11.262 7.317 35.047 1.00 0.00 H ATOM 891 H LYS A 90 -9.360 5.304 28.421 1.00 0.00 H ATOM 892 N ASN A 91 -11.846 3.990 26.155 1.00 26.55 N ATOM 893 CA ASN A 91 -12.198 4.082 24.746 1.00 31.89 C ATOM 894 C ASN A 91 -13.140 2.942 24.389 1.00 44.86 C ATOM 895 O ASN A 91 -12.953 1.808 24.840 1.00 44.07 O ATOM 896 CB ASN A 91 -10.930 4.026 23.878 1.00 26.63 C ATOM 897 CG ASN A 91 -11.194 4.336 22.416 1.00 49.98 C ATOM 898 OD1 ASN A 91 -12.324 4.613 22.015 1.00 45.91 O ATOM 899 ND2 ASN A 91 -10.139 4.290 21.609 1.00 43.68 N ATOM 900 HD22 ASN A 91 -9.202 4.051 21.991 1.00 0.00 H ATOM 901 HD21 ASN A 91 -10.251 4.493 20.595 1.00 0.00 H ATOM 902 H ASN A 91 -11.387 3.118 26.488 1.00 0.00 H ATOM 903 N LYS A 92 -14.160 3.244 23.588 1.00 45.34 N ATOM 904 CA LYS A 92 -15.091 2.220 23.134 1.00 49.24 C ATOM 905 C LYS A 92 -14.712 1.636 21.780 1.00 47.92 C ATOM 906 O LYS A 92 -15.240 0.584 21.406 1.00 51.56 O ATOM 907 CB LYS A 92 -16.515 2.783 23.074 1.00 43.18 C ATOM 908 CG LYS A 92 -17.007 3.378 24.389 1.00 49.46 C ATOM 909 CD LYS A 92 -16.736 2.450 25.566 1.00 67.04 C ATOM 910 CE LYS A 92 -16.301 3.231 26.800 1.00 57.01 C ATOM 911 NZ LYS A 92 -17.449 3.571 27.687 1.00 57.08 N ATOM 912 HZ1 LYS A 92 -18.132 4.153 27.161 1.00 0.00 H ATOM 913 HZ2 LYS A 92 -17.911 2.695 28.005 1.00 0.00 H ATOM 914 HZ3 LYS A 92 -17.103 4.101 28.512 1.00 0.00 H ATOM 915 H LYS A 92 -14.294 4.229 23.281 1.00 0.00 H ATOM 916 N GLU A 93 -13.819 2.288 21.044 1.00 44.94 N ATOM 917 CA GLU A 93 -13.299 1.766 19.794 1.00 50.71 C ATOM 918 C GLU A 93 -11.893 1.217 20.018 1.00 47.53 C ATOM 919 O GLU A 93 -11.436 1.050 21.153 1.00 45.32 O ATOM 920 CB GLU A 93 -13.304 2.853 18.715 1.00 52.67 C ATOM 921 CG GLU A 93 -14.676 3.217 18.166 1.00 62.47 C ATOM 922 CD GLU A 93 -15.536 2.007 17.846 1.00 70.60 C ATOM 923 OE1 GLU A 93 -16.745 2.046 18.155 1.00 65.15 O ATOM 924 OE2 GLU A 93 -15.012 1.024 17.279 1.00 73.02 O ATOM 925 H GLU A 93 -13.478 3.212 21.378 1.00 0.00 H ATOM 926 N GLU A 94 -11.206 0.939 18.941 1.00 42.50 N ATOM 927 CA GLU A 94 -9.815 0.524 18.993 1.00 44.00 C ATOM 928 C GLU A 94 -8.898 1.739 18.881 1.00 47.09 C ATOM 929 O GLU A 94 -9.243 2.726 18.224 1.00 48.31 O ATOM 930 CB GLU A 94 -9.511 -0.458 17.864 1.00 52.02 C ATOM 931 CG GLU A 94 -10.488 -1.619 17.781 1.00 59.78 C ATOM 932 CD GLU A 94 -10.036 -2.821 18.586 1.00 65.36 C ATOM 933 OE1 GLU A 94 -9.353 -3.696 18.014 1.00 63.68 O ATOM 934 OE2 GLU A 94 -10.362 -2.889 19.790 1.00 63.44 O ATOM 935 H GLU A 94 -11.672 1.018 18.014 1.00 0.00 H ATOM 936 N PRO A 95 -7.724 1.710 19.531 1.00 43.50 N ATOM 937 CA PRO A 95 -7.269 0.603 20.376 1.00 43.99 C ATOM 938 C PRO A 95 -7.845 0.677 21.784 1.00 37.13 C ATOM 939 O PRO A 95 -8.018 1.768 22.326 1.00 33.64 O ATOM 940 CB PRO A 95 -5.754 0.786 20.395 1.00 39.24 C ATOM 941 CG PRO A 95 -5.570 2.262 20.287 1.00 34.48 C ATOM 942 CD PRO A 95 -6.727 2.794 19.467 1.00 49.56 C ATOM 943 N ARG A 96 -8.150 -0.483 22.364 1.00 27.78 N ATOM 944 CA ARG A 96 -8.655 -0.511 23.730 1.00 39.76 C ATOM 945 C ARG A 96 -7.528 -0.442 24.750 1.00 26.17 C ATOM 946 O ARG A 96 -7.740 0.033 25.871 1.00 27.85 O ATOM 947 CB ARG A 96 -9.493 -1.769 23.953 1.00 41.49 C ATOM 948 CG ARG A 96 -10.946 -1.618 23.540 1.00 46.86 C ATOM 949 CD ARG A 96 -11.778 -1.056 24.677 1.00 52.75 C ATOM 950 NE ARG A 96 -11.776 -1.933 25.844 1.00 54.07 N ATOM 951 CZ ARG A 96 -11.140 -1.667 26.980 1.00 64.66 C ATOM 952 NH1 ARG A 96 -11.196 -2.527 27.988 1.00 57.29 N ATOM 953 NH2 ARG A 96 -10.446 -0.545 27.110 1.00 48.87 N ATOM 954 HE ARG A 96 -12.307 -2.825 25.782 1.00 0.00 H ATOM 955 HH12 ARG A 96 -10.698 -2.319 28.877 1.00 0.00 H ATOM 956 HH11 ARG A 96 -11.738 -3.409 27.889 1.00 0.00 H ATOM 957 HH22 ARG A 96 -9.950 -0.341 28.001 1.00 0.00 H ATOM 958 HH21 ARG A 96 -10.398 0.131 26.321 1.00 0.00 H ATOM 959 H ARG A 96 -8.027 -1.372 21.839 1.00 0.00 H ATOM 960 N LYS A 97 -6.334 -0.897 24.379 1.00 25.26 N ATOM 961 CA LYS A 97 -5.193 -0.897 25.281 1.00 26.86 C ATOM 962 C LYS A 97 -3.914 -0.814 24.460 1.00 27.62 C ATOM 963 O LYS A 97 -3.928 -0.933 23.233 1.00 30.53 O ATOM 964 CB LYS A 97 -5.185 -2.146 26.171 1.00 24.41 C ATOM 965 CG LYS A 97 -5.000 -3.451 25.405 1.00 27.11 C ATOM 966 CD LYS A 97 -5.119 -4.659 26.324 1.00 28.60 C ATOM 967 CE LYS A 97 -5.078 -5.963 25.539 1.00 35.56 C ATOM 968 NZ LYS A 97 -5.574 -7.114 26.345 1.00 42.13 N ATOM 969 HZ1 LYS A 97 -4.980 -7.224 27.191 1.00 0.00 H ATOM 970 HZ2 LYS A 97 -6.558 -6.937 26.631 1.00 0.00 H ATOM 971 HZ3 LYS A 97 -5.529 -7.981 25.773 1.00 0.00 H ATOM 972 H LYS A 97 -6.213 -1.264 23.414 1.00 0.00 H ATOM 973 N VAL A 98 -2.802 -0.595 25.159 1.00 21.34 N ATOM 974 CA VAL A 98 -1.473 -0.662 24.564 1.00 20.78 C ATOM 975 C VAL A 98 -0.565 -1.406 25.534 1.00 26.43 C ATOM 976 O VAL A 98 -0.748 -1.349 26.754 1.00 22.86 O ATOM 977 CB VAL A 98 -0.907 0.739 24.227 1.00 25.04 C ATOM 978 CG1 VAL A 98 -0.651 1.544 25.494 1.00 24.09 C ATOM 979 CG2 VAL A 98 0.363 0.623 23.389 1.00 34.17 C ATOM 980 H VAL A 98 -2.885 -0.367 26.170 1.00 0.00 H ATOM 981 N ARG A 99 0.406 -2.128 24.982 1.00 25.74 N ATOM 982 CA ARG A 99 1.320 -2.940 25.769 1.00 23.24 C ATOM 983 C ARG A 99 2.751 -2.451 25.590 1.00 28.01 C ATOM 984 O ARG A 99 3.179 -2.147 24.472 1.00 26.89 O ATOM 985 CB ARG A 99 1.226 -4.420 25.377 1.00 25.35 C ATOM 986 CG ARG A 99 2.298 -5.291 26.013 1.00 26.19 C ATOM 987 CD ARG A 99 2.105 -6.761 25.689 1.00 24.87 C ATOM 988 NE ARG A 99 3.308 -7.534 25.983 1.00 22.67 N ATOM 989 CZ ARG A 99 3.429 -8.841 25.773 1.00 34.34 C ATOM 990 NH1 ARG A 99 2.415 -9.530 25.265 1.00 27.19 N ATOM 991 NH2 ARG A 99 4.564 -9.460 26.071 1.00 25.16 N ATOM 992 HE ARG A 99 4.124 -7.029 26.383 1.00 0.00 H ATOM 993 HH12 ARG A 99 2.511 -10.553 25.101 1.00 0.00 H ATOM 994 HH11 ARG A 99 1.524 -9.047 25.031 1.00 0.00 H ATOM 995 HH22 ARG A 99 4.657 -10.483 25.906 1.00 0.00 H ATOM 996 HH21 ARG A 99 5.360 -8.923 26.469 1.00 0.00 H ATOM 997 H ARG A 99 0.516 -2.111 23.948 1.00 0.00 H ATOM 998 N PHE A 100 3.478 -2.367 26.703 1.00 21.80 N ATOM 999 CA PHE A 100 4.915 -2.131 26.703 1.00 17.85 C ATOM 1000 C PHE A 100 5.580 -3.239 27.502 1.00 23.62 C ATOM 1001 O PHE A 100 5.121 -3.575 28.598 1.00 27.36 O ATOM 1002 CB PHE A 100 5.278 -0.775 27.319 1.00 23.00 C ATOM 1003 CG PHE A 100 4.573 0.392 26.696 1.00 29.75 C ATOM 1004 CD1 PHE A 100 5.040 0.953 25.520 1.00 31.87 C ATOM 1005 CD2 PHE A 100 3.454 0.941 27.298 1.00 28.82 C ATOM 1006 CE1 PHE A 100 4.396 2.033 24.950 1.00 36.33 C ATOM 1007 CE2 PHE A 100 2.807 2.021 26.734 1.00 25.77 C ATOM 1008 CZ PHE A 100 3.278 2.568 25.558 1.00 29.85 C ATOM 1009 H PHE A 100 2.995 -2.475 27.618 1.00 0.00 H ATOM 1010 N ASP A 101 6.656 -3.801 26.962 1.00 17.97 N ATOM 1011 CA ASP A 101 7.476 -4.756 27.697 1.00 25.92 C ATOM 1012 C ASP A 101 8.560 -3.975 28.427 1.00 23.00 C ATOM 1013 O ASP A 101 9.506 -3.481 27.805 1.00 22.46 O ATOM 1014 CB ASP A 101 8.072 -5.802 26.761 1.00 25.64 C ATOM 1015 CG ASP A 101 7.039 -6.793 26.265 1.00 27.57 C ATOM 1016 OD1 ASP A 101 5.893 -6.759 26.763 1.00 25.24 O ATOM 1017 OD2 ASP A 101 7.373 -7.608 25.380 1.00 31.50 O ATOM 1018 H ASP A 101 6.921 -3.553 25.987 1.00 0.00 H ATOM 1019 N TYR A 102 8.417 -3.849 29.743 1.00 20.39 N ATOM 1020 CA TYR A 102 9.306 -3.017 30.539 1.00 22.11 C ATOM 1021 C TYR A 102 10.423 -3.858 31.143 1.00 24.09 C ATOM 1022 O TYR A 102 10.164 -4.900 31.754 1.00 22.93 O ATOM 1023 CB TYR A 102 8.546 -2.290 31.646 1.00 16.93 C ATOM 1024 CG TYR A 102 9.422 -1.278 32.331 1.00 23.11 C ATOM 1025 CD1 TYR A 102 9.599 -0.012 31.791 1.00 21.51 C ATOM 1026 CD2 TYR A 102 10.113 -1.601 33.491 1.00 22.84 C ATOM 1027 CE1 TYR A 102 10.416 0.913 32.400 1.00 23.90 C ATOM 1028 CE2 TYR A 102 10.935 -0.683 34.108 1.00 25.39 C ATOM 1029 CZ TYR A 102 11.083 0.572 33.558 1.00 20.74 C ATOM 1030 OH TYR A 102 11.902 1.491 34.170 1.00 22.82 O ATOM 1031 HH TYR A 102 12.824 1.134 34.211 1.00 0.00 H ATOM 1032 H TYR A 102 7.646 -4.361 30.218 1.00 0.00 H ATOM 1033 N ASP A 103 11.658 -3.387 30.988 1.00 20.92 N ATOM 1034 CA ASP A 103 12.838 -4.084 31.495 1.00 20.45 C ATOM 1035 C ASP A 103 13.057 -3.673 32.947 1.00 21.07 C ATOM 1036 O ASP A 103 13.645 -2.626 33.228 1.00 23.00 O ATOM 1037 CB ASP A 103 14.054 -3.770 30.630 1.00 20.51 C ATOM 1038 CG ASP A 103 15.311 -4.487 31.095 1.00 25.27 C ATOM 1039 OD1 ASP A 103 15.216 -5.374 31.970 1.00 26.37 O ATOM 1040 OD2 ASP A 103 16.401 -4.164 30.579 1.00 27.32 O ATOM 1041 H ASP A 103 11.789 -2.486 30.485 1.00 0.00 H ATOM 1042 N LEU A 104 12.585 -4.505 33.873 1.00 20.19 N ATOM 1043 CA LEU A 104 12.789 -4.296 35.306 1.00 21.83 C ATOM 1044 C LEU A 104 14.166 -4.837 35.663 1.00 19.40 C ATOM 1045 O LEU A 104 14.313 -5.987 36.072 1.00 21.99 O ATOM 1046 CB LEU A 104 11.693 -4.989 36.111 1.00 20.21 C ATOM 1047 CG LEU A 104 11.410 -4.596 37.569 1.00 24.25 C ATOM 1048 CD1 LEU A 104 12.576 -4.879 38.520 1.00 23.89 C ATOM 1049 CD2 LEU A 104 10.994 -3.136 37.649 1.00 27.87 C ATOM 1050 H LEU A 104 12.048 -5.340 33.564 1.00 0.00 H ATOM 1051 N PHE A 105 15.192 -4.005 35.522 1.00 21.43 N ATOM 1052 CA PHE A 105 16.549 -4.447 35.801 1.00 21.05 C ATOM 1053 C PHE A 105 17.024 -3.939 37.159 1.00 20.56 C ATOM 1054 O PHE A 105 16.549 -2.922 37.670 1.00 20.68 O ATOM 1055 CB PHE A 105 17.518 -4.017 34.690 1.00 23.91 C ATOM 1056 CG PHE A 105 17.710 -2.526 34.563 1.00 23.03 C ATOM 1057 CD1 PHE A 105 18.681 -1.869 35.305 1.00 27.24 C ATOM 1058 CD2 PHE A 105 16.953 -1.790 33.664 1.00 26.52 C ATOM 1059 CE1 PHE A 105 18.872 -0.505 35.175 1.00 27.91 C ATOM 1060 CE2 PHE A 105 17.140 -0.425 33.529 1.00 25.19 C ATOM 1061 CZ PHE A 105 18.101 0.217 34.285 1.00 25.26 C ATOM 1062 H PHE A 105 15.023 -3.028 35.209 1.00 0.00 H ATOM 1063 N LEU A 106 17.962 -4.680 37.745 1.00 21.19 N ATOM 1064 CA LEU A 106 18.513 -4.384 39.057 1.00 22.60 C ATOM 1065 C LEU A 106 20.021 -4.213 38.947 1.00 26.40 C ATOM 1066 O LEU A 106 20.659 -4.766 38.049 1.00 31.22 O ATOM 1067 CB LEU A 106 18.195 -5.501 40.060 1.00 20.10 C ATOM 1068 CG LEU A 106 16.761 -6.028 40.114 1.00 23.51 C ATOM 1069 CD1 LEU A 106 16.667 -7.227 41.044 1.00 22.38 C ATOM 1070 CD2 LEU A 106 15.806 -4.937 40.550 1.00 17.13 C ATOM 1071 H LEU A 106 18.319 -5.514 37.237 1.00 0.00 H ATOM 1072 N HIS A 107 20.592 -3.445 39.869 1.00 29.28 N ATOM 1073 CA HIS A 107 22.031 -3.237 39.919 1.00 25.27 C ATOM 1074 C HIS A 107 22.626 -4.000 41.093 1.00 25.78 C ATOM 1075 O HIS A 107 22.021 -4.081 42.167 1.00 21.69 O ATOM 1076 CB HIS A 107 22.376 -1.751 40.034 1.00 25.93 C ATOM 1077 CG HIS A 107 22.295 -1.013 38.735 1.00 27.38 C ATOM 1078 ND1 HIS A 107 22.362 0.361 38.655 1.00 30.50 N ATOM 1079 CD2 HIS A 107 22.143 -1.458 37.466 1.00 27.61 C ATOM 1080 CE1 HIS A 107 22.260 0.731 37.391 1.00 36.55 C ATOM 1081 NE2 HIS A 107 22.125 -0.354 36.649 1.00 29.29 N ATOM 1082 H HIS A 107 19.991 -2.978 40.577 1.00 0.00 H ATOM 1083 N LEU A 108 23.814 -4.559 40.875 1.00 34.42 N ATOM 1084 CA LEU A 108 24.515 -5.283 41.921 1.00 31.72 C ATOM 1085 C LEU A 108 24.855 -4.357 43.084 1.00 32.82 C ATOM 1086 O LEU A 108 24.910 -3.131 42.948 1.00 31.51 O ATOM 1087 CB LEU A 108 25.799 -5.904 41.373 1.00 33.95 C ATOM 1088 CG LEU A 108 25.654 -7.019 40.339 1.00 39.89 C ATOM 1089 CD1 LEU A 108 26.939 -7.168 39.542 1.00 40.33 C ATOM 1090 CD2 LEU A 108 25.289 -8.324 41.024 1.00 33.76 C ATOM 1091 H LEU A 108 24.250 -4.476 39.935 1.00 0.00 H ATOM 1092 N GLU A 109 25.081 -4.969 44.244 1.00 31.75 N ATOM 1093 CA GLU A 109 25.583 -4.240 45.398 1.00 32.69 C ATOM 1094 C GLU A 109 26.903 -3.558 45.054 1.00 32.17 C ATOM 1095 O GLU A 109 27.693 -4.054 44.247 1.00 35.34 O ATOM 1096 CB GLU A 109 25.764 -5.196 46.580 1.00 41.90 C ATOM 1097 CG GLU A 109 26.208 -4.541 47.876 1.00 41.55 C ATOM 1098 CD GLU A 109 27.718 -4.478 48.006 1.00 46.58 C ATOM 1099 OE1 GLU A 109 28.409 -5.229 47.284 1.00 42.82 O ATOM 1100 OE2 GLU A 109 28.213 -3.675 48.823 1.00 43.52 O ATOM 1101 H GLU A 109 24.895 -5.989 44.327 1.00 0.00 H ATOM 1102 N GLY A 110 27.136 -2.401 45.668 1.00 35.80 N ATOM 1103 CA GLY A 110 28.328 -1.631 45.379 1.00 38.74 C ATOM 1104 C GLY A 110 28.219 -0.719 44.181 1.00 40.97 C ATOM 1105 O GLY A 110 29.220 -0.102 43.797 1.00 41.62 O ATOM 1106 H GLY A 110 26.452 -2.044 46.366 1.00 0.00 H ATOM 1107 N HIS A 111 27.043 -0.623 43.572 1.00 36.68 N ATOM 1108 CA HIS A 111 26.757 0.278 42.469 1.00 33.14 C ATOM 1109 C HIS A 111 25.554 1.132 42.838 1.00 25.29 C ATOM 1110 O HIS A 111 24.737 0.724 43.670 1.00 29.90 O ATOM 1111 CB HIS A 111 26.477 -0.503 41.176 1.00 34.79 C ATOM 1112 CG HIS A 111 27.657 -1.272 40.668 1.00 42.04 C ATOM 1113 ND1 HIS A 111 28.631 -0.706 39.874 1.00 45.40 N ATOM 1114 CD2 HIS A 111 28.021 -2.565 40.843 1.00 41.29 C ATOM 1115 CE1 HIS A 111 29.543 -1.616 39.581 1.00 45.37 C ATOM 1116 NE2 HIS A 111 29.196 -2.753 40.156 1.00 42.32 N ATOM 1117 H HIS A 111 26.273 -1.236 43.908 1.00 0.00 H ATOM 1118 N PRO A 112 25.426 2.324 42.257 1.00 29.69 N ATOM 1119 CA PRO A 112 24.316 3.215 42.631 1.00 32.14 C ATOM 1120 C PRO A 112 22.974 2.566 42.352 1.00 27.43 C ATOM 1121 O PRO A 112 22.880 1.645 41.526 1.00 30.48 O ATOM 1122 CB PRO A 112 24.529 4.461 41.753 1.00 31.86 C ATOM 1123 CG PRO A 112 25.606 4.128 40.796 1.00 30.58 C ATOM 1124 CD PRO A 112 26.362 2.954 41.311 1.00 27.48 C ATOM 1125 N PRO A 113 21.916 3.002 43.030 1.00 30.28 N ATOM 1126 CA PRO A 113 20.594 2.424 42.779 1.00 30.88 C ATOM 1127 C PRO A 113 20.118 2.738 41.370 1.00 26.44 C ATOM 1128 O PRO A 113 20.626 3.634 40.692 1.00 28.78 O ATOM 1129 CB PRO A 113 19.702 3.093 43.830 1.00 27.38 C ATOM 1130 CG PRO A 113 20.402 4.366 44.162 1.00 30.25 C ATOM 1131 CD PRO A 113 21.869 4.069 44.045 1.00 27.26 C ATOM 1132 N VAL A 114 19.130 1.970 40.928 1.00 23.04 N ATOM 1133 CA VAL A 114 18.534 2.188 39.617 1.00 25.96 C ATOM 1134 C VAL A 114 17.494 3.293 39.727 1.00 24.38 C ATOM 1135 O VAL A 114 16.637 3.269 40.616 1.00 27.17 O ATOM 1136 CB VAL A 114 17.907 0.894 39.077 1.00 23.32 C ATOM 1137 CG1 VAL A 114 17.190 1.170 37.763 1.00 21.50 C ATOM 1138 CG2 VAL A 114 18.966 -0.179 38.896 1.00 25.62 C ATOM 1139 H VAL A 114 18.775 1.199 41.529 1.00 0.00 H ATOM 1140 N ASN A 115 17.575 4.273 38.829 1.00 24.65 N ATOM 1141 CA ASN A 115 16.547 5.308 38.701 1.00 28.58 C ATOM 1142 C ASN A 115 16.359 5.533 37.203 1.00 29.09 C ATOM 1143 O ASN A 115 17.016 6.388 36.603 1.00 27.48 O ATOM 1144 CB ASN A 115 16.930 6.589 39.427 1.00 29.00 C ATOM 1145 CG ASN A 115 15.870 7.662 39.300 1.00 29.79 C ATOM 1146 OD1 ASN A 115 14.673 7.375 39.345 1.00 26.31 O ATOM 1147 ND2 ASN A 115 16.301 8.906 39.136 1.00 29.27 N ATOM 1148 HD22 ASN A 115 17.322 9.103 39.104 1.00 0.00 H ATOM 1149 HD21 ASN A 115 15.618 9.684 39.040 1.00 0.00 H ATOM 1150 H ASN A 115 18.399 4.304 38.195 1.00 0.00 H ATOM 1151 N HIS A 116 15.462 4.755 36.607 1.00 26.32 N ATOM 1152 CA HIS A 116 15.302 4.705 35.163 1.00 20.37 C ATOM 1153 C HIS A 116 13.982 5.338 34.745 1.00 20.32 C ATOM 1154 O HIS A 116 12.970 5.208 35.441 1.00 19.77 O ATOM 1155 CB HIS A 116 15.366 3.262 34.662 1.00 24.33 C ATOM 1156 CG HIS A 116 15.355 3.146 33.171 1.00 26.36 C ATOM 1157 ND1 HIS A 116 16.479 3.352 32.402 1.00 27.50 N ATOM 1158 CD2 HIS A 116 14.355 2.856 32.307 1.00 29.52 C ATOM 1159 CE1 HIS A 116 16.173 3.189 31.127 1.00 29.84 C ATOM 1160 NE2 HIS A 116 14.890 2.888 31.042 1.00 28.99 N ATOM 1161 H HIS A 116 14.849 4.157 37.198 1.00 0.00 H ATOM 1162 N LEU A 117 14.000 6.019 33.601 1.00 21.60 N ATOM 1163 CA LEU A 117 12.809 6.646 33.043 1.00 29.68 C ATOM 1164 C LEU A 117 12.727 6.338 31.557 1.00 23.75 C ATOM 1165 O LEU A 117 13.725 6.448 30.838 1.00 23.84 O ATOM 1166 CB LEU A 117 12.812 8.159 33.268 1.00 29.25 C ATOM 1167 CG LEU A 117 11.500 8.839 32.876 1.00 30.21 C ATOM 1168 CD1 LEU A 117 10.394 8.457 33.850 1.00 33.17 C ATOM 1169 CD2 LEU A 117 11.667 10.347 32.811 1.00 34.28 C ATOM 1170 H LEU A 117 14.899 6.107 33.086 1.00 0.00 H ATOM 1171 N ARG A 118 11.534 5.961 31.104 1.00 17.98 N ATOM 1172 CA ARG A 118 11.284 5.603 29.713 1.00 23.47 C ATOM 1173 C ARG A 118 10.074 6.384 29.229 1.00 20.38 C ATOM 1174 O ARG A 118 8.985 6.261 29.800 1.00 25.12 O ATOM 1175 CB ARG A 118 11.055 4.095 29.571 1.00 19.65 C ATOM 1176 CG ARG A 118 10.472 3.655 28.240 1.00 25.35 C ATOM 1177 CD ARG A 118 10.449 2.136 28.154 1.00 24.03 C ATOM 1178 NE ARG A 118 9.710 1.650 26.993 1.00 29.17 N ATOM 1179 CZ ARG A 118 9.459 0.367 26.756 1.00 31.16 C ATOM 1180 NH1 ARG A 118 9.888 -0.560 27.602 1.00 22.64 N ATOM 1181 NH2 ARG A 118 8.780 0.008 25.674 1.00 23.63 N ATOM 1182 HE ARG A 118 9.358 2.351 26.310 1.00 0.00 H ATOM 1183 HH12 ARG A 118 9.692 -1.564 27.416 1.00 0.00 H ATOM 1184 HH11 ARG A 118 10.421 -0.283 28.451 1.00 0.00 H ATOM 1185 HH22 ARG A 118 8.585 -0.997 25.492 1.00 0.00 H ATOM 1186 HH21 ARG A 118 8.442 0.732 25.008 1.00 0.00 H ATOM 1187 H ARG A 118 10.741 5.920 31.775 1.00 0.00 H ATOM 1188 N CYS A 119 10.263 7.186 28.186 1.00 28.34 N ATOM 1189 CA CYS A 119 9.211 8.045 27.659 1.00 26.37 C ATOM 1190 C CYS A 119 8.567 7.387 26.447 1.00 28.70 C ATOM 1191 O CYS A 119 9.267 6.867 25.571 1.00 29.10 O ATOM 1192 CB CYS A 119 9.771 9.418 27.287 1.00 27.51 C ATOM 1193 SG CYS A 119 10.474 10.320 28.686 1.00 41.92 S ATOM 1194 H CYS A 119 11.197 7.201 27.729 1.00 0.00 H ATOM 1195 N GLU A 120 7.237 7.410 26.401 1.00 22.19 N ATOM 1196 CA GLU A 120 6.484 6.803 25.313 1.00 32.52 C ATOM 1197 C GLU A 120 5.465 7.796 24.778 1.00 27.74 C ATOM 1198 O GLU A 120 4.728 8.416 25.552 1.00 29.70 O ATOM 1199 CB GLU A 120 5.782 5.518 25.768 1.00 25.24 C ATOM 1200 CG GLU A 120 6.730 4.394 26.157 1.00 30.09 C ATOM 1201 CD GLU A 120 7.485 3.818 24.972 1.00 35.43 C ATOM 1202 OE1 GLU A 120 7.065 4.048 23.817 1.00 34.40 O ATOM 1203 OE2 GLU A 120 8.503 3.130 25.196 1.00 36.12 O ATOM 1204 H GLU A 120 6.717 7.879 27.170 1.00 0.00 H ATOM 1205 N LYS A 121 5.434 7.942 23.458 1.00 28.47 N ATOM 1206 CA LYS A 121 4.455 8.766 22.765 1.00 31.31 C ATOM 1207 C LYS A 121 3.403 7.862 22.139 1.00 25.44 C ATOM 1208 O LYS A 121 3.740 6.945 21.383 1.00 32.43 O ATOM 1209 CB LYS A 121 5.127 9.606 21.677 1.00 40.71 C ATOM 1210 CG LYS A 121 5.275 11.090 21.973 1.00 52.22 C ATOM 1211 CD LYS A 121 5.641 11.834 20.690 1.00 58.22 C ATOM 1212 CE LYS A 121 6.170 13.234 20.958 1.00 74.62 C ATOM 1213 NZ LYS A 121 5.815 14.197 19.875 1.00 70.79 N ATOM 1214 HZ1 LYS A 121 6.219 13.869 18.975 1.00 0.00 H ATOM 1215 HZ2 LYS A 121 4.780 14.256 19.791 1.00 0.00 H ATOM 1216 HZ3 LYS A 121 6.199 15.135 20.107 1.00 0.00 H ATOM 1217 H LYS A 121 6.147 7.441 22.890 1.00 0.00 H ATOM 1218 N LEU A 122 2.138 8.111 22.458 1.00 28.92 N ATOM 1219 CA LEU A 122 1.027 7.435 21.805 1.00 30.44 C ATOM 1220 C LEU A 122 0.305 8.419 20.898 1.00 26.62 C ATOM 1221 O LEU A 122 0.154 9.595 21.239 1.00 30.09 O ATOM 1222 CB LEU A 122 0.044 6.850 22.820 1.00 32.59 C ATOM 1223 CG LEU A 122 0.621 5.938 23.901 1.00 34.52 C ATOM 1224 CD1 LEU A 122 -0.422 5.652 24.967 1.00 35.02 C ATOM 1225 CD2 LEU A 122 1.122 4.648 23.279 1.00 31.61 C ATOM 1226 H LEU A 122 1.935 8.812 23.199 1.00 0.00 H ATOM 1227 N THR A 123 -0.134 7.936 19.742 1.00 30.00 N ATOM 1228 CA THR A 123 -0.847 8.754 18.773 1.00 31.04 C ATOM 1229 C THR A 123 -2.184 8.098 18.459 1.00 28.39 C ATOM 1230 O THR A 123 -2.236 6.907 18.136 1.00 32.19 O ATOM 1231 CB THR A 123 -0.021 8.942 17.497 1.00 41.69 C ATOM 1232 OG1 THR A 123 1.252 9.508 17.834 1.00 42.08 O ATOM 1233 CG2 THR A 123 -0.736 9.870 16.528 1.00 37.20 C ATOM 1234 HG1 THR A 123 1.730 8.899 18.451 1.00 0.00 H ATOM 1235 H THR A 123 0.038 6.935 19.521 1.00 0.00 H ATOM 1236 N PHE A 124 -3.260 8.874 18.576 1.00 24.26 N ATOM 1237 CA PHE A 124 -4.615 8.420 18.275 1.00 24.47 C ATOM 1238 C PHE A 124 -5.142 9.243 17.109 1.00 27.21 C ATOM 1239 O PHE A 124 -5.417 10.438 17.263 1.00 23.74 O ATOM 1240 CB PHE A 124 -5.533 8.561 19.488 1.00 28.95 C ATOM 1241 CG PHE A 124 -5.089 7.776 20.686 1.00 25.73 C ATOM 1242 CD1 PHE A 124 -5.438 6.444 20.825 1.00 30.95 C ATOM 1243 CD2 PHE A 124 -4.335 8.376 21.680 1.00 29.92 C ATOM 1244 CE1 PHE A 124 -5.036 5.720 21.931 1.00 28.96 C ATOM 1245 CE2 PHE A 124 -3.929 7.658 22.789 1.00 30.71 C ATOM 1246 CZ PHE A 124 -4.280 6.328 22.915 1.00 26.55 C ATOM 1247 H PHE A 124 -3.129 9.854 18.898 1.00 0.00 H ATOM 1248 N ASN A 125 -5.291 8.610 15.950 1.00 26.27 N ATOM 1249 CA ASN A 125 -5.802 9.286 14.765 1.00 30.39 C ATOM 1250 C ASN A 125 -7.323 9.220 14.758 1.00 28.06 C ATOM 1251 O ASN A 125 -7.902 8.130 14.834 1.00 28.07 O ATOM 1252 CB ASN A 125 -5.225 8.666 13.494 1.00 33.46 C ATOM 1253 CG ASN A 125 -3.728 8.855 13.387 1.00 39.20 C ATOM 1254 OD1 ASN A 125 -3.238 9.982 13.298 1.00 40.35 O ATOM 1255 ND2 ASN A 125 -2.990 7.752 13.398 1.00 45.07 N ATOM 1256 HD22 ASN A 125 -3.447 6.821 13.475 1.00 0.00 H ATOM 1257 HD21 ASN A 125 -1.954 7.819 13.330 1.00 0.00 H ATOM 1258 H ASN A 125 -5.036 7.604 15.887 1.00 0.00 H ATOM 1259 N ASN A 126 -7.956 10.386 14.669 1.00 22.79 N ATOM 1260 CA ASN A 126 -9.408 10.516 14.625 1.00 22.86 C ATOM 1261 C ASN A 126 -10.125 9.672 15.681 1.00 26.95 C ATOM 1262 O ASN A 126 -10.935 8.799 15.341 1.00 28.59 O ATOM 1263 CB ASN A 126 -9.924 10.184 13.232 1.00 31.18 C ATOM 1264 CG ASN A 126 -9.365 11.110 12.177 1.00 28.01 C ATOM 1265 OD1 ASN A 126 -9.616 12.313 12.201 1.00 32.33 O ATOM 1266 ND2 ASN A 126 -8.589 10.557 11.252 1.00 34.26 N ATOM 1267 HD22 ASN A 126 -8.405 9.534 11.272 1.00 0.00 H ATOM 1268 HD21 ASN A 126 -8.166 11.147 10.508 1.00 0.00 H ATOM 1269 H ASN A 126 -7.384 11.254 14.629 1.00 0.00 H ATOM 1270 N PRO A 127 -9.864 9.905 16.964 1.00 28.82 N ATOM 1271 CA PRO A 127 -10.626 9.205 17.999 1.00 28.51 C ATOM 1272 C PRO A 127 -12.076 9.660 17.986 1.00 28.28 C ATOM 1273 O PRO A 127 -12.426 10.690 17.406 1.00 27.27 O ATOM 1274 CB PRO A 127 -9.926 9.617 19.298 1.00 30.05 C ATOM 1275 CG PRO A 127 -9.367 10.962 18.991 1.00 27.75 C ATOM 1276 CD PRO A 127 -8.948 10.905 17.545 1.00 27.57 C ATOM 1277 N THR A 128 -12.926 8.864 18.627 1.00 26.25 N ATOM 1278 CA THR A 128 -14.304 9.280 18.798 1.00 29.67 C ATOM 1279 C THR A 128 -14.352 10.602 19.555 1.00 35.95 C ATOM 1280 O THR A 128 -13.423 10.970 20.279 1.00 26.60 O ATOM 1281 CB THR A 128 -15.113 8.228 19.554 1.00 31.27 C ATOM 1282 OG1 THR A 128 -14.644 8.142 20.907 1.00 30.24 O ATOM 1283 CG2 THR A 128 -14.976 6.870 18.884 1.00 30.17 C ATOM 1284 HG1 THR A 128 -15.170 7.460 21.395 1.00 0.00 H ATOM 1285 H THR A 128 -12.605 7.949 19.003 1.00 0.00 H ATOM 1286 N GLU A 129 -15.432 11.311 19.385 1.00 28.78 N ATOM 1287 CA GLU A 129 -15.613 12.558 20.047 1.00 30.30 C ATOM 1288 C GLU A 129 -15.481 12.383 21.562 1.00 28.28 C ATOM 1289 O GLU A 129 -14.906 13.184 22.217 1.00 27.24 O ATOM 1290 CB GLU A 129 -16.957 13.151 19.670 1.00 31.37 C ATOM 1291 CG GLU A 129 -17.278 14.485 20.285 1.00 38.26 C ATOM 1292 CD GLU A 129 -18.624 15.047 19.852 1.00 46.89 C ATOM 1293 OE1 GLU A 129 -19.340 14.445 19.076 1.00 40.27 O ATOM 1294 OE2 GLU A 129 -18.966 16.099 20.311 1.00 45.99 O ATOM 1295 H GLU A 129 -16.178 10.958 18.752 1.00 0.00 H ATOM 1296 N ASP A 130 -16.036 11.313 22.079 1.00 28.11 N ATOM 1297 CA ASP A 130 -16.013 11.036 23.491 1.00 39.97 C ATOM 1298 C ASP A 130 -14.627 10.722 24.024 1.00 30.13 C ATOM 1299 O ASP A 130 -14.259 11.225 25.018 1.00 34.56 O ATOM 1300 CB ASP A 130 -16.983 9.937 23.849 1.00 57.33 C ATOM 1301 CG ASP A 130 -18.443 10.381 23.808 1.00 74.14 C ATOM 1302 OD1 ASP A 130 -18.754 11.554 23.631 1.00 75.93 O ATOM 1303 OD2 ASP A 130 -19.309 9.518 23.977 1.00 87.87 O ATOM 1304 H ASP A 130 -16.511 10.639 21.445 1.00 0.00 H ATOM 1305 N PHE A 131 -13.869 9.918 23.324 1.00 28.49 N ATOM 1306 CA PHE A 131 -12.520 9.619 23.721 1.00 30.66 C ATOM 1307 C PHE A 131 -11.590 10.821 23.555 1.00 32.42 C ATOM 1308 O PHE A 131 -10.747 11.047 24.370 1.00 22.10 O ATOM 1309 CB PHE A 131 -12.006 8.429 22.968 1.00 29.73 C ATOM 1310 CG PHE A 131 -10.750 7.876 23.508 1.00 31.22 C ATOM 1311 CD1 PHE A 131 -10.578 7.729 24.834 1.00 25.51 C ATOM 1312 CD2 PHE A 131 -9.747 7.486 22.678 1.00 31.18 C ATOM 1313 CE1 PHE A 131 -9.430 7.227 25.321 1.00 25.25 C ATOM 1314 CE2 PHE A 131 -8.607 6.984 23.168 1.00 28.77 C ATOM 1315 CZ PHE A 131 -8.440 6.847 24.498 1.00 25.91 C ATOM 1316 H PHE A 131 -14.251 9.485 22.459 1.00 0.00 H ATOM 1317 N ARG A 132 -11.768 11.554 22.469 1.00 23.58 N ATOM 1318 CA ARG A 132 -11.052 12.797 22.252 1.00 20.98 C ATOM 1319 C ARG A 132 -11.261 13.762 23.406 1.00 24.12 C ATOM 1320 O ARG A 132 -10.308 14.399 23.860 1.00 26.48 O ATOM 1321 CB ARG A 132 -11.505 13.430 20.941 1.00 27.91 C ATOM 1322 CG ARG A 132 -10.698 14.661 20.592 1.00 24.18 C ATOM 1323 CD ARG A 132 -11.121 15.230 19.257 1.00 27.58 C ATOM 1324 NE ARG A 132 -12.447 15.829 19.323 1.00 29.93 N ATOM 1325 CZ ARG A 132 -13.441 15.518 18.498 1.00 33.44 C ATOM 1326 NH1 ARG A 132 -13.262 14.613 17.548 1.00 33.97 N ATOM 1327 NH2 ARG A 132 -14.617 16.109 18.625 1.00 37.95 N ATOM 1328 HE ARG A 132 -12.626 16.542 20.059 1.00 0.00 H ATOM 1329 HH12 ARG A 132 -14.043 14.373 16.905 1.00 0.00 H ATOM 1330 HH11 ARG A 132 -12.340 14.142 17.445 1.00 0.00 H ATOM 1331 HH22 ARG A 132 -15.394 15.865 17.979 1.00 0.00 H ATOM 1332 HH21 ARG A 132 -14.765 16.818 19.371 1.00 0.00 H ATOM 1333 H ARG A 132 -12.443 11.229 21.747 1.00 0.00 H ATOM 1334 N ARG A 133 -12.496 13.870 23.906 1.00 22.84 N ATOM 1335 CA ARG A 133 -12.761 14.753 25.037 1.00 28.55 C ATOM 1336 C ARG A 133 -11.978 14.322 26.272 1.00 27.51 C ATOM 1337 O ARG A 133 -11.436 15.163 26.999 1.00 27.33 O ATOM 1338 CB ARG A 133 -14.265 14.783 25.331 1.00 30.36 C ATOM 1339 CG ARG A 133 -14.686 15.827 26.345 1.00 42.08 C ATOM 1340 CD ARG A 133 -16.164 15.699 26.676 1.00 48.15 C ATOM 1341 NE ARG A 133 -17.012 16.051 25.541 1.00 47.40 N ATOM 1342 CZ ARG A 133 -17.825 15.197 24.928 1.00 54.77 C ATOM 1343 NH1 ARG A 133 -17.896 13.939 25.344 1.00 43.09 N ATOM 1344 NH2 ARG A 133 -18.566 15.596 23.902 1.00 38.93 N ATOM 1345 HE ARG A 133 -16.978 17.030 25.191 1.00 0.00 H ATOM 1346 HH12 ARG A 133 -18.531 13.268 24.866 1.00 0.00 H ATOM 1347 HH11 ARG A 133 -17.316 13.624 26.148 1.00 0.00 H ATOM 1348 HH22 ARG A 133 -19.200 14.923 23.426 1.00 0.00 H ATOM 1349 HH21 ARG A 133 -18.512 16.581 23.574 1.00 0.00 H ATOM 1350 H ARG A 133 -13.273 13.321 23.486 1.00 0.00 H ATOM 1351 N LYS A 134 -11.897 13.014 26.519 1.00 25.63 N ATOM 1352 CA LYS A 134 -11.128 12.522 27.657 1.00 26.61 C ATOM 1353 C LYS A 134 -9.636 12.754 27.452 1.00 25.83 C ATOM 1354 O LYS A 134 -8.950 13.264 28.346 1.00 29.00 O ATOM 1355 CB LYS A 134 -11.413 11.038 27.885 1.00 23.89 C ATOM 1356 CG LYS A 134 -12.829 10.749 28.346 1.00 32.42 C ATOM 1357 CD LYS A 134 -13.068 9.259 28.512 1.00 27.72 C ATOM 1358 CE LYS A 134 -14.505 8.983 28.918 1.00 31.98 C ATOM 1359 NZ LYS A 134 -14.874 9.721 30.157 1.00 33.32 N ATOM 1360 HZ1 LYS A 134 -14.249 9.425 30.934 1.00 0.00 H ATOM 1361 HZ2 LYS A 134 -14.768 10.743 29.995 1.00 0.00 H ATOM 1362 HZ3 LYS A 134 -15.862 9.509 30.404 1.00 0.00 H ATOM 1363 H LYS A 134 -12.386 12.340 25.896 1.00 0.00 H ATOM 1364 N LEU A 135 -9.118 12.383 26.277 1.00 26.59 N ATOM 1365 CA LEU A 135 -7.692 12.542 26.004 1.00 27.78 C ATOM 1366 C LEU A 135 -7.250 13.988 26.185 1.00 32.59 C ATOM 1367 O LEU A 135 -6.183 14.252 26.751 1.00 29.20 O ATOM 1368 CB LEU A 135 -7.371 12.069 24.586 1.00 22.22 C ATOM 1369 CG LEU A 135 -7.455 10.573 24.282 1.00 22.15 C ATOM 1370 CD1 LEU A 135 -7.613 10.352 22.786 1.00 25.13 C ATOM 1371 CD2 LEU A 135 -6.232 9.843 24.808 1.00 22.84 C ATOM 1372 H LEU A 135 -9.738 11.976 25.548 1.00 0.00 H ATOM 1373 N LEU A 136 -8.063 14.935 25.729 1.00 24.76 N ATOM 1374 CA LEU A 136 -7.692 16.342 25.707 1.00 33.63 C ATOM 1375 C LEU A 136 -8.028 17.072 27.001 1.00 33.74 C ATOM 1376 O LEU A 136 -7.908 18.300 27.053 1.00 44.02 O ATOM 1377 CB LEU A 136 -8.354 17.035 24.516 1.00 28.24 C ATOM 1378 CG LEU A 136 -7.674 16.670 23.196 1.00 29.32 C ATOM 1379 CD1 LEU A 136 -8.350 17.351 22.023 1.00 29.99 C ATOM 1380 CD2 LEU A 136 -6.193 17.022 23.248 1.00 27.52 C ATOM 1381 H LEU A 136 -9.001 14.660 25.374 1.00 0.00 H ATOM 1382 N LYS A 137 -8.454 16.355 28.036 1.00 37.73 N ATOM 1383 CA LYS A 137 -8.453 16.907 29.382 1.00 41.73 C ATOM 1384 C LYS A 137 -7.159 16.607 30.119 1.00 42.75 C ATOM 1385 O LYS A 137 -6.883 17.235 31.146 1.00 49.26 O ATOM 1386 CB LYS A 137 -9.637 16.365 30.187 1.00 36.66 C ATOM 1387 CG LYS A 137 -10.952 17.030 29.844 1.00 48.42 C ATOM 1388 CD LYS A 137 -11.924 16.964 31.003 1.00 50.42 C ATOM 1389 CE LYS A 137 -13.238 16.375 30.541 1.00 60.63 C ATOM 1390 NZ LYS A 137 -13.048 14.945 30.174 1.00 57.22 N ATOM 1391 HZ1 LYS A 137 -12.350 14.875 29.406 1.00 0.00 H ATOM 1392 HZ2 LYS A 137 -12.707 14.418 31.003 1.00 0.00 H ATOM 1393 HZ3 LYS A 137 -13.955 14.546 29.857 1.00 0.00 H ATOM 1394 H LYS A 137 -8.793 15.384 27.881 1.00 0.00 H ATOM 1395 N ALA A 138 -6.357 15.685 29.601 1.00 40.63 N ATOM 1396 CA ALA A 138 -5.163 15.212 30.279 1.00 51.50 C ATOM 1397 C ALA A 138 -3.939 16.061 29.964 1.00 53.17 C ATOM 1398 O ALA A 138 -2.889 15.894 30.585 1.00 40.59 O ATOM 1399 CB ALA A 138 -4.908 13.785 29.905 1.00 40.06 C ATOM 1400 H ALA A 138 -6.593 15.285 28.671 1.00 0.00 H TER 1401 ALA A 138 HETATM 1402 O HOH 1 11.147 5.141 44.653 1.00 45.44 O HETATM 1403 O HOH 2 12.191 8.056 39.966 1.00 30.00 O HETATM 1404 O HOH 3 -13.158 -0.242 16.736 1.00 46.46 O HETATM 1405 O HOH 4 -1.257 10.999 12.508 1.00 51.32 O HETATM 1406 O HOH 5 4.777 -10.460 46.309 1.00 35.60 O HETATM 1407 O HOH 6 -11.398 -4.207 29.736 1.00 51.95 O HETATM 1408 O HOH 7 29.141 1.724 39.719 1.00 44.58 O HETATM 1409 O HOH 8 8.418 -10.013 47.012 1.00 30.59 O HETATM 1410 O HOH 9 -12.591 10.266 31.909 1.00 37.93 O HETATM 1411 O HOH 10 19.959 -10.488 43.959 1.00 27.12 O HETATM 1412 O HOH 11 2.958 -17.145 40.640 1.00 48.03 O HETATM 1413 O HOH 12 14.362 -18.086 50.164 1.00 36.93 O HETATM 1414 O HOH 13 -7.756 4.971 36.039 1.00 24.98 O HETATM 1415 O HOH 14 16.331 -12.218 58.038 1.00 57.81 O HETATM 1416 O HOH 15 -17.879 14.271 4.876 1.00 59.58 O HETATM 1417 O HOH 16 -8.142 1.879 43.038 1.00 36.61 O HETATM 1418 O HOH 17 18.995 -4.288 31.169 1.00 38.26 O HETATM 1419 O HOH 18 21.264 6.217 40.813 1.00 29.87 O HETATM 1420 O HOH 19 4.983 4.563 22.231 1.00 30.29 O HETATM 1421 O HOH 20 2.993 6.776 18.813 1.00 48.37 O HETATM 1422 O HOH 21 8.750 -16.712 44.726 1.00 30.57 O HETATM 1423 O HOH 22 -2.669 2.967 43.235 1.00 36.52 O HETATM 1424 O HOH 23 4.715 13.211 36.592 1.00 35.58 O HETATM 1425 O HOH 24 -4.926 -7.656 31.251 1.00 41.19 O HETATM 1426 O HOH 25 -15.055 18.561 19.694 1.00 41.46 O HETATM 1427 O HOH 26 0.745 7.134 38.187 1.00 17.35 O HETATM 1428 O HOH 27 19.666 4.279 37.094 1.00 32.39 O HETATM 1429 O HOH 28 0.656 11.169 36.277 1.00 25.83 O HETATM 1430 O HOH 29 9.128 13.816 24.673 1.00 54.90 O HETATM 1431 O HOH 30 -11.748 6.524 36.566 1.00 41.04 O HETATM 1432 O HOH 31 20.008 -12.355 55.613 1.00 44.13 O HETATM 1433 O HOH 32 2.691 -12.620 34.442 1.00 36.15 O HETATM 1434 O HOH 33 12.159 -11.783 32.006 1.00 23.30 O HETATM 1435 O HOH 34 12.709 -8.665 41.093 1.00 22.63 O HETATM 1436 O HOH 35 -2.669 -0.195 20.893 1.00 35.18 O HETATM 1437 O HOH 36 13.804 -0.245 31.842 1.00 27.76 O HETATM 1438 O HOH 37 21.144 -0.016 45.430 1.00 32.56 O HETATM 1439 O HOH 38 10.820 -3.818 25.390 1.00 33.84 O HETATM 1440 O HOH 39 -5.765 8.767 42.965 1.00 37.94 O HETATM 1441 O HOH 40 -11.781 17.860 26.446 1.00 38.58 O HETATM 1442 O HOH 41 20.176 -6.936 50.162 1.00 33.96 O HETATM 1443 O HOH 42 -1.659 -6.539 25.381 1.00 49.11 O HETATM 1444 O HOH 43 31.817 -0.752 44.585 1.00 51.05 O HETATM 1445 O HOH 44 6.673 -10.731 33.797 1.00 29.81 O HETATM 1446 O HOH 45 12.413 7.014 37.496 1.00 31.23 O HETATM 1447 O HOH 46 17.095 -14.015 46.971 1.00 30.60 O HETATM 1448 O HOH 47 -0.909 15.195 17.323 1.00 38.61 O HETATM 1449 O HOH 48 -14.162 8.187 33.591 1.00 49.33 O HETATM 1450 O HOH 49 0.433 -11.612 34.669 1.00 34.31 O HETATM 1451 O HOH 50 10.305 13.972 32.980 1.00 43.17 O HETATM 1452 O HOH 51 16.574 4.778 42.981 1.00 29.51 O HETATM 1453 O HOH 52 -11.205 3.116 35.917 1.00 42.01 O HETATM 1454 O HOH 53 18.910 3.753 33.759 1.00 40.50 O HETATM 1455 O HOH 54 -11.503 13.483 13.929 1.00 33.05 O HETATM 1456 O HOH 55 -16.330 13.355 4.090 1.00 64.55 O HETATM 1457 O HOH 56 2.536 8.719 39.825 1.00 31.95 O HETATM 1458 O HOH 57 -8.584 8.452 41.803 1.00 28.24 O HETATM 1459 O HOH 58 -3.371 16.849 33.272 1.00 34.69 O HETATM 1460 O HOH 59 14.543 -2.192 53.097 1.00 42.18 O HETATM 1461 O HOH 60 -11.154 13.066 16.433 1.00 29.10 O HETATM 1462 O HOH 61 -14.818 7.292 25.376 1.00 36.90 O HETATM 1463 O HOH 62 16.256 -2.527 28.253 1.00 36.01 O HETATM 1464 O HOH 63 1.637 15.323 23.768 1.00 45.95 O HETATM 1465 O HOH 64 10.892 -17.333 43.724 1.00 36.30 O HETATM 1466 O HOH 65 -7.100 -3.178 41.629 1.00 41.74 O HETATM 1467 O HOH 66 3.688 7.404 44.354 1.00 42.42 O HETATM 1468 O HOH 67 -11.657 6.486 19.587 1.00 29.92 O HETATM 1469 O HOH 68 10.199 -8.058 25.342 1.00 28.40 O HETATM 1470 O HOH 69 -14.988 5.981 22.757 1.00 38.76 O HETATM 1471 O HOH 70 -6.493 -0.143 42.010 1.00 38.68 O HETATM 1472 O HOH 71 28.961 2.673 43.126 1.00 42.49 O HETATM 1473 O HOH 72 -8.327 -7.509 27.053 1.00 42.96 O HETATM 1474 O HOH 73 0.166 -2.947 22.233 1.00 31.28 O HETATM 1475 O HOH 74 -11.547 -2.379 43.054 1.00 37.39 O HETATM 1476 O HOH 75 14.199 10.878 39.042 1.00 32.24 O HETATM 1477 O HOH 76 12.068 -0.843 29.481 1.00 25.81 O HETATM 1478 O HOH 77 22.479 -0.229 33.781 1.00 37.47 O HETATM 1479 O HOH 78 7.980 -2.556 24.580 1.00 24.35 O HETATM 1480 O HOH 79 16.043 8.945 35.625 1.00 45.04 O HETATM 1481 O HOH 80 -16.951 10.542 17.027 1.00 37.92 O HETATM 1482 O HOH 81 -16.840 17.697 21.489 1.00 51.02 O HETATM 1483 O HOH 82 16.621 6.881 32.653 1.00 30.38 O HETATM 1484 O HOH 83 -3.338 10.307 36.553 1.00 25.61 O HETATM 1485 O HOH 84 9.325 -3.745 48.894 1.00 48.59 O HETATM 1486 O HOH 85 14.131 2.252 28.287 1.00 40.43 O HETATM 1487 O HOH 86 15.386 -15.598 57.548 1.00 46.97 O HETATM 1488 O HOH 87 -7.639 6.658 17.366 1.00 32.80 O HETATM 1489 O HOH 88 -16.305 11.987 26.993 1.00 32.71 O HETATM 1490 O HOH 89 7.882 8.298 45.014 1.00 51.21 O HETATM 1491 O HOH 90 10.071 1.965 22.961 1.00 38.37 O HETATM 1492 O HOH 91 0.046 -17.052 42.833 1.00 53.01 O HETATM 1493 O HOH 92 22.574 -1.305 43.171 1.00 30.47 O HETATM 1494 O HOH 93 7.432 6.802 21.574 1.00 38.88 O HETATM 1495 O HOH 94 -14.545 16.127 21.930 1.00 38.10 O HETATM 1496 O HOH 95 -4.386 -6.527 41.533 1.00 34.09 O HETATM 1497 O HOH 96 -4.783 1.395 42.043 1.00 36.06 O HETATM 1498 O HOH 97 12.881 7.042 26.756 1.00 51.88 O HETATM 1499 O HOH 98 -0.259 -8.623 24.292 1.00 48.49 O HETATM 1500 O HOH 99 -5.573 13.712 11.161 1.00 37.80 O HETATM 1501 O HOH 100 11.832 11.831 36.537 1.00 44.29 O HETATM 1502 O HOH 101 8.014 12.642 28.915 1.00 42.56 O HETATM 1503 O HOH 102 19.720 -1.837 42.256 1.00 23.69 O HETATM 1504 O HOH 103 -0.549 4.985 20.150 1.00 40.19 O HETATM 1505 O HOH 104 -7.156 -6.954 33.604 1.00 48.46 O HETATM 1506 O HOH 105 15.063 5.758 28.222 1.00 41.42 O HETATM 1507 O HOH 106 -15.964 12.480 29.596 1.00 39.89 O HETATM 1508 O HOH 107 6.660 -15.128 33.843 1.00 32.27 O HETATM 1509 O HOH 108 6.861 11.058 27.528 1.00 37.74 O HETATM 1510 O HOH 109 9.579 -1.738 47.345 1.00 28.89 O HETATM 1511 O HOH 110 0.084 -2.444 43.166 1.00 41.29 O HETATM 1512 O HOH 111 8.005 14.181 34.724 1.00 52.45 O HETATM 1513 O HOH 112 11.508 -9.446 55.733 1.00 36.60 O HETATM 1514 O HOH 113 -4.542 4.355 44.294 1.00 26.35 O HETATM 1515 O HOH 114 -17.045 11.708 5.925 1.00 53.76 O HETATM 1516 O HOH 115 7.496 1.192 22.519 1.00 43.54 O HETATM 1517 O HOH 116 0.877 -4.718 44.083 1.00 30.93 O HETATM 1518 O HOH 117 15.527 3.509 45.281 1.00 39.35 O HETATM 1519 O HOH 118 -7.196 11.414 8.464 1.00 50.76 O HETATM 1520 O HOH 119 -8.652 16.724 6.838 1.00 44.03 O HETATM 1521 O HOH 120 12.515 1.943 25.269 1.00 56.86 O HETATM 1522 O HOH 121 -15.491 6.667 31.271 1.00 30.00 O HETATM 1523 O HOH 122 11.217 10.215 39.022 1.00 45.84 O HETATM 1524 O HOH 123 22.507 1.864 47.216 1.00 39.09 O HETATM 1525 O HOH 124 7.857 13.739 37.442 1.00 48.24 O HETATM 1526 O HOH 125 7.685 11.062 24.955 1.00 47.42 O HETATM 1527 O HOH 126 16.125 -0.118 29.895 1.00 36.25 O HETATM 1528 O HOH 127 12.824 1.424 45.867 1.00 30.00 O HETATM 1529 O HOH 128 -6.710 -13.835 50.241 1.00 30.00 O HETATM 1530 O HOH 129 2.575 12.288 39.234 1.00 30.00 O HETATM 1531 O HOH 130 -9.530 -7.433 28.684 1.00 56.88 O HETATM 1532 O HOH 131 8.859 9.701 23.429 1.00 45.56 O HETATM 1533 O HOH 132 10.614 0.387 46.908 1.00 40.01 O HETATM 1534 O HOH 133 0.865 -12.134 23.201 1.00 40.72 O HETATM 1535 O HOH 134 2.783 10.531 39.975 1.00 30.00 O HETATM 1536 O HOH 135 4.388 -17.994 43.809 1.00 45.96 O HETATM 1537 O HOH 136 -11.447 11.113 35.204 1.00 30.00 O HETATM 1538 O HOH 137 6.445 -1.661 22.701 1.00 37.05 O HETATM 1539 O HOH 138 13.618 9.733 36.454 1.00 42.59 O HETATM 1540 O HOH 139 11.925 0.812 23.544 1.00 37.16 O HETATM 1541 O HOH 140 -3.495 12.007 38.850 1.00 36.51 O HETATM 1542 O HOH 141 -9.135 -5.682 25.367 1.00 47.87 O HETATM 1543 O HOH 142 11.783 -18.233 50.895 1.00 43.81 O HETATM 1544 O HOH 143 13.837 -1.125 27.509 1.00 35.12 O HETATM 1545 O HOH 144 -4.515 -11.520 31.578 1.00 30.00 O HETATM 1546 O HOH 145 8.898 -9.930 49.943 1.00 45.17 O HETATM 1547 O HOH 146 -8.427 -5.050 22.718 1.00 49.09 O HETATM 1548 O HOH 147 7.979 -15.599 49.718 1.00 49.11 O HETATM 1549 O HOH 148 -2.252 -4.813 22.955 1.00 41.45 O HETATM 1550 O HOH 149 15.606 8.916 43.527 1.00 37.01 O HETATM 1551 O HOH 150 7.393 -15.256 46.955 1.00 44.54 O HETATM 1552 O HOH 151 -4.644 11.889 9.684 1.00 54.30 O HETATM 1553 O HOH 152 0.071 14.484 14.989 1.00 43.61 O HETATM 1554 O HOH 153 -1.360 -13.840 35.381 1.00 41.54 O HETATM 1555 O HOH 154 2.409 -15.344 34.832 1.00 42.63 O HETATM 1556 O HOH 155 -0.983 9.148 37.011 1.00 25.23 O HETATM 1557 O HOH 156 7.095 -12.488 47.003 1.00 39.98 O HETATM 1558 O HOH 157 2.008 -18.293 44.212 1.00 49.73 O HETATM 1559 O HOH 158 22.477 -9.709 43.233 1.00 38.84 O HETATM 1560 O HOH 159 17.488 7.243 43.261 1.00 30.33 O HETATM 1561 O HOH 160 -1.587 2.949 20.542 1.00 49.56 O HETATM 1562 O HOH 161 22.328 -8.367 49.459 1.00 39.23 O HETATM 1563 O HOH 162 27.994 4.034 38.090 1.00 33.11 O HETATM 1564 O HOH 163 18.604 -7.279 36.683 1.00 26.61 O HETATM 1565 O HOH 164 14.163 -17.885 34.741 1.00 42.58 O HETATM 1566 O HOH 165 22.815 -11.389 40.723 1.00 35.39 O HETATM 1567 O HOH 166 22.005 -8.971 33.430 1.00 43.30 O HETATM 1568 O HOH 167 21.052 -13.893 34.002 1.00 44.71 O HETATM 1569 O HOH 168 17.475 -16.167 38.234 1.00 48.30 O HETATM 1570 O HOH 169 16.917 -16.159 31.802 1.00 43.51 O HETATM 1571 O HOH 170 24.889 -1.977 32.955 1.00 48.51 O HETATM 1572 C1 PHQ A 171 25.407 -4.847 37.313 1.00 0.20 C HETATM 1573 O1 PHQ A 171 25.011 -4.397 38.377 1.00 -0.33 O HETATM 1574 H2 PHQ A 171 25.740 -4.332 38.983 1.00 0.22 H HETATM 1575 O2 PHQ A 171 26.390 -4.176 36.578 1.00 -0.30 O HETATM 1576 C2 PHQ A 171 27.359 -3.488 37.387 1.00 0.09 C HETATM 1577 C3 PHQ A 171 27.252 -1.986 37.092 1.00 -0.02 C HETATM 1578 C4 PHQ A 171 28.247 -1.343 36.303 1.00 -0.06 C HETATM 1579 C5 PHQ A 171 28.151 0.003 36.039 1.00 -0.07 C HETATM 1580 C6 PHQ A 171 27.080 0.734 36.542 1.00 -0.07 C HETATM 1581 C7 PHQ A 171 26.102 0.097 37.316 1.00 -0.07 C HETATM 1582 C8 PHQ A 171 26.203 -1.270 37.583 1.00 -0.06 C HETATM 1583 H9 PHQ A 171 25.445 -1.762 38.182 1.00 0.06 H HETATM 1584 H8 PHQ A 171 25.266 0.665 37.708 1.00 0.06 H HETATM 1585 H7 PHQ A 171 27.002 1.795 36.335 1.00 0.06 H HETATM 1586 H6 PHQ A 171 28.909 0.494 35.440 1.00 0.06 H HETATM 1587 H5 PHQ A 171 29.080 -1.914 35.910 1.00 0.06 H HETATM 1588 H3 PHQ A 171 28.370 -3.845 37.141 1.00 0.07 H HETATM 1589 H4 PHQ A 171 27.154 -3.674 38.452 1.00 0.07 H HETATM 1590 N PHQ A 171 24.664 -5.155 36.131 1.00 0.29 N HETATM 1591 CA PHQ A 171 23.320 -5.620 36.442 1.00 0.07 C HETATM 1592 C PHQ A 171 23.361 -6.968 37.167 1.00 0.23 C HETATM 1593 O PHQ A 171 24.276 -7.766 36.956 1.00 -0.39 O HETATM 1594 N PHQ A 171 22.376 -7.215 38.030 1.00 -0.26 N HETATM 1595 CA PHQ A 171 22.220 -8.520 38.654 1.00 0.16 C HETATM 1596 C PHQ A 171 21.891 -9.575 37.600 1.00 0.21 C HETATM 1597 O PHQ A 171 21.717 -9.285 36.413 1.00 -0.39 O HETATM 1598 N PHQ A 171 21.792 -10.822 38.050 1.00 -0.26 N HETATM 1599 CA PHQ A 171 21.267 -11.870 37.195 1.00 0.13 C HETATM 1600 C PHQ A 171 19.806 -11.577 36.855 1.00 0.20 C HETATM 1601 O PHQ A 171 19.151 -10.726 37.464 1.00 -0.39 O HETATM 1602 N PHQ A 171 19.299 -12.294 35.860 1.00 -0.26 N HETATM 1603 CA PHQ A 171 17.919 -12.121 35.426 1.00 0.13 C HETATM 1604 C PHQ A 171 17.168 -13.443 35.485 1.00 0.20 C HETATM 1605 O PHQ A 171 17.766 -14.497 35.694 1.00 -0.39 O HETATM 1606 N PHQ A 171 15.855 -13.383 35.297 1.00 -0.26 N HETATM 1607 CA PHQ A 171 15.021 -14.604 35.308 1.00 0.13 C HETATM 1608 C PHQ A 171 13.840 -14.319 34.306 1.00 0.20 C HETATM 1609 O PHQ A 171 13.487 -13.177 34.081 1.00 -0.39 O HETATM 1610 N PHQ A 171 13.182 -15.365 33.668 1.00 -0.30 N HETATM 1611 H55 PHQ A 171 12.433 -15.172 33.034 1.00 0.18 H HETATM 1612 H56 PHQ A 171 13.457 -16.310 33.844 1.00 0.18 H HETATM 1613 CB PHQ A 171 14.474 -14.849 36.753 1.00 -0.01 C HETATM 1614 CG PHQ A 171 13.514 -13.744 37.244 1.00 -0.05 C HETATM 1615 CD PHQ A 171 12.948 -13.935 38.663 1.00 -0.03 C HETATM 1616 CE PHQ A 171 12.341 -12.668 39.313 1.00 0.03 C HETATM 1617 NZ PHQ A 171 11.614 -12.880 40.568 1.00 -0.29 N HETATM 1618 C1 PHQ A 171 11.918 -12.240 41.773 1.00 0.23 C HETATM 1619 C2 PHQ A 171 11.144 -12.488 43.063 1.00 0.18 C HETATM 1620 C3 PHQ A 171 11.285 -12.064 44.351 1.00 -0.04 C HETATM 1621 C4 PHQ A 171 10.240 -12.644 45.118 1.00 -0.06 C HETATM 1622 C5 PHQ A 171 9.528 -13.398 44.246 1.00 0.09 C HETATM 1623 O8 PHQ A 171 10.049 -13.333 42.965 1.00 -0.25 O HETATM 1624 H59 PHQ A 171 8.652 -13.984 44.520 1.00 0.10 H HETATM 1625 H58 PHQ A 171 10.051 -12.511 46.182 1.00 0.04 H HETATM 1626 H57 PHQ A 171 12.061 -11.399 44.725 1.00 0.04 H HETATM 1627 O6 PHQ A 171 12.837 -11.450 41.811 1.00 -0.39 O HETATM 1628 H54 PHQ A 171 10.850 -13.525 40.562 1.00 0.18 H HETATM 1629 H52 PHQ A 171 11.643 -12.220 38.591 1.00 0.05 H HETATM 1630 H53 PHQ A 171 13.163 -11.965 39.514 1.00 0.05 H HETATM 1631 H50 PHQ A 171 13.765 -14.290 39.309 1.00 0.03 H HETATM 1632 H51 PHQ A 171 12.160 -14.701 38.614 1.00 0.03 H HETATM 1633 H48 PHQ A 171 12.666 -13.698 36.545 1.00 0.03 H HETATM 1634 H49 PHQ A 171 14.059 -12.789 37.223 1.00 0.03 H HETATM 1635 H46 PHQ A 171 15.328 -14.901 37.444 1.00 0.03 H HETATM 1636 H47 PHQ A 171 13.935 -15.808 36.763 1.00 0.03 H HETATM 1637 H45 PHQ A 171 15.604 -15.477 34.978 1.00 0.08 H HETATM 1638 H44 PHQ A 171 15.422 -12.495 35.145 1.00 0.19 H HETATM 1639 CB PHQ A 171 17.868 -11.549 34.010 1.00 -0.01 C HETATM 1640 CG PHQ A 171 18.564 -10.210 33.860 1.00 -0.02 C HETATM 1641 CD PHQ A 171 18.518 -9.724 32.420 1.00 0.06 C HETATM 1642 NE PHQ A 171 17.150 -9.512 31.958 1.00 -0.27 N HETATM 1643 CZ PHQ A 171 16.461 -8.390 32.143 1.00 0.29 C HETATM 1644 NH1 PHQ A 171 17.009 -7.367 32.786 1.00 -0.28 N HETATM 1645 H40 PHQ A 171 16.471 -6.500 32.927 1.00 0.26 H HETATM 1646 H41 PHQ A 171 17.972 -7.440 33.144 1.00 0.26 H HETATM 1647 NH2 PHQ A 171 15.221 -8.292 31.684 1.00 -0.28 N HETATM 1648 H42 PHQ A 171 14.793 -9.084 31.184 1.00 0.26 H HETATM 1649 H43 PHQ A 171 14.686 -7.423 31.827 1.00 0.26 H HETATM 1650 H39 PHQ A 171 16.688 -10.283 31.455 1.00 0.26 H HETATM 1651 H37 PHQ A 171 18.998 -10.476 31.776 1.00 0.07 H HETATM 1652 H38 PHQ A 171 19.068 -8.774 32.348 1.00 0.07 H HETATM 1653 H35 PHQ A 171 19.614 -10.315 34.170 1.00 0.03 H HETATM 1654 H36 PHQ A 171 18.064 -9.472 34.504 1.00 0.03 H HETATM 1655 H33 PHQ A 171 16.813 -11.424 33.725 1.00 0.03 H HETATM 1656 H34 PHQ A 171 18.349 -12.267 33.329 1.00 0.03 H HETATM 1657 H32 PHQ A 171 17.428 -11.410 36.107 1.00 0.08 H HETATM 1658 H31 PHQ A 171 19.876 -12.967 35.398 1.00 0.19 H HETATM 1659 CB PHQ A 171 21.399 -13.232 37.874 1.00 -0.02 C HETATM 1660 H28 PHQ A 171 20.996 -14.012 37.212 1.00 0.03 H HETATM 1661 H29 PHQ A 171 20.836 -13.227 38.819 1.00 0.03 H HETATM 1662 H30 PHQ A 171 22.460 -13.438 38.080 1.00 0.03 H HETATM 1663 H27 PHQ A 171 21.849 -11.887 36.262 1.00 0.08 H HETATM 1664 H26 PHQ A 171 22.081 -11.039 38.983 1.00 0.19 H HETATM 1665 CB PHQ A 171 21.115 -8.488 39.708 1.00 0.09 C HETATM 1666 OG1 PHQ A 171 19.840 -8.397 39.058 1.00 -0.39 O HETATM 1667 H22 PHQ A 171 19.719 -9.151 38.493 1.00 0.21 H HETATM 1668 CG2 PHQ A 171 21.293 -7.303 40.641 1.00 -0.03 C HETATM 1669 H23 PHQ A 171 20.487 -7.301 41.390 1.00 0.03 H HETATM 1670 H24 PHQ A 171 21.255 -6.370 40.060 1.00 0.03 H HETATM 1671 H25 PHQ A 171 22.265 -7.379 41.149 1.00 0.03 H HETATM 1672 H21 PHQ A 171 21.156 -9.416 40.297 1.00 0.06 H HETATM 1673 H20 PHQ A 171 23.167 -8.790 39.143 1.00 0.08 H HETATM 1674 H19 PHQ A 171 21.729 -6.486 38.254 1.00 0.19 H HETATM 1675 CB PHQ A 171 22.485 -5.722 35.158 1.00 0.02 C HETATM 1676 CG PHQ A 171 21.128 -6.357 35.363 1.00 0.04 C HETATM 1677 CD PHQ A 171 20.241 -6.316 34.141 1.00 0.17 C HETATM 1678 OE1 PHQ A 171 19.402 -7.192 33.948 1.00 -0.40 O HETATM 1679 NE2 PHQ A 171 20.409 -5.292 33.314 1.00 -0.30 N HETATM 1680 H17 PHQ A 171 19.847 -5.217 32.490 1.00 0.18 H HETATM 1681 H18 PHQ A 171 21.097 -4.595 33.515 1.00 0.18 H HETATM 1682 H15 PHQ A 171 20.617 -5.826 36.179 1.00 0.05 H HETATM 1683 H16 PHQ A 171 21.277 -7.409 35.647 1.00 0.05 H HETATM 1684 H13 PHQ A 171 23.044 -6.325 34.428 1.00 0.04 H HETATM 1685 H14 PHQ A 171 22.337 -4.708 34.759 1.00 0.04 H HETATM 1686 H12 PHQ A 171 22.845 -4.885 37.108 1.00 0.11 H HETATM 1687 H10 PHQ A 171 25.148 -5.876 35.620 1.00 0.21 H HETATM 1688 H11 PHQ A 171 24.599 -4.326 35.562 1.00 0.21 H HETATM 1689 H1 PHQ A 171 25.839 -5.802 37.647 1.00 0.16 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1572 1573 1575 1590 1689 CONECT 1573 1572 1574 CONECT 1574 1573 CONECT 1575 1572 1576 CONECT 1576 1575 1577 1588 1589 CONECT 1577 1576 1578 1582 CONECT 1578 1577 1579 1587 CONECT 1579 1578 1580 1586 CONECT 1580 1579 1581 1585 CONECT 1581 1580 1582 1584 CONECT 1582 1577 1581 1583 CONECT 1583 1582 CONECT 1584 1581 CONECT 1585 1580 CONECT 1586 1579 CONECT 1587 1578 CONECT 1588 1576 CONECT 1589 1576 CONECT 1590 1572 1591 1687 1688 CONECT 1591 1590 1592 1675 1686 CONECT 1592 1591 1593 1594 CONECT 1593 1592 CONECT 1594 1592 1595 1674 CONECT 1595 1594 1596 1665 1673 CONECT 1596 1595 1597 1598 CONECT 1597 1596 CONECT 1598 1596 1599 1664 CONECT 1599 1598 1600 1659 1663 CONECT 1600 1599 1601 1602 CONECT 1601 1600 CONECT 1602 1600 1603 1658 CONECT 1603 1602 1604 1639 1657 CONECT 1604 1603 1605 1606 CONECT 1605 1604 CONECT 1606 1604 1607 1638 CONECT 1607 1606 1608 1613 1637 CONECT 1608 1607 1609 1610 CONECT 1609 1608 CONECT 1610 1608 1611 1612 CONECT 1611 1610 CONECT 1612 1610 CONECT 1613 1607 1614 1635 1636 CONECT 1614 1613 1615 1633 1634 CONECT 1615 1614 1616 1631 1632 CONECT 1616 1615 1617 1629 1630 CONECT 1617 1616 1618 1628 CONECT 1618 1617 1619 1627 CONECT 1619 1618 1620 1623 CONECT 1620 1619 1621 1626 CONECT 1621 1620 1622 1625 CONECT 1622 1621 1623 1624 CONECT 1623 1619 1622 CONECT 1624 1622 CONECT 1625 1621 CONECT 1626 1620 CONECT 1627 1618 CONECT 1628 1617 CONECT 1629 1616 CONECT 1630 1616 CONECT 1631 1615 CONECT 1632 1615 CONECT 1633 1614 CONECT 1634 1614 CONECT 1635 1613 CONECT 1636 1613 CONECT 1637 1607 CONECT 1638 1606 CONECT 1639 1603 1640 1655 1656 CONECT 1640 1639 1641 1653 1654 CONECT 1641 1640 1642 1651 1652 CONECT 1642 1641 1643 1650 CONECT 1643 1642 1644 1647 CONECT 1644 1643 1645 1646 CONECT 1645 1644 CONECT 1646 1644 CONECT 1647 1643 1648 1649 CONECT 1648 1647 CONECT 1649 1647 CONECT 1650 1642 CONECT 1651 1641 CONECT 1652 1641 CONECT 1653 1640 CONECT 1654 1640 CONECT 1655 1639 CONECT 1656 1639 CONECT 1657 1603 CONECT 1658 1602 CONECT 1659 1599 1660 1661 1662 CONECT 1660 1659 CONECT 1661 1659 CONECT 1662 1659 CONECT 1663 1599 CONECT 1664 1598 CONECT 1665 1595 1666 1668 1672 CONECT 1666 1665 1667 CONECT 1667 1666 CONECT 1668 1665 1669 1670 1671 CONECT 1669 1668 CONECT 1670 1668 CONECT 1671 1668 CONECT 1672 1665 CONECT 1673 1595 CONECT 1674 1594 CONECT 1675 1591 1676 1684 1685 CONECT 1676 1675 1677 1682 1683 CONECT 1677 1676 1678 1679 CONECT 1678 1677 CONECT 1679 1677 1680 1681 CONECT 1680 1679 CONECT 1681 1679 CONECT 1682 1676 CONECT 1683 1676 CONECT 1684 1675 CONECT 1685 1675 CONECT 1686 1591 CONECT 1687 1590 CONECT 1688 1590 CONECT 1689 1572 MASTER 0 0 0 0 0 0 0 0 1688 1 122 11 END
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1okw
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1slg
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1tze
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2pv1
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2q3z
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3nzi
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PDBbind
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4dvf
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4ezw
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4ezx
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Entry Information
PDB ID
5yyf
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
AF9 YEATS domain
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=0.33uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Nat. Chem. Biol. Vol. 14: pp. 1140-1149
Ligand Properties
Formula
C
3
7
H
5
9
N
1
1
O
1
1
Molecular Weight
833.931
Exact Mass
833.440
No. of atoms
118
No. of bonds
119
Polar Surface Area
377.13
LOGP Value
-0.75 (
Computed with XLOGP3
)
-1.42 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 35
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 2
Canonical SMILES
NC(=O)CC[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)CCCCNC(=O)c1ccco1)CCC[NH+]=C(N)N)C)[C@H](O)C)[NH2+][C@@H](OCc1ccccc1)O
InChI String
InChI=1S/C37H57N11O11/c1-21(44-35(56)29(22(2)49)48-33(54)26(15-16-28(38)50)47-37(57)59-20-23-10-4-3-5-11-23)31(52)46-25(13-8-18-43-36(40)41)32(53)45-24(30(39)51)12-6-7-17-42-34(55)27-14-9-19-58-27/h3-5,9-11,14,19,21-22,24-26,29,37,47,49,57H,6-8,12-13,15-18,20H2,1-2H3,(H2,38,50)(H2,39,51)(H,42,55)(H,44,56)(H,45,53)(H,46,52)(H,48,54)(H4,40,41,43)/p+2/t21-,22+,24-,25-,26-,29-,37+/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
Entrez Gene ID
NCBI Entrez Gene ID:
4300
ASD
Information of known allosteric effects of PDB entries
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