Browse entries in the PDBbind-CN Database
HEADER 6TYZ_COMPLEX COMPND 6TYZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 LYS SER ALA VAL VAL LEU CYS MET ASP VAL GLY LEU ALA SEQRES 2 A 164 MET SER HIS SER ASN GLN GLY LYS GLU SER PRO PHE GLU SEQRES 3 A 164 GLN ALA LYS LYS VAL MET MET LEU PHE LEU GLN ARG GLN SEQRES 4 A 164 VAL PHE ALA GLU SER LYS ASP GLU ILE ALA VAL VAL LEU SEQRES 5 A 164 TYR GLY THR ASP THR THR ASP ASN ALA LEU ALA ARG GLU SEQRES 6 A 164 ASP GLN TYR GLU ASN ILE SER VAL HIS ARG HIS LEU MET SEQRES 7 A 164 LEU PRO ASP PHE ASP LEU LEU GLU GLN ILE GLU ASN VAL SEQRES 8 A 164 VAL GLU PRO GLY SER VAL GLN ALA ASP PHE LEU ASP ALA SEQRES 9 A 164 LEU ILE VAL SER MET ASP LEU LEU GLN LYS GLU THR LEU SEQRES 10 A 164 GLY LYS LYS TYR THR ARG LEU HIS ILE ALA VAL PHE SER SEQRES 11 A 164 ASP LEU SER SER PRO PHE SER VAL ASP GLN LEU GLU VAL SEQRES 12 A 164 ILE ILE ALA ASN LEU LYS LYS ALA GLU ILE THR LEU GLN SEQRES 13 A 164 PHE PHE LEU PRO PHE SER VAL ASP SEQRES 1 A 45 GLY PRO GLY LYS GLY LEU SER ASP GLN GLN LYS GLU GLY SEQRES 2 A 45 ILE GLU MET VAL ARG LYS ILE MET PHE SER LEU ASP GLY SEQRES 3 A 45 GLU GLU GLY LEU SER GLU VAL PHE THR PHE ARG ASP SER SEQRES 4 A 45 LEU GLU ARG LEU SER ILE HET GLU A 382 218 ATOM 1 N LYS A 6 19.602 -13.830 12.739 1.00 50.51 N ATOM 2 CA LYS A 6 18.311 -13.161 12.603 1.00 45.95 C ATOM 3 C LYS A 6 17.912 -12.438 13.882 1.00 43.70 C ATOM 4 O LYS A 6 18.153 -12.927 14.988 1.00 42.38 O ATOM 5 CB LYS A 6 17.214 -14.165 12.238 1.00 38.11 C ATOM 6 CG LYS A 6 17.006 -15.266 13.268 1.00 49.69 C ATOM 7 CD LYS A 6 15.767 -16.089 12.970 1.00 48.43 C ATOM 8 CE LYS A 6 15.688 -17.304 13.873 1.00 55.50 C ATOM 9 NZ LYS A 6 14.434 -18.073 13.643 1.00 61.17 N ATOM 10 HZ1 LYS A 6 13.614 -17.463 13.838 1.00 0.00 H ATOM 11 HZ2 LYS A 6 14.402 -18.394 12.654 1.00 0.00 H ATOM 12 HZ3 LYS A 6 14.413 -18.897 14.277 1.00 0.00 H ATOM 13 HN3 LYS A 6 19.550 -14.529 13.507 1.00 0.00 H ATOM 14 HN2 LYS A 6 20.335 -13.125 12.959 1.00 0.00 H ATOM 15 HN1 LYS A 6 19.838 -14.310 11.847 1.00 0.00 H ATOM 16 N SER A 7 17.284 -11.280 13.725 1.00 39.02 N ATOM 17 CA SER A 7 16.705 -10.568 14.849 1.00 34.95 C ATOM 18 C SER A 7 15.184 -10.632 14.772 1.00 26.10 C ATOM 19 O SER A 7 14.595 -10.993 13.747 1.00 27.81 O ATOM 20 CB SER A 7 17.194 -9.119 14.900 1.00 40.41 C ATOM 21 OG SER A 7 16.700 -8.369 13.811 1.00 46.36 O ATOM 22 HG SER A 7 17.011 -8.776 12.964 1.00 0.00 H ATOM 23 H SER A 7 17.205 -10.872 12.772 1.00 0.00 H ATOM 24 N ALA A 8 14.564 -10.363 15.913 1.00 22.17 N ATOM 25 CA ALA A 8 13.118 -10.280 16.050 1.00 21.34 C ATOM 26 C ALA A 8 12.795 -8.837 16.403 1.00 22.38 C ATOM 27 O ALA A 8 13.273 -8.327 17.421 1.00 27.23 O ATOM 28 CB ALA A 8 12.596 -11.225 17.133 1.00 25.48 C ATOM 29 H ALA A 8 15.146 -10.202 16.760 1.00 0.00 H ATOM 30 N VAL A 9 11.999 -8.184 15.560 1.00 21.45 N ATOM 31 CA VAL A 9 11.688 -6.768 15.703 1.00 19.76 C ATOM 32 C VAL A 9 10.181 -6.593 15.764 1.00 19.47 C ATOM 33 O VAL A 9 9.458 -7.137 14.925 1.00 24.05 O ATOM 34 CB VAL A 9 12.260 -5.961 14.528 1.00 25.02 C ATOM 35 CG1 VAL A 9 12.027 -4.497 14.757 1.00 24.62 C ATOM 36 CG2 VAL A 9 13.742 -6.257 14.319 1.00 28.66 C ATOM 37 H VAL A 9 11.581 -8.707 14.764 1.00 0.00 H ATOM 38 N VAL A 10 9.706 -5.801 16.720 1.00 19.07 N ATOM 39 CA VAL A 10 8.325 -5.324 16.717 1.00 16.27 C ATOM 40 C VAL A 10 8.341 -3.846 16.354 1.00 17.69 C ATOM 41 O VAL A 10 8.951 -3.037 17.067 1.00 19.65 O ATOM 42 CB VAL A 10 7.608 -5.518 18.060 1.00 17.10 C ATOM 43 CG1 VAL A 10 6.134 -5.111 17.930 1.00 17.68 C ATOM 44 CG2 VAL A 10 7.727 -6.959 18.557 1.00 19.04 C ATOM 45 H VAL A 10 10.337 -5.512 17.494 1.00 0.00 H ATOM 46 N LEU A 11 7.625 -3.495 15.294 1.00 16.96 N ATOM 47 CA LEU A 11 7.287 -2.100 15.014 1.00 14.71 C ATOM 48 C LEU A 11 5.992 -1.789 15.755 1.00 17.28 C ATOM 49 O LEU A 11 4.933 -2.351 15.446 1.00 17.91 O ATOM 50 CB LEU A 11 7.146 -1.856 13.518 1.00 14.98 C ATOM 51 CG LEU A 11 8.334 -2.317 12.678 1.00 17.06 C ATOM 52 CD1 LEU A 11 8.069 -2.152 11.167 1.00 19.81 C ATOM 53 CD2 LEU A 11 9.627 -1.626 13.099 1.00 20.96 C ATOM 54 H LEU A 11 7.294 -4.235 14.642 1.00 0.00 H ATOM 55 N CYS A 12 6.075 -0.894 16.733 1.00 15.50 N ATOM 56 CA CYS A 12 4.963 -0.562 17.619 1.00 15.63 C ATOM 57 C CYS A 12 4.567 0.865 17.276 1.00 17.25 C ATOM 58 O CYS A 12 5.211 1.817 17.723 1.00 18.40 O ATOM 59 CB CYS A 12 5.376 -0.706 19.079 1.00 16.77 C ATOM 60 SG CYS A 12 4.070 -0.445 20.269 1.00 17.81 S ATOM 61 H CYS A 12 6.981 -0.403 16.875 1.00 0.00 H ATOM 62 N MET A 13 3.486 0.996 16.521 1.00 15.87 N ATOM 63 CA MET A 13 3.153 2.228 15.816 1.00 14.50 C ATOM 64 C MET A 13 1.902 2.855 16.412 1.00 15.50 C ATOM 65 O MET A 13 0.835 2.232 16.433 1.00 14.34 O ATOM 66 CB MET A 13 2.934 1.952 14.332 1.00 16.02 C ATOM 67 CG MET A 13 3.956 1.003 13.717 1.00 23.43 C ATOM 68 SD MET A 13 5.623 1.674 13.717 1.00 22.50 S ATOM 69 CE MET A 13 5.461 2.948 12.468 1.00 19.88 C ATOM 70 H MET A 13 2.845 0.182 16.427 1.00 0.00 H ATOM 71 N ASP A 14 2.030 4.111 16.844 1.00 14.40 N ATOM 72 CA ASP A 14 0.891 4.915 17.266 1.00 14.16 C ATOM 73 C ASP A 14 0.093 5.341 16.042 1.00 15.87 C ATOM 74 O ASP A 14 0.616 6.067 15.195 1.00 16.95 O ATOM 75 CB ASP A 14 1.445 6.135 18.000 1.00 14.74 C ATOM 76 CG ASP A 14 0.394 6.961 18.740 1.00 17.46 C ATOM 77 OD1 ASP A 14 -0.829 6.805 18.546 1.00 19.46 O ATOM 78 OD2 ASP A 14 0.843 7.814 19.542 1.00 18.89 O ATOM 79 H ASP A 14 2.980 4.532 16.881 1.00 0.00 H ATOM 80 N VAL A 15 -1.160 4.915 15.951 1.00 16.34 N ATOM 81 CA VAL A 15 -2.075 5.370 14.902 1.00 18.37 C ATOM 82 C VAL A 15 -3.232 6.177 15.493 1.00 16.45 C ATOM 83 O VAL A 15 -4.258 6.380 14.835 1.00 21.17 O ATOM 84 CB VAL A 15 -2.592 4.193 14.059 1.00 18.99 C ATOM 85 CG1 VAL A 15 -1.430 3.489 13.403 1.00 19.98 C ATOM 86 CG2 VAL A 15 -3.393 3.224 14.915 1.00 20.62 C ATOM 87 H VAL A 15 -1.507 4.230 16.653 1.00 0.00 H ATOM 88 N GLY A 16 -3.056 6.681 16.704 1.00 16.54 N ATOM 89 CA GLY A 16 -4.089 7.460 17.359 1.00 18.79 C ATOM 90 C GLY A 16 -4.411 8.757 16.623 1.00 17.57 C ATOM 91 O GLY A 16 -3.678 9.261 15.770 1.00 19.54 O ATOM 92 H GLY A 16 -2.156 6.514 17.197 1.00 0.00 H ATOM 93 N LEU A 17 -5.544 9.328 17.023 1.00 20.59 N ATOM 94 CA LEU A 17 -6.135 10.425 16.270 1.00 22.09 C ATOM 95 C LEU A 17 -5.164 11.599 16.107 1.00 19.01 C ATOM 96 O LEU A 17 -5.085 12.194 15.025 1.00 18.40 O ATOM 97 CB LEU A 17 -7.435 10.839 16.960 1.00 28.68 C ATOM 98 CG LEU A 17 -8.389 11.797 16.245 1.00 28.31 C ATOM 99 CD1 LEU A 17 -8.719 11.365 14.825 1.00 31.04 C ATOM 100 CD2 LEU A 17 -9.656 11.918 17.054 1.00 37.70 C ATOM 101 H LEU A 17 -6.014 8.986 17.885 1.00 0.00 H ATOM 102 N ALA A 18 -4.385 11.926 17.146 1.00 20.70 N ATOM 103 CA ALA A 18 -3.478 13.073 17.051 1.00 21.75 C ATOM 104 C ALA A 18 -2.432 12.900 15.956 1.00 18.77 C ATOM 105 O ALA A 18 -1.926 13.891 15.412 1.00 17.90 O ATOM 106 CB ALA A 18 -2.768 13.311 18.386 1.00 20.25 C ATOM 107 H ALA A 18 -4.424 11.365 18.021 1.00 0.00 H ATOM 108 N MET A 19 -2.075 11.655 15.637 1.00 16.95 N ATOM 109 CA MET A 19 -1.087 11.399 14.606 1.00 15.09 C ATOM 110 C MET A 19 -1.545 11.859 13.229 1.00 17.33 C ATOM 111 O MET A 19 -0.703 12.067 12.344 1.00 18.89 O ATOM 112 CB MET A 19 -0.769 9.905 14.544 1.00 16.54 C ATOM 113 CG MET A 19 -0.133 9.364 15.794 1.00 17.70 C ATOM 114 SD MET A 19 1.570 9.867 16.030 1.00 18.53 S ATOM 115 CE MET A 19 2.402 9.046 14.714 1.00 20.78 C ATOM 116 H MET A 19 -2.512 10.854 16.136 1.00 0.00 H ATOM 117 N SER A 20 -2.857 11.987 13.025 1.00 16.25 N ATOM 118 CA SER A 20 -3.443 12.387 11.745 1.00 17.64 C ATOM 119 C SER A 20 -3.411 13.889 11.508 1.00 15.96 C ATOM 120 O SER A 20 -3.759 14.329 10.402 1.00 18.74 O ATOM 121 CB SER A 20 -4.912 11.947 11.662 1.00 21.55 C ATOM 122 OG SER A 20 -5.758 12.746 12.525 1.00 29.56 O ATOM 123 HG SER A 20 -5.455 12.650 13.463 1.00 0.00 H ATOM 124 H SER A 20 -3.499 11.792 13.820 1.00 0.00 H ATOM 125 N HIS A 21 -3.061 14.693 12.515 1.00 16.45 N ATOM 126 CA HIS A 21 -3.109 16.136 12.347 1.00 16.64 C ATOM 127 C HIS A 21 -1.931 16.585 11.507 1.00 16.66 C ATOM 128 O HIS A 21 -0.778 16.379 11.898 1.00 19.75 O ATOM 129 CB HIS A 21 -3.092 16.826 13.705 1.00 16.31 C ATOM 130 CG HIS A 21 -3.190 18.305 13.608 1.00 17.72 C ATOM 131 ND1 HIS A 21 -4.347 18.935 13.221 1.00 18.38 N ATOM 132 CD2 HIS A 21 -2.267 19.271 13.791 1.00 18.82 C ATOM 133 CE1 HIS A 21 -4.136 20.239 13.187 1.00 18.55 C ATOM 134 NE2 HIS A 21 -2.885 20.466 13.545 1.00 19.07 N ATOM 135 H HIS A 21 -2.753 14.286 13.421 1.00 0.00 H ATOM 136 N SER A 22 -2.216 17.207 10.363 1.00 17.88 N ATOM 137 CA SER A 22 -1.179 17.568 9.400 1.00 17.59 C ATOM 138 C SER A 22 -0.871 19.053 9.489 1.00 19.52 C ATOM 139 O SER A 22 -1.586 19.898 8.927 1.00 19.61 O ATOM 140 CB SER A 22 -1.595 17.183 7.988 1.00 24.74 C ATOM 141 OG SER A 22 -0.443 17.195 7.174 1.00 26.74 O ATOM 142 HG SER A 22 0.215 16.544 7.526 1.00 0.00 H ATOM 143 H SER A 22 -3.206 17.442 10.150 1.00 0.00 H ATOM 144 N ASN A 23 0.231 19.361 10.169 1.00 17.90 N ATOM 145 CA ASN A 23 0.672 20.743 10.286 1.00 20.36 C ATOM 146 C ASN A 23 2.184 20.906 10.202 1.00 27.99 C ATOM 147 O ASN A 23 2.680 22.010 10.459 1.00 37.26 O ATOM 148 CB ASN A 23 0.169 21.361 11.596 1.00 19.80 C ATOM 149 CG ASN A 23 0.824 20.737 12.813 1.00 18.57 C ATOM 150 OD1 ASN A 23 1.494 19.712 12.725 1.00 19.92 O ATOM 151 ND2 ASN A 23 0.602 21.342 13.962 1.00 20.10 N ATOM 152 HD22 ASN A 23 0.028 22.209 13.991 1.00 0.00 H ATOM 153 HD21 ASN A 23 1.001 20.953 14.840 1.00 0.00 H ATOM 154 H ASN A 23 0.783 18.605 10.622 1.00 0.00 H ATOM 155 N GLN A 24 2.925 19.875 9.809 1.00 27.97 N ATOM 156 CA GLN A 24 4.361 19.983 9.586 1.00 39.02 C ATOM 157 C GLN A 24 4.635 19.441 8.191 1.00 28.89 C ATOM 158 O GLN A 24 4.342 18.278 7.916 1.00 33.34 O ATOM 159 CB GLN A 24 5.157 19.195 10.637 1.00 52.79 C ATOM 160 CG GLN A 24 4.738 19.418 12.108 1.00 68.54 C ATOM 161 CD GLN A 24 5.228 20.745 12.699 1.00 62.05 C ATOM 162 OE1 GLN A 24 5.470 21.712 11.970 1.00 70.32 O ATOM 163 NE2 GLN A 24 5.384 20.787 14.032 1.00 41.62 N ATOM 164 HE22 GLN A 24 5.168 19.948 14.608 1.00 0.00 H ATOM 165 HE21 GLN A 24 5.721 21.658 14.489 1.00 0.00 H ATOM 166 H GLN A 24 2.462 18.956 9.655 1.00 0.00 H ATOM 167 N GLY A 25 5.159 20.284 7.317 1.00 32.07 N ATOM 168 CA GLY A 25 5.448 19.809 5.977 1.00 31.03 C ATOM 169 C GLY A 25 4.211 19.277 5.273 1.00 35.75 C ATOM 170 O GLY A 25 3.082 19.719 5.500 1.00 55.72 O ATOM 171 H GLY A 25 5.360 21.269 7.585 1.00 0.00 H ATOM 172 N LYS A 26 4.435 18.291 4.404 1.00 26.58 N ATOM 173 CA LYS A 26 3.404 17.762 3.519 1.00 29.29 C ATOM 174 C LYS A 26 2.684 16.549 4.085 1.00 27.12 C ATOM 175 O LYS A 26 1.616 16.195 3.574 1.00 30.47 O ATOM 176 CB LYS A 26 4.017 17.366 2.166 1.00 34.29 C ATOM 177 H LYS A 26 5.389 17.880 4.355 1.00 0.00 H ATOM 178 N GLU A 27 3.236 15.915 5.120 1.00 25.46 N ATOM 179 CA GLU A 27 2.735 14.653 5.637 1.00 25.19 C ATOM 180 C GLU A 27 2.481 14.773 7.133 1.00 24.81 C ATOM 181 O GLU A 27 3.268 15.380 7.860 1.00 29.48 O ATOM 182 CB GLU A 27 3.743 13.528 5.361 1.00 27.19 C ATOM 183 CG GLU A 27 3.972 13.234 3.887 1.00 41.69 C ATOM 184 CD GLU A 27 5.119 12.251 3.649 1.00 48.82 C ATOM 185 OE1 GLU A 27 5.845 11.925 4.616 1.00 47.80 O ATOM 186 OE2 GLU A 27 5.293 11.805 2.495 1.00 59.17 O ATOM 187 H GLU A 27 4.065 16.344 5.579 1.00 0.00 H ATOM 188 N SER A 28 1.368 14.206 7.587 1.00 20.89 N ATOM 189 CA SER A 28 1.117 14.098 9.013 1.00 21.14 C ATOM 190 C SER A 28 2.101 13.123 9.649 1.00 24.84 C ATOM 191 O SER A 28 2.723 12.313 8.958 1.00 19.84 O ATOM 192 CB SER A 28 -0.298 13.585 9.269 1.00 22.03 C ATOM 193 OG SER A 28 -0.416 12.237 8.805 1.00 21.61 O ATOM 194 HG SER A 28 -1.335 11.910 8.974 1.00 0.00 H ATOM 195 H SER A 28 0.668 13.835 6.913 1.00 0.00 H ATOM 196 N PRO A 29 2.212 13.140 10.977 1.00 18.83 N ATOM 197 CA PRO A 29 3.029 12.112 11.641 1.00 19.61 C ATOM 198 C PRO A 29 2.609 10.700 11.283 1.00 19.20 C ATOM 199 O PRO A 29 3.484 9.845 11.088 1.00 18.99 O ATOM 200 CB PRO A 29 2.832 12.423 13.130 1.00 17.73 C ATOM 201 CG PRO A 29 2.617 13.913 13.133 1.00 19.03 C ATOM 202 CD PRO A 29 1.756 14.176 11.923 1.00 19.88 C ATOM 203 N PHE A 30 1.303 10.441 11.160 1.00 18.37 N ATOM 204 CA PHE A 30 0.856 9.112 10.744 1.00 18.53 C ATOM 205 C PHE A 30 1.410 8.762 9.374 1.00 18.91 C ATOM 206 O PHE A 30 1.946 7.669 9.169 1.00 18.52 O ATOM 207 CB PHE A 30 -0.666 9.036 10.721 1.00 19.49 C ATOM 208 CG PHE A 30 -1.186 7.767 10.099 1.00 19.92 C ATOM 209 CD1 PHE A 30 -1.364 6.616 10.859 1.00 20.12 C ATOM 210 CD2 PHE A 30 -1.453 7.720 8.752 1.00 20.90 C ATOM 211 CE1 PHE A 30 -1.829 5.458 10.269 1.00 21.66 C ATOM 212 CE2 PHE A 30 -1.915 6.562 8.155 1.00 21.68 C ATOM 213 CZ PHE A 30 -2.098 5.430 8.918 1.00 20.88 C ATOM 214 H PHE A 30 0.605 11.185 11.360 1.00 0.00 H ATOM 215 N GLU A 31 1.278 9.674 8.417 1.00 19.81 N ATOM 216 CA GLU A 31 1.758 9.378 7.071 1.00 20.34 C ATOM 217 C GLU A 31 3.266 9.186 7.059 1.00 20.06 C ATOM 218 O GLU A 31 3.780 8.301 6.361 1.00 22.13 O ATOM 219 CB GLU A 31 1.346 10.488 6.095 1.00 22.49 C ATOM 220 CG GLU A 31 -0.143 10.553 5.854 1.00 23.94 C ATOM 221 CD GLU A 31 -0.607 11.863 5.194 1.00 30.57 C ATOM 222 OE1 GLU A 31 -0.041 12.960 5.471 1.00 26.98 O ATOM 223 OE2 GLU A 31 -1.565 11.792 4.386 1.00 34.13 O ATOM 224 H GLU A 31 0.836 10.592 8.625 1.00 0.00 H ATOM 225 N GLN A 32 3.994 10.012 7.809 1.00 19.30 N ATOM 226 CA GLN A 32 5.443 9.870 7.881 1.00 18.25 C ATOM 227 C GLN A 32 5.837 8.520 8.461 1.00 19.87 C ATOM 228 O GLN A 32 6.754 7.865 7.957 1.00 21.01 O ATOM 229 CB GLN A 32 6.054 10.974 8.729 1.00 21.02 C ATOM 230 CG GLN A 32 5.893 12.369 8.207 1.00 28.68 C ATOM 231 CD GLN A 32 6.448 13.343 9.225 1.00 30.46 C ATOM 232 OE1 GLN A 32 7.514 13.087 9.798 1.00 31.37 O ATOM 233 NE2 GLN A 32 5.714 14.420 9.507 1.00 31.84 N ATOM 234 HE22 GLN A 32 4.824 14.591 8.997 1.00 0.00 H ATOM 235 HE21 GLN A 32 6.031 15.089 10.237 1.00 0.00 H ATOM 236 H GLN A 32 3.524 10.766 8.349 1.00 0.00 H ATOM 237 N ALA A 33 5.179 8.107 9.551 1.00 19.17 N ATOM 238 CA ALA A 33 5.554 6.855 10.199 1.00 18.82 C ATOM 239 C ALA A 33 5.228 5.679 9.298 1.00 21.02 C ATOM 240 O ALA A 33 6.016 4.734 9.187 1.00 21.52 O ATOM 241 CB ALA A 33 4.845 6.720 11.547 1.00 19.13 C ATOM 242 H ALA A 33 4.400 8.679 9.936 1.00 0.00 H ATOM 243 N LYS A 34 4.082 5.728 8.624 1.00 18.18 N ATOM 244 CA LYS A 34 3.747 4.659 7.694 1.00 18.17 C ATOM 245 C LYS A 34 4.782 4.575 6.581 1.00 22.52 C ATOM 246 O LYS A 34 5.169 3.479 6.150 1.00 21.47 O ATOM 247 CB LYS A 34 2.343 4.881 7.124 1.00 21.14 C ATOM 248 CG LYS A 34 1.881 3.812 6.160 1.00 22.66 C ATOM 249 CD LYS A 34 0.420 3.986 5.784 1.00 25.22 C ATOM 250 CE LYS A 34 -0.086 2.853 4.896 1.00 32.98 C ATOM 251 NZ LYS A 34 -1.553 2.978 4.645 1.00 32.85 N ATOM 252 HZ1 LYS A 34 -2.063 2.943 5.551 1.00 0.00 H ATOM 253 HZ2 LYS A 34 -1.747 3.883 4.171 1.00 0.00 H ATOM 254 HZ3 LYS A 34 -1.868 2.194 4.039 1.00 0.00 H ATOM 255 H LYS A 34 3.429 6.526 8.761 1.00 0.00 H ATOM 256 N LYS A 35 5.245 5.724 6.097 1.00 21.72 N ATOM 257 CA LYS A 35 6.230 5.719 5.021 1.00 21.36 C ATOM 258 C LYS A 35 7.528 5.069 5.475 1.00 22.46 C ATOM 259 O LYS A 35 8.121 4.266 4.746 1.00 25.64 O ATOM 260 CB LYS A 35 6.486 7.145 4.541 1.00 23.33 C ATOM 261 CG LYS A 35 7.528 7.231 3.419 1.00 25.72 C ATOM 262 CD LYS A 35 7.598 8.634 2.825 1.00 31.81 C ATOM 263 CE LYS A 35 8.217 9.643 3.778 1.00 58.82 C ATOM 264 NZ LYS A 35 9.674 9.405 3.998 1.00 75.75 N ATOM 265 HZ1 LYS A 35 9.812 8.457 4.402 1.00 0.00 H ATOM 266 HZ2 LYS A 35 10.176 9.473 3.090 1.00 0.00 H ATOM 267 HZ3 LYS A 35 10.046 10.120 4.655 1.00 0.00 H ATOM 268 H LYS A 35 4.905 6.627 6.486 1.00 0.00 H ATOM 269 N VAL A 36 8.013 5.439 6.659 1.00 21.95 N ATOM 270 CA VAL A 36 9.218 4.813 7.190 1.00 21.94 C ATOM 271 C VAL A 36 9.019 3.314 7.322 1.00 22.10 C ATOM 272 O VAL A 36 9.888 2.520 6.949 1.00 22.96 O ATOM 273 CB VAL A 36 9.607 5.443 8.536 1.00 25.50 C ATOM 274 CG1 VAL A 36 10.670 4.578 9.261 1.00 25.67 C ATOM 275 CG2 VAL A 36 10.115 6.839 8.299 1.00 27.16 C ATOM 276 H VAL A 36 7.530 6.178 7.208 1.00 0.00 H ATOM 277 N MET A 37 7.876 2.903 7.870 1.00 19.41 N ATOM 278 CA MET A 37 7.609 1.478 8.023 1.00 21.27 C ATOM 279 C MET A 37 7.671 0.779 6.671 1.00 19.68 C ATOM 280 O MET A 37 8.324 -0.264 6.521 1.00 19.70 O ATOM 281 CB MET A 37 6.247 1.260 8.692 1.00 21.24 C ATOM 282 CG MET A 37 5.823 -0.208 8.745 1.00 21.20 C ATOM 283 SD MET A 37 4.387 -0.573 9.782 1.00 22.56 S ATOM 284 CE MET A 37 3.345 0.853 9.502 1.00 26.64 C ATOM 285 H MET A 37 7.173 3.600 8.189 1.00 0.00 H ATOM 286 N MET A 38 7.026 1.360 5.660 1.00 20.65 N ATOM 287 CA MET A 38 7.023 0.745 4.340 1.00 21.61 C ATOM 288 C MET A 38 8.428 0.680 3.762 1.00 20.18 C ATOM 289 O MET A 38 8.810 -0.340 3.179 1.00 22.93 O ATOM 290 CB MET A 38 6.106 1.522 3.403 1.00 24.48 C ATOM 291 CG MET A 38 4.620 1.346 3.683 1.00 31.55 C ATOM 292 SD MET A 38 4.027 -0.318 3.358 1.00 41.37 S ATOM 293 CE MET A 38 4.590 -0.605 1.678 1.00 43.62 C ATOM 294 H MET A 38 6.522 2.257 5.814 1.00 0.00 H ATOM 295 N LEU A 39 9.211 1.757 3.900 1.00 23.29 N ATOM 296 CA LEU A 39 10.562 1.745 3.342 1.00 19.79 C ATOM 297 C LEU A 39 11.424 0.698 4.040 1.00 22.39 C ATOM 298 O LEU A 39 12.214 -0.005 3.393 1.00 21.80 O ATOM 299 CB LEU A 39 11.201 3.123 3.462 1.00 22.84 C ATOM 300 CG LEU A 39 10.638 4.177 2.507 1.00 23.64 C ATOM 301 CD1 LEU A 39 11.047 5.558 2.959 1.00 24.62 C ATOM 302 CD2 LEU A 39 11.122 3.911 1.089 1.00 25.07 C ATOM 303 H LEU A 39 8.860 2.598 4.402 1.00 0.00 H ATOM 304 N PHE A 40 11.296 0.601 5.368 1.00 19.49 N ATOM 305 CA PHE A 40 12.033 -0.398 6.125 1.00 21.81 C ATOM 306 C PHE A 40 11.657 -1.793 5.672 1.00 20.97 C ATOM 307 O PHE A 40 12.528 -2.620 5.410 1.00 21.16 O ATOM 308 CB PHE A 40 11.762 -0.211 7.621 1.00 20.49 C ATOM 309 CG PHE A 40 12.358 -1.272 8.483 1.00 21.00 C ATOM 310 CD1 PHE A 40 13.725 -1.329 8.688 1.00 25.85 C ATOM 311 CD2 PHE A 40 11.555 -2.197 9.094 1.00 22.21 C ATOM 312 CE1 PHE A 40 14.277 -2.303 9.476 1.00 26.03 C ATOM 313 CE2 PHE A 40 12.105 -3.165 9.899 1.00 24.36 C ATOM 314 CZ PHE A 40 13.467 -3.217 10.083 1.00 26.11 C ATOM 315 H PHE A 40 10.658 1.252 5.868 1.00 0.00 H ATOM 316 N LEU A 41 10.358 -2.075 5.596 1.00 19.99 N ATOM 317 CA LEU A 41 9.923 -3.403 5.197 1.00 19.44 C ATOM 318 C LEU A 41 10.373 -3.722 3.784 1.00 21.54 C ATOM 319 O LEU A 41 10.743 -4.872 3.495 1.00 23.44 O ATOM 320 CB LEU A 41 8.407 -3.534 5.324 1.00 21.16 C ATOM 321 CG LEU A 41 7.928 -3.484 6.782 1.00 23.22 C ATOM 322 CD1 LEU A 41 6.420 -3.415 6.834 1.00 24.92 C ATOM 323 CD2 LEU A 41 8.421 -4.670 7.593 1.00 24.01 C ATOM 324 H LEU A 41 9.654 -1.344 5.822 1.00 0.00 H ATOM 325 N GLN A 42 10.314 -2.737 2.883 1.00 22.85 N ATOM 326 CA GLN A 42 10.797 -2.952 1.519 1.00 21.73 C ATOM 327 C GLN A 42 12.280 -3.293 1.510 1.00 23.08 C ATOM 328 O GLN A 42 12.707 -4.232 0.831 1.00 24.79 O ATOM 329 CB GLN A 42 10.528 -1.730 0.642 1.00 22.86 C ATOM 330 CG GLN A 42 9.097 -1.615 0.175 1.00 26.19 C ATOM 331 CD GLN A 42 8.836 -0.325 -0.579 1.00 30.42 C ATOM 332 OE1 GLN A 42 9.265 0.748 -0.160 1.00 32.53 O ATOM 333 NE2 GLN A 42 8.133 -0.428 -1.697 1.00 38.16 N ATOM 334 HE22 GLN A 42 7.791 -1.358 -2.012 1.00 0.00 H ATOM 335 HE21 GLN A 42 7.923 0.421 -2.260 1.00 0.00 H ATOM 336 H GLN A 42 9.922 -1.812 3.153 1.00 0.00 H ATOM 337 N ARG A 43 13.084 -2.548 2.267 1.00 23.45 N ATOM 338 CA ARG A 43 14.502 -2.874 2.379 1.00 23.07 C ATOM 339 C ARG A 43 14.689 -4.320 2.823 1.00 22.60 C ATOM 340 O ARG A 43 15.525 -5.051 2.281 1.00 26.24 O ATOM 341 CB ARG A 43 15.179 -1.936 3.384 1.00 25.57 C ATOM 342 CG ARG A 43 15.447 -0.561 2.892 1.00 24.80 C ATOM 343 CD ARG A 43 16.090 0.274 3.989 1.00 25.87 C ATOM 344 NE ARG A 43 16.536 1.568 3.499 1.00 29.93 N ATOM 345 CZ ARG A 43 17.337 2.387 4.173 1.00 32.23 C ATOM 346 NH1 ARG A 43 17.778 2.045 5.384 1.00 32.77 N ATOM 347 NH2 ARG A 43 17.701 3.541 3.632 1.00 31.75 N ATOM 348 HE ARG A 43 16.207 1.873 2.561 1.00 0.00 H ATOM 349 HH12 ARG A 43 18.405 2.687 5.910 1.00 0.00 H ATOM 350 HH11 ARG A 43 17.495 1.136 5.803 1.00 0.00 H ATOM 351 HH22 ARG A 43 18.328 4.186 4.155 1.00 0.00 H ATOM 352 HH21 ARG A 43 17.360 3.802 2.685 1.00 0.00 H ATOM 353 H ARG A 43 12.699 -1.730 2.781 1.00 0.00 H ATOM 354 N GLN A 44 13.948 -4.733 3.852 1.00 24.37 N ATOM 355 CA GLN A 44 14.109 -6.081 4.391 1.00 24.18 C ATOM 356 C GLN A 44 13.697 -7.135 3.378 1.00 25.30 C ATOM 357 O GLN A 44 14.345 -8.186 3.259 1.00 28.00 O ATOM 358 CB GLN A 44 13.277 -6.238 5.664 1.00 22.74 C ATOM 359 CG GLN A 44 13.697 -5.360 6.829 1.00 25.10 C ATOM 360 CD GLN A 44 14.972 -5.827 7.495 1.00 29.03 C ATOM 361 OE1 GLN A 44 15.112 -7.001 7.881 1.00 31.11 O ATOM 362 NE2 GLN A 44 15.921 -4.916 7.625 1.00 29.73 N ATOM 363 HE22 GLN A 44 15.760 -3.946 7.288 1.00 0.00 H ATOM 364 HE21 GLN A 44 16.829 -5.170 8.065 1.00 0.00 H ATOM 365 H GLN A 44 13.249 -4.089 4.275 1.00 0.00 H ATOM 366 N VAL A 45 12.613 -6.885 2.648 1.00 22.16 N ATOM 367 CA VAL A 45 12.149 -7.852 1.657 1.00 24.30 C ATOM 368 C VAL A 45 13.157 -7.961 0.521 1.00 26.28 C ATOM 369 O VAL A 45 13.617 -9.059 0.171 1.00 28.47 O ATOM 370 CB VAL A 45 10.748 -7.452 1.155 1.00 25.34 C ATOM 371 CG1 VAL A 45 10.338 -8.244 -0.056 1.00 25.83 C ATOM 372 CG2 VAL A 45 9.705 -7.666 2.258 1.00 26.85 C ATOM 373 H VAL A 45 12.093 -5.995 2.784 1.00 0.00 H ATOM 374 N PHE A 46 13.528 -6.822 -0.068 1.00 24.80 N ATOM 375 CA PHE A 46 14.435 -6.840 -1.211 1.00 25.93 C ATOM 376 C PHE A 46 15.790 -7.421 -0.850 1.00 25.74 C ATOM 377 O PHE A 46 16.445 -8.029 -1.704 1.00 31.98 O ATOM 378 CB PHE A 46 14.631 -5.420 -1.767 1.00 26.93 C ATOM 379 CG PHE A 46 13.380 -4.789 -2.294 1.00 27.82 C ATOM 380 CD1 PHE A 46 12.398 -5.546 -2.901 1.00 34.82 C ATOM 381 CD2 PHE A 46 13.184 -3.423 -2.177 1.00 26.97 C ATOM 382 CE1 PHE A 46 11.247 -4.954 -3.380 1.00 35.44 C ATOM 383 CE2 PHE A 46 12.031 -2.825 -2.662 1.00 26.47 C ATOM 384 CZ PHE A 46 11.064 -3.586 -3.255 1.00 34.13 C ATOM 385 H PHE A 46 13.168 -5.915 0.291 1.00 0.00 H ATOM 386 N ALA A 47 16.239 -7.222 0.385 1.00 34.24 N ATOM 387 CA ALA A 47 17.512 -7.771 0.827 1.00 36.59 C ATOM 388 C ALA A 47 17.425 -9.242 1.202 1.00 38.61 C ATOM 389 O ALA A 47 18.462 -9.852 1.480 1.00 40.36 O ATOM 390 CB ALA A 47 18.039 -7.005 2.032 1.00 38.61 C ATOM 391 H ALA A 47 15.668 -6.662 1.050 1.00 0.00 H ATOM 392 N GLU A 48 16.228 -9.823 1.212 1.00 35.10 N ATOM 393 CA GLU A 48 16.049 -11.206 1.661 1.00 35.70 C ATOM 394 C GLU A 48 16.603 -11.413 3.073 1.00 35.63 C ATOM 395 O GLU A 48 17.151 -12.473 3.403 1.00 38.26 O ATOM 396 CB GLU A 48 16.692 -12.169 0.665 1.00 39.60 C ATOM 397 CG GLU A 48 16.180 -11.953 -0.741 1.00 40.51 C ATOM 398 CD GLU A 48 16.723 -12.962 -1.727 1.00 51.81 C ATOM 399 OE1 GLU A 48 17.192 -14.034 -1.292 1.00 53.32 O ATOM 400 OE2 GLU A 48 16.678 -12.672 -2.938 1.00 65.77 O ATOM 401 H GLU A 48 15.399 -9.282 0.893 1.00 0.00 H ATOM 402 N SER A 49 16.461 -10.392 3.916 1.00 34.43 N ATOM 403 CA SER A 49 16.851 -10.512 5.310 1.00 33.63 C ATOM 404 C SER A 49 16.077 -11.642 5.975 1.00 32.91 C ATOM 405 O SER A 49 14.922 -11.922 5.641 1.00 36.27 O ATOM 406 CB SER A 49 16.590 -9.201 6.054 1.00 33.98 C ATOM 407 OG SER A 49 16.671 -9.383 7.461 1.00 39.43 O ATOM 408 HG SER A 49 16.498 -8.520 7.915 1.00 0.00 H ATOM 409 H SER A 49 16.065 -9.495 3.571 1.00 0.00 H ATOM 410 N LYS A 50 16.722 -12.304 6.924 1.00 34.49 N ATOM 411 CA LYS A 50 16.034 -13.329 7.687 1.00 32.94 C ATOM 412 C LYS A 50 15.432 -12.800 8.985 1.00 31.10 C ATOM 413 O LYS A 50 14.842 -13.582 9.741 1.00 34.05 O ATOM 414 CB LYS A 50 16.988 -14.500 7.974 1.00 36.26 C ATOM 415 CG LYS A 50 17.547 -15.188 6.708 1.00 43.60 C ATOM 416 CD LYS A 50 16.437 -15.768 5.846 1.00 56.71 C ATOM 417 H LYS A 50 17.720 -12.089 7.122 1.00 0.00 H ATOM 418 N ASP A 51 15.539 -11.503 9.258 1.00 30.52 N ATOM 419 CA ASP A 51 14.910 -10.952 10.447 1.00 28.19 C ATOM 420 C ASP A 51 13.402 -11.128 10.375 1.00 30.58 C ATOM 421 O ASP A 51 12.796 -11.019 9.304 1.00 28.74 O ATOM 422 CB ASP A 51 15.228 -9.471 10.591 1.00 31.45 C ATOM 423 CG ASP A 51 16.708 -9.182 10.675 1.00 32.36 C ATOM 424 OD1 ASP A 51 17.466 -9.995 11.228 1.00 39.55 O ATOM 425 OD2 ASP A 51 17.105 -8.103 10.188 1.00 42.04 O ATOM 426 H ASP A 51 16.074 -10.881 8.619 1.00 0.00 H ATOM 427 N GLU A 52 12.794 -11.369 11.528 1.00 25.18 N ATOM 428 CA GLU A 52 11.349 -11.488 11.641 1.00 25.65 C ATOM 429 C GLU A 52 10.807 -10.189 12.210 1.00 24.31 C ATOM 430 O GLU A 52 11.388 -9.626 13.137 1.00 25.26 O ATOM 431 CB GLU A 52 10.972 -12.681 12.526 1.00 27.93 C ATOM 432 CG GLU A 52 11.478 -14.012 11.967 1.00 30.44 C ATOM 433 CD GLU A 52 11.391 -15.167 12.954 1.00 30.65 C ATOM 434 OE1 GLU A 52 11.019 -14.952 14.124 1.00 31.98 O ATOM 435 OE2 GLU A 52 11.718 -16.300 12.548 1.00 37.82 O ATOM 436 H GLU A 52 13.373 -11.477 12.385 1.00 0.00 H ATOM 437 N ILE A 53 9.706 -9.707 11.641 1.00 23.97 N ATOM 438 CA ILE A 53 9.202 -8.364 11.910 1.00 25.02 C ATOM 439 C ILE A 53 7.710 -8.452 12.196 1.00 25.62 C ATOM 440 O ILE A 53 6.930 -8.841 11.323 1.00 29.95 O ATOM 441 CB ILE A 53 9.446 -7.406 10.731 1.00 23.19 C ATOM 442 CG1 ILE A 53 10.895 -7.452 10.223 1.00 24.04 C ATOM 443 CG2 ILE A 53 9.069 -5.982 11.133 1.00 23.32 C ATOM 444 CD1 ILE A 53 11.932 -6.945 11.184 1.00 30.99 C ATOM 445 H ILE A 53 9.182 -10.312 10.977 1.00 0.00 H ATOM 446 N ALA A 54 7.316 -8.071 13.399 1.00 20.67 N ATOM 447 CA ALA A 54 5.920 -7.941 13.785 1.00 19.39 C ATOM 448 C ALA A 54 5.510 -6.473 13.751 1.00 18.99 C ATOM 449 O ALA A 54 6.349 -5.572 13.808 1.00 19.39 O ATOM 450 CB ALA A 54 5.699 -8.472 15.199 1.00 20.28 C ATOM 451 H ALA A 54 8.044 -7.852 14.108 1.00 0.00 H ATOM 452 N VAL A 55 4.202 -6.242 13.661 1.00 19.24 N ATOM 453 CA VAL A 55 3.640 -4.888 13.663 1.00 18.21 C ATOM 454 C VAL A 55 2.494 -4.849 14.661 1.00 18.01 C ATOM 455 O VAL A 55 1.525 -5.613 14.531 1.00 17.47 O ATOM 456 CB VAL A 55 3.145 -4.458 12.279 1.00 17.06 C ATOM 457 CG1 VAL A 55 2.568 -3.043 12.368 1.00 19.93 C ATOM 458 CG2 VAL A 55 4.285 -4.530 11.268 1.00 20.87 C ATOM 459 H VAL A 55 3.555 -7.052 13.586 1.00 0.00 H ATOM 460 N VAL A 56 2.610 -3.969 15.651 1.00 16.82 N ATOM 461 CA VAL A 56 1.581 -3.730 16.645 1.00 16.36 C ATOM 462 C VAL A 56 1.149 -2.286 16.472 1.00 16.86 C ATOM 463 O VAL A 56 1.998 -1.387 16.415 1.00 18.21 O ATOM 464 CB VAL A 56 2.099 -3.984 18.071 1.00 16.06 C ATOM 465 CG1 VAL A 56 1.068 -3.530 19.130 1.00 18.98 C ATOM 466 CG2 VAL A 56 2.421 -5.456 18.258 1.00 17.65 C ATOM 467 H VAL A 56 3.491 -3.420 15.717 1.00 0.00 H ATOM 468 N LEU A 57 -0.151 -2.065 16.355 1.00 15.93 N ATOM 469 CA LEU A 57 -0.717 -0.727 16.202 1.00 16.25 C ATOM 470 C LEU A 57 -1.469 -0.361 17.470 1.00 15.69 C ATOM 471 O LEU A 57 -2.197 -1.188 18.028 1.00 16.72 O ATOM 472 CB LEU A 57 -1.679 -0.657 15.029 1.00 16.33 C ATOM 473 CG LEU A 57 -1.196 -1.152 13.666 1.00 20.12 C ATOM 474 CD1 LEU A 57 -2.297 -1.031 12.611 1.00 26.03 C ATOM 475 CD2 LEU A 57 0.065 -0.432 13.232 1.00 21.17 C ATOM 476 H LEU A 57 -0.798 -2.879 16.373 1.00 0.00 H ATOM 477 N TYR A 58 -1.307 0.882 17.942 1.00 15.68 N ATOM 478 CA TYR A 58 -2.085 1.300 19.097 1.00 17.66 C ATOM 479 C TYR A 58 -2.748 2.627 18.808 1.00 18.70 C ATOM 480 O TYR A 58 -2.189 3.473 18.104 1.00 20.39 O ATOM 481 CB TYR A 58 -1.235 1.331 20.370 1.00 15.82 C ATOM 482 CG TYR A 58 -0.153 2.382 20.506 1.00 17.69 C ATOM 483 CD1 TYR A 58 1.114 2.176 19.965 1.00 18.13 C ATOM 484 CD2 TYR A 58 -0.372 3.522 21.270 1.00 18.09 C ATOM 485 CE1 TYR A 58 2.123 3.106 20.149 1.00 17.52 C ATOM 486 CE2 TYR A 58 0.636 4.469 21.449 1.00 17.98 C ATOM 487 CZ TYR A 58 1.871 4.243 20.897 1.00 17.82 C ATOM 488 OH TYR A 58 2.869 5.162 21.103 1.00 25.50 O ATOM 489 HH TYR A 58 2.589 6.039 20.738 1.00 0.00 H ATOM 490 H TYR A 58 -0.637 1.536 17.490 1.00 0.00 H ATOM 491 N GLY A 59 -3.973 2.757 19.290 1.00 15.73 N ATOM 492 CA GLY A 59 -4.866 3.819 18.868 1.00 16.61 C ATOM 493 C GLY A 59 -5.842 3.355 17.810 1.00 19.02 C ATOM 494 O GLY A 59 -6.500 4.186 17.185 1.00 21.29 O ATOM 495 H GLY A 59 -4.308 2.072 19.998 1.00 0.00 H ATOM 496 N THR A 60 -5.951 2.050 17.591 1.00 17.62 N ATOM 497 CA THR A 60 -6.885 1.530 16.609 1.00 20.77 C ATOM 498 C THR A 60 -8.295 1.480 17.180 1.00 20.65 C ATOM 499 O THR A 60 -8.499 1.323 18.387 1.00 22.51 O ATOM 500 CB THR A 60 -6.485 0.127 16.155 1.00 18.66 C ATOM 501 OG1 THR A 60 -6.447 -0.756 17.284 1.00 20.48 O ATOM 502 CG2 THR A 60 -5.125 0.112 15.471 1.00 22.98 C ATOM 503 HG1 THR A 60 -7.342 -0.790 17.705 1.00 0.00 H ATOM 504 H THR A 60 -5.357 1.389 18.132 1.00 0.00 H ATOM 505 N ASP A 61 -9.277 1.605 16.287 1.00 20.97 N ATOM 506 CA ASP A 61 -10.665 1.659 16.721 1.00 21.83 C ATOM 507 C ASP A 61 -11.105 0.316 17.279 1.00 24.68 C ATOM 508 O ASP A 61 -11.862 0.259 18.252 1.00 28.41 O ATOM 509 CB ASP A 61 -11.560 2.082 15.557 1.00 27.02 C ATOM 510 CG ASP A 61 -11.254 3.501 15.073 1.00 36.73 C ATOM 511 OD1 ASP A 61 -10.662 4.283 15.850 1.00 38.65 O ATOM 512 OD2 ASP A 61 -11.600 3.815 13.916 1.00 43.54 O ATOM 513 H ASP A 61 -9.050 1.664 15.274 1.00 0.00 H ATOM 514 N THR A 62 -10.629 -0.765 16.686 1.00 24.91 N ATOM 515 CA THR A 62 -10.909 -2.099 17.189 1.00 25.41 C ATOM 516 C THR A 62 -9.732 -2.574 18.022 1.00 24.29 C ATOM 517 O THR A 62 -8.663 -1.963 18.050 1.00 22.34 O ATOM 518 CB THR A 62 -11.206 -3.069 16.037 1.00 24.40 C ATOM 519 OG1 THR A 62 -10.160 -3.008 15.061 1.00 33.11 O ATOM 520 CG2 THR A 62 -12.532 -2.704 15.378 1.00 33.12 C ATOM 521 HG1 THR A 62 -9.301 -3.258 15.484 1.00 0.00 H ATOM 522 H THR A 62 -10.038 -0.658 15.837 1.00 0.00 H ATOM 523 N THR A 63 -9.944 -3.682 18.723 1.00 21.20 N ATOM 524 CA THR A 63 -8.949 -4.232 19.627 1.00 18.94 C ATOM 525 C THR A 63 -8.699 -5.660 19.197 1.00 20.27 C ATOM 526 O THR A 63 -9.659 -6.388 18.942 1.00 23.57 O ATOM 527 CB THR A 63 -9.447 -4.199 21.065 1.00 21.52 C ATOM 528 OG1 THR A 63 -9.730 -2.844 21.429 1.00 22.24 O ATOM 529 CG2 THR A 63 -8.419 -4.789 22.024 1.00 22.71 C ATOM 530 HG1 THR A 63 -10.425 -2.480 20.826 1.00 0.00 H ATOM 531 H THR A 63 -10.855 -4.173 18.621 1.00 0.00 H ATOM 532 N ASP A 64 -7.426 -6.061 19.121 1.00 18.70 N ATOM 533 CA ASP A 64 -7.109 -7.436 18.691 1.00 19.97 C ATOM 534 C ASP A 64 -5.730 -7.791 19.255 1.00 18.60 C ATOM 535 O ASP A 64 -4.714 -7.600 18.591 1.00 18.26 O ATOM 536 CB ASP A 64 -7.145 -7.548 17.181 1.00 20.06 C ATOM 537 CG ASP A 64 -6.957 -8.959 16.679 1.00 23.62 C ATOM 538 OD1 ASP A 64 -6.915 -9.874 17.504 1.00 22.56 O ATOM 539 OD2 ASP A 64 -6.875 -9.126 15.439 1.00 25.46 O ATOM 540 H ASP A 64 -6.659 -5.403 19.365 1.00 0.00 H ATOM 541 N ASN A 65 -5.715 -8.307 20.482 1.00 18.64 N ATOM 542 CA ASN A 65 -4.456 -8.742 21.068 1.00 17.85 C ATOM 543 C ASN A 65 -4.771 -9.742 22.177 1.00 15.95 C ATOM 544 O ASN A 65 -5.893 -9.809 22.684 1.00 18.99 O ATOM 545 CB ASN A 65 -3.605 -7.550 21.563 1.00 16.37 C ATOM 546 CG ASN A 65 -4.151 -6.904 22.802 1.00 15.83 C ATOM 547 OD1 ASN A 65 -4.004 -7.425 23.912 1.00 16.44 O ATOM 548 ND2 ASN A 65 -4.772 -5.739 22.637 1.00 17.08 N ATOM 549 HD22 ASN A 65 -4.875 -5.335 21.684 1.00 0.00 H ATOM 550 HD21 ASN A 65 -5.155 -5.233 23.461 1.00 0.00 H ATOM 551 H ASN A 65 -6.600 -8.399 21.020 1.00 0.00 H ATOM 552 N ALA A 66 -3.755 -10.515 22.546 1.00 17.36 N ATOM 553 CA ALA A 66 -3.969 -11.642 23.447 1.00 16.52 C ATOM 554 C ALA A 66 -4.303 -11.216 24.874 1.00 19.29 C ATOM 555 O ALA A 66 -4.848 -12.029 25.642 1.00 20.07 O ATOM 556 CB ALA A 66 -2.723 -12.524 23.454 1.00 19.40 C ATOM 557 H ALA A 66 -2.799 -10.315 22.189 1.00 0.00 H ATOM 558 N LEU A 67 -3.965 -9.990 25.254 1.00 17.56 N ATOM 559 CA LEU A 67 -4.146 -9.513 26.616 1.00 17.13 C ATOM 560 C LEU A 67 -5.454 -8.756 26.797 1.00 20.02 C ATOM 561 O LEU A 67 -5.813 -8.439 27.929 1.00 22.32 O ATOM 562 CB LEU A 67 -2.960 -8.622 27.012 1.00 18.13 C ATOM 563 CG LEU A 67 -1.587 -9.243 26.735 1.00 15.84 C ATOM 564 CD1 LEU A 67 -0.490 -8.296 27.189 1.00 18.75 C ATOM 565 CD2 LEU A 67 -1.419 -10.624 27.399 1.00 19.40 C ATOM 566 H LEU A 67 -3.554 -9.345 24.550 1.00 0.00 H ATOM 567 N ALA A 68 -6.201 -8.514 25.721 1.00 18.01 N ATOM 568 CA ALA A 68 -7.378 -7.659 25.793 1.00 20.26 C ATOM 569 C ALA A 68 -8.472 -8.307 26.621 1.00 24.38 C ATOM 570 O ALA A 68 -8.835 -9.465 26.399 1.00 27.44 O ATOM 571 CB ALA A 68 -7.898 -7.354 24.387 1.00 24.22 C ATOM 572 H ALA A 68 -5.939 -8.944 24.811 1.00 0.00 H ATOM 573 N ARG A 69 -8.999 -7.552 27.571 1.00 25.20 N ATOM 574 CA ARG A 69 -10.185 -7.941 28.316 1.00 26.40 C ATOM 575 C ARG A 69 -10.794 -6.650 28.842 1.00 40.73 C ATOM 576 O ARG A 69 -10.261 -5.561 28.614 1.00 54.40 O ATOM 577 CB ARG A 69 -9.845 -8.946 29.426 1.00 33.81 C ATOM 578 CG ARG A 69 -8.735 -8.515 30.373 1.00 40.38 C ATOM 579 H ARG A 69 -8.546 -6.643 27.794 1.00 0.00 H ATOM 580 N GLU A 70 -11.934 -6.770 29.518 1.00 43.29 N ATOM 581 CA GLU A 70 -12.637 -5.605 30.043 1.00 37.41 C ATOM 582 C GLU A 70 -11.672 -4.571 30.615 1.00 37.94 C ATOM 583 O GLU A 70 -11.036 -4.809 31.648 1.00 46.72 O ATOM 584 CB GLU A 70 -13.639 -6.035 31.121 1.00 35.57 C ATOM 585 H GLU A 70 -12.333 -7.717 29.676 1.00 0.00 H ATOM 586 N ASP A 71 -11.556 -3.422 29.945 1.00 33.34 N ATOM 587 CA ASP A 71 -10.772 -2.278 30.405 1.00 33.53 C ATOM 588 C ASP A 71 -9.268 -2.527 30.379 1.00 30.97 C ATOM 589 O ASP A 71 -8.512 -1.777 30.998 1.00 34.43 O ATOM 590 CB ASP A 71 -11.199 -1.848 31.817 1.00 41.38 C ATOM 591 H ASP A 71 -12.056 -3.336 29.037 1.00 0.00 H ATOM 592 N GLN A 72 -8.793 -3.551 29.669 1.00 23.91 N ATOM 593 CA GLN A 72 -7.365 -3.841 29.623 1.00 20.68 C ATOM 594 C GLN A 72 -6.883 -3.952 28.183 1.00 19.57 C ATOM 595 O GLN A 72 -7.494 -4.652 27.366 1.00 20.65 O ATOM 596 CB GLN A 72 -7.022 -5.128 30.371 1.00 21.18 C ATOM 597 CG GLN A 72 -7.305 -5.091 31.879 1.00 23.17 C ATOM 598 CD GLN A 72 -6.299 -4.238 32.668 1.00 26.00 C ATOM 599 OE1 GLN A 72 -5.090 -4.315 32.451 1.00 22.28 O ATOM 600 NE2 GLN A 72 -6.813 -3.402 33.583 1.00 28.42 N ATOM 601 HE22 GLN A 72 -7.841 -3.367 33.736 1.00 0.00 H ATOM 602 HE21 GLN A 72 -6.183 -2.789 34.139 1.00 0.00 H ATOM 603 H GLN A 72 -9.454 -4.154 29.138 1.00 0.00 H ATOM 604 N TYR A 73 -5.753 -3.309 27.907 1.00 18.10 N ATOM 605 CA TYR A 73 -5.058 -3.372 26.615 1.00 18.57 C ATOM 606 C TYR A 73 -6.006 -3.056 25.466 1.00 18.99 C ATOM 607 O TYR A 73 -5.974 -3.676 24.400 1.00 17.87 O ATOM 608 CB TYR A 73 -4.350 -4.721 26.442 1.00 17.19 C ATOM 609 CG TYR A 73 -3.435 -4.970 27.626 1.00 15.13 C ATOM 610 CD1 TYR A 73 -2.156 -4.456 27.649 1.00 15.62 C ATOM 611 CD2 TYR A 73 -3.876 -5.684 28.725 1.00 18.08 C ATOM 612 CE1 TYR A 73 -1.325 -4.615 28.757 1.00 19.03 C ATOM 613 CE2 TYR A 73 -3.044 -5.872 29.848 1.00 18.28 C ATOM 614 CZ TYR A 73 -1.771 -5.340 29.838 1.00 19.83 C ATOM 615 OH TYR A 73 -0.940 -5.490 30.930 1.00 21.42 O ATOM 616 HH TYR A 73 -0.791 -6.454 31.100 1.00 0.00 H ATOM 617 H TYR A 73 -5.333 -2.722 28.656 1.00 0.00 H ATOM 618 N GLU A 74 -6.807 -2.016 25.666 1.00 20.67 N ATOM 619 CA GLU A 74 -7.796 -1.611 24.682 1.00 19.19 C ATOM 620 C GLU A 74 -7.148 -0.839 23.539 1.00 17.38 C ATOM 621 O GLU A 74 -6.174 -0.110 23.732 1.00 18.29 O ATOM 622 CB GLU A 74 -8.853 -0.720 25.332 1.00 28.44 C ATOM 623 CG GLU A 74 -9.343 -1.186 26.691 1.00 40.04 C ATOM 624 CD GLU A 74 -10.346 -0.212 27.275 1.00 52.16 C ATOM 625 OE1 GLU A 74 -11.477 -0.152 26.750 1.00 47.03 O ATOM 626 OE2 GLU A 74 -9.990 0.514 28.229 1.00 54.95 O ATOM 627 H GLU A 74 -6.724 -1.477 26.551 1.00 0.00 H ATOM 628 N ASN A 75 -7.713 -1.010 22.339 1.00 18.44 N ATOM 629 CA ASN A 75 -7.369 -0.192 21.167 1.00 17.25 C ATOM 630 C ASN A 75 -5.928 -0.432 20.735 1.00 16.49 C ATOM 631 O ASN A 75 -5.247 0.456 20.204 1.00 16.38 O ATOM 632 CB ASN A 75 -7.647 1.286 21.431 1.00 18.13 C ATOM 633 CG ASN A 75 -9.077 1.517 21.834 1.00 20.96 C ATOM 634 OD1 ASN A 75 -9.357 1.858 22.968 1.00 25.77 O ATOM 635 ND2 ASN A 75 -9.998 1.261 20.918 1.00 21.44 N ATOM 636 HD22 ASN A 75 -9.713 0.972 19.960 1.00 0.00 H ATOM 637 HD21 ASN A 75 -11.007 1.349 21.156 1.00 0.00 H ATOM 638 H ASN A 75 -8.429 -1.756 22.230 1.00 0.00 H ATOM 639 N ILE A 76 -5.512 -1.683 20.891 1.00 14.71 N ATOM 640 CA ILE A 76 -4.216 -2.176 20.471 1.00 15.04 C ATOM 641 C ILE A 76 -4.452 -3.412 19.621 1.00 16.33 C ATOM 642 O ILE A 76 -5.184 -4.321 20.032 1.00 16.22 O ATOM 643 CB ILE A 76 -3.334 -2.513 21.675 1.00 15.08 C ATOM 644 CG1 ILE A 76 -3.046 -1.247 22.472 1.00 16.40 C ATOM 645 CG2 ILE A 76 -2.051 -3.150 21.232 1.00 15.68 C ATOM 646 CD1 ILE A 76 -2.625 -1.505 23.895 1.00 19.28 C ATOM 647 H ILE A 76 -6.161 -2.356 21.346 1.00 0.00 H ATOM 648 N SER A 77 -3.845 -3.439 18.441 1.00 16.00 N ATOM 649 CA SER A 77 -4.098 -4.482 17.458 1.00 17.25 C ATOM 650 C SER A 77 -2.785 -5.046 16.948 1.00 18.12 C ATOM 651 O SER A 77 -1.906 -4.290 16.521 1.00 18.88 O ATOM 652 CB SER A 77 -4.914 -3.913 16.292 1.00 20.39 C ATOM 653 OG SER A 77 -6.193 -3.530 16.728 1.00 22.25 O ATOM 654 HG SER A 77 -6.107 -2.837 17.430 1.00 0.00 H ATOM 655 H SER A 77 -3.164 -2.688 18.210 1.00 0.00 H ATOM 656 N VAL A 78 -2.668 -6.378 16.953 1.00 17.65 N ATOM 657 CA VAL A 78 -1.517 -7.054 16.359 1.00 16.63 C ATOM 658 C VAL A 78 -1.817 -7.245 14.875 1.00 17.29 C ATOM 659 O VAL A 78 -2.560 -8.140 14.472 1.00 22.95 O ATOM 660 CB VAL A 78 -1.202 -8.370 17.064 1.00 16.81 C ATOM 661 CG1 VAL A 78 -0.004 -9.054 16.396 1.00 22.19 C ATOM 662 CG2 VAL A 78 -0.915 -8.092 18.540 1.00 21.96 C ATOM 663 H VAL A 78 -3.418 -6.949 17.392 1.00 0.00 H ATOM 664 N HIS A 79 -1.221 -6.383 14.058 1.00 18.59 N ATOM 665 CA HIS A 79 -1.445 -6.410 12.627 1.00 21.98 C ATOM 666 C HIS A 79 -0.597 -7.454 11.918 1.00 20.72 C ATOM 667 O HIS A 79 -1.014 -7.975 10.875 1.00 24.80 O ATOM 668 CB HIS A 79 -1.159 -5.015 12.086 1.00 21.35 C ATOM 669 CG HIS A 79 -1.493 -4.852 10.645 1.00 28.01 C ATOM 670 ND1 HIS A 79 -2.772 -4.580 10.211 1.00 39.11 N ATOM 671 CD2 HIS A 79 -0.725 -4.944 9.533 1.00 34.37 C ATOM 672 CE1 HIS A 79 -2.777 -4.503 8.891 1.00 43.36 C ATOM 673 NE2 HIS A 79 -1.549 -4.723 8.456 1.00 34.83 N ATOM 674 H HIS A 79 -0.577 -5.670 14.456 1.00 0.00 H ATOM 675 N ARG A 80 0.592 -7.745 12.433 1.00 20.67 N ATOM 676 CA ARG A 80 1.479 -8.737 11.847 1.00 20.54 C ATOM 677 C ARG A 80 2.235 -9.423 12.971 1.00 21.56 C ATOM 678 O ARG A 80 2.826 -8.744 13.812 1.00 19.05 O ATOM 679 CB ARG A 80 2.449 -8.079 10.851 1.00 22.63 C ATOM 680 CG ARG A 80 3.542 -9.000 10.266 1.00 21.48 C ATOM 681 CD ARG A 80 3.032 -10.131 9.377 1.00 24.04 C ATOM 682 NE ARG A 80 4.098 -10.572 8.479 1.00 27.22 N ATOM 683 CZ ARG A 80 3.900 -11.205 7.328 1.00 39.96 C ATOM 684 NH1 ARG A 80 2.667 -11.478 6.920 1.00 37.53 N ATOM 685 NH2 ARG A 80 4.940 -11.582 6.588 1.00 39.00 N ATOM 686 HE ARG A 80 5.080 -10.377 8.761 1.00 0.00 H ATOM 687 HH12 ARG A 80 2.515 -11.974 6.018 1.00 0.00 H ATOM 688 HH11 ARG A 80 1.852 -11.196 7.502 1.00 0.00 H ATOM 689 HH22 ARG A 80 4.785 -12.078 5.687 1.00 0.00 H ATOM 690 HH21 ARG A 80 5.908 -11.381 6.911 1.00 0.00 H ATOM 691 H ARG A 80 0.901 -7.243 13.290 1.00 0.00 H ATOM 692 N HIS A 81 2.208 -10.755 12.972 1.00 21.56 N ATOM 693 CA HIS A 81 2.951 -11.509 13.959 1.00 20.49 C ATOM 694 C HIS A 81 4.416 -11.636 13.548 1.00 21.97 C ATOM 695 O HIS A 81 4.862 -11.112 12.518 1.00 23.56 O ATOM 696 CB HIS A 81 2.282 -12.862 14.191 1.00 22.64 C ATOM 697 CG HIS A 81 0.985 -12.761 14.923 1.00 22.41 C ATOM 698 ND1 HIS A 81 0.832 -13.199 16.219 1.00 21.70 N ATOM 699 CD2 HIS A 81 -0.210 -12.238 14.563 1.00 23.72 C ATOM 700 CE1 HIS A 81 -0.408 -12.971 16.618 1.00 24.16 C ATOM 701 NE2 HIS A 81 -1.060 -12.378 15.635 1.00 23.83 N ATOM 702 H HIS A 81 1.647 -11.259 12.256 1.00 0.00 H ATOM 703 N LEU A 82 5.198 -12.289 14.396 1.00 21.95 N ATOM 704 CA LEU A 82 6.649 -12.327 14.226 1.00 24.43 C ATOM 705 C LEU A 82 6.985 -13.329 13.127 1.00 24.22 C ATOM 706 O LEU A 82 7.045 -14.540 13.361 1.00 26.94 O ATOM 707 CB LEU A 82 7.329 -12.687 15.539 1.00 25.19 C ATOM 708 CG LEU A 82 8.848 -12.598 15.585 1.00 28.43 C ATOM 709 CD1 LEU A 82 9.317 -11.130 15.424 1.00 35.33 C ATOM 710 CD2 LEU A 82 9.368 -13.212 16.866 1.00 33.59 C ATOM 711 H LEU A 82 4.768 -12.786 15.202 1.00 0.00 H ATOM 712 N MET A 83 7.218 -12.813 11.924 1.00 23.96 N ATOM 713 CA MET A 83 7.376 -13.614 10.724 1.00 26.96 C ATOM 714 C MET A 83 8.306 -12.877 9.776 1.00 25.60 C ATOM 715 O MET A 83 8.510 -11.668 9.902 1.00 24.91 O ATOM 716 CB MET A 83 6.037 -13.839 10.013 1.00 31.98 C ATOM 717 CG MET A 83 4.906 -14.351 10.865 1.00 43.15 C ATOM 718 SD MET A 83 3.305 -13.935 10.141 1.00 40.53 S ATOM 719 CE MET A 83 3.567 -14.316 8.440 1.00 39.32 C ATOM 720 H MET A 83 7.291 -11.779 11.838 1.00 0.00 H ATOM 721 N LEU A 84 8.844 -13.587 8.795 1.00 28.97 N ATOM 722 CA LEU A 84 9.520 -12.880 7.715 1.00 29.27 C ATOM 723 C LEU A 84 8.537 -11.934 7.031 1.00 27.74 C ATOM 724 O LEU A 84 7.370 -12.288 6.849 1.00 32.97 O ATOM 725 CB LEU A 84 10.082 -13.864 6.688 1.00 35.35 C ATOM 726 CG LEU A 84 11.262 -14.694 7.181 1.00 34.16 C ATOM 727 CD1 LEU A 84 11.456 -15.899 6.280 1.00 44.84 C ATOM 728 CD2 LEU A 84 12.514 -13.827 7.176 1.00 39.84 C ATOM 729 H LEU A 84 8.785 -14.625 8.796 1.00 0.00 H ATOM 730 N PRO A 85 8.964 -10.733 6.634 1.00 30.07 N ATOM 731 CA PRO A 85 8.075 -9.845 5.878 1.00 28.99 C ATOM 732 C PRO A 85 7.914 -10.316 4.442 1.00 33.11 C ATOM 733 O PRO A 85 8.735 -11.065 3.927 1.00 34.44 O ATOM 734 CB PRO A 85 8.801 -8.498 5.928 1.00 30.33 C ATOM 735 CG PRO A 85 10.247 -8.885 6.001 1.00 27.49 C ATOM 736 CD PRO A 85 10.278 -10.116 6.877 1.00 28.18 C ATOM 737 N ASP A 86 6.856 -9.835 3.786 1.00 34.41 N ATOM 738 CA ASP A 86 6.556 -10.250 2.418 1.00 38.45 C ATOM 739 C ASP A 86 5.815 -9.128 1.693 1.00 35.43 C ATOM 740 O ASP A 86 5.490 -8.089 2.271 1.00 36.75 O ATOM 741 CB ASP A 86 5.751 -11.566 2.417 1.00 40.05 C ATOM 742 CG ASP A 86 4.426 -11.452 3.141 1.00 43.21 C ATOM 743 OD1 ASP A 86 3.772 -10.394 3.043 1.00 60.20 O ATOM 744 OD2 ASP A 86 4.029 -12.429 3.817 1.00 53.63 O ATOM 745 H ASP A 86 6.232 -9.150 4.259 1.00 0.00 H ATOM 746 N PHE A 87 5.539 -9.346 0.399 1.00 43.54 N ATOM 747 CA PHE A 87 4.823 -8.329 -0.367 1.00 39.85 C ATOM 748 C PHE A 87 3.361 -8.249 0.021 1.00 51.77 C ATOM 749 O PHE A 87 2.756 -7.177 -0.080 1.00 51.75 O ATOM 750 CB PHE A 87 4.941 -8.609 -1.860 1.00 54.05 C ATOM 751 CG PHE A 87 6.253 -8.234 -2.396 1.00 66.26 C ATOM 752 CD1 PHE A 87 6.447 -6.996 -2.975 1.00 70.12 C ATOM 753 CD2 PHE A 87 7.322 -9.086 -2.245 1.00 79.60 C ATOM 754 CE1 PHE A 87 7.677 -6.634 -3.436 1.00 81.84 C ATOM 755 CE2 PHE A 87 8.549 -8.734 -2.698 1.00 92.11 C ATOM 756 CZ PHE A 87 8.735 -7.498 -3.289 1.00 93.46 C ATOM 757 H PHE A 87 5.833 -10.234 -0.056 1.00 0.00 H ATOM 758 N ASP A 88 2.768 -9.364 0.442 1.00 53.00 N ATOM 759 CA ASP A 88 1.426 -9.292 1.000 1.00 58.27 C ATOM 760 C ASP A 88 1.386 -8.320 2.169 1.00 59.08 C ATOM 761 O ASP A 88 0.447 -7.526 2.297 1.00 68.37 O ATOM 762 CB ASP A 88 0.961 -10.685 1.431 1.00 64.59 C ATOM 763 H ASP A 88 3.259 -10.278 0.373 1.00 0.00 H ATOM 764 N LEU A 89 2.407 -8.356 3.031 1.00 51.35 N ATOM 765 CA LEU A 89 2.472 -7.418 4.143 1.00 49.01 C ATOM 766 C LEU A 89 2.604 -5.992 3.637 1.00 38.62 C ATOM 767 O LEU A 89 1.955 -5.073 4.157 1.00 37.99 O ATOM 768 CB LEU A 89 3.647 -7.766 5.057 1.00 45.52 C ATOM 769 CG LEU A 89 3.964 -6.797 6.197 1.00 45.43 C ATOM 770 CD1 LEU A 89 2.838 -6.749 7.222 1.00 46.15 C ATOM 771 CD2 LEU A 89 5.266 -7.188 6.847 1.00 33.93 C ATOM 772 H LEU A 89 3.162 -9.060 2.906 1.00 0.00 H ATOM 773 N LEU A 90 3.477 -5.778 2.654 1.00 37.36 N ATOM 774 CA LEU A 90 3.603 -4.446 2.082 1.00 34.04 C ATOM 775 C LEU A 90 2.263 -3.987 1.534 1.00 36.97 C ATOM 776 O LEU A 90 1.793 -2.891 1.852 1.00 33.97 O ATOM 777 CB LEU A 90 4.675 -4.430 0.992 1.00 33.38 C ATOM 778 CG LEU A 90 6.080 -4.849 1.422 1.00 40.46 C ATOM 779 CD1 LEU A 90 7.020 -4.957 0.240 1.00 43.77 C ATOM 780 CD2 LEU A 90 6.627 -3.880 2.443 1.00 37.60 C ATOM 781 H LEU A 90 4.065 -6.558 2.297 1.00 0.00 H ATOM 782 N GLU A 91 1.622 -4.824 0.712 1.00 36.49 N ATOM 783 CA GLU A 91 0.305 -4.464 0.203 1.00 39.68 C ATOM 784 C GLU A 91 -0.672 -4.276 1.351 1.00 42.08 C ATOM 785 O GLU A 91 -1.453 -3.319 1.365 1.00 48.23 O ATOM 786 CB GLU A 91 -0.202 -5.531 -0.770 1.00 47.95 C ATOM 787 H GLU A 91 2.060 -5.726 0.438 1.00 0.00 H ATOM 788 N GLN A 92 -0.618 -5.162 2.345 1.00 51.56 N ATOM 789 CA GLN A 92 -1.558 -5.075 3.454 1.00 64.57 C ATOM 790 C GLN A 92 -1.377 -3.776 4.230 1.00 58.08 C ATOM 791 O GLN A 92 -2.358 -3.120 4.592 1.00 64.27 O ATOM 792 CB GLN A 92 -1.393 -6.278 4.378 1.00 60.67 C ATOM 793 CG GLN A 92 -2.627 -6.574 5.195 1.00 69.24 C ATOM 794 CD GLN A 92 -2.318 -7.334 6.466 1.00 80.91 C ATOM 795 OE1 GLN A 92 -1.156 -7.511 6.832 1.00 74.53 O ATOM 796 NE2 GLN A 92 -3.364 -7.785 7.153 1.00 90.67 N ATOM 797 HE22 GLN A 92 -4.329 -7.612 6.805 1.00 0.00 H ATOM 798 HE21 GLN A 92 -3.217 -8.311 8.038 1.00 0.00 H ATOM 799 H GLN A 92 0.097 -5.917 2.329 1.00 0.00 H ATOM 800 N ILE A 93 -0.131 -3.378 4.484 1.00 49.50 N ATOM 801 CA ILE A 93 0.115 -2.151 5.234 1.00 39.37 C ATOM 802 C ILE A 93 -0.311 -0.935 4.424 1.00 55.21 C ATOM 803 O ILE A 93 -0.973 -0.027 4.938 1.00 67.03 O ATOM 804 CB ILE A 93 1.596 -2.065 5.643 1.00 52.22 C ATOM 805 CG1 ILE A 93 1.925 -3.166 6.646 1.00 51.26 C ATOM 806 CG2 ILE A 93 1.919 -0.707 6.258 1.00 51.21 C ATOM 807 CD1 ILE A 93 3.388 -3.345 6.877 1.00 51.78 C ATOM 808 H ILE A 93 0.672 -3.946 4.145 1.00 0.00 H ATOM 809 N GLU A 94 0.064 -0.897 3.145 1.00 41.47 N ATOM 810 CA GLU A 94 -0.177 0.292 2.336 1.00 45.80 C ATOM 811 C GLU A 94 -1.664 0.609 2.236 1.00 51.05 C ATOM 812 O GLU A 94 -2.058 1.781 2.269 1.00 56.11 O ATOM 813 CB GLU A 94 0.421 0.098 0.943 1.00 53.10 C ATOM 814 CG GLU A 94 0.272 1.304 0.031 1.00 81.22 C ATOM 815 CD GLU A 94 1.001 2.522 0.566 1.00103.00 C ATOM 816 OE1 GLU A 94 2.221 2.641 0.321 1.00112.31 O ATOM 817 OE2 GLU A 94 0.356 3.353 1.242 1.00108.54 O ATOM 818 H GLU A 94 0.533 -1.723 2.721 1.00 0.00 H ATOM 819 N ASN A 95 -2.507 -0.416 2.114 1.00 56.67 N ATOM 820 CA ASN A 95 -3.916 -0.204 1.814 1.00 67.14 C ATOM 821 C ASN A 95 -4.832 -0.346 3.023 1.00 65.04 C ATOM 822 O ASN A 95 -5.936 0.210 3.007 1.00 74.91 O ATOM 823 CB ASN A 95 -4.377 -1.184 0.726 1.00 68.98 C ATOM 824 H ASN A 95 -2.152 -1.386 2.235 1.00 0.00 H ATOM 825 N VAL A 96 -4.416 -1.057 4.064 1.00 46.34 N ATOM 826 CA VAL A 96 -5.275 -1.321 5.215 1.00 47.59 C ATOM 827 C VAL A 96 -5.008 -0.342 6.349 1.00 61.34 C ATOM 828 O VAL A 96 -5.939 0.239 6.907 1.00 74.27 O ATOM 829 CB VAL A 96 -5.100 -2.784 5.687 1.00 53.73 C ATOM 830 CG1 VAL A 96 -5.890 -3.054 6.962 1.00 57.98 C ATOM 831 CG2 VAL A 96 -5.530 -3.743 4.587 1.00 62.49 C ATOM 832 H VAL A 96 -3.448 -1.438 4.060 1.00 0.00 H ATOM 833 N VAL A 97 -3.740 -0.142 6.702 1.00 41.36 N ATOM 834 CA VAL A 97 -3.397 0.577 7.928 1.00 36.98 C ATOM 835 C VAL A 97 -3.827 2.031 7.776 1.00 41.25 C ATOM 836 O VAL A 97 -3.290 2.775 6.950 1.00 34.87 O ATOM 837 CB VAL A 97 -1.906 0.464 8.250 1.00 27.52 C ATOM 838 CG1 VAL A 97 -1.553 1.324 9.447 1.00 35.12 C ATOM 839 CG2 VAL A 97 -1.561 -0.973 8.546 1.00 30.13 C ATOM 840 H VAL A 97 -2.978 -0.504 6.094 1.00 0.00 H ATOM 841 N GLU A 98 -4.792 2.437 8.581 1.00 33.43 N ATOM 842 CA GLU A 98 -5.408 3.744 8.487 1.00 34.10 C ATOM 843 C GLU A 98 -5.307 4.413 9.841 1.00 29.76 C ATOM 844 O GLU A 98 -5.041 3.757 10.857 1.00 27.83 O ATOM 845 CB GLU A 98 -6.880 3.639 8.062 1.00 45.26 C ATOM 846 H GLU A 98 -5.126 1.785 9.319 1.00 0.00 H ATOM 847 N PRO A 99 -5.512 5.718 9.893 1.00 30.64 N ATOM 848 CA PRO A 99 -5.530 6.393 11.184 1.00 26.31 C ATOM 849 C PRO A 99 -6.681 5.891 12.044 1.00 23.89 C ATOM 850 O PRO A 99 -7.780 5.617 11.554 1.00 27.26 O ATOM 851 CB PRO A 99 -5.700 7.870 10.804 1.00 30.70 C ATOM 852 CG PRO A 99 -5.311 7.954 9.392 1.00 41.98 C ATOM 853 CD PRO A 99 -5.666 6.666 8.778 1.00 36.77 C ATOM 854 N GLY A 100 -6.417 5.770 13.329 1.00 23.17 N ATOM 855 CA GLY A 100 -7.460 5.476 14.287 1.00 22.51 C ATOM 856 C GLY A 100 -8.202 6.730 14.695 1.00 26.45 C ATOM 857 O GLY A 100 -7.818 7.842 14.360 1.00 26.05 O ATOM 858 H GLY A 100 -5.439 5.888 13.661 1.00 0.00 H ATOM 859 N SER A 101 -9.304 6.544 15.418 1.00 27.56 N ATOM 860 CA SER A 101 -10.107 7.668 15.891 1.00 27.73 C ATOM 861 C SER A 101 -10.102 7.751 17.411 1.00 26.91 C ATOM 862 O SER A 101 -10.900 8.506 17.987 1.00 31.48 O ATOM 863 CB SER A 101 -11.547 7.569 15.379 1.00 34.32 C ATOM 864 OG SER A 101 -12.255 6.552 16.065 1.00 46.97 O ATOM 865 HG SER A 101 -11.804 5.683 15.921 1.00 0.00 H ATOM 866 H SER A 101 -9.600 5.575 15.652 1.00 0.00 H ATOM 867 N VAL A 102 -9.194 7.029 18.060 1.00 24.45 N ATOM 868 CA VAL A 102 -9.066 6.999 19.497 1.00 22.96 C ATOM 869 C VAL A 102 -7.588 7.151 19.853 1.00 25.68 C ATOM 870 O VAL A 102 -6.733 7.382 18.999 1.00 23.96 O ATOM 871 CB VAL A 102 -9.665 5.713 20.108 1.00 25.47 C ATOM 872 CG1 VAL A 102 -11.151 5.654 19.845 1.00 31.77 C ATOM 873 CG2 VAL A 102 -8.976 4.469 19.521 1.00 24.04 C ATOM 874 H VAL A 102 -8.536 6.451 17.498 1.00 0.00 H ATOM 875 N GLN A 103 -7.300 7.061 21.139 1.00 28.66 N ATOM 876 CA GLN A 103 -5.932 7.075 21.609 1.00 28.06 C ATOM 877 C GLN A 103 -5.735 5.802 22.417 1.00 31.00 C ATOM 878 O GLN A 103 -6.703 5.141 22.810 1.00 33.65 O ATOM 879 CB GLN A 103 -5.637 8.321 22.442 1.00 24.40 C ATOM 880 CG GLN A 103 -5.875 9.695 21.746 1.00 29.43 C ATOM 881 CD GLN A 103 -4.879 10.065 20.629 1.00 40.72 C ATOM 882 OE1 GLN A 103 -5.176 10.933 19.795 1.00 31.56 O ATOM 883 NE2 GLN A 103 -3.701 9.434 20.619 1.00 36.59 N ATOM 884 HE22 GLN A 103 -3.492 8.712 21.337 1.00 0.00 H ATOM 885 HE21 GLN A 103 -2.993 9.665 19.893 1.00 0.00 H ATOM 886 H GLN A 103 -8.074 6.978 21.829 1.00 0.00 H ATOM 887 N ALA A 104 -4.487 5.420 22.635 1.00 19.65 N ATOM 888 CA ALA A 104 -4.250 4.273 23.491 1.00 18.90 C ATOM 889 C ALA A 104 -2.995 4.486 24.319 1.00 20.88 C ATOM 890 O ALA A 104 -2.188 5.379 24.070 1.00 20.37 O ATOM 891 CB ALA A 104 -4.149 2.972 22.687 1.00 17.46 C ATOM 892 H ALA A 104 -3.692 5.932 22.201 1.00 0.00 H ATOM 893 N ASP A 105 -2.848 3.622 25.314 1.00 17.41 N ATOM 894 CA ASP A 105 -1.787 3.715 26.309 1.00 16.59 C ATOM 895 C ASP A 105 -0.524 3.043 25.765 1.00 14.89 C ATOM 896 O ASP A 105 -0.527 1.835 25.487 1.00 14.46 O ATOM 897 CB ASP A 105 -2.300 3.054 27.593 1.00 15.85 C ATOM 898 CG ASP A 105 -1.308 3.082 28.738 1.00 16.61 C ATOM 899 OD1 ASP A 105 -0.116 2.802 28.510 1.00 18.76 O ATOM 900 OD2 ASP A 105 -1.754 3.365 29.857 1.00 18.23 O ATOM 901 H ASP A 105 -3.526 2.836 25.388 1.00 0.00 H ATOM 902 N PHE A 106 0.548 3.815 25.578 1.00 15.49 N ATOM 903 CA PHE A 106 1.723 3.269 24.914 1.00 17.29 C ATOM 904 C PHE A 106 2.408 2.207 25.752 1.00 18.90 C ATOM 905 O PHE A 106 3.049 1.317 25.191 1.00 18.35 O ATOM 906 CB PHE A 106 2.712 4.372 24.521 1.00 20.72 C ATOM 907 CG PHE A 106 3.692 4.801 25.580 1.00 23.70 C ATOM 908 CD1 PHE A 106 3.392 5.866 26.429 1.00 26.74 C ATOM 909 CD2 PHE A 106 4.952 4.225 25.667 1.00 23.98 C ATOM 910 CE1 PHE A 106 4.321 6.320 27.377 1.00 31.27 C ATOM 911 CE2 PHE A 106 5.879 4.679 26.607 1.00 27.72 C ATOM 912 CZ PHE A 106 5.558 5.731 27.459 1.00 31.46 C ATOM 913 H PHE A 106 0.544 4.802 25.905 1.00 0.00 H ATOM 914 N LEU A 107 2.288 2.267 27.077 1.00 14.84 N ATOM 915 CA LEU A 107 2.898 1.215 27.884 1.00 16.02 C ATOM 916 C LEU A 107 2.093 -0.081 27.797 1.00 16.95 C ATOM 917 O LEU A 107 2.681 -1.177 27.803 1.00 16.84 O ATOM 918 CB LEU A 107 3.064 1.678 29.334 1.00 16.58 C ATOM 919 CG LEU A 107 4.140 2.750 29.540 1.00 18.38 C ATOM 920 CD1 LEU A 107 4.155 3.291 30.981 1.00 21.75 C ATOM 921 CD2 LEU A 107 5.503 2.185 29.167 1.00 21.85 C ATOM 922 H LEU A 107 1.770 3.048 27.528 1.00 0.00 H ATOM 923 N ASP A 108 0.766 0.004 27.639 1.00 15.25 N ATOM 924 CA ASP A 108 -0.002 -1.188 27.261 1.00 15.36 C ATOM 925 C ASP A 108 0.479 -1.747 25.931 1.00 15.43 C ATOM 926 O ASP A 108 0.580 -2.968 25.761 1.00 16.06 O ATOM 927 CB ASP A 108 -1.493 -0.877 27.159 1.00 15.43 C ATOM 928 CG ASP A 108 -2.205 -0.839 28.485 1.00 18.74 C ATOM 929 OD1 ASP A 108 -1.560 -0.840 29.553 1.00 19.91 O ATOM 930 OD2 ASP A 108 -3.448 -0.769 28.429 1.00 25.16 O ATOM 931 H ASP A 108 0.281 0.912 27.784 1.00 0.00 H ATOM 932 N ALA A 109 0.736 -0.872 24.953 1.00 13.43 N ATOM 933 CA ALA A 109 1.191 -1.356 23.651 1.00 13.20 C ATOM 934 C ALA A 109 2.562 -2.004 23.761 1.00 14.74 C ATOM 935 O ALA A 109 2.842 -3.006 23.077 1.00 14.10 O ATOM 936 CB ALA A 109 1.226 -0.220 22.628 1.00 17.37 C ATOM 937 H ALA A 109 0.613 0.147 25.118 1.00 0.00 H ATOM 938 N LEU A 110 3.415 -1.456 24.622 1.00 16.52 N ATOM 939 CA LEU A 110 4.732 -2.018 24.861 1.00 14.42 C ATOM 940 C LEU A 110 4.606 -3.407 25.459 1.00 13.62 C ATOM 941 O LEU A 110 5.318 -4.323 25.049 1.00 16.70 O ATOM 942 CB LEU A 110 5.528 -1.101 25.783 1.00 16.15 C ATOM 943 CG LEU A 110 6.939 -1.553 26.112 1.00 18.45 C ATOM 944 CD1 LEU A 110 7.777 -1.848 24.864 1.00 25.73 C ATOM 945 CD2 LEU A 110 7.603 -0.472 26.952 1.00 22.62 C ATOM 946 H LEU A 110 3.130 -0.600 25.139 1.00 0.00 H ATOM 947 N ILE A 111 3.689 -3.577 26.413 1.00 13.35 N ATOM 948 CA ILE A 111 3.482 -4.883 27.037 1.00 14.56 C ATOM 949 C ILE A 111 2.976 -5.896 26.006 1.00 14.72 C ATOM 950 O ILE A 111 3.413 -7.055 25.979 1.00 15.94 O ATOM 951 CB ILE A 111 2.520 -4.744 28.232 1.00 15.54 C ATOM 952 CG1 ILE A 111 3.169 -3.928 29.353 1.00 16.13 C ATOM 953 CG2 ILE A 111 2.094 -6.142 28.744 1.00 16.20 C ATOM 954 CD1 ILE A 111 2.164 -3.460 30.407 1.00 16.39 C ATOM 955 H ILE A 111 3.112 -2.767 26.718 1.00 0.00 H ATOM 956 N VAL A 112 2.011 -5.504 25.174 1.00 14.94 N ATOM 957 CA VAL A 112 1.528 -6.405 24.126 1.00 13.53 C ATOM 958 C VAL A 112 2.682 -6.835 23.228 1.00 13.74 C ATOM 959 O VAL A 112 2.793 -8.016 22.849 1.00 14.81 O ATOM 960 CB VAL A 112 0.411 -5.717 23.311 1.00 14.50 C ATOM 961 CG1 VAL A 112 0.132 -6.449 22.006 1.00 14.71 C ATOM 962 CG2 VAL A 112 -0.864 -5.609 24.129 1.00 15.19 C ATOM 963 H VAL A 112 1.599 -4.554 25.270 1.00 0.00 H ATOM 964 N SER A 113 3.559 -5.879 22.875 1.00 14.30 N ATOM 965 CA SER A 113 4.713 -6.162 22.031 1.00 14.88 C ATOM 966 C SER A 113 5.682 -7.114 22.722 1.00 15.65 C ATOM 967 O SER A 113 6.187 -8.058 22.096 1.00 16.52 O ATOM 968 CB SER A 113 5.427 -4.859 21.659 1.00 16.38 C ATOM 969 OG SER A 113 4.575 -3.990 20.925 1.00 16.80 O ATOM 970 HG SER A 113 3.781 -3.768 21.473 1.00 0.00 H ATOM 971 H SER A 113 3.409 -4.908 23.215 1.00 0.00 H ATOM 972 N MET A 114 5.917 -6.907 24.021 1.00 15.94 N ATOM 973 CA MET A 114 6.783 -7.794 24.790 1.00 15.41 C ATOM 974 C MET A 114 6.210 -9.198 24.874 1.00 15.87 C ATOM 975 O MET A 114 6.954 -10.181 24.779 1.00 16.44 O ATOM 976 CB MET A 114 6.996 -7.252 26.203 1.00 18.90 C ATOM 977 CG MET A 114 7.828 -5.959 26.226 1.00 17.50 C ATOM 978 SD MET A 114 7.719 -5.109 27.807 1.00 18.28 S ATOM 979 CE MET A 114 8.530 -6.311 28.866 1.00 19.32 C ATOM 980 H MET A 114 5.472 -6.095 24.495 1.00 0.00 H ATOM 981 N ASP A 115 4.907 -9.306 25.136 1.00 14.85 N ATOM 982 CA ASP A 115 4.237 -10.604 25.199 1.00 14.76 C ATOM 983 C ASP A 115 4.310 -11.334 23.866 1.00 14.94 C ATOM 984 O ASP A 115 4.501 -12.556 23.837 1.00 16.42 O ATOM 985 CB ASP A 115 2.783 -10.397 25.622 1.00 14.00 C ATOM 986 CG ASP A 115 1.980 -11.677 25.660 1.00 15.03 C ATOM 987 OD1 ASP A 115 2.182 -12.472 26.600 1.00 16.35 O ATOM 988 OD2 ASP A 115 1.130 -11.862 24.757 1.00 17.47 O ATOM 989 H ASP A 115 4.351 -8.442 25.300 1.00 0.00 H ATOM 990 N LEU A 116 4.163 -10.599 22.760 1.00 15.03 N ATOM 991 CA LEU A 116 4.288 -11.167 21.416 1.00 14.84 C ATOM 992 C LEU A 116 5.675 -11.760 21.215 1.00 18.62 C ATOM 993 O LEU A 116 5.820 -12.914 20.793 1.00 18.72 O ATOM 994 CB LEU A 116 3.990 -10.075 20.364 1.00 17.55 C ATOM 995 CG LEU A 116 3.922 -10.488 18.888 1.00 22.23 C ATOM 996 CD1 LEU A 116 2.767 -11.411 18.687 1.00 28.34 C ATOM 997 CD2 LEU A 116 3.731 -9.256 18.047 1.00 23.74 C ATOM 998 H LEU A 116 3.952 -9.585 22.857 1.00 0.00 H ATOM 999 N LEU A 117 6.712 -11.001 21.563 1.00 17.16 N ATOM 1000 CA LEU A 117 8.076 -11.506 21.468 1.00 17.89 C ATOM 1001 C LEU A 117 8.279 -12.711 22.386 1.00 18.29 C ATOM 1002 O LEU A 117 8.847 -13.727 21.970 1.00 20.59 O ATOM 1003 CB LEU A 117 9.088 -10.412 21.813 1.00 18.82 C ATOM 1004 CG LEU A 117 9.318 -9.328 20.764 1.00 20.67 C ATOM 1005 CD1 LEU A 117 10.207 -8.224 21.329 1.00 21.94 C ATOM 1006 CD2 LEU A 117 9.952 -9.929 19.523 1.00 23.31 C ATOM 1007 H LEU A 117 6.546 -10.034 21.908 1.00 0.00 H ATOM 1008 N GLN A 118 7.823 -12.614 23.643 1.00 17.83 N ATOM 1009 CA GLN A 118 8.031 -13.702 24.595 1.00 17.23 C ATOM 1010 C GLN A 118 7.454 -15.004 24.049 1.00 18.03 C ATOM 1011 O GLN A 118 8.102 -16.056 24.102 1.00 19.73 O ATOM 1012 CB GLN A 118 7.411 -13.341 25.953 1.00 17.74 C ATOM 1013 CG GLN A 118 7.462 -14.455 26.986 1.00 18.03 C ATOM 1014 CD GLN A 118 8.869 -14.854 27.380 1.00 22.86 C ATOM 1015 OE1 GLN A 118 9.784 -14.049 27.392 1.00 26.19 O ATOM 1016 NE2 GLN A 118 9.036 -16.129 27.729 1.00 29.61 N ATOM 1017 HE22 GLN A 118 8.229 -16.785 27.705 1.00 0.00 H ATOM 1018 HE21 GLN A 118 9.973 -16.469 28.025 1.00 0.00 H ATOM 1019 H GLN A 118 7.317 -11.756 23.943 1.00 0.00 H ATOM 1020 N LYS A 119 6.240 -14.954 23.507 1.00 17.94 N ATOM 1021 CA LYS A 119 5.609 -16.178 23.033 1.00 19.44 C ATOM 1022 C LYS A 119 6.241 -16.650 21.734 1.00 18.00 C ATOM 1023 O LYS A 119 6.568 -17.834 21.581 1.00 21.63 O ATOM 1024 CB LYS A 119 4.109 -15.971 22.833 1.00 19.33 C ATOM 1025 CG LYS A 119 3.396 -17.254 22.389 1.00 20.15 C ATOM 1026 CD LYS A 119 1.904 -17.060 22.301 1.00 20.94 C ATOM 1027 CE LYS A 119 1.166 -18.359 22.209 1.00 24.27 C ATOM 1028 NZ LYS A 119 -0.286 -18.116 22.192 1.00 25.69 N ATOM 1029 HZ1 LYS A 119 -0.564 -17.626 23.066 1.00 0.00 H ATOM 1030 HZ2 LYS A 119 -0.528 -17.526 21.370 1.00 0.00 H ATOM 1031 HZ3 LYS A 119 -0.788 -19.025 22.128 1.00 0.00 H ATOM 1032 H LYS A 119 5.743 -14.044 23.422 1.00 0.00 H ATOM 1033 N GLU A 120 6.413 -15.736 20.779 1.00 18.70 N ATOM 1034 CA GLU A 120 6.688 -16.171 19.418 1.00 19.43 C ATOM 1035 C GLU A 120 8.174 -16.385 19.143 1.00 23.46 C ATOM 1036 O GLU A 120 8.519 -16.934 18.084 1.00 29.40 O ATOM 1037 CB GLU A 120 6.031 -15.204 18.436 1.00 19.08 C ATOM 1038 CG GLU A 120 4.522 -15.169 18.658 1.00 25.24 C ATOM 1039 CD GLU A 120 3.743 -14.451 17.585 1.00 29.34 C ATOM 1040 OE1 GLU A 120 4.358 -13.790 16.721 1.00 26.20 O ATOM 1041 OE2 GLU A 120 2.494 -14.529 17.613 1.00 27.99 O ATOM 1042 H GLU A 120 6.351 -14.723 21.004 1.00 0.00 H ATOM 1043 N THR A 121 9.052 -16.052 20.088 1.00 23.65 N ATOM 1044 CA THR A 121 10.458 -16.433 20.002 1.00 25.26 C ATOM 1045 C THR A 121 10.782 -17.689 20.789 1.00 27.78 C ATOM 1046 O THR A 121 11.952 -18.082 20.822 1.00 30.35 O ATOM 1047 CB THR A 121 11.381 -15.325 20.511 1.00 24.90 C ATOM 1048 OG1 THR A 121 11.121 -15.068 21.901 1.00 26.74 O ATOM 1049 CG2 THR A 121 11.192 -14.059 19.700 1.00 22.00 C ATOM 1050 HG1 THR A 121 10.179 -14.785 22.012 1.00 0.00 H ATOM 1051 H THR A 121 8.726 -15.505 20.910 1.00 0.00 H ATOM 1052 N LEU A 122 9.792 -18.332 21.404 1.00 26.77 N ATOM 1053 CA LEU A 122 10.064 -19.510 22.226 1.00 31.13 C ATOM 1054 C LEU A 122 10.828 -20.569 21.450 1.00 35.60 C ATOM 1055 O LEU A 122 10.451 -20.946 20.336 1.00 32.13 O ATOM 1056 CB LEU A 122 8.761 -20.106 22.763 1.00 27.64 C ATOM 1057 CG LEU A 122 8.206 -19.413 23.997 1.00 27.02 C ATOM 1058 CD1 LEU A 122 6.802 -19.918 24.355 1.00 27.30 C ATOM 1059 CD2 LEU A 122 9.147 -19.556 25.188 1.00 34.34 C ATOM 1060 H LEU A 122 8.815 -17.993 21.299 1.00 0.00 H ATOM 1061 N GLY A 123 11.913 -21.041 22.053 1.00 33.87 N ATOM 1062 CA GLY A 123 12.667 -22.146 21.511 1.00 38.96 C ATOM 1063 C GLY A 123 13.533 -21.824 20.316 1.00 45.94 C ATOM 1064 O GLY A 123 14.129 -22.743 19.745 1.00 45.21 O ATOM 1065 H GLY A 123 12.228 -20.602 22.941 1.00 0.00 H ATOM 1066 N LYS A 124 13.631 -20.559 19.913 1.00 42.27 N ATOM 1067 CA LYS A 124 14.444 -20.177 18.768 1.00 38.40 C ATOM 1068 C LYS A 124 15.529 -19.208 19.213 1.00 41.52 C ATOM 1069 O LYS A 124 15.439 -18.590 20.278 1.00 37.80 O ATOM 1070 CB LYS A 124 13.587 -19.546 17.665 1.00 42.01 C ATOM 1071 CG LYS A 124 12.509 -20.481 17.149 1.00 41.46 C ATOM 1072 CD LYS A 124 11.191 -19.764 16.904 1.00 58.13 C ATOM 1073 CE LYS A 124 11.036 -19.355 15.459 1.00 70.68 C ATOM 1074 NZ LYS A 124 9.632 -18.973 15.183 1.00 77.86 N ATOM 1075 HZ1 LYS A 124 9.009 -19.783 15.377 1.00 0.00 H ATOM 1076 HZ2 LYS A 124 9.365 -18.175 15.794 1.00 0.00 H ATOM 1077 HZ3 LYS A 124 9.540 -18.694 14.185 1.00 0.00 H ATOM 1078 H LYS A 124 13.111 -19.822 20.432 1.00 0.00 H ATOM 1079 N LYS A 125 16.553 -19.077 18.376 1.00 41.23 N ATOM 1080 CA LYS A 125 17.731 -18.274 18.677 1.00 39.06 C ATOM 1081 C LYS A 125 17.723 -17.018 17.823 1.00 35.70 C ATOM 1082 O LYS A 125 17.590 -17.097 16.596 1.00 37.85 O ATOM 1083 CB LYS A 125 19.016 -19.063 18.418 1.00 47.54 C ATOM 1084 H LYS A 125 16.512 -19.572 17.462 1.00 0.00 H ATOM 1085 N TYR A 126 17.879 -15.872 18.474 1.00 36.88 N ATOM 1086 CA TYR A 126 17.932 -14.585 17.806 1.00 33.40 C ATOM 1087 C TYR A 126 19.184 -13.843 18.243 1.00 35.06 C ATOM 1088 O TYR A 126 19.685 -14.036 19.355 1.00 43.21 O ATOM 1089 CB TYR A 126 16.690 -13.743 18.129 1.00 33.73 C ATOM 1090 CG TYR A 126 15.415 -14.369 17.628 1.00 30.79 C ATOM 1091 CD1 TYR A 126 14.744 -15.332 18.379 1.00 32.97 C ATOM 1092 CD2 TYR A 126 14.895 -14.017 16.388 1.00 27.34 C ATOM 1093 CE1 TYR A 126 13.585 -15.917 17.909 1.00 32.81 C ATOM 1094 CE2 TYR A 126 13.739 -14.593 15.909 1.00 31.44 C ATOM 1095 CZ TYR A 126 13.085 -15.543 16.674 1.00 33.10 C ATOM 1096 OH TYR A 126 11.934 -16.123 16.194 1.00 33.08 O ATOM 1097 HH TYR A 126 11.252 -15.422 16.039 1.00 0.00 H ATOM 1098 H TYR A 126 17.967 -15.898 19.510 1.00 0.00 H ATOM 1099 N THR A 127 19.685 -12.988 17.353 1.00 33.12 N ATOM 1100 CA THR A 127 20.804 -12.129 17.710 1.00 35.53 C ATOM 1101 C THR A 127 20.351 -11.028 18.657 1.00 40.61 C ATOM 1102 O THR A 127 21.067 -10.672 19.600 1.00 40.25 O ATOM 1103 CB THR A 127 21.430 -11.526 16.453 1.00 40.06 C ATOM 1104 OG1 THR A 127 20.494 -10.634 15.834 1.00 58.58 O ATOM 1105 CG2 THR A 127 21.813 -12.610 15.469 1.00 47.60 C ATOM 1106 HG1 THR A 127 19.676 -11.134 15.588 1.00 0.00 H ATOM 1107 H THR A 127 19.275 -12.934 16.399 1.00 0.00 H ATOM 1108 N ARG A 128 19.167 -10.471 18.421 1.00 31.31 N ATOM 1109 CA ARG A 128 18.625 -9.471 19.319 1.00 31.52 C ATOM 1110 C ARG A 128 17.111 -9.510 19.218 1.00 28.91 C ATOM 1111 O ARG A 128 16.544 -9.992 18.233 1.00 26.21 O ATOM 1112 CB ARG A 128 19.153 -8.064 19.002 1.00 45.01 C ATOM 1113 CG ARG A 128 18.513 -7.410 17.795 1.00 51.99 C ATOM 1114 H ARG A 128 18.623 -10.756 17.582 1.00 0.00 H ATOM 1115 N LEU A 129 16.476 -9.041 20.286 1.00 27.46 N ATOM 1116 CA LEU A 129 15.048 -8.782 20.335 1.00 25.09 C ATOM 1117 C LEU A 129 14.870 -7.278 20.437 1.00 27.11 C ATOM 1118 O LEU A 129 15.509 -6.639 21.278 1.00 26.80 O ATOM 1119 CB LEU A 129 14.396 -9.460 21.538 1.00 25.47 C ATOM 1120 CG LEU A 129 14.505 -10.974 21.682 1.00 38.14 C ATOM 1121 CD1 LEU A 129 13.537 -11.452 22.757 1.00 32.91 C ATOM 1122 CD2 LEU A 129 14.245 -11.688 20.384 1.00 34.86 C ATOM 1123 H LEU A 129 17.036 -8.847 21.140 1.00 0.00 H ATOM 1124 N HIS A 130 14.010 -6.717 19.597 1.00 22.90 N ATOM 1125 CA HIS A 130 13.954 -5.274 19.446 1.00 22.59 C ATOM 1126 C HIS A 130 12.514 -4.791 19.342 1.00 21.71 C ATOM 1127 O HIS A 130 11.699 -5.394 18.639 1.00 22.91 O ATOM 1128 CB HIS A 130 14.731 -4.853 18.208 1.00 26.39 C ATOM 1129 CG HIS A 130 14.882 -3.372 18.096 1.00 34.52 C ATOM 1130 ND1 HIS A 130 15.417 -2.611 19.110 1.00 45.21 N ATOM 1131 CD2 HIS A 130 14.521 -2.505 17.121 1.00 35.79 C ATOM 1132 CE1 HIS A 130 15.404 -1.340 18.753 1.00 30.28 C ATOM 1133 NE2 HIS A 130 14.871 -1.249 17.548 1.00 45.56 N ATOM 1134 H HIS A 130 13.369 -7.318 19.040 1.00 0.00 H ATOM 1135 N ILE A 131 12.215 -3.683 20.019 1.00 21.17 N ATOM 1136 CA ILE A 131 10.931 -3.001 19.877 1.00 18.63 C ATOM 1137 C ILE A 131 11.215 -1.558 19.498 1.00 18.29 C ATOM 1138 O ILE A 131 11.942 -0.857 20.212 1.00 20.32 O ATOM 1139 CB ILE A 131 10.079 -3.056 21.156 1.00 17.00 C ATOM 1140 CG1 ILE A 131 9.761 -4.506 21.531 1.00 18.58 C ATOM 1141 CG2 ILE A 131 8.767 -2.280 20.978 1.00 17.10 C ATOM 1142 CD1 ILE A 131 9.209 -4.651 22.926 1.00 20.40 C ATOM 1143 H ILE A 131 12.922 -3.289 20.673 1.00 0.00 H ATOM 1144 N ALA A 132 10.634 -1.118 18.388 1.00 17.58 N ATOM 1145 CA ALA A 132 10.756 0.253 17.903 1.00 17.64 C ATOM 1146 C ALA A 132 9.388 0.904 17.991 1.00 17.23 C ATOM 1147 O ALA A 132 8.441 0.464 17.336 1.00 18.28 O ATOM 1148 CB ALA A 132 11.278 0.273 16.465 1.00 19.96 C ATOM 1149 H ALA A 132 10.061 -1.787 17.834 1.00 0.00 H ATOM 1150 N VAL A 133 9.295 1.970 18.776 1.00 18.33 N ATOM 1151 CA VAL A 133 8.046 2.680 19.014 1.00 17.18 C ATOM 1152 C VAL A 133 8.039 3.955 18.184 1.00 19.30 C ATOM 1153 O VAL A 133 9.006 4.726 18.217 1.00 21.90 O ATOM 1154 CB VAL A 133 7.885 3.002 20.511 1.00 18.76 C ATOM 1155 CG1 VAL A 133 6.631 3.801 20.771 1.00 21.96 C ATOM 1156 CG2 VAL A 133 7.873 1.719 21.334 1.00 19.36 C ATOM 1157 H VAL A 133 10.157 2.315 19.244 1.00 0.00 H ATOM 1158 N PHE A 134 6.959 4.177 17.451 1.00 16.90 N ATOM 1159 CA PHE A 134 6.759 5.412 16.686 1.00 17.35 C ATOM 1160 C PHE A 134 5.537 6.130 17.229 1.00 18.68 C ATOM 1161 O PHE A 134 4.428 5.605 17.152 1.00 19.20 O ATOM 1162 CB PHE A 134 6.540 5.126 15.202 1.00 18.69 C ATOM 1163 CG PHE A 134 7.757 4.653 14.468 1.00 20.41 C ATOM 1164 CD1 PHE A 134 8.241 3.365 14.637 1.00 24.07 C ATOM 1165 CD2 PHE A 134 8.401 5.498 13.581 1.00 24.77 C ATOM 1166 CE1 PHE A 134 9.367 2.931 13.914 1.00 27.97 C ATOM 1167 CE2 PHE A 134 9.514 5.077 12.879 1.00 31.33 C ATOM 1168 CZ PHE A 134 10.000 3.805 13.050 1.00 24.88 C ATOM 1169 H PHE A 134 6.221 3.445 17.416 1.00 0.00 H ATOM 1170 N SER A 135 5.717 7.369 17.696 1.00 17.71 N ATOM 1171 CA SER A 135 4.622 8.036 18.384 1.00 18.28 C ATOM 1172 C SER A 135 4.906 9.522 18.526 1.00 16.82 C ATOM 1173 O SER A 135 6.058 9.936 18.590 1.00 18.36 O ATOM 1174 CB SER A 135 4.431 7.448 19.774 1.00 19.20 C ATOM 1175 OG SER A 135 3.370 8.077 20.463 1.00 19.65 O ATOM 1176 HG SER A 135 2.530 7.956 19.954 1.00 0.00 H ATOM 1177 H SER A 135 6.630 7.851 17.569 1.00 0.00 H ATOM 1178 N ASP A 136 3.834 10.300 18.625 1.00 17.02 N ATOM 1179 CA ASP A 136 3.945 11.695 19.005 1.00 17.25 C ATOM 1180 C ASP A 136 3.720 11.917 20.496 1.00 17.18 C ATOM 1181 O ASP A 136 3.783 13.059 20.940 1.00 16.72 O ATOM 1182 CB ASP A 136 2.958 12.547 18.192 1.00 19.31 C ATOM 1183 CG ASP A 136 1.524 12.371 18.642 1.00 17.73 C ATOM 1184 OD1 ASP A 136 1.211 11.386 19.347 1.00 19.70 O ATOM 1185 OD2 ASP A 136 0.707 13.250 18.291 1.00 27.65 O ATOM 1186 H ASP A 136 2.895 9.900 18.426 1.00 0.00 H ATOM 1187 N LEU A 137 3.490 10.858 21.274 1.00 17.13 N ATOM 1188 CA LEU A 137 3.349 10.914 22.737 1.00 16.70 C ATOM 1189 C LEU A 137 2.238 11.866 23.193 1.00 17.80 C ATOM 1190 O LEU A 137 2.286 12.402 24.303 1.00 17.53 O ATOM 1191 CB LEU A 137 4.672 11.288 23.407 1.00 19.72 C ATOM 1192 CG LEU A 137 5.863 10.386 23.105 1.00 29.30 C ATOM 1193 CD1 LEU A 137 7.119 10.944 23.771 1.00 35.86 C ATOM 1194 CD2 LEU A 137 5.594 8.969 23.558 1.00 31.83 C ATOM 1195 H LEU A 137 3.405 9.929 20.814 1.00 0.00 H ATOM 1196 N SER A 138 1.215 12.066 22.366 1.00 16.75 N ATOM 1197 CA SER A 138 0.136 12.974 22.731 1.00 21.03 C ATOM 1198 C SER A 138 -0.889 12.343 23.665 1.00 23.79 C ATOM 1199 O SER A 138 -1.739 13.067 24.196 1.00 19.37 O ATOM 1200 CB SER A 138 -0.576 13.471 21.472 1.00 27.31 C ATOM 1201 OG SER A 138 -1.337 12.435 20.875 1.00 32.35 O ATOM 1202 HG SER A 138 -0.737 11.688 20.627 1.00 0.00 H ATOM 1203 H SER A 138 1.186 11.570 21.452 1.00 0.00 H ATOM 1204 N SER A 139 -0.825 11.026 23.891 1.00 25.47 N ATOM 1205 CA SER A 139 -1.897 10.324 24.577 1.00 29.82 C ATOM 1206 C SER A 139 -1.523 9.985 26.022 1.00 22.94 C ATOM 1207 O SER A 139 -0.357 9.707 26.321 1.00 19.09 O ATOM 1208 CB SER A 139 -2.257 9.029 23.841 1.00 32.19 C ATOM 1209 OG SER A 139 -1.169 8.121 23.833 1.00 36.02 O ATOM 1210 HG SER A 139 -0.922 7.896 24.765 1.00 0.00 H ATOM 1211 H SER A 139 0.009 10.494 23.569 1.00 0.00 H ATOM 1212 N PRO A 140 -2.495 9.994 26.938 1.00 20.27 N ATOM 1213 CA PRO A 140 -2.218 9.605 28.327 1.00 21.30 C ATOM 1214 C PRO A 140 -1.770 8.156 28.453 1.00 18.53 C ATOM 1215 O PRO A 140 -2.047 7.304 27.602 1.00 20.90 O ATOM 1216 CB PRO A 140 -3.561 9.817 29.034 1.00 30.99 C ATOM 1217 CG PRO A 140 -4.377 10.632 28.109 1.00 33.63 C ATOM 1218 CD PRO A 140 -3.914 10.321 26.735 1.00 28.76 C ATOM 1219 N PHE A 141 -1.084 7.885 29.560 1.00 19.66 N ATOM 1220 CA PHE A 141 -0.651 6.537 29.896 1.00 20.31 C ATOM 1221 C PHE A 141 -0.589 6.371 31.411 1.00 20.81 C ATOM 1222 O PHE A 141 -0.430 7.334 32.167 1.00 21.28 O ATOM 1223 CB PHE A 141 0.719 6.224 29.299 1.00 17.98 C ATOM 1224 CG PHE A 141 1.790 7.187 29.736 1.00 19.46 C ATOM 1225 CD1 PHE A 141 2.548 6.962 30.877 1.00 22.09 C ATOM 1226 CD2 PHE A 141 2.019 8.334 29.005 1.00 19.21 C ATOM 1227 CE1 PHE A 141 3.526 7.848 31.268 1.00 23.68 C ATOM 1228 CE2 PHE A 141 2.996 9.222 29.376 1.00 22.85 C ATOM 1229 CZ PHE A 141 3.749 9.005 30.515 1.00 23.93 C ATOM 1230 H PHE A 141 -0.849 8.664 30.208 1.00 0.00 H ATOM 1231 N SER A 142 -0.704 5.127 31.838 1.00 18.36 N ATOM 1232 CA SER A 142 -0.529 4.738 33.230 1.00 17.93 C ATOM 1233 C SER A 142 0.859 4.165 33.448 1.00 17.09 C ATOM 1234 O SER A 142 1.334 3.362 32.645 1.00 16.90 O ATOM 1235 CB SER A 142 -1.562 3.696 33.645 1.00 19.66 C ATOM 1236 OG SER A 142 -1.227 3.152 34.929 1.00 19.77 O ATOM 1237 HG SER A 142 -1.904 2.478 35.187 1.00 0.00 H ATOM 1238 H SER A 142 -0.931 4.387 31.144 1.00 0.00 H ATOM 1239 N VAL A 143 1.493 4.545 34.555 1.00 17.78 N ATOM 1240 CA VAL A 143 2.788 3.967 34.912 1.00 17.78 C ATOM 1241 C VAL A 143 2.660 2.783 35.866 1.00 17.76 C ATOM 1242 O VAL A 143 3.666 2.301 36.384 1.00 19.24 O ATOM 1243 CB VAL A 143 3.730 5.013 35.526 1.00 21.32 C ATOM 1244 CG1 VAL A 143 4.048 6.076 34.501 1.00 28.85 C ATOM 1245 CG2 VAL A 143 3.137 5.637 36.777 1.00 26.64 C ATOM 1246 H VAL A 143 1.062 5.262 35.173 1.00 0.00 H ATOM 1247 N ASP A 144 1.446 2.297 36.102 1.00 17.75 N ATOM 1248 CA ASP A 144 1.266 1.175 37.012 1.00 20.18 C ATOM 1249 C ASP A 144 2.153 -0.003 36.613 1.00 19.11 C ATOM 1250 O ASP A 144 2.121 -0.467 35.467 1.00 18.46 O ATOM 1251 CB ASP A 144 -0.201 0.749 37.034 1.00 20.10 C ATOM 1252 CG ASP A 144 -0.457 -0.417 37.989 1.00 23.21 C ATOM 1253 OD1 ASP A 144 -0.027 -0.342 39.162 1.00 25.71 O ATOM 1254 OD2 ASP A 144 -1.078 -1.418 37.564 1.00 24.23 O ATOM 1255 H ASP A 144 0.620 2.721 35.634 1.00 0.00 H ATOM 1256 N GLN A 145 2.954 -0.475 37.568 1.00 21.01 N ATOM 1257 CA GLN A 145 3.835 -1.627 37.384 1.00 20.34 C ATOM 1258 C GLN A 145 4.896 -1.402 36.308 1.00 18.95 C ATOM 1259 O GLN A 145 5.480 -2.367 35.798 1.00 20.62 O ATOM 1260 CB GLN A 145 3.015 -2.893 37.102 1.00 22.86 C ATOM 1261 CG GLN A 145 2.147 -3.275 38.295 1.00 22.46 C ATOM 1262 CD GLN A 145 1.248 -4.440 38.001 1.00 22.91 C ATOM 1263 OE1 GLN A 145 1.661 -5.595 38.074 1.00 23.49 O ATOM 1264 NE2 GLN A 145 0.013 -4.142 37.631 1.00 22.55 N ATOM 1265 HE22 GLN A 145 -0.290 -3.148 37.584 1.00 0.00 H ATOM 1266 HE21 GLN A 145 -0.654 -4.901 37.387 1.00 0.00 H ATOM 1267 H GLN A 145 2.952 0.001 38.493 1.00 0.00 H ATOM 1268 N LEU A 146 5.195 -0.142 35.975 1.00 18.70 N ATOM 1269 CA LEU A 146 6.291 0.125 35.051 1.00 20.19 C ATOM 1270 C LEU A 146 7.595 -0.513 35.514 1.00 17.73 C ATOM 1271 O LEU A 146 8.386 -0.975 34.683 1.00 19.84 O ATOM 1272 CB LEU A 146 6.466 1.635 34.865 1.00 19.18 C ATOM 1273 CG LEU A 146 7.614 2.102 33.975 1.00 18.56 C ATOM 1274 CD1 LEU A 146 7.499 1.509 32.591 1.00 21.39 C ATOM 1275 CD2 LEU A 146 7.594 3.596 33.879 1.00 17.86 C ATOM 1276 H LEU A 146 4.647 0.646 36.374 1.00 0.00 H ATOM 1277 N GLU A 147 7.838 -0.579 36.827 1.00 18.77 N ATOM 1278 CA GLU A 147 9.058 -1.221 37.312 1.00 20.89 C ATOM 1279 C GLU A 147 9.137 -2.690 36.881 1.00 20.00 C ATOM 1280 O GLU A 147 10.237 -3.217 36.660 1.00 21.69 O ATOM 1281 CB GLU A 147 9.153 -1.069 38.837 1.00 22.47 C ATOM 1282 CG GLU A 147 8.110 -1.834 39.658 1.00 23.77 C ATOM 1283 CD GLU A 147 6.727 -1.173 39.693 1.00 26.80 C ATOM 1284 OE1 GLU A 147 6.541 -0.067 39.121 1.00 24.71 O ATOM 1285 OE2 GLU A 147 5.823 -1.769 40.322 1.00 26.80 O ATOM 1286 H GLU A 147 7.159 -0.174 37.503 1.00 0.00 H ATOM 1287 N VAL A 148 7.991 -3.353 36.726 1.00 19.63 N ATOM 1288 CA VAL A 148 7.966 -4.742 36.274 1.00 23.18 C ATOM 1289 C VAL A 148 8.190 -4.819 34.769 1.00 21.79 C ATOM 1290 O VAL A 148 8.882 -5.722 34.278 1.00 23.59 O ATOM 1291 CB VAL A 148 6.633 -5.395 36.684 1.00 23.41 C ATOM 1292 CG1 VAL A 148 6.592 -6.874 36.257 1.00 23.80 C ATOM 1293 CG2 VAL A 148 6.414 -5.277 38.182 1.00 32.19 C ATOM 1294 H VAL A 148 7.093 -2.870 36.932 1.00 0.00 H ATOM 1295 N ILE A 149 7.615 -3.875 34.014 1.00 19.57 N ATOM 1296 CA ILE A 149 7.892 -3.796 32.584 1.00 20.88 C ATOM 1297 C ILE A 149 9.390 -3.693 32.350 1.00 20.63 C ATOM 1298 O ILE A 149 9.965 -4.447 31.551 1.00 20.70 O ATOM 1299 CB ILE A 149 7.158 -2.603 31.953 1.00 17.64 C ATOM 1300 CG1 ILE A 149 5.646 -2.691 32.179 1.00 19.39 C ATOM 1301 CG2 ILE A 149 7.448 -2.556 30.447 1.00 22.29 C ATOM 1302 CD1 ILE A 149 4.867 -1.439 31.715 1.00 20.14 C ATOM 1303 H ILE A 149 6.965 -3.191 34.451 1.00 0.00 H ATOM 1304 N ILE A 150 10.045 -2.765 33.059 1.00 19.98 N ATOM 1305 CA ILE A 150 11.480 -2.562 32.893 1.00 22.17 C ATOM 1306 C ILE A 150 12.245 -3.816 33.296 1.00 23.71 C ATOM 1307 O ILE A 150 13.181 -4.246 32.609 1.00 23.40 O ATOM 1308 CB ILE A 150 11.918 -1.325 33.697 1.00 20.62 C ATOM 1309 CG1 ILE A 150 11.348 -0.069 33.023 1.00 24.87 C ATOM 1310 CG2 ILE A 150 13.434 -1.269 33.835 1.00 23.25 C ATOM 1311 CD1 ILE A 150 11.556 1.207 33.815 1.00 31.52 C ATOM 1312 H ILE A 150 9.521 -2.179 33.740 1.00 0.00 H ATOM 1313 N ALA A 151 11.865 -4.427 34.416 1.00 22.18 N ATOM 1314 CA ALA A 151 12.545 -5.642 34.845 1.00 24.15 C ATOM 1315 C ALA A 151 12.478 -6.713 33.766 1.00 24.71 C ATOM 1316 O ALA A 151 13.457 -7.438 33.529 1.00 25.88 O ATOM 1317 CB ALA A 151 11.934 -6.155 36.148 1.00 27.45 C ATOM 1318 H ALA A 151 11.085 -4.038 34.983 1.00 0.00 H ATOM 1319 N ASN A 152 11.335 -6.824 33.096 1.00 23.39 N ATOM 1320 CA ASN A 152 11.175 -7.852 32.080 1.00 25.96 C ATOM 1321 C ASN A 152 11.889 -7.487 30.783 1.00 26.03 C ATOM 1322 O ASN A 152 12.442 -8.372 30.122 1.00 28.79 O ATOM 1323 CB ASN A 152 9.692 -8.123 31.842 1.00 22.75 C ATOM 1324 CG ASN A 152 9.140 -9.139 32.819 1.00 24.46 C ATOM 1325 OD1 ASN A 152 9.319 -10.355 32.643 1.00 27.22 O ATOM 1326 ND2 ASN A 152 8.495 -8.658 33.867 1.00 23.75 N ATOM 1327 HD22 ASN A 152 8.369 -7.631 33.974 1.00 0.00 H ATOM 1328 HD21 ASN A 152 8.114 -9.306 34.585 1.00 0.00 H ATOM 1329 H ASN A 152 10.551 -6.172 33.300 1.00 0.00 H ATOM 1330 N LEU A 153 11.921 -6.204 30.415 1.00 25.29 N ATOM 1331 CA LEU A 153 12.759 -5.793 29.291 1.00 24.05 C ATOM 1332 C LEU A 153 14.211 -6.194 29.517 1.00 30.67 C ATOM 1333 O LEU A 153 14.882 -6.680 28.597 1.00 30.60 O ATOM 1334 CB LEU A 153 12.664 -4.288 29.068 1.00 20.65 C ATOM 1335 CG LEU A 153 11.315 -3.820 28.530 1.00 23.08 C ATOM 1336 CD1 LEU A 153 11.175 -2.319 28.674 1.00 23.56 C ATOM 1337 CD2 LEU A 153 11.125 -4.211 27.072 1.00 27.19 C ATOM 1338 H LEU A 153 11.352 -5.500 30.926 1.00 0.00 H ATOM 1339 N LYS A 154 14.718 -5.997 30.735 1.00 26.81 N ATOM 1340 CA LYS A 154 16.091 -6.386 31.029 1.00 29.44 C ATOM 1341 C LYS A 154 16.253 -7.898 30.987 1.00 30.50 C ATOM 1342 O LYS A 154 17.196 -8.417 30.379 1.00 35.66 O ATOM 1343 CB LYS A 154 16.501 -5.846 32.395 1.00 32.83 C ATOM 1344 CG LYS A 154 16.624 -4.342 32.423 1.00 28.12 C ATOM 1345 CD LYS A 154 17.021 -3.857 33.814 1.00 33.97 C ATOM 1346 CE LYS A 154 17.223 -2.351 33.853 1.00 46.17 C ATOM 1347 NZ LYS A 154 17.699 -1.902 35.191 1.00 56.88 N ATOM 1348 HZ1 LYS A 154 16.996 -2.160 35.912 1.00 0.00 H ATOM 1349 HZ2 LYS A 154 18.606 -2.363 35.408 1.00 0.00 H ATOM 1350 HZ3 LYS A 154 17.827 -0.870 35.184 1.00 0.00 H ATOM 1351 H LYS A 154 14.132 -5.564 31.477 1.00 0.00 H ATOM 1352 N LYS A 155 15.340 -8.624 31.632 1.00 28.36 N ATOM 1353 CA LYS A 155 15.470 -10.075 31.714 1.00 30.17 C ATOM 1354 C LYS A 155 15.487 -10.704 30.330 1.00 31.56 C ATOM 1355 O LYS A 155 16.295 -11.601 30.055 1.00 34.63 O ATOM 1356 CB LYS A 155 14.328 -10.644 32.558 1.00 31.60 C ATOM 1357 CG LYS A 155 14.259 -12.166 32.633 1.00 33.03 C ATOM 1358 CD LYS A 155 13.214 -12.582 33.658 1.00 39.40 C ATOM 1359 CE LYS A 155 13.038 -14.090 33.720 1.00 54.94 C ATOM 1360 NZ LYS A 155 11.941 -14.469 34.649 1.00 55.69 N ATOM 1361 HZ1 LYS A 155 12.162 -14.122 35.604 1.00 0.00 H ATOM 1362 HZ2 LYS A 155 11.049 -14.045 34.322 1.00 0.00 H ATOM 1363 HZ3 LYS A 155 11.847 -15.505 34.668 1.00 0.00 H ATOM 1364 H LYS A 155 14.529 -8.153 32.080 1.00 0.00 H ATOM 1365 N ALA A 156 14.607 -10.247 29.447 1.00 32.80 N ATOM 1366 CA ALA A 156 14.543 -10.758 28.085 1.00 36.20 C ATOM 1367 C ALA A 156 15.589 -10.138 27.169 1.00 35.45 C ATOM 1368 O ALA A 156 15.689 -10.544 26.007 1.00 39.14 O ATOM 1369 CB ALA A 156 13.153 -10.518 27.497 1.00 34.50 C ATOM 1370 H ALA A 156 13.943 -9.501 29.737 1.00 0.00 H ATOM 1371 N GLU A 157 16.371 -9.180 27.661 1.00 31.07 N ATOM 1372 CA GLU A 157 17.396 -8.516 26.860 1.00 35.17 C ATOM 1373 C GLU A 157 16.803 -7.852 25.616 1.00 41.73 C ATOM 1374 O GLU A 157 17.363 -7.941 24.521 1.00 37.40 O ATOM 1375 CB GLU A 157 18.501 -9.499 26.466 1.00 39.19 C ATOM 1376 CG GLU A 157 19.365 -9.946 27.616 1.00 44.00 C ATOM 1377 CD GLU A 157 20.374 -10.997 27.198 1.00 48.71 C ATOM 1378 OE1 GLU A 157 20.077 -12.204 27.330 1.00 56.34 O ATOM 1379 OE2 GLU A 157 21.456 -10.611 26.715 1.00 54.04 O ATOM 1380 H GLU A 157 16.248 -8.893 28.653 1.00 0.00 H ATOM 1381 N ILE A 158 15.671 -7.169 25.780 1.00 28.33 N ATOM 1382 CA ILE A 158 15.016 -6.480 24.674 1.00 30.75 C ATOM 1383 C ILE A 158 15.580 -5.075 24.581 1.00 32.65 C ATOM 1384 O ILE A 158 15.659 -4.362 25.590 1.00 42.47 O ATOM 1385 CB ILE A 158 13.495 -6.440 24.870 1.00 32.72 C ATOM 1386 CG1 ILE A 158 12.918 -7.841 24.752 1.00 39.81 C ATOM 1387 CG2 ILE A 158 12.843 -5.495 23.849 1.00 36.03 C ATOM 1388 CD1 ILE A 158 11.486 -7.957 25.180 1.00 46.28 C ATOM 1389 H ILE A 158 15.241 -7.126 26.726 1.00 0.00 H ATOM 1390 N THR A 159 15.973 -4.673 23.380 1.00 29.35 N ATOM 1391 CA THR A 159 16.389 -3.304 23.139 1.00 35.53 C ATOM 1392 C THR A 159 15.215 -2.490 22.623 1.00 32.27 C ATOM 1393 O THR A 159 14.386 -2.967 21.844 1.00 29.27 O ATOM 1394 CB THR A 159 17.542 -3.235 22.144 1.00 40.63 C ATOM 1395 OG1 THR A 159 17.183 -3.923 20.945 1.00 42.89 O ATOM 1396 CG2 THR A 159 18.796 -3.856 22.744 1.00 46.32 C ATOM 1397 HG1 THR A 159 16.381 -3.498 20.550 1.00 0.00 H ATOM 1398 H THR A 159 15.983 -5.354 22.594 1.00 0.00 H ATOM 1399 N LEU A 160 15.161 -1.250 23.060 1.00 25.35 N ATOM 1400 CA LEU A 160 14.035 -0.375 22.814 1.00 23.92 C ATOM 1401 C LEU A 160 14.550 0.863 22.094 1.00 22.39 C ATOM 1402 O LEU A 160 15.636 1.360 22.409 1.00 28.64 O ATOM 1403 CB LEU A 160 13.380 -0.024 24.151 1.00 24.81 C ATOM 1404 CG LEU A 160 12.020 0.628 24.263 1.00 29.69 C ATOM 1405 CD1 LEU A 160 11.009 -0.019 23.337 1.00 28.92 C ATOM 1406 CD2 LEU A 160 11.577 0.521 25.733 1.00 25.99 C ATOM 1407 H LEU A 160 15.965 -0.882 23.608 1.00 0.00 H ATOM 1408 N GLN A 161 13.805 1.311 21.084 1.00 21.15 N ATOM 1409 CA GLN A 161 14.079 2.568 20.398 1.00 22.34 C ATOM 1410 C GLN A 161 12.782 3.346 20.307 1.00 20.44 C ATOM 1411 O GLN A 161 11.725 2.779 20.020 1.00 21.85 O ATOM 1412 CB GLN A 161 14.626 2.372 18.978 1.00 25.41 C ATOM 1413 CG GLN A 161 16.083 2.012 18.877 1.00 33.93 C ATOM 1414 CD GLN A 161 16.489 1.702 17.446 1.00 31.20 C ATOM 1415 OE1 GLN A 161 15.685 1.211 16.646 1.00 27.52 O ATOM 1416 NE2 GLN A 161 17.729 2.026 17.104 1.00 43.85 N ATOM 1417 HE22 GLN A 161 18.373 2.437 17.810 1.00 0.00 H ATOM 1418 HE21 GLN A 161 18.058 1.869 16.130 1.00 0.00 H ATOM 1419 H GLN A 161 12.994 0.740 20.772 1.00 0.00 H ATOM 1420 N PHE A 162 12.858 4.654 20.543 1.00 18.70 N ATOM 1421 CA PHE A 162 11.700 5.525 20.396 1.00 20.67 C ATOM 1422 C PHE A 162 11.946 6.505 19.265 1.00 21.21 C ATOM 1423 O PHE A 162 13.014 7.114 19.192 1.00 24.01 O ATOM 1424 CB PHE A 162 11.401 6.295 21.687 1.00 20.64 C ATOM 1425 CG PHE A 162 10.773 5.455 22.746 1.00 19.21 C ATOM 1426 CD1 PHE A 162 11.569 4.725 23.627 1.00 24.91 C ATOM 1427 CD2 PHE A 162 9.391 5.369 22.867 1.00 17.96 C ATOM 1428 CE1 PHE A 162 10.996 3.946 24.615 1.00 24.16 C ATOM 1429 CE2 PHE A 162 8.808 4.586 23.842 1.00 22.23 C ATOM 1430 CZ PHE A 162 9.616 3.871 24.728 1.00 21.27 C ATOM 1431 H PHE A 162 13.767 5.064 20.840 1.00 0.00 H ATOM 1432 N PHE A 163 10.948 6.650 18.400 1.00 18.78 N ATOM 1433 CA PHE A 163 10.987 7.578 17.283 1.00 22.57 C ATOM 1434 C PHE A 163 9.806 8.527 17.400 1.00 19.23 C ATOM 1435 O PHE A 163 8.659 8.090 17.516 1.00 17.85 O ATOM 1436 CB PHE A 163 10.954 6.810 15.965 1.00 19.61 C ATOM 1437 CG PHE A 163 12.112 5.857 15.802 1.00 20.49 C ATOM 1438 CD1 PHE A 163 13.346 6.333 15.458 1.00 20.82 C ATOM 1439 CD2 PHE A 163 11.969 4.505 16.029 1.00 24.18 C ATOM 1440 CE1 PHE A 163 14.424 5.499 15.309 1.00 23.85 C ATOM 1441 CE2 PHE A 163 13.058 3.664 15.888 1.00 24.53 C ATOM 1442 CZ PHE A 163 14.281 4.164 15.523 1.00 23.94 C ATOM 1443 H PHE A 163 10.095 6.069 18.529 1.00 0.00 H ATOM 1444 N LEU A 164 10.095 9.822 17.355 1.00 19.64 N ATOM 1445 CA LEU A 164 9.134 10.907 17.535 1.00 18.89 C ATOM 1446 C LEU A 164 9.185 11.856 16.345 1.00 19.15 C ATOM 1447 O LEU A 164 10.245 12.054 15.752 1.00 22.47 O ATOM 1448 CB LEU A 164 9.432 11.692 18.821 1.00 21.63 C ATOM 1449 CG LEU A 164 9.800 10.867 20.068 1.00 25.72 C ATOM 1450 CD1 LEU A 164 10.078 11.825 21.221 1.00 31.18 C ATOM 1451 CD2 LEU A 164 8.715 9.861 20.429 1.00 24.19 C ATOM 1452 H LEU A 164 11.085 10.085 17.177 1.00 0.00 H ATOM 1453 N PRO A 165 8.052 12.496 16.004 1.00 22.76 N ATOM 1454 CA PRO A 165 8.032 13.392 14.838 1.00 23.42 C ATOM 1455 C PRO A 165 8.512 14.781 15.182 1.00 30.49 C ATOM 1456 O PRO A 165 8.026 15.768 14.618 1.00 35.23 O ATOM 1457 CB PRO A 165 6.557 13.393 14.429 1.00 24.12 C ATOM 1458 CG PRO A 165 5.822 13.194 15.704 1.00 23.25 C ATOM 1459 CD PRO A 165 6.707 12.328 16.578 1.00 20.81 C ATOM 1460 N PHE A 166 9.436 14.875 16.129 1.00 24.63 N ATOM 1461 CA PHE A 166 9.999 16.158 16.532 1.00 26.03 C ATOM 1462 C PHE A 166 11.259 15.867 17.333 1.00 32.43 C ATOM 1463 O PHE A 166 11.441 14.772 17.860 1.00 27.25 O ATOM 1464 CB PHE A 166 8.994 17.000 17.338 1.00 30.91 C ATOM 1465 CG PHE A 166 8.297 16.232 18.417 1.00 25.09 C ATOM 1466 CD1 PHE A 166 8.961 15.919 19.586 1.00 25.53 C ATOM 1467 CD2 PHE A 166 6.992 15.795 18.256 1.00 21.25 C ATOM 1468 CE1 PHE A 166 8.348 15.192 20.576 1.00 28.42 C ATOM 1469 CE2 PHE A 166 6.375 15.070 19.251 1.00 25.64 C ATOM 1470 CZ PHE A 166 7.049 14.769 20.412 1.00 31.31 C ATOM 1471 H PHE A 166 9.769 14.008 16.598 1.00 0.00 H ATOM 1472 N SER A 167 12.137 16.858 17.403 1.00 33.36 N ATOM 1473 CA SER A 167 13.342 16.729 18.202 1.00 30.76 C ATOM 1474 C SER A 167 13.035 17.053 19.655 1.00 32.44 C ATOM 1475 O SER A 167 12.138 17.846 19.959 1.00 36.20 O ATOM 1476 CB SER A 167 14.437 17.664 17.688 1.00 39.22 C ATOM 1477 OG SER A 167 15.645 17.453 18.401 1.00 45.56 O ATOM 1478 HG SER A 167 15.939 16.515 18.280 1.00 0.00 H ATOM 1479 H SER A 167 11.960 17.739 16.879 1.00 0.00 H ATOM 1480 N VAL A 168 13.785 16.431 20.560 1.00 34.03 N ATOM 1481 CA VAL A 168 13.609 16.720 21.979 1.00 46.81 C ATOM 1482 C VAL A 168 14.887 17.293 22.578 1.00 57.55 C ATOM 1483 O VAL A 168 15.149 17.128 23.774 1.00 70.23 O ATOM 1484 CB VAL A 168 13.155 15.466 22.740 1.00 47.52 C ATOM 1485 CG1 VAL A 168 11.832 14.969 22.166 1.00 52.73 C ATOM 1486 CG2 VAL A 168 14.218 14.375 22.686 1.00 48.20 C ATOM 1487 H VAL A 168 14.498 15.738 20.256 1.00 0.00 H ATOM 1488 N ASP A 169 15.680 17.979 21.761 1.00 74.32 N ATOM 1489 CA ASP A 169 16.851 18.698 22.259 1.00 84.12 C ATOM 1490 C ASP A 169 16.738 20.178 21.923 1.00 81.07 C ATOM 1491 O ASP A 169 16.135 20.547 20.915 1.00 77.42 O ATOM 1492 CB ASP A 169 18.139 18.125 21.669 1.00 88.73 C ATOM 1493 CG ASP A 169 18.191 16.612 21.739 1.00 88.11 C ATOM 1494 OD1 ASP A 169 18.236 16.067 22.863 1.00 89.62 O ATOM 1495 OD2 ASP A 169 18.196 15.970 20.668 1.00 86.71 O ATOM 1496 H ASP A 169 15.462 18.005 20.744 1.00 0.00 H TER 1497 ASP A 169 ATOM 1498 N GLY A 191 16.830 26.882 18.508 1.00 56.69 N ATOM 1499 CA GLY A 191 15.663 27.001 17.650 1.00 50.61 C ATOM 1500 C GLY A 191 14.373 27.200 18.425 1.00 46.91 C ATOM 1501 O GLY A 191 14.362 27.122 19.652 1.00 47.27 O ATOM 1502 HN3 GLY A 191 16.712 26.065 19.140 1.00 0.00 H ATOM 1503 HN2 GLY A 191 16.932 27.748 19.074 1.00 0.00 H ATOM 1504 HN1 GLY A 191 17.678 26.748 17.921 1.00 0.00 H ATOM 1505 N PRO A 192 13.281 27.456 17.711 1.00 41.06 N ATOM 1506 CA PRO A 192 11.995 27.671 18.383 1.00 42.11 C ATOM 1507 C PRO A 192 11.475 26.413 19.063 1.00 37.63 C ATOM 1508 O PRO A 192 11.717 25.284 18.628 1.00 34.03 O ATOM 1509 CB PRO A 192 11.065 28.094 17.240 1.00 35.14 C ATOM 1510 CG PRO A 192 11.686 27.500 16.011 1.00 36.93 C ATOM 1511 CD PRO A 192 13.169 27.578 16.249 1.00 39.59 C ATOM 1512 N GLY A 193 10.738 26.624 20.149 1.00 28.00 N ATOM 1513 CA GLY A 193 9.927 25.563 20.704 1.00 28.53 C ATOM 1514 C GLY A 193 8.838 25.139 19.743 1.00 23.57 C ATOM 1515 O GLY A 193 8.427 25.892 18.856 1.00 23.91 O ATOM 1516 H GLY A 193 10.745 27.560 20.603 1.00 0.00 H ATOM 1517 N LYS A 194 8.371 23.901 19.915 1.00 28.13 N ATOM 1518 CA LYS A 194 7.497 23.281 18.932 1.00 22.88 C ATOM 1519 C LYS A 194 6.063 23.129 19.419 1.00 20.30 C ATOM 1520 O LYS A 194 5.292 22.368 18.831 1.00 20.61 O ATOM 1521 CB LYS A 194 8.070 21.926 18.519 1.00 28.28 C ATOM 1522 CG LYS A 194 9.425 22.035 17.831 1.00 39.95 C ATOM 1523 H LYS A 194 8.637 23.369 20.768 1.00 0.00 H ATOM 1524 N GLY A 195 5.672 23.865 20.455 1.00 20.21 N ATOM 1525 CA GLY A 195 4.302 23.770 20.924 1.00 20.40 C ATOM 1526 C GLY A 195 3.906 22.400 21.443 1.00 18.62 C ATOM 1527 O GLY A 195 2.770 21.968 21.221 1.00 20.25 O ATOM 1528 H GLY A 195 6.343 24.504 20.926 1.00 0.00 H ATOM 1529 N LEU A 196 4.790 21.727 22.171 1.00 18.20 N ATOM 1530 CA LEU A 196 4.447 20.413 22.710 1.00 18.62 C ATOM 1531 C LEU A 196 3.517 20.565 23.907 1.00 19.90 C ATOM 1532 O LEU A 196 3.684 21.473 24.732 1.00 20.65 O ATOM 1533 CB LEU A 196 5.704 19.655 23.118 1.00 21.39 C ATOM 1534 CG LEU A 196 6.752 19.476 22.027 1.00 20.47 C ATOM 1535 CD1 LEU A 196 7.965 18.787 22.606 1.00 26.12 C ATOM 1536 CD2 LEU A 196 6.170 18.692 20.843 1.00 25.20 C ATOM 1537 H LEU A 196 5.728 22.136 22.358 1.00 0.00 H ATOM 1538 N SER A 197 2.512 19.697 23.988 1.00 19.87 N ATOM 1539 CA SER A 197 1.601 19.732 25.128 1.00 19.45 C ATOM 1540 C SER A 197 2.293 19.206 26.383 1.00 19.77 C ATOM 1541 O SER A 197 3.359 18.575 26.329 1.00 20.37 O ATOM 1542 CB SER A 197 0.353 18.906 24.843 1.00 22.13 C ATOM 1543 OG SER A 197 0.699 17.525 24.846 1.00 22.10 O ATOM 1544 HG SER A 197 -0.109 16.983 24.661 1.00 0.00 H ATOM 1545 H SER A 197 2.375 18.991 23.237 1.00 0.00 H ATOM 1546 N ASP A 198 1.676 19.497 27.534 1.00 23.53 N ATOM 1547 CA ASP A 198 2.170 18.944 28.791 1.00 23.76 C ATOM 1548 C ASP A 198 2.196 17.422 28.734 1.00 22.69 C ATOM 1549 O ASP A 198 3.150 16.801 29.203 1.00 22.49 O ATOM 1550 CB ASP A 198 1.313 19.418 29.972 1.00 25.05 C ATOM 1551 CG ASP A 198 1.526 20.872 30.319 1.00 37.18 C ATOM 1552 OD1 ASP A 198 2.402 21.528 29.711 1.00 29.45 O ATOM 1553 OD2 ASP A 198 0.810 21.339 31.228 1.00 32.69 O ATOM 1554 H ASP A 198 0.842 20.119 27.533 1.00 0.00 H ATOM 1555 N GLN A 199 1.189 16.813 28.101 1.00 22.86 N ATOM 1556 CA GLN A 199 1.172 15.357 27.989 1.00 21.20 C ATOM 1557 C GLN A 199 2.353 14.858 27.167 1.00 20.41 C ATOM 1558 O GLN A 199 2.978 13.846 27.513 1.00 20.06 O ATOM 1559 CB GLN A 199 -0.148 14.891 27.379 1.00 20.88 C ATOM 1560 CG GLN A 199 -0.246 13.376 27.236 1.00 20.86 C ATOM 1561 CD GLN A 199 -0.171 12.680 28.561 1.00 23.97 C ATOM 1562 OE1 GLN A 199 0.790 11.969 28.857 1.00 25.27 O ATOM 1563 NE2 GLN A 199 -1.190 12.867 29.374 1.00 24.43 N ATOM 1564 HE22 GLN A 199 -1.982 13.476 29.084 1.00 0.00 H ATOM 1565 HE21 GLN A 199 -1.203 12.406 30.306 1.00 0.00 H ATOM 1566 H GLN A 199 0.418 17.376 27.688 1.00 0.00 H ATOM 1567 N GLN A 200 2.677 15.547 26.069 1.00 20.30 N ATOM 1568 CA GLN A 200 3.832 15.151 25.274 1.00 19.86 C ATOM 1569 C GLN A 200 5.121 15.314 26.074 1.00 20.33 C ATOM 1570 O GLN A 200 6.005 14.449 26.029 1.00 20.10 O ATOM 1571 CB GLN A 200 3.882 15.971 23.991 1.00 19.93 C ATOM 1572 CG GLN A 200 2.815 15.604 22.982 1.00 19.49 C ATOM 1573 CD GLN A 200 2.859 16.491 21.753 1.00 19.76 C ATOM 1574 OE1 GLN A 200 2.641 17.707 21.841 1.00 20.43 O ATOM 1575 NE2 GLN A 200 3.135 15.895 20.596 1.00 19.49 N ATOM 1576 HE22 GLN A 200 3.312 14.871 20.568 1.00 0.00 H ATOM 1577 HE21 GLN A 200 3.174 16.454 19.720 1.00 0.00 H ATOM 1578 H GLN A 200 2.104 16.366 25.782 1.00 0.00 H ATOM 1579 N LYS A 201 5.227 16.388 26.851 1.00 21.17 N ATOM 1580 CA LYS A 201 6.421 16.579 27.659 1.00 21.80 C ATOM 1581 C LYS A 201 6.520 15.506 28.728 1.00 21.85 C ATOM 1582 O LYS A 201 7.619 15.023 29.019 1.00 22.02 O ATOM 1583 CB LYS A 201 6.419 17.972 28.278 1.00 22.87 C ATOM 1584 CG LYS A 201 6.552 19.076 27.253 1.00 23.11 C ATOM 1585 CD LYS A 201 6.437 20.429 27.935 1.00 24.32 C ATOM 1586 CE LYS A 201 6.558 21.550 26.937 1.00 27.75 C ATOM 1587 NZ LYS A 201 6.402 22.916 27.573 1.00 29.37 N ATOM 1588 HZ1 LYS A 201 5.465 22.985 28.019 1.00 0.00 H ATOM 1589 HZ2 LYS A 201 7.140 23.048 28.293 1.00 0.00 H ATOM 1590 HZ3 LYS A 201 6.494 23.650 26.842 1.00 0.00 H ATOM 1591 H LYS A 201 4.459 17.089 26.881 1.00 0.00 H ATOM 1592 N GLU A 202 5.382 15.110 29.310 1.00 21.69 N ATOM 1593 CA GLU A 202 5.383 14.002 30.267 1.00 21.78 C ATOM 1594 C GLU A 202 5.792 12.700 29.605 1.00 21.44 C ATOM 1595 O GLU A 202 6.513 11.889 30.209 1.00 21.03 O ATOM 1596 CB GLU A 202 4.004 13.859 30.908 1.00 23.23 C ATOM 1597 CG GLU A 202 3.693 15.008 31.871 1.00 27.43 C ATOM 1598 CD GLU A 202 2.219 15.128 32.233 1.00 48.59 C ATOM 1599 OE1 GLU A 202 1.480 14.129 32.114 1.00 51.49 O ATOM 1600 OE2 GLU A 202 1.802 16.236 32.638 1.00 51.29 O ATOM 1601 H GLU A 202 4.490 15.593 29.081 1.00 0.00 H ATOM 1602 N GLY A 203 5.321 12.469 28.375 1.00 20.08 N ATOM 1603 CA GLY A 203 5.716 11.270 27.654 1.00 19.87 C ATOM 1604 C GLY A 203 7.199 11.257 27.354 1.00 19.76 C ATOM 1605 O GLY A 203 7.864 10.230 27.505 1.00 20.37 O ATOM 1606 H GLY A 203 4.670 13.149 27.933 1.00 0.00 H ATOM 1607 N ILE A 204 7.738 12.403 26.939 1.00 20.14 N ATOM 1608 CA ILE A 204 9.170 12.512 26.672 1.00 20.67 C ATOM 1609 C ILE A 204 9.975 12.174 27.919 1.00 22.29 C ATOM 1610 O ILE A 204 10.967 11.436 27.863 1.00 21.90 O ATOM 1611 CB ILE A 204 9.512 13.927 26.165 1.00 21.15 C ATOM 1612 CG1 ILE A 204 8.948 14.121 24.767 1.00 23.69 C ATOM 1613 CG2 ILE A 204 11.017 14.122 26.156 1.00 24.48 C ATOM 1614 CD1 ILE A 204 8.894 15.573 24.319 1.00 24.32 C ATOM 1615 H ILE A 204 7.128 13.234 26.803 1.00 0.00 H ATOM 1616 N GLU A 205 9.584 12.749 29.057 1.00 21.78 N ATOM 1617 CA GLU A 205 10.284 12.469 30.308 1.00 22.59 C ATOM 1618 C GLU A 205 10.184 10.992 30.684 1.00 22.32 C ATOM 1619 O GLU A 205 11.160 10.394 31.160 1.00 23.39 O ATOM 1620 CB GLU A 205 9.722 13.356 31.419 1.00 25.03 C ATOM 1621 CG GLU A 205 10.299 13.086 32.779 1.00 28.90 C ATOM 1622 CD GLU A 205 11.808 13.222 32.833 1.00 43.69 C ATOM 1623 OE1 GLU A 205 12.378 13.977 32.012 1.00 40.20 O ATOM 1624 OE2 GLU A 205 12.424 12.574 33.712 1.00 42.75 O ATOM 1625 H GLU A 205 8.774 13.402 29.054 1.00 0.00 H ATOM 1626 N MET A 206 9.019 10.376 30.477 1.00 21.54 N ATOM 1627 CA MET A 206 8.884 8.964 30.803 1.00 23.72 C ATOM 1628 C MET A 206 9.752 8.098 29.893 1.00 22.07 C ATOM 1629 O MET A 206 10.373 7.129 30.355 1.00 22.02 O ATOM 1630 CB MET A 206 7.420 8.530 30.719 1.00 24.01 C ATOM 1631 CG MET A 206 7.150 7.169 31.427 1.00 31.31 C ATOM 1632 SD MET A 206 7.722 7.080 33.155 1.00 34.90 S ATOM 1633 CE MET A 206 6.939 8.514 33.901 1.00 43.44 C ATOM 1634 H MET A 206 8.212 10.902 30.085 1.00 0.00 H ATOM 1635 N VAL A 207 9.787 8.418 28.599 1.00 23.81 N ATOM 1636 CA VAL A 207 10.706 7.753 27.680 1.00 20.95 C ATOM 1637 C VAL A 207 12.136 7.867 28.181 1.00 22.04 C ATOM 1638 O VAL A 207 12.885 6.884 28.197 1.00 22.99 O ATOM 1639 CB VAL A 207 10.555 8.343 26.266 1.00 22.02 C ATOM 1640 CG1 VAL A 207 11.749 7.992 25.389 1.00 24.76 C ATOM 1641 CG2 VAL A 207 9.257 7.846 25.663 1.00 24.05 C ATOM 1642 H VAL A 207 9.148 9.155 28.238 1.00 0.00 H ATOM 1643 N ARG A 208 12.534 9.067 28.615 1.00 23.45 N ATOM 1644 CA ARG A 208 13.878 9.249 29.153 1.00 23.89 C ATOM 1645 C ARG A 208 14.093 8.402 30.403 1.00 24.32 C ATOM 1646 O ARG A 208 15.156 7.794 30.573 1.00 25.21 O ATOM 1647 CB ARG A 208 14.128 10.727 29.455 1.00 24.22 C ATOM 1648 CG ARG A 208 14.311 11.590 28.217 1.00 28.29 C ATOM 1649 CD ARG A 208 14.901 12.950 28.575 1.00 32.61 C ATOM 1650 NE ARG A 208 15.295 13.715 27.390 1.00 51.52 N ATOM 1651 CZ ARG A 208 14.712 14.836 26.967 1.00 71.41 C ATOM 1652 NH1 ARG A 208 13.689 15.374 27.622 1.00 69.35 N ATOM 1653 NH2 ARG A 208 15.166 15.433 25.873 1.00 83.92 N ATOM 1654 HE ARG A 208 16.095 13.354 26.833 1.00 0.00 H ATOM 1655 HH12 ARG A 208 13.250 16.250 27.272 1.00 0.00 H ATOM 1656 HH11 ARG A 208 13.327 14.919 28.484 1.00 0.00 H ATOM 1657 HH22 ARG A 208 14.718 16.308 25.534 1.00 0.00 H ATOM 1658 HH21 ARG A 208 15.970 15.026 25.354 1.00 0.00 H ATOM 1659 H ARG A 208 11.882 9.876 28.569 1.00 0.00 H ATOM 1660 N LYS A 209 13.094 8.342 31.286 1.00 23.91 N ATOM 1661 CA LYS A 209 13.220 7.519 32.484 1.00 24.55 C ATOM 1662 C LYS A 209 13.386 6.047 32.119 1.00 24.44 C ATOM 1663 O LYS A 209 14.194 5.336 32.728 1.00 25.75 O ATOM 1664 CB LYS A 209 11.999 7.719 33.384 1.00 26.79 C ATOM 1665 CG LYS A 209 11.904 9.104 34.030 1.00 31.59 C ATOM 1666 CD LYS A 209 10.724 9.187 35.001 1.00 43.10 C ATOM 1667 CE LYS A 209 10.849 10.360 35.974 1.00 56.17 C ATOM 1668 NZ LYS A 209 9.907 11.474 35.704 1.00 52.31 N ATOM 1669 HZ1 LYS A 209 10.079 11.848 34.749 1.00 0.00 H ATOM 1670 HZ2 LYS A 209 8.930 11.124 35.770 1.00 0.00 H ATOM 1671 HZ3 LYS A 209 10.054 12.228 36.405 1.00 0.00 H ATOM 1672 H LYS A 209 12.222 8.884 31.119 1.00 0.00 H ATOM 1673 N ILE A 210 12.632 5.577 31.124 1.00 23.43 N ATOM 1674 CA ILE A 210 12.713 4.174 30.724 1.00 23.43 C ATOM 1675 C ILE A 210 14.074 3.874 30.107 1.00 24.34 C ATOM 1676 O ILE A 210 14.733 2.891 30.466 1.00 25.22 O ATOM 1677 CB ILE A 210 11.563 3.834 29.758 1.00 22.98 C ATOM 1678 CG1 ILE A 210 10.223 3.916 30.493 1.00 23.46 C ATOM 1679 CG2 ILE A 210 11.752 2.449 29.145 1.00 23.98 C ATOM 1680 CD1 ILE A 210 9.017 3.908 29.585 1.00 23.85 C ATOM 1681 H ILE A 210 11.979 6.216 30.627 1.00 0.00 H ATOM 1682 N MET A 211 14.513 4.709 29.163 1.00 24.33 N ATOM 1683 CA MET A 211 15.776 4.431 28.487 1.00 25.41 C ATOM 1684 C MET A 211 16.953 4.557 29.439 1.00 26.82 C ATOM 1685 O MET A 211 17.919 3.790 29.349 1.00 29.12 O ATOM 1686 CB MET A 211 15.948 5.360 27.294 1.00 25.24 C ATOM 1687 CG MET A 211 14.884 5.223 26.245 1.00 24.10 C ATOM 1688 SD MET A 211 14.692 3.557 25.582 1.00 25.11 S ATOM 1689 CE MET A 211 16.385 3.070 25.264 1.00 39.52 C ATOM 1690 H MET A 211 13.959 5.552 28.911 1.00 0.00 H ATOM 1691 N PHE A 212 16.901 5.507 30.367 1.00 27.23 N ATOM 1692 CA PHE A 212 17.956 5.578 31.365 1.00 30.75 C ATOM 1693 C PHE A 212 17.949 4.344 32.258 1.00 30.31 C ATOM 1694 O PHE A 212 19.011 3.826 32.616 1.00 32.65 O ATOM 1695 CB PHE A 212 17.810 6.834 32.210 1.00 32.45 C ATOM 1696 CG PHE A 212 18.955 7.044 33.148 1.00 40.09 C ATOM 1697 CD1 PHE A 212 20.121 7.649 32.711 1.00 55.85 C ATOM 1698 CD2 PHE A 212 18.875 6.610 34.453 1.00 39.64 C ATOM 1699 CE1 PHE A 212 21.188 7.829 33.569 1.00 68.73 C ATOM 1700 CE2 PHE A 212 19.938 6.784 35.322 1.00 60.97 C ATOM 1701 CZ PHE A 212 21.095 7.399 34.879 1.00 71.34 C ATOM 1702 H PHE A 212 16.117 6.190 30.379 1.00 0.00 H ATOM 1703 N SER A 213 16.759 3.864 32.630 1.00 28.16 N ATOM 1704 CA SER A 213 16.662 2.648 33.429 1.00 28.35 C ATOM 1705 C SER A 213 17.288 1.457 32.710 1.00 28.96 C ATOM 1706 O SER A 213 17.890 0.588 33.348 1.00 34.39 O ATOM 1707 CB SER A 213 15.201 2.342 33.766 1.00 32.11 C ATOM 1708 OG SER A 213 14.646 3.327 34.612 1.00 33.83 O ATOM 1709 HG SER A 213 14.686 4.208 34.162 1.00 0.00 H ATOM 1710 H SER A 213 15.892 4.363 32.346 1.00 0.00 H ATOM 1711 N LEU A 214 17.160 1.402 31.383 1.00 31.20 N ATOM 1712 CA LEU A 214 17.682 0.264 30.633 1.00 31.46 C ATOM 1713 C LEU A 214 19.177 0.397 30.357 1.00 30.75 C ATOM 1714 O LEU A 214 19.918 -0.588 30.480 1.00 38.09 O ATOM 1715 CB LEU A 214 16.910 0.106 29.317 1.00 29.85 C ATOM 1716 CG LEU A 214 15.416 -0.204 29.443 1.00 28.09 C ATOM 1717 CD1 LEU A 214 14.709 -0.097 28.099 1.00 33.84 C ATOM 1718 CD2 LEU A 214 15.203 -1.581 30.041 1.00 32.10 C ATOM 1719 H LEU A 214 16.684 2.177 30.879 1.00 0.00 H ATOM 1720 N ASP A 215 19.644 1.596 29.987 1.00 36.28 N ATOM 1721 CA ASP A 215 20.991 1.740 29.446 1.00 41.18 C ATOM 1722 C ASP A 215 21.720 2.980 29.957 1.00 44.31 C ATOM 1723 O ASP A 215 22.713 3.394 29.345 1.00 48.41 O ATOM 1724 CB ASP A 215 20.945 1.780 27.913 1.00 54.68 C ATOM 1725 H ASP A 215 19.038 2.436 30.087 1.00 0.00 H ATOM 1726 N GLY A 216 21.271 3.578 31.059 1.00 40.63 N ATOM 1727 CA GLY A 216 22.002 4.701 31.631 1.00 42.93 C ATOM 1728 C GLY A 216 21.987 5.901 30.702 1.00 47.30 C ATOM 1729 O GLY A 216 21.001 6.166 30.005 1.00 51.13 O ATOM 1730 H GLY A 216 20.397 3.243 31.512 1.00 0.00 H ATOM 1731 N GLU A 217 23.095 6.647 30.690 1.00 53.94 N ATOM 1732 CA GLU A 217 23.206 7.788 29.785 1.00 52.46 C ATOM 1733 C GLU A 217 23.140 7.339 28.329 1.00 52.41 C ATOM 1734 O GLU A 217 22.412 7.924 27.518 1.00 52.33 O ATOM 1735 CB GLU A 217 24.504 8.550 30.058 1.00 59.12 C ATOM 1736 H GLU A 217 23.882 6.414 31.328 1.00 0.00 H ATOM 1737 N GLU A 218 23.871 6.275 27.984 1.00 67.82 N ATOM 1738 CA GLU A 218 23.868 5.789 26.607 1.00 79.75 C ATOM 1739 C GLU A 218 22.461 5.439 26.132 1.00 85.87 C ATOM 1740 O GLU A 218 22.187 5.468 24.927 1.00 83.10 O ATOM 1741 CB GLU A 218 24.786 4.570 26.484 1.00 82.32 C ATOM 1742 H GLU A 218 24.446 5.789 28.701 1.00 0.00 H ATOM 1743 N GLY A 219 21.557 5.111 27.056 1.00 86.30 N ATOM 1744 CA GLY A 219 20.209 4.741 26.658 1.00 80.58 C ATOM 1745 C GLY A 219 19.400 5.920 26.150 1.00 72.68 C ATOM 1746 O GLY A 219 18.614 5.784 25.205 1.00 62.43 O ATOM 1747 H GLY A 219 21.817 5.120 28.063 1.00 0.00 H ATOM 1748 N LEU A 220 19.577 7.094 26.767 1.00 60.87 N ATOM 1749 CA LEU A 220 18.901 8.292 26.280 1.00 52.70 C ATOM 1750 C LEU A 220 19.222 8.560 24.815 1.00 47.35 C ATOM 1751 O LEU A 220 18.404 9.144 24.100 1.00 38.35 O ATOM 1752 CB LEU A 220 19.289 9.505 27.130 1.00 54.47 C ATOM 1753 CG LEU A 220 19.011 9.393 28.628 1.00 45.58 C ATOM 1754 CD1 LEU A 220 19.437 10.658 29.347 1.00 45.59 C ATOM 1755 CD2 LEU A 220 17.542 9.119 28.870 1.00 53.73 C ATOM 1756 H LEU A 220 20.200 7.153 27.598 1.00 0.00 H ATOM 1757 N SER A 221 20.398 8.139 24.347 1.00 54.35 N ATOM 1758 CA SER A 221 20.761 8.339 22.949 1.00 62.09 C ATOM 1759 C SER A 221 19.919 7.500 21.996 1.00 72.81 C ATOM 1760 O SER A 221 20.028 7.687 20.778 1.00 77.76 O ATOM 1761 CB SER A 221 22.247 8.023 22.744 1.00 51.69 C ATOM 1762 H SER A 221 21.064 7.662 24.987 1.00 0.00 H ATOM 1763 N GLU A 222 19.086 6.591 22.510 1.00 65.52 N ATOM 1764 CA GLU A 222 18.221 5.763 21.679 1.00 64.71 C ATOM 1765 C GLU A 222 16.882 6.434 21.364 1.00 58.92 C ATOM 1766 O GLU A 222 15.928 5.739 20.988 1.00 43.71 O ATOM 1767 CB GLU A 222 17.984 4.407 22.353 1.00 63.40 C ATOM 1768 H GLU A 222 19.053 6.469 23.542 1.00 0.00 H ATOM 1769 N VAL A 223 16.794 7.759 21.505 1.00 47.63 N ATOM 1770 CA VAL A 223 15.568 8.518 21.255 1.00 41.31 C ATOM 1771 C VAL A 223 15.787 9.429 20.057 1.00 36.58 C ATOM 1772 O VAL A 223 16.589 10.373 20.114 1.00 35.61 O ATOM 1773 CB VAL A 223 15.151 9.335 22.481 1.00 34.09 C ATOM 1774 CG1 VAL A 223 13.908 10.166 22.166 1.00 33.41 C ATOM 1775 CG2 VAL A 223 14.916 8.388 23.662 1.00 36.97 C ATOM 1776 H VAL A 223 17.642 8.279 21.809 1.00 0.00 H ATOM 1777 N PHE A 224 15.020 9.192 19.002 1.00 24.91 N ATOM 1778 CA PHE A 224 15.315 9.731 17.691 1.00 25.72 C ATOM 1779 C PHE A 224 14.078 10.370 17.086 1.00 24.73 C ATOM 1780 O PHE A 224 12.969 10.303 17.621 1.00 23.46 O ATOM 1781 CB PHE A 224 15.821 8.640 16.734 1.00 37.00 C ATOM 1782 CG PHE A 224 17.071 7.954 17.189 1.00 61.07 C ATOM 1783 CD1 PHE A 224 18.321 8.452 16.849 1.00 84.65 C ATOM 1784 CD2 PHE A 224 16.996 6.792 17.934 1.00 60.91 C ATOM 1785 CE1 PHE A 224 19.479 7.806 17.260 1.00 96.01 C ATOM 1786 CE2 PHE A 224 18.147 6.142 18.343 1.00 73.18 C ATOM 1787 CZ PHE A 224 19.389 6.651 18.009 1.00 88.53 C ATOM 1788 H PHE A 224 14.175 8.597 19.120 1.00 0.00 H ATOM 1789 N THR A 225 14.296 10.990 15.943 1.00 29.59 N ATOM 1790 CA THR A 225 13.238 11.640 15.194 1.00 26.62 C ATOM 1791 C THR A 225 12.774 10.735 14.068 1.00 25.13 C ATOM 1792 O THR A 225 13.477 9.809 13.651 1.00 29.12 O ATOM 1793 CB THR A 225 13.718 12.956 14.599 1.00 27.13 C ATOM 1794 OG1 THR A 225 14.731 12.684 13.621 1.00 31.48 O ATOM 1795 CG2 THR A 225 14.276 13.848 15.700 1.00 29.80 C ATOM 1796 HG1 THR A 225 15.048 13.536 13.230 1.00 0.00 H ATOM 1797 H THR A 225 15.264 11.014 15.564 1.00 0.00 H ATOM 1798 N PHE A 226 11.568 11.013 13.578 1.00 25.31 N ATOM 1799 CA PHE A 226 11.112 10.334 12.374 1.00 24.79 C ATOM 1800 C PHE A 226 12.116 10.532 11.241 1.00 28.07 C ATOM 1801 O PHE A 226 12.402 9.596 10.486 1.00 30.13 O ATOM 1802 CB PHE A 226 9.732 10.852 11.956 1.00 25.57 C ATOM 1803 CG PHE A 226 8.588 10.290 12.745 1.00 23.08 C ATOM 1804 CD1 PHE A 226 8.788 9.617 13.948 1.00 22.43 C ATOM 1805 CD2 PHE A 226 7.301 10.407 12.266 1.00 23.22 C ATOM 1806 CE1 PHE A 226 7.713 9.091 14.641 1.00 23.99 C ATOM 1807 CE2 PHE A 226 6.232 9.877 12.953 1.00 23.23 C ATOM 1808 CZ PHE A 226 6.438 9.218 14.144 1.00 21.21 C ATOM 1809 H PHE A 226 10.957 11.709 14.051 1.00 0.00 H ATOM 1810 N ARG A 227 12.691 11.735 11.139 1.00 30.07 N ATOM 1811 CA ARG A 227 13.628 12.029 10.059 1.00 32.62 C ATOM 1812 C ARG A 227 14.823 11.083 10.075 1.00 30.34 C ATOM 1813 O ARG A 227 15.356 10.740 9.014 1.00 32.00 O ATOM 1814 CB ARG A 227 14.086 13.487 10.158 1.00 29.51 C ATOM 1815 CG ARG A 227 15.036 13.931 9.052 1.00 44.29 C ATOM 1816 CD ARG A 227 15.350 15.420 9.148 1.00 46.50 C ATOM 1817 H ARG A 227 12.468 12.471 11.839 1.00 0.00 H ATOM 1818 N ASP A 228 15.245 10.632 11.251 1.00 31.22 N ATOM 1819 CA ASP A 228 16.404 9.760 11.366 1.00 37.24 C ATOM 1820 C ASP A 228 16.033 8.288 11.514 1.00 30.78 C ATOM 1821 O ASP A 228 16.930 7.442 11.603 1.00 32.48 O ATOM 1822 CB ASP A 228 17.265 10.202 12.558 1.00 41.08 C ATOM 1823 CG ASP A 228 17.873 11.583 12.364 1.00 50.52 C ATOM 1824 OD1 ASP A 228 18.072 11.996 11.202 1.00 43.36 O ATOM 1825 OD2 ASP A 228 18.166 12.253 13.376 1.00 54.51 O ATOM 1826 H ASP A 228 14.733 10.910 12.113 1.00 0.00 H ATOM 1827 N SER A 229 14.740 7.957 11.507 1.00 29.30 N ATOM 1828 CA SER A 229 14.310 6.649 11.998 1.00 28.65 C ATOM 1829 C SER A 229 14.688 5.521 11.045 1.00 30.35 C ATOM 1830 O SER A 229 15.103 4.447 11.491 1.00 30.65 O ATOM 1831 CB SER A 229 12.800 6.647 12.255 1.00 28.01 C ATOM 1832 OG SER A 229 12.053 6.974 11.093 1.00 29.99 O ATOM 1833 HG SER A 229 12.309 7.878 10.781 1.00 0.00 H ATOM 1834 H SER A 229 14.035 8.633 11.150 1.00 0.00 H ATOM 1835 N LEU A 230 14.545 5.734 9.736 1.00 31.24 N ATOM 1836 CA LEU A 230 14.789 4.645 8.793 1.00 32.87 C ATOM 1837 C LEU A 230 16.207 4.110 8.928 1.00 34.76 C ATOM 1838 O LEU A 230 16.423 2.892 8.946 1.00 35.56 O ATOM 1839 CB LEU A 230 14.525 5.116 7.366 1.00 33.97 C ATOM 1840 CG LEU A 230 14.762 4.084 6.268 1.00 35.99 C ATOM 1841 CD1 LEU A 230 13.875 2.856 6.450 1.00 37.02 C ATOM 1842 CD2 LEU A 230 14.525 4.720 4.909 1.00 38.65 C ATOM 1843 H LEU A 230 14.261 6.672 9.388 1.00 0.00 H ATOM 1844 N GLU A 231 17.189 5.000 9.043 1.00 35.64 N ATOM 1845 CA GLU A 231 18.563 4.543 9.172 1.00 37.66 C ATOM 1846 C GLU A 231 18.862 3.979 10.558 1.00 36.86 C ATOM 1847 O GLU A 231 19.660 3.042 10.674 1.00 39.60 O ATOM 1848 CB GLU A 231 19.521 5.683 8.832 1.00 44.32 C ATOM 1849 CG GLU A 231 19.334 6.237 7.414 1.00 52.39 C ATOM 1850 CD GLU A 231 19.511 5.195 6.295 1.00 56.00 C ATOM 1851 OE1 GLU A 231 19.968 4.058 6.560 1.00 53.70 O ATOM 1852 OE2 GLU A 231 19.188 5.527 5.133 1.00 49.34 O ATOM 1853 H GLU A 231 16.975 6.018 9.041 1.00 0.00 H ATOM 1854 N ARG A 232 18.232 4.506 11.613 1.00 34.67 N ATOM 1855 CA ARG A 232 18.491 3.976 12.950 1.00 36.41 C ATOM 1856 C ARG A 232 17.902 2.581 13.123 1.00 37.91 C ATOM 1857 O ARG A 232 18.467 1.761 13.856 1.00 41.87 O ATOM 1858 CB ARG A 232 17.936 4.920 14.020 1.00 34.81 C ATOM 1859 H ARG A 232 17.561 5.290 11.483 1.00 0.00 H ATOM 1860 N LEU A 233 16.772 2.295 12.469 1.00 33.37 N ATOM 1861 CA LEU A 233 16.235 0.936 12.478 1.00 37.14 C ATOM 1862 C LEU A 233 17.244 -0.054 11.923 1.00 54.10 C ATOM 1863 O LEU A 233 17.512 -1.092 12.535 1.00 62.22 O ATOM 1864 CB LEU A 233 14.952 0.862 11.658 1.00 40.60 C ATOM 1865 CG LEU A 233 13.676 1.381 12.305 1.00 34.53 C ATOM 1866 CD1 LEU A 233 12.553 1.338 11.291 1.00 32.11 C ATOM 1867 CD2 LEU A 233 13.319 0.546 13.534 1.00 35.68 C ATOM 1868 H LEU A 233 16.272 3.045 11.950 1.00 0.00 H ATOM 1869 N SER A 234 17.791 0.243 10.744 1.00 63.76 N ATOM 1870 CA SER A 234 18.718 -0.649 10.059 1.00 70.56 C ATOM 1871 C SER A 234 20.066 -0.760 10.761 1.00 80.14 C ATOM 1872 O SER A 234 20.951 -1.451 10.245 1.00 88.34 O ATOM 1873 CB SER A 234 18.918 -0.172 8.617 1.00 72.43 C ATOM 1874 OG SER A 234 17.679 -0.050 7.929 1.00 57.77 O ATOM 1875 HG SER A 234 17.227 -0.930 7.908 1.00 0.00 H ATOM 1876 H SER A 234 17.546 1.148 10.295 1.00 0.00 H ATOM 1877 N ILE A 235 20.251 -0.101 11.902 1.00 81.71 N ATOM 1878 CA ILE A 235 21.463 -0.262 12.696 1.00 86.49 C ATOM 1879 C ILE A 235 21.152 -1.142 13.900 1.00 93.13 C ATOM 1880 O ILE A 235 21.823 -2.148 14.137 1.00 99.67 O ATOM 1881 CB ILE A 235 22.041 1.105 13.127 1.00 82.61 C ATOM 1882 CG1 ILE A 235 22.722 1.783 11.931 1.00 75.28 C ATOM 1883 CG2 ILE A 235 23.024 0.941 14.291 1.00 87.91 C ATOM 1884 CD1 ILE A 235 23.328 3.146 12.224 1.00 69.35 C ATOM 1885 H ILE A 235 19.510 0.547 12.237 1.00 0.00 H TER 1886 ILE A 235 HETATM 1887 O HOH 1 1.679 17.504 8.190 1.00 16.12 O HETATM 1888 O HOH 2 4.024 9.782 2.700 1.00 53.86 O HETATM 1889 O HOH 3 9.224 -10.238 25.690 1.00 38.95 O HETATM 1890 O HOH 4 -0.734 -9.153 8.631 1.00 38.22 O HETATM 1891 O HOH 5 -0.008 6.696 25.490 1.00 20.68 O HETATM 1892 O HOH 6 1.541 11.646 31.752 1.00 36.44 O HETATM 1893 O HOH 7 17.136 -3.918 27.611 1.00 48.00 O HETATM 1894 O HOH 8 -5.813 -0.019 27.863 1.00 29.90 O HETATM 1895 O HOH 9 1.070 14.982 16.455 1.00 25.73 O HETATM 1896 O HOH 10 8.080 -20.813 19.398 1.00 48.65 O HETATM 1897 O HOH 11 -8.361 -4.723 15.656 1.00 29.42 O HETATM 1898 O HOH 12 -3.379 14.200 29.204 1.00 40.89 O HETATM 1899 O HOH 13 14.155 -16.058 9.551 1.00 39.59 O HETATM 1900 O HOH 14 17.977 -7.384 22.071 1.00 41.20 O HETATM 1901 O HOH 15 4.127 23.379 30.254 1.00 46.11 O HETATM 1902 O HOH 16 -0.397 19.800 32.924 1.00 53.30 O HETATM 1903 O HOH 17 0.384 8.899 21.905 1.00 29.15 O HETATM 1904 O HOH 18 8.746 14.447 11.636 1.00 33.22 O HETATM 1905 O HOH 19 -0.185 23.750 31.244 1.00 31.20 O HETATM 1906 O HOH 20 -5.643 -11.163 14.373 1.00 41.37 O HETATM 1907 O HOH 21 1.089 18.836 20.067 1.00 24.35 O HETATM 1908 O HOH 22 12.128 15.303 29.758 1.00 34.29 O HETATM 1909 O HOH 23 9.586 11.936 8.653 1.00 43.97 O HETATM 1910 O HOH 24 -8.216 -0.175 33.067 1.00 35.59 O HETATM 1911 O HOH 25 5.629 -20.162 20.771 1.00 32.43 O HETATM 1912 O HOH 26 9.512 -12.717 33.809 1.00 35.93 O HETATM 1913 O HOH 27 17.163 11.458 15.695 1.00 45.64 O HETATM 1914 O HOH 28 12.480 -11.436 0.547 1.00 37.65 O HETATM 1915 O HOH 29 6.659 -9.814 8.859 1.00 21.68 O HETATM 1916 O HOH 30 0.218 2.006 40.414 1.00 35.07 O HETATM 1917 O HOH 31 -11.994 -1.664 20.634 1.00 43.66 O HETATM 1918 O HOH 32 -1.177 -2.172 40.738 1.00 36.85 O HETATM 1919 O HOH 33 -7.719 3.197 24.610 1.00 32.59 O HETATM 1920 O HOH 34 -1.392 16.052 24.043 1.00 26.34 O HETATM 1921 O HOH 35 2.238 17.329 10.304 1.00 27.43 O HETATM 1922 O HOH 36 -5.166 -9.259 30.431 1.00 32.71 O HETATM 1923 O HOH 37 2.288 10.816 26.503 1.00 21.69 O HETATM 1924 O HOH 38 10.782 -16.370 24.381 1.00 27.53 O HETATM 1925 O HOH 39 -4.053 4.651 30.526 1.00 25.58 O HETATM 1926 O HOH 40 16.361 14.777 13.007 1.00 42.74 O HETATM 1927 O HOH 41 12.743 -2.696 37.611 1.00 31.70 O HETATM 1928 O HOH 42 8.581 -16.454 15.110 1.00 37.85 O HETATM 1929 O HOH 43 -3.452 -11.057 15.620 1.00 24.93 O HETATM 1930 O HOH 44 3.328 22.499 27.240 1.00 24.12 O HETATM 1931 O HOH 45 -1.092 9.938 19.057 1.00 21.68 O HETATM 1932 O HOH 46 -4.891 1.387 25.632 1.00 27.60 O HETATM 1933 O HOH 47 16.456 -2.396 6.697 1.00 35.26 O HETATM 1934 O HOH 48 18.549 -9.634 -2.411 1.00 42.02 O HETATM 1935 O HOH 49 -6.447 17.718 11.946 1.00 24.02 O HETATM 1936 O HOH 50 -4.443 -2.305 30.472 1.00 22.30 O HETATM 1937 O HOH 51 -1.065 15.483 5.120 1.00 23.35 O HETATM 1938 O HOH 52 5.556 -4.438 40.935 1.00 28.66 O HETATM 1939 O HOH 53 -2.551 6.403 20.655 1.00 26.52 O HETATM 1940 O HOH 54 9.864 16.598 28.770 1.00 30.15 O HETATM 1941 O HOH 55 13.410 -9.290 7.234 1.00 29.23 O HETATM 1942 O HOH 56 -1.245 -15.591 23.207 1.00 22.34 O HETATM 1943 O HOH 57 0.534 -9.764 23.052 1.00 16.84 O HETATM 1944 O HOH 58 3.391 -0.445 40.380 1.00 27.52 O HETATM 1945 O HOH 59 -1.295 -10.247 21.214 1.00 18.50 O HETATM 1946 O HOH 60 -1.998 5.642 4.004 1.00 42.53 O HETATM 1947 O HOH 61 -9.390 -0.714 13.696 1.00 38.96 O HETATM 1948 O HOH 62 -0.373 -7.291 37.220 1.00 19.88 O HETATM 1949 O HOH 63 -4.002 13.798 7.677 1.00 54.45 O HETATM 1950 O HOH 64 3.458 -6.294 40.090 1.00 29.97 O HETATM 1951 O HOH 65 5.292 2.395 38.712 1.00 24.59 O HETATM 1952 O HOH 66 15.439 -8.001 35.413 1.00 35.81 O HETATM 1953 O HOH 67 2.454 7.454 4.052 1.00 29.60 O HETATM 1954 O HOH 68 -6.077 1.795 12.564 1.00 25.86 O HETATM 1955 O HOH 69 3.415 20.337 18.350 1.00 25.41 O HETATM 1956 O HOH 70 1.093 -16.682 18.746 1.00 31.52 O HETATM 1957 O HOH 71 7.110 23.933 12.483 1.00 32.60 O HETATM 1958 O HOH 72 -4.474 6.722 26.301 1.00 34.19 O HETATM 1959 O HOH 73 6.617 11.902 33.026 1.00 32.22 O HETATM 1960 O HOH 74 13.064 12.805 19.065 1.00 26.03 O HETATM 1961 O HOH 75 -7.041 15.055 11.534 1.00 26.25 O HETATM 1962 O HOH 76 -0.746 20.944 27.712 1.00 23.76 O HETATM 1963 O HOH 77 11.415 -13.623 29.666 1.00 35.31 O HETATM 1964 O HOH 78 0.398 -11.938 11.142 1.00 22.47 O HETATM 1965 O HOH 79 10.484 -9.267 28.279 1.00 35.22 O HETATM 1966 O HOH 80 20.379 2.564 34.764 1.00 40.43 O HETATM 1967 O HOH 81 3.215 23.909 8.413 1.00 37.18 O HETATM 1968 O HOH 82 7.025 23.043 23.335 1.00 23.98 O HETATM 1969 O HOH 83 3.297 17.443 18.189 1.00 30.28 O HETATM 1970 O HOH 84 -8.393 -10.908 23.961 1.00 37.21 O HETATM 1971 O HOH 85 8.885 9.707 6.739 1.00 39.00 O HETATM 1972 O HOH 86 -1.727 16.404 21.076 1.00 34.79 O HETATM 1973 O HOH 87 -9.890 -4.712 25.774 1.00 43.47 O HETATM 1974 O HOH 88 9.730 22.012 21.610 1.00 33.76 O HETATM 1975 O HOH 89 17.754 -3.742 1.002 1.00 30.00 O HETATM 1976 O HOH 90 0.676 17.030 14.318 1.00 35.34 O HETATM 1977 O HOH 91 11.208 -11.151 30.591 1.00 31.59 O HETATM 1978 O HOH 92 5.717 -14.226 5.349 1.00 39.10 O HETATM 1979 O HOH 93 12.942 -20.289 24.661 1.00 42.87 O HETATM 1980 O HOH 94 8.684 -16.473 9.086 1.00 31.85 O HETATM 1981 O HOH 95 -13.086 10.256 17.204 1.00 49.98 O HETATM 1982 O HOH 96 2.120 7.226 23.042 1.00 27.84 O HETATM 1983 O HOH 97 2.017 21.852 7.209 1.00 26.63 O HETATM 1984 O HOH 98 13.809 8.196 8.320 1.00 27.89 O HETATM 1985 O HOH 99 5.076 -11.989 -0.805 1.00 44.48 O HETATM 1986 O HOH 100 -4.293 -3.903 12.636 1.00 39.08 O HETATM 1987 O HOH 101 15.716 2.767 37.302 1.00 38.15 O HETATM 1988 O HOH 102 -5.003 17.022 9.402 1.00 22.49 O HETATM 1989 O HOH 103 8.113 -17.036 12.184 1.00 54.52 O HETATM 1990 O HOH 104 11.370 14.107 12.317 1.00 32.44 O HETATM 1991 O HOH 105 -12.743 -4.639 18.900 1.00 36.96 O HETATM 1992 O HOH 106 -13.262 2.740 19.093 1.00 54.48 O HETATM 1993 O HOH 107 -0.752 9.608 2.522 1.00 55.08 O HETATM 1994 O HOH 108 -3.142 11.063 8.492 1.00 29.87 O HETATM 1995 O HOH 109 -1.497 18.125 28.002 1.00 24.66 O HETATM 1996 O HOH 110 -8.543 2.004 13.408 1.00 29.15 O HETATM 1997 O HOH 111 -0.072 17.421 1.412 1.00 46.32 O HETATM 1998 O HOH 112 15.463 14.163 19.439 1.00 34.79 O HETATM 1999 O HOH 113 16.631 7.882 8.209 1.00 32.04 O HETATM 2000 O HOH 114 5.375 23.298 6.886 1.00 54.81 O HETATM 2001 O HOH 115 6.089 16.200 6.216 1.00 38.13 O HETATM 2002 O HOH 116 17.436 -0.682 25.058 1.00 45.84 O HETATM 2003 O HOH 117 -0.749 10.419 31.299 1.00 27.57 O HETATM 2004 O HOH 118 11.479 -17.864 28.554 1.00 48.58 O HETATM 2005 O HOH 119 -5.541 -6.702 13.881 1.00 38.07 O HETATM 2006 O HOH 120 -12.977 2.281 21.361 1.00 38.37 O HETATM 2007 O HOH 121 15.003 -3.266 36.465 1.00 44.61 O HETATM 2008 O HOH 122 -2.018 -10.802 12.213 1.00 28.24 O HETATM 2009 O HOH 123 11.489 10.432 6.573 1.00 61.84 O HETATM 2010 O HOH 124 3.912 22.884 4.767 1.00 36.92 O HETATM 2011 O HOH 125 17.198 14.773 17.112 1.00 62.27 O HETATM 2012 O HOH 126 13.358 30.778 18.340 1.00 57.01 O HETATM 2013 O HOH 127 -3.056 9.451 32.532 1.00 38.62 O HETATM 2014 O HOH 128 20.337 2.129 1.918 1.00 42.51 O HETATM 2015 O HOH 129 18.838 9.770 8.626 1.00 34.81 O HETATM 2016 O HOH 130 -3.939 6.721 32.460 1.00 47.61 O HETATM 2017 O HOH 131 12.587 8.287 5.784 1.00 40.14 O HETATM 2018 O HOH 132 -3.662 9.389 6.258 1.00 37.10 O HETATM 2019 O HOH 133 4.949 18.763 31.795 1.00 57.09 O HETATM 2020 O HOH 134 7.245 17.119 32.090 1.00 47.79 O HETATM 2021 O HOH 135 17.868 -8.815 34.391 1.00 45.82 O HETATM 2022 O HOH 136 4.181 -19.315 18.998 1.00 45.09 O HETATM 2023 O HOH 137 -6.377 2.971 26.703 1.00 49.32 O HETATM 2024 O HOH 138 -2.055 17.285 30.546 1.00 39.81 O HETATM 2025 O HOH 139 12.162 -17.977 25.830 1.00 41.20 O HETATM 2026 O HOH 140 -3.965 -19.510 23.383 1.00 46.20 O HETATM 2027 O HOH 141 14.879 -14.676 -6.059 1.00 42.56 O HETATM 2028 O HOH 142 -3.463 16.354 4.472 1.00 55.33 O HETATM 2029 O HOH 143 18.851 -1.690 2.165 1.00 44.95 O HETATM 2030 O HOH 144 3.624 -2.042 -1.878 1.00 56.78 O HETATM 2031 O HOH 145 -1.591 -0.898 43.120 1.00 50.23 O HETATM 2032 O HOH 146 12.797 16.440 12.789 1.00 50.65 O HETATM 2033 O HOH 147 13.549 -14.977 29.909 1.00 51.07 O HETATM 2034 O HOH 148 -0.171 7.622 4.077 1.00 39.25 O HETATM 2035 O HOH 149 1.635 4.454 40.090 1.00 53.65 O HETATM 2036 O HOH 150 16.041 -5.857 36.913 1.00 39.46 O HETATM 2037 O HOH 151 19.315 8.709 1.887 1.00 50.30 O HETATM 2038 O HOH 152 9.366 -7.195 38.946 1.00 38.41 O HETATM 2039 O HOH 153 7.890 5.167 -0.602 1.00 52.39 O HETATM 2040 O HOH 154 9.860 7.562 -0.277 1.00 38.07 O HETATM 2041 O HOH 155 9.882 -20.764 28.416 1.00 46.30 O HETATM 2042 O HOH 156 14.487 6.536 1.572 1.00 35.52 O HETATM 2043 O HOH 157 0.311 -9.786 41.036 1.00 46.45 O HETATM 2044 O HOH 158 0.424 8.222 34.574 1.00 38.08 O HETATM 2045 O HOH 159 -7.929 -0.773 35.756 1.00 38.85 O HETATM 2046 O HOH 160 -3.355 -4.625 38.847 1.00 47.02 O HETATM 2047 O HOH 161 -1.053 -13.857 37.066 1.00 31.93 O HETATM 2048 O HOH 162 -1.887 -11.454 36.177 1.00 32.43 O HETATM 2049 O HOH 163 8.149 -9.886 38.104 1.00 45.20 O HETATM 2050 O HOH 164 3.794 -15.480 37.706 1.00 36.42 O HETATM 2051 O HOH 165 -7.837 1.257 37.679 1.00 39.56 O HETATM 2052 O HOH 166 -2.752 -9.554 30.993 1.00 31.72 O HETATM 2053 O HOH 167 4.678 -10.630 41.144 1.00 44.88 O HETATM 2054 O HOH 168 5.238 -18.077 33.140 1.00 30.12 O HETATM 2055 O HOH 169 -5.676 4.786 28.409 1.00 43.99 O HETATM 2056 O HOH 170 5.746 -8.528 40.074 1.00 36.44 O HETATM 2057 O HOH 171 -1.361 -9.231 38.798 1.00 43.66 O HETATM 2058 O HOH 172 3.523 -18.186 37.764 1.00 45.87 O HETATM 2059 N GLU A 173 -4.119 6.182 39.805 1.00 0.24 N HETATM 2060 CA GLU A 173 -3.484 5.674 38.595 1.00 0.07 C HETATM 2061 C GLU A 173 -4.248 4.454 38.103 1.00 0.23 C HETATM 2062 O GLU A 173 -4.642 3.614 38.900 1.00 -0.39 O HETATM 2063 N GLU A 173 -4.453 4.353 36.789 1.00 -0.26 N HETATM 2064 CA GLU A 173 -5.173 3.212 36.234 1.00 0.13 C HETATM 2065 C GLU A 173 -4.372 1.936 36.437 1.00 0.20 C HETATM 2066 O GLU A 173 -3.205 1.848 36.049 1.00 -0.39 O HETATM 2067 N GLU A 173 -4.992 0.942 37.055 1.00 -0.26 N HETATM 2068 CA GLU A 173 -4.304 -0.316 37.279 1.00 0.13 C HETATM 2069 C GLU A 173 -4.374 -1.185 36.033 1.00 0.20 C HETATM 2070 O GLU A 173 -5.413 -1.290 35.378 1.00 -0.39 O HETATM 2071 N GLU A 173 -3.246 -1.781 35.688 1.00 -0.26 N HETATM 2072 CA GLU A 173 -3.217 -2.797 34.658 1.00 0.13 C HETATM 2073 C GLU A 173 -2.926 -4.154 35.280 1.00 0.20 C HETATM 2074 O GLU A 173 -2.470 -4.277 36.428 1.00 -0.39 O HETATM 2075 N GLU A 173 -3.263 -5.180 34.515 1.00 -0.26 N HETATM 2076 CA GLU A 173 -3.028 -6.559 34.899 1.00 0.13 C HETATM 2077 C GLU A 173 -1.981 -7.086 33.935 1.00 0.20 C HETATM 2078 O GLU A 173 -2.213 -7.115 32.723 1.00 -0.39 O HETATM 2079 N GLU A 173 -0.800 -7.413 34.458 1.00 -0.26 N HETATM 2080 CA GLU A 173 0.240 -7.929 33.589 1.00 0.13 C HETATM 2081 C GLU A 173 0.030 -9.418 33.356 1.00 0.21 C HETATM 2082 O GLU A 173 -0.492 -10.130 34.226 1.00 -0.39 O HETATM 2083 N GLU A 173 0.457 -9.916 32.205 1.00 -0.25 N HETATM 2084 CA GLU A 173 0.405 -11.361 31.992 1.00 0.13 C HETATM 2085 C GLU A 173 1.287 -12.108 32.980 1.00 0.20 C HETATM 2086 O GLU A 173 2.341 -11.627 33.418 1.00 -0.39 O HETATM 2087 N GLU A 173 0.830 -13.315 33.334 1.00 -0.26 N HETATM 2088 CA GLU A 173 1.471 -14.101 34.369 1.00 0.16 C HETATM 2089 C GLU A 173 2.973 -14.255 34.152 1.00 0.21 C HETATM 2090 O GLU A 173 3.748 -14.206 35.112 1.00 -0.39 O HETATM 2091 N GLU A 173 3.408 -14.470 32.909 1.00 -0.26 N HETATM 2092 CA GLU A 173 4.830 -14.716 32.692 1.00 0.14 C HETATM 2093 C GLU A 173 5.677 -13.539 33.157 1.00 0.21 C HETATM 2094 O GLU A 173 6.829 -13.730 33.562 1.00 -0.39 O HETATM 2095 N GLU A 173 5.126 -12.329 33.131 1.00 -0.26 N HETATM 2096 CA GLU A 173 5.890 -11.166 33.573 1.00 0.13 C HETATM 2097 C GLU A 173 6.031 -11.096 35.088 1.00 0.20 C HETATM 2098 O GLU A 173 6.899 -10.372 35.594 1.00 -0.39 O HETATM 2099 N GLU A 173 5.216 -11.840 35.825 1.00 -0.26 N HETATM 2100 CA GLU A 173 5.218 -11.793 37.279 1.00 0.13 C HETATM 2101 C GLU A 173 6.013 -12.935 37.889 1.00 0.20 C HETATM 2102 O GLU A 173 6.123 -13.013 39.121 1.00 -0.39 O HETATM 2103 N GLU A 173 6.585 -13.804 37.057 1.00 -0.27 N HETATM 2104 CA GLU A 173 7.339 -14.962 37.528 1.00 0.09 C HETATM 2105 C GLU A 173 8.537 -14.541 38.367 1.00 0.06 C HETATM 2106 O GLU A 173 9.151 -13.506 38.113 1.00 -0.57 O HETATM 2107 OXT GLU A 173 8.914 -15.228 39.315 1.00 -0.57 O HETATM 2108 CB GLU A 173 7.790 -15.794 36.344 1.00 -0.03 C HETATM 2109 H112 GLU A 173 8.357 -16.665 36.703 1.00 0.03 H HETATM 2110 H113 GLU A 173 8.430 -15.184 35.690 1.00 0.03 H HETATM 2111 H114 GLU A 173 6.910 -16.137 35.780 1.00 0.03 H HETATM 2112 H111 GLU A 173 6.677 -15.576 38.156 1.00 0.07 H HETATM 2113 H110 GLU A 173 6.494 -13.658 36.072 1.00 0.19 H HETATM 2114 CB GLU A 173 3.774 -11.812 37.802 1.00 -0.01 C HETATM 2115 CG GLU A 173 2.850 -10.717 37.254 1.00 -0.04 C HETATM 2116 CD1 GLU A 173 1.413 -10.922 37.695 1.00 -0.06 C HETATM 2117 H104 GLU A 173 0.785 -10.119 37.283 1.00 0.02 H HETATM 2118 H105 GLU A 173 1.360 -10.901 38.794 1.00 0.02 H HETATM 2119 H106 GLU A 173 1.052 -11.894 37.329 1.00 0.02 H HETATM 2120 CD2 GLU A 173 3.331 -9.351 37.674 1.00 -0.06 C HETATM 2121 H107 GLU A 173 4.373 -9.213 37.349 1.00 0.02 H HETATM 2122 H108 GLU A 173 3.273 -9.263 38.769 1.00 0.02 H HETATM 2123 H109 GLU A 173 2.698 -8.581 37.210 1.00 0.02 H HETATM 2124 H103 GLU A 173 2.879 -10.769 36.156 1.00 0.03 H HETATM 2125 H101 GLU A 173 3.810 -11.706 38.896 1.00 0.03 H HETATM 2126 H102 GLU A 173 3.334 -12.786 37.542 1.00 0.03 H HETATM 2127 H100 GLU A 173 5.688 -10.848 37.589 1.00 0.08 H HETATM 2128 H99 GLU A 173 4.577 -12.456 35.364 1.00 0.19 H HETATM 2129 CB GLU A 173 5.231 -9.889 33.070 1.00 -0.00 C HETATM 2130 CG GLU A 173 5.385 -9.714 31.600 1.00 -0.00 C HETATM 2131 SD GLU A 173 4.673 -8.168 30.983 1.00 -0.16 S HETATM 2132 CE GLU A 173 5.869 -7.007 31.615 1.00 -0.02 C HETATM 2133 H96 GLU A 173 5.580 -5.987 31.322 1.00 0.03 H HETATM 2134 H97 GLU A 173 6.861 -7.240 31.201 1.00 0.03 H HETATM 2135 H98 GLU A 173 5.904 -7.077 32.712 1.00 0.03 H HETATM 2136 H94 GLU A 173 4.886 -10.554 31.094 1.00 0.04 H HETATM 2137 H95 GLU A 173 6.458 -9.725 31.358 1.00 0.04 H HETATM 2138 H92 GLU A 173 5.692 -9.029 33.578 1.00 0.03 H HETATM 2139 H93 GLU A 173 4.158 -9.926 33.311 1.00 0.03 H HETATM 2140 H91 GLU A 173 6.898 -11.237 33.139 1.00 0.08 H HETATM 2141 H90 GLU A 173 4.186 -12.215 32.808 1.00 0.19 H HETATM 2142 CB GLU A 173 5.111 -15.057 31.218 1.00 0.00 C HETATM 2143 CG GLU A 173 4.908 -13.943 30.262 1.00 -0.04 C HETATM 2144 CD1 GLU A 173 3.774 -13.677 29.550 1.00 0.02 C HETATM 2145 NE1 GLU A 173 3.962 -12.578 28.757 1.00 -0.29 N HETATM 2146 CE2 GLU A 173 5.237 -12.112 28.936 1.00 0.06 C HETATM 2147 CD2 GLU A 173 5.864 -12.955 29.882 1.00 -0.02 C HETATM 2148 CE3 GLU A 173 7.193 -12.694 30.242 1.00 -0.07 C HETATM 2149 CZ3 GLU A 173 7.840 -11.587 29.671 1.00 -0.08 C HETATM 2150 CH2 GLU A 173 7.184 -10.775 28.735 1.00 -0.08 C HETATM 2151 CZ2 GLU A 173 5.881 -11.000 28.380 1.00 -0.04 C HETATM 2152 H87 GLU A 173 5.365 -10.340 27.692 1.00 0.05 H HETATM 2153 H89 GLU A 173 7.721 -9.950 28.282 1.00 0.05 H HETATM 2154 H88 GLU A 173 8.860 -11.357 29.957 1.00 0.05 H HETATM 2155 H86 GLU A 173 7.711 -13.334 30.947 1.00 0.05 H HETATM 2156 H85 GLU A 173 3.258 -12.168 28.127 1.00 0.22 H HETATM 2157 H84 GLU A 173 2.853 -14.256 29.605 1.00 0.08 H HETATM 2158 H82 GLU A 173 4.444 -15.881 30.926 1.00 0.04 H HETATM 2159 H83 GLU A 173 6.157 -15.387 31.139 1.00 0.04 H HETATM 2160 H81 GLU A 173 5.114 -15.590 33.297 1.00 0.08 H HETATM 2161 H80 GLU A 173 2.770 -14.463 32.139 1.00 0.19 H HETATM 2162 CB GLU A 173 0.780 -15.464 34.434 1.00 0.09 C HETATM 2163 OG1 GLU A 173 -0.554 -15.265 34.887 1.00 -0.39 O HETATM 2164 H76 GLU A 173 -0.538 -14.865 35.748 1.00 0.21 H HETATM 2165 CG2 GLU A 173 1.491 -16.416 35.360 1.00 -0.03 C HETATM 2166 H77 GLU A 173 0.960 -17.379 35.374 1.00 0.03 H HETATM 2167 H78 GLU A 173 1.511 -15.993 36.375 1.00 0.03 H HETATM 2168 H79 GLU A 173 2.521 -16.571 35.007 1.00 0.03 H HETATM 2169 H75 GLU A 173 0.762 -15.903 33.425 1.00 0.06 H HETATM 2170 H74 GLU A 173 1.324 -13.588 35.331 1.00 0.08 H HETATM 2171 H73 GLU A 173 0.024 -13.685 32.872 1.00 0.19 H HETATM 2172 CB GLU A 173 0.887 -11.528 30.548 1.00 -0.01 C HETATM 2173 CG GLU A 173 1.687 -10.301 30.255 1.00 -0.03 C HETATM 2174 CD GLU A 173 1.070 -9.201 31.071 1.00 0.04 C HETATM 2175 H71 GLU A 173 1.836 -8.493 31.420 1.00 0.05 H HETATM 2176 H72 GLU A 173 0.309 -8.660 30.490 1.00 0.05 H HETATM 2177 H69 GLU A 173 1.635 -10.057 29.184 1.00 0.03 H HETATM 2178 H70 GLU A 173 2.737 -10.450 30.547 1.00 0.03 H HETATM 2179 H67 GLU A 173 0.030 -11.602 29.862 1.00 0.03 H HETATM 2180 H68 GLU A 173 1.513 -12.428 30.452 1.00 0.03 H HETATM 2181 H66 GLU A 173 -0.627 -11.727 32.094 1.00 0.08 H HETATM 2182 CB GLU A 173 1.612 -7.717 34.195 1.00 -0.01 C HETATM 2183 CG GLU A 173 2.070 -6.271 34.419 1.00 -0.04 C HETATM 2184 CD1 GLU A 173 3.438 -6.256 35.089 1.00 -0.06 C HETATM 2185 H60 GLU A 173 3.758 -5.215 35.246 1.00 0.02 H HETATM 2186 H61 GLU A 173 4.167 -6.771 34.446 1.00 0.02 H HETATM 2187 H62 GLU A 173 3.377 -6.771 36.059 1.00 0.02 H HETATM 2188 CD2 GLU A 173 2.084 -5.500 33.130 1.00 -0.06 C HETATM 2189 H63 GLU A 173 1.084 -5.531 32.673 1.00 0.02 H HETATM 2190 H64 GLU A 173 2.815 -5.949 32.442 1.00 0.02 H HETATM 2191 H65 GLU A 173 2.363 -4.455 33.331 1.00 0.02 H HETATM 2192 H59 GLU A 173 1.352 -5.785 35.096 1.00 0.03 H HETATM 2193 H57 GLU A 173 2.345 -8.195 33.528 1.00 0.03 H HETATM 2194 H58 GLU A 173 1.622 -8.221 35.173 1.00 0.03 H HETATM 2195 H56 GLU A 173 0.190 -7.401 32.625 1.00 0.08 H HETATM 2196 H55 GLU A 173 -0.633 -7.304 35.438 1.00 0.19 H HETATM 2197 CB GLU A 173 -4.314 -7.387 34.837 1.00 -0.00 C HETATM 2198 CG1 GLU A 173 -5.364 -6.806 35.785 1.00 -0.05 C HETATM 2199 CD1 GLU A 173 -6.745 -7.395 35.589 1.00 -0.06 C HETATM 2200 H52 GLU A 173 -7.445 -6.933 36.301 1.00 0.02 H HETATM 2201 H53 GLU A 173 -6.709 -8.481 35.763 1.00 0.02 H HETATM 2202 H54 GLU A 173 -7.085 -7.199 34.561 1.00 0.02 H HETATM 2203 H47 GLU A 173 -5.421 -5.720 35.618 1.00 0.03 H HETATM 2204 H48 GLU A 173 -5.046 -7.002 36.820 1.00 0.03 H HETATM 2205 CG2 GLU A 173 -4.009 -8.877 35.116 1.00 -0.06 C HETATM 2206 H49 GLU A 173 -3.250 -9.235 34.405 1.00 0.02 H HETATM 2207 H50 GLU A 173 -4.929 -9.468 34.999 1.00 0.02 H HETATM 2208 H51 GLU A 173 -3.631 -8.988 36.143 1.00 0.02 H HETATM 2209 H46 GLU A 173 -4.715 -7.317 33.815 1.00 0.03 H HETATM 2210 H45 GLU A 173 -2.637 -6.596 35.927 1.00 0.08 H HETATM 2211 H44 GLU A 173 -3.699 -4.997 33.634 1.00 0.19 H HETATM 2212 CB GLU A 173 -2.185 -2.460 33.569 1.00 -0.01 C HETATM 2213 CG GLU A 173 -0.777 -2.296 34.082 1.00 -0.02 C HETATM 2214 CD GLU A 173 0.247 -2.199 32.947 1.00 0.06 C HETATM 2215 NE GLU A 173 -0.059 -1.141 31.982 1.00 -0.27 N HETATM 2216 CZ GLU A 173 0.374 0.108 32.052 1.00 0.29 C HETATM 2217 NH1 GLU A 173 1.166 0.512 33.047 1.00 -0.28 N HETATM 2218 H40 GLU A 173 1.491 1.489 33.082 1.00 0.26 H HETATM 2219 H41 GLU A 173 1.452 -0.153 33.780 1.00 0.26 H HETATM 2220 NH2 GLU A 173 0.024 0.967 31.108 1.00 -0.28 N HETATM 2221 H42 GLU A 173 -0.587 0.663 30.336 1.00 0.26 H HETATM 2222 H43 GLU A 173 0.363 1.939 31.145 1.00 0.26 H HETATM 2223 H39 GLU A 173 -0.660 -1.389 31.183 1.00 0.26 H HETATM 2224 H37 GLU A 173 0.271 -3.161 32.415 1.00 0.07 H HETATM 2225 H38 GLU A 173 1.236 -1.997 33.385 1.00 0.07 H HETATM 2226 H35 GLU A 173 -0.526 -3.163 34.711 1.00 0.03 H HETATM 2227 H36 GLU A 173 -0.725 -1.377 34.685 1.00 0.03 H HETATM 2228 H33 GLU A 173 -2.488 -1.519 33.086 1.00 0.03 H HETATM 2229 H34 GLU A 173 -2.189 -3.272 32.827 1.00 0.03 H HETATM 2230 H32 GLU A 173 -4.210 -2.838 34.186 1.00 0.08 H HETATM 2231 H31 GLU A 173 -2.396 -1.525 36.148 1.00 0.19 H HETATM 2232 CB GLU A 173 -4.907 -1.038 38.481 1.00 -0.01 C HETATM 2233 CG GLU A 173 -4.742 -0.256 39.794 1.00 -0.05 C HETATM 2234 CD GLU A 173 -3.285 -0.189 40.232 1.00 -0.07 C HETATM 2235 H28 GLU A 173 -3.211 0.377 41.172 1.00 0.02 H HETATM 2236 H29 GLU A 173 -2.691 0.313 39.454 1.00 0.02 H HETATM 2237 H30 GLU A 173 -2.901 -1.208 40.386 1.00 0.02 H HETATM 2238 H26 GLU A 173 -5.328 -0.753 40.581 1.00 0.03 H HETATM 2239 H27 GLU A 173 -5.118 0.768 39.649 1.00 0.03 H HETATM 2240 H24 GLU A 173 -4.411 -2.014 38.589 1.00 0.03 H HETATM 2241 H25 GLU A 173 -5.981 -1.191 38.296 1.00 0.03 H HETATM 2242 H23 GLU A 173 -3.247 -0.103 37.495 1.00 0.08 H HETATM 2243 H22 GLU A 173 -5.935 1.058 37.367 1.00 0.19 H HETATM 2244 CB GLU A 173 -5.446 3.435 34.747 1.00 -0.01 C HETATM 2245 CG GLU A 173 -6.342 2.370 34.140 1.00 -0.02 C HETATM 2246 CD GLU A 173 -6.541 2.600 32.658 1.00 0.06 C HETATM 2247 NE GLU A 173 -5.294 2.423 31.929 1.00 -0.27 N HETATM 2248 CZ GLU A 173 -4.807 1.247 31.531 1.00 0.29 C HETATM 2249 NH1 GLU A 173 -5.454 0.109 31.800 1.00 -0.28 N HETATM 2250 H18 GLU A 173 -5.065 -0.791 31.486 1.00 0.26 H HETATM 2251 H19 GLU A 173 -6.342 0.132 32.322 1.00 0.26 H HETATM 2252 NH2 GLU A 173 -3.655 1.213 30.883 1.00 -0.28 N HETATM 2253 H20 GLU A 173 -3.155 2.089 30.675 1.00 0.26 H HETATM 2254 H21 GLU A 173 -3.257 0.310 30.586 1.00 0.26 H HETATM 2255 H17 GLU A 173 -4.748 3.267 31.704 1.00 0.26 H HETATM 2256 H15 GLU A 173 -6.908 3.625 32.499 1.00 0.07 H HETATM 2257 H16 GLU A 173 -7.284 1.882 32.279 1.00 0.07 H HETATM 2258 H13 GLU A 173 -7.321 2.396 34.642 1.00 0.03 H HETATM 2259 H14 GLU A 173 -5.879 1.384 34.291 1.00 0.03 H HETATM 2260 H11 GLU A 173 -4.486 3.432 34.210 1.00 0.03 H HETATM 2261 H12 GLU A 173 -5.932 4.414 34.623 1.00 0.03 H HETATM 2262 H10 GLU A 173 -6.135 3.112 36.758 1.00 0.08 H HETATM 2263 H9 GLU A 173 -4.110 5.066 36.178 1.00 0.19 H HETATM 2264 CB GLU A 173 -2.017 5.322 38.870 1.00 0.02 C HETATM 2265 CG GLU A 173 -1.233 4.830 37.680 1.00 0.01 C HETATM 2266 CD GLU A 173 -1.134 5.848 36.551 1.00 0.04 C HETATM 2267 OE1 GLU A 173 -0.021 6.381 36.318 1.00 -0.57 O HETATM 2268 OE2 GLU A 173 -2.169 6.112 35.891 1.00 -0.57 O HETATM 2269 H7 GLU A 173 -1.723 3.926 37.291 1.00 0.04 H HETATM 2270 H8 GLU A 173 -0.215 4.581 38.013 1.00 0.04 H HETATM 2271 H5 GLU A 173 -1.996 4.535 39.639 1.00 0.04 H HETATM 2272 H6 GLU A 173 -1.518 6.224 39.255 1.00 0.04 H HETATM 2273 H4 GLU A 173 -3.519 6.453 37.819 1.00 0.11 H HETATM 2274 H1 GLU A 173 -3.616 6.991 40.134 1.00 0.20 H HETATM 2275 H2 GLU A 173 -4.108 5.467 40.516 1.00 0.20 H HETATM 2276 H3 GLU A 173 -5.072 6.439 39.602 1.00 0.20 H CONECT 1 2 13 14 15 CONECT 13 1 CONECT 14 1 CONECT 15 1 CONECT 1498 1499 1502 1503 1504 CONECT 1502 1498 CONECT 1503 1498 CONECT 1504 1498 CONECT 2059 2060 2274 2275 2276 CONECT 2060 2059 2061 2264 2273 CONECT 2061 2060 2062 2063 CONECT 2062 2061 CONECT 2063 2061 2064 2263 CONECT 2064 2063 2065 2244 2262 CONECT 2065 2064 2066 2067 CONECT 2066 2065 CONECT 2067 2065 2068 2243 CONECT 2068 2067 2069 2232 2242 CONECT 2069 2068 2070 2071 CONECT 2070 2069 CONECT 2071 2069 2072 2231 CONECT 2072 2071 2073 2212 2230 CONECT 2073 2072 2074 2075 CONECT 2074 2073 CONECT 2075 2073 2076 2211 CONECT 2076 2075 2077 2197 2210 CONECT 2077 2076 2078 2079 CONECT 2078 2077 CONECT 2079 2077 2080 2196 CONECT 2080 2079 2081 2182 2195 CONECT 2081 2080 2082 2083 CONECT 2082 2081 CONECT 2083 2081 2084 2174 CONECT 2084 2083 2085 2172 2181 CONECT 2085 2084 2086 2087 CONECT 2086 2085 CONECT 2087 2085 2088 2171 CONECT 2088 2087 2089 2162 2170 CONECT 2089 2088 2090 2091 CONECT 2090 2089 CONECT 2091 2089 2092 2161 CONECT 2092 2091 2093 2142 2160 CONECT 2093 2092 2094 2095 CONECT 2094 2093 CONECT 2095 2093 2096 2141 CONECT 2096 2095 2097 2129 2140 CONECT 2097 2096 2098 2099 CONECT 2098 2097 CONECT 2099 2097 2100 2128 CONECT 2100 2099 2101 2114 2127 CONECT 2101 2100 2102 2103 CONECT 2102 2101 CONECT 2103 2101 2104 2113 CONECT 2104 2103 2105 2108 2112 CONECT 2105 2104 2106 2107 CONECT 2106 2105 CONECT 2107 2105 CONECT 2108 2104 2109 2110 2111 CONECT 2109 2108 CONECT 2110 2108 CONECT 2111 2108 CONECT 2112 2104 CONECT 2113 2103 CONECT 2114 2100 2115 2125 2126 CONECT 2115 2114 2116 2120 2124 CONECT 2116 2115 2117 2118 2119 CONECT 2117 2116 CONECT 2118 2116 CONECT 2119 2116 CONECT 2120 2115 2121 2122 2123 CONECT 2121 2120 CONECT 2122 2120 CONECT 2123 2120 CONECT 2124 2115 CONECT 2125 2114 CONECT 2126 2114 CONECT 2127 2100 CONECT 2128 2099 CONECT 2129 2096 2130 2138 2139 CONECT 2130 2129 2131 2136 2137 CONECT 2131 2130 2132 CONECT 2132 2131 2133 2134 2135 CONECT 2133 2132 CONECT 2134 2132 CONECT 2135 2132 CONECT 2136 2130 CONECT 2137 2130 CONECT 2138 2129 CONECT 2139 2129 CONECT 2140 2096 CONECT 2141 2095 CONECT 2142 2092 2143 2158 2159 CONECT 2143 2142 2144 2147 CONECT 2144 2143 2145 2157 CONECT 2145 2144 2146 2156 CONECT 2146 2145 2147 2151 CONECT 2147 2143 2146 2148 CONECT 2148 2147 2149 2155 CONECT 2149 2148 2150 2154 CONECT 2150 2149 2151 2153 CONECT 2151 2146 2150 2152 CONECT 2152 2151 CONECT 2153 2150 CONECT 2154 2149 CONECT 2155 2148 CONECT 2156 2145 CONECT 2157 2144 CONECT 2158 2142 CONECT 2159 2142 CONECT 2160 2092 CONECT 2161 2091 CONECT 2162 2088 2163 2165 2169 CONECT 2163 2162 2164 CONECT 2164 2163 CONECT 2165 2162 2166 2167 2168 CONECT 2166 2165 CONECT 2167 2165 CONECT 2168 2165 CONECT 2169 2162 CONECT 2170 2088 CONECT 2171 2087 CONECT 2172 2084 2173 2179 2180 CONECT 2173 2172 2174 2177 2178 CONECT 2174 2083 2173 2175 2176 CONECT 2175 2174 CONECT 2176 2174 CONECT 2177 2173 CONECT 2178 2173 CONECT 2179 2172 CONECT 2180 2172 CONECT 2181 2084 CONECT 2182 2080 2183 2193 2194 CONECT 2183 2182 2184 2188 2192 CONECT 2184 2183 2185 2186 2187 CONECT 2185 2184 CONECT 2186 2184 CONECT 2187 2184 CONECT 2188 2183 2189 2190 2191 CONECT 2189 2188 CONECT 2190 2188 CONECT 2191 2188 CONECT 2192 2183 CONECT 2193 2182 CONECT 2194 2182 CONECT 2195 2080 CONECT 2196 2079 CONECT 2197 2076 2198 2205 2209 CONECT 2198 2197 2199 2203 2204 CONECT 2199 2198 2200 2201 2202 CONECT 2200 2199 CONECT 2201 2199 CONECT 2202 2199 CONECT 2203 2198 CONECT 2204 2198 CONECT 2205 2197 2206 2207 2208 CONECT 2206 2205 CONECT 2207 2205 CONECT 2208 2205 CONECT 2209 2197 CONECT 2210 2076 CONECT 2211 2075 CONECT 2212 2072 2213 2228 2229 CONECT 2213 2212 2214 2226 2227 CONECT 2214 2213 2215 2224 2225 CONECT 2215 2214 2216 2223 CONECT 2216 2215 2217 2220 CONECT 2217 2216 2218 2219 CONECT 2218 2217 CONECT 2219 2217 CONECT 2220 2216 2221 2222 CONECT 2221 2220 CONECT 2222 2220 CONECT 2223 2215 CONECT 2224 2214 CONECT 2225 2214 CONECT 2226 2213 CONECT 2227 2213 CONECT 2228 2212 CONECT 2229 2212 CONECT 2230 2072 CONECT 2231 2071 CONECT 2232 2068 2233 2240 2241 CONECT 2233 2232 2234 2238 2239 CONECT 2234 2233 2235 2236 2237 CONECT 2235 2234 CONECT 2236 2234 CONECT 2237 2234 CONECT 2238 2233 CONECT 2239 2233 CONECT 2240 2232 CONECT 2241 2232 CONECT 2242 2068 CONECT 2243 2067 CONECT 2244 2064 2245 2260 2261 CONECT 2245 2244 2246 2258 2259 CONECT 2246 2245 2247 2256 2257 CONECT 2247 2246 2248 2255 CONECT 2248 2247 2249 2252 CONECT 2249 2248 2250 2251 CONECT 2250 2249 CONECT 2251 2249 CONECT 2252 2248 2253 2254 CONECT 2253 2252 CONECT 2254 2252 CONECT 2255 2247 CONECT 2256 2246 CONECT 2257 2246 CONECT 2258 2245 CONECT 2259 2245 CONECT 2260 2244 CONECT 2261 2244 CONECT 2262 2064 CONECT 2263 2063 CONECT 2264 2060 2265 2271 2272 CONECT 2265 2264 2266 2269 2270 CONECT 2266 2265 2267 2268 CONECT 2267 2266 CONECT 2268 2266 CONECT 2269 2265 CONECT 2270 2265 CONECT 2271 2264 CONECT 2272 2264 CONECT 2273 2060 CONECT 2274 2059 CONECT 2275 2059 CONECT 2276 2059 MASTER 0 0 0 0 0 0 0 0 2274 2 226 17 END
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16-mer
5lvf
RCSB PDB
PDBbind
16-mer
5ly3
RCSB PDB
PDBbind
16-mer
5m9d
RCSB PDB
PDBbind
16-mer
5myk
RCSB PDB
PDBbind
16-mer
5myx
RCSB PDB
PDBbind
16-mer
5nin
RCSB PDB
PDBbind
16-mer
5njx
RCSB PDB
PDBbind
16-mer
5o4y
RCSB PDB
PDBbind
16-mer
5u2j
RCSB PDB
PDBbind
16-mer
5v1y
RCSB PDB
PDBbind
16-mer
5v6y
RCSB PDB
PDBbind
16-mer
5wa4
RCSB PDB
PDBbind
16-mer
5wbl
RCSB PDB
PDBbind
16-mer
5wqd
RCSB PDB
PDBbind
16-mer
5y7w
RCSB PDB
PDBbind
16-mer
6bhi
RCSB PDB
PDBbind
16-mer
6g84
RCSB PDB
PDBbind
16-mer
6g85
RCSB PDB
PDBbind
16-mer
6g86
RCSB PDB
PDBbind
16-mer
6h0b
RCSB PDB
PDBbind
16-mer
6qsz
RCSB PDB
PDBbind
16-mer
6pi7
RCSB PDB
PDBbind
16-mer
6me1
RCSB PDB
PDBbind
16-mer
6d08
RCSB PDB
PDBbind
16-mer
6d07
RCSB PDB
PDBbind
16-mer
5zml
RCSB PDB
PDBbind
16-mer
5w4e
RCSB PDB
PDBbind
16-mer
Entry Information
PDB ID
6tyz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Ku80 von Willebrand domain
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.51(Å)
Affinity (Kd/Ki/IC50)
Kd=131nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) DNA Repair (Amst.) Vol. 85: pp. 102739-102739
Ligand Properties
Formula
C
6
8
H
1
1
6
N
1
9
O
1
6
S
Molecular Weight
1487.830
Exact Mass
1486.860
No. of atoms
220
No. of bonds
222
Polar Surface Area
606.89
LOGP Value
4.73 (
Computed with XLOGP3
)
0.12 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 57
No. of Nitrogen and Oxygen Atoms: 35
No. of Rings: 3
Canonical SMILES
CSCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)CC(C)C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[NH3+])CCC[NH+]=C(N)N)CCC)CCC[NH+]=C(N)N)CC(C)C
InChI String
InChI=1S/C68H113N19O16S/c1-11-18-44(79-57(93)45(21-15-27-74-67(70)71)78-55(91)42(69)24-25-52(89)90)56(92)80-46(22-16-28-75-68(72)73)59(95)85-53(37(7)12-2)63(99)84-50(32-36(5)6)65(101)87-29-17-23-51(87)62(98)86-54(39(9)88)64(100)83-49(33-40-34-76-43-20-14-13-19-41(40)43)61(97)81-47(26-30-104-10)58(94)82-48(31-35(3)4)60(96)77-38(8)66(102)103/h13-14,19-20,34-39,42,44-51,53-54,76,88H,11-12,15-18,21-33,69H2,1-10H3,(H,77,96)(H,78,91)(H,79,93)(H,80,92)(H,81,97)(H,82,94)(H,83,100)(H,84,99)(H,85,95)(H,86,98)(H,89,90)(H,102,103)(H4,70,71,74)(H4,72,73,75)/p+3/t37-,38-,39+,42-,44-,45-,46-,47-,48-,49-,50-,51-,53-,54-/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):
Q8IW19
A0A1L8EVE5
Entrez Gene ID
NCBI Entrez Gene ID:
200558
ASD
Information of known allosteric effects of PDB entries
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