Browse entries in the PDBbind-CN Database
HEADER 6SEO_COMPLEX COMPND 6SEO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 36 PRO ARG SER VAL ALA SER SER LYS LEU TRP MET LEU GLU SEQRES 2 A 36 PHE SER ALA PHE LEU GLU GLN GLN GLN ASP PRO ASP THR SEQRES 3 A 36 TYR ASN LYS HIS LEU PHE VAL HIS ILE GLY SEQRES 1 A 46 PRO TYR LEU GLU ALA VAL ASP ILE ARG GLN ILE TYR ASP SEQRES 2 A 46 LYS PHE PRO GLU LYS LYS GLY GLY LEU LYS ASP LEU PHE SEQRES 3 A 46 GLU ARG GLY PRO SER ASN ALA PHE PHE LEU VAL LYS PHE SEQRES 4 A 46 TRP ALA ASP LEU ASN THR ASN SEQRES 1 A 33 SER SER PHE TYR GLY VAL SER SER GLN TYR GLU SER PRO SEQRES 2 A 33 GLU ASN MET ILE ILE THR CYS SER THR LYS VAL CYS SER SEQRES 3 A 33 PHE GLY LYS GLN VAL VAL GLU SEQRES 1 A 89 VAL GLU THR GLU TYR ALA ARG TYR GLU ASN GLY HIS TYR SEQRES 2 A 89 SER TYR ARG ILE HIS ARG SER PRO LEU CYS GLU TYR MET SEQRES 3 A 89 ILE ASN PHE ILE HIS LYS LEU LYS HIS LEU PRO GLU LYS SEQRES 4 A 89 TYR MET MET ASN SER VAL LEU GLU ASN PHE THR ILE LEU SEQRES 5 A 89 GLN VAL VAL THR ASN ARG ASP THR GLN GLU THR LEU LEU SEQRES 6 A 89 CYS ILE ALA TYR VAL PHE GLU VAL SER ALA SER GLU HIS SEQRES 7 A 89 GLY ALA GLN HIS HIS ILE TYR ARG LEU VAL LYS HET ACE A 217 271 ATOM 1 N PRO A 216 14.717 18.705 31.489 1.00 85.81 N ATOM 2 CA PRO A 216 13.573 18.909 32.400 1.00 85.73 C ATOM 3 C PRO A 216 12.325 19.420 31.652 1.00 87.58 C ATOM 4 O PRO A 216 11.347 18.681 31.480 1.00 86.57 O ATOM 5 CB PRO A 216 14.121 19.898 33.449 1.00 87.36 C ATOM 6 CG PRO A 216 15.410 20.422 32.867 1.00 91.76 C ATOM 7 CD PRO A 216 15.944 19.325 32.012 1.00 87.13 C ATOM 8 HN2 PRO A 216 14.493 19.127 30.565 1.00 0.00 H ATOM 9 HN1 PRO A 216 14.878 17.684 31.372 1.00 0.00 H ATOM 10 N ARG A 217 12.391 20.683 31.197 1.00 82.06 N ATOM 11 CA ARG A 217 11.414 21.378 30.364 1.00 80.30 C ATOM 12 C ARG A 217 12.104 21.608 28.984 1.00 79.39 C ATOM 13 O ARG A 217 11.599 22.341 28.127 1.00 78.88 O ATOM 14 CB ARG A 217 10.991 22.706 31.026 1.00 80.65 C ATOM 15 H ARG A 217 13.234 21.227 31.469 1.00 0.00 H ATOM 16 N SER A 218 13.258 20.937 28.786 1.00 72.23 N ATOM 17 CA SER A 218 14.078 21.031 27.585 1.00 70.78 C ATOM 18 C SER A 218 13.613 20.118 26.451 1.00 71.38 C ATOM 19 O SER A 218 12.994 19.092 26.702 1.00 72.03 O ATOM 20 CB SER A 218 15.560 20.809 27.908 1.00 74.40 C ATOM 21 OG SER A 218 15.824 19.722 28.779 1.00 82.12 O ATOM 22 HG SER A 218 16.800 19.653 28.932 1.00 0.00 H ATOM 23 H SER A 218 13.586 20.307 29.546 1.00 0.00 H ATOM 24 N VAL A 219 13.888 20.518 25.199 1.00 64.61 N ATOM 25 CA VAL A 219 13.586 19.752 23.994 1.00 62.43 C ATOM 26 C VAL A 219 14.822 18.861 23.845 1.00 67.93 C ATOM 27 O VAL A 219 15.782 19.211 23.154 1.00 67.56 O ATOM 28 CB VAL A 219 13.307 20.677 22.771 1.00 64.47 C ATOM 29 CG1 VAL A 219 13.068 19.877 21.496 1.00 63.88 C ATOM 30 CG2 VAL A 219 12.125 21.601 23.042 1.00 63.78 C ATOM 31 H VAL A 219 14.350 21.442 25.079 1.00 0.00 H ATOM 32 N ALA A 220 14.829 17.743 24.597 1.00 66.10 N ATOM 33 CA ALA A 220 15.947 16.807 24.644 1.00 65.50 C ATOM 34 C ALA A 220 15.519 15.360 24.715 1.00 70.44 C ATOM 35 O ALA A 220 14.665 14.981 25.522 1.00 69.65 O ATOM 36 CB ALA A 220 16.846 17.129 25.822 1.00 65.86 C ATOM 37 H ALA A 220 13.991 17.536 25.176 1.00 0.00 H ATOM 38 N SER A 221 16.165 14.542 23.887 1.00 68.41 N ATOM 39 CA SER A 221 15.971 13.106 23.856 1.00 69.20 C ATOM 40 C SER A 221 17.039 12.510 24.754 1.00 77.04 C ATOM 41 O SER A 221 17.614 13.195 25.608 1.00 77.61 O ATOM 42 CB SER A 221 16.211 12.600 22.443 1.00 72.25 C ATOM 43 OG SER A 221 17.564 12.780 22.051 1.00 76.48 O ATOM 44 HG SER A 221 17.687 12.441 21.129 1.00 0.00 H ATOM 45 H SER A 221 16.849 14.958 23.223 1.00 0.00 H ATOM 46 N SER A 222 17.372 11.254 24.500 1.00 74.91 N ATOM 47 CA SER A 222 18.430 10.559 25.218 1.00 74.91 C ATOM 48 C SER A 222 19.841 10.936 24.678 1.00 76.99 C ATOM 49 O SER A 222 20.813 10.894 25.447 1.00 77.84 O ATOM 50 CB SER A 222 18.211 9.056 25.100 1.00 78.31 C ATOM 51 OG SER A 222 17.342 8.763 24.016 1.00 89.16 O ATOM 52 HG SER A 222 16.469 9.205 24.166 1.00 0.00 H ATOM 53 H SER A 222 16.856 10.743 23.756 1.00 0.00 H ATOM 54 N LYS A 223 19.940 11.297 23.363 1.00 69.06 N ATOM 55 CA LYS A 223 21.199 11.538 22.649 1.00 66.67 C ATOM 56 C LYS A 223 21.445 12.970 22.197 1.00 69.50 C ATOM 57 O LYS A 223 22.603 13.353 22.064 1.00 69.61 O ATOM 58 CB LYS A 223 21.305 10.595 21.434 1.00 67.34 C ATOM 59 CG LYS A 223 21.081 9.119 21.772 1.00 70.29 C ATOM 60 CD LYS A 223 21.824 8.203 20.834 1.00 78.16 C ATOM 61 CE LYS A 223 21.811 6.783 21.334 1.00 94.48 C ATOM 62 NZ LYS A 223 22.421 5.833 20.361 1.00103.70 N ATOM 63 HZ1 LYS A 223 21.889 5.865 19.468 1.00 0.00 H ATOM 64 HZ2 LYS A 223 23.410 6.104 20.187 1.00 0.00 H ATOM 65 HZ3 LYS A 223 22.388 4.870 20.752 1.00 0.00 H ATOM 66 H LYS A 223 19.055 11.409 22.828 1.00 0.00 H ATOM 67 N LEU A 224 20.375 13.747 21.918 1.00 63.84 N ATOM 68 CA LEU A 224 20.446 15.134 21.434 1.00 61.47 C ATOM 69 C LEU A 224 19.536 16.068 22.210 1.00 66.21 C ATOM 70 O LEU A 224 18.446 15.688 22.616 1.00 66.91 O ATOM 71 CB LEU A 224 20.058 15.151 19.960 1.00 60.65 C ATOM 72 CG LEU A 224 20.347 16.384 19.159 1.00 63.65 C ATOM 73 CD1 LEU A 224 21.765 16.354 18.582 1.00 63.31 C ATOM 74 CD2 LEU A 224 19.336 16.519 18.072 1.00 64.59 C ATOM 75 H LEU A 224 19.431 13.333 22.056 1.00 0.00 H ATOM 76 N TRP A 225 19.992 17.297 22.401 1.00 64.54 N ATOM 77 CA TRP A 225 19.302 18.354 23.117 1.00 64.75 C ATOM 78 C TRP A 225 19.388 19.623 22.303 1.00 64.84 C ATOM 79 O TRP A 225 20.499 20.030 21.961 1.00 64.08 O ATOM 80 CB TRP A 225 19.963 18.584 24.480 1.00 64.97 C ATOM 81 CG TRP A 225 19.531 19.843 25.177 1.00 67.57 C ATOM 82 CD1 TRP A 225 18.263 20.363 25.252 1.00 70.53 C ATOM 83 CD2 TRP A 225 20.368 20.710 25.951 1.00 68.19 C ATOM 84 NE1 TRP A 225 18.270 21.525 25.988 1.00 70.35 N ATOM 85 CE2 TRP A 225 19.549 21.766 26.430 1.00 72.32 C ATOM 86 CE3 TRP A 225 21.733 20.693 26.301 1.00 69.73 C ATOM 87 CZ2 TRP A 225 20.055 22.797 27.236 1.00 71.72 C ATOM 88 CZ3 TRP A 225 22.233 21.712 27.104 1.00 71.53 C ATOM 89 CH2 TRP A 225 21.399 22.745 27.568 1.00 72.25 C ATOM 90 HE1 TRP A 225 17.442 22.124 26.179 1.00 0.00 H ATOM 91 H TRP A 225 20.926 17.524 22.003 1.00 0.00 H ATOM 92 N MET A 226 18.211 20.256 22.028 1.00 57.89 N ATOM 93 CA MET A 226 18.078 21.526 21.312 1.00 56.65 C ATOM 94 C MET A 226 17.950 22.634 22.365 1.00 61.10 C ATOM 95 O MET A 226 16.919 22.740 23.061 1.00 60.48 O ATOM 96 CB MET A 226 16.889 21.507 20.329 1.00 58.06 C ATOM 97 CG MET A 226 16.777 22.759 19.481 1.00 60.48 C ATOM 98 SD MET A 226 15.398 22.770 18.297 1.00 64.30 S ATOM 99 CE MET A 226 14.014 23.129 19.397 1.00 61.14 C ATOM 100 H MET A 226 17.336 19.798 22.354 1.00 0.00 H ATOM 101 N LEU A 227 19.065 23.378 22.534 1.00 57.27 N ATOM 102 CA LEU A 227 19.301 24.494 23.477 1.00 57.65 C ATOM 103 C LEU A 227 18.617 25.795 23.025 1.00 60.68 C ATOM 104 O LEU A 227 18.198 26.590 23.862 1.00 59.99 O ATOM 105 CB LEU A 227 20.822 24.823 23.526 1.00 57.74 C ATOM 106 CG LEU A 227 21.797 23.837 24.134 1.00 61.97 C ATOM 107 CD1 LEU A 227 22.073 22.690 23.216 1.00 61.25 C ATOM 108 CD2 LEU A 227 23.100 24.534 24.430 1.00 64.68 C ATOM 109 H LEU A 227 19.866 23.133 21.918 1.00 0.00 H ATOM 110 N GLU A 228 18.636 26.049 21.704 1.00 56.34 N ATOM 111 CA GLU A 228 18.175 27.259 21.067 1.00 55.99 C ATOM 112 C GLU A 228 17.618 26.953 19.679 1.00 57.95 C ATOM 113 O GLU A 228 18.146 26.094 18.960 1.00 56.19 O ATOM 114 CB GLU A 228 19.372 28.229 20.951 1.00 58.37 C ATOM 115 CG GLU A 228 19.125 29.524 20.174 1.00 79.18 C ATOM 116 CD GLU A 228 20.153 29.897 19.115 1.00112.77 C ATOM 117 OE1 GLU A 228 21.365 29.655 19.335 1.00118.93 O ATOM 118 OE2 GLU A 228 19.744 30.454 18.069 1.00102.68 O ATOM 119 H GLU A 228 19.018 25.305 21.085 1.00 0.00 H ATOM 120 N PHE A 229 16.535 27.680 19.316 1.00 53.57 N ATOM 121 CA PHE A 229 15.872 27.665 18.011 1.00 51.80 C ATOM 122 C PHE A 229 15.285 29.039 17.809 1.00 56.64 C ATOM 123 O PHE A 229 14.698 29.577 18.752 1.00 57.07 O ATOM 124 CB PHE A 229 14.771 26.596 17.927 1.00 51.97 C ATOM 125 CG PHE A 229 14.000 26.596 16.626 1.00 51.86 C ATOM 126 CD1 PHE A 229 14.439 25.850 15.539 1.00 54.33 C ATOM 127 CD2 PHE A 229 12.807 27.309 16.503 1.00 53.23 C ATOM 128 CE1 PHE A 229 13.705 25.817 14.349 1.00 56.30 C ATOM 129 CE2 PHE A 229 12.079 27.293 15.309 1.00 56.19 C ATOM 130 CZ PHE A 229 12.522 26.535 14.242 1.00 55.46 C ATOM 131 H PHE A 229 16.134 28.313 20.037 1.00 0.00 H ATOM 132 N SER A 230 15.433 29.612 16.594 1.00 52.51 N ATOM 133 CA SER A 230 14.886 30.929 16.300 1.00 52.63 C ATOM 134 C SER A 230 14.770 31.248 14.819 1.00 59.43 C ATOM 135 O SER A 230 15.715 31.036 14.075 1.00 60.70 O ATOM 136 CB SER A 230 15.660 32.030 17.022 1.00 56.28 C ATOM 137 OG SER A 230 17.064 31.867 16.924 1.00 70.99 O ATOM 138 HG SER A 230 17.323 31.000 17.326 1.00 0.00 H ATOM 139 H SER A 230 15.950 29.100 15.851 1.00 0.00 H ATOM 140 N ALA A 231 13.601 31.777 14.393 1.00 56.25 N ATOM 141 CA ALA A 231 13.359 32.211 13.016 1.00 54.49 C ATOM 142 C ALA A 231 13.347 33.719 13.078 1.00 55.99 C ATOM 143 O ALA A 231 12.942 34.266 14.100 1.00 55.91 O ATOM 144 CB ALA A 231 12.045 31.680 12.517 1.00 54.84 C ATOM 145 H ALA A 231 12.830 31.882 15.083 1.00 0.00 H ATOM 146 N PHE A 232 13.900 34.392 12.064 1.00 50.66 N ATOM 147 CA PHE A 232 14.073 35.840 12.121 1.00 50.74 C ATOM 148 C PHE A 232 14.218 36.509 10.757 1.00 56.82 C ATOM 149 O PHE A 232 14.575 35.855 9.767 1.00 58.43 O ATOM 150 CB PHE A 232 15.318 36.207 13.000 1.00 51.71 C ATOM 151 CG PHE A 232 16.641 35.734 12.447 1.00 52.31 C ATOM 152 CD1 PHE A 232 17.368 36.525 11.564 1.00 55.09 C ATOM 153 CD2 PHE A 232 17.156 34.491 12.799 1.00 54.77 C ATOM 154 CE1 PHE A 232 18.574 36.077 11.026 1.00 55.57 C ATOM 155 CE2 PHE A 232 18.338 34.017 12.224 1.00 58.02 C ATOM 156 CZ PHE A 232 19.046 34.823 11.354 1.00 56.38 C ATOM 157 H PHE A 232 14.213 33.874 11.218 1.00 0.00 H ATOM 158 N LEU A 233 14.012 37.836 10.752 1.00 51.10 N ATOM 159 CA LEU A 233 14.196 38.720 9.616 1.00 50.89 C ATOM 160 C LEU A 233 15.197 39.785 10.035 1.00 59.34 C ATOM 161 O LEU A 233 14.978 40.482 11.026 1.00 60.68 O ATOM 162 CB LEU A 233 12.874 39.346 9.162 1.00 50.00 C ATOM 163 CG LEU A 233 12.917 40.659 8.385 1.00 52.42 C ATOM 164 CD1 LEU A 233 13.548 40.482 7.030 1.00 52.12 C ATOM 165 CD2 LEU A 233 11.537 41.198 8.219 1.00 52.90 C ATOM 166 H LEU A 233 13.692 38.269 11.642 1.00 0.00 H ATOM 167 N GLU A 234 16.301 39.880 9.290 1.00 57.15 N ATOM 168 CA GLU A 234 17.373 40.820 9.519 1.00 57.87 C ATOM 169 C GLU A 234 17.446 41.814 8.363 1.00 64.67 C ATOM 170 O GLU A 234 17.763 41.422 7.235 1.00 64.62 O ATOM 171 CB GLU A 234 18.700 40.067 9.688 1.00 58.94 C ATOM 172 CG GLU A 234 19.885 40.958 10.004 1.00 62.51 C ATOM 173 CD GLU A 234 21.221 40.264 9.864 1.00 95.42 C ATOM 174 OE1 GLU A 234 21.605 39.970 8.708 1.00 99.72 O ATOM 175 OE2 GLU A 234 21.888 40.027 10.901 1.00 87.70 O ATOM 176 H GLU A 234 16.396 39.229 8.485 1.00 0.00 H ATOM 177 N GLN A 235 17.191 43.099 8.662 1.00 62.90 N ATOM 178 CA GLN A 235 17.239 44.192 7.694 1.00 63.94 C ATOM 179 C GLN A 235 18.460 45.066 7.884 1.00 69.98 C ATOM 180 O GLN A 235 18.792 45.444 9.002 1.00 68.92 O ATOM 181 CB GLN A 235 15.963 45.054 7.753 1.00 66.10 C ATOM 182 CG GLN A 235 14.868 44.630 6.753 1.00 89.07 C ATOM 183 CD GLN A 235 13.457 45.040 7.129 1.00105.50 C ATOM 184 OE1 GLN A 235 13.010 44.873 8.270 1.00104.29 O ATOM 185 NE2 GLN A 235 12.702 45.542 6.162 1.00 91.74 N ATOM 186 HE22 GLN A 235 13.097 45.674 5.209 1.00 0.00 H ATOM 187 HE21 GLN A 235 11.714 45.803 6.356 1.00 0.00 H ATOM 188 H GLN A 235 16.944 43.330 9.645 1.00 0.00 H ATOM 189 N GLN A 236 19.104 45.408 6.777 1.00 69.67 N ATOM 190 CA GLN A 236 20.257 46.267 6.772 1.00 71.79 C ATOM 191 C GLN A 236 19.790 47.712 6.573 1.00 83.69 C ATOM 192 O GLN A 236 19.391 48.094 5.464 1.00 85.51 O ATOM 193 CB GLN A 236 21.250 45.832 5.696 1.00 72.98 C ATOM 194 CG GLN A 236 22.606 46.476 5.892 1.00 84.21 C ATOM 195 CD GLN A 236 23.659 46.059 4.903 1.00104.94 C ATOM 196 OE1 GLN A 236 23.680 44.927 4.392 1.00 98.12 O ATOM 197 NE2 GLN A 236 24.580 46.973 4.636 1.00101.16 N ATOM 198 HE22 GLN A 236 24.528 47.910 5.084 1.00 0.00 H ATOM 199 HE21 GLN A 236 25.355 46.753 3.978 1.00 0.00 H ATOM 200 H GLN A 236 18.759 45.037 5.869 1.00 0.00 H ATOM 201 N GLN A 237 19.806 48.499 7.676 1.00 82.22 N ATOM 202 CA GLN A 237 19.389 49.900 7.723 1.00 82.17 C ATOM 203 C GLN A 237 20.413 50.745 6.981 1.00 90.73 C ATOM 204 O GLN A 237 20.046 51.549 6.125 1.00 91.67 O ATOM 205 CB GLN A 237 19.184 50.388 9.181 1.00 82.51 C ATOM 206 CG GLN A 237 18.185 49.566 10.030 1.00 90.08 C ATOM 207 CD GLN A 237 16.795 49.350 9.432 1.00113.28 C ATOM 208 OE1 GLN A 237 16.330 48.213 9.273 1.00103.18 O ATOM 209 NE2 GLN A 237 16.084 50.430 9.099 1.00113.40 N ATOM 210 HE22 GLN A 237 16.485 51.380 9.237 1.00 0.00 H ATOM 211 HE21 GLN A 237 15.129 50.322 8.701 1.00 0.00 H ATOM 212 H GLN A 237 20.143 48.071 8.562 1.00 0.00 H ATOM 213 N ASP A 238 21.704 50.523 7.282 1.00 88.95 N ATOM 214 CA ASP A 238 22.840 51.198 6.658 1.00 88.63 C ATOM 215 C ASP A 238 24.055 50.231 6.532 1.00 91.61 C ATOM 216 O ASP A 238 23.856 49.017 6.701 1.00 90.59 O ATOM 217 CB ASP A 238 23.154 52.517 7.373 1.00 90.97 C ATOM 218 CG ASP A 238 23.392 52.372 8.849 1.00106.19 C ATOM 219 OD1 ASP A 238 24.413 51.746 9.228 1.00106.15 O ATOM 220 OD2 ASP A 238 22.563 52.892 9.635 1.00114.76 O ATOM 221 H ASP A 238 21.911 49.816 8.016 1.00 0.00 H ATOM 222 N PRO A 239 25.303 50.679 6.214 1.00 87.35 N ATOM 223 CA PRO A 239 26.391 49.691 5.993 1.00 86.54 C ATOM 224 C PRO A 239 26.842 48.871 7.220 1.00 87.36 C ATOM 225 O PRO A 239 27.324 47.737 7.057 1.00 86.70 O ATOM 226 CB PRO A 239 27.520 50.548 5.424 1.00 88.20 C ATOM 227 CG PRO A 239 26.826 51.793 4.890 1.00 92.59 C ATOM 228 CD PRO A 239 25.767 52.046 5.895 1.00 88.14 C ATOM 229 N ASP A 240 26.662 49.451 8.444 1.00 80.19 N ATOM 230 CA ASP A 240 27.021 48.881 9.746 1.00 76.59 C ATOM 231 C ASP A 240 25.850 48.669 10.696 1.00 76.20 C ATOM 232 O ASP A 240 26.090 48.240 11.823 1.00 75.85 O ATOM 233 CB ASP A 240 28.075 49.756 10.429 1.00 77.01 C ATOM 234 CG ASP A 240 29.347 49.943 9.640 1.00 77.90 C ATOM 235 OD1 ASP A 240 29.673 49.066 8.825 1.00 77.79 O ATOM 236 OD2 ASP A 240 30.020 50.960 9.845 1.00 78.95 O ATOM 237 H ASP A 240 26.225 50.395 8.453 1.00 0.00 H ATOM 238 N THR A 241 24.595 48.956 10.269 1.00 69.89 N ATOM 239 CA THR A 241 23.427 48.756 11.134 1.00 67.84 C ATOM 240 C THR A 241 22.470 47.720 10.580 1.00 69.45 C ATOM 241 O THR A 241 22.082 47.762 9.411 1.00 68.68 O ATOM 242 CB THR A 241 22.710 50.054 11.508 1.00 71.49 C ATOM 243 OG1 THR A 241 23.666 51.095 11.806 1.00 62.92 O ATOM 244 CG2 THR A 241 21.723 49.850 12.698 1.00 69.59 C ATOM 245 HG1 THR A 241 24.233 51.259 11.011 1.00 0.00 H ATOM 246 H THR A 241 24.458 49.326 9.307 1.00 0.00 H ATOM 247 N TYR A 242 22.093 46.790 11.464 1.00 64.60 N ATOM 248 CA TYR A 242 21.223 45.654 11.226 1.00 63.07 C ATOM 249 C TYR A 242 20.146 45.537 12.276 1.00 67.00 C ATOM 250 O TYR A 242 20.444 45.402 13.465 1.00 67.43 O ATOM 251 CB TYR A 242 22.055 44.366 11.242 1.00 63.36 C ATOM 252 CG TYR A 242 23.023 44.297 10.087 1.00 64.82 C ATOM 253 CD1 TYR A 242 24.257 44.934 10.149 1.00 66.01 C ATOM 254 CD2 TYR A 242 22.698 43.611 8.923 1.00 66.41 C ATOM 255 CE1 TYR A 242 25.137 44.918 9.068 1.00 66.80 C ATOM 256 CE2 TYR A 242 23.565 43.585 7.837 1.00 68.48 C ATOM 257 CZ TYR A 242 24.793 44.228 7.919 1.00 76.97 C ATOM 258 OH TYR A 242 25.655 44.191 6.851 1.00 79.60 O ATOM 259 HH TYR A 242 25.219 44.601 6.062 1.00 0.00 H ATOM 260 H TYR A 242 22.465 46.893 12.430 1.00 0.00 H ATOM 261 N ASN A 243 18.894 45.531 11.837 1.00 62.47 N ATOM 262 CA ASN A 243 17.770 45.312 12.726 1.00 61.43 C ATOM 263 C ASN A 243 17.361 43.860 12.612 1.00 62.19 C ATOM 264 O ASN A 243 17.257 43.366 11.491 1.00 62.11 O ATOM 265 CB ASN A 243 16.628 46.232 12.361 1.00 66.89 C ATOM 266 CG ASN A 243 16.466 47.324 13.374 1.00 94.85 C ATOM 267 OD1 ASN A 243 15.856 47.116 14.429 1.00104.20 O ATOM 268 ND2 ASN A 243 17.025 48.500 13.093 1.00 72.41 N ATOM 269 HD22 ASN A 243 17.530 48.634 12.194 1.00 0.00 H ATOM 270 HD21 ASN A 243 16.957 49.284 13.773 1.00 0.00 H ATOM 271 H ASN A 243 18.714 45.688 10.825 1.00 0.00 H ATOM 272 N LYS A 244 17.202 43.153 13.751 1.00 56.62 N ATOM 273 CA LYS A 244 16.813 41.737 13.765 1.00 55.96 C ATOM 274 C LYS A 244 15.486 41.588 14.464 1.00 61.68 C ATOM 275 O LYS A 244 15.328 42.070 15.592 1.00 61.67 O ATOM 276 CB LYS A 244 17.853 40.860 14.472 1.00 57.39 C ATOM 277 CG LYS A 244 17.804 39.366 14.128 1.00 49.50 C ATOM 278 CD LYS A 244 18.498 38.584 15.221 1.00 52.83 C ATOM 279 CE LYS A 244 19.778 37.923 14.785 1.00 76.29 C ATOM 280 NZ LYS A 244 20.726 37.703 15.921 1.00 88.67 N ATOM 281 HZ1 LYS A 244 20.968 38.618 16.351 1.00 0.00 H ATOM 282 HZ2 LYS A 244 20.276 37.093 16.633 1.00 0.00 H ATOM 283 HZ3 LYS A 244 21.590 37.246 15.566 1.00 0.00 H ATOM 284 H LYS A 244 17.362 43.633 14.660 1.00 0.00 H ATOM 285 N HIS A 245 14.524 40.935 13.786 1.00 57.23 N ATOM 286 CA HIS A 245 13.216 40.676 14.344 1.00 55.86 C ATOM 287 C HIS A 245 13.081 39.189 14.514 1.00 59.67 C ATOM 288 O HIS A 245 13.212 38.449 13.545 1.00 60.02 O ATOM 289 CB HIS A 245 12.096 41.202 13.443 1.00 56.17 C ATOM 290 CG HIS A 245 10.713 40.854 13.929 1.00 59.23 C ATOM 291 ND1 HIS A 245 10.138 41.509 15.000 1.00 60.68 N ATOM 292 CD2 HIS A 245 9.837 39.942 13.463 1.00 60.51 C ATOM 293 CE1 HIS A 245 8.954 40.960 15.163 1.00 59.37 C ATOM 294 NE2 HIS A 245 8.731 40.010 14.268 1.00 59.86 N ATOM 295 H HIS A 245 14.730 40.604 12.822 1.00 0.00 H ATOM 296 N LEU A 246 12.788 38.759 15.738 1.00 54.54 N ATOM 297 CA LEU A 246 12.536 37.370 16.071 1.00 52.73 C ATOM 298 C LEU A 246 11.046 37.013 15.908 1.00 56.36 C ATOM 299 O LEU A 246 10.176 37.647 16.504 1.00 56.40 O ATOM 300 CB LEU A 246 13.042 37.081 17.487 1.00 52.01 C ATOM 301 CG LEU A 246 14.564 37.200 17.683 1.00 54.99 C ATOM 302 CD1 LEU A 246 14.937 36.839 19.069 1.00 55.61 C ATOM 303 CD2 LEU A 246 15.349 36.316 16.716 1.00 50.75 C ATOM 304 H LEU A 246 12.736 39.462 16.503 1.00 0.00 H ATOM 305 N PHE A 247 10.751 36.039 15.033 1.00 52.77 N ATOM 306 CA PHE A 247 9.380 35.570 14.788 1.00 51.33 C ATOM 307 C PHE A 247 9.006 34.577 15.893 1.00 55.95 C ATOM 308 O PHE A 247 7.996 34.742 16.566 1.00 56.26 O ATOM 309 CB PHE A 247 9.256 34.930 13.395 1.00 51.68 C ATOM 310 CG PHE A 247 9.398 35.887 12.235 1.00 51.83 C ATOM 311 CD1 PHE A 247 8.475 36.909 12.037 1.00 54.30 C ATOM 312 CD2 PHE A 247 10.392 35.706 11.283 1.00 52.98 C ATOM 313 CE1 PHE A 247 8.586 37.779 10.946 1.00 55.05 C ATOM 314 CE2 PHE A 247 10.487 36.556 10.174 1.00 55.89 C ATOM 315 CZ PHE A 247 9.595 37.601 10.023 1.00 54.28 C ATOM 316 H PHE A 247 11.529 35.596 14.504 1.00 0.00 H ATOM 317 N VAL A 248 9.841 33.563 16.081 1.00 52.75 N ATOM 318 CA VAL A 248 9.714 32.513 17.096 1.00 52.95 C ATOM 319 C VAL A 248 11.114 32.265 17.699 1.00 58.91 C ATOM 320 O VAL A 248 12.140 32.461 17.021 1.00 58.74 O ATOM 321 CB VAL A 248 9.090 31.183 16.558 1.00 55.63 C ATOM 322 CG1 VAL A 248 7.635 31.362 16.106 1.00 54.22 C ATOM 323 CG2 VAL A 248 9.956 30.552 15.455 1.00 55.25 C ATOM 324 H VAL A 248 10.664 33.508 15.448 1.00 0.00 H ATOM 325 N HIS A 249 11.141 31.888 18.984 1.00 56.11 N ATOM 326 CA HIS A 249 12.351 31.553 19.712 1.00 56.81 C ATOM 327 C HIS A 249 12.081 30.591 20.861 1.00 63.73 C ATOM 328 O HIS A 249 11.006 30.605 21.465 1.00 66.08 O ATOM 329 CB HIS A 249 13.151 32.799 20.176 1.00 57.82 C ATOM 330 CG HIS A 249 12.341 33.807 20.933 1.00 62.20 C ATOM 331 ND1 HIS A 249 11.983 33.599 22.256 1.00 64.56 N ATOM 332 CD2 HIS A 249 11.829 34.998 20.527 1.00 63.99 C ATOM 333 CE1 HIS A 249 11.236 34.648 22.596 1.00 63.61 C ATOM 334 NE2 HIS A 249 11.104 35.506 21.587 1.00 63.57 N ATOM 335 H HIS A 249 10.236 31.832 19.493 1.00 0.00 H ATOM 336 N ILE A 250 13.033 29.687 21.066 1.00 59.40 N ATOM 337 CA ILE A 250 13.225 28.763 22.176 1.00 58.13 C ATOM 338 C ILE A 250 14.715 29.070 22.528 1.00 62.36 C ATOM 339 O ILE A 250 15.530 29.230 21.604 1.00 61.48 O ATOM 340 CB ILE A 250 13.032 27.296 21.755 1.00 60.60 C ATOM 341 CG1 ILE A 250 11.553 26.934 21.595 1.00 59.78 C ATOM 342 CG2 ILE A 250 13.765 26.329 22.719 1.00 62.54 C ATOM 343 CD1 ILE A 250 11.285 25.453 21.029 1.00 56.86 C ATOM 344 H ILE A 250 13.753 29.630 20.318 1.00 0.00 H ATOM 345 N GLY A 251 15.025 29.217 23.825 1.00 58.37 N ATOM 346 CA GLY A 251 16.372 29.500 24.305 1.00 71.85 C ATOM 347 C GLY A 251 16.476 30.768 25.116 1.00114.93 C ATOM 348 O GLY A 251 16.972 30.733 26.240 1.00 88.60 O ATOM 349 H GLY A 251 14.263 29.124 24.526 1.00 0.00 H TER 350 GLY A 251 ATOM 351 N PRO A 260 7.062 24.097 35.080 1.00102.68 N ATOM 352 CA PRO A 260 7.228 23.149 36.199 1.00102.77 C ATOM 353 C PRO A 260 7.704 21.760 35.753 1.00107.80 C ATOM 354 O PRO A 260 8.562 21.155 36.405 1.00107.23 O ATOM 355 CB PRO A 260 5.831 23.099 36.848 1.00104.54 C ATOM 356 CG PRO A 260 4.900 23.832 35.895 1.00108.90 C ATOM 357 CD PRO A 260 5.765 24.794 35.130 1.00104.19 C ATOM 358 HN2 PRO A 260 7.127 23.573 34.184 1.00 0.00 H ATOM 359 HN1 PRO A 260 7.824 24.803 35.123 1.00 0.00 H ATOM 360 N TYR A 261 7.117 21.265 34.631 1.00104.87 N ATOM 361 CA TYR A 261 7.306 19.973 33.943 1.00103.96 C ATOM 362 C TYR A 261 6.620 20.083 32.559 1.00103.28 C ATOM 363 O TYR A 261 5.734 20.931 32.385 1.00103.52 O ATOM 364 CB TYR A 261 6.656 18.829 34.755 1.00106.40 C ATOM 365 CG TYR A 261 5.155 18.975 34.914 1.00110.63 C ATOM 366 CD1 TYR A 261 4.612 19.695 35.978 1.00113.31 C ATOM 367 CD2 TYR A 261 4.275 18.409 33.990 1.00111.86 C ATOM 368 CE1 TYR A 261 3.231 19.855 36.114 1.00115.25 C ATOM 369 CE2 TYR A 261 2.896 18.576 34.106 1.00113.06 C ATOM 370 CZ TYR A 261 2.377 19.292 35.175 1.00122.96 C ATOM 371 OH TYR A 261 1.015 19.433 35.306 1.00126.20 O ATOM 372 HH TYR A 261 0.816 19.967 36.115 1.00 0.00 H ATOM 373 H TYR A 261 6.423 21.899 34.186 1.00 0.00 H ATOM 374 N LEU A 262 6.974 19.209 31.602 1.00 95.41 N ATOM 375 CA LEU A 262 6.348 19.251 30.273 1.00 93.16 C ATOM 376 C LEU A 262 5.004 18.515 30.221 1.00 95.33 C ATOM 377 O LEU A 262 4.935 17.320 30.543 1.00 95.89 O ATOM 378 CB LEU A 262 7.292 18.722 29.177 1.00 92.46 C ATOM 379 CG LEU A 262 8.567 19.514 28.902 1.00 95.16 C ATOM 380 CD1 LEU A 262 9.506 18.736 28.014 1.00 94.55 C ATOM 381 CD2 LEU A 262 8.262 20.849 28.280 1.00 95.59 C ATOM 382 H LEU A 262 7.701 18.493 31.804 1.00 0.00 H ATOM 383 N GLU A 263 3.936 19.223 29.808 1.00 88.25 N ATOM 384 CA GLU A 263 2.614 18.628 29.655 1.00 86.05 C ATOM 385 C GLU A 263 2.662 17.587 28.527 1.00 89.10 C ATOM 386 O GLU A 263 3.419 17.768 27.579 1.00 88.72 O ATOM 387 CB GLU A 263 1.593 19.710 29.314 1.00 86.94 C ATOM 388 CG GLU A 263 0.775 20.180 30.494 1.00 93.45 C ATOM 389 CD GLU A 263 -0.146 21.344 30.192 1.00108.73 C ATOM 390 OE1 GLU A 263 -1.322 21.299 30.618 1.00106.88 O ATOM 391 OE2 GLU A 263 0.310 22.307 29.535 1.00101.67 O ATOM 392 H GLU A 263 4.059 20.232 29.590 1.00 0.00 H ATOM 393 N ALA A 264 1.875 16.493 28.637 1.00 85.23 N ATOM 394 CA ALA A 264 1.825 15.420 27.641 1.00 83.78 C ATOM 395 C ALA A 264 0.710 15.675 26.662 1.00 86.07 C ATOM 396 O ALA A 264 -0.284 16.314 27.015 1.00 85.76 O ATOM 397 CB ALA A 264 1.619 14.082 28.322 1.00 84.44 C ATOM 398 H ALA A 264 1.269 16.408 29.478 1.00 0.00 H ATOM 399 N VAL A 265 0.879 15.197 25.421 1.00 81.34 N ATOM 400 CA VAL A 265 -0.097 15.365 24.335 1.00 79.79 C ATOM 401 C VAL A 265 -0.282 14.035 23.603 1.00 84.65 C ATOM 402 O VAL A 265 0.700 13.339 23.332 1.00 84.28 O ATOM 403 CB VAL A 265 0.301 16.535 23.378 1.00 81.35 C ATOM 404 CG1 VAL A 265 -0.301 16.382 21.985 1.00 80.48 C ATOM 405 CG2 VAL A 265 -0.088 17.874 23.971 1.00 80.67 C ATOM 406 H VAL A 265 1.755 14.675 25.214 1.00 0.00 H ATOM 407 N ASP A 266 -1.543 13.692 23.282 1.00 82.04 N ATOM 408 CA ASP A 266 -1.862 12.483 22.537 1.00 82.17 C ATOM 409 C ASP A 266 -1.529 12.758 21.083 1.00 84.74 C ATOM 410 O ASP A 266 -2.172 13.600 20.450 1.00 83.95 O ATOM 411 CB ASP A 266 -3.342 12.091 22.700 1.00 84.85 C ATOM 412 CG ASP A 266 -3.641 10.626 22.458 1.00102.10 C ATOM 413 OD1 ASP A 266 -2.758 9.924 21.898 1.00104.18 O ATOM 414 OD2 ASP A 266 -4.764 10.170 22.836 1.00107.60 O ATOM 415 H ASP A 266 -2.321 14.316 23.578 1.00 0.00 H ATOM 416 N ILE A 267 -0.477 12.092 20.576 1.00 80.22 N ATOM 417 CA ILE A 267 -0.013 12.241 19.203 1.00 79.40 C ATOM 418 C ILE A 267 -1.150 12.011 18.186 1.00 86.47 C ATOM 419 O ILE A 267 -1.186 12.710 17.180 1.00 86.10 O ATOM 420 CB ILE A 267 1.245 11.379 18.932 1.00 81.50 C ATOM 421 CG1 ILE A 267 1.964 11.846 17.655 1.00 80.98 C ATOM 422 CG2 ILE A 267 0.935 9.863 18.934 1.00 82.09 C ATOM 423 CD1 ILE A 267 3.315 11.329 17.460 1.00 86.62 C ATOM 424 H ILE A 267 0.034 11.434 21.198 1.00 0.00 H ATOM 425 N ARG A 268 -2.128 11.117 18.488 1.00 86.11 N ATOM 426 CA ARG A 268 -3.238 10.863 17.563 1.00 86.45 C ATOM 427 C ARG A 268 -4.196 12.085 17.438 1.00 91.58 C ATOM 428 O ARG A 268 -5.089 12.062 16.586 1.00 91.61 O ATOM 429 CB ARG A 268 -3.975 9.525 17.827 1.00 84.72 C ATOM 430 CG ARG A 268 -4.596 9.265 19.211 1.00 94.89 C ATOM 431 CD ARG A 268 -5.032 7.801 19.297 1.00 93.79 C ATOM 432 NE ARG A 268 -5.989 7.516 20.368 1.00103.39 N ATOM 433 CZ ARG A 268 -6.744 6.411 20.429 1.00126.06 C ATOM 434 NH1 ARG A 268 -7.582 6.224 21.446 1.00113.31 N ATOM 435 NH2 ARG A 268 -6.669 5.488 19.474 1.00111.07 N ATOM 436 HE ARG A 268 -6.089 8.216 21.130 1.00 0.00 H ATOM 437 HH12 ARG A 268 -8.165 5.364 21.488 1.00 0.00 H ATOM 438 HH11 ARG A 268 -7.653 6.938 22.199 1.00 0.00 H ATOM 439 HH22 ARG A 268 -7.259 4.633 19.529 1.00 0.00 H ATOM 440 HH21 ARG A 268 -6.021 5.621 18.672 1.00 0.00 H ATOM 441 H ARG A 268 -2.089 10.603 19.392 1.00 0.00 H ATOM 442 N GLN A 269 -3.926 13.185 18.182 1.00 87.93 N ATOM 443 CA GLN A 269 -4.719 14.413 18.073 1.00 87.14 C ATOM 444 C GLN A 269 -4.200 15.284 16.950 1.00 89.50 C ATOM 445 O GLN A 269 -4.978 16.050 16.375 1.00 89.85 O ATOM 446 CB GLN A 269 -4.767 15.218 19.387 1.00 88.15 C ATOM 447 CG GLN A 269 -5.377 14.474 20.571 1.00 94.22 C ATOM 448 CD GLN A 269 -6.646 13.729 20.254 1.00101.85 C ATOM 449 OE1 GLN A 269 -7.613 14.294 19.731 1.00 94.69 O ATOM 450 NE2 GLN A 269 -6.669 12.442 20.581 1.00 92.07 N ATOM 451 HE22 GLN A 269 -5.835 12.002 21.020 1.00 0.00 H ATOM 452 HE21 GLN A 269 -7.521 11.874 20.398 1.00 0.00 H ATOM 453 H GLN A 269 -3.131 13.157 18.852 1.00 0.00 H ATOM 454 N ILE A 270 -2.897 15.155 16.622 1.00 83.02 N ATOM 455 CA ILE A 270 -2.240 15.948 15.577 1.00 81.67 C ATOM 456 C ILE A 270 -1.892 15.135 14.310 1.00 89.20 C ATOM 457 O ILE A 270 -1.660 15.746 13.268 1.00 89.15 O ATOM 458 CB ILE A 270 -1.013 16.724 16.126 1.00 82.84 C ATOM 459 CG1 ILE A 270 -0.074 15.844 16.951 1.00 81.53 C ATOM 460 CG2 ILE A 270 -1.470 17.904 16.948 1.00 83.49 C ATOM 461 CD1 ILE A 270 1.212 15.725 16.418 1.00 81.76 C ATOM 462 H ILE A 270 -2.327 14.455 17.139 1.00 0.00 H ATOM 463 N TYR A 271 -1.902 13.778 14.391 1.00 88.17 N ATOM 464 CA TYR A 271 -1.580 12.809 13.323 1.00 88.88 C ATOM 465 C TYR A 271 -1.985 13.223 11.905 1.00 93.30 C ATOM 466 O TYR A 271 -1.127 13.184 11.018 1.00 92.64 O ATOM 467 CB TYR A 271 -2.161 11.403 13.630 1.00 90.72 C ATOM 468 CG TYR A 271 -1.224 10.433 14.335 1.00 93.69 C ATOM 469 CD1 TYR A 271 0.155 10.641 14.342 1.00 96.29 C ATOM 470 CD2 TYR A 271 -1.709 9.272 14.930 1.00 94.59 C ATOM 471 CE1 TYR A 271 1.016 9.764 14.998 1.00 97.61 C ATOM 472 CE2 TYR A 271 -0.857 8.386 15.589 1.00 95.87 C ATOM 473 CZ TYR A 271 0.508 8.633 15.613 1.00107.02 C ATOM 474 OH TYR A 271 1.365 7.752 16.231 1.00111.08 O ATOM 475 HH TYR A 271 2.294 8.086 16.151 1.00 0.00 H ATOM 476 H TYR A 271 -2.167 13.375 15.312 1.00 0.00 H ATOM 477 N ASP A 272 -3.279 13.611 11.694 1.00 90.23 N ATOM 478 CA ASP A 272 -3.817 14.009 10.382 1.00 90.20 C ATOM 479 C ASP A 272 -3.208 15.312 9.828 1.00 94.51 C ATOM 480 O ASP A 272 -3.120 15.446 8.602 1.00 95.47 O ATOM 481 CB ASP A 272 -5.367 14.064 10.356 1.00 92.13 C ATOM 482 CG ASP A 272 -6.106 15.013 11.310 1.00101.81 C ATOM 483 OD1 ASP A 272 -5.538 16.077 11.665 1.00 99.99 O ATOM 484 OD2 ASP A 272 -7.279 14.706 11.668 1.00107.47 O ATOM 485 H ASP A 272 -3.923 13.626 12.510 1.00 0.00 H ATOM 486 N LYS A 273 -2.762 16.244 10.724 1.00 88.60 N ATOM 487 CA LYS A 273 -2.154 17.536 10.377 1.00 87.18 C ATOM 488 C LYS A 273 -0.773 17.374 9.734 1.00 89.66 C ATOM 489 O LYS A 273 -0.237 18.334 9.163 1.00 88.87 O ATOM 490 CB LYS A 273 -2.052 18.453 11.610 1.00 89.07 C ATOM 491 CG LYS A 273 -3.347 19.148 11.984 1.00 89.33 C ATOM 492 CD LYS A 273 -3.085 20.455 12.705 1.00 92.19 C ATOM 493 CE LYS A 273 -3.180 21.624 11.756 1.00106.40 C ATOM 494 NZ LYS A 273 -2.706 22.901 12.370 1.00120.09 N ATOM 495 HZ1 LYS A 273 -3.286 23.119 13.205 1.00 0.00 H ATOM 496 HZ2 LYS A 273 -1.711 22.799 12.654 1.00 0.00 H ATOM 497 HZ3 LYS A 273 -2.793 23.671 11.676 1.00 0.00 H ATOM 498 H LYS A 273 -2.861 16.020 11.735 1.00 0.00 H ATOM 499 N PHE A 274 -0.209 16.161 9.840 1.00 85.48 N ATOM 500 CA PHE A 274 1.097 15.771 9.302 1.00 84.95 C ATOM 501 C PHE A 274 0.941 14.609 8.286 1.00 91.02 C ATOM 502 O PHE A 274 -0.062 13.887 8.342 1.00 89.58 O ATOM 503 CB PHE A 274 2.072 15.431 10.445 1.00 85.48 C ATOM 504 CG PHE A 274 2.348 16.609 11.345 1.00 85.78 C ATOM 505 CD1 PHE A 274 1.522 16.888 12.427 1.00 88.22 C ATOM 506 CD2 PHE A 274 3.409 17.469 11.085 1.00 86.74 C ATOM 507 CE1 PHE A 274 1.762 18.001 13.240 1.00 88.87 C ATOM 508 CE2 PHE A 274 3.657 18.565 11.910 1.00 88.85 C ATOM 509 CZ PHE A 274 2.835 18.821 12.984 1.00 86.85 C ATOM 510 H PHE A 274 -0.747 15.432 10.350 1.00 0.00 H ATOM 511 N PRO A 275 1.872 14.448 7.312 1.00 89.83 N ATOM 512 CA PRO A 275 1.672 13.406 6.292 1.00 90.32 C ATOM 513 C PRO A 275 1.800 11.987 6.800 1.00 95.35 C ATOM 514 O PRO A 275 2.721 11.662 7.552 1.00 94.36 O ATOM 515 CB PRO A 275 2.706 13.742 5.219 1.00 92.07 C ATOM 516 CG PRO A 275 3.759 14.509 5.929 1.00 96.08 C ATOM 517 CD PRO A 275 3.094 15.237 7.047 1.00 91.25 C ATOM 518 N GLU A 276 0.826 11.159 6.413 1.00 93.77 N ATOM 519 CA GLU A 276 0.778 9.750 6.771 1.00 94.18 C ATOM 520 C GLU A 276 1.388 8.996 5.606 1.00 99.24 C ATOM 521 O GLU A 276 0.849 9.018 4.504 1.00 98.89 O ATOM 522 CB GLU A 276 -0.662 9.303 7.097 1.00 95.67 C ATOM 523 CG GLU A 276 -1.118 9.691 8.501 1.00105.30 C ATOM 524 CD GLU A 276 -2.344 10.584 8.597 1.00115.29 C ATOM 525 OE1 GLU A 276 -3.405 10.067 9.016 1.00103.84 O ATOM 526 OE2 GLU A 276 -2.250 11.791 8.268 1.00 98.76 O ATOM 527 H GLU A 276 0.060 11.543 5.823 1.00 0.00 H ATOM 528 N LYS A 277 2.590 8.450 5.832 1.00 97.25 N ATOM 529 CA LYS A 277 3.412 7.723 4.861 1.00 97.43 C ATOM 530 C LYS A 277 4.596 7.066 5.584 1.00101.33 C ATOM 531 O LYS A 277 4.831 7.348 6.765 1.00101.00 O ATOM 532 CB LYS A 277 3.954 8.697 3.793 1.00100.11 C ATOM 533 H LYS A 277 2.978 8.552 6.791 1.00 0.00 H ATOM 534 N LYS A 278 5.338 6.180 4.881 1.00 97.24 N ATOM 535 CA LYS A 278 6.537 5.560 5.437 1.00 96.05 C ATOM 536 C LYS A 278 7.537 6.709 5.475 1.00 97.17 C ATOM 537 O LYS A 278 7.770 7.358 4.448 1.00 96.51 O ATOM 538 CB LYS A 278 7.036 4.372 4.586 1.00 98.21 C ATOM 539 H LYS A 278 5.045 5.933 3.914 1.00 0.00 H ATOM 540 N GLY A 279 7.989 7.027 6.687 1.00 91.93 N ATOM 541 CA GLY A 279 8.883 8.142 6.992 1.00 90.67 C ATOM 542 C GLY A 279 8.133 9.251 7.707 1.00 91.53 C ATOM 543 O GLY A 279 8.751 10.195 8.217 1.00 90.74 O ATOM 544 H GLY A 279 7.680 6.432 7.482 1.00 0.00 H ATOM 545 N GLY A 280 6.792 9.106 7.731 1.00 85.44 N ATOM 546 CA GLY A 280 5.813 10.003 8.343 1.00 83.44 C ATOM 547 C GLY A 280 5.909 10.070 9.848 1.00 83.81 C ATOM 548 O GLY A 280 6.726 9.368 10.448 1.00 83.51 O ATOM 549 H GLY A 280 6.411 8.260 7.261 1.00 0.00 H ATOM 550 N LEU A 281 5.080 10.911 10.474 1.00 78.28 N ATOM 551 CA LEU A 281 5.156 11.105 11.913 1.00 77.80 C ATOM 552 C LEU A 281 4.755 9.855 12.708 1.00 86.21 C ATOM 553 O LEU A 281 5.515 9.453 13.597 1.00 86.67 O ATOM 554 CB LEU A 281 4.387 12.352 12.339 1.00 77.04 C ATOM 555 CG LEU A 281 4.385 12.721 13.817 1.00 80.81 C ATOM 556 CD1 LEU A 281 5.787 12.887 14.372 1.00 81.02 C ATOM 557 CD2 LEU A 281 3.564 13.959 14.047 1.00 82.07 C ATOM 558 H LEU A 281 4.370 11.435 9.923 1.00 0.00 H ATOM 559 N LYS A 282 3.609 9.219 12.358 1.00 85.29 N ATOM 560 CA LYS A 282 3.096 7.987 12.981 1.00 85.67 C ATOM 561 C LYS A 282 4.146 6.876 12.871 1.00 91.17 C ATOM 562 O LYS A 282 4.419 6.194 13.870 1.00 92.26 O ATOM 563 CB LYS A 282 1.769 7.547 12.309 1.00 88.13 C ATOM 564 CG LYS A 282 0.996 6.433 13.029 1.00 96.17 C ATOM 565 CD LYS A 282 0.419 5.408 12.040 1.00105.69 C ATOM 566 CE LYS A 282 -0.901 4.806 12.485 1.00110.08 C ATOM 567 NZ LYS A 282 -1.563 4.041 11.390 1.00112.92 N ATOM 568 HZ1 LYS A 282 -1.749 4.677 10.588 1.00 0.00 H ATOM 569 HZ2 LYS A 282 -0.939 3.267 11.083 1.00 0.00 H ATOM 570 HZ3 LYS A 282 -2.461 3.647 11.737 1.00 0.00 H ATOM 571 H LYS A 282 3.047 9.635 11.588 1.00 0.00 H ATOM 572 N ASP A 283 4.744 6.716 11.654 1.00 85.94 N ATOM 573 CA ASP A 283 5.784 5.725 11.367 1.00 84.51 C ATOM 574 C ASP A 283 7.041 5.986 12.203 1.00 84.40 C ATOM 575 O ASP A 283 7.655 5.031 12.687 1.00 83.35 O ATOM 576 CB ASP A 283 6.110 5.689 9.856 1.00 86.76 C ATOM 577 CG ASP A 283 7.141 4.643 9.427 1.00102.65 C ATOM 578 OD1 ASP A 283 7.198 3.556 10.062 1.00105.74 O ATOM 579 OD2 ASP A 283 7.875 4.899 8.453 1.00107.24 O ATOM 580 H ASP A 283 4.441 7.339 10.879 1.00 0.00 H ATOM 581 N LEU A 284 7.399 7.271 12.405 1.00 78.98 N ATOM 582 CA LEU A 284 8.581 7.624 13.192 1.00 78.44 C ATOM 583 C LEU A 284 8.383 7.425 14.682 1.00 84.25 C ATOM 584 O LEU A 284 9.255 6.843 15.334 1.00 83.33 O ATOM 585 CB LEU A 284 9.075 9.026 12.870 1.00 77.80 C ATOM 586 CG LEU A 284 9.818 9.130 11.554 1.00 81.16 C ATOM 587 CD1 LEU A 284 10.000 10.560 11.152 1.00 80.75 C ATOM 588 CD2 LEU A 284 11.118 8.347 11.586 1.00 82.53 C ATOM 589 H LEU A 284 6.820 8.030 11.991 1.00 0.00 H ATOM 590 N PHE A 285 7.216 7.851 15.207 1.00 82.62 N ATOM 591 CA PHE A 285 6.834 7.662 16.609 1.00 83.21 C ATOM 592 C PHE A 285 6.823 6.162 16.984 1.00 89.33 C ATOM 593 O PHE A 285 7.412 5.772 17.999 1.00 88.92 O ATOM 594 CB PHE A 285 5.456 8.303 16.899 1.00 84.59 C ATOM 595 CG PHE A 285 5.089 8.259 18.366 1.00 85.27 C ATOM 596 CD1 PHE A 285 5.581 9.214 19.252 1.00 87.11 C ATOM 597 CD2 PHE A 285 4.281 7.245 18.867 1.00 86.35 C ATOM 598 CE1 PHE A 285 5.276 9.155 20.609 1.00 87.70 C ATOM 599 CE2 PHE A 285 3.979 7.184 20.228 1.00 89.08 C ATOM 600 CZ PHE A 285 4.473 8.144 21.087 1.00 87.54 C ATOM 601 H PHE A 285 6.548 8.343 14.580 1.00 0.00 H ATOM 602 N GLU A 286 6.161 5.335 16.150 1.00 87.35 N ATOM 603 CA GLU A 286 6.052 3.889 16.357 1.00 88.11 C ATOM 604 C GLU A 286 7.408 3.152 16.303 1.00 91.68 C ATOM 605 O GLU A 286 7.521 2.071 16.888 1.00 92.44 O ATOM 606 CB GLU A 286 5.036 3.270 15.386 1.00 89.77 C ATOM 607 CG GLU A 286 3.585 3.565 15.747 1.00103.21 C ATOM 608 CD GLU A 286 2.521 3.359 14.677 1.00123.94 C ATOM 609 OE1 GLU A 286 2.809 2.744 13.621 1.00116.27 O ATOM 610 OE2 GLU A 286 1.380 3.818 14.912 1.00112.55 O ATOM 611 H GLU A 286 5.702 5.747 15.313 1.00 0.00 H ATOM 612 N ARG A 287 8.429 3.738 15.630 1.00 85.82 N ATOM 613 CA ARG A 287 9.763 3.139 15.525 1.00 84.37 C ATOM 614 C ARG A 287 10.681 3.575 16.684 1.00 86.07 C ATOM 615 O ARG A 287 11.668 2.887 16.975 1.00 86.27 O ATOM 616 CB ARG A 287 10.392 3.384 14.136 1.00 83.18 C ATOM 617 H ARG A 287 8.258 4.654 15.167 1.00 0.00 H ATOM 618 N GLY A 288 10.320 4.683 17.342 1.00 79.72 N ATOM 619 CA GLY A 288 11.011 5.229 18.508 1.00 78.58 C ATOM 620 C GLY A 288 12.328 5.955 18.266 1.00 82.36 C ATOM 621 O GLY A 288 12.767 6.113 17.114 1.00 82.39 O ATOM 622 H GLY A 288 9.483 5.195 16.997 1.00 0.00 H ATOM 623 N PRO A 289 13.011 6.414 19.349 1.00 77.28 N ATOM 624 CA PRO A 289 12.632 6.338 20.773 1.00 76.89 C ATOM 625 C PRO A 289 11.563 7.370 21.100 1.00 82.97 C ATOM 626 O PRO A 289 11.656 8.514 20.645 1.00 81.79 O ATOM 627 CB PRO A 289 13.953 6.629 21.509 1.00 78.23 C ATOM 628 CG PRO A 289 15.033 6.674 20.441 1.00 82.32 C ATOM 629 CD PRO A 289 14.314 7.078 19.200 1.00 77.97 C ATOM 630 N SER A 290 10.532 6.965 21.864 1.00 81.74 N ATOM 631 CA SER A 290 9.419 7.853 22.235 1.00 81.94 C ATOM 632 C SER A 290 9.843 9.093 23.058 1.00 83.96 C ATOM 633 O SER A 290 9.094 10.081 23.088 1.00 84.87 O ATOM 634 CB SER A 290 8.320 7.072 22.942 1.00 86.96 C ATOM 635 OG SER A 290 7.845 6.028 22.103 1.00102.07 O ATOM 636 HG SER A 290 7.132 5.528 22.573 1.00 0.00 H ATOM 637 H SER A 290 10.521 5.983 22.207 1.00 0.00 H ATOM 638 N ASN A 291 11.060 9.065 23.664 1.00 76.83 N ATOM 639 CA ASN A 291 11.598 10.170 24.468 1.00 75.31 C ATOM 640 C ASN A 291 12.099 11.353 23.644 1.00 77.45 C ATOM 641 O ASN A 291 12.446 12.389 24.221 1.00 78.36 O ATOM 642 CB ASN A 291 12.687 9.681 25.444 1.00 73.87 C ATOM 643 CG ASN A 291 14.043 9.286 24.877 1.00 94.97 C ATOM 644 OD1 ASN A 291 14.310 9.255 23.657 1.00 83.35 O ATOM 645 ND2 ASN A 291 14.948 8.969 25.789 1.00 89.05 N ATOM 646 HD22 ASN A 291 14.702 9.002 26.799 1.00 0.00 H ATOM 647 HD21 ASN A 291 15.905 8.687 25.496 1.00 0.00 H ATOM 648 H ASN A 291 11.644 8.212 23.552 1.00 0.00 H ATOM 649 N ALA A 292 12.145 11.191 22.299 1.00 71.52 N ATOM 650 CA ALA A 292 12.633 12.164 21.307 1.00 69.51 C ATOM 651 C ALA A 292 11.524 12.981 20.605 1.00 69.88 C ATOM 652 O ALA A 292 11.843 13.853 19.797 1.00 68.46 O ATOM 653 CB ALA A 292 13.490 11.442 20.270 1.00 70.01 C ATOM 654 H ALA A 292 11.799 10.283 21.928 1.00 0.00 H ATOM 655 N PHE A 293 10.233 12.713 20.927 1.00 64.77 N ATOM 656 CA PHE A 293 9.061 13.370 20.332 1.00 63.01 C ATOM 657 C PHE A 293 8.487 14.498 21.174 1.00 67.65 C ATOM 658 O PHE A 293 8.168 14.316 22.353 1.00 69.01 O ATOM 659 CB PHE A 293 7.985 12.336 19.973 1.00 63.74 C ATOM 660 CG PHE A 293 8.503 11.454 18.869 1.00 64.49 C ATOM 661 CD1 PHE A 293 9.378 10.414 19.143 1.00 67.14 C ATOM 662 CD2 PHE A 293 8.199 11.726 17.543 1.00 66.22 C ATOM 663 CE1 PHE A 293 9.924 9.655 18.113 1.00 68.47 C ATOM 664 CE2 PHE A 293 8.739 10.956 16.517 1.00 68.71 C ATOM 665 CZ PHE A 293 9.613 9.941 16.807 1.00 66.92 C ATOM 666 H PHE A 293 10.060 11.987 21.651 1.00 0.00 H ATOM 667 N PHE A 294 8.378 15.676 20.555 1.00 62.43 N ATOM 668 CA PHE A 294 7.844 16.886 21.173 1.00 61.01 C ATOM 669 C PHE A 294 6.905 17.564 20.217 1.00 62.89 C ATOM 670 O PHE A 294 7.029 17.418 18.995 1.00 63.22 O ATOM 671 CB PHE A 294 8.975 17.887 21.561 1.00 62.01 C ATOM 672 CG PHE A 294 9.930 17.338 22.590 1.00 62.81 C ATOM 673 CD1 PHE A 294 9.682 17.502 23.948 1.00 65.65 C ATOM 674 CD2 PHE A 294 11.053 16.615 22.204 1.00 64.08 C ATOM 675 CE1 PHE A 294 10.531 16.937 24.904 1.00 66.35 C ATOM 676 CE2 PHE A 294 11.897 16.045 23.159 1.00 66.97 C ATOM 677 CZ PHE A 294 11.632 16.211 24.503 1.00 65.28 C ATOM 678 H PHE A 294 8.695 15.736 19.566 1.00 0.00 H ATOM 679 N LEU A 295 5.984 18.332 20.779 1.00 56.22 N ATOM 680 CA LEU A 295 5.075 19.169 20.034 1.00 54.92 C ATOM 681 C LEU A 295 5.305 20.583 20.568 1.00 57.11 C ATOM 682 O LEU A 295 5.220 20.809 21.783 1.00 56.02 O ATOM 683 CB LEU A 295 3.608 18.713 20.186 1.00 54.70 C ATOM 684 CG LEU A 295 2.549 19.710 19.707 1.00 59.58 C ATOM 685 CD1 LEU A 295 2.493 19.771 18.204 1.00 60.15 C ATOM 686 CD2 LEU A 295 1.188 19.367 20.271 1.00 62.28 C ATOM 687 H LEU A 295 5.912 18.332 21.816 1.00 0.00 H ATOM 688 N VAL A 296 5.678 21.510 19.675 1.00 53.30 N ATOM 689 CA VAL A 296 5.922 22.897 20.065 1.00 53.19 C ATOM 690 C VAL A 296 4.777 23.773 19.497 1.00 59.86 C ATOM 691 O VAL A 296 4.567 23.800 18.279 1.00 60.49 O ATOM 692 CB VAL A 296 7.365 23.425 19.709 1.00 55.08 C ATOM 693 CG1 VAL A 296 7.519 24.910 20.021 1.00 54.67 C ATOM 694 CG2 VAL A 296 8.462 22.635 20.414 1.00 54.06 C ATOM 695 H VAL A 296 5.797 21.235 18.679 1.00 0.00 H ATOM 696 N LYS A 297 4.011 24.430 20.399 1.00 56.12 N ATOM 697 CA LYS A 297 2.963 25.408 20.070 1.00 54.56 C ATOM 698 C LYS A 297 3.672 26.775 20.180 1.00 62.30 C ATOM 699 O LYS A 297 4.177 27.120 21.259 1.00 62.75 O ATOM 700 CB LYS A 297 1.798 25.354 21.070 1.00 53.01 C ATOM 701 CG LYS A 297 0.452 25.709 20.451 1.00 59.77 C ATOM 702 CD LYS A 297 0.289 27.174 20.035 1.00 70.37 C ATOM 703 CE LYS A 297 -0.837 27.438 19.066 1.00 72.20 C ATOM 704 NZ LYS A 297 -2.183 27.323 19.703 1.00 76.61 N ATOM 705 HZ1 LYS A 297 -2.305 26.362 20.081 1.00 0.00 H ATOM 706 HZ2 LYS A 297 -2.259 28.013 20.477 1.00 0.00 H ATOM 707 HZ3 LYS A 297 -2.919 27.514 18.993 1.00 0.00 H ATOM 708 H LYS A 297 4.177 24.227 21.405 1.00 0.00 H ATOM 709 N PHE A 298 3.751 27.515 19.061 1.00 58.39 N ATOM 710 CA PHE A 298 4.379 28.825 18.984 1.00 57.23 C ATOM 711 C PHE A 298 3.327 29.904 18.728 1.00 62.83 C ATOM 712 O PHE A 298 2.413 29.701 17.942 1.00 63.60 O ATOM 713 CB PHE A 298 5.374 28.851 17.801 1.00 58.68 C ATOM 714 CG PHE A 298 6.822 28.445 18.015 1.00 60.57 C ATOM 715 CD1 PHE A 298 7.554 28.951 19.082 1.00 63.89 C ATOM 716 CD2 PHE A 298 7.490 27.677 17.073 1.00 62.88 C ATOM 717 CE1 PHE A 298 8.893 28.608 19.258 1.00 65.06 C ATOM 718 CE2 PHE A 298 8.833 27.343 17.245 1.00 66.12 C ATOM 719 CZ PHE A 298 9.533 27.825 18.328 1.00 64.24 C ATOM 720 H PHE A 298 3.335 27.125 18.191 1.00 0.00 H ATOM 721 N TRP A 299 3.495 31.068 19.345 1.00 60.24 N ATOM 722 CA TRP A 299 2.716 32.285 19.118 1.00 59.20 C ATOM 723 C TRP A 299 3.766 33.207 18.506 1.00 59.37 C ATOM 724 O TRP A 299 4.622 33.713 19.233 1.00 58.00 O ATOM 725 CB TRP A 299 2.206 32.869 20.441 1.00 58.70 C ATOM 726 CG TRP A 299 0.922 32.251 20.861 1.00 60.72 C ATOM 727 CD1 TRP A 299 -0.335 32.600 20.442 1.00 64.01 C ATOM 728 CD2 TRP A 299 0.766 31.099 21.697 1.00 60.96 C ATOM 729 NE1 TRP A 299 -1.267 31.740 20.974 1.00 64.04 N ATOM 730 CE2 TRP A 299 -0.619 30.804 21.750 1.00 65.97 C ATOM 731 CE3 TRP A 299 1.660 30.294 22.422 1.00 62.08 C ATOM 732 CZ2 TRP A 299 -1.130 29.759 22.537 1.00 65.27 C ATOM 733 CZ3 TRP A 299 1.161 29.241 23.166 1.00 63.62 C ATOM 734 CH2 TRP A 299 -0.217 28.987 23.230 1.00 64.92 C ATOM 735 HE1 TRP A 299 -2.294 31.788 20.816 1.00 0.00 H ATOM 736 H TRP A 299 4.252 31.119 20.057 1.00 0.00 H ATOM 737 N ALA A 300 3.782 33.317 17.164 1.00 53.53 N ATOM 738 CA ALA A 300 4.784 34.082 16.429 1.00 52.28 C ATOM 739 C ALA A 300 4.568 35.610 16.423 1.00 57.63 C ATOM 740 O ALA A 300 3.424 36.109 16.337 1.00 54.43 O ATOM 741 CB ALA A 300 4.922 33.560 15.008 1.00 52.55 C ATOM 742 H ALA A 300 3.040 32.830 16.622 1.00 0.00 H ATOM 743 N ASP A 301 5.705 36.348 16.531 1.00 55.08 N ATOM 744 CA ASP A 301 5.701 37.799 16.495 1.00 55.65 C ATOM 745 C ASP A 301 5.791 38.219 15.050 1.00 63.70 C ATOM 746 O ASP A 301 6.751 37.906 14.356 1.00 65.51 O ATOM 747 CB ASP A 301 6.837 38.405 17.318 1.00 57.09 C ATOM 748 CG ASP A 301 6.774 39.909 17.440 1.00 65.10 C ATOM 749 OD1 ASP A 301 5.827 40.518 16.882 1.00 64.99 O ATOM 750 OD2 ASP A 301 7.674 40.487 18.072 1.00 73.49 O ATOM 751 H ASP A 301 6.613 35.853 16.644 1.00 0.00 H ATOM 752 N LEU A 302 4.756 38.877 14.591 1.00 61.82 N ATOM 753 CA LEU A 302 4.624 39.309 13.220 1.00 62.03 C ATOM 754 C LEU A 302 4.607 40.854 13.158 1.00 68.90 C ATOM 755 O LEU A 302 4.317 41.422 12.102 1.00 69.38 O ATOM 756 CB LEU A 302 3.329 38.673 12.671 1.00 61.72 C ATOM 757 CG LEU A 302 3.422 37.426 11.758 1.00 65.41 C ATOM 758 CD1 LEU A 302 4.369 36.348 12.286 1.00 65.32 C ATOM 759 CD2 LEU A 302 2.056 36.830 11.548 1.00 65.95 C ATOM 760 H LEU A 302 3.985 39.101 15.252 1.00 0.00 H ATOM 761 N ASN A 303 4.955 41.541 14.271 1.00 66.29 N ATOM 762 CA ASN A 303 5.001 42.990 14.214 1.00 67.87 C ATOM 763 C ASN A 303 6.358 43.418 13.655 1.00 78.77 C ATOM 764 O ASN A 303 7.326 43.548 14.415 1.00 79.41 O ATOM 765 CB ASN A 303 4.663 43.660 15.560 1.00 66.77 C ATOM 766 CG ASN A 303 4.372 45.145 15.416 1.00 88.58 C ATOM 767 OD1 ASN A 303 4.874 45.975 16.182 1.00 77.31 O ATOM 768 ND2 ASN A 303 3.562 45.521 14.412 1.00 83.88 N ATOM 769 HD22 ASN A 303 3.151 44.805 13.780 1.00 0.00 H ATOM 770 HD21 ASN A 303 3.346 46.528 14.267 1.00 0.00 H ATOM 771 H ASN A 303 5.185 41.039 15.152 1.00 0.00 H ATOM 772 N THR A 304 6.436 43.571 12.304 1.00 78.76 N ATOM 773 CA THR A 304 7.667 43.929 11.594 1.00 80.35 C ATOM 774 C THR A 304 7.403 44.641 10.246 1.00 88.81 C ATOM 775 O THR A 304 6.309 44.529 9.684 1.00 88.68 O ATOM 776 CB THR A 304 8.597 42.693 11.448 1.00 92.36 C ATOM 777 OG1 THR A 304 9.941 43.125 11.188 1.00 92.86 O ATOM 778 CG2 THR A 304 8.108 41.682 10.396 1.00 92.02 C ATOM 779 HG1 THR A 304 10.529 42.334 11.096 1.00 0.00 H ATOM 780 H THR A 304 5.572 43.425 11.744 1.00 0.00 H ATOM 781 N ASN A 305 8.439 45.370 9.739 1.00 88.24 N ATOM 782 CA ASN A 305 8.423 46.117 8.476 1.00119.08 C ATOM 783 C ASN A 305 9.370 45.468 7.458 1.00148.74 C ATOM 784 O ASN A 305 9.018 44.478 6.812 1.00110.08 O ATOM 785 CB ASN A 305 8.839 47.570 8.719 1.00118.73 C ATOM 786 CG ASN A 305 7.780 48.443 9.364 1.00133.16 C ATOM 787 OD1 ASN A 305 7.123 49.251 8.699 1.00119.37 O ATOM 788 ND2 ASN A 305 7.608 48.328 10.679 1.00125.40 N ATOM 789 HD22 ASN A 305 8.172 47.641 11.219 1.00 0.00 H ATOM 790 HD21 ASN A 305 6.910 48.925 11.166 1.00 0.00 H ATOM 791 H ASN A 305 9.317 45.399 10.296 1.00 0.00 H TER 792 ASN A 305 ATOM 793 N SER A 311 18.792 44.362 1.414 1.00 74.37 N ATOM 794 CA SER A 311 18.479 44.788 2.769 1.00 73.88 C ATOM 795 C SER A 311 17.997 43.625 3.670 1.00 76.48 C ATOM 796 O SER A 311 18.682 43.348 4.659 1.00 78.05 O ATOM 797 CB SER A 311 17.500 45.960 2.765 1.00 78.41 C ATOM 798 OG SER A 311 16.279 45.598 2.140 1.00 89.25 O ATOM 799 HG SER A 311 15.662 46.372 2.150 1.00 0.00 H ATOM 800 HN3 SER A 311 17.943 43.952 0.976 1.00 0.00 H ATOM 801 HN2 SER A 311 19.548 43.648 1.442 1.00 0.00 H ATOM 802 HN1 SER A 311 19.109 45.182 0.858 1.00 0.00 H ATOM 803 N SER A 312 16.889 42.899 3.307 1.00 69.07 N ATOM 804 CA SER A 312 16.329 41.778 4.108 1.00 66.83 C ATOM 805 C SER A 312 16.982 40.379 3.958 1.00 65.66 C ATOM 806 O SER A 312 17.282 39.948 2.847 1.00 65.16 O ATOM 807 CB SER A 312 14.837 41.622 3.837 1.00 70.84 C ATOM 808 OG SER A 312 14.140 42.825 4.111 1.00 85.71 O ATOM 809 HG SER A 312 13.176 42.696 3.927 1.00 0.00 H ATOM 810 H SER A 312 16.412 43.149 2.417 1.00 0.00 H ATOM 811 N PHE A 313 17.098 39.646 5.094 1.00 58.71 N ATOM 812 CA PHE A 313 17.520 38.241 5.217 1.00 56.90 C ATOM 813 C PHE A 313 16.533 37.467 6.130 1.00 59.31 C ATOM 814 O PHE A 313 16.331 37.873 7.266 1.00 59.66 O ATOM 815 CB PHE A 313 18.992 38.084 5.745 1.00 58.25 C ATOM 816 CG PHE A 313 19.451 36.644 5.934 1.00 58.79 C ATOM 817 CD1 PHE A 313 19.794 35.853 4.840 1.00 60.25 C ATOM 818 CD2 PHE A 313 19.447 36.052 7.195 1.00 60.62 C ATOM 819 CE1 PHE A 313 20.090 34.497 5.002 1.00 59.54 C ATOM 820 CE2 PHE A 313 19.766 34.696 7.353 1.00 61.87 C ATOM 821 CZ PHE A 313 20.084 33.935 6.257 1.00 58.84 C ATOM 822 H PHE A 313 16.861 40.134 5.981 1.00 0.00 H ATOM 823 N TYR A 314 15.962 36.342 5.667 1.00 54.07 N ATOM 824 CA TYR A 314 15.117 35.524 6.539 1.00 53.95 C ATOM 825 C TYR A 314 15.928 34.243 6.869 1.00 58.36 C ATOM 826 O TYR A 314 16.420 33.560 5.950 1.00 56.69 O ATOM 827 CB TYR A 314 13.761 35.176 5.891 1.00 55.18 C ATOM 828 CG TYR A 314 12.791 36.313 5.692 1.00 56.24 C ATOM 829 CD1 TYR A 314 12.955 37.221 4.647 1.00 57.77 C ATOM 830 CD2 TYR A 314 11.654 36.429 6.486 1.00 57.00 C ATOM 831 CE1 TYR A 314 12.038 38.243 4.426 1.00 58.23 C ATOM 832 CE2 TYR A 314 10.727 37.455 6.279 1.00 58.08 C ATOM 833 CZ TYR A 314 10.920 38.357 5.242 1.00 68.02 C ATOM 834 OH TYR A 314 10.005 39.366 5.007 1.00 72.75 O ATOM 835 HH TYR A 314 10.304 39.908 4.234 1.00 0.00 H ATOM 836 H TYR A 314 16.122 36.050 4.682 1.00 0.00 H ATOM 837 N GLY A 315 16.076 33.950 8.162 1.00 55.71 N ATOM 838 CA GLY A 315 16.921 32.849 8.604 1.00 56.02 C ATOM 839 C GLY A 315 16.508 32.109 9.850 1.00 62.44 C ATOM 840 O GLY A 315 15.702 32.588 10.641 1.00 61.76 O ATOM 841 H GLY A 315 15.576 34.522 8.872 1.00 0.00 H ATOM 842 N VAL A 316 17.027 30.894 9.990 1.00 61.73 N ATOM 843 CA VAL A 316 16.747 30.011 11.116 1.00 62.01 C ATOM 844 C VAL A 316 18.069 29.577 11.709 1.00 67.72 C ATOM 845 O VAL A 316 18.954 29.137 10.979 1.00 67.50 O ATOM 846 CB VAL A 316 15.873 28.802 10.727 1.00 65.59 C ATOM 847 CG1 VAL A 316 15.303 28.126 11.967 1.00 65.09 C ATOM 848 CG2 VAL A 316 14.752 29.225 9.795 1.00 65.90 C ATOM 849 H VAL A 316 17.673 30.551 9.251 1.00 0.00 H ATOM 850 N SER A 317 18.230 29.762 13.015 1.00 66.00 N ATOM 851 CA SER A 317 19.454 29.373 13.700 1.00 66.74 C ATOM 852 C SER A 317 19.090 28.452 14.841 1.00 72.29 C ATOM 853 O SER A 317 18.156 28.744 15.596 1.00 74.15 O ATOM 854 CB SER A 317 20.230 30.593 14.179 1.00 71.00 C ATOM 855 OG SER A 317 20.828 31.304 13.102 1.00 81.41 O ATOM 856 HG SER A 317 21.320 32.086 13.457 1.00 0.00 H ATOM 857 H SER A 317 17.460 30.197 13.563 1.00 0.00 H ATOM 858 N SER A 318 19.725 27.278 14.884 1.00 66.40 N ATOM 859 CA SER A 318 19.477 26.290 15.936 1.00 64.56 C ATOM 860 C SER A 318 20.805 25.764 16.556 1.00 65.02 C ATOM 861 O SER A 318 21.885 25.818 15.948 1.00 62.30 O ATOM 862 CB SER A 318 18.531 25.171 15.487 1.00 64.25 C ATOM 863 OG SER A 318 18.821 24.683 14.187 1.00 67.80 O ATOM 864 HG SER A 318 18.180 23.966 13.954 1.00 0.00 H ATOM 865 H SER A 318 20.421 27.057 14.143 1.00 0.00 H ATOM 866 N GLN A 319 20.715 25.362 17.818 1.00 60.45 N ATOM 867 CA GLN A 319 21.859 24.880 18.534 1.00 60.15 C ATOM 868 C GLN A 319 21.479 23.618 19.276 1.00 63.31 C ATOM 869 O GLN A 319 20.521 23.609 20.047 1.00 63.50 O ATOM 870 CB GLN A 319 22.381 25.970 19.470 1.00 62.04 C ATOM 871 CG GLN A 319 23.700 25.629 20.168 1.00 83.26 C ATOM 872 CD GLN A 319 24.864 26.410 19.627 1.00100.34 C ATOM 873 OE1 GLN A 319 24.732 27.584 19.233 1.00 99.34 O ATOM 874 NE2 GLN A 319 26.035 25.774 19.626 1.00 84.63 N ATOM 875 HE22 GLN A 319 26.094 24.793 19.965 1.00 0.00 H ATOM 876 HE21 GLN A 319 26.890 26.259 19.286 1.00 0.00 H ATOM 877 H GLN A 319 19.793 25.398 18.298 1.00 0.00 H ATOM 878 N TYR A 320 22.216 22.540 19.004 1.00 59.04 N ATOM 879 CA TYR A 320 22.064 21.235 19.641 1.00 58.58 C ATOM 880 C TYR A 320 23.359 20.861 20.350 1.00 61.65 C ATOM 881 O TYR A 320 24.442 21.299 19.957 1.00 59.66 O ATOM 882 CB TYR A 320 21.714 20.140 18.622 1.00 59.86 C ATOM 883 CG TYR A 320 20.644 20.535 17.628 1.00 62.13 C ATOM 884 CD1 TYR A 320 20.963 21.259 16.479 1.00 63.94 C ATOM 885 CD2 TYR A 320 19.316 20.186 17.831 1.00 63.05 C ATOM 886 CE1 TYR A 320 19.987 21.612 15.555 1.00 65.00 C ATOM 887 CE2 TYR A 320 18.326 20.559 16.927 1.00 64.30 C ATOM 888 CZ TYR A 320 18.667 21.264 15.784 1.00 73.80 C ATOM 889 OH TYR A 320 17.695 21.607 14.873 1.00 78.53 O ATOM 890 HH TYR A 320 18.108 22.103 14.123 1.00 0.00 H ATOM 891 H TYR A 320 22.957 22.637 18.281 1.00 0.00 H ATOM 892 N GLU A 321 23.227 20.044 21.396 1.00 60.40 N ATOM 893 CA GLU A 321 24.313 19.469 22.189 1.00 60.56 C ATOM 894 C GLU A 321 24.070 17.961 22.346 1.00 64.74 C ATOM 895 O GLU A 321 22.933 17.526 22.516 1.00 61.38 O ATOM 896 CB GLU A 321 24.386 20.120 23.560 1.00 61.79 C ATOM 897 CG GLU A 321 25.788 20.384 24.043 1.00 71.90 C ATOM 898 CD GLU A 321 25.745 21.041 25.403 1.00 92.92 C ATOM 899 OE1 GLU A 321 25.766 20.293 26.409 1.00 95.83 O ATOM 900 OE2 GLU A 321 25.647 22.292 25.465 1.00 71.81 O ATOM 901 H GLU A 321 22.257 19.791 21.675 1.00 0.00 H ATOM 902 N SER A 322 25.149 17.176 22.302 1.00 65.60 N ATOM 903 CA SER A 322 25.111 15.711 22.424 1.00 66.44 C ATOM 904 C SER A 322 26.227 15.228 23.342 1.00 72.87 C ATOM 905 O SER A 322 27.287 15.838 23.343 1.00 73.86 O ATOM 906 CB SER A 322 25.292 15.083 21.047 1.00 69.75 C ATOM 907 OG SER A 322 25.159 13.677 21.085 1.00 85.50 O ATOM 908 HG SER A 322 24.257 13.441 21.417 1.00 0.00 H ATOM 909 H SER A 322 26.076 17.630 22.173 1.00 0.00 H ATOM 910 N PRO A 323 26.079 14.138 24.113 1.00 71.28 N ATOM 911 CA PRO A 323 27.237 13.668 24.895 1.00 71.82 C ATOM 912 C PRO A 323 28.206 12.864 24.021 1.00 78.41 C ATOM 913 O PRO A 323 29.345 12.631 24.418 1.00 80.01 O ATOM 914 CB PRO A 323 26.608 12.802 25.994 1.00 73.17 C ATOM 915 CG PRO A 323 25.116 12.710 25.666 1.00 77.29 C ATOM 916 CD PRO A 323 24.916 13.245 24.293 1.00 72.84 C ATOM 917 N GLU A 324 27.747 12.444 22.829 1.00 75.11 N ATOM 918 CA GLU A 324 28.491 11.638 21.867 1.00 74.81 C ATOM 919 C GLU A 324 28.688 12.359 20.527 1.00 76.91 C ATOM 920 O GLU A 324 27.837 13.139 20.109 1.00 76.55 O ATOM 921 CB GLU A 324 27.831 10.247 21.691 1.00 76.77 C ATOM 922 CG GLU A 324 26.348 10.240 21.307 1.00 92.27 C ATOM 923 CD GLU A 324 25.755 8.849 21.121 1.00126.10 C ATOM 924 OE1 GLU A 324 26.144 8.151 20.155 1.00121.10 O ATOM 925 OE2 GLU A 324 24.895 8.459 21.945 1.00121.89 O ATOM 926 H GLU A 324 26.778 12.717 22.570 1.00 0.00 H ATOM 927 N ASN A 325 29.833 12.121 19.878 1.00 72.93 N ATOM 928 CA ASN A 325 30.189 12.706 18.586 1.00 72.01 C ATOM 929 C ASN A 325 29.400 11.992 17.516 1.00 75.54 C ATOM 930 O ASN A 325 29.421 10.769 17.448 1.00 75.81 O ATOM 931 CB ASN A 325 31.691 12.564 18.342 1.00 70.28 C ATOM 932 CG ASN A 325 32.201 12.922 16.965 1.00 85.66 C ATOM 933 OD1 ASN A 325 31.569 13.636 16.166 1.00 77.46 O ATOM 934 ND2 ASN A 325 33.389 12.431 16.673 1.00 77.59 N ATOM 935 HD22 ASN A 325 33.891 11.837 17.364 1.00 0.00 H ATOM 936 HD21 ASN A 325 33.825 12.637 15.752 1.00 0.00 H ATOM 937 H ASN A 325 30.517 11.476 20.323 1.00 0.00 H ATOM 938 N MET A 326 28.665 12.751 16.710 1.00 71.99 N ATOM 939 CA MET A 326 27.821 12.211 15.638 1.00 71.20 C ATOM 940 C MET A 326 27.819 13.173 14.433 1.00 73.05 C ATOM 941 O MET A 326 28.288 14.315 14.531 1.00 72.89 O ATOM 942 CB MET A 326 26.352 12.058 16.121 1.00 73.70 C ATOM 943 CG MET A 326 26.161 11.355 17.470 1.00 77.21 C ATOM 944 SD MET A 326 24.441 11.238 18.036 1.00 80.84 S ATOM 945 CE MET A 326 23.982 12.963 18.146 1.00 77.71 C ATOM 946 H MET A 326 28.689 13.782 16.846 1.00 0.00 H ATOM 947 N ILE A 327 27.297 12.686 13.298 1.00 67.64 N ATOM 948 CA ILE A 327 27.027 13.454 12.094 1.00 66.77 C ATOM 949 C ILE A 327 25.518 13.417 12.102 1.00 69.50 C ATOM 950 O ILE A 327 24.947 12.329 12.018 1.00 69.40 O ATOM 951 CB ILE A 327 27.597 12.852 10.785 1.00 69.70 C ATOM 952 CG1 ILE A 327 29.123 12.665 10.873 1.00 69.74 C ATOM 953 CG2 ILE A 327 27.210 13.750 9.589 1.00 70.36 C ATOM 954 CD1 ILE A 327 29.626 11.512 10.175 1.00 76.12 C ATOM 955 H ILE A 327 27.066 11.672 13.277 1.00 0.00 H ATOM 956 N ILE A 328 24.880 14.576 12.305 1.00 64.00 N ATOM 957 CA ILE A 328 23.424 14.683 12.387 1.00 62.35 C ATOM 958 C ILE A 328 22.859 15.204 11.074 1.00 66.19 C ATOM 959 O ILE A 328 23.556 15.874 10.321 1.00 65.59 O ATOM 960 CB ILE A 328 22.963 15.537 13.622 1.00 64.80 C ATOM 961 CG1 ILE A 328 23.122 17.037 13.403 1.00 65.00 C ATOM 962 CG2 ILE A 328 23.655 15.105 14.911 1.00 65.72 C ATOM 963 CD1 ILE A 328 22.435 17.920 14.459 1.00 75.28 C ATOM 964 H ILE A 328 25.447 15.442 12.409 1.00 0.00 H ATOM 965 N THR A 329 21.596 14.912 10.806 1.00 63.70 N ATOM 966 CA THR A 329 20.898 15.393 9.622 1.00 63.34 C ATOM 967 C THR A 329 19.598 15.957 10.098 1.00 68.48 C ATOM 968 O THR A 329 18.818 15.253 10.740 1.00 68.57 O ATOM 969 CB THR A 329 20.679 14.292 8.587 1.00 71.70 C ATOM 970 OG1 THR A 329 21.939 13.748 8.201 1.00 76.94 O ATOM 971 CG2 THR A 329 19.972 14.801 7.362 1.00 70.03 C ATOM 972 HG1 THR A 329 21.797 13.034 7.530 1.00 0.00 H ATOM 973 H THR A 329 21.076 14.309 11.475 1.00 0.00 H ATOM 974 N CYS A 330 19.359 17.231 9.815 1.00 65.18 N ATOM 975 CA CYS A 330 18.101 17.800 10.216 1.00 64.44 C ATOM 976 C CYS A 330 17.248 18.075 9.013 1.00 67.08 C ATOM 977 O CYS A 330 17.561 18.971 8.234 1.00 67.44 O ATOM 978 CB CYS A 330 18.290 19.044 11.060 1.00 65.10 C ATOM 979 SG CYS A 330 16.757 19.966 11.294 1.00 69.61 S ATOM 980 H CYS A 330 20.066 17.806 9.314 1.00 0.00 H ATOM 981 N SER A 331 16.162 17.314 8.860 1.00 62.40 N ATOM 982 CA SER A 331 15.222 17.490 7.763 1.00 61.17 C ATOM 983 C SER A 331 14.001 18.282 8.261 1.00 65.28 C ATOM 984 O SER A 331 13.533 18.008 9.361 1.00 67.31 O ATOM 985 CB SER A 331 14.837 16.134 7.193 1.00 62.88 C ATOM 986 OG SER A 331 13.790 16.250 6.246 1.00 75.13 O ATOM 987 HG SER A 331 14.083 16.833 5.501 1.00 0.00 H ATOM 988 H SER A 331 15.980 16.562 9.555 1.00 0.00 H ATOM 989 N THR A 332 13.527 19.299 7.496 1.00 59.74 N ATOM 990 CA THR A 332 12.376 20.161 7.870 1.00 58.67 C ATOM 991 C THR A 332 11.305 20.034 6.797 1.00 63.76 C ATOM 992 O THR A 332 11.568 20.315 5.634 1.00 64.61 O ATOM 993 CB THR A 332 12.791 21.643 8.088 1.00 57.13 C ATOM 994 OG1 THR A 332 13.919 21.723 8.952 1.00 60.42 O ATOM 995 CG2 THR A 332 11.687 22.481 8.691 1.00 52.55 C ATOM 996 HG1 THR A 332 14.169 22.672 9.079 1.00 0.00 H ATOM 997 H THR A 332 14.000 19.487 6.589 1.00 0.00 H ATOM 998 N LYS A 333 10.112 19.612 7.181 1.00 59.83 N ATOM 999 CA LYS A 333 9.014 19.427 6.247 1.00 59.76 C ATOM 1000 C LYS A 333 7.920 20.432 6.532 1.00 64.52 C ATOM 1001 O LYS A 333 7.277 20.339 7.582 1.00 64.44 O ATOM 1002 CB LYS A 333 8.442 17.991 6.332 1.00 60.78 C ATOM 1003 CG LYS A 333 9.256 16.923 5.644 1.00 71.62 C ATOM 1004 CD LYS A 333 10.337 16.337 6.574 1.00 84.61 C ATOM 1005 CE LYS A 333 10.735 14.952 6.134 1.00 87.58 C ATOM 1006 NZ LYS A 333 11.688 14.344 7.093 1.00 97.93 N ATOM 1007 HZ1 LYS A 333 12.542 14.934 7.152 1.00 0.00 H ATOM 1008 HZ2 LYS A 333 11.242 14.282 8.031 1.00 0.00 H ATOM 1009 HZ3 LYS A 333 11.946 13.391 6.766 1.00 0.00 H ATOM 1010 H LYS A 333 9.954 19.405 8.188 1.00 0.00 H ATOM 1011 N VAL A 334 7.694 21.386 5.595 1.00 61.12 N ATOM 1012 CA VAL A 334 6.621 22.385 5.707 1.00 60.52 C ATOM 1013 C VAL A 334 5.323 21.768 5.151 1.00 64.73 C ATOM 1014 O VAL A 334 5.290 21.357 3.992 1.00 62.16 O ATOM 1015 CB VAL A 334 6.979 23.726 5.024 1.00 62.83 C ATOM 1016 CG1 VAL A 334 5.768 24.656 4.985 1.00 61.82 C ATOM 1017 CG2 VAL A 334 8.168 24.389 5.706 1.00 62.24 C ATOM 1018 H VAL A 334 8.309 21.412 4.757 1.00 0.00 H ATOM 1019 N CYS A 335 4.281 21.689 5.978 1.00 65.45 N ATOM 1020 CA CYS A 335 3.018 21.065 5.560 1.00 68.39 C ATOM 1021 C CYS A 335 1.833 22.023 5.532 1.00 77.33 C ATOM 1022 O CYS A 335 1.635 22.824 6.454 1.00 76.81 O ATOM 1023 CB CYS A 335 2.701 19.823 6.393 1.00 68.62 C ATOM 1024 SG CYS A 335 4.105 18.697 6.608 1.00 72.38 S ATOM 1025 H CYS A 335 4.363 22.077 6.939 1.00 0.00 H ATOM 1026 N SER A 336 1.041 21.915 4.460 1.00 76.88 N ATOM 1027 CA SER A 336 -0.173 22.688 4.262 1.00 77.96 C ATOM 1028 C SER A 336 -1.304 21.693 4.052 1.00 81.65 C ATOM 1029 O SER A 336 -1.273 20.896 3.101 1.00 81.12 O ATOM 1030 CB SER A 336 -0.028 23.657 3.093 1.00 84.07 C ATOM 1031 OG SER A 336 -1.218 24.418 2.962 1.00 98.84 O ATOM 1032 HG SER A 336 -1.377 24.927 3.796 1.00 0.00 H ATOM 1033 H SER A 336 1.311 21.235 3.721 1.00 0.00 H ATOM 1034 N PHE A 337 -2.255 21.682 5.009 1.00 78.26 N ATOM 1035 CA PHE A 337 -3.394 20.758 5.080 1.00 78.22 C ATOM 1036 C PHE A 337 -2.917 19.299 5.204 1.00 83.92 C ATOM 1037 O PHE A 337 -3.495 18.397 4.617 1.00 84.18 O ATOM 1038 CB PHE A 337 -4.402 20.974 3.927 1.00 79.47 C ATOM 1039 CG PHE A 337 -5.222 22.232 4.055 1.00 80.69 C ATOM 1040 CD1 PHE A 337 -4.740 23.449 3.578 1.00 83.83 C ATOM 1041 CD2 PHE A 337 -6.475 22.206 4.656 1.00 82.74 C ATOM 1042 CE1 PHE A 337 -5.492 24.622 3.713 1.00 84.59 C ATOM 1043 CE2 PHE A 337 -7.243 23.370 4.756 1.00 85.65 C ATOM 1044 CZ PHE A 337 -6.731 24.578 4.316 1.00 83.86 C ATOM 1045 H PHE A 337 -2.174 22.392 5.765 1.00 0.00 H ATOM 1046 N GLY A 338 -1.839 19.093 5.951 1.00 82.43 N ATOM 1047 CA GLY A 338 -1.287 17.762 6.183 1.00 82.65 C ATOM 1048 C GLY A 338 -0.368 17.218 5.110 1.00 86.06 C ATOM 1049 O GLY A 338 0.338 16.237 5.355 1.00 87.64 O ATOM 1050 H GLY A 338 -1.370 19.912 6.388 1.00 0.00 H ATOM 1051 N LYS A 339 -0.377 17.817 3.912 1.00 78.64 N ATOM 1052 CA LYS A 339 0.513 17.353 2.865 1.00 76.29 C ATOM 1053 C LYS A 339 1.770 18.245 2.818 1.00 74.13 C ATOM 1054 O LYS A 339 1.699 19.468 2.952 1.00 73.17 O ATOM 1055 CB LYS A 339 -0.226 17.246 1.518 1.00 79.12 C ATOM 1056 H LYS A 339 -1.021 18.614 3.733 1.00 0.00 H ATOM 1057 N GLN A 340 2.921 17.606 2.703 1.00 66.58 N ATOM 1058 CA GLN A 340 4.221 18.248 2.619 1.00 64.16 C ATOM 1059 C GLN A 340 4.335 19.053 1.300 1.00 69.29 C ATOM 1060 O GLN A 340 4.147 18.492 0.215 1.00 69.80 O ATOM 1061 CB GLN A 340 5.317 17.184 2.716 1.00 63.96 C ATOM 1062 CG GLN A 340 6.713 17.736 2.767 1.00 70.15 C ATOM 1063 CD GLN A 340 7.623 16.827 2.021 1.00 87.57 C ATOM 1064 OE1 GLN A 340 8.180 15.874 2.578 1.00 80.38 O ATOM 1065 NE2 GLN A 340 7.781 17.095 0.734 1.00 83.92 N ATOM 1066 HE22 GLN A 340 7.292 17.908 0.308 1.00 0.00 H ATOM 1067 HE21 GLN A 340 8.394 16.492 0.149 1.00 0.00 H ATOM 1068 H GLN A 340 2.894 16.567 2.670 1.00 0.00 H ATOM 1069 N VAL A 341 4.639 20.373 1.409 1.00 64.28 N ATOM 1070 CA VAL A 341 4.795 21.269 0.259 1.00 62.12 C ATOM 1071 C VAL A 341 6.254 21.536 -0.015 1.00 63.18 C ATOM 1072 O VAL A 341 6.639 21.704 -1.168 1.00 63.24 O ATOM 1073 CB VAL A 341 3.946 22.594 0.316 1.00 65.14 C ATOM 1074 CG1 VAL A 341 2.459 22.289 0.420 1.00 65.28 C ATOM 1075 CG2 VAL A 341 4.376 23.524 1.443 1.00 64.44 C ATOM 1076 H VAL A 341 4.768 20.770 2.362 1.00 0.00 H ATOM 1077 N VAL A 342 7.068 21.596 1.045 1.00 58.37 N ATOM 1078 CA VAL A 342 8.496 21.958 0.991 1.00 56.74 C ATOM 1079 C VAL A 342 9.295 21.071 1.967 1.00 58.84 C ATOM 1080 O VAL A 342 8.735 20.531 2.919 1.00 57.34 O ATOM 1081 CB VAL A 342 8.644 23.498 1.270 1.00 59.76 C ATOM 1082 CG1 VAL A 342 10.072 23.899 1.618 1.00 60.26 C ATOM 1083 CG2 VAL A 342 8.136 24.323 0.100 1.00 58.66 C ATOM 1084 H VAL A 342 6.663 21.371 1.976 1.00 0.00 H ATOM 1085 N GLU A 343 10.584 20.881 1.684 1.00 56.38 N ATOM 1086 CA GLU A 343 11.495 20.098 2.500 1.00 57.16 C ATOM 1087 C GLU A 343 12.936 20.512 2.261 1.00 65.13 C ATOM 1088 O GLU A 343 13.347 20.672 1.117 1.00 66.33 O ATOM 1089 CB GLU A 343 11.347 18.598 2.236 1.00 58.59 C ATOM 1090 CG GLU A 343 12.034 17.760 3.300 1.00 67.69 C ATOM 1091 CD GLU A 343 12.376 16.342 2.904 1.00 80.27 C ATOM 1092 OE1 GLU A 343 11.524 15.680 2.268 1.00 56.82 O ATOM 1093 OE2 GLU A 343 13.494 15.889 3.242 1.00 82.16 O ATOM 1094 H GLU A 343 10.962 21.323 0.822 1.00 0.00 H TER 1095 GLU A 343 ATOM 1096 N VAL A 345 17.127 19.722 3.777 1.00 67.61 N ATOM 1097 CA VAL A 345 18.003 19.015 4.708 1.00 67.85 C ATOM 1098 C VAL A 345 19.239 19.845 4.995 1.00 73.10 C ATOM 1099 O VAL A 345 19.656 20.648 4.158 1.00 73.54 O ATOM 1100 CB VAL A 345 18.379 17.572 4.329 1.00 71.59 C ATOM 1101 CG1 VAL A 345 17.143 16.707 4.172 1.00 72.17 C ATOM 1102 CG2 VAL A 345 19.264 17.529 3.090 1.00 71.08 C ATOM 1103 HN3 VAL A 345 17.636 19.895 2.887 1.00 0.00 H ATOM 1104 HN2 VAL A 345 16.839 20.630 4.195 1.00 0.00 H ATOM 1105 HN1 VAL A 345 16.284 19.143 3.588 1.00 0.00 H ATOM 1106 N GLU A 346 19.794 19.654 6.196 1.00 69.66 N ATOM 1107 CA GLU A 346 21.042 20.218 6.716 1.00 69.35 C ATOM 1108 C GLU A 346 21.745 19.010 7.333 1.00 73.10 C ATOM 1109 O GLU A 346 21.087 18.095 7.830 1.00 72.07 O ATOM 1110 CB GLU A 346 20.820 21.277 7.819 1.00 70.95 C ATOM 1111 CG GLU A 346 19.803 22.383 7.528 1.00 88.38 C ATOM 1112 CD GLU A 346 20.203 23.496 6.570 1.00121.78 C ATOM 1113 OE1 GLU A 346 19.361 23.852 5.711 1.00126.70 O ATOM 1114 OE2 GLU A 346 21.339 24.021 6.680 1.00107.61 O ATOM 1115 H GLU A 346 19.275 19.026 6.842 1.00 0.00 H ATOM 1116 N THR A 347 23.068 18.978 7.245 1.00 70.01 N ATOM 1117 CA THR A 347 23.892 17.930 7.822 1.00 68.97 C ATOM 1118 C THR A 347 24.949 18.681 8.624 1.00 72.01 C ATOM 1119 O THR A 347 25.562 19.600 8.090 1.00 71.75 O ATOM 1120 CB THR A 347 24.456 16.976 6.745 1.00 71.25 C ATOM 1121 OG1 THR A 347 23.424 16.583 5.834 1.00 72.79 O ATOM 1122 CG2 THR A 347 25.065 15.740 7.339 1.00 65.75 C ATOM 1123 HG1 THR A 347 23.802 15.973 5.152 1.00 0.00 H ATOM 1124 H THR A 347 23.543 19.748 6.733 1.00 0.00 H ATOM 1125 N GLU A 348 25.095 18.350 9.916 1.00 67.81 N ATOM 1126 CA GLU A 348 26.047 18.983 10.810 1.00 67.12 C ATOM 1127 C GLU A 348 26.975 18.003 11.500 1.00 70.90 C ATOM 1128 O GLU A 348 26.527 16.998 12.064 1.00 69.88 O ATOM 1129 CB GLU A 348 25.342 19.875 11.844 1.00 68.61 C ATOM 1130 CG GLU A 348 24.982 21.267 11.340 1.00 82.25 C ATOM 1131 CD GLU A 348 26.087 22.136 10.753 1.00102.52 C ATOM 1132 OE1 GLU A 348 27.179 22.234 11.365 1.00 92.33 O ATOM 1133 OE2 GLU A 348 25.846 22.728 9.674 1.00 85.01 O ATOM 1134 H GLU A 348 24.490 17.596 10.299 1.00 0.00 H ATOM 1135 N TYR A 349 28.281 18.322 11.462 1.00 68.52 N ATOM 1136 CA TYR A 349 29.343 17.576 12.124 1.00 68.76 C ATOM 1137 C TYR A 349 29.531 18.193 13.498 1.00 75.01 C ATOM 1138 O TYR A 349 29.284 19.387 13.676 1.00 75.83 O ATOM 1139 CB TYR A 349 30.641 17.623 11.305 1.00 69.84 C ATOM 1140 CG TYR A 349 30.608 16.708 10.097 1.00 71.96 C ATOM 1141 CD1 TYR A 349 29.907 17.062 8.946 1.00 73.72 C ATOM 1142 CD2 TYR A 349 31.276 15.481 10.104 1.00 72.62 C ATOM 1143 CE1 TYR A 349 29.848 16.207 7.844 1.00 75.02 C ATOM 1144 CE2 TYR A 349 31.244 14.630 8.997 1.00 72.88 C ATOM 1145 CZ TYR A 349 30.519 14.993 7.874 1.00 80.37 C ATOM 1146 OH TYR A 349 30.480 14.171 6.778 1.00 80.45 O ATOM 1147 HH TYR A 349 29.920 14.586 6.075 1.00 0.00 H ATOM 1148 H TYR A 349 28.554 19.166 10.918 1.00 0.00 H ATOM 1149 N ALA A 350 29.897 17.380 14.482 1.00 72.93 N ATOM 1150 CA ALA A 350 30.068 17.830 15.861 1.00 73.23 C ATOM 1151 C ALA A 350 31.298 18.662 16.027 1.00 76.43 C ATOM 1152 O ALA A 350 32.319 18.384 15.402 1.00 76.14 O ATOM 1153 CB ALA A 350 30.137 16.629 16.801 1.00 74.44 C ATOM 1154 H ALA A 350 30.070 16.378 14.261 1.00 0.00 H ATOM 1155 N ARG A 351 31.197 19.693 16.860 1.00 73.98 N ATOM 1156 CA ARG A 351 32.316 20.561 17.225 1.00 74.02 C ATOM 1157 C ARG A 351 32.509 20.248 18.681 1.00 78.48 C ATOM 1158 O ARG A 351 31.562 20.362 19.469 1.00 78.52 O ATOM 1159 CB ARG A 351 31.980 22.063 17.038 1.00 73.30 C ATOM 1160 CG ARG A 351 33.187 22.995 17.257 1.00 78.89 C ATOM 1161 CD ARG A 351 32.821 24.474 17.418 1.00 89.84 C ATOM 1162 NE ARG A 351 32.358 25.063 16.159 1.00103.57 N ATOM 1163 CZ ARG A 351 33.151 25.562 15.212 1.00117.60 C ATOM 1164 NH1 ARG A 351 34.472 25.578 15.379 1.00101.55 N ATOM 1165 NH2 ARG A 351 32.629 26.048 14.090 1.00 99.86 N ATOM 1166 HE ARG A 351 31.332 25.094 15.992 1.00 0.00 H ATOM 1167 HH12 ARG A 351 35.085 25.969 14.636 1.00 0.00 H ATOM 1168 HH11 ARG A 351 34.890 25.199 16.253 1.00 0.00 H ATOM 1169 HH22 ARG A 351 33.251 26.437 13.353 1.00 0.00 H ATOM 1170 HH21 ARG A 351 31.599 26.039 13.949 1.00 0.00 H ATOM 1171 H ARG A 351 30.266 19.895 17.277 1.00 0.00 H ATOM 1172 N TYR A 352 33.697 19.785 19.039 1.00 75.36 N ATOM 1173 CA TYR A 352 33.971 19.463 20.431 1.00 75.02 C ATOM 1174 C TYR A 352 34.041 20.768 21.236 1.00 79.84 C ATOM 1175 O TYR A 352 34.619 21.753 20.768 1.00 78.88 O ATOM 1176 CB TYR A 352 35.245 18.625 20.545 1.00 75.04 C ATOM 1177 CG TYR A 352 35.583 18.230 21.958 1.00 74.75 C ATOM 1178 CD1 TYR A 352 34.902 17.201 22.595 1.00 76.42 C ATOM 1179 CD2 TYR A 352 36.581 18.887 22.664 1.00 75.43 C ATOM 1180 CE1 TYR A 352 35.218 16.822 23.895 1.00 76.27 C ATOM 1181 CE2 TYR A 352 36.890 18.533 23.974 1.00 76.29 C ATOM 1182 CZ TYR A 352 36.211 17.493 24.581 1.00 82.53 C ATOM 1183 OH TYR A 352 36.520 17.120 25.859 1.00 86.61 O ATOM 1184 HH TYR A 352 35.940 16.365 26.131 1.00 0.00 H ATOM 1185 H TYR A 352 34.438 19.651 18.321 1.00 0.00 H ATOM 1186 N GLU A 353 33.340 20.802 22.373 1.00 78.33 N ATOM 1187 CA GLU A 353 33.265 21.980 23.228 1.00 79.58 C ATOM 1188 C GLU A 353 33.198 21.554 24.682 1.00 86.33 C ATOM 1189 O GLU A 353 32.167 21.052 25.100 1.00 87.16 O ATOM 1190 CB GLU A 353 32.016 22.842 22.893 1.00 81.44 C ATOM 1191 CG GLU A 353 32.176 23.849 21.757 1.00 94.35 C ATOM 1192 CD GLU A 353 31.052 24.861 21.569 1.00106.99 C ATOM 1193 OE1 GLU A 353 30.468 25.303 22.586 1.00 97.71 O ATOM 1194 OE2 GLU A 353 30.766 25.224 20.403 1.00 90.52 O ATOM 1195 H GLU A 353 32.823 19.947 22.662 1.00 0.00 H ATOM 1196 N ASN A 354 34.293 21.734 25.448 1.00 83.67 N ATOM 1197 CA ASN A 354 34.367 21.510 26.899 1.00 83.00 C ATOM 1198 C ASN A 354 33.820 20.150 27.385 1.00 84.29 C ATOM 1199 O ASN A 354 33.184 20.096 28.432 1.00 84.54 O ATOM 1200 CB ASN A 354 33.609 22.670 27.634 1.00 86.05 C ATOM 1201 CG ASN A 354 33.987 24.089 27.243 1.00103.06 C ATOM 1202 OD1 ASN A 354 35.162 24.466 27.230 1.00 97.11 O ATOM 1203 ND2 ASN A 354 32.993 24.919 26.949 1.00 91.84 N ATOM 1204 HD22 ASN A 354 32.010 24.580 26.966 1.00 0.00 H ATOM 1205 HD21 ASN A 354 33.198 25.908 26.702 1.00 0.00 H ATOM 1206 H ASN A 354 35.159 22.059 24.972 1.00 0.00 H ATOM 1207 N GLY A 355 34.055 19.079 26.636 1.00 78.71 N ATOM 1208 CA GLY A 355 33.566 17.749 26.997 1.00 77.23 C ATOM 1209 C GLY A 355 32.191 17.421 26.445 1.00 79.04 C ATOM 1210 O GLY A 355 31.726 16.279 26.577 1.00 79.08 O ATOM 1211 H GLY A 355 34.607 19.190 25.761 1.00 0.00 H ATOM 1212 N HIS A 356 31.517 18.447 25.853 1.00 72.49 N ATOM 1213 CA HIS A 356 30.183 18.407 25.214 1.00 70.61 C ATOM 1214 C HIS A 356 30.468 18.360 23.690 1.00 70.40 C ATOM 1215 O HIS A 356 31.599 18.647 23.258 1.00 68.75 O ATOM 1216 CB HIS A 356 29.315 19.691 25.579 1.00 71.22 C ATOM 1217 CG HIS A 356 29.334 20.085 27.043 1.00 74.31 C ATOM 1218 ND1 HIS A 356 28.298 19.754 27.901 1.00 76.18 N ATOM 1219 CD2 HIS A 356 30.287 20.725 27.761 1.00 74.78 C ATOM 1220 CE1 HIS A 356 28.658 20.209 29.094 1.00 74.51 C ATOM 1221 NE2 HIS A 356 29.864 20.751 29.061 1.00 74.03 N ATOM 1222 H HIS A 356 31.998 19.369 25.850 1.00 0.00 H ATOM 1223 N TYR A 357 29.451 18.007 22.890 1.00 64.78 N ATOM 1224 CA TYR A 357 29.540 17.976 21.430 1.00 62.91 C ATOM 1225 C TYR A 357 28.473 18.905 20.858 1.00 64.98 C ATOM 1226 O TYR A 357 27.288 18.614 21.019 1.00 65.75 O ATOM 1227 CB TYR A 357 29.391 16.542 20.906 1.00 62.75 C ATOM 1228 CG TYR A 357 30.646 15.745 21.112 1.00 64.28 C ATOM 1229 CD1 TYR A 357 31.756 15.940 20.298 1.00 67.31 C ATOM 1230 CD2 TYR A 357 30.731 14.781 22.113 1.00 64.12 C ATOM 1231 CE1 TYR A 357 32.948 15.253 20.521 1.00 66.16 C ATOM 1232 CE2 TYR A 357 31.905 14.058 22.319 1.00 63.64 C ATOM 1233 CZ TYR A 357 33.019 14.318 21.536 1.00 71.67 C ATOM 1234 OH TYR A 357 34.192 13.619 21.706 1.00 78.13 O ATOM 1235 HH TYR A 357 34.866 13.946 21.059 1.00 0.00 H ATOM 1236 H TYR A 357 28.548 17.740 23.332 1.00 0.00 H ATOM 1237 N SER A 358 28.885 20.028 20.226 1.00 59.28 N ATOM 1238 CA SER A 358 27.983 21.057 19.665 1.00 59.11 C ATOM 1239 C SER A 358 27.655 20.948 18.180 1.00 61.87 C ATOM 1240 O SER A 358 28.535 20.723 17.346 1.00 62.79 O ATOM 1241 CB SER A 358 28.529 22.464 19.908 1.00 64.48 C ATOM 1242 OG SER A 358 28.785 22.731 21.277 1.00 81.40 O ATOM 1243 HG SER A 358 29.135 23.652 21.373 1.00 0.00 H ATOM 1244 H SER A 358 29.909 20.178 20.128 1.00 0.00 H ATOM 1245 N TYR A 359 26.393 21.213 17.850 1.00 56.53 N ATOM 1246 CA TYR A 359 25.912 21.266 16.481 1.00 55.95 C ATOM 1247 C TYR A 359 25.173 22.601 16.389 1.00 60.19 C ATOM 1248 O TYR A 359 24.163 22.772 17.073 1.00 60.00 O ATOM 1249 CB TYR A 359 24.990 20.072 16.154 1.00 56.64 C ATOM 1250 CG TYR A 359 25.530 18.736 16.624 1.00 58.72 C ATOM 1251 CD1 TYR A 359 25.297 18.285 17.918 1.00 60.93 C ATOM 1252 CD2 TYR A 359 26.232 17.900 15.760 1.00 59.51 C ATOM 1253 CE1 TYR A 359 25.804 17.070 18.364 1.00 62.36 C ATOM 1254 CE2 TYR A 359 26.695 16.652 16.179 1.00 60.71 C ATOM 1255 CZ TYR A 359 26.492 16.248 17.490 1.00 69.24 C ATOM 1256 OH TYR A 359 26.949 15.036 17.952 1.00 69.80 O ATOM 1257 HH TYR A 359 26.706 14.935 18.906 1.00 0.00 H ATOM 1258 H TYR A 359 25.713 21.392 18.616 1.00 0.00 H ATOM 1259 N ARG A 360 25.732 23.578 15.629 1.00 56.34 N ATOM 1260 CA ARG A 360 25.157 24.912 15.443 1.00 56.64 C ATOM 1261 C ARG A 360 24.873 25.134 13.962 1.00 64.22 C ATOM 1262 O ARG A 360 25.799 25.078 13.142 1.00 63.82 O ATOM 1263 CB ARG A 360 26.046 26.014 16.056 1.00 53.05 C ATOM 1264 CG ARG A 360 25.710 27.447 15.646 1.00 69.03 C ATOM 1265 CD ARG A 360 26.318 28.534 16.555 1.00 91.24 C ATOM 1266 NE ARG A 360 27.770 28.709 16.373 1.00106.10 N ATOM 1267 CZ ARG A 360 28.709 28.189 17.168 1.00114.63 C ATOM 1268 NH1 ARG A 360 28.367 27.443 18.214 1.00120.22 N ATOM 1269 NH2 ARG A 360 29.994 28.398 16.914 1.00 68.70 N ATOM 1270 HE ARG A 360 28.088 29.281 15.564 1.00 0.00 H ATOM 1271 HH12 ARG A 360 29.103 27.041 18.829 1.00 0.00 H ATOM 1272 HH11 ARG A 360 27.363 27.261 18.417 1.00 0.00 H ATOM 1273 HH22 ARG A 360 30.720 27.990 17.537 1.00 0.00 H ATOM 1274 HH21 ARG A 360 30.275 28.970 16.092 1.00 0.00 H ATOM 1275 H ARG A 360 26.628 23.365 15.147 1.00 0.00 H ATOM 1276 N ILE A 361 23.563 25.266 13.630 1.00 62.02 N ATOM 1277 CA ILE A 361 23.008 25.535 12.300 1.00 62.36 C ATOM 1278 C ILE A 361 22.867 27.055 12.327 1.00 65.02 C ATOM 1279 O ILE A 361 21.971 27.600 12.958 1.00 64.86 O ATOM 1280 CB ILE A 361 21.661 24.745 12.079 1.00 66.51 C ATOM 1281 CG1 ILE A 361 21.944 23.260 11.722 1.00 66.79 C ATOM 1282 CG2 ILE A 361 20.749 25.416 11.017 1.00 69.55 C ATOM 1283 CD1 ILE A 361 20.731 22.329 11.433 1.00 74.24 C ATOM 1284 H ILE A 361 22.877 25.165 14.405 1.00 0.00 H ATOM 1285 N HIS A 362 23.838 27.732 11.777 1.00 61.77 N ATOM 1286 CA HIS A 362 23.897 29.178 11.857 1.00 61.64 C ATOM 1287 C HIS A 362 23.368 29.870 10.609 1.00 65.15 C ATOM 1288 O HIS A 362 23.965 29.715 9.534 1.00 65.43 O ATOM 1289 CB HIS A 362 25.328 29.625 12.207 1.00 62.41 C ATOM 1290 CG HIS A 362 25.413 31.070 12.546 1.00 65.86 C ATOM 1291 ND1 HIS A 362 26.137 31.945 11.769 1.00 67.28 N ATOM 1292 CD2 HIS A 362 24.780 31.764 13.517 1.00 66.82 C ATOM 1293 CE1 HIS A 362 25.963 33.131 12.318 1.00 65.93 C ATOM 1294 NE2 HIS A 362 25.152 33.068 13.368 1.00 66.08 N ATOM 1295 H HIS A 362 24.588 27.221 11.269 1.00 0.00 H ATOM 1296 N ARG A 363 22.241 30.636 10.767 1.00 59.48 N ATOM 1297 CA ARG A 363 21.540 31.406 9.724 1.00 58.49 C ATOM 1298 C ARG A 363 21.166 30.590 8.466 1.00 62.26 C ATOM 1299 O ARG A 363 21.487 30.968 7.325 1.00 61.93 O ATOM 1300 CB ARG A 363 22.317 32.666 9.335 1.00 54.77 C ATOM 1301 CG ARG A 363 22.514 33.616 10.466 1.00 62.97 C ATOM 1302 CD ARG A 363 23.705 34.486 10.166 1.00 67.80 C ATOM 1303 NE ARG A 363 23.442 35.470 9.116 1.00 61.17 N ATOM 1304 CZ ARG A 363 22.803 36.610 9.321 1.00 70.17 C ATOM 1305 NH1 ARG A 363 22.351 36.916 10.533 1.00 56.95 N ATOM 1306 NH2 ARG A 363 22.608 37.456 8.317 1.00 60.17 N ATOM 1307 HE ARG A 363 23.776 35.261 8.154 1.00 0.00 H ATOM 1308 HH12 ARG A 363 21.849 37.813 10.690 1.00 0.00 H ATOM 1309 HH11 ARG A 363 22.499 36.258 11.325 1.00 0.00 H ATOM 1310 HH22 ARG A 363 22.105 38.351 8.482 1.00 0.00 H ATOM 1311 HH21 ARG A 363 22.958 37.223 7.366 1.00 0.00 H ATOM 1312 H ARG A 363 21.838 30.678 11.725 1.00 0.00 H ATOM 1313 N SER A 364 20.490 29.475 8.683 1.00 58.11 N ATOM 1314 CA SER A 364 20.026 28.636 7.598 1.00 58.00 C ATOM 1315 C SER A 364 18.948 29.482 6.888 1.00 65.50 C ATOM 1316 O SER A 364 17.991 29.908 7.554 1.00 66.38 O ATOM 1317 CB SER A 364 19.442 27.353 8.160 1.00 60.19 C ATOM 1318 OG SER A 364 19.034 26.509 7.103 1.00 76.82 O ATOM 1319 HG SER A 364 18.654 25.674 7.476 1.00 0.00 H ATOM 1320 H SER A 364 20.285 29.192 9.663 1.00 0.00 H ATOM 1321 N PRO A 365 19.159 29.903 5.609 1.00 60.30 N ATOM 1322 CA PRO A 365 18.161 30.764 4.967 1.00 58.81 C ATOM 1323 C PRO A 365 16.793 30.112 4.920 1.00 67.16 C ATOM 1324 O PRO A 365 16.661 28.899 4.650 1.00 68.89 O ATOM 1325 CB PRO A 365 18.731 30.992 3.575 1.00 59.99 C ATOM 1326 CG PRO A 365 19.680 29.875 3.346 1.00 64.00 C ATOM 1327 CD PRO A 365 20.252 29.559 4.676 1.00 60.13 C ATOM 1328 N LEU A 366 15.771 30.916 5.264 1.00 63.18 N ATOM 1329 CA LEU A 366 14.380 30.496 5.255 1.00 60.96 C ATOM 1330 C LEU A 366 13.989 30.306 3.798 1.00 66.29 C ATOM 1331 O LEU A 366 14.455 31.060 2.925 1.00 65.25 O ATOM 1332 CB LEU A 366 13.537 31.583 5.895 1.00 60.05 C ATOM 1333 CG LEU A 366 12.161 31.225 6.383 1.00 63.38 C ATOM 1334 CD1 LEU A 366 12.228 30.326 7.578 1.00 63.19 C ATOM 1335 CD2 LEU A 366 11.411 32.466 6.771 1.00 63.76 C ATOM 1336 H LEU A 366 15.988 31.891 5.552 1.00 0.00 H ATOM 1337 N CYS A 367 13.204 29.245 3.517 1.00 64.55 N ATOM 1338 CA CYS A 367 12.811 28.964 2.140 1.00 64.37 C ATOM 1339 C CYS A 367 11.827 30.011 1.597 1.00 65.69 C ATOM 1340 O CYS A 367 11.228 30.782 2.359 1.00 64.45 O ATOM 1341 CB CYS A 367 12.313 27.531 1.954 1.00 64.95 C ATOM 1342 SG CYS A 367 10.702 27.197 2.689 1.00 69.14 S ATOM 1343 H CYS A 367 12.878 28.625 4.285 1.00 0.00 H ATOM 1344 N GLU A 368 11.736 30.080 0.274 1.00 61.04 N ATOM 1345 CA GLU A 368 10.889 31.023 -0.418 1.00 61.19 C ATOM 1346 C GLU A 368 9.424 30.825 -0.064 1.00 65.77 C ATOM 1347 O GLU A 368 8.699 31.809 0.039 1.00 65.74 O ATOM 1348 CB GLU A 368 11.130 30.936 -1.929 1.00 63.03 C ATOM 1349 CG GLU A 368 12.498 31.443 -2.377 1.00 75.10 C ATOM 1350 CD GLU A 368 12.757 32.924 -2.173 1.00 88.32 C ATOM 1351 OE1 GLU A 368 13.432 33.275 -1.177 1.00 63.64 O ATOM 1352 OE2 GLU A 368 12.276 33.732 -3.002 1.00 83.85 O ATOM 1353 H GLU A 368 12.305 29.420 -0.294 1.00 0.00 H ATOM 1354 N TYR A 369 9.001 29.562 0.182 1.00 62.63 N ATOM 1355 CA TYR A 369 7.624 29.240 0.570 1.00 61.49 C ATOM 1356 C TYR A 369 7.239 30.000 1.837 1.00 64.38 C ATOM 1357 O TYR A 369 6.195 30.667 1.853 1.00 63.96 O ATOM 1358 CB TYR A 369 7.415 27.720 0.760 1.00 61.92 C ATOM 1359 CG TYR A 369 5.958 27.350 0.962 1.00 62.71 C ATOM 1360 CD1 TYR A 369 5.128 27.088 -0.121 1.00 63.14 C ATOM 1361 CD2 TYR A 369 5.388 27.349 2.230 1.00 63.89 C ATOM 1362 CE1 TYR A 369 3.765 26.853 0.054 1.00 62.42 C ATOM 1363 CE2 TYR A 369 4.028 27.094 2.416 1.00 64.21 C ATOM 1364 CZ TYR A 369 3.220 26.857 1.326 1.00 66.40 C ATOM 1365 OH TYR A 369 1.893 26.572 1.530 1.00 68.10 O ATOM 1366 HH TYR A 369 1.450 26.428 0.657 1.00 0.00 H ATOM 1367 H TYR A 369 9.685 28.784 0.091 1.00 0.00 H ATOM 1368 N MET A 370 8.101 29.899 2.878 1.00 59.43 N ATOM 1369 CA MET A 370 7.931 30.518 4.193 1.00 58.37 C ATOM 1370 C MET A 370 7.939 32.034 4.109 1.00 61.13 C ATOM 1371 O MET A 370 7.077 32.671 4.705 1.00 60.65 O ATOM 1372 CB MET A 370 8.987 30.006 5.201 1.00 60.80 C ATOM 1373 CG MET A 370 8.842 28.539 5.597 1.00 64.83 C ATOM 1374 SD MET A 370 7.193 28.157 6.281 1.00 70.42 S ATOM 1375 CE MET A 370 7.173 29.261 7.745 1.00 67.06 C ATOM 1376 H MET A 370 8.959 29.331 2.729 1.00 0.00 H ATOM 1377 N ILE A 371 8.900 32.614 3.362 1.00 56.96 N ATOM 1378 CA ILE A 371 9.040 34.060 3.178 1.00 55.11 C ATOM 1379 C ILE A 371 7.785 34.584 2.482 1.00 62.02 C ATOM 1380 O ILE A 371 7.258 35.629 2.885 1.00 63.80 O ATOM 1381 CB ILE A 371 10.348 34.411 2.427 1.00 56.60 C ATOM 1382 CG1 ILE A 371 11.591 33.938 3.201 1.00 55.61 C ATOM 1383 CG2 ILE A 371 10.435 35.902 2.113 1.00 57.01 C ATOM 1384 CD1 ILE A 371 12.887 33.959 2.399 1.00 46.76 C ATOM 1385 H ILE A 371 9.586 31.994 2.886 1.00 0.00 H ATOM 1386 N ASN A 372 7.269 33.840 1.486 1.00 59.40 N ATOM 1387 CA ASN A 372 6.032 34.234 0.796 1.00 59.96 C ATOM 1388 C ASN A 372 4.769 33.950 1.637 1.00 63.56 C ATOM 1389 O ASN A 372 3.749 34.587 1.415 1.00 63.24 O ATOM 1390 CB ASN A 372 5.945 33.632 -0.612 1.00 62.41 C ATOM 1391 CG ASN A 372 7.056 34.104 -1.536 1.00102.20 C ATOM 1392 OD1 ASN A 372 7.551 35.241 -1.454 1.00101.27 O ATOM 1393 ND2 ASN A 372 7.477 33.235 -2.442 1.00 97.57 N ATOM 1394 HD22 ASN A 372 7.049 32.289 -2.493 1.00 0.00 H ATOM 1395 HD21 ASN A 372 8.236 33.499 -3.102 1.00 0.00 H ATOM 1396 H ASN A 372 7.756 32.967 1.198 1.00 0.00 H ATOM 1397 N PHE A 373 4.853 33.034 2.616 1.00 60.91 N ATOM 1398 CA PHE A 373 3.760 32.698 3.526 1.00 61.37 C ATOM 1399 C PHE A 373 3.651 33.744 4.608 1.00 67.68 C ATOM 1400 O PHE A 373 2.543 34.048 5.041 1.00 68.28 O ATOM 1401 CB PHE A 373 3.970 31.324 4.161 1.00 63.51 C ATOM 1402 CG PHE A 373 2.829 30.848 5.030 1.00 66.22 C ATOM 1403 CD1 PHE A 373 1.652 30.366 4.461 1.00 69.70 C ATOM 1404 CD2 PHE A 373 2.961 30.802 6.413 1.00 69.57 C ATOM 1405 CE1 PHE A 373 0.615 29.885 5.262 1.00 71.04 C ATOM 1406 CE2 PHE A 373 1.921 30.319 7.214 1.00 72.75 C ATOM 1407 CZ PHE A 373 0.755 29.866 6.634 1.00 70.77 C ATOM 1408 H PHE A 373 5.755 32.531 2.734 1.00 0.00 H ATOM 1409 N ILE A 374 4.797 34.275 5.075 1.00 65.14 N ATOM 1410 CA ILE A 374 4.853 35.334 6.092 1.00 65.51 C ATOM 1411 C ILE A 374 4.268 36.611 5.445 1.00 75.10 C ATOM 1412 O ILE A 374 3.474 37.319 6.072 1.00 75.87 O ATOM 1413 CB ILE A 374 6.300 35.490 6.687 1.00 66.98 C ATOM 1414 CG1 ILE A 374 6.654 34.265 7.575 1.00 66.35 C ATOM 1415 CG2 ILE A 374 6.452 36.755 7.497 1.00 65.96 C ATOM 1416 CD1 ILE A 374 8.072 33.879 7.646 1.00 53.41 C ATOM 1417 H ILE A 374 5.695 33.914 4.694 1.00 0.00 H ATOM 1418 N HIS A 375 4.571 36.820 4.156 1.00 74.14 N ATOM 1419 CA HIS A 375 4.087 37.945 3.378 1.00 75.50 C ATOM 1420 C HIS A 375 2.590 37.941 3.198 1.00 78.93 C ATOM 1421 O HIS A 375 1.958 38.974 3.398 1.00 78.92 O ATOM 1422 CB HIS A 375 4.760 37.955 2.021 1.00 78.03 C ATOM 1423 CG HIS A 375 5.038 39.326 1.524 1.00 83.20 C ATOM 1424 ND1 HIS A 375 5.814 40.217 2.262 1.00 86.31 N ATOM 1425 CD2 HIS A 375 4.679 39.913 0.363 1.00 85.86 C ATOM 1426 CE1 HIS A 375 5.891 41.317 1.528 1.00 85.99 C ATOM 1427 NE2 HIS A 375 5.238 41.176 0.373 1.00 86.18 N ATOM 1428 H HIS A 375 5.192 36.132 3.684 1.00 0.00 H ATOM 1429 N LYS A 376 2.015 36.790 2.817 1.00 75.14 N ATOM 1430 CA LYS A 376 0.572 36.646 2.599 1.00 74.34 C ATOM 1431 C LYS A 376 -0.223 36.868 3.884 1.00 78.51 C ATOM 1432 O LYS A 376 -1.264 37.513 3.829 1.00 80.85 O ATOM 1433 CB LYS A 376 0.233 35.278 1.977 1.00 76.13 C ATOM 1434 CG LYS A 376 0.571 35.173 0.500 1.00 79.80 C ATOM 1435 CD LYS A 376 0.588 33.737 0.061 1.00 84.44 C ATOM 1436 CE LYS A 376 1.238 33.590 -1.286 1.00 95.65 C ATOM 1437 NZ LYS A 376 1.330 32.164 -1.694 1.00101.97 N ATOM 1438 HZ1 LYS A 376 1.896 31.641 -0.996 1.00 0.00 H ATOM 1439 HZ2 LYS A 376 0.374 31.756 -1.743 1.00 0.00 H ATOM 1440 HZ3 LYS A 376 1.783 32.100 -2.628 1.00 0.00 H ATOM 1441 H LYS A 376 2.623 35.959 2.669 1.00 0.00 H ATOM 1442 N LEU A 377 0.265 36.352 5.028 1.00 72.95 N ATOM 1443 CA LEU A 377 -0.371 36.491 6.336 1.00 72.30 C ATOM 1444 C LEU A 377 -0.531 37.950 6.713 1.00 78.39 C ATOM 1445 O LEU A 377 -1.616 38.343 7.140 1.00 78.15 O ATOM 1446 CB LEU A 377 0.453 35.783 7.425 1.00 72.02 C ATOM 1447 CG LEU A 377 0.278 34.287 7.567 1.00 76.48 C ATOM 1448 CD1 LEU A 377 1.457 33.701 8.248 1.00 76.98 C ATOM 1449 CD2 LEU A 377 -0.958 33.943 8.364 1.00 78.15 C ATOM 1450 H LEU A 377 1.156 35.818 4.977 1.00 0.00 H ATOM 1451 N LYS A 378 0.548 38.753 6.535 1.00 76.80 N ATOM 1452 CA LYS A 378 0.627 40.172 6.872 1.00 77.32 C ATOM 1453 C LYS A 378 -0.358 41.040 6.095 1.00 84.81 C ATOM 1454 O LYS A 378 -0.722 42.133 6.564 1.00 84.91 O ATOM 1455 CB LYS A 378 2.065 40.689 6.718 1.00 80.13 C ATOM 1456 CG LYS A 378 3.055 40.239 7.815 1.00 92.32 C ATOM 1457 CD LYS A 378 2.782 40.821 9.212 1.00 99.22 C ATOM 1458 CE LYS A 378 2.930 42.320 9.343 1.00102.27 C ATOM 1459 NZ LYS A 378 2.176 42.819 10.525 1.00107.03 N ATOM 1460 HZ1 LYS A 378 1.168 42.588 10.415 1.00 0.00 H ATOM 1461 HZ2 LYS A 378 2.545 42.367 11.386 1.00 0.00 H ATOM 1462 HZ3 LYS A 378 2.290 43.850 10.597 1.00 0.00 H ATOM 1463 H LYS A 378 1.397 38.318 6.120 1.00 0.00 H ATOM 1464 N HIS A 379 -0.811 40.536 4.921 1.00 82.88 N ATOM 1465 CA HIS A 379 -1.806 41.187 4.056 1.00 82.91 C ATOM 1466 C HIS A 379 -3.233 41.077 4.561 1.00 86.13 C ATOM 1467 O HIS A 379 -4.058 41.907 4.192 1.00 86.08 O ATOM 1468 CB HIS A 379 -1.698 40.682 2.629 1.00 83.93 C ATOM 1469 CG HIS A 379 -0.627 41.392 1.891 1.00 87.83 C ATOM 1470 ND1 HIS A 379 -0.897 42.100 0.745 1.00 89.88 N ATOM 1471 CD2 HIS A 379 0.683 41.538 2.205 1.00 90.53 C ATOM 1472 CE1 HIS A 379 0.258 42.629 0.380 1.00 89.70 C ATOM 1473 NE2 HIS A 379 1.232 42.330 1.245 1.00 90.15 N ATOM 1474 H HIS A 379 -0.426 39.621 4.609 1.00 0.00 H ATOM 1475 N LEU A 380 -3.530 40.050 5.388 1.00 82.41 N ATOM 1476 CA LEU A 380 -4.842 39.881 6.015 1.00 81.88 C ATOM 1477 C LEU A 380 -4.932 41.017 7.052 1.00 88.67 C ATOM 1478 O LEU A 380 -3.914 41.377 7.672 1.00 88.17 O ATOM 1479 CB LEU A 380 -5.014 38.499 6.680 1.00 80.93 C ATOM 1480 CG LEU A 380 -4.785 37.276 5.804 1.00 83.80 C ATOM 1481 CD1 LEU A 380 -4.480 36.060 6.631 1.00 83.13 C ATOM 1482 CD2 LEU A 380 -5.953 37.010 4.924 1.00 86.11 C ATOM 1483 H LEU A 380 -2.791 39.346 5.588 1.00 0.00 H ATOM 1484 N PRO A 381 -6.105 41.663 7.164 1.00 86.58 N ATOM 1485 CA PRO A 381 -6.204 42.856 8.013 1.00 87.53 C ATOM 1486 C PRO A 381 -6.435 42.641 9.514 1.00 94.63 C ATOM 1487 O PRO A 381 -6.190 43.574 10.292 1.00 95.44 O ATOM 1488 CB PRO A 381 -7.365 43.631 7.384 1.00 89.10 C ATOM 1489 CG PRO A 381 -7.824 42.799 6.168 1.00 92.90 C ATOM 1490 CD PRO A 381 -7.361 41.431 6.433 1.00 88.04 C ATOM 1491 N GLU A 382 -6.931 41.452 9.917 1.00 91.38 N ATOM 1492 CA GLU A 382 -7.238 41.113 11.315 1.00 90.87 C ATOM 1493 C GLU A 382 -6.552 39.785 11.683 1.00 93.17 C ATOM 1494 O GLU A 382 -6.449 38.914 10.815 1.00 93.20 O ATOM 1495 CB GLU A 382 -8.781 41.070 11.528 1.00 92.38 C ATOM 1496 CG GLU A 382 -9.456 42.436 11.561 1.00101.59 C ATOM 1497 CD GLU A 382 -10.956 42.462 11.320 1.00142.39 C ATOM 1498 OE1 GLU A 382 -11.716 42.200 12.281 1.00157.11 O ATOM 1499 OE2 GLU A 382 -11.378 42.775 10.182 1.00140.83 O ATOM 1500 H GLU A 382 -7.108 40.728 9.191 1.00 0.00 H ATOM 1501 N LYS A 383 -6.047 39.637 12.944 1.00 88.35 N ATOM 1502 CA LYS A 383 -5.318 38.417 13.383 1.00 87.38 C ATOM 1503 C LYS A 383 -6.166 37.128 13.402 1.00 93.10 C ATOM 1504 O LYS A 383 -5.579 36.050 13.406 1.00 92.25 O ATOM 1505 CB LYS A 383 -4.618 38.596 14.744 1.00 87.40 C ATOM 1506 CG LYS A 383 -3.385 39.475 14.725 1.00 86.18 C ATOM 1507 CD LYS A 383 -2.927 39.784 16.151 1.00 88.83 C ATOM 1508 CE LYS A 383 -1.636 40.573 16.235 1.00 85.33 C ATOM 1509 NZ LYS A 383 -1.307 40.963 17.642 1.00 86.46 N ATOM 1510 HZ1 LYS A 383 -2.074 41.552 18.025 1.00 0.00 H ATOM 1511 HZ2 LYS A 383 -1.203 40.106 18.223 1.00 0.00 H ATOM 1512 HZ3 LYS A 383 -0.417 41.501 17.652 1.00 0.00 H ATOM 1513 H LYS A 383 -6.178 40.411 13.626 1.00 0.00 H ATOM 1514 N TYR A 384 -7.525 37.226 13.441 1.00 91.40 N ATOM 1515 CA TYR A 384 -8.405 36.047 13.414 1.00 91.88 C ATOM 1516 C TYR A 384 -8.317 35.351 12.065 1.00 94.25 C ATOM 1517 O TYR A 384 -8.338 34.125 12.007 1.00 93.11 O ATOM 1518 CB TYR A 384 -9.863 36.384 13.789 1.00 94.12 C ATOM 1519 CG TYR A 384 -10.720 37.037 12.718 1.00 97.54 C ATOM 1520 CD1 TYR A 384 -10.810 38.422 12.618 1.00100.25 C ATOM 1521 CD2 TYR A 384 -11.543 36.272 11.890 1.00 98.09 C ATOM 1522 CE1 TYR A 384 -11.635 39.027 11.666 1.00102.46 C ATOM 1523 CE2 TYR A 384 -12.355 36.865 10.922 1.00 98.81 C ATOM 1524 CZ TYR A 384 -12.406 38.245 10.818 1.00109.18 C ATOM 1525 OH TYR A 384 -13.248 38.846 9.902 1.00113.81 O ATOM 1526 HH TYR A 384 -13.155 39.830 9.966 1.00 0.00 H ATOM 1527 H TYR A 384 -7.957 38.171 13.492 1.00 0.00 H ATOM 1528 N MET A 385 -8.198 36.158 10.990 1.00 90.75 N ATOM 1529 CA MET A 385 -8.046 35.732 9.600 1.00 90.27 C ATOM 1530 C MET A 385 -6.696 35.014 9.448 1.00 90.15 C ATOM 1531 O MET A 385 -6.638 33.977 8.783 1.00 89.70 O ATOM 1532 CB MET A 385 -8.135 36.952 8.651 1.00 93.20 C ATOM 1533 CG MET A 385 -9.526 37.517 8.529 1.00 98.09 C ATOM 1534 SD MET A 385 -9.616 39.141 7.726 1.00103.86 S ATOM 1535 CE MET A 385 -9.777 38.640 6.000 1.00100.82 C ATOM 1536 H MET A 385 -8.216 37.183 11.168 1.00 0.00 H ATOM 1537 N MET A 386 -5.626 35.559 10.102 1.00 83.34 N ATOM 1538 CA MET A 386 -4.244 35.032 10.118 1.00 81.03 C ATOM 1539 C MET A 386 -4.140 33.691 10.811 1.00 83.85 C ATOM 1540 O MET A 386 -3.447 32.820 10.298 1.00 84.35 O ATOM 1541 CB MET A 386 -3.277 36.006 10.789 1.00 82.47 C ATOM 1542 CG MET A 386 -2.882 37.146 9.927 1.00 85.23 C ATOM 1543 SD MET A 386 -1.921 38.321 10.890 1.00 88.68 S ATOM 1544 CE MET A 386 -2.204 39.788 9.944 1.00 85.20 C ATOM 1545 H MET A 386 -5.801 36.431 10.642 1.00 0.00 H ATOM 1546 N ASN A 387 -4.799 33.531 11.984 1.00 78.65 N ATOM 1547 CA ASN A 387 -4.821 32.288 12.751 1.00 77.54 C ATOM 1548 C ASN A 387 -5.591 31.236 12.028 1.00 82.74 C ATOM 1549 O ASN A 387 -5.211 30.074 12.098 1.00 84.34 O ATOM 1550 CB ASN A 387 -5.415 32.478 14.131 1.00 73.25 C ATOM 1551 CG ASN A 387 -4.569 33.300 15.049 1.00 82.49 C ATOM 1552 OD1 ASN A 387 -3.344 33.149 15.105 1.00 85.68 O ATOM 1553 ND2 ASN A 387 -5.210 34.173 15.809 1.00 66.10 N ATOM 1554 HD22 ASN A 387 -6.243 34.270 15.732 1.00 0.00 H ATOM 1555 HD21 ASN A 387 -4.681 34.762 16.484 1.00 0.00 H ATOM 1556 H ASN A 387 -5.323 34.346 12.363 1.00 0.00 H ATOM 1557 N SER A 388 -6.662 31.628 11.324 1.00 78.99 N ATOM 1558 CA SER A 388 -7.507 30.716 10.552 1.00 78.59 C ATOM 1559 C SER A 388 -6.671 29.968 9.521 1.00 80.01 C ATOM 1560 O SER A 388 -6.913 28.781 9.321 1.00 80.93 O ATOM 1561 CB SER A 388 -8.628 31.485 9.857 1.00 84.32 C ATOM 1562 OG SER A 388 -9.608 30.625 9.295 1.00 99.22 O ATOM 1563 HG SER A 388 -10.310 31.168 8.858 1.00 0.00 H ATOM 1564 H SER A 388 -6.907 32.639 11.326 1.00 0.00 H ATOM 1565 N VAL A 389 -5.664 30.652 8.906 1.00 73.45 N ATOM 1566 CA VAL A 389 -4.737 30.104 7.899 1.00 72.30 C ATOM 1567 C VAL A 389 -3.808 29.062 8.538 1.00 76.55 C ATOM 1568 O VAL A 389 -3.588 27.995 7.962 1.00 76.17 O ATOM 1569 CB VAL A 389 -3.932 31.228 7.185 1.00 75.66 C ATOM 1570 CG1 VAL A 389 -2.792 30.664 6.357 1.00 75.42 C ATOM 1571 CG2 VAL A 389 -4.830 32.103 6.317 1.00 75.36 C ATOM 1572 H VAL A 389 -5.539 31.650 9.171 1.00 0.00 H ATOM 1573 N LEU A 390 -3.305 29.381 9.749 1.00 73.44 N ATOM 1574 CA LEU A 390 -2.369 28.612 10.573 1.00 73.34 C ATOM 1575 C LEU A 390 -2.954 27.351 11.253 1.00 80.33 C ATOM 1576 O LEU A 390 -2.219 26.609 11.909 1.00 81.57 O ATOM 1577 CB LEU A 390 -1.754 29.558 11.619 1.00 72.66 C ATOM 1578 CG LEU A 390 -0.917 30.719 11.069 1.00 76.18 C ATOM 1579 CD1 LEU A 390 -0.758 31.798 12.100 1.00 76.09 C ATOM 1580 CD2 LEU A 390 0.442 30.247 10.564 1.00 76.81 C ATOM 1581 H LEU A 390 -3.622 30.288 10.148 1.00 0.00 H ATOM 1582 N GLU A 391 -4.254 27.101 11.075 1.00 78.01 N ATOM 1583 CA GLU A 391 -4.986 25.953 11.616 1.00 78.77 C ATOM 1584 C GLU A 391 -4.870 24.756 10.630 1.00 84.06 C ATOM 1585 O GLU A 391 -5.484 23.696 10.853 1.00 86.15 O ATOM 1586 CB GLU A 391 -6.472 26.357 11.825 1.00 80.18 C ATOM 1587 CG GLU A 391 -7.280 25.442 12.731 1.00 91.93 C ATOM 1588 CD GLU A 391 -8.292 26.128 13.632 1.00133.51 C ATOM 1589 OE1 GLU A 391 -8.162 27.356 13.856 1.00133.38 O ATOM 1590 OE2 GLU A 391 -9.208 25.431 14.130 1.00137.40 O ATOM 1591 H GLU A 391 -4.794 27.781 10.502 1.00 0.00 H ATOM 1592 N ASN A 392 -4.122 24.958 9.512 1.00 77.34 N ATOM 1593 CA ASN A 392 -3.896 23.986 8.428 1.00 75.38 C ATOM 1594 C ASN A 392 -2.486 24.135 7.880 1.00 76.50 C ATOM 1595 O ASN A 392 -2.203 23.783 6.735 1.00 76.11 O ATOM 1596 CB ASN A 392 -4.918 24.184 7.316 1.00 72.66 C ATOM 1597 CG ASN A 392 -6.329 23.983 7.756 1.00 95.18 C ATOM 1598 OD1 ASN A 392 -6.718 22.896 8.199 1.00 91.19 O ATOM 1599 ND2 ASN A 392 -7.122 25.034 7.643 1.00 88.31 N ATOM 1600 HD22 ASN A 392 -6.750 25.928 7.264 1.00 0.00 H ATOM 1601 HD21 ASN A 392 -8.119 24.967 7.933 1.00 0.00 H ATOM 1602 H ASN A 392 -3.666 25.887 9.413 1.00 0.00 H ATOM 1603 N PHE A 393 -1.607 24.680 8.723 1.00 70.90 N ATOM 1604 CA PHE A 393 -0.199 24.920 8.471 1.00 69.08 C ATOM 1605 C PHE A 393 0.587 24.450 9.680 1.00 73.91 C ATOM 1606 O PHE A 393 0.363 24.931 10.805 1.00 76.09 O ATOM 1607 CB PHE A 393 0.072 26.407 8.224 1.00 69.36 C ATOM 1608 CG PHE A 393 1.543 26.710 8.184 1.00 69.67 C ATOM 1609 CD1 PHE A 393 2.287 26.477 7.032 1.00 71.78 C ATOM 1610 CD2 PHE A 393 2.199 27.208 9.305 1.00 69.92 C ATOM 1611 CE1 PHE A 393 3.646 26.795 6.984 1.00 70.98 C ATOM 1612 CE2 PHE A 393 3.560 27.493 9.263 1.00 71.36 C ATOM 1613 CZ PHE A 393 4.268 27.288 8.102 1.00 69.15 C ATOM 1614 H PHE A 393 -1.969 24.962 9.657 1.00 0.00 H ATOM 1615 N THR A 394 1.547 23.547 9.422 1.00 66.68 N ATOM 1616 CA THR A 394 2.442 22.931 10.400 1.00 63.38 C ATOM 1617 C THR A 394 3.836 22.726 9.794 1.00 61.56 C ATOM 1618 O THR A 394 4.032 22.900 8.590 1.00 60.67 O ATOM 1619 CB THR A 394 1.849 21.596 10.874 1.00 64.77 C ATOM 1620 OG1 THR A 394 1.505 20.808 9.737 1.00 61.53 O ATOM 1621 CG2 THR A 394 0.641 21.771 11.779 1.00 60.72 C ATOM 1622 HG1 THR A 394 1.122 19.946 10.038 1.00 0.00 H ATOM 1623 H THR A 394 1.665 23.258 8.430 1.00 0.00 H ATOM 1624 N ILE A 395 4.805 22.390 10.638 1.00 54.97 N ATOM 1625 CA ILE A 395 6.181 22.105 10.245 1.00 54.12 C ATOM 1626 C ILE A 395 6.624 20.902 11.070 1.00 57.19 C ATOM 1627 O ILE A 395 6.276 20.806 12.246 1.00 56.89 O ATOM 1628 CB ILE A 395 7.140 23.322 10.452 1.00 56.85 C ATOM 1629 CG1 ILE A 395 6.852 24.480 9.468 1.00 56.42 C ATOM 1630 CG2 ILE A 395 8.607 22.889 10.383 1.00 56.63 C ATOM 1631 CD1 ILE A 395 7.379 25.798 9.917 1.00 54.69 C ATOM 1632 H ILE A 395 4.567 22.326 11.648 1.00 0.00 H ATOM 1633 N LEU A 396 7.372 19.985 10.457 1.00 52.31 N ATOM 1634 CA LEU A 396 7.899 18.818 11.145 1.00 51.11 C ATOM 1635 C LEU A 396 9.379 18.858 10.973 1.00 56.31 C ATOM 1636 O LEU A 396 9.863 18.938 9.850 1.00 57.60 O ATOM 1637 CB LEU A 396 7.332 17.500 10.562 1.00 50.65 C ATOM 1638 CG LEU A 396 7.565 16.240 11.397 1.00 52.46 C ATOM 1639 CD1 LEU A 396 6.450 16.034 12.382 1.00 52.03 C ATOM 1640 CD2 LEU A 396 7.699 15.063 10.534 1.00 50.88 C ATOM 1641 H LEU A 396 7.587 20.109 9.447 1.00 0.00 H ATOM 1642 N GLN A 397 10.103 18.802 12.075 1.00 53.14 N ATOM 1643 CA GLN A 397 11.551 18.788 12.061 1.00 53.61 C ATOM 1644 C GLN A 397 12.041 17.419 12.578 1.00 60.68 C ATOM 1645 O GLN A 397 11.706 17.026 13.698 1.00 61.34 O ATOM 1646 CB GLN A 397 12.039 19.931 12.942 1.00 55.21 C ATOM 1647 CG GLN A 397 13.511 20.230 12.830 1.00 74.30 C ATOM 1648 CD GLN A 397 13.911 21.299 13.817 1.00 84.03 C ATOM 1649 OE1 GLN A 397 13.291 22.371 13.885 1.00 67.71 O ATOM 1650 NE2 GLN A 397 14.962 21.022 14.605 1.00 74.27 N ATOM 1651 HE22 GLN A 397 15.454 20.110 14.515 1.00 0.00 H ATOM 1652 HE21 GLN A 397 15.285 21.719 15.306 1.00 0.00 H ATOM 1653 H GLN A 397 9.613 18.766 12.992 1.00 0.00 H ATOM 1654 N VAL A 398 12.769 16.660 11.745 1.00 58.51 N ATOM 1655 CA VAL A 398 13.343 15.371 12.166 1.00 58.48 C ATOM 1656 C VAL A 398 14.875 15.429 12.121 1.00 62.19 C ATOM 1657 O VAL A 398 15.456 15.444 11.031 1.00 62.47 O ATOM 1658 CB VAL A 398 12.805 14.105 11.447 1.00 62.31 C ATOM 1659 CG1 VAL A 398 13.210 12.848 12.214 1.00 62.49 C ATOM 1660 CG2 VAL A 398 11.291 14.154 11.258 1.00 61.85 C ATOM 1661 H VAL A 398 12.933 16.992 10.773 1.00 0.00 H ATOM 1662 N VAL A 399 15.516 15.489 13.310 1.00 57.69 N ATOM 1663 CA VAL A 399 16.974 15.454 13.466 1.00 56.80 C ATOM 1664 C VAL A 399 17.310 13.955 13.638 1.00 63.78 C ATOM 1665 O VAL A 399 16.734 13.285 14.499 1.00 62.83 O ATOM 1666 CB VAL A 399 17.525 16.312 14.622 1.00 58.70 C ATOM 1667 CG1 VAL A 399 19.041 16.382 14.546 1.00 57.61 C ATOM 1668 CG2 VAL A 399 16.909 17.713 14.634 1.00 58.37 C ATOM 1669 H VAL A 399 14.937 15.565 14.171 1.00 0.00 H ATOM 1670 N THR A 400 18.206 13.436 12.783 1.00 62.89 N ATOM 1671 CA THR A 400 18.548 12.021 12.664 1.00 63.71 C ATOM 1672 C THR A 400 20.077 11.758 12.701 1.00 70.21 C ATOM 1673 O THR A 400 20.856 12.573 12.228 1.00 69.57 O ATOM 1674 CB THR A 400 17.840 11.522 11.383 1.00 71.59 C ATOM 1675 OG1 THR A 400 16.464 11.309 11.693 1.00 74.82 O ATOM 1676 CG2 THR A 400 18.430 10.251 10.788 1.00 70.46 C ATOM 1677 HG1 THR A 400 15.991 10.988 10.885 1.00 0.00 H ATOM 1678 H THR A 400 18.699 14.099 12.151 1.00 0.00 H ATOM 1679 N ASN A 401 20.498 10.626 13.290 1.00 69.10 N ATOM 1680 CA ASN A 401 21.911 10.247 13.307 1.00 70.02 C ATOM 1681 C ASN A 401 22.166 9.725 11.904 1.00 76.08 C ATOM 1682 O ASN A 401 21.650 8.674 11.578 1.00 76.64 O ATOM 1683 CB ASN A 401 22.163 9.159 14.355 1.00 68.40 C ATOM 1684 CG ASN A 401 23.597 8.744 14.500 1.00 78.62 C ATOM 1685 OD1 ASN A 401 24.392 8.760 13.553 1.00 70.86 O ATOM 1686 ND2 ASN A 401 23.945 8.347 15.706 1.00 71.97 N ATOM 1687 HD22 ASN A 401 23.246 8.349 16.476 1.00 0.00 H ATOM 1688 HD21 ASN A 401 24.919 8.032 15.889 1.00 0.00 H ATOM 1689 H ASN A 401 19.801 10.003 13.746 1.00 0.00 H ATOM 1690 N ARG A 402 22.875 10.485 11.059 1.00 73.41 N ATOM 1691 CA ARG A 402 23.092 10.170 9.646 1.00 73.89 C ATOM 1692 C ARG A 402 23.517 8.735 9.362 1.00 82.14 C ATOM 1693 O ARG A 402 22.885 8.080 8.525 1.00 83.56 O ATOM 1694 CB ARG A 402 24.067 11.148 9.006 1.00 72.43 C ATOM 1695 CG ARG A 402 23.846 11.311 7.517 1.00 81.41 C ATOM 1696 CD ARG A 402 25.040 11.953 6.862 1.00 93.11 C ATOM 1697 NE ARG A 402 26.249 11.162 7.087 1.00 98.10 N ATOM 1698 CZ ARG A 402 27.477 11.558 6.774 1.00100.84 C ATOM 1699 NH1 ARG A 402 27.675 12.741 6.195 1.00 78.53 N ATOM 1700 NH2 ARG A 402 28.514 10.772 7.021 1.00 79.09 N ATOM 1701 HE ARG A 402 26.139 10.224 7.523 1.00 0.00 H ATOM 1702 HH12 ARG A 402 28.639 13.046 5.952 1.00 0.00 H ATOM 1703 HH11 ARG A 402 26.866 13.360 5.986 1.00 0.00 H ATOM 1704 HH22 ARG A 402 29.474 11.086 6.774 1.00 0.00 H ATOM 1705 HH21 ARG A 402 28.368 9.841 7.461 1.00 0.00 H ATOM 1706 H ARG A 402 23.300 11.358 11.432 1.00 0.00 H ATOM 1707 N ASP A 403 24.539 8.234 10.078 1.00 79.48 N ATOM 1708 CA ASP A 403 25.078 6.879 9.893 1.00 79.30 C ATOM 1709 C ASP A 403 24.172 5.752 10.395 1.00 83.31 C ATOM 1710 O ASP A 403 24.192 4.666 9.804 1.00 83.00 O ATOM 1711 CB ASP A 403 26.475 6.757 10.534 1.00 81.11 C ATOM 1712 CG ASP A 403 27.384 7.939 10.261 1.00 95.53 C ATOM 1713 OD1 ASP A 403 27.680 8.199 9.068 1.00 96.39 O ATOM 1714 OD2 ASP A 403 27.788 8.618 11.240 1.00102.89 O ATOM 1715 H ASP A 403 24.973 8.840 10.804 1.00 0.00 H ATOM 1716 N THR A 404 23.408 5.989 11.495 1.00 79.16 N ATOM 1717 CA THR A 404 22.566 4.956 12.122 1.00 78.21 C ATOM 1718 C THR A 404 21.066 5.091 11.794 1.00 82.04 C ATOM 1719 O THR A 404 20.312 4.152 12.027 1.00 83.55 O ATOM 1720 CB THR A 404 22.813 4.869 13.657 1.00 80.52 C ATOM 1721 OG1 THR A 404 22.084 5.873 14.378 1.00 72.78 O ATOM 1722 CG2 THR A 404 24.292 4.901 14.030 1.00 80.43 C ATOM 1723 HG1 THR A 404 22.269 5.782 15.346 1.00 0.00 H ATOM 1724 H THR A 404 23.419 6.942 11.912 1.00 0.00 H ATOM 1725 N GLN A 405 20.651 6.228 11.231 1.00 77.35 N ATOM 1726 CA GLN A 405 19.272 6.615 10.866 1.00 76.76 C ATOM 1727 C GLN A 405 18.324 6.646 12.113 1.00 77.81 C ATOM 1728 O GLN A 405 17.088 6.730 11.969 1.00 76.38 O ATOM 1729 CB GLN A 405 18.687 5.805 9.680 1.00 78.14 C ATOM 1730 CG GLN A 405 19.456 5.947 8.360 1.00 98.71 C ATOM 1731 CD GLN A 405 20.477 4.829 8.155 1.00132.02 C ATOM 1732 OE1 GLN A 405 20.148 3.629 8.133 1.00127.66 O ATOM 1733 NE2 GLN A 405 21.746 5.195 7.980 1.00128.61 N ATOM 1734 HE22 GLN A 405 22.004 6.202 8.001 1.00 0.00 H ATOM 1735 HE21 GLN A 405 22.478 4.474 7.822 1.00 0.00 H ATOM 1736 H GLN A 405 21.390 6.929 11.023 1.00 0.00 H ATOM 1737 N GLU A 406 18.925 6.666 13.334 1.00 71.71 N ATOM 1738 CA GLU A 406 18.176 6.771 14.585 1.00 70.38 C ATOM 1739 C GLU A 406 17.544 8.161 14.701 1.00 73.36 C ATOM 1740 O GLU A 406 18.231 9.156 14.437 1.00 74.60 O ATOM 1741 CB GLU A 406 19.101 6.534 15.799 1.00 71.44 C ATOM 1742 CG GLU A 406 18.333 6.553 17.115 1.00 80.85 C ATOM 1743 CD GLU A 406 19.099 6.549 18.424 1.00 96.55 C ATOM 1744 OE1 GLU A 406 20.151 5.871 18.507 1.00 75.52 O ATOM 1745 OE2 GLU A 406 18.621 7.197 19.384 1.00 89.79 O ATOM 1746 H GLU A 406 19.962 6.604 13.379 1.00 0.00 H ATOM 1747 N THR A 407 16.258 8.241 15.123 1.00 67.22 N ATOM 1748 CA THR A 407 15.602 9.524 15.386 1.00 65.38 C ATOM 1749 C THR A 407 16.201 10.059 16.675 1.00 68.20 C ATOM 1750 O THR A 407 16.065 9.416 17.725 1.00 66.07 O ATOM 1751 CB THR A 407 14.076 9.408 15.458 1.00 66.87 C ATOM 1752 OG1 THR A 407 13.600 8.857 14.224 1.00 65.58 O ATOM 1753 CG2 THR A 407 13.396 10.763 15.722 1.00 59.67 C ATOM 1754 HG1 THR A 407 12.614 8.777 14.258 1.00 0.00 H ATOM 1755 H THR A 407 15.720 7.363 15.265 1.00 0.00 H ATOM 1756 N LEU A 408 16.948 11.196 16.557 1.00 65.07 N ATOM 1757 CA LEU A 408 17.606 11.898 17.664 1.00 64.17 C ATOM 1758 C LEU A 408 16.618 12.813 18.323 1.00 68.01 C ATOM 1759 O LEU A 408 16.541 12.830 19.536 1.00 69.06 O ATOM 1760 CB LEU A 408 18.818 12.707 17.198 1.00 63.95 C ATOM 1761 CG LEU A 408 19.981 11.926 16.615 1.00 68.00 C ATOM 1762 CD1 LEU A 408 20.944 12.866 15.943 1.00 66.95 C ATOM 1763 CD2 LEU A 408 20.670 11.053 17.681 1.00 69.79 C ATOM 1764 H LEU A 408 17.059 11.597 15.604 1.00 0.00 H ATOM 1765 N LEU A 409 15.868 13.577 17.529 1.00 63.71 N ATOM 1766 CA LEU A 409 14.804 14.474 17.980 1.00 63.30 C ATOM 1767 C LEU A 409 13.783 14.667 16.850 1.00 66.58 C ATOM 1768 O LEU A 409 14.163 14.872 15.691 1.00 66.36 O ATOM 1769 CB LEU A 409 15.338 15.863 18.423 1.00 63.25 C ATOM 1770 CG LEU A 409 15.806 16.084 19.867 1.00 67.65 C ATOM 1771 CD1 LEU A 409 16.202 17.523 20.072 1.00 67.46 C ATOM 1772 CD2 LEU A 409 14.727 15.774 20.863 1.00 70.04 C ATOM 1773 H LEU A 409 16.054 13.532 16.507 1.00 0.00 H ATOM 1774 N CYS A 410 12.493 14.601 17.189 1.00 61.97 N ATOM 1775 CA CYS A 410 11.436 14.890 16.237 1.00 60.89 C ATOM 1776 C CYS A 410 10.432 15.896 16.822 1.00 61.36 C ATOM 1777 O CYS A 410 9.650 15.559 17.718 1.00 59.22 O ATOM 1778 CB CYS A 410 10.770 13.631 15.709 1.00 61.26 C ATOM 1779 SG CYS A 410 9.278 13.952 14.739 1.00 65.71 S ATOM 1780 H CYS A 410 12.239 14.335 18.162 1.00 0.00 H ATOM 1781 N ILE A 411 10.526 17.162 16.343 1.00 56.11 N ATOM 1782 CA ILE A 411 9.693 18.280 16.791 1.00 55.21 C ATOM 1783 C ILE A 411 8.619 18.602 15.767 1.00 60.63 C ATOM 1784 O ILE A 411 8.928 18.860 14.604 1.00 60.94 O ATOM 1785 CB ILE A 411 10.488 19.581 17.201 1.00 56.87 C ATOM 1786 CG1 ILE A 411 11.716 19.320 18.083 1.00 54.49 C ATOM 1787 CG2 ILE A 411 9.575 20.537 17.926 1.00 59.11 C ATOM 1788 CD1 ILE A 411 12.949 19.474 17.401 1.00 50.08 C ATOM 1789 H ILE A 411 11.237 17.351 15.608 1.00 0.00 H ATOM 1790 N ALA A 412 7.361 18.595 16.222 1.00 57.24 N ATOM 1791 CA ALA A 412 6.170 18.963 15.459 1.00 56.77 C ATOM 1792 C ALA A 412 5.865 20.419 15.846 1.00 61.13 C ATOM 1793 O ALA A 412 5.841 20.739 17.040 1.00 60.92 O ATOM 1794 CB ALA A 412 5.002 18.060 15.843 1.00 57.05 C ATOM 1795 H ALA A 412 7.217 18.301 17.209 1.00 0.00 H ATOM 1796 N TYR A 413 5.693 21.315 14.856 1.00 57.51 N ATOM 1797 CA TYR A 413 5.420 22.739 15.124 1.00 56.73 C ATOM 1798 C TYR A 413 4.062 23.207 14.662 1.00 62.84 C ATOM 1799 O TYR A 413 3.706 23.011 13.504 1.00 62.74 O ATOM 1800 CB TYR A 413 6.489 23.645 14.511 1.00 56.29 C ATOM 1801 CG TYR A 413 7.887 23.436 15.045 1.00 54.15 C ATOM 1802 CD1 TYR A 413 8.296 24.036 16.227 1.00 55.38 C ATOM 1803 CD2 TYR A 413 8.833 22.731 14.311 1.00 54.34 C ATOM 1804 CE1 TYR A 413 9.600 23.891 16.698 1.00 56.65 C ATOM 1805 CE2 TYR A 413 10.130 22.552 14.784 1.00 55.24 C ATOM 1806 CZ TYR A 413 10.520 23.163 15.963 1.00 60.69 C ATOM 1807 OH TYR A 413 11.796 22.998 16.429 1.00 56.34 O ATOM 1808 HH TYR A 413 12.438 23.340 15.758 1.00 0.00 H ATOM 1809 H TYR A 413 5.755 20.992 13.869 1.00 0.00 H ATOM 1810 N VAL A 414 3.290 23.803 15.580 1.00 61.85 N ATOM 1811 CA VAL A 414 1.985 24.402 15.269 1.00 62.45 C ATOM 1812 C VAL A 414 2.050 25.902 15.609 1.00 67.35 C ATOM 1813 O VAL A 414 2.827 26.307 16.485 1.00 66.61 O ATOM 1814 CB VAL A 414 0.729 23.680 15.813 1.00 66.20 C ATOM 1815 CG1 VAL A 414 0.951 22.177 15.945 1.00 66.20 C ATOM 1816 CG2 VAL A 414 0.248 24.287 17.117 1.00 65.74 C ATOM 1817 H VAL A 414 3.631 23.844 16.562 1.00 0.00 H ATOM 1818 N PHE A 415 1.296 26.727 14.874 1.00 63.66 N ATOM 1819 CA PHE A 415 1.403 28.157 15.088 1.00 63.05 C ATOM 1820 C PHE A 415 0.088 28.887 15.266 1.00 69.86 C ATOM 1821 O PHE A 415 -0.952 28.464 14.758 1.00 71.26 O ATOM 1822 CB PHE A 415 2.190 28.790 13.921 1.00 64.16 C ATOM 1823 CG PHE A 415 3.588 28.247 13.693 1.00 64.89 C ATOM 1824 CD1 PHE A 415 3.791 27.073 12.968 1.00 67.16 C ATOM 1825 CD2 PHE A 415 4.702 28.926 14.171 1.00 64.95 C ATOM 1826 CE1 PHE A 415 5.081 26.573 12.763 1.00 67.28 C ATOM 1827 CE2 PHE A 415 5.987 28.423 13.964 1.00 66.82 C ATOM 1828 CZ PHE A 415 6.168 27.252 13.263 1.00 65.09 C ATOM 1829 H PHE A 415 0.642 26.348 14.159 1.00 0.00 H ATOM 1830 N GLU A 416 0.167 30.006 15.984 1.00 66.96 N ATOM 1831 CA GLU A 416 -0.830 31.045 16.197 1.00 67.53 C ATOM 1832 C GLU A 416 -0.043 32.380 16.125 1.00 71.73 C ATOM 1833 O GLU A 416 1.214 32.371 16.132 1.00 69.00 O ATOM 1834 CB GLU A 416 -1.548 30.885 17.557 1.00 69.55 C ATOM 1835 CG GLU A 416 -2.799 30.000 17.498 1.00 84.39 C ATOM 1836 CD GLU A 416 -3.848 30.080 18.604 1.00107.32 C ATOM 1837 OE1 GLU A 416 -3.531 30.523 19.733 1.00 79.85 O ATOM 1838 OE2 GLU A 416 -5.005 29.683 18.331 1.00116.08 O ATOM 1839 H GLU A 416 1.077 30.160 16.464 1.00 0.00 H ATOM 1840 N VAL A 417 -0.779 33.519 16.034 1.00 68.32 N ATOM 1841 CA VAL A 417 -0.200 34.874 16.002 1.00 66.84 C ATOM 1842 C VAL A 417 -0.119 35.395 17.457 1.00 68.93 C ATOM 1843 O VAL A 417 -1.097 35.246 18.203 1.00 68.42 O ATOM 1844 CB VAL A 417 -1.002 35.833 15.083 1.00 69.92 C ATOM 1845 CG1 VAL A 417 -0.392 37.222 15.082 1.00 69.99 C ATOM 1846 CG2 VAL A 417 -1.067 35.305 13.667 1.00 69.38 C ATOM 1847 H VAL A 417 -1.814 33.429 15.984 1.00 0.00 H ATOM 1848 N SER A 418 1.045 35.960 17.871 1.00 64.30 N ATOM 1849 CA SER A 418 1.190 36.488 19.236 1.00 64.14 C ATOM 1850 C SER A 418 0.396 37.812 19.426 1.00 72.08 C ATOM 1851 O SER A 418 0.281 38.601 18.481 1.00 73.05 O ATOM 1852 CB SER A 418 2.655 36.639 19.629 1.00 63.64 C ATOM 1853 OG SER A 418 2.817 37.184 20.930 1.00 63.87 O ATOM 1854 HG SER A 418 2.384 36.589 21.592 1.00 0.00 H ATOM 1855 H SER A 418 1.847 36.020 17.212 1.00 0.00 H ATOM 1856 N ALA A 419 -0.213 37.996 20.630 1.00 68.84 N ATOM 1857 CA ALA A 419 -0.985 39.172 21.067 1.00 68.31 C ATOM 1858 C ALA A 419 -0.348 39.712 22.347 1.00 72.78 C ATOM 1859 O ALA A 419 -0.838 40.683 22.920 1.00 72.90 O ATOM 1860 CB ALA A 419 -2.429 38.778 21.345 1.00 68.84 C ATOM 1861 H ALA A 419 -0.123 37.220 21.317 1.00 0.00 H ATOM 1862 N SER A 420 0.759 39.074 22.783 1.00 69.11 N ATOM 1863 CA SER A 420 1.516 39.398 23.988 1.00 68.26 C ATOM 1864 C SER A 420 2.345 40.656 23.854 1.00 74.15 C ATOM 1865 O SER A 420 3.016 40.865 22.848 1.00 75.73 O ATOM 1866 CB SER A 420 2.421 38.237 24.395 1.00 67.31 C ATOM 1867 OG SER A 420 3.158 38.557 25.563 1.00 65.38 O ATOM 1868 HG SER A 420 3.736 37.791 25.807 1.00 0.00 H ATOM 1869 H SER A 420 1.104 38.279 22.208 1.00 0.00 H ATOM 1870 N GLU A 421 2.360 41.453 24.914 1.00 69.33 N ATOM 1871 CA GLU A 421 3.176 42.646 24.971 1.00 68.40 C ATOM 1872 C GLU A 421 4.661 42.259 25.253 1.00 70.43 C ATOM 1873 O GLU A 421 5.516 43.148 25.286 1.00 70.30 O ATOM 1874 CB GLU A 421 2.647 43.562 26.088 1.00 69.55 C ATOM 1875 CG GLU A 421 1.427 44.392 25.746 1.00 75.15 C ATOM 1876 CD GLU A 421 1.169 45.513 26.738 1.00 95.09 C ATOM 1877 OE1 GLU A 421 2.142 45.974 27.380 1.00 71.30 O ATOM 1878 OE2 GLU A 421 -0.004 45.932 26.877 1.00 96.65 O ATOM 1879 H GLU A 421 1.765 41.212 25.732 1.00 0.00 H ATOM 1880 N HIS A 422 4.963 40.952 25.490 1.00 64.91 N ATOM 1881 CA HIS A 422 6.332 40.505 25.838 1.00 63.40 C ATOM 1882 C HIS A 422 7.022 39.644 24.757 1.00 65.07 C ATOM 1883 O HIS A 422 7.981 38.919 25.048 1.00 63.36 O ATOM 1884 CB HIS A 422 6.354 39.792 27.193 1.00 63.81 C ATOM 1885 CG HIS A 422 5.815 40.620 28.302 1.00 67.28 C ATOM 1886 ND1 HIS A 422 6.653 41.321 29.148 1.00 69.67 N ATOM 1887 CD2 HIS A 422 4.532 40.845 28.661 1.00 69.28 C ATOM 1888 CE1 HIS A 422 5.852 41.966 29.985 1.00 69.40 C ATOM 1889 NE2 HIS A 422 4.563 41.712 29.723 1.00 69.41 N ATOM 1890 H HIS A 422 4.205 40.243 25.424 1.00 0.00 H ATOM 1891 N GLY A 423 6.567 39.798 23.518 1.00 61.91 N ATOM 1892 CA GLY A 423 7.119 39.099 22.370 1.00 62.17 C ATOM 1893 C GLY A 423 6.568 37.703 22.156 1.00 67.62 C ATOM 1894 O GLY A 423 5.613 37.293 22.831 1.00 67.87 O ATOM 1895 H GLY A 423 5.774 40.453 23.362 1.00 0.00 H ATOM 1896 N ALA A 424 7.179 36.968 21.191 1.00 63.06 N ATOM 1897 CA ALA A 424 6.805 35.617 20.801 1.00 61.98 C ATOM 1898 C ALA A 424 6.828 34.689 22.007 1.00 67.85 C ATOM 1899 O ALA A 424 7.765 34.742 22.809 1.00 69.37 O ATOM 1900 CB ALA A 424 7.743 35.107 19.730 1.00 62.19 C ATOM 1901 H ALA A 424 7.979 37.406 20.691 1.00 0.00 H ATOM 1902 N GLN A 425 5.757 33.893 22.169 1.00 63.51 N ATOM 1903 CA GLN A 425 5.590 32.937 23.267 1.00 62.40 C ATOM 1904 C GLN A 425 5.558 31.520 22.685 1.00 63.15 C ATOM 1905 O GLN A 425 5.525 31.357 21.460 1.00 60.48 O ATOM 1906 CB GLN A 425 4.302 33.234 24.078 1.00 64.14 C ATOM 1907 CG GLN A 425 4.221 34.614 24.764 1.00 74.99 C ATOM 1908 CD GLN A 425 5.438 34.937 25.617 1.00 88.14 C ATOM 1909 OE1 GLN A 425 5.808 34.184 26.534 1.00 83.29 O ATOM 1910 NE2 GLN A 425 6.081 36.074 25.333 1.00 65.28 N ATOM 1911 HE22 GLN A 425 5.745 36.682 24.559 1.00 0.00 H ATOM 1912 HE21 GLN A 425 6.917 36.351 25.886 1.00 0.00 H ATOM 1913 H GLN A 425 4.994 33.960 21.466 1.00 0.00 H ATOM 1914 N HIS A 426 5.635 30.504 23.564 1.00 60.04 N ATOM 1915 CA HIS A 426 5.608 29.097 23.184 1.00 59.73 C ATOM 1916 C HIS A 426 5.231 28.162 24.335 1.00 65.29 C ATOM 1917 O HIS A 426 5.450 28.498 25.506 1.00 64.86 O ATOM 1918 CB HIS A 426 6.941 28.650 22.510 1.00 59.87 C ATOM 1919 CG HIS A 426 8.082 28.416 23.447 1.00 62.79 C ATOM 1920 ND1 HIS A 426 9.091 29.356 23.607 1.00 64.13 N ATOM 1921 CD2 HIS A 426 8.340 27.355 24.245 1.00 64.27 C ATOM 1922 CE1 HIS A 426 9.898 28.856 24.523 1.00 63.42 C ATOM 1923 NE2 HIS A 426 9.484 27.656 24.941 1.00 64.01 N ATOM 1924 H HIS A 426 5.719 30.736 24.574 1.00 0.00 H ATOM 1925 N HIS A 427 4.730 26.962 23.989 1.00 63.10 N ATOM 1926 CA HIS A 427 4.413 25.902 24.944 1.00 64.73 C ATOM 1927 C HIS A 427 5.012 24.602 24.404 1.00 66.95 C ATOM 1928 O HIS A 427 4.715 24.223 23.269 1.00 66.50 O ATOM 1929 CB HIS A 427 2.892 25.734 25.126 1.00 67.54 C ATOM 1930 CG HIS A 427 2.262 26.574 26.195 1.00 72.48 C ATOM 1931 ND1 HIS A 427 2.613 26.435 27.529 1.00 75.09 N ATOM 1932 CD2 HIS A 427 1.248 27.469 26.102 1.00 75.23 C ATOM 1933 CE1 HIS A 427 1.846 27.288 28.195 1.00 74.93 C ATOM 1934 NE2 HIS A 427 0.997 27.923 27.381 1.00 75.30 N ATOM 1935 H HIS A 427 4.558 26.777 22.980 1.00 0.00 H ATOM 1936 N ILE A 428 5.887 23.941 25.179 1.00 62.87 N ATOM 1937 CA ILE A 428 6.456 22.667 24.736 1.00 62.30 C ATOM 1938 C ILE A 428 5.679 21.524 25.394 1.00 67.71 C ATOM 1939 O ILE A 428 5.406 21.551 26.603 1.00 67.90 O ATOM 1940 CB ILE A 428 7.985 22.494 24.911 1.00 64.66 C ATOM 1941 CG1 ILE A 428 8.790 23.770 24.561 1.00 64.62 C ATOM 1942 CG2 ILE A 428 8.492 21.272 24.134 1.00 63.87 C ATOM 1943 CD1 ILE A 428 9.662 24.281 25.736 1.00 68.20 C ATOM 1944 H ILE A 428 6.162 24.337 26.100 1.00 0.00 H ATOM 1945 N TYR A 429 5.320 20.530 24.580 1.00 63.24 N ATOM 1946 CA TYR A 429 4.605 19.351 25.017 1.00 62.62 C ATOM 1947 C TYR A 429 5.363 18.120 24.616 1.00 69.97 C ATOM 1948 O TYR A 429 5.957 18.086 23.542 1.00 69.93 O ATOM 1949 CB TYR A 429 3.230 19.309 24.357 1.00 62.76 C ATOM 1950 CG TYR A 429 2.375 20.516 24.657 1.00 63.65 C ATOM 1951 CD1 TYR A 429 1.644 20.599 25.835 1.00 65.17 C ATOM 1952 CD2 TYR A 429 2.280 21.570 23.753 1.00 64.16 C ATOM 1953 CE1 TYR A 429 0.862 21.710 26.123 1.00 64.63 C ATOM 1954 CE2 TYR A 429 1.485 22.679 24.022 1.00 64.65 C ATOM 1955 CZ TYR A 429 0.789 22.747 25.216 1.00 72.84 C ATOM 1956 OH TYR A 429 0.010 23.828 25.520 1.00 81.31 O ATOM 1957 HH TYR A 429 -0.404 23.695 26.409 1.00 0.00 H ATOM 1958 H TYR A 429 5.569 20.607 23.573 1.00 0.00 H ATOM 1959 N ARG A 430 5.337 17.095 25.461 1.00 69.62 N ATOM 1960 CA ARG A 430 5.922 15.795 25.131 1.00 70.01 C ATOM 1961 C ARG A 430 4.812 15.018 24.439 1.00 71.32 C ATOM 1962 O ARG A 430 3.702 14.983 24.979 1.00 71.64 O ATOM 1963 CB ARG A 430 6.331 15.028 26.389 1.00 72.17 C ATOM 1964 CG ARG A 430 7.533 15.585 27.128 1.00 84.58 C ATOM 1965 CD ARG A 430 7.810 14.760 28.373 1.00 99.79 C ATOM 1966 NE ARG A 430 6.658 14.718 29.287 1.00112.85 N ATOM 1967 CZ ARG A 430 5.836 13.678 29.434 1.00121.65 C ATOM 1968 NH1 ARG A 430 4.820 13.743 30.287 1.00103.46 N ATOM 1969 NH2 ARG A 430 6.027 12.564 28.733 1.00102.37 N ATOM 1970 HE ARG A 430 6.470 15.564 29.862 1.00 0.00 H ATOM 1971 HH12 ARG A 430 4.182 12.930 30.398 1.00 0.00 H ATOM 1972 HH11 ARG A 430 4.663 14.607 30.844 1.00 0.00 H ATOM 1973 HH22 ARG A 430 5.382 11.757 28.853 1.00 0.00 H ATOM 1974 HH21 ARG A 430 6.821 12.500 28.065 1.00 0.00 H ATOM 1975 H ARG A 430 4.885 17.221 26.389 1.00 0.00 H ATOM 1976 N LEU A 431 5.092 14.428 23.242 1.00 65.99 N ATOM 1977 CA LEU A 431 4.130 13.629 22.455 1.00 64.87 C ATOM 1978 C LEU A 431 4.093 12.174 22.960 1.00 72.21 C ATOM 1979 O LEU A 431 5.134 11.518 23.052 1.00 73.04 O ATOM 1980 CB LEU A 431 4.468 13.654 20.953 1.00 63.38 C ATOM 1981 CG LEU A 431 4.044 14.864 20.119 1.00 64.55 C ATOM 1982 CD1 LEU A 431 4.695 14.811 18.763 1.00 63.41 C ATOM 1983 CD2 LEU A 431 2.555 14.905 19.907 1.00 64.34 C ATOM 1984 H LEU A 431 6.050 14.549 22.856 1.00 0.00 H ATOM 1985 N VAL A 432 2.905 11.692 23.329 1.00 69.94 N ATOM 1986 CA VAL A 432 2.707 10.338 23.861 1.00 70.48 C ATOM 1987 C VAL A 432 1.507 9.643 23.158 1.00 76.29 C ATOM 1988 O VAL A 432 0.840 10.304 22.352 1.00 77.15 O ATOM 1989 CB VAL A 432 2.577 10.360 25.416 1.00 74.62 C ATOM 1990 CG1 VAL A 432 3.882 10.803 26.084 1.00 75.00 C ATOM 1991 CG2 VAL A 432 1.411 11.228 25.880 1.00 74.26 C ATOM 1992 H VAL A 432 2.073 12.309 23.235 1.00 0.00 H ATOM 1993 N LYS A 433 1.228 8.332 23.452 1.00 71.69 N ATOM 1994 CA LYS A 433 0.081 7.627 22.860 1.00 81.45 C ATOM 1995 C LYS A 433 -1.191 7.705 23.738 1.00121.47 C ATOM 1996 O LYS A 433 -1.243 7.221 24.873 1.00 83.51 O ATOM 1997 CB LYS A 433 0.405 6.174 22.450 1.00 83.36 C ATOM 1998 CG LYS A 433 1.400 5.442 23.347 1.00 98.46 C ATOM 1999 CD LYS A 433 0.823 4.121 23.873 1.00107.25 C ATOM 2000 CE LYS A 433 1.840 3.219 24.543 1.00113.73 C ATOM 2001 NZ LYS A 433 2.515 3.864 25.707 1.00117.33 N ATOM 2002 HZ1 LYS A 433 3.013 4.719 25.387 1.00 0.00 H ATOM 2003 HZ2 LYS A 433 1.803 4.122 26.420 1.00 0.00 H ATOM 2004 HZ3 LYS A 433 3.198 3.199 26.122 1.00 0.00 H ATOM 2005 H LYS A 433 1.847 7.821 24.114 1.00 0.00 H TER 2006 LYS A 433 HETATM 2007 O HOH 1 -1.313 26.738 4.304 1.00 62.76 O HETATM 2008 O HOH 2 11.855 6.841 14.644 1.00 57.56 O HETATM 2009 O HOH 3 4.100 22.113 28.997 1.00 59.14 O HETATM 2010 O HOH 4 20.665 41.573 5.647 1.00 47.23 O HETATM 2011 O HOH 5 -0.624 42.991 9.526 1.00 72.64 O HETATM 2012 O HOH 6 17.027 9.197 21.044 1.00 55.18 O HETATM 2013 O HOH 7 16.650 27.712 1.748 1.00 60.89 O HETATM 2014 O HOH 8 27.479 8.002 17.292 1.00 65.96 O HETATM 2015 O HOH 9 9.861 13.511 25.815 1.00 76.37 O HETATM 2016 O HOH 10 2.944 14.411 2.140 1.00 52.67 O HETATM 2017 O HOH 11 25.001 40.582 10.007 1.00 51.28 O HETATM 2018 O HOH 12 18.217 22.582 1.802 1.00 54.53 O HETATM 2019 C ACE A 13 -11.524 18.147 11.543 1.00 0.18 C HETATM 2020 O ACE A 13 -12.156 19.186 11.328 1.00 -0.40 O HETATM 2021 CH3 ACE A 13 -10.869 17.380 10.402 1.00 0.03 C HETATM 2022 H1 ACE A 13 -10.360 16.491 10.803 1.00 0.05 H HETATM 2023 H2 ACE A 13 -10.136 18.027 9.899 1.00 0.05 H HETATM 2024 H3 ACE A 13 -11.639 17.068 9.681 1.00 0.05 H HETATM 2025 N ACE A 13 -11.361 17.612 12.750 1.00 -0.27 N HETATM 2026 CA ACE A 13 -11.923 18.172 13.987 1.00 0.13 C HETATM 2027 C ACE A 13 -11.296 19.568 14.290 1.00 0.21 C HETATM 2028 O ACE A 13 -10.079 19.711 14.094 1.00 -0.39 O HETATM 2029 N ACE A 13 -12.096 20.627 14.662 1.00 -0.25 N HETATM 2030 CA ACE A 13 -11.496 21.955 14.925 1.00 0.13 C HETATM 2031 C ACE A 13 -10.395 21.872 15.972 1.00 0.20 C HETATM 2032 O ACE A 13 -10.562 21.124 16.939 1.00 -0.39 O HETATM 2033 N ACE A 13 -9.282 22.621 15.794 1.00 -0.26 N HETATM 2034 CA ACE A 13 -8.173 22.554 16.744 1.00 0.13 C HETATM 2035 C ACE A 13 -8.599 22.802 18.187 1.00 0.20 C HETATM 2036 O ACE A 13 -8.175 22.042 19.056 1.00 -0.39 O HETATM 2037 N ACE A 13 -9.517 23.766 18.429 1.00 -0.26 N HETATM 2038 CA ACE A 13 -10.043 24.044 19.773 1.00 0.13 C HETATM 2039 C ACE A 13 -10.908 22.892 20.362 1.00 0.20 C HETATM 2040 O ACE A 13 -11.035 22.796 21.582 1.00 -0.39 O HETATM 2041 N ACE A 13 -11.461 22.013 19.500 1.00 -0.26 N HETATM 2042 CA ACE A 13 -12.322 20.881 19.883 1.00 0.13 C HETATM 2043 C ACE A 13 -11.576 19.530 20.081 1.00 0.20 C HETATM 2044 O ACE A 13 -12.194 18.535 20.472 1.00 -0.39 O HETATM 2045 N ACE A 13 -10.257 19.504 19.828 1.00 -0.26 N HETATM 2046 CA ACE A 13 -9.419 18.307 19.967 1.00 0.13 C HETATM 2047 C ACE A 13 -8.950 18.110 21.424 1.00 0.20 C HETATM 2048 O ACE A 13 -8.882 19.075 22.192 1.00 -0.39 O HETATM 2049 N ACE A 13 -8.605 16.860 21.784 1.00 -0.26 N HETATM 2050 CA ACE A 13 -8.143 16.442 23.116 1.00 0.15 C HETATM 2051 C ACE A 13 -6.706 16.939 23.370 1.00 0.21 C HETATM 2052 O ACE A 13 -5.728 16.192 23.239 1.00 -0.39 O HETATM 2053 N ACE A 13 -6.587 18.240 23.693 1.00 -0.26 N HETATM 2054 CA ACE A 13 -5.299 18.902 23.942 1.00 0.13 C HETATM 2055 C ACE A 13 -5.376 19.705 25.246 1.00 0.21 C HETATM 2056 O ACE A 13 -6.460 20.240 25.519 1.00 -0.39 O HETATM 2057 N ACE A 13 -4.251 19.865 26.026 1.00 -0.25 N HETATM 2058 CA ACE A 13 -4.310 20.655 27.275 1.00 0.13 C HETATM 2059 C ACE A 13 -4.828 22.084 27.080 1.00 0.21 C HETATM 2060 O ACE A 13 -4.621 22.643 25.999 1.00 -0.39 O HETATM 2061 N ACE A 13 -5.551 22.660 28.084 1.00 -0.25 N HETATM 2062 CA ACE A 13 -6.134 24.012 27.919 1.00 0.13 C HETATM 2063 C ACE A 13 -5.161 25.128 27.555 1.00 0.20 C HETATM 2064 O ACE A 13 -5.576 26.134 26.968 1.00 -0.39 O HETATM 2065 N ACE A 13 -3.869 24.940 27.912 1.00 -0.26 N HETATM 2066 CA ACE A 13 -2.757 25.853 27.685 1.00 0.15 C HETATM 2067 C ACE A 13 -2.419 25.989 26.212 1.00 0.21 C HETATM 2068 O ACE A 13 -1.817 26.989 25.814 1.00 -0.39 O HETATM 2069 N ACE A 13 -2.783 24.981 25.399 1.00 -0.26 N HETATM 2070 CA ACE A 13 -2.536 24.993 23.960 1.00 0.14 C HETATM 2071 C ACE A 13 -3.134 26.239 23.323 1.00 0.21 C HETATM 2072 O ACE A 13 -2.497 26.839 22.450 1.00 -0.39 O HETATM 2073 N ACE A 13 -4.326 26.653 23.814 1.00 -0.26 N HETATM 2074 CA ACE A 13 -5.062 27.820 23.333 1.00 0.14 C HETATM 2075 C ACE A 13 -4.854 29.055 24.209 1.00 0.21 C HETATM 2076 O ACE A 13 -5.278 30.139 23.814 1.00 -0.39 O HETATM 2077 N ACE A 13 -4.139 28.911 25.354 1.00 -0.26 N HETATM 2078 CA ACE A 13 -3.830 30.020 26.278 1.00 0.16 C HETATM 2079 C ACE A 13 -2.344 30.442 26.206 1.00 0.21 C HETATM 2080 O ACE A 13 -1.482 29.869 26.900 1.00 -0.39 O HETATM 2081 N ACE A 13 -2.076 31.486 25.395 1.00 -0.26 N HETATM 2082 CA ACE A 13 -0.757 32.075 25.204 1.00 0.13 C HETATM 2083 C ACE A 13 -0.153 32.520 26.550 1.00 0.21 C HETATM 2084 O ACE A 13 -0.873 33.146 27.335 1.00 -0.39 O HETATM 2085 N ACE A 13 1.141 32.207 26.843 1.00 -0.25 N HETATM 2086 CA ACE A 13 1.740 32.664 28.113 1.00 0.13 C HETATM 2087 C ACE A 13 1.907 34.186 28.167 1.00 0.20 C HETATM 2088 O ACE A 13 1.895 34.849 27.131 1.00 -0.39 O HETATM 2089 N ACE A 13 2.000 34.750 29.376 1.00 -0.30 N HETATM 2090 H136 ACE A 13 2.110 35.740 29.459 1.00 0.18 H HETATM 2091 H137 ACE A 13 1.960 34.181 30.198 1.00 0.18 H HETATM 2092 CB ACE A 13 3.100 31.949 28.155 1.00 -0.01 C HETATM 2093 CG ACE A 13 3.079 30.948 27.063 1.00 -0.03 C HETATM 2094 CD ACE A 13 2.116 31.437 26.043 1.00 0.04 C HETATM 2095 H134 ACE A 13 2.616 32.081 25.304 1.00 0.05 H HETATM 2096 H135 ACE A 13 1.628 30.597 25.527 1.00 0.05 H HETATM 2097 H132 ACE A 13 2.754 29.972 27.452 1.00 0.03 H HETATM 2098 H133 ACE A 13 4.081 30.851 26.620 1.00 0.03 H HETATM 2099 H130 ACE A 13 3.238 31.450 29.126 1.00 0.03 H HETATM 2100 H131 ACE A 13 3.914 32.671 27.994 1.00 0.03 H HETATM 2101 H129 ACE A 13 1.115 32.348 28.962 1.00 0.08 H HETATM 2102 CB ACE A 13 -0.839 33.258 24.215 1.00 -0.00 C HETATM 2103 CG ACE A 13 0.520 33.878 23.903 1.00 0.00 C HETATM 2104 CD ACE A 13 0.614 35.064 22.960 1.00 0.04 C HETATM 2105 OE1 ACE A 13 1.758 35.487 22.675 1.00 -0.57 O HETATM 2106 OE2 ACE A 13 -0.440 35.571 22.510 1.00 -0.57 O HETATM 2107 H127 ACE A 13 1.142 33.080 23.472 1.00 0.04 H HETATM 2108 H128 ACE A 13 0.950 34.200 24.863 1.00 0.04 H HETATM 2109 H125 ACE A 13 -1.485 34.034 24.651 1.00 0.03 H HETATM 2110 H126 ACE A 13 -1.282 32.898 23.275 1.00 0.03 H HETATM 2111 H124 ACE A 13 -0.097 31.309 24.770 1.00 0.08 H HETATM 2112 H123 ACE A 13 -2.839 31.885 24.887 1.00 0.19 H HETATM 2113 CB ACE A 13 -4.290 29.713 27.727 1.00 0.09 C HETATM 2114 OG1 ACE A 13 -5.639 29.229 27.730 1.00 -0.39 O HETATM 2115 H119 ACE A 13 -5.690 28.433 27.213 1.00 0.21 H HETATM 2116 CG2 ACE A 13 -4.163 30.918 28.650 1.00 -0.03 C HETATM 2117 H120 ACE A 13 -4.502 30.644 29.660 1.00 0.03 H HETATM 2118 H121 ACE A 13 -4.784 31.741 28.266 1.00 0.03 H HETATM 2119 H122 ACE A 13 -3.112 31.240 28.691 1.00 0.03 H HETATM 2120 H118 ACE A 13 -3.640 28.919 28.122 1.00 0.06 H HETATM 2121 H117 ACE A 13 -4.418 30.886 25.939 1.00 0.08 H HETATM 2122 H116 ACE A 13 -3.801 27.999 25.585 1.00 0.19 H HETATM 2123 CB ACE A 13 -6.556 27.483 23.136 1.00 0.02 C HETATM 2124 CG ACE A 13 -6.782 26.075 22.625 1.00 -0.04 C HETATM 2125 CD1 ACE A 13 -6.459 25.732 21.314 1.00 -0.06 C HETATM 2126 CE1 ACE A 13 -6.573 24.409 20.870 1.00 -0.07 C HETATM 2127 CZ ACE A 13 -7.018 23.429 21.732 1.00 -0.07 C HETATM 2128 CE2 ACE A 13 -7.353 23.752 23.030 1.00 -0.07 C HETATM 2129 CD2 ACE A 13 -7.221 25.070 23.481 1.00 -0.06 C HETATM 2130 H112 ACE A 13 -7.464 25.311 24.510 1.00 0.06 H HETATM 2131 H114 ACE A 13 -7.719 22.984 23.702 1.00 0.06 H HETATM 2132 H115 ACE A 13 -7.104 22.404 21.389 1.00 0.06 H HETATM 2133 H113 ACE A 13 -6.311 24.155 19.849 1.00 0.06 H HETATM 2134 H111 ACE A 13 -6.115 26.499 20.629 1.00 0.06 H HETATM 2135 H109 ACE A 13 -6.983 28.192 22.411 1.00 0.05 H HETATM 2136 H110 ACE A 13 -7.071 27.592 24.102 1.00 0.05 H HETATM 2137 H108 ACE A 13 -4.655 28.067 22.341 1.00 0.08 H HETATM 2138 H107 ACE A 13 -4.731 26.122 24.558 1.00 0.19 H HETATM 2139 CB ACE A 13 -3.113 23.749 23.308 1.00 0.02 C HETATM 2140 CG ACE A 13 -2.535 23.440 21.954 1.00 -0.04 C HETATM 2141 CD1 ACE A 13 -2.987 24.101 20.819 1.00 -0.06 C HETATM 2142 CE1 ACE A 13 -2.475 23.790 19.566 1.00 -0.07 C HETATM 2143 CZ ACE A 13 -1.522 22.808 19.441 1.00 -0.07 C HETATM 2144 CE2 ACE A 13 -1.055 22.150 20.552 1.00 -0.07 C HETATM 2145 CD2 ACE A 13 -1.574 22.450 21.803 1.00 -0.06 C HETATM 2146 H103 ACE A 13 -1.225 21.905 22.673 1.00 0.06 H HETATM 2147 H105 ACE A 13 -0.282 21.397 20.452 1.00 0.06 H HETATM 2148 H106 ACE A 13 -1.137 22.552 18.461 1.00 0.06 H HETATM 2149 H104 ACE A 13 -2.826 24.321 18.689 1.00 0.06 H HETATM 2150 H102 ACE A 13 -3.748 24.868 20.912 1.00 0.06 H HETATM 2151 H100 ACE A 13 -4.198 23.889 23.196 1.00 0.05 H HETATM 2152 H101 ACE A 13 -2.920 22.892 23.970 1.00 0.05 H HETATM 2153 H99 ACE A 13 -1.449 25.003 23.794 1.00 0.08 H HETATM 2154 H98 ACE A 13 -3.243 24.188 25.798 1.00 0.19 H HETATM 2155 CB ACE A 13 -1.531 25.358 28.435 1.00 0.08 C HETATM 2156 OG ACE A 13 -1.237 24.027 28.051 1.00 -0.39 O HETATM 2157 H97 ACE A 13 -0.470 23.724 28.523 1.00 0.21 H HETATM 2158 H95 ACE A 13 -1.727 25.391 29.517 1.00 0.06 H HETATM 2159 H96 ACE A 13 -0.673 26.004 28.198 1.00 0.06 H HETATM 2160 H94 ACE A 13 -3.037 26.844 28.071 1.00 0.08 H HETATM 2161 H93 ACE A 13 -3.655 24.083 28.381 1.00 0.19 H HETATM 2162 CB ACE A 13 -6.775 24.281 29.279 1.00 -0.01 C HETATM 2163 CG ACE A 13 -7.058 22.926 29.828 1.00 -0.03 C HETATM 2164 CD ACE A 13 -5.897 22.095 29.406 1.00 0.04 C HETATM 2165 H91 ACE A 13 -5.059 22.197 30.112 1.00 0.05 H HETATM 2166 H92 ACE A 13 -6.178 21.035 29.322 1.00 0.05 H HETATM 2167 H89 ACE A 13 -7.993 22.526 29.410 1.00 0.03 H HETATM 2168 H90 ACE A 13 -7.132 22.960 30.925 1.00 0.03 H HETATM 2169 H87 ACE A 13 -7.705 24.857 29.164 1.00 0.03 H HETATM 2170 H88 ACE A 13 -6.083 24.830 29.934 1.00 0.03 H HETATM 2171 H86 ACE A 13 -6.906 23.976 27.136 1.00 0.08 H HETATM 2172 CB ACE A 13 -2.866 20.617 27.785 1.00 -0.01 C HETATM 2173 CG ACE A 13 -2.331 19.349 27.254 1.00 -0.03 C HETATM 2174 CD ACE A 13 -2.905 19.278 25.861 1.00 0.04 C HETATM 2175 H84 ACE A 13 -2.301 19.866 25.154 1.00 0.05 H HETATM 2176 H85 ACE A 13 -2.968 18.237 25.512 1.00 0.05 H HETATM 2177 H82 ACE A 13 -2.667 18.496 27.861 1.00 0.03 H HETATM 2178 H83 ACE A 13 -1.232 19.368 27.225 1.00 0.03 H HETATM 2179 H80 ACE A 13 -2.840 20.622 28.885 1.00 0.03 H HETATM 2180 H81 ACE A 13 -2.293 21.474 27.401 1.00 0.03 H HETATM 2181 H79 ACE A 13 -4.973 20.154 27.996 1.00 0.08 H HETATM 2182 CB ACE A 13 -4.947 19.865 22.780 1.00 -0.01 C HETATM 2183 CG ACE A 13 -4.926 19.312 21.366 1.00 -0.04 C HETATM 2184 CD1 ACE A 13 -5.026 20.414 20.362 1.00 -0.06 C HETATM 2185 H73 ACE A 13 -5.009 19.989 19.348 1.00 0.02 H HETATM 2186 H74 ACE A 13 -4.176 21.101 20.486 1.00 0.02 H HETATM 2187 H75 ACE A 13 -5.967 20.963 20.513 1.00 0.02 H HETATM 2188 CD2 ACE A 13 -3.709 18.483 21.125 1.00 -0.06 C HETATM 2189 H76 ACE A 13 -3.658 17.680 21.875 1.00 0.02 H HETATM 2190 H77 ACE A 13 -2.813 19.116 21.203 1.00 0.02 H HETATM 2191 H78 ACE A 13 -3.759 18.042 20.119 1.00 0.02 H HETATM 2192 H72 ACE A 13 -5.806 18.663 21.245 1.00 0.03 H HETATM 2193 H70 ACE A 13 -3.945 20.271 22.986 1.00 0.03 H HETATM 2194 H71 ACE A 13 -5.684 20.681 22.799 1.00 0.03 H HETATM 2195 H69 ACE A 13 -4.513 18.137 24.029 1.00 0.08 H HETATM 2196 H68 ACE A 13 -7.421 18.786 23.768 1.00 0.19 H HETATM 2197 CB ACE A 13 -8.337 14.893 23.282 1.00 0.08 C HETATM 2198 CG ACE A 13 -7.828 14.217 24.552 1.00 0.18 C HETATM 2199 OD1 ACE A 13 -7.404 13.046 24.520 1.00 -0.40 O HETATM 2200 ND2 ACE A 13 -7.869 14.910 25.696 1.00 -0.30 N HETATM 2201 H66 ACE A 13 -7.543 14.494 26.545 1.00 0.18 H HETATM 2202 H67 ACE A 13 -8.226 15.844 25.702 1.00 0.18 H HETATM 2203 H64 ACE A 13 -7.828 14.411 22.434 1.00 0.06 H HETATM 2204 H65 ACE A 13 -9.417 14.695 23.222 1.00 0.06 H HETATM 2205 H63 ACE A 13 -8.786 16.929 23.864 1.00 0.08 H HETATM 2206 H62 ACE A 13 -8.669 16.151 21.082 1.00 0.19 H HETATM 2207 CB ACE A 13 -8.202 18.367 19.012 1.00 -0.01 C HETATM 2208 CG ACE A 13 -8.553 18.619 17.549 1.00 -0.02 C HETATM 2209 CD ACE A 13 -7.459 18.218 16.580 1.00 0.06 C HETATM 2210 NE ACE A 13 -7.821 18.570 15.205 1.00 -0.27 N HETATM 2211 CZ ACE A 13 -7.293 18.024 14.111 1.00 0.29 C HETATM 2212 NH1 ACE A 13 -6.360 17.084 14.210 1.00 -0.28 N HETATM 2213 H58 ACE A 13 -5.957 16.667 13.359 1.00 0.26 H HETATM 2214 H59 ACE A 13 -6.040 16.772 15.138 1.00 0.26 H HETATM 2215 NH2 ACE A 13 -7.693 18.417 12.908 1.00 -0.28 N HETATM 2216 H60 ACE A 13 -8.416 19.145 12.818 1.00 0.26 H HETATM 2217 H61 ACE A 13 -7.280 17.994 12.064 1.00 0.26 H HETATM 2218 H57 ACE A 13 -8.540 19.296 15.074 1.00 0.26 H HETATM 2219 H55 ACE A 13 -7.303 17.131 16.644 1.00 0.07 H HETATM 2220 H56 ACE A 13 -6.529 18.739 16.852 1.00 0.07 H HETATM 2221 H53 ACE A 13 -8.754 19.693 17.420 1.00 0.03 H HETATM 2222 H54 ACE A 13 -9.459 18.045 17.306 1.00 0.03 H HETATM 2223 H51 ACE A 13 -7.668 17.407 19.076 1.00 0.03 H HETATM 2224 H52 ACE A 13 -7.540 19.178 19.350 1.00 0.03 H HETATM 2225 H50 ACE A 13 -10.029 17.435 19.687 1.00 0.08 H HETATM 2226 H49 ACE A 13 -9.820 20.351 19.527 1.00 0.19 H HETATM 2227 CB ACE A 13 -13.440 20.727 18.866 1.00 -0.02 C HETATM 2228 H46 ACE A 13 -14.082 19.881 19.153 1.00 0.03 H HETATM 2229 H47 ACE A 13 -13.008 20.539 17.872 1.00 0.03 H HETATM 2230 H48 ACE A 13 -14.039 21.649 18.837 1.00 0.03 H HETATM 2231 H45 ACE A 13 -12.779 21.137 20.850 1.00 0.08 H HETATM 2232 H44 ACE A 13 -11.272 22.140 18.526 1.00 0.19 H HETATM 2233 CB ACE A 13 -10.794 25.384 19.811 1.00 -0.01 C HETATM 2234 CG ACE A 13 -10.804 26.023 21.200 1.00 -0.02 C HETATM 2235 CD ACE A 13 -10.922 27.530 21.147 1.00 0.06 C HETATM 2236 NE ACE A 13 -9.618 28.187 21.239 1.00 -0.27 N HETATM 2237 CZ ACE A 13 -8.902 28.606 20.195 1.00 0.29 C HETATM 2238 NH1 ACE A 13 -9.356 28.438 18.957 1.00 -0.28 N HETATM 2239 H40 ACE A 13 -8.798 28.764 18.155 1.00 0.26 H HETATM 2240 H41 ACE A 13 -10.266 27.982 18.800 1.00 0.26 H HETATM 2241 NH2 ACE A 13 -7.727 29.199 20.383 1.00 -0.28 N HETATM 2242 H42 ACE A 13 -7.365 29.334 21.338 1.00 0.26 H HETATM 2243 H43 ACE A 13 -7.178 29.523 19.574 1.00 0.26 H HETATM 2244 H39 ACE A 13 -9.224 28.337 22.179 1.00 0.26 H HETATM 2245 H37 ACE A 13 -11.549 27.867 21.986 1.00 0.07 H HETATM 2246 H38 ACE A 13 -11.397 27.816 20.197 1.00 0.07 H HETATM 2247 H35 ACE A 13 -9.868 25.761 21.715 1.00 0.03 H HETATM 2248 H36 ACE A 13 -11.658 25.623 21.766 1.00 0.03 H HETATM 2249 H33 ACE A 13 -11.834 25.212 19.497 1.00 0.03 H HETATM 2250 H34 ACE A 13 -10.309 26.078 19.109 1.00 0.03 H HETATM 2251 H32 ACE A 13 -9.170 24.147 20.434 1.00 0.08 H HETATM 2252 H31 ACE A 13 -9.852 24.312 17.661 1.00 0.19 H HETATM 2253 CB ACE A 13 -7.000 23.436 16.347 1.00 -0.01 C HETATM 2254 CG ACE A 13 -5.794 22.685 15.790 1.00 -0.04 C HETATM 2255 CD1 ACE A 13 -4.903 23.608 15.007 1.00 -0.06 C HETATM 2256 H25 ACE A 13 -4.043 23.044 14.617 1.00 0.02 H HETATM 2257 H26 ACE A 13 -4.545 24.416 15.662 1.00 0.02 H HETATM 2258 H27 ACE A 13 -5.469 24.040 14.168 1.00 0.02 H HETATM 2259 CD2 ACE A 13 -4.998 22.000 16.893 1.00 -0.06 C HETATM 2260 H28 ACE A 13 -5.660 21.328 17.459 1.00 0.02 H HETATM 2261 H29 ACE A 13 -4.581 22.760 17.570 1.00 0.02 H HETATM 2262 H30 ACE A 13 -4.179 21.418 16.446 1.00 0.02 H HETATM 2263 H24 ACE A 13 -6.167 21.907 15.107 1.00 0.03 H HETATM 2264 H22 ACE A 13 -6.674 23.994 17.238 1.00 0.03 H HETATM 2265 H23 ACE A 13 -7.348 24.142 15.579 1.00 0.03 H HETATM 2266 H21 ACE A 13 -7.806 21.518 16.707 1.00 0.08 H HETATM 2267 H20 ACE A 13 -9.217 23.228 15.002 1.00 0.19 H HETATM 2268 CB ACE A 13 -12.682 22.786 15.446 1.00 -0.01 C HETATM 2269 CG ACE A 13 -13.863 22.124 14.936 1.00 -0.03 C HETATM 2270 CD ACE A 13 -13.548 20.662 14.918 1.00 0.04 C HETATM 2271 H18 ACE A 13 -13.788 20.196 15.885 1.00 0.05 H HETATM 2272 H19 ACE A 13 -14.101 20.150 14.117 1.00 0.05 H HETATM 2273 H16 ACE A 13 -14.089 22.478 13.919 1.00 0.03 H HETATM 2274 H17 ACE A 13 -14.723 22.320 15.592 1.00 0.03 H HETATM 2275 H14 ACE A 13 -12.625 23.818 15.069 1.00 0.03 H HETATM 2276 H15 ACE A 13 -12.691 22.798 16.546 1.00 0.03 H HETATM 2277 H13 ACE A 13 -11.088 22.389 14.000 1.00 0.08 H HETATM 2278 CB ACE A 13 -11.821 17.124 15.155 1.00 -0.01 C HETATM 2279 CG1 ACE A 13 -10.463 16.417 15.191 1.00 -0.06 C HETATM 2280 H7 ACE A 13 -10.446 15.698 16.023 1.00 0.02 H HETATM 2281 H8 ACE A 13 -9.666 17.161 15.333 1.00 0.02 H HETATM 2282 H9 ACE A 13 -10.302 15.884 14.242 1.00 0.02 H HETATM 2283 CG2 ACE A 13 -12.198 17.699 16.522 1.00 -0.06 C HETATM 2284 H10 ACE A 13 -13.177 18.197 16.453 1.00 0.02 H HETATM 2285 H11 ACE A 13 -11.437 18.429 16.835 1.00 0.02 H HETATM 2286 H12 ACE A 13 -12.252 16.885 17.260 1.00 0.02 H HETATM 2287 H6 ACE A 13 -12.568 16.348 14.933 1.00 0.03 H HETATM 2288 H5 ACE A 13 -12.996 18.343 13.814 1.00 0.08 H HETATM 2289 H4 ACE A 13 -10.820 16.774 12.820 1.00 0.19 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 351 352 357 358 359 CONECT 358 351 CONECT 359 351 CONECT 793 794 800 801 802 CONECT 800 793 CONECT 801 793 CONECT 802 793 CONECT 1096 1097 1103 1104 1105 CONECT 1103 1096 CONECT 1104 1096 CONECT 1105 1096 CONECT 2019 2020 2021 2025 CONECT 2020 2019 CONECT 2021 2019 2022 2023 2024 CONECT 2022 2021 CONECT 2023 2021 CONECT 2024 2021 CONECT 2025 2019 2026 2289 CONECT 2026 2025 2027 2278 2288 CONECT 2027 2026 2028 2029 CONECT 2028 2027 CONECT 2029 2027 2030 2270 CONECT 2030 2029 2031 2268 2277 CONECT 2031 2030 2032 2033 CONECT 2032 2031 CONECT 2033 2031 2034 2267 CONECT 2034 2033 2035 2253 2266 CONECT 2035 2034 2036 2037 CONECT 2036 2035 CONECT 2037 2035 2038 2252 CONECT 2038 2037 2039 2233 2251 CONECT 2039 2038 2040 2041 CONECT 2040 2039 CONECT 2041 2039 2042 2232 CONECT 2042 2041 2043 2227 2231 CONECT 2043 2042 2044 2045 CONECT 2044 2043 CONECT 2045 2043 2046 2226 CONECT 2046 2045 2047 2207 2225 CONECT 2047 2046 2048 2049 CONECT 2048 2047 CONECT 2049 2047 2050 2206 CONECT 2050 2049 2051 2197 2205 CONECT 2051 2050 2052 2053 CONECT 2052 2051 CONECT 2053 2051 2054 2196 CONECT 2054 2053 2055 2182 2195 CONECT 2055 2054 2056 2057 CONECT 2056 2055 CONECT 2057 2055 2058 2174 CONECT 2058 2057 2059 2172 2181 CONECT 2059 2058 2060 2061 CONECT 2060 2059 CONECT 2061 2059 2062 2164 CONECT 2062 2061 2063 2162 2171 CONECT 2063 2062 2064 2065 CONECT 2064 2063 CONECT 2065 2063 2066 2161 CONECT 2066 2065 2067 2155 2160 CONECT 2067 2066 2068 2069 CONECT 2068 2067 CONECT 2069 2067 2070 2154 CONECT 2070 2069 2071 2139 2153 CONECT 2071 2070 2072 2073 CONECT 2072 2071 CONECT 2073 2071 2074 2138 CONECT 2074 2073 2075 2123 2137 CONECT 2075 2074 2076 2077 CONECT 2076 2075 CONECT 2077 2075 2078 2122 CONECT 2078 2077 2079 2113 2121 CONECT 2079 2078 2080 2081 CONECT 2080 2079 CONECT 2081 2079 2082 2112 CONECT 2082 2081 2083 2102 2111 CONECT 2083 2082 2084 2085 CONECT 2084 2083 CONECT 2085 2083 2086 2094 CONECT 2086 2085 2087 2092 2101 CONECT 2087 2086 2088 2089 CONECT 2088 2087 CONECT 2089 2087 2090 2091 CONECT 2090 2089 CONECT 2091 2089 CONECT 2092 2086 2093 2099 2100 CONECT 2093 2092 2094 2097 2098 CONECT 2094 2085 2093 2095 2096 CONECT 2095 2094 CONECT 2096 2094 CONECT 2097 2093 CONECT 2098 2093 CONECT 2099 2092 CONECT 2100 2092 CONECT 2101 2086 CONECT 2102 2082 2103 2109 2110 CONECT 2103 2102 2104 2107 2108 CONECT 2104 2103 2105 2106 CONECT 2105 2104 CONECT 2106 2104 CONECT 2107 2103 CONECT 2108 2103 CONECT 2109 2102 CONECT 2110 2102 CONECT 2111 2082 CONECT 2112 2081 CONECT 2113 2078 2114 2116 2120 CONECT 2114 2113 2115 CONECT 2115 2114 CONECT 2116 2113 2117 2118 2119 CONECT 2117 2116 CONECT 2118 2116 CONECT 2119 2116 CONECT 2120 2113 CONECT 2121 2078 CONECT 2122 2077 CONECT 2123 2074 2124 2135 2136 CONECT 2124 2123 2125 2129 CONECT 2125 2124 2126 2134 CONECT 2126 2125 2127 2133 CONECT 2127 2126 2128 2132 CONECT 2128 2127 2129 2131 CONECT 2129 2124 2128 2130 CONECT 2130 2129 CONECT 2131 2128 CONECT 2132 2127 CONECT 2133 2126 CONECT 2134 2125 CONECT 2135 2123 CONECT 2136 2123 CONECT 2137 2074 CONECT 2138 2073 CONECT 2139 2070 2140 2151 2152 CONECT 2140 2139 2141 2145 CONECT 2141 2140 2142 2150 CONECT 2142 2141 2143 2149 CONECT 2143 2142 2144 2148 CONECT 2144 2143 2145 2147 CONECT 2145 2140 2144 2146 CONECT 2146 2145 CONECT 2147 2144 CONECT 2148 2143 CONECT 2149 2142 CONECT 2150 2141 CONECT 2151 2139 CONECT 2152 2139 CONECT 2153 2070 CONECT 2154 2069 CONECT 2155 2066 2156 2158 2159 CONECT 2156 2155 2157 CONECT 2157 2156 CONECT 2158 2155 CONECT 2159 2155 CONECT 2160 2066 CONECT 2161 2065 CONECT 2162 2062 2163 2169 2170 CONECT 2163 2162 2164 2167 2168 CONECT 2164 2061 2163 2165 2166 CONECT 2165 2164 CONECT 2166 2164 CONECT 2167 2163 CONECT 2168 2163 CONECT 2169 2162 CONECT 2170 2162 CONECT 2171 2062 CONECT 2172 2058 2173 2179 2180 CONECT 2173 2172 2174 2177 2178 CONECT 2174 2057 2173 2175 2176 CONECT 2175 2174 CONECT 2176 2174 CONECT 2177 2173 CONECT 2178 2173 CONECT 2179 2172 CONECT 2180 2172 CONECT 2181 2058 CONECT 2182 2054 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 2054 CONECT 2196 2053 CONECT 2197 2050 2198 2203 2204 CONECT 2198 2197 2199 2200 CONECT 2199 2198 CONECT 2200 2198 2201 2202 CONECT 2201 2200 CONECT 2202 2200 CONECT 2203 2197 CONECT 2204 2197 CONECT 2205 2050 CONECT 2206 2049 CONECT 2207 2046 2208 2223 2224 CONECT 2208 2207 2209 2221 2222 CONECT 2209 2208 2210 2219 2220 CONECT 2210 2209 2211 2218 CONECT 2211 2210 2212 2215 CONECT 2212 2211 2213 2214 CONECT 2213 2212 CONECT 2214 2212 CONECT 2215 2211 2216 2217 CONECT 2216 2215 CONECT 2217 2215 CONECT 2218 2210 CONECT 2219 2209 CONECT 2220 2209 CONECT 2221 2208 CONECT 2222 2208 CONECT 2223 2207 CONECT 2224 2207 CONECT 2225 2046 CONECT 2226 2045 CONECT 2227 2042 2228 2229 2230 CONECT 2228 2227 CONECT 2229 2227 CONECT 2230 2227 CONECT 2231 2042 CONECT 2232 2041 CONECT 2233 2038 2234 2249 2250 CONECT 2234 2233 2235 2247 2248 CONECT 2235 2234 2236 2245 2246 CONECT 2236 2235 2237 2244 CONECT 2237 2236 2238 2241 CONECT 2238 2237 2239 2240 CONECT 2239 2238 CONECT 2240 2238 CONECT 2241 2237 2242 2243 CONECT 2242 2241 CONECT 2243 2241 CONECT 2244 2236 CONECT 2245 2235 CONECT 2246 2235 CONECT 2247 2234 CONECT 2248 2234 CONECT 2249 2233 CONECT 2250 2233 CONECT 2251 2038 CONECT 2252 2037 CONECT 2253 2034 2254 2264 2265 CONECT 2254 2253 2255 2259 2263 CONECT 2255 2254 2256 2257 2258 CONECT 2256 2255 CONECT 2257 2255 CONECT 2258 2255 CONECT 2259 2254 2260 2261 2262 CONECT 2260 2259 CONECT 2261 2259 CONECT 2262 2259 CONECT 2263 2254 CONECT 2264 2253 CONECT 2265 2253 CONECT 2266 2034 CONECT 2267 2033 CONECT 2268 2030 2269 2275 2276 CONECT 2269 2268 2270 2273 2274 CONECT 2270 2029 2269 2271 2272 CONECT 2271 2270 CONECT 2272 2270 CONECT 2273 2269 CONECT 2274 2269 CONECT 2275 2268 CONECT 2276 2268 CONECT 2277 2030 CONECT 2278 2026 2279 2283 2287 CONECT 2279 2278 2280 2281 2282 CONECT 2280 2279 CONECT 2281 2279 CONECT 2282 2279 CONECT 2283 2278 2284 2285 2286 CONECT 2284 2283 CONECT 2285 2283 CONECT 2286 2283 CONECT 2287 2278 CONECT 2288 2026 CONECT 2289 2025 MASTER 0 0 0 0 0 0 0 0 2285 4 285 17 END
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Entry Information
PDB ID
6seo
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
TEAD4
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
2.55(Å)
Affinity (Kd/Ki/IC50)
Kd=18uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) Protein Sci. Vol. 29: pp. 509-520
Ligand Properties
Formula
C
8
8
H
1
3
8
N
2
4
O
2
2
Molecular Weight
1884.180
Exact Mass
1883.040
No. of atoms
272
No. of bonds
277
Polar Surface Area
726.4
LOGP Value
2.65 (
Computed with XLOGP3
)
-1.45 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 69
No. of Nitrogen and Oxygen Atoms: 46
No. of Rings: 6
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N)CCC(=O)O)[C@H](O)C)Cc1ccccc1)Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)C)CC(C)C)CCC[NH+]=C(N)N)C)CCC[NH+]=C(N)N)CC(=O)N)CC(C)C
InChI String
InChI=1S/C88H136N24O22/c1-46(2)40-57(105-80(128)65-30-20-38-111(65)86(134)69(48(5)6)98-51(9)115)75(123)100-54(26-16-34-95-87(91)92)73(121)97-49(7)72(120)99-55(27-17-35-96-88(93)94)74(122)104-60(44-67(89)116)77(125)106-61(41-47(3)4)84(132)112-39-21-31-66(112)85(133)110-37-19-29-64(110)81(129)107-62(45-113)79(127)103-58(42-52-22-12-10-13-23-52)76(124)102-59(43-53-24-14-11-15-25-53)78(126)108-70(50(8)114)82(130)101-56(32-33-68(117)118)83(131)109-36-18-28-63(109)71(90)119/h10-15,22-25,46-50,54-66,69-70,113-114H,16-21,26-45H2,1-9H3,(H2,89,116)(H2,90,119)(H,97,121)(H,98,115)(H,99,120)(H,100,123)(H,101,130)(H,102,124)(H,103,127)(H,104,122)(H,105,128)(H,106,125)(H,107,129)(H,108,126)(H,117,118)(H4,91,92,95)(H4,93,94,96)/p+2/t49-,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,69-,70-/m0/s1
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Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A6NEQ2
Q15561
Entrez Gene ID
NCBI Entrez Gene ID:
220382
7004
ASD
Information of known allosteric effects of PDB entries
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