Browse entries in the PDBbind-CN Database
HEADER 5DXE_COMPLEX COMPND 5DXE_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 74 ALA LEU SER LEU THR ALA ASP GLN MET VAL SER ALA LEU SEQRES 2 A 74 LEU ASP ALA GLU PRO PRO ILE LEU TYR SER GLU TYR ASP SEQRES 3 A 74 PRO THR ARG PRO PHE SER GLU ALA SER MET MET GLY LEU SEQRES 4 A 74 LEU THR ASN LEU ALA ASP ARG GLU LEU VAL HIS MET ILE SEQRES 5 A 74 ASN TRP ALA LYS ARG VAL PRO GLY PHE VAL ASP LEU THR SEQRES 6 A 74 LEU HIS ASP GLN VAL HIS LEU LEU GLU SEQRES 1 A 35 ALA TRP LEU GLU ILE LEU MET ILE GLY LEU VAL TRP ARG SEQRES 2 A 35 SER MET GLU HIS PRO GLY LYS LEU LEU PHE ALA PRO ASN SEQRES 3 A 35 LEU LEU LEU ASP ARG ASN GLN GLY LYS SEQRES 1 A 44 VAL GLU GLY MET VAL GLU ILE PHE ASP MET LEU LEU ALA SEQRES 2 A 44 THR SER SER ARG PHE ARG MET MET ASN LEU GLN GLY GLU SEQRES 3 A 44 GLU PHE VAL CYS LEU LYS SER ILE ILE LEU LEU ASN SER SEQRES 4 A 44 GLY VAL TYR THR PHE SEQRES 1 A 58 LYS ASP HIS ILE HIS ARG VAL LEU ASP LYS ILE THR ASP SEQRES 2 A 58 THR LEU ILE HIS LEU MET ALA LYS ALA GLY LEU THR LEU SEQRES 3 A 58 GLN GLN GLN HIS GLN ARG LEU ALA GLN LEU LEU LEU ILE SEQRES 4 A 58 LEU SER HIS ILE ARG HIS MET SER ASN LYS GLY MET GLU SEQRES 5 A 58 HIS LEU TYR SER MET LYS SEQRES 1 A 17 LYS ASN VAL VAL PRO LEU SER ASP LEU LEU LEU GLU MET SEQRES 2 A 17 LEU ASP ALA HIS HET ACE A 451 207 ATOM 1 N ALA A 307 0.979 19.516 -2.714 1.00 62.52 N ATOM 2 CA ALA A 307 1.670 19.125 -1.489 1.00 62.18 C ATOM 3 C ALA A 307 0.687 18.494 -0.505 1.00 58.84 C ATOM 4 O ALA A 307 0.502 17.279 -0.502 1.00 56.39 O ATOM 5 CB ALA A 307 2.363 20.321 -0.868 1.00 65.77 C ATOM 6 HN3 ALA A 307 0.235 20.206 -2.486 1.00 0.00 H ATOM 7 HN2 ALA A 307 0.551 18.676 -3.152 1.00 0.00 H ATOM 8 HN1 ALA A 307 1.660 19.943 -3.373 1.00 0.00 H ATOM 9 N LEU A 308 0.058 19.315 0.330 1.00 58.38 N ATOM 10 CA LEU A 308 -1.117 18.872 1.077 1.00 56.84 C ATOM 11 C LEU A 308 -2.280 18.691 0.122 1.00 54.47 C ATOM 12 O LEU A 308 -3.350 18.204 0.495 1.00 48.47 O ATOM 13 CB LEU A 308 -1.514 19.881 2.142 1.00 59.56 C ATOM 14 CG LEU A 308 -0.790 19.937 3.475 1.00 61.80 C ATOM 15 CD1 LEU A 308 0.604 20.506 3.322 1.00 62.29 C ATOM 16 CD2 LEU A 308 -1.628 20.806 4.374 1.00 65.15 C ATOM 17 H LEU A 308 0.407 20.287 0.453 1.00 0.00 H ATOM 18 N SER A 309 -2.053 19.129 -1.111 1.00 58.47 N ATOM 19 CA SER A 309 -3.069 19.188 -2.148 1.00 59.34 C ATOM 20 C SER A 309 -3.243 17.859 -2.840 1.00 51.80 C ATOM 21 O SER A 309 -4.266 17.608 -3.473 1.00 51.22 O ATOM 22 CB SER A 309 -2.692 20.235 -3.187 1.00 64.99 C ATOM 23 OG SER A 309 -2.039 21.329 -2.576 1.00 69.82 O ATOM 24 HG SER A 309 -1.802 21.998 -3.266 1.00 0.00 H ATOM 25 H SER A 309 -1.092 19.448 -1.348 1.00 0.00 H ATOM 26 N LEU A 310 -2.212 17.031 -2.746 1.00 47.76 N ATOM 27 CA LEU A 310 -2.201 15.740 -3.408 1.00 41.73 C ATOM 28 C LEU A 310 -3.332 14.867 -2.929 1.00 38.95 C ATOM 29 O LEU A 310 -3.612 14.804 -1.733 1.00 39.84 O ATOM 30 CB LEU A 310 -0.879 15.021 -3.160 1.00 40.24 C ATOM 31 CG LEU A 310 0.316 15.577 -3.921 1.00 43.71 C ATOM 32 CD1 LEU A 310 1.624 15.081 -3.317 1.00 43.33 C ATOM 33 CD2 LEU A 310 0.203 15.182 -5.383 1.00 45.17 C ATOM 34 H LEU A 310 -1.386 17.315 -2.181 1.00 0.00 H ATOM 35 N THR A 311 -3.980 14.190 -3.866 1.00 31.91 N ATOM 36 CA THR A 311 -4.888 13.121 -3.503 1.00 34.54 C ATOM 37 C THR A 311 -4.085 11.889 -3.146 1.00 32.77 C ATOM 38 O THR A 311 -2.863 11.855 -3.313 1.00 32.66 O ATOM 39 CB THR A 311 -5.841 12.749 -4.635 1.00 34.68 C ATOM 40 OG1 THR A 311 -5.088 12.168 -5.705 1.00 32.02 O ATOM 41 CG2 THR A 311 -6.586 13.970 -5.141 1.00 35.19 C ATOM 42 HG1 THR A 311 -4.421 12.823 -6.031 1.00 0.00 H ATOM 43 H THR A 311 -3.836 14.428 -4.868 1.00 0.00 H ATOM 44 N ALA A 312 -4.787 10.863 -2.684 1.00 33.43 N ATOM 45 CA ALA A 312 -4.148 9.608 -2.328 1.00 30.17 C ATOM 46 C ALA A 312 -3.457 8.970 -3.529 1.00 28.05 C ATOM 47 O ALA A 312 -2.312 8.545 -3.429 1.00 24.57 O ATOM 48 CB ALA A 312 -5.162 8.656 -1.739 1.00 32.34 C ATOM 49 H ALA A 312 -5.817 10.959 -2.574 1.00 0.00 H ATOM 50 N ASP A 313 -4.144 8.898 -4.664 1.00 28.53 N ATOM 51 CA ASP A 313 -3.545 8.273 -5.842 1.00 31.59 C ATOM 52 C ASP A 313 -2.344 9.071 -6.351 1.00 28.30 C ATOM 53 O ASP A 313 -1.363 8.486 -6.805 1.00 28.76 O ATOM 54 CB ASP A 313 -4.575 8.105 -6.961 1.00 35.82 C ATOM 55 CG ASP A 313 -5.558 6.978 -6.693 1.00 42.48 C ATOM 56 OD1 ASP A 313 -5.126 5.857 -6.340 1.00 45.77 O ATOM 57 OD2 ASP A 313 -6.772 7.220 -6.838 1.00 45.72 O ATOM 58 H ASP A 313 -5.108 9.286 -4.714 1.00 0.00 H ATOM 59 N GLN A 314 -2.417 10.398 -6.275 1.00 29.33 N ATOM 60 CA GLN A 314 -1.281 11.250 -6.634 1.00 30.32 C ATOM 61 C GLN A 314 -0.102 11.056 -5.676 1.00 29.08 C ATOM 62 O GLN A 314 1.057 11.142 -6.083 1.00 27.75 O ATOM 63 CB GLN A 314 -1.690 12.728 -6.650 1.00 32.96 C ATOM 64 CG GLN A 314 -2.633 13.128 -7.776 1.00 35.98 C ATOM 65 CD GLN A 314 -3.119 14.564 -7.643 1.00 37.36 C ATOM 66 OE1 GLN A 314 -3.288 15.074 -6.534 1.00 36.20 O ATOM 67 NE2 GLN A 314 -3.340 15.224 -8.775 1.00 43.62 N ATOM 68 HE22 GLN A 314 -3.184 14.754 -9.690 1.00 0.00 H ATOM 69 HE21 GLN A 314 -3.669 16.210 -8.746 1.00 0.00 H ATOM 70 H GLN A 314 -3.302 10.840 -5.953 1.00 0.00 H ATOM 71 N MET A 315 -0.404 10.815 -4.401 1.00 26.55 N ATOM 72 CA MET A 315 0.633 10.572 -3.400 1.00 21.90 C ATOM 73 C MET A 315 1.353 9.257 -3.701 1.00 22.54 C ATOM 74 O MET A 315 2.584 9.202 -3.695 1.00 20.32 O ATOM 75 CB MET A 315 0.031 10.557 -1.986 1.00 26.36 C ATOM 76 CG MET A 315 1.011 10.195 -0.858 1.00 30.16 C ATOM 77 SD MET A 315 2.390 11.341 -0.587 1.00 30.47 S ATOM 78 CE MET A 315 1.592 12.644 0.352 1.00 36.74 C ATOM 79 H MET A 315 -1.403 10.799 -4.111 1.00 0.00 H ATOM 80 N VAL A 316 0.586 8.207 -3.983 1.00 25.24 N ATOM 81 CA VAL A 316 1.164 6.897 -4.278 1.00 24.49 C ATOM 82 C VAL A 316 2.039 6.973 -5.524 1.00 22.46 C ATOM 83 O VAL A 316 3.161 6.464 -5.543 1.00 21.20 O ATOM 84 CB VAL A 316 0.069 5.819 -4.469 1.00 29.13 C ATOM 85 CG1 VAL A 316 0.683 4.500 -4.915 1.00 28.82 C ATOM 86 CG2 VAL A 316 -0.707 5.627 -3.179 1.00 31.75 C ATOM 87 H VAL A 316 -0.448 8.321 -3.994 1.00 0.00 H ATOM 88 N SER A 317 1.527 7.621 -6.566 1.00 25.04 N ATOM 89 CA SER A 317 2.267 7.762 -7.816 1.00 25.64 C ATOM 90 C SER A 317 3.569 8.542 -7.632 1.00 25.26 C ATOM 91 O SER A 317 4.612 8.150 -8.160 1.00 24.79 O ATOM 92 CB SER A 317 1.386 8.432 -8.869 1.00 27.54 C ATOM 93 OG SER A 317 0.279 7.603 -9.173 1.00 31.00 O ATOM 94 HG SER A 317 -0.253 7.450 -8.352 1.00 0.00 H ATOM 95 H SER A 317 0.577 8.037 -6.488 1.00 0.00 H ATOM 96 N ALA A 318 3.508 9.635 -6.878 1.00 25.87 N ATOM 97 CA ALA A 318 4.704 10.416 -6.574 1.00 23.02 C ATOM 98 C ALA A 318 5.761 9.546 -5.904 1.00 22.14 C ATOM 99 O ALA A 318 6.923 9.544 -6.310 1.00 22.28 O ATOM 100 CB ALA A 318 4.359 11.601 -5.684 1.00 25.24 C ATOM 101 H ALA A 318 2.590 9.940 -6.497 1.00 0.00 H ATOM 102 N LEU A 319 5.349 8.797 -4.887 1.00 20.06 N ATOM 103 CA LEU A 319 6.287 7.981 -4.128 1.00 16.42 C ATOM 104 C LEU A 319 6.835 6.826 -4.961 1.00 16.89 C ATOM 105 O LEU A 319 8.023 6.530 -4.899 1.00 18.76 O ATOM 106 CB LEU A 319 5.632 7.450 -2.851 1.00 16.00 C ATOM 107 CG LEU A 319 5.185 8.521 -1.852 1.00 19.40 C ATOM 108 CD1 LEU A 319 4.581 7.878 -0.616 1.00 19.75 C ATOM 109 CD2 LEU A 319 6.350 9.424 -1.473 1.00 21.49 C ATOM 110 H LEU A 319 4.342 8.793 -4.629 1.00 0.00 H ATOM 111 N LEU A 320 5.984 6.179 -5.750 1.00 18.88 N ATOM 112 CA LEU A 320 6.459 5.085 -6.589 1.00 18.60 C ATOM 113 C LEU A 320 7.473 5.601 -7.615 1.00 19.59 C ATOM 114 O LEU A 320 8.497 4.960 -7.864 1.00 20.31 O ATOM 115 CB LEU A 320 5.283 4.380 -7.278 1.00 18.58 C ATOM 116 CG LEU A 320 4.397 3.537 -6.351 1.00 20.83 C ATOM 117 CD1 LEU A 320 3.102 3.130 -7.046 1.00 26.94 C ATOM 118 CD2 LEU A 320 5.146 2.305 -5.835 1.00 19.18 C ATOM 119 H LEU A 320 4.981 6.452 -5.769 1.00 0.00 H ATOM 120 N ASP A 321 7.199 6.772 -8.186 1.00 20.22 N ATOM 121 CA ASP A 321 8.091 7.383 -9.171 1.00 22.61 C ATOM 122 C ASP A 321 9.449 7.730 -8.585 1.00 22.36 C ATOM 123 O ASP A 321 10.470 7.669 -9.276 1.00 24.72 O ATOM 124 CB ASP A 321 7.468 8.654 -9.751 1.00 27.75 C ATOM 125 CG ASP A 321 6.377 8.365 -10.750 1.00 43.52 C ATOM 126 OD1 ASP A 321 6.283 7.207 -11.208 1.00 48.00 O ATOM 127 OD2 ASP A 321 5.622 9.300 -11.088 1.00 49.96 O ATOM 128 H ASP A 321 6.323 7.268 -7.923 1.00 0.00 H ATOM 129 N ALA A 322 9.448 8.102 -7.308 1.00 20.48 N ATOM 130 CA ALA A 322 10.642 8.605 -6.637 1.00 19.33 C ATOM 131 C ALA A 322 11.598 7.494 -6.213 1.00 16.27 C ATOM 132 O ALA A 322 12.717 7.765 -5.783 1.00 18.70 O ATOM 133 CB ALA A 322 10.240 9.438 -5.426 1.00 18.79 C ATOM 134 H ALA A 322 8.562 8.032 -6.767 1.00 0.00 H ATOM 135 N GLU A 323 11.159 6.247 -6.341 1.00 15.78 N ATOM 136 CA GLU A 323 11.918 5.111 -5.823 1.00 13.95 C ATOM 137 C GLU A 323 13.335 5.021 -6.373 1.00 14.89 C ATOM 138 O GLU A 323 13.550 5.151 -7.579 1.00 19.10 O ATOM 139 CB GLU A 323 11.170 3.812 -6.115 1.00 15.13 C ATOM 140 CG GLU A 323 10.118 3.495 -5.080 1.00 13.97 C ATOM 141 CD GLU A 323 10.747 3.169 -3.747 1.00 15.12 C ATOM 142 OE1 GLU A 323 11.212 2.024 -3.584 1.00 19.93 O ATOM 143 OE2 GLU A 323 10.789 4.059 -2.874 1.00 16.08 O ATOM 144 H GLU A 323 10.253 6.075 -6.822 1.00 0.00 H ATOM 145 N PRO A 324 14.310 4.807 -5.480 1.00 14.74 N ATOM 146 CA PRO A 324 15.694 4.637 -5.920 1.00 18.56 C ATOM 147 C PRO A 324 15.887 3.279 -6.566 1.00 19.60 C ATOM 148 O PRO A 324 15.089 2.370 -6.344 1.00 20.36 O ATOM 149 CB PRO A 324 16.487 4.735 -4.619 1.00 20.80 C ATOM 150 CG PRO A 324 15.546 4.157 -3.605 1.00 16.40 C ATOM 151 CD PRO A 324 14.185 4.677 -4.017 1.00 13.97 C ATOM 152 N PRO A 325 16.949 3.136 -7.357 1.00 21.05 N ATOM 153 CA PRO A 325 17.265 1.846 -7.975 1.00 20.70 C ATOM 154 C PRO A 325 17.842 0.845 -6.980 1.00 17.21 C ATOM 155 O PRO A 325 18.298 1.240 -5.902 1.00 18.07 O ATOM 156 CB PRO A 325 18.301 2.210 -9.040 1.00 21.14 C ATOM 157 CG PRO A 325 18.897 3.500 -8.587 1.00 22.69 C ATOM 158 CD PRO A 325 17.868 4.213 -7.765 1.00 21.63 C ATOM 159 N ILE A 326 17.799 -0.437 -7.329 1.00 19.01 N ATOM 160 CA ILE A 326 18.530 -1.440 -6.570 1.00 17.63 C ATOM 161 C ILE A 326 19.970 -1.456 -7.079 1.00 18.53 C ATOM 162 O ILE A 326 20.222 -1.737 -8.254 1.00 20.89 O ATOM 163 CB ILE A 326 17.896 -2.844 -6.683 1.00 20.45 C ATOM 164 CG1 ILE A 326 16.473 -2.839 -6.115 1.00 25.57 C ATOM 165 CG2 ILE A 326 18.726 -3.858 -5.921 1.00 21.40 C ATOM 166 CD1 ILE A 326 15.793 -4.208 -6.127 1.00 30.25 C ATOM 167 H ILE A 326 17.236 -0.726 -8.154 1.00 0.00 H ATOM 168 N LEU A 327 20.909 -1.123 -6.198 1.00 16.02 N ATOM 169 CA LEU A 327 22.319 -1.036 -6.565 1.00 13.76 C ATOM 170 C LEU A 327 23.039 -2.370 -6.388 1.00 16.90 C ATOM 171 O LEU A 327 22.578 -3.239 -5.645 1.00 16.45 O ATOM 172 CB LEU A 327 23.018 0.040 -5.734 1.00 15.16 C ATOM 173 CG LEU A 327 22.444 1.459 -5.810 1.00 14.57 C ATOM 174 CD1 LEU A 327 23.336 2.421 -5.053 1.00 13.22 C ATOM 175 CD2 LEU A 327 22.261 1.926 -7.250 1.00 16.23 C ATOM 176 H LEU A 327 20.630 -0.918 -5.217 1.00 0.00 H ATOM 177 N TYR A 328 24.166 -2.527 -7.075 1.00 16.77 N ATOM 178 CA TYR A 328 25.002 -3.713 -6.903 1.00 15.92 C ATOM 179 C TYR A 328 26.117 -3.445 -5.899 1.00 13.74 C ATOM 180 O TYR A 328 26.533 -2.300 -5.707 1.00 17.78 O ATOM 181 CB TYR A 328 25.588 -4.166 -8.244 1.00 16.75 C ATOM 182 CG TYR A 328 24.620 -4.999 -9.043 1.00 22.79 C ATOM 183 CD1 TYR A 328 23.552 -4.408 -9.700 1.00 24.07 C ATOM 184 CD2 TYR A 328 24.755 -6.380 -9.116 1.00 26.38 C ATOM 185 CE1 TYR A 328 22.652 -5.164 -10.416 1.00 29.04 C ATOM 186 CE2 TYR A 328 23.860 -7.145 -9.835 1.00 28.20 C ATOM 187 CZ TYR A 328 22.810 -6.530 -10.479 1.00 30.24 C ATOM 188 OH TYR A 328 21.914 -7.285 -11.194 1.00 35.24 O ATOM 189 HH TYR A 328 21.479 -7.938 -10.590 1.00 0.00 H ATOM 190 H TYR A 328 24.459 -1.791 -7.749 1.00 0.00 H ATOM 191 N SER A 329 26.582 -4.504 -5.241 1.00 16.49 N ATOM 192 CA SER A 329 27.732 -4.408 -4.347 1.00 15.14 C ATOM 193 C SER A 329 29.014 -4.674 -5.115 1.00 17.47 C ATOM 194 O SER A 329 28.980 -5.079 -6.278 1.00 17.77 O ATOM 195 CB SER A 329 27.624 -5.408 -3.197 1.00 17.33 C ATOM 196 OG SER A 329 27.930 -6.717 -3.657 1.00 21.25 O ATOM 197 HG SER A 329 27.293 -6.972 -4.371 1.00 0.00 H ATOM 198 H SER A 329 26.114 -5.424 -5.367 1.00 0.00 H ATOM 199 N GLU A 330 30.146 -4.486 -4.450 1.00 15.89 N ATOM 200 CA GLU A 330 31.426 -4.769 -5.080 1.00 19.28 C ATOM 201 C GLU A 330 31.939 -6.156 -4.734 1.00 19.06 C ATOM 202 O GLU A 330 33.146 -6.398 -4.739 1.00 22.09 O ATOM 203 CB GLU A 330 32.446 -3.711 -4.681 1.00 22.75 C ATOM 204 CG GLU A 330 32.060 -2.358 -5.223 1.00 32.45 C ATOM 205 CD GLU A 330 33.191 -1.365 -5.218 1.00 46.31 C ATOM 206 OE1 GLU A 330 34.097 -1.483 -4.366 1.00 46.48 O ATOM 207 OE2 GLU A 330 33.167 -0.458 -6.075 1.00 57.17 O ATOM 208 H GLU A 330 30.118 -4.134 -3.472 1.00 0.00 H ATOM 209 N TYR A 331 31.019 -7.070 -4.450 1.00 20.09 N ATOM 210 CA TYR A 331 31.399 -8.397 -3.988 1.00 19.10 C ATOM 211 C TYR A 331 32.379 -9.083 -4.938 1.00 18.46 C ATOM 212 O TYR A 331 32.164 -9.146 -6.152 1.00 19.91 O ATOM 213 CB TYR A 331 30.165 -9.274 -3.786 1.00 16.53 C ATOM 214 CG TYR A 331 30.502 -10.715 -3.471 1.00 17.80 C ATOM 215 CD1 TYR A 331 31.355 -11.037 -2.420 1.00 19.39 C ATOM 216 CD2 TYR A 331 29.972 -11.751 -4.223 1.00 20.00 C ATOM 217 CE1 TYR A 331 31.670 -12.350 -2.131 1.00 18.02 C ATOM 218 CE2 TYR A 331 30.283 -13.073 -3.940 1.00 21.25 C ATOM 219 CZ TYR A 331 31.133 -13.361 -2.890 1.00 18.98 C ATOM 220 OH TYR A 331 31.448 -14.669 -2.602 1.00 18.91 O ATOM 221 HH TYR A 331 32.063 -14.696 -1.827 1.00 0.00 H ATOM 222 H TYR A 331 30.012 -6.834 -4.559 1.00 0.00 H ATOM 223 N ASP A 332 33.461 -9.575 -4.341 1.00 19.13 N ATOM 224 CA ASP A 332 34.547 -10.267 -5.024 1.00 22.21 C ATOM 225 C ASP A 332 34.485 -11.765 -4.734 1.00 20.56 C ATOM 226 O ASP A 332 34.963 -12.214 -3.693 1.00 21.37 O ATOM 227 CB ASP A 332 35.889 -9.682 -4.564 1.00 27.51 C ATOM 228 CG ASP A 332 37.091 -10.410 -5.139 1.00 32.59 C ATOM 229 OD1 ASP A 332 36.929 -11.205 -6.091 1.00 27.77 O ATOM 230 OD2 ASP A 332 38.213 -10.161 -4.644 1.00 38.29 O ATOM 231 H ASP A 332 33.538 -9.457 -3.311 1.00 0.00 H ATOM 232 N PRO A 333 33.898 -12.553 -5.650 1.00 17.87 N ATOM 233 CA PRO A 333 33.778 -13.974 -5.309 1.00 17.32 C ATOM 234 C PRO A 333 35.080 -14.757 -5.434 1.00 17.88 C ATOM 235 O PRO A 333 35.055 -15.964 -5.224 1.00 18.48 O ATOM 236 CB PRO A 333 32.747 -14.505 -6.317 1.00 21.65 C ATOM 237 CG PRO A 333 32.448 -13.374 -7.266 1.00 25.80 C ATOM 238 CD PRO A 333 33.423 -12.265 -7.012 1.00 23.62 C ATOM 239 N THR A 334 36.193 -14.115 -5.768 1.00 18.74 N ATOM 240 CA THR A 334 37.438 -14.869 -5.884 1.00 20.34 C ATOM 241 C THR A 334 38.060 -15.164 -4.520 1.00 19.59 C ATOM 242 O THR A 334 38.960 -15.996 -4.420 1.00 20.79 O ATOM 243 CB THR A 334 38.490 -14.137 -6.737 1.00 22.07 C ATOM 244 OG1 THR A 334 38.885 -12.932 -6.072 1.00 23.45 O ATOM 245 CG2 THR A 334 37.941 -13.812 -8.122 1.00 24.20 C ATOM 246 HG1 THR A 334 38.094 -12.350 -5.949 1.00 0.00 H ATOM 247 H THR A 334 36.178 -13.090 -5.944 1.00 0.00 H ATOM 248 N ARG A 335 37.592 -14.476 -3.480 1.00 19.03 N ATOM 249 CA ARG A 335 38.151 -14.625 -2.134 1.00 20.52 C ATOM 250 C ARG A 335 37.083 -14.880 -1.084 1.00 18.33 C ATOM 251 O ARG A 335 35.934 -14.459 -1.233 1.00 16.56 O ATOM 252 CB ARG A 335 38.928 -13.375 -1.693 1.00 26.63 C ATOM 253 CG ARG A 335 40.198 -13.023 -2.448 1.00 36.92 C ATOM 254 CD ARG A 335 40.928 -14.228 -3.007 1.00 51.36 C ATOM 255 NE ARG A 335 41.846 -14.887 -2.082 1.00 60.47 N ATOM 256 CZ ARG A 335 42.930 -15.542 -2.485 1.00 65.83 C ATOM 257 NH1 ARG A 335 43.216 -15.592 -3.780 1.00 65.76 N ATOM 258 NH2 ARG A 335 43.731 -16.137 -1.611 1.00 68.83 N ATOM 259 HE ARG A 335 41.643 -14.842 -1.063 1.00 0.00 H ATOM 260 HH12 ARG A 335 44.062 -16.102 -4.106 1.00 0.00 H ATOM 261 HH11 ARG A 335 42.594 -15.121 -4.468 1.00 0.00 H ATOM 262 HH22 ARG A 335 44.576 -16.646 -1.942 1.00 0.00 H ATOM 263 HH21 ARG A 335 43.514 -16.095 -0.595 1.00 0.00 H ATOM 264 H ARG A 335 36.805 -13.812 -3.628 1.00 0.00 H ATOM 265 N PRO A 336 37.475 -15.524 0.020 1.00 21.23 N ATOM 266 CA PRO A 336 36.561 -15.633 1.158 1.00 17.63 C ATOM 267 C PRO A 336 36.347 -14.275 1.819 1.00 16.92 C ATOM 268 O PRO A 336 37.140 -13.358 1.597 1.00 18.32 O ATOM 269 CB PRO A 336 37.289 -16.596 2.097 1.00 22.18 C ATOM 270 CG PRO A 336 38.734 -16.401 1.769 1.00 26.45 C ATOM 271 CD PRO A 336 38.777 -16.160 0.287 1.00 23.64 C ATOM 272 N PHE A 337 35.284 -14.139 2.604 1.00 15.76 N ATOM 273 CA PHE A 337 35.098 -12.932 3.393 1.00 15.17 C ATOM 274 C PHE A 337 36.064 -12.908 4.565 1.00 16.96 C ATOM 275 O PHE A 337 36.490 -13.951 5.065 1.00 20.31 O ATOM 276 CB PHE A 337 33.674 -12.823 3.952 1.00 14.77 C ATOM 277 CG PHE A 337 32.605 -12.598 2.918 1.00 15.53 C ATOM 278 CD1 PHE A 337 32.452 -11.363 2.303 1.00 17.19 C ATOM 279 CD2 PHE A 337 31.712 -13.607 2.609 1.00 16.21 C ATOM 280 CE1 PHE A 337 31.449 -11.163 1.366 1.00 17.44 C ATOM 281 CE2 PHE A 337 30.709 -13.411 1.677 1.00 21.14 C ATOM 282 CZ PHE A 337 30.578 -12.185 1.058 1.00 19.00 C ATOM 283 H PHE A 337 34.579 -14.902 2.655 1.00 0.00 H ATOM 284 N SER A 338 36.393 -11.696 4.990 1.00 15.13 N ATOM 285 CA SER A 338 36.903 -11.429 6.324 1.00 16.46 C ATOM 286 C SER A 338 35.935 -10.442 6.949 1.00 16.90 C ATOM 287 O SER A 338 35.088 -9.886 6.258 1.00 14.99 O ATOM 288 CB SER A 338 38.307 -10.843 6.284 1.00 17.87 C ATOM 289 OG SER A 338 38.279 -9.547 5.708 1.00 17.77 O ATOM 290 HG SER A 338 39.197 -9.176 5.687 1.00 0.00 H ATOM 291 H SER A 338 36.280 -10.896 4.335 1.00 0.00 H ATOM 292 N GLU A 339 36.056 -10.221 8.248 1.00 18.87 N ATOM 293 CA GLU A 339 35.257 -9.202 8.909 1.00 14.31 C ATOM 294 C GLU A 339 35.443 -7.846 8.235 1.00 13.74 C ATOM 295 O GLU A 339 34.474 -7.133 7.957 1.00 13.12 O ATOM 296 CB GLU A 339 35.637 -9.121 10.381 1.00 16.39 C ATOM 297 CG GLU A 339 35.001 -7.982 11.140 1.00 16.67 C ATOM 298 CD GLU A 339 35.321 -8.066 12.613 1.00 22.66 C ATOM 299 OE1 GLU A 339 36.459 -7.718 12.996 1.00 26.87 O ATOM 300 OE2 GLU A 339 34.450 -8.517 13.383 1.00 23.36 O ATOM 301 H GLU A 339 36.732 -10.784 8.803 1.00 0.00 H ATOM 302 N ALA A 340 36.699 -7.501 7.967 1.00 14.29 N ATOM 303 CA ALA A 340 37.016 -6.244 7.306 1.00 14.69 C ATOM 304 C ALA A 340 36.412 -6.163 5.903 1.00 13.52 C ATOM 305 O ALA A 340 35.830 -5.144 5.545 1.00 14.62 O ATOM 306 CB ALA A 340 38.527 -6.042 7.249 1.00 15.21 C ATOM 307 H ALA A 340 37.471 -8.143 8.236 1.00 0.00 H ATOM 308 N SER A 341 36.530 -7.221 5.105 1.00 14.27 N ATOM 309 CA SER A 341 36.044 -7.114 3.730 1.00 13.57 C ATOM 310 C SER A 341 34.516 -7.103 3.685 1.00 14.68 C ATOM 311 O SER A 341 33.925 -6.425 2.842 1.00 14.16 O ATOM 312 CB SER A 341 36.610 -8.233 2.841 1.00 14.96 C ATOM 313 OG SER A 341 36.031 -9.493 3.113 1.00 17.65 O ATOM 314 HG SER A 341 36.430 -10.174 2.515 1.00 0.00 H ATOM 315 H SER A 341 36.958 -8.103 5.451 1.00 0.00 H ATOM 316 N MET A 342 33.863 -7.821 4.596 1.00 12.19 N ATOM 317 CA MET A 342 32.403 -7.798 4.599 1.00 11.30 C ATOM 318 C MET A 342 31.918 -6.420 5.034 1.00 12.95 C ATOM 319 O MET A 342 31.007 -5.868 4.427 1.00 12.79 O ATOM 320 CB MET A 342 31.803 -8.892 5.493 1.00 12.02 C ATOM 321 CG MET A 342 30.262 -8.908 5.514 1.00 14.97 C ATOM 322 SD MET A 342 29.567 -10.350 6.356 1.00 19.33 S ATOM 323 CE MET A 342 29.828 -11.627 5.128 1.00 13.53 C ATOM 324 H MET A 342 34.384 -8.389 5.294 1.00 0.00 H ATOM 325 N MET A 343 32.530 -5.855 6.068 1.00 11.39 N ATOM 326 CA MET A 343 32.153 -4.506 6.473 1.00 10.90 C ATOM 327 C MET A 343 32.431 -3.497 5.359 1.00 11.85 C ATOM 328 O MET A 343 31.667 -2.554 5.166 1.00 12.56 O ATOM 329 CB MET A 343 32.883 -4.085 7.744 1.00 10.59 C ATOM 330 CG MET A 343 32.288 -4.648 9.047 1.00 10.68 C ATOM 331 SD MET A 343 30.523 -4.304 9.271 1.00 12.72 S ATOM 332 CE MET A 343 30.485 -2.525 9.035 1.00 11.85 C ATOM 333 H MET A 343 33.272 -6.370 6.584 1.00 0.00 H ATOM 334 N GLY A 344 33.536 -3.693 4.641 1.00 12.06 N ATOM 335 CA GLY A 344 33.863 -2.849 3.505 1.00 13.87 C ATOM 336 C GLY A 344 32.777 -2.888 2.444 1.00 13.52 C ATOM 337 O GLY A 344 32.359 -1.849 1.927 1.00 13.17 O ATOM 338 H GLY A 344 34.179 -4.468 4.900 1.00 0.00 H ATOM 339 N LEU A 345 32.307 -4.089 2.124 1.00 12.19 N ATOM 340 CA LEU A 345 31.254 -4.250 1.128 1.00 13.14 C ATOM 341 C LEU A 345 29.971 -3.563 1.538 1.00 13.22 C ATOM 342 O LEU A 345 29.344 -2.868 0.742 1.00 11.82 O ATOM 343 CB LEU A 345 30.959 -5.722 0.884 1.00 16.12 C ATOM 344 CG LEU A 345 32.000 -6.524 0.125 1.00 18.74 C ATOM 345 CD1 LEU A 345 31.493 -7.942 0.012 1.00 19.60 C ATOM 346 CD2 LEU A 345 32.236 -5.920 -1.250 1.00 18.59 C ATOM 347 H LEU A 345 32.698 -4.931 2.593 1.00 0.00 H ATOM 348 N LEU A 346 29.571 -3.780 2.783 1.00 10.11 N ATOM 349 CA LEU A 346 28.305 -3.249 3.262 1.00 11.29 C ATOM 350 C LEU A 346 28.325 -1.728 3.349 1.00 10.81 C ATOM 351 O LEU A 346 27.336 -1.076 3.015 1.00 11.97 O ATOM 352 CB LEU A 346 27.957 -3.850 4.623 1.00 12.55 C ATOM 353 CG LEU A 346 27.785 -5.369 4.619 1.00 13.05 C ATOM 354 CD1 LEU A 346 27.396 -5.858 6.005 1.00 13.48 C ATOM 355 CD2 LEU A 346 26.754 -5.789 3.582 1.00 16.22 C ATOM 356 H LEU A 346 30.170 -4.337 3.425 1.00 0.00 H ATOM 357 N THR A 347 29.441 -1.158 3.802 1.00 12.22 N ATOM 358 CA THR A 347 29.509 0.293 3.957 1.00 11.21 C ATOM 359 C THR A 347 29.716 0.990 2.611 1.00 11.50 C ATOM 360 O THR A 347 29.220 2.098 2.407 1.00 12.94 O ATOM 361 CB THR A 347 30.613 0.723 4.958 1.00 11.51 C ATOM 362 OG1 THR A 347 31.881 0.190 4.562 1.00 12.33 O ATOM 363 CG2 THR A 347 30.276 0.233 6.365 1.00 13.49 C ATOM 364 HG1 THR A 347 31.830 -0.799 4.542 1.00 0.00 H ATOM 365 H THR A 347 30.264 -1.746 4.045 1.00 0.00 H ATOM 366 N ASN A 348 30.432 0.335 1.697 1.00 12.60 N ATOM 367 CA ASN A 348 30.565 0.827 0.327 1.00 10.81 C ATOM 368 C ASN A 348 29.186 0.908 -0.319 1.00 12.32 C ATOM 369 O ASN A 348 28.847 1.897 -0.967 1.00 11.80 O ATOM 370 CB ASN A 348 31.507 -0.078 -0.480 1.00 13.94 C ATOM 371 CG ASN A 348 31.514 0.243 -1.969 1.00 24.43 C ATOM 372 OD1 ASN A 348 30.649 -0.216 -2.718 1.00 28.58 O ATOM 373 ND2 ASN A 348 32.510 1.008 -2.409 1.00 24.72 N ATOM 374 HD22 ASN A 348 33.218 1.374 -1.741 1.00 0.00 H ATOM 375 HD21 ASN A 348 32.580 1.240 -3.420 1.00 0.00 H ATOM 376 H ASN A 348 30.909 -0.549 1.966 1.00 0.00 H ATOM 377 N LEU A 349 28.383 -0.130 -0.107 1.00 9.96 N ATOM 378 CA LEU A 349 27.028 -0.181 -0.641 1.00 9.78 C ATOM 379 C LEU A 349 26.170 0.919 -0.022 1.00 10.60 C ATOM 380 O LEU A 349 25.497 1.672 -0.728 1.00 10.78 O ATOM 381 CB LEU A 349 26.402 -1.559 -0.389 1.00 10.31 C ATOM 382 CG LEU A 349 24.952 -1.772 -0.833 1.00 11.10 C ATOM 383 CD1 LEU A 349 24.820 -1.588 -2.329 1.00 14.34 C ATOM 384 CD2 LEU A 349 24.479 -3.164 -0.419 1.00 12.52 C ATOM 385 H LEU A 349 28.733 -0.930 0.457 1.00 0.00 H ATOM 386 N ALA A 350 26.210 1.017 1.302 1.00 10.15 N ATOM 387 CA ALA A 350 25.443 2.029 2.017 1.00 11.04 C ATOM 388 C ALA A 350 25.756 3.422 1.507 1.00 10.08 C ATOM 389 O ALA A 350 24.859 4.246 1.329 1.00 11.64 O ATOM 390 CB ALA A 350 25.719 1.955 3.509 1.00 12.18 C ATOM 391 H ALA A 350 26.803 0.355 1.842 1.00 0.00 H ATOM 392 N ASP A 351 27.037 3.690 1.288 1.00 12.01 N ATOM 393 CA ASP A 351 27.451 5.008 0.845 1.00 11.26 C ATOM 394 C ASP A 351 26.854 5.361 -0.510 1.00 12.46 C ATOM 395 O ASP A 351 26.375 6.476 -0.724 1.00 13.77 O ATOM 396 CB ASP A 351 28.964 5.097 0.773 1.00 14.29 C ATOM 397 CG ASP A 351 29.418 6.397 0.188 1.00 17.23 C ATOM 398 OD1 ASP A 351 29.330 7.412 0.911 1.00 17.23 O ATOM 399 OD2 ASP A 351 29.829 6.409 -0.990 1.00 17.23 O ATOM 400 H ASP A 351 27.751 2.948 1.435 1.00 0.00 H ATOM 401 N ARG A 352 26.885 4.413 -1.433 1.00 11.00 N ATOM 402 CA ARG A 352 26.310 4.678 -2.737 1.00 12.37 C ATOM 403 C ARG A 352 24.780 4.792 -2.674 1.00 10.76 C ATOM 404 O ARG A 352 24.195 5.639 -3.347 1.00 12.30 O ATOM 405 CB ARG A 352 26.763 3.613 -3.732 1.00 13.73 C ATOM 406 CG ARG A 352 28.160 3.934 -4.268 1.00 13.86 C ATOM 407 CD ARG A 352 28.615 2.956 -5.317 1.00 18.69 C ATOM 408 NE ARG A 352 28.874 1.696 -4.656 1.00 16.82 N ATOM 409 CZ ARG A 352 28.211 0.569 -4.875 1.00 17.78 C ATOM 410 NH1 ARG A 352 27.258 0.507 -5.795 1.00 13.52 N ATOM 411 NH2 ARG A 352 28.525 -0.506 -4.168 1.00 15.86 N ATOM 412 HE ARG A 352 29.641 1.672 -3.954 1.00 0.00 H ATOM 413 HH12 ARG A 352 26.747 -0.384 -5.955 1.00 0.00 H ATOM 414 HH11 ARG A 352 27.022 1.350 -6.357 1.00 0.00 H ATOM 415 HH22 ARG A 352 28.016 -1.399 -4.326 1.00 0.00 H ATOM 416 HH21 ARG A 352 29.281 -0.457 -3.455 1.00 0.00 H ATOM 417 H ARG A 352 27.316 3.490 -1.225 1.00 0.00 H ATOM 418 N GLU A 353 24.137 3.981 -1.840 1.00 10.15 N ATOM 419 CA GLU A 353 22.693 4.113 -1.637 1.00 10.48 C ATOM 420 C GLU A 353 22.318 5.464 -1.022 1.00 12.18 C ATOM 421 O GLU A 353 21.269 6.034 -1.333 1.00 10.75 O ATOM 422 CB GLU A 353 22.164 3.006 -0.751 1.00 10.78 C ATOM 423 CG GLU A 353 22.237 1.633 -1.364 1.00 10.09 C ATOM 424 CD GLU A 353 21.560 0.617 -0.480 1.00 12.36 C ATOM 425 OE1 GLU A 353 22.244 0.063 0.405 1.00 13.17 O ATOM 426 OE2 GLU A 353 20.339 0.392 -0.654 1.00 14.60 O ATOM 427 H GLU A 353 24.664 3.246 -1.327 1.00 0.00 H ATOM 428 N LEU A 354 23.163 5.963 -0.127 1.00 9.95 N ATOM 429 CA LEU A 354 22.899 7.241 0.525 1.00 12.04 C ATOM 430 C LEU A 354 22.790 8.392 -0.470 1.00 11.65 C ATOM 431 O LEU A 354 21.973 9.293 -0.288 1.00 11.01 O ATOM 432 CB LEU A 354 23.981 7.542 1.557 1.00 11.84 C ATOM 433 CG LEU A 354 23.777 6.873 2.913 1.00 11.17 C ATOM 434 CD1 LEU A 354 25.033 7.044 3.751 1.00 14.06 C ATOM 435 CD2 LEU A 354 22.571 7.473 3.633 1.00 14.91 C ATOM 436 H LEU A 354 24.026 5.435 0.113 1.00 0.00 H ATOM 437 N VAL A 355 23.601 8.362 -1.524 1.00 12.34 N ATOM 438 CA VAL A 355 23.517 9.400 -2.543 1.00 12.85 C ATOM 439 C VAL A 355 22.158 9.381 -3.222 1.00 10.73 C ATOM 440 O VAL A 355 21.555 10.429 -3.434 1.00 13.64 O ATOM 441 CB VAL A 355 24.624 9.249 -3.583 1.00 16.63 C ATOM 442 CG1 VAL A 355 24.475 10.285 -4.688 1.00 18.63 C ATOM 443 CG2 VAL A 355 25.929 9.439 -2.908 1.00 17.22 C ATOM 444 H VAL A 355 24.297 7.595 -1.621 1.00 0.00 H ATOM 445 N HIS A 356 21.668 8.194 -3.558 1.00 11.59 N ATOM 446 CA HIS A 356 20.332 8.085 -4.125 1.00 11.41 C ATOM 447 C HIS A 356 19.272 8.481 -3.110 1.00 11.29 C ATOM 448 O HIS A 356 18.240 9.045 -3.479 1.00 13.21 O ATOM 449 CB HIS A 356 20.067 6.669 -4.630 1.00 12.14 C ATOM 450 CG HIS A 356 20.839 6.319 -5.861 1.00 15.31 C ATOM 451 ND1 HIS A 356 20.324 6.470 -7.131 1.00 18.41 N ATOM 452 CD2 HIS A 356 22.093 5.835 -6.018 1.00 14.83 C ATOM 453 CE1 HIS A 356 21.228 6.091 -8.017 1.00 19.32 C ATOM 454 NE2 HIS A 356 22.311 5.703 -7.368 1.00 15.94 N ATOM 455 H HIS A 356 22.241 7.338 -3.415 1.00 0.00 H ATOM 456 N MET A 357 19.525 8.190 -1.834 1.00 9.59 N ATOM 457 CA MET A 357 18.551 8.487 -0.788 1.00 8.34 C ATOM 458 C MET A 357 18.335 9.987 -0.652 1.00 9.00 C ATOM 459 O MET A 357 17.205 10.451 -0.446 1.00 10.38 O ATOM 460 CB MET A 357 18.989 7.909 0.557 1.00 9.04 C ATOM 461 CG MET A 357 17.925 8.063 1.634 1.00 10.62 C ATOM 462 SD MET A 357 18.521 7.665 3.289 1.00 10.80 S ATOM 463 CE MET A 357 19.119 5.991 3.033 1.00 10.22 C ATOM 464 H MET A 357 20.430 7.745 -1.580 1.00 0.00 H ATOM 465 N ILE A 358 19.428 10.738 -0.748 1.00 10.85 N ATOM 466 CA ILE A 358 19.365 12.186 -0.643 1.00 10.86 C ATOM 467 C ILE A 358 18.461 12.739 -1.737 1.00 12.75 C ATOM 468 O ILE A 358 17.611 13.595 -1.490 1.00 15.26 O ATOM 469 CB ILE A 358 20.770 12.812 -0.736 1.00 9.91 C ATOM 470 CG1 ILE A 358 21.575 12.472 0.522 1.00 12.66 C ATOM 471 CG2 ILE A 358 20.682 14.327 -0.944 1.00 16.68 C ATOM 472 CD1 ILE A 358 23.072 12.715 0.369 1.00 15.37 C ATOM 473 H ILE A 358 20.348 10.279 -0.902 1.00 0.00 H ATOM 474 N ASN A 359 18.613 12.224 -2.945 1.00 13.11 N ATOM 475 CA ASN A 359 17.819 12.745 -4.042 1.00 15.45 C ATOM 476 C ASN A 359 16.377 12.226 -4.009 1.00 14.35 C ATOM 477 O ASN A 359 15.458 12.934 -4.423 1.00 15.77 O ATOM 478 CB ASN A 359 18.523 12.442 -5.360 1.00 18.63 C ATOM 479 CG ASN A 359 19.829 13.212 -5.489 1.00 24.10 C ATOM 480 OD1 ASN A 359 19.823 14.422 -5.727 1.00 30.06 O ATOM 481 ND2 ASN A 359 20.951 12.527 -5.290 1.00 26.83 N ATOM 482 HD22 ASN A 359 20.909 11.507 -5.092 1.00 0.00 H ATOM 483 HD21 ASN A 359 21.870 13.011 -5.332 1.00 0.00 H ATOM 484 H ASN A 359 19.294 11.455 -3.107 1.00 0.00 H ATOM 485 N TRP A 360 16.175 11.025 -3.467 1.00 13.61 N ATOM 486 CA TRP A 360 14.827 10.505 -3.222 1.00 12.92 C ATOM 487 C TRP A 360 14.077 11.357 -2.195 1.00 11.78 C ATOM 488 O TRP A 360 12.897 11.661 -2.374 1.00 12.03 O ATOM 489 CB TRP A 360 14.885 9.044 -2.750 1.00 10.97 C ATOM 490 CG TRP A 360 13.660 8.577 -1.991 1.00 10.55 C ATOM 491 CD1 TRP A 360 12.490 8.095 -2.522 1.00 13.64 C ATOM 492 CD2 TRP A 360 13.492 8.546 -0.568 1.00 11.64 C ATOM 493 NE1 TRP A 360 11.611 7.767 -1.515 1.00 13.69 N ATOM 494 CE2 TRP A 360 12.201 8.036 -0.307 1.00 10.55 C ATOM 495 CE3 TRP A 360 14.307 8.904 0.513 1.00 10.66 C ATOM 496 CZ2 TRP A 360 11.711 7.869 0.989 1.00 11.97 C ATOM 497 CZ3 TRP A 360 13.814 8.732 1.804 1.00 11.10 C ATOM 498 CH2 TRP A 360 12.531 8.221 2.027 1.00 11.12 C ATOM 499 HE1 TRP A 360 10.656 7.379 -1.649 1.00 0.00 H ATOM 500 H TRP A 360 16.997 10.441 -3.211 1.00 0.00 H ATOM 501 N ALA A 361 14.763 11.738 -1.117 1.00 11.87 N ATOM 502 CA ALA A 361 14.128 12.504 -0.043 1.00 10.24 C ATOM 503 C ALA A 361 13.574 13.813 -0.591 1.00 11.95 C ATOM 504 O ALA A 361 12.493 14.267 -0.214 1.00 12.01 O ATOM 505 CB ALA A 361 15.113 12.771 1.090 1.00 10.45 C ATOM 506 H ALA A 361 15.769 11.486 -1.038 1.00 0.00 H ATOM 507 N LYS A 362 14.316 14.406 -1.513 1.00 11.00 N ATOM 508 CA LYS A 362 13.899 15.666 -2.107 1.00 13.54 C ATOM 509 C LYS A 362 12.619 15.528 -2.924 1.00 14.47 C ATOM 510 O LYS A 362 11.972 16.523 -3.251 1.00 15.60 O ATOM 511 CB LYS A 362 15.033 16.229 -2.961 1.00 13.53 C ATOM 512 CG LYS A 362 16.192 16.697 -2.091 1.00 15.61 C ATOM 513 CD LYS A 362 17.440 17.010 -2.896 1.00 18.79 C ATOM 514 CE LYS A 362 17.292 18.312 -3.653 1.00 20.76 C ATOM 515 NZ LYS A 362 18.575 18.688 -4.313 1.00 21.70 N ATOM 516 HZ1 LYS A 362 19.315 18.801 -3.591 1.00 0.00 H ATOM 517 HZ2 LYS A 362 18.852 17.940 -4.981 1.00 0.00 H ATOM 518 HZ3 LYS A 362 18.450 19.584 -4.826 1.00 0.00 H ATOM 519 H LYS A 362 15.208 13.965 -1.816 1.00 0.00 H ATOM 520 N ARG A 363 12.242 14.297 -3.241 1.00 15.59 N ATOM 521 CA ARG A 363 11.029 14.075 -4.007 1.00 17.54 C ATOM 522 C ARG A 363 9.873 13.639 -3.134 1.00 17.71 C ATOM 523 O ARG A 363 8.753 13.478 -3.612 1.00 21.58 O ATOM 524 CB ARG A 363 11.281 13.052 -5.096 1.00 19.60 C ATOM 525 CG ARG A 363 12.255 13.583 -6.108 1.00 24.52 C ATOM 526 CD ARG A 363 12.562 12.559 -7.140 1.00 29.95 C ATOM 527 NE ARG A 363 11.364 12.241 -7.898 1.00 36.30 N ATOM 528 CZ ARG A 363 11.354 11.461 -8.968 1.00 38.53 C ATOM 529 NH1 ARG A 363 10.217 11.222 -9.601 1.00 36.57 N ATOM 530 NH2 ARG A 363 12.485 10.921 -9.401 1.00 40.33 N ATOM 531 HE ARG A 363 10.462 12.650 -7.582 1.00 0.00 H ATOM 532 HH12 ARG A 363 10.209 10.609 -10.441 1.00 0.00 H ATOM 533 HH11 ARG A 363 9.332 11.647 -9.258 1.00 0.00 H ATOM 534 HH22 ARG A 363 12.480 10.308 -10.241 1.00 0.00 H ATOM 535 HH21 ARG A 363 13.377 11.110 -8.901 1.00 0.00 H ATOM 536 H ARG A 363 12.819 13.486 -2.939 1.00 0.00 H ATOM 537 N VAL A 364 10.136 13.457 -1.848 1.00 15.12 N ATOM 538 CA VAL A 364 9.061 13.132 -0.928 1.00 16.49 C ATOM 539 C VAL A 364 8.238 14.391 -0.655 1.00 17.74 C ATOM 540 O VAL A 364 8.796 15.413 -0.253 1.00 16.66 O ATOM 541 CB VAL A 364 9.606 12.539 0.377 1.00 13.91 C ATOM 542 CG1 VAL A 364 8.484 12.354 1.374 1.00 17.21 C ATOM 543 CG2 VAL A 364 10.299 11.203 0.091 1.00 13.44 C ATOM 544 H VAL A 364 11.111 13.547 -1.498 1.00 0.00 H ATOM 545 N PRO A 365 6.912 14.335 -0.905 1.00 19.65 N ATOM 546 CA PRO A 365 6.127 15.558 -0.731 1.00 19.71 C ATOM 547 C PRO A 365 6.362 16.270 0.582 1.00 19.19 C ATOM 548 O PRO A 365 6.336 15.682 1.665 1.00 22.60 O ATOM 549 CB PRO A 365 4.692 15.048 -0.835 1.00 20.68 C ATOM 550 CG PRO A 365 4.805 14.051 -1.909 1.00 23.99 C ATOM 551 CD PRO A 365 6.088 13.288 -1.537 1.00 20.76 C ATOM 552 N GLY A 366 6.642 17.559 0.460 1.00 21.45 N ATOM 553 CA GLY A 366 6.862 18.394 1.618 1.00 23.99 C ATOM 554 C GLY A 366 8.297 18.522 2.100 1.00 23.95 C ATOM 555 O GLY A 366 8.616 19.467 2.815 1.00 21.68 O ATOM 556 H GLY A 366 6.705 17.979 -0.490 1.00 0.00 H ATOM 557 N PHE A 367 9.169 17.593 1.721 1.00 19.71 N ATOM 558 CA PHE A 367 10.528 17.578 2.260 1.00 14.76 C ATOM 559 C PHE A 367 11.360 18.787 1.839 1.00 15.37 C ATOM 560 O PHE A 367 12.047 19.385 2.672 1.00 15.22 O ATOM 561 CB PHE A 367 11.241 16.291 1.841 1.00 13.53 C ATOM 562 CG PHE A 367 12.605 16.107 2.461 1.00 12.15 C ATOM 563 CD1 PHE A 367 12.736 15.542 3.722 1.00 12.95 C ATOM 564 CD2 PHE A 367 13.755 16.464 1.770 1.00 14.37 C ATOM 565 CE1 PHE A 367 13.976 15.348 4.287 1.00 12.58 C ATOM 566 CE2 PHE A 367 15.008 16.276 2.336 1.00 14.32 C ATOM 567 CZ PHE A 367 15.116 15.716 3.597 1.00 13.37 C ATOM 568 H PHE A 367 8.881 16.868 1.033 1.00 0.00 H ATOM 569 N VAL A 368 11.317 19.150 0.559 1.00 16.92 N ATOM 570 CA VAL A 368 12.191 20.223 0.088 1.00 22.85 C ATOM 571 C VAL A 368 11.703 21.602 0.519 1.00 24.65 C ATOM 572 O VAL A 368 12.418 22.586 0.341 1.00 29.76 O ATOM 573 CB VAL A 368 12.359 20.228 -1.447 1.00 26.66 C ATOM 574 CG1 VAL A 368 13.111 18.994 -1.908 1.00 28.84 C ATOM 575 CG2 VAL A 368 11.015 20.364 -2.146 1.00 25.37 C ATOM 576 H VAL A 368 10.668 18.675 -0.100 1.00 0.00 H ATOM 577 N ASP A 369 10.492 21.675 1.075 1.00 24.02 N ATOM 578 CA ASP A 369 9.979 22.929 1.643 1.00 26.57 C ATOM 579 C ASP A 369 10.636 23.251 2.975 1.00 23.49 C ATOM 580 O ASP A 369 10.566 24.383 3.451 1.00 25.12 O ATOM 581 CB ASP A 369 8.469 22.883 1.895 1.00 31.36 C ATOM 582 CG ASP A 369 7.658 22.595 0.657 1.00 39.24 C ATOM 583 OD1 ASP A 369 8.068 22.985 -0.456 1.00 40.18 O ATOM 584 OD2 ASP A 369 6.581 21.983 0.817 1.00 40.76 O ATOM 585 H ASP A 369 9.897 20.823 1.107 1.00 0.00 H ATOM 586 N LEU A 370 11.203 22.232 3.608 1.00 17.41 N ATOM 587 CA LEU A 370 11.840 22.404 4.901 1.00 16.55 C ATOM 588 C LEU A 370 13.123 23.191 4.724 1.00 15.30 C ATOM 589 O LEU A 370 13.695 23.193 3.634 1.00 17.06 O ATOM 590 CB LEU A 370 12.140 21.049 5.541 1.00 17.81 C ATOM 591 CG LEU A 370 10.942 20.136 5.787 1.00 18.67 C ATOM 592 CD1 LEU A 370 11.411 18.733 6.167 1.00 16.91 C ATOM 593 CD2 LEU A 370 10.049 20.721 6.870 1.00 21.11 C ATOM 594 H LEU A 370 11.191 21.290 3.168 1.00 0.00 H ATOM 595 N THR A 371 13.577 23.853 5.785 1.00 15.56 N ATOM 596 CA THR A 371 14.907 24.456 5.773 1.00 15.34 C ATOM 597 C THR A 371 15.945 23.377 5.497 1.00 14.00 C ATOM 598 O THR A 371 15.723 22.200 5.796 1.00 14.33 O ATOM 599 CB THR A 371 15.263 25.149 7.109 1.00 17.24 C ATOM 600 OG1 THR A 371 15.378 24.167 8.148 1.00 18.59 O ATOM 601 CG2 THR A 371 14.216 26.192 7.493 1.00 19.80 C ATOM 602 HG1 THR A 371 15.606 24.616 9.001 1.00 0.00 H ATOM 603 H THR A 371 12.979 23.942 6.631 1.00 0.00 H ATOM 604 N LEU A 372 17.083 23.773 4.939 1.00 12.50 N ATOM 605 CA LEU A 372 18.159 22.820 4.704 1.00 11.99 C ATOM 606 C LEU A 372 18.596 22.153 6.008 1.00 13.26 C ATOM 607 O LEU A 372 18.930 20.972 6.012 1.00 13.10 O ATOM 608 CB LEU A 372 19.348 23.498 4.026 1.00 12.03 C ATOM 609 CG LEU A 372 19.135 23.880 2.557 1.00 15.10 C ATOM 610 CD1 LEU A 372 20.291 24.726 2.040 1.00 14.92 C ATOM 611 CD2 LEU A 372 18.956 22.625 1.706 1.00 15.78 C ATOM 612 H LEU A 372 17.207 24.769 4.668 1.00 0.00 H ATOM 613 N HIS A 373 18.579 22.899 7.111 1.00 13.29 N ATOM 614 CA HIS A 373 18.937 22.322 8.406 1.00 15.52 C ATOM 615 C HIS A 373 17.980 21.205 8.813 1.00 12.24 C ATOM 616 O HIS A 373 18.409 20.176 9.337 1.00 14.75 O ATOM 617 CB HIS A 373 18.961 23.392 9.498 1.00 17.66 C ATOM 618 CG HIS A 373 20.009 24.440 9.296 1.00 18.58 C ATOM 619 ND1 HIS A 373 21.241 24.166 8.742 1.00 20.56 N ATOM 620 CD2 HIS A 373 20.007 25.765 9.572 1.00 19.65 C ATOM 621 CE1 HIS A 373 21.953 25.277 8.687 1.00 19.15 C ATOM 622 NE2 HIS A 373 21.228 26.262 9.186 1.00 21.24 N ATOM 623 H HIS A 373 18.309 23.901 7.051 1.00 0.00 H ATOM 624 N ASP A 374 16.687 21.402 8.578 1.00 11.90 N ATOM 625 CA ASP A 374 15.711 20.388 8.953 1.00 12.49 C ATOM 626 C ASP A 374 15.798 19.181 8.022 1.00 11.23 C ATOM 627 O ASP A 374 15.601 18.047 8.460 1.00 12.03 O ATOM 628 CB ASP A 374 14.296 20.970 8.964 1.00 14.47 C ATOM 629 CG ASP A 374 14.050 21.872 10.161 1.00 21.39 C ATOM 630 OD1 ASP A 374 14.857 21.835 11.116 1.00 27.81 O ATOM 631 OD2 ASP A 374 13.049 22.612 10.151 1.00 27.02 O ATOM 632 H ASP A 374 16.371 22.283 8.125 1.00 0.00 H ATOM 633 N GLN A 375 16.100 19.415 6.746 1.00 11.02 N ATOM 634 CA GLN A 375 16.332 18.315 5.815 1.00 9.72 C ATOM 635 C GLN A 375 17.515 17.472 6.270 1.00 11.32 C ATOM 636 O GLN A 375 17.455 16.238 6.261 1.00 11.33 O ATOM 637 CB GLN A 375 16.579 18.833 4.397 1.00 9.47 C ATOM 638 CG GLN A 375 15.383 19.530 3.778 1.00 11.43 C ATOM 639 CD GLN A 375 15.685 20.078 2.396 1.00 12.61 C ATOM 640 OE1 GLN A 375 16.444 19.482 1.631 1.00 14.97 O ATOM 641 NE2 GLN A 375 15.099 21.228 2.074 1.00 16.08 N ATOM 642 HE22 GLN A 375 14.465 21.696 2.752 1.00 0.00 H ATOM 643 HE21 GLN A 375 15.275 21.659 1.144 1.00 0.00 H ATOM 644 H GLN A 375 16.172 20.396 6.408 1.00 0.00 H ATOM 645 N VAL A 376 18.594 18.149 6.653 1.00 11.41 N ATOM 646 CA VAL A 376 19.778 17.479 7.173 1.00 9.10 C ATOM 647 C VAL A 376 19.411 16.658 8.404 1.00 10.77 C ATOM 648 O VAL A 376 19.756 15.481 8.494 1.00 12.64 O ATOM 649 CB VAL A 376 20.897 18.490 7.529 1.00 11.07 C ATOM 650 CG1 VAL A 376 21.978 17.823 8.375 1.00 13.05 C ATOM 651 CG2 VAL A 376 21.501 19.080 6.261 1.00 12.42 C ATOM 652 H VAL A 376 18.592 19.186 6.579 1.00 0.00 H ATOM 653 N HIS A 377 18.684 17.270 9.336 1.00 10.28 N ATOM 654 CA HIS A 377 18.324 16.590 10.573 1.00 12.09 C ATOM 655 C HIS A 377 17.509 15.325 10.320 1.00 12.53 C ATOM 656 O HIS A 377 17.802 14.268 10.887 1.00 11.45 O ATOM 657 CB HIS A 377 17.545 17.519 11.501 1.00 15.91 C ATOM 658 CG HIS A 377 17.161 16.874 12.796 1.00 19.83 C ATOM 659 ND1 HIS A 377 18.091 16.481 13.734 1.00 23.23 N ATOM 660 CD2 HIS A 377 15.953 16.519 13.292 1.00 21.62 C ATOM 661 CE1 HIS A 377 17.470 15.937 14.765 1.00 23.58 C ATOM 662 NE2 HIS A 377 16.173 15.938 14.517 1.00 21.35 N ATOM 663 H HIS A 377 18.368 18.248 9.179 1.00 0.00 H ATOM 664 N LEU A 378 16.487 15.424 9.472 1.00 11.28 N ATOM 665 CA LEU A 378 15.636 14.263 9.206 1.00 10.08 C ATOM 666 C LEU A 378 16.424 13.116 8.576 1.00 9.70 C ATOM 667 O LEU A 378 16.258 11.962 8.972 1.00 9.61 O ATOM 668 CB LEU A 378 14.456 14.639 8.310 1.00 10.65 C ATOM 669 CG LEU A 378 13.386 15.536 8.937 1.00 11.51 C ATOM 670 CD1 LEU A 378 12.263 15.798 7.942 1.00 14.27 C ATOM 671 CD2 LEU A 378 12.835 14.934 10.237 1.00 12.53 C ATOM 672 H LEU A 378 16.293 16.329 8.997 1.00 0.00 H ATOM 673 N LEU A 379 17.280 13.415 7.603 1.00 8.93 N ATOM 674 CA LEU A 379 18.088 12.364 6.989 1.00 9.60 C ATOM 675 C LEU A 379 19.119 11.792 7.969 1.00 10.41 C ATOM 676 O LEU A 379 19.315 10.579 8.024 1.00 9.28 O ATOM 677 CB LEU A 379 18.779 12.884 5.729 1.00 10.62 C ATOM 678 CG LEU A 379 17.882 12.918 4.488 1.00 10.12 C ATOM 679 CD1 LEU A 379 18.430 13.869 3.436 1.00 12.45 C ATOM 680 CD2 LEU A 379 17.712 11.517 3.909 1.00 11.07 C ATOM 681 H LEU A 379 17.374 14.399 7.279 1.00 0.00 H ATOM 682 N GLU A 380 19.779 12.647 8.743 1.00 10.98 N ATOM 683 CA GLU A 380 20.731 12.156 9.753 1.00 10.26 C ATOM 684 C GLU A 380 20.089 11.174 10.746 1.00 11.65 C ATOM 685 O GLU A 380 20.731 10.175 11.178 1.00 12.67 O ATOM 686 CB GLU A 380 21.351 13.325 10.520 1.00 11.74 C ATOM 687 CG GLU A 380 22.354 14.113 9.703 1.00 12.62 C ATOM 688 CD GLU A 380 23.019 15.206 10.507 1.00 14.59 C ATOM 689 OE1 GLU A 380 24.140 15.604 10.137 1.00 18.68 O ATOM 690 OE2 GLU A 380 22.428 15.666 11.508 1.00 16.30 O ATOM 691 H GLU A 380 19.622 13.669 8.635 1.00 0.00 H TER 692 GLU A 380 ATOM 693 N ALA A 382 17.115 9.402 10.156 1.00 9.30 N ATOM 694 CA ALA A 382 16.436 8.259 9.566 1.00 9.58 C ATOM 695 C ALA A 382 17.261 7.380 8.634 1.00 8.05 C ATOM 696 O ALA A 382 16.775 6.333 8.232 1.00 8.23 O ATOM 697 CB ALA A 382 15.203 8.740 8.820 1.00 10.71 C ATOM 698 HN3 ALA A 382 17.454 10.031 9.400 1.00 0.00 H ATOM 699 HN2 ALA A 382 17.923 9.070 10.721 1.00 0.00 H ATOM 700 HN1 ALA A 382 16.452 9.920 10.768 1.00 0.00 H ATOM 701 N TRP A 383 18.483 7.767 8.277 1.00 8.86 N ATOM 702 CA TRP A 383 19.129 7.116 7.126 1.00 10.08 C ATOM 703 C TRP A 383 19.282 5.597 7.257 1.00 8.05 C ATOM 704 O TRP A 383 19.083 4.864 6.286 1.00 8.45 O ATOM 705 CB TRP A 383 20.503 7.733 6.839 1.00 10.37 C ATOM 706 CG TRP A 383 21.539 7.458 7.891 1.00 9.63 C ATOM 707 CD1 TRP A 383 21.745 8.162 9.037 1.00 11.89 C ATOM 708 CD2 TRP A 383 22.514 6.404 7.885 1.00 9.12 C ATOM 709 NE1 TRP A 383 22.782 7.610 9.754 1.00 14.26 N ATOM 710 CE2 TRP A 383 23.271 6.529 9.069 1.00 11.30 C ATOM 711 CE3 TRP A 383 22.808 5.360 7.001 1.00 10.54 C ATOM 712 CZ2 TRP A 383 24.321 5.658 9.386 1.00 11.28 C ATOM 713 CZ3 TRP A 383 23.854 4.492 7.318 1.00 13.57 C ATOM 714 CH2 TRP A 383 24.596 4.650 8.500 1.00 11.71 C ATOM 715 HE1 TRP A 383 23.137 7.957 10.668 1.00 0.00 H ATOM 716 H TRP A 383 18.974 8.518 8.803 1.00 0.00 H ATOM 717 N LEU A 384 19.629 5.109 8.441 1.00 8.15 N ATOM 718 CA LEU A 384 19.842 3.674 8.571 1.00 9.87 C ATOM 719 C LEU A 384 18.500 2.944 8.666 1.00 7.40 C ATOM 720 O LEU A 384 18.368 1.837 8.141 1.00 9.19 O ATOM 721 CB LEU A 384 20.735 3.355 9.770 1.00 8.14 C ATOM 722 CG LEU A 384 21.125 1.881 9.958 1.00 8.95 C ATOM 723 CD1 LEU A 384 21.771 1.291 8.702 1.00 10.21 C ATOM 724 CD2 LEU A 384 22.058 1.757 11.156 1.00 12.09 C ATOM 725 H LEU A 384 19.747 5.739 9.260 1.00 0.00 H ATOM 726 N GLU A 385 17.500 3.571 9.280 1.00 7.39 N ATOM 727 CA GLU A 385 16.145 3.016 9.233 1.00 8.93 C ATOM 728 C GLU A 385 15.686 2.840 7.794 1.00 9.29 C ATOM 729 O GLU A 385 15.075 1.828 7.435 1.00 9.89 O ATOM 730 CB GLU A 385 15.150 3.910 9.961 1.00 8.67 C ATOM 731 CG GLU A 385 15.298 3.953 11.467 1.00 9.30 C ATOM 732 CD GLU A 385 14.169 4.740 12.107 1.00 12.33 C ATOM 733 OE1 GLU A 385 14.403 5.891 12.518 1.00 12.79 O ATOM 734 OE2 GLU A 385 13.041 4.214 12.181 1.00 11.46 O ATOM 735 H GLU A 385 17.681 4.457 9.794 1.00 0.00 H ATOM 736 N ILE A 386 15.972 3.842 6.971 1.00 7.28 N ATOM 737 CA ILE A 386 15.553 3.806 5.582 1.00 6.73 C ATOM 738 C ILE A 386 16.330 2.741 4.798 1.00 8.12 C ATOM 739 O ILE A 386 15.737 2.004 4.018 1.00 8.80 O ATOM 740 CB ILE A 386 15.689 5.202 4.951 1.00 7.35 C ATOM 741 CG1 ILE A 386 14.691 6.147 5.631 1.00 9.43 C ATOM 742 CG2 ILE A 386 15.446 5.146 3.448 1.00 9.14 C ATOM 743 CD1 ILE A 386 14.939 7.613 5.358 1.00 14.60 C ATOM 744 H ILE A 386 16.503 4.663 7.326 1.00 0.00 H ATOM 745 N LEU A 387 17.636 2.623 5.027 1.00 10.63 N ATOM 746 CA LEU A 387 18.400 1.553 4.386 1.00 8.55 C ATOM 747 C LEU A 387 17.869 0.190 4.803 1.00 7.90 C ATOM 748 O LEU A 387 17.756 -0.721 3.976 1.00 9.00 O ATOM 749 CB LEU A 387 19.892 1.646 4.720 1.00 10.04 C ATOM 750 CG LEU A 387 20.705 2.779 4.098 1.00 8.86 C ATOM 751 CD1 LEU A 387 22.180 2.633 4.485 1.00 11.37 C ATOM 752 CD2 LEU A 387 20.556 2.795 2.578 1.00 9.25 C ATOM 753 H LEU A 387 18.114 3.293 5.663 1.00 0.00 H ATOM 754 N MET A 388 17.525 0.055 6.081 1.00 9.26 N ATOM 755 CA MET A 388 17.074 -1.231 6.598 1.00 8.77 C ATOM 756 C MET A 388 15.693 -1.622 6.102 1.00 8.23 C ATOM 757 O MET A 388 15.458 -2.790 5.805 1.00 10.65 O ATOM 758 CB MET A 388 17.080 -1.233 8.122 1.00 7.28 C ATOM 759 CG MET A 388 18.472 -1.374 8.716 1.00 8.11 C ATOM 760 SD MET A 388 18.460 -1.288 10.509 1.00 9.97 S ATOM 761 CE MET A 388 20.131 -1.860 10.825 1.00 11.28 C ATOM 762 H MET A 388 17.578 0.876 6.718 1.00 0.00 H ATOM 763 N ILE A 389 14.763 -0.675 6.023 1.00 8.82 N ATOM 764 CA ILE A 389 13.433 -1.056 5.565 1.00 9.67 C ATOM 765 C ILE A 389 13.519 -1.408 4.077 1.00 8.35 C ATOM 766 O ILE A 389 12.823 -2.311 3.615 1.00 10.26 O ATOM 767 CB ILE A 389 12.349 0.033 5.839 1.00 8.96 C ATOM 768 CG1 ILE A 389 10.955 -0.596 5.682 1.00 10.67 C ATOM 769 CG2 ILE A 389 12.527 1.263 4.948 1.00 9.02 C ATOM 770 CD1 ILE A 389 9.778 0.349 5.886 1.00 14.08 C ATOM 771 H ILE A 389 14.979 0.309 6.281 1.00 0.00 H ATOM 772 N GLY A 390 14.407 -0.744 3.342 1.00 10.88 N ATOM 773 CA GLY A 390 14.642 -1.115 1.956 1.00 11.00 C ATOM 774 C GLY A 390 15.185 -2.532 1.843 1.00 10.82 C ATOM 775 O GLY A 390 14.739 -3.331 1.012 1.00 11.94 O ATOM 776 H GLY A 390 14.937 0.046 3.762 1.00 0.00 H ATOM 777 N LEU A 391 16.170 -2.843 2.681 1.00 10.66 N ATOM 778 CA LEU A 391 16.765 -4.176 2.703 1.00 11.32 C ATOM 779 C LEU A 391 15.725 -5.248 3.013 1.00 11.39 C ATOM 780 O LEU A 391 15.659 -6.280 2.340 1.00 11.48 O ATOM 781 CB LEU A 391 17.896 -4.238 3.729 1.00 10.31 C ATOM 782 CG LEU A 391 18.489 -5.627 3.979 1.00 10.12 C ATOM 783 CD1 LEU A 391 19.139 -6.180 2.721 1.00 12.27 C ATOM 784 CD2 LEU A 391 19.504 -5.560 5.116 1.00 12.39 C ATOM 785 H LEU A 391 16.525 -2.118 3.337 1.00 0.00 H ATOM 786 N VAL A 392 14.904 -4.992 4.027 1.00 11.10 N ATOM 787 CA VAL A 392 13.903 -5.965 4.445 1.00 11.52 C ATOM 788 C VAL A 392 12.879 -6.176 3.322 1.00 13.08 C ATOM 789 O VAL A 392 12.466 -7.305 3.050 1.00 15.40 O ATOM 790 CB VAL A 392 13.217 -5.527 5.760 1.00 14.44 C ATOM 791 CG1 VAL A 392 12.018 -6.402 6.060 1.00 20.35 C ATOM 792 CG2 VAL A 392 14.224 -5.577 6.921 1.00 15.27 C ATOM 793 H VAL A 392 14.977 -4.084 4.529 1.00 0.00 H ATOM 794 N TRP A 393 12.509 -5.091 2.645 1.00 12.24 N ATOM 795 CA TRP A 393 11.605 -5.172 1.498 1.00 14.76 C ATOM 796 C TRP A 393 12.207 -6.003 0.353 1.00 14.20 C ATOM 797 O TRP A 393 11.538 -6.882 -0.189 1.00 14.50 O ATOM 798 CB TRP A 393 11.237 -3.765 1.004 1.00 14.37 C ATOM 799 CG TRP A 393 10.529 -3.759 -0.324 1.00 14.98 C ATOM 800 CD1 TRP A 393 11.046 -3.364 -1.522 1.00 19.30 C ATOM 801 CD2 TRP A 393 9.182 -4.173 -0.587 1.00 13.42 C ATOM 802 NE1 TRP A 393 10.111 -3.511 -2.517 1.00 19.90 N ATOM 803 CE2 TRP A 393 8.956 -4.004 -1.970 1.00 16.07 C ATOM 804 CE3 TRP A 393 8.148 -4.673 0.209 1.00 16.98 C ATOM 805 CZ2 TRP A 393 7.737 -4.314 -2.573 1.00 21.34 C ATOM 806 CZ3 TRP A 393 6.934 -4.984 -0.394 1.00 17.99 C ATOM 807 CH2 TRP A 393 6.743 -4.803 -1.770 1.00 20.95 C ATOM 808 HE1 TRP A 393 10.256 -3.285 -3.522 1.00 0.00 H ATOM 809 H TRP A 393 12.872 -4.162 2.939 1.00 0.00 H ATOM 810 N ARG A 394 13.466 -5.737 0.001 1.00 12.76 N ATOM 811 CA ARG A 394 14.156 -6.487 -1.060 1.00 14.35 C ATOM 812 C ARG A 394 14.230 -7.971 -0.775 1.00 14.11 C ATOM 813 O ARG A 394 14.316 -8.789 -1.690 1.00 16.87 O ATOM 814 CB ARG A 394 15.594 -5.998 -1.253 1.00 17.17 C ATOM 815 CG ARG A 394 15.761 -4.575 -1.687 1.00 23.00 C ATOM 816 CD ARG A 394 17.134 -4.371 -2.307 1.00 17.71 C ATOM 817 NE ARG A 394 18.239 -4.309 -1.348 1.00 12.29 N ATOM 818 CZ ARG A 394 18.475 -3.277 -0.539 1.00 12.48 C ATOM 819 NH1 ARG A 394 17.662 -2.225 -0.542 1.00 13.20 N ATOM 820 NH2 ARG A 394 19.527 -3.288 0.271 1.00 13.74 N ATOM 821 HE ARG A 394 18.882 -5.125 -1.295 1.00 0.00 H ATOM 822 HH12 ARG A 394 17.849 -1.421 0.091 1.00 0.00 H ATOM 823 HH11 ARG A 394 16.839 -2.206 -1.177 1.00 0.00 H ATOM 824 HH22 ARG A 394 19.707 -2.480 0.901 1.00 0.00 H ATOM 825 HH21 ARG A 394 20.171 -4.105 0.276 1.00 0.00 H ATOM 826 H ARG A 394 13.976 -4.975 0.492 1.00 0.00 H ATOM 827 N SER A 395 14.232 -8.299 0.511 1.00 14.38 N ATOM 828 CA SER A 395 14.533 -9.646 0.976 1.00 16.42 C ATOM 829 C SER A 395 13.289 -10.485 1.177 1.00 18.23 C ATOM 830 O SER A 395 13.381 -11.674 1.479 1.00 18.16 O ATOM 831 CB SER A 395 15.310 -9.592 2.293 1.00 13.86 C ATOM 832 OG SER A 395 16.521 -8.870 2.154 1.00 14.48 O ATOM 833 HG SER A 395 16.320 -7.943 1.870 1.00 0.00 H ATOM 834 H SER A 395 14.010 -7.566 1.214 1.00 0.00 H ATOM 835 N MET A 396 12.130 -9.860 1.030 1.00 16.81 N ATOM 836 CA MET A 396 10.875 -10.535 1.309 1.00 21.37 C ATOM 837 C MET A 396 10.711 -11.859 0.587 1.00 23.00 C ATOM 838 O MET A 396 10.251 -12.833 1.176 1.00 25.41 O ATOM 839 CB MET A 396 9.713 -9.638 0.943 1.00 25.03 C ATOM 840 CG MET A 396 9.153 -8.872 2.092 1.00 25.74 C ATOM 841 SD MET A 396 7.776 -7.934 1.435 1.00 41.61 S ATOM 842 CE MET A 396 6.479 -9.153 1.455 1.00 32.18 C ATOM 843 H MET A 396 12.119 -8.871 0.710 1.00 0.00 H ATOM 844 N GLU A 397 11.073 -11.904 -0.688 1.00 20.74 N ATOM 845 CA GLU A 397 10.838 -13.120 -1.453 1.00 28.08 C ATOM 846 C GLU A 397 12.066 -14.041 -1.418 1.00 24.50 C ATOM 847 O GLU A 397 12.206 -14.933 -2.253 1.00 27.07 O ATOM 848 CB GLU A 397 10.437 -12.783 -2.897 1.00 35.53 C ATOM 849 CG GLU A 397 9.229 -11.830 -3.034 1.00 44.23 C ATOM 850 CD GLU A 397 7.946 -12.337 -2.370 1.00 53.76 C ATOM 851 OE1 GLU A 397 7.715 -13.564 -2.342 1.00 58.62 O ATOM 852 OE2 GLU A 397 7.161 -11.496 -1.877 1.00 56.16 O ATOM 853 H GLU A 397 11.520 -11.079 -1.137 1.00 0.00 H ATOM 854 N HIS A 398 12.937 -13.827 -0.430 1.00 21.66 N ATOM 855 CA HIS A 398 14.114 -14.672 -0.199 1.00 20.17 C ATOM 856 C HIS A 398 14.184 -15.138 1.252 1.00 20.06 C ATOM 857 O HIS A 398 15.018 -14.646 2.011 1.00 19.11 O ATOM 858 CB HIS A 398 15.413 -13.925 -0.519 1.00 21.11 C ATOM 859 CG HIS A 398 15.545 -13.501 -1.946 1.00 26.62 C ATOM 860 ND1 HIS A 398 16.129 -14.298 -2.907 1.00 32.81 N ATOM 861 CD2 HIS A 398 15.190 -12.354 -2.571 1.00 29.46 C ATOM 862 CE1 HIS A 398 16.118 -13.664 -4.066 1.00 34.85 C ATOM 863 NE2 HIS A 398 15.552 -12.484 -3.890 1.00 32.64 N ATOM 864 H HIS A 398 12.774 -13.022 0.208 1.00 0.00 H ATOM 865 N PRO A 399 13.314 -16.077 1.649 1.00 21.83 N ATOM 866 CA PRO A 399 13.308 -16.510 3.054 1.00 21.81 C ATOM 867 C PRO A 399 14.682 -16.969 3.549 1.00 21.90 C ATOM 868 O PRO A 399 15.384 -17.704 2.855 1.00 23.15 O ATOM 869 CB PRO A 399 12.309 -17.671 3.057 1.00 26.21 C ATOM 870 CG PRO A 399 11.401 -17.383 1.910 1.00 27.34 C ATOM 871 CD PRO A 399 12.258 -16.732 0.859 1.00 22.13 C ATOM 872 N GLY A 400 15.060 -16.502 4.735 1.00 21.30 N ATOM 873 CA GLY A 400 16.327 -16.864 5.345 1.00 19.76 C ATOM 874 C GLY A 400 17.529 -16.098 4.823 1.00 20.55 C ATOM 875 O GLY A 400 18.658 -16.354 5.238 1.00 20.48 O ATOM 876 H GLY A 400 14.425 -15.854 5.244 1.00 0.00 H ATOM 877 N LYS A 401 17.297 -15.153 3.918 1.00 17.09 N ATOM 878 CA LYS A 401 18.400 -14.406 3.326 1.00 18.05 C ATOM 879 C LYS A 401 18.149 -12.911 3.305 1.00 15.64 C ATOM 880 O LYS A 401 17.002 -12.462 3.254 1.00 14.68 O ATOM 881 CB LYS A 401 18.678 -14.906 1.906 1.00 21.08 C ATOM 882 CG LYS A 401 19.106 -16.368 1.885 1.00 27.53 C ATOM 883 CD LYS A 401 19.640 -16.832 0.540 1.00 37.70 C ATOM 884 CE LYS A 401 20.161 -18.280 0.623 1.00 45.66 C ATOM 885 NZ LYS A 401 21.483 -18.481 1.314 1.00 47.13 N ATOM 886 HZ1 LYS A 401 22.219 -17.942 0.815 1.00 0.00 H ATOM 887 HZ2 LYS A 401 21.414 -18.147 2.297 1.00 0.00 H ATOM 888 HZ3 LYS A 401 21.726 -19.492 1.307 1.00 0.00 H ATOM 889 H LYS A 401 16.320 -14.944 3.629 1.00 0.00 H ATOM 890 N LEU A 402 19.236 -12.147 3.353 1.00 13.79 N ATOM 891 CA LEU A 402 19.169 -10.700 3.196 1.00 13.14 C ATOM 892 C LEU A 402 19.773 -10.306 1.854 1.00 13.20 C ATOM 893 O LEU A 402 20.971 -10.497 1.612 1.00 14.10 O ATOM 894 CB LEU A 402 19.890 -9.990 4.342 1.00 14.28 C ATOM 895 CG LEU A 402 19.281 -10.241 5.723 1.00 14.04 C ATOM 896 CD1 LEU A 402 20.127 -9.605 6.815 1.00 13.14 C ATOM 897 CD2 LEU A 402 17.858 -9.707 5.771 1.00 13.09 C ATOM 898 H LEU A 402 20.162 -12.595 3.507 1.00 0.00 H ATOM 899 N LEU A 403 18.929 -9.765 0.982 1.00 13.87 N ATOM 900 CA LEU A 403 19.363 -9.360 -0.344 1.00 13.81 C ATOM 901 C LEU A 403 19.911 -7.944 -0.269 1.00 11.88 C ATOM 902 O LEU A 403 19.217 -6.974 -0.579 1.00 13.81 O ATOM 903 CB LEU A 403 18.213 -9.455 -1.353 1.00 12.64 C ATOM 904 CG LEU A 403 18.604 -9.403 -2.833 1.00 15.28 C ATOM 905 CD1 LEU A 403 17.598 -10.176 -3.667 1.00 23.25 C ATOM 906 CD2 LEU A 403 18.714 -7.976 -3.343 1.00 19.76 C ATOM 907 H LEU A 403 17.935 -9.628 1.255 1.00 0.00 H ATOM 908 N PHE A 404 21.156 -7.822 0.175 1.00 12.19 N ATOM 909 CA PHE A 404 21.786 -6.514 0.260 1.00 13.64 C ATOM 910 C PHE A 404 21.884 -5.921 -1.130 1.00 13.94 C ATOM 911 O PHE A 404 21.658 -4.725 -1.333 1.00 12.26 O ATOM 912 CB PHE A 404 23.165 -6.615 0.910 1.00 12.67 C ATOM 913 CG PHE A 404 23.112 -6.732 2.402 1.00 11.94 C ATOM 914 CD1 PHE A 404 23.028 -5.596 3.190 1.00 10.97 C ATOM 915 CD2 PHE A 404 23.117 -7.974 3.018 1.00 10.01 C ATOM 916 CE1 PHE A 404 22.959 -5.686 4.559 1.00 10.35 C ATOM 917 CE2 PHE A 404 23.045 -8.076 4.399 1.00 12.14 C ATOM 918 CZ PHE A 404 22.971 -6.927 5.173 1.00 11.01 C ATOM 919 H PHE A 404 21.685 -8.669 0.465 1.00 0.00 H ATOM 920 N ALA A 405 22.216 -6.786 -2.080 1.00 13.30 N ATOM 921 CA ALA A 405 22.298 -6.435 -3.484 1.00 14.65 C ATOM 922 C ALA A 405 22.036 -7.704 -4.273 1.00 16.62 C ATOM 923 O ALA A 405 22.106 -8.801 -3.717 1.00 16.81 O ATOM 924 CB ALA A 405 23.667 -5.841 -3.822 1.00 16.46 C ATOM 925 H ALA A 405 22.428 -7.766 -1.803 1.00 0.00 H ATOM 926 N PRO A 406 21.720 -7.572 -5.567 1.00 16.98 N ATOM 927 CA PRO A 406 21.455 -8.788 -6.341 1.00 18.57 C ATOM 928 C PRO A 406 22.653 -9.740 -6.360 1.00 20.51 C ATOM 929 O PRO A 406 22.469 -10.953 -6.480 1.00 25.35 O ATOM 930 CB PRO A 406 21.149 -8.249 -7.739 1.00 20.47 C ATOM 931 CG PRO A 406 20.627 -6.860 -7.487 1.00 19.89 C ATOM 932 CD PRO A 406 21.460 -6.351 -6.346 1.00 17.92 C ATOM 933 N ASN A 407 23.860 -9.194 -6.230 1.00 20.89 N ATOM 934 CA ASN A 407 25.064 -10.014 -6.162 1.00 22.35 C ATOM 935 C ASN A 407 25.584 -10.180 -4.732 1.00 21.27 C ATOM 936 O ASN A 407 26.716 -10.617 -4.526 1.00 21.48 O ATOM 937 CB ASN A 407 26.167 -9.424 -7.051 1.00 22.86 C ATOM 938 CG ASN A 407 26.712 -8.111 -6.516 1.00 24.12 C ATOM 939 OD1 ASN A 407 26.018 -7.384 -5.805 1.00 20.34 O ATOM 940 ND2 ASN A 407 27.964 -7.806 -6.848 1.00 22.63 N ATOM 941 HD22 ASN A 407 28.514 -8.450 -7.451 1.00 0.00 H ATOM 942 HD21 ASN A 407 28.393 -6.923 -6.504 1.00 0.00 H ATOM 943 H ASN A 407 23.946 -8.159 -6.176 1.00 0.00 H ATOM 944 N LEU A 408 24.760 -9.836 -3.745 1.00 15.72 N ATOM 945 CA LEU A 408 25.153 -9.984 -2.345 1.00 15.37 C ATOM 946 C LEU A 408 23.960 -10.404 -1.495 1.00 17.11 C ATOM 947 O LEU A 408 23.301 -9.584 -0.846 1.00 15.79 O ATOM 948 CB LEU A 408 25.767 -8.690 -1.801 1.00 15.47 C ATOM 949 CG LEU A 408 26.432 -8.817 -0.425 1.00 18.03 C ATOM 950 CD1 LEU A 408 27.533 -9.883 -0.439 1.00 18.30 C ATOM 951 CD2 LEU A 408 26.986 -7.478 0.040 1.00 16.94 C ATOM 952 H LEU A 408 23.820 -9.455 -3.974 1.00 0.00 H ATOM 953 N LEU A 409 23.707 -11.704 -1.512 1.00 17.21 N ATOM 954 CA LEU A 409 22.576 -12.304 -0.831 1.00 17.51 C ATOM 955 C LEU A 409 23.133 -13.151 0.308 1.00 18.76 C ATOM 956 O LEU A 409 23.745 -14.193 0.070 1.00 20.47 O ATOM 957 CB LEU A 409 21.760 -13.123 -1.834 1.00 21.42 C ATOM 958 CG LEU A 409 20.485 -13.874 -1.471 1.00 25.32 C ATOM 959 CD1 LEU A 409 19.517 -12.971 -0.745 1.00 25.91 C ATOM 960 CD2 LEU A 409 19.849 -14.427 -2.748 1.00 28.68 C ATOM 961 H LEU A 409 24.352 -12.326 -2.040 1.00 0.00 H ATOM 962 N LEU A 410 22.957 -12.683 1.541 1.00 16.03 N ATOM 963 CA LEU A 410 23.654 -13.268 2.688 1.00 16.62 C ATOM 964 C LEU A 410 22.693 -13.948 3.657 1.00 20.42 C ATOM 965 O LEU A 410 21.576 -13.470 3.852 1.00 19.52 O ATOM 966 CB LEU A 410 24.452 -12.189 3.430 1.00 17.05 C ATOM 967 CG LEU A 410 25.599 -11.475 2.707 1.00 14.80 C ATOM 968 CD1 LEU A 410 26.162 -10.367 3.587 1.00 14.61 C ATOM 969 CD2 LEU A 410 26.698 -12.455 2.333 1.00 18.26 C ATOM 970 H LEU A 410 22.310 -11.883 1.693 1.00 0.00 H ATOM 971 N ASP A 411 23.117 -15.057 4.266 1.00 19.42 N ATOM 972 CA ASP A 411 22.321 -15.671 5.331 1.00 18.74 C ATOM 973 C ASP A 411 22.976 -15.437 6.695 1.00 22.06 C ATOM 974 O ASP A 411 24.057 -14.847 6.777 1.00 19.87 O ATOM 975 CB ASP A 411 22.092 -17.170 5.072 1.00 21.22 C ATOM 976 CG ASP A 411 23.380 -17.957 4.891 1.00 24.50 C ATOM 977 OD1 ASP A 411 24.335 -17.758 5.666 1.00 23.37 O ATOM 978 OD2 ASP A 411 23.422 -18.806 3.973 1.00 28.92 O ATOM 979 H ASP A 411 24.020 -15.489 3.982 1.00 0.00 H ATOM 980 N ARG A 412 22.318 -15.872 7.767 1.00 19.96 N ATOM 981 CA ARG A 412 22.782 -15.528 9.109 1.00 21.08 C ATOM 982 C ARG A 412 24.161 -16.116 9.398 1.00 21.43 C ATOM 983 O ARG A 412 24.930 -15.552 10.175 1.00 21.64 O ATOM 984 CB ARG A 412 21.778 -15.983 10.175 1.00 20.95 C ATOM 985 CG ARG A 412 21.765 -17.470 10.457 1.00 21.50 C ATOM 986 CD ARG A 412 20.759 -17.811 11.560 1.00 22.14 C ATOM 987 NE ARG A 412 21.019 -17.084 12.803 1.00 22.40 N ATOM 988 CZ ARG A 412 21.765 -17.547 13.801 1.00 25.96 C ATOM 989 NH1 ARG A 412 22.337 -18.739 13.703 1.00 27.34 N ATOM 990 NH2 ARG A 412 21.941 -16.820 14.897 1.00 25.28 N ATOM 991 HE ARG A 412 20.592 -16.142 12.913 1.00 0.00 H ATOM 992 HH12 ARG A 412 22.921 -19.101 14.484 1.00 0.00 H ATOM 993 HH11 ARG A 412 22.202 -19.312 12.845 1.00 0.00 H ATOM 994 HH22 ARG A 412 22.525 -17.186 15.675 1.00 0.00 H ATOM 995 HH21 ARG A 412 21.494 -15.884 14.978 1.00 0.00 H ATOM 996 H ARG A 412 21.469 -16.460 7.649 1.00 0.00 H ATOM 997 N ASN A 413 24.482 -17.241 8.772 1.00 19.73 N ATOM 998 CA ASN A 413 25.789 -17.847 8.981 1.00 18.59 C ATOM 999 C ASN A 413 26.907 -17.004 8.378 1.00 18.31 C ATOM 1000 O ASN A 413 28.029 -16.997 8.881 1.00 23.24 O ATOM 1001 CB ASN A 413 25.813 -19.265 8.417 1.00 21.86 C ATOM 1002 CG ASN A 413 25.022 -20.232 9.268 1.00 30.97 C ATOM 1003 OD1 ASN A 413 24.917 -20.058 10.483 1.00 28.97 O ATOM 1004 ND2 ASN A 413 24.453 -21.252 8.638 1.00 38.19 N ATOM 1005 HD22 ASN A 413 24.569 -21.358 7.610 1.00 0.00 H ATOM 1006 HD21 ASN A 413 23.891 -21.945 9.172 1.00 0.00 H ATOM 1007 H ASN A 413 23.798 -17.691 8.130 1.00 0.00 H ATOM 1008 N GLN A 414 26.599 -16.275 7.312 1.00 19.16 N ATOM 1009 CA GLN A 414 27.582 -15.371 6.734 1.00 19.50 C ATOM 1010 C GLN A 414 27.692 -14.098 7.573 1.00 18.53 C ATOM 1011 O GLN A 414 28.745 -13.471 7.616 1.00 20.49 O ATOM 1012 CB GLN A 414 27.227 -15.048 5.283 1.00 17.30 C ATOM 1013 CG GLN A 414 27.411 -16.233 4.342 1.00 19.77 C ATOM 1014 CD GLN A 414 26.716 -16.037 3.011 1.00 18.64 C ATOM 1015 OE1 GLN A 414 25.512 -15.792 2.960 1.00 20.30 O ATOM 1016 NE2 GLN A 414 27.472 -16.145 1.924 1.00 19.69 N ATOM 1017 HE22 GLN A 414 28.487 -16.353 2.015 1.00 0.00 H ATOM 1018 HE21 GLN A 414 27.049 -16.021 0.982 1.00 0.00 H ATOM 1019 H GLN A 414 25.652 -16.350 6.889 1.00 0.00 H ATOM 1020 N GLY A 415 26.611 -13.727 8.251 1.00 16.64 N ATOM 1021 CA GLY A 415 26.641 -12.579 9.139 1.00 17.03 C ATOM 1022 C GLY A 415 27.580 -12.786 10.314 1.00 19.90 C ATOM 1023 O GLY A 415 28.085 -11.821 10.895 1.00 19.32 O ATOM 1024 H GLY A 415 25.729 -14.268 8.144 1.00 0.00 H ATOM 1025 N LYS A 416 27.821 -14.052 10.659 1.00 16.77 N ATOM 1026 CA LYS A 416 28.675 -14.402 11.796 1.00 19.79 C ATOM 1027 C LYS A 416 30.132 -13.983 11.525 1.00 20.11 C ATOM 1028 O LYS A 416 30.966 -13.931 12.438 1.00 20.62 O ATOM 1029 CB LYS A 416 28.616 -15.899 12.091 1.00 24.00 C ATOM 1030 CG LYS A 416 27.295 -16.378 12.656 1.00 21.98 C ATOM 1031 CD LYS A 416 27.299 -17.895 12.746 1.00 24.03 C ATOM 1032 CE LYS A 416 26.064 -18.424 13.458 1.00 25.64 C ATOM 1033 NZ LYS A 416 25.947 -19.906 13.326 1.00 29.21 N ATOM 1034 HZ1 LYS A 416 25.880 -20.159 12.319 1.00 0.00 H ATOM 1035 HZ2 LYS A 416 26.786 -20.357 13.743 1.00 0.00 H ATOM 1036 HZ3 LYS A 416 25.094 -20.231 13.824 1.00 0.00 H ATOM 1037 H LYS A 416 27.388 -14.816 10.102 1.00 0.00 H TER 1038 LYS A 416 ATOM 1039 N VAL A 418 31.111 -11.071 10.966 1.00 17.53 N ATOM 1040 CA VAL A 418 31.421 -9.798 11.543 1.00 17.46 C ATOM 1041 C VAL A 418 30.988 -9.910 12.969 1.00 16.46 C ATOM 1042 O VAL A 418 29.883 -10.356 13.240 1.00 17.81 O ATOM 1043 CB VAL A 418 30.732 -8.658 10.813 1.00 15.82 C ATOM 1044 CG1 VAL A 418 30.987 -7.369 11.544 1.00 15.23 C ATOM 1045 CG2 VAL A 418 31.251 -8.574 9.377 1.00 15.45 C ATOM 1046 HN3 VAL A 418 30.089 -11.247 11.047 1.00 0.00 H ATOM 1047 HN2 VAL A 418 31.633 -11.815 11.471 1.00 0.00 H ATOM 1048 HN1 VAL A 418 31.386 -11.072 9.963 1.00 0.00 H ATOM 1049 N GLU A 419 31.879 -9.567 13.885 1.00 16.93 N ATOM 1050 CA GLU A 419 31.540 -9.619 15.291 1.00 21.77 C ATOM 1051 C GLU A 419 30.328 -8.734 15.594 1.00 19.10 C ATOM 1052 O GLU A 419 30.300 -7.563 15.229 1.00 17.77 O ATOM 1053 CB GLU A 419 32.754 -9.203 16.109 1.00 31.33 C ATOM 1054 CG GLU A 419 32.530 -8.990 17.576 1.00 45.16 C ATOM 1055 CD GLU A 419 33.841 -8.701 18.268 1.00 60.14 C ATOM 1056 OE1 GLU A 419 34.892 -8.909 17.623 1.00 64.90 O ATOM 1057 OE2 GLU A 419 33.833 -8.265 19.437 1.00 66.39 O ATOM 1058 H GLU A 419 32.828 -9.258 13.593 1.00 0.00 H ATOM 1059 N GLY A 420 29.313 -9.314 16.227 1.00 16.91 N ATOM 1060 CA GLY A 420 28.128 -8.571 16.632 1.00 20.34 C ATOM 1061 C GLY A 420 27.068 -8.400 15.559 1.00 18.30 C ATOM 1062 O GLY A 420 26.030 -7.770 15.773 1.00 20.43 O ATOM 1063 H GLY A 420 29.367 -10.331 16.440 1.00 0.00 H ATOM 1064 N MET A 421 27.319 -8.974 14.393 1.00 16.04 N ATOM 1065 CA MET A 421 26.447 -8.734 13.261 1.00 13.73 C ATOM 1066 C MET A 421 25.304 -9.732 13.175 1.00 15.34 C ATOM 1067 O MET A 421 24.211 -9.374 12.740 1.00 17.53 O ATOM 1068 CB MET A 421 27.248 -8.769 11.971 1.00 18.40 C ATOM 1069 CG MET A 421 26.368 -8.816 10.756 1.00 18.83 C ATOM 1070 SD MET A 421 25.888 -7.138 10.416 1.00 24.70 S ATOM 1071 CE MET A 421 27.404 -6.756 9.580 1.00 9.77 C ATOM 1072 H MET A 421 28.144 -9.599 14.289 1.00 0.00 H ATOM 1073 N VAL A 422 25.541 -10.977 13.575 1.00 16.00 N ATOM 1074 CA VAL A 422 24.500 -11.984 13.387 1.00 18.00 C ATOM 1075 C VAL A 422 23.222 -11.612 14.148 1.00 17.59 C ATOM 1076 O VAL A 422 22.121 -11.901 13.686 1.00 14.70 O ATOM 1077 CB VAL A 422 24.965 -13.387 13.808 1.00 18.01 C ATOM 1078 CG1 VAL A 422 25.059 -13.493 15.318 1.00 17.78 C ATOM 1079 CG2 VAL A 422 24.010 -14.438 13.252 1.00 21.54 C ATOM 1080 H VAL A 422 26.450 -11.229 14.013 1.00 0.00 H ATOM 1081 N GLU A 423 23.368 -10.950 15.291 1.00 17.98 N ATOM 1082 CA GLU A 423 22.213 -10.513 16.070 1.00 18.94 C ATOM 1083 C GLU A 423 21.354 -9.523 15.271 1.00 14.83 C ATOM 1084 O GLU A 423 20.119 -9.574 15.308 1.00 15.05 O ATOM 1085 CB GLU A 423 22.672 -9.895 17.400 1.00 24.92 C ATOM 1086 CG GLU A 423 23.240 -10.906 18.417 1.00 33.38 C ATOM 1087 CD GLU A 423 24.742 -11.174 18.272 1.00 39.47 C ATOM 1088 OE1 GLU A 423 25.371 -10.666 17.320 1.00 32.87 O ATOM 1089 OE2 GLU A 423 25.298 -11.901 19.124 1.00 47.75 O ATOM 1090 H GLU A 423 24.325 -10.739 15.638 1.00 0.00 H ATOM 1091 N ILE A 424 22.014 -8.640 14.530 1.00 14.70 N ATOM 1092 CA ILE A 424 21.319 -7.668 13.698 1.00 15.73 C ATOM 1093 C ILE A 424 20.719 -8.351 12.459 1.00 13.74 C ATOM 1094 O ILE A 424 19.567 -8.080 12.104 1.00 13.26 O ATOM 1095 CB ILE A 424 22.264 -6.514 13.317 1.00 15.58 C ATOM 1096 CG1 ILE A 424 22.653 -5.751 14.589 1.00 17.34 C ATOM 1097 CG2 ILE A 424 21.602 -5.568 12.325 1.00 14.74 C ATOM 1098 CD1 ILE A 424 23.902 -4.895 14.470 1.00 17.08 C ATOM 1099 H ILE A 424 23.054 -8.643 14.544 1.00 0.00 H ATOM 1100 N PHE A 425 21.473 -9.260 11.833 1.00 13.49 N ATOM 1101 CA PHE A 425 20.928 -10.062 10.731 1.00 12.61 C ATOM 1102 C PHE A 425 19.646 -10.770 11.166 1.00 12.90 C ATOM 1103 O PHE A 425 18.656 -10.774 10.436 1.00 14.06 O ATOM 1104 CB PHE A 425 21.937 -11.106 10.225 1.00 14.33 C ATOM 1105 CG PHE A 425 22.844 -10.616 9.116 1.00 14.90 C ATOM 1106 CD1 PHE A 425 23.239 -9.291 9.048 1.00 17.17 C ATOM 1107 CD2 PHE A 425 23.299 -11.493 8.142 1.00 17.28 C ATOM 1108 CE1 PHE A 425 24.077 -8.849 8.028 1.00 18.13 C ATOM 1109 CE2 PHE A 425 24.134 -11.061 7.123 1.00 20.35 C ATOM 1110 CZ PHE A 425 24.523 -9.737 7.068 1.00 18.10 C ATOM 1111 H PHE A 425 22.459 -9.401 12.131 1.00 0.00 H ATOM 1112 N ASP A 426 19.662 -11.372 12.354 1.00 12.94 N ATOM 1113 CA ASP A 426 18.493 -12.109 12.831 1.00 13.71 C ATOM 1114 C ASP A 426 17.277 -11.204 12.969 1.00 14.93 C ATOM 1115 O ASP A 426 16.159 -11.611 12.657 1.00 15.63 O ATOM 1116 CB ASP A 426 18.776 -12.787 14.168 1.00 15.21 C ATOM 1117 CG ASP A 426 19.624 -14.029 14.022 1.00 21.34 C ATOM 1118 OD1 ASP A 426 19.681 -14.597 12.908 1.00 20.74 O ATOM 1119 OD2 ASP A 426 20.226 -14.441 15.034 1.00 22.02 O ATOM 1120 H ASP A 426 20.514 -11.317 12.948 1.00 0.00 H ATOM 1121 N MET A 427 17.486 -9.977 13.435 1.00 11.47 N ATOM 1122 CA MET A 427 16.373 -9.042 13.556 1.00 11.80 C ATOM 1123 C MET A 427 15.842 -8.653 12.183 1.00 13.30 C ATOM 1124 O MET A 427 14.631 -8.593 11.975 1.00 13.99 O ATOM 1125 CB MET A 427 16.792 -7.804 14.342 1.00 12.94 C ATOM 1126 CG MET A 427 17.056 -8.111 15.802 1.00 17.47 C ATOM 1127 SD MET A 427 17.256 -6.623 16.786 1.00 25.64 S ATOM 1128 CE MET A 427 18.743 -5.949 16.091 1.00 20.68 C ATOM 1129 H MET A 427 18.444 -9.683 13.714 1.00 0.00 H ATOM 1130 N LEU A 428 16.748 -8.402 11.243 1.00 12.24 N ATOM 1131 CA LEU A 428 16.353 -8.017 9.894 1.00 11.93 C ATOM 1132 C LEU A 428 15.595 -9.147 9.202 1.00 13.63 C ATOM 1133 O LEU A 428 14.581 -8.908 8.548 1.00 13.04 O ATOM 1134 CB LEU A 428 17.579 -7.607 9.077 1.00 13.14 C ATOM 1135 CG LEU A 428 18.188 -6.272 9.512 1.00 12.24 C ATOM 1136 CD1 LEU A 428 19.636 -6.164 9.041 1.00 11.13 C ATOM 1137 CD2 LEU A 428 17.371 -5.089 9.007 1.00 10.00 C ATOM 1138 H LEU A 428 17.759 -8.482 11.475 1.00 0.00 H ATOM 1139 N LEU A 429 16.076 -10.377 9.359 1.00 12.09 N ATOM 1140 CA LEU A 429 15.398 -11.530 8.771 1.00 13.98 C ATOM 1141 C LEU A 429 14.001 -11.712 9.354 1.00 17.49 C ATOM 1142 O LEU A 429 13.057 -12.040 8.631 1.00 20.15 O ATOM 1143 CB LEU A 429 16.219 -12.800 8.981 1.00 13.33 C ATOM 1144 CG LEU A 429 17.515 -12.880 8.181 1.00 16.59 C ATOM 1145 CD1 LEU A 429 18.470 -13.856 8.843 1.00 17.10 C ATOM 1146 CD2 LEU A 429 17.236 -13.297 6.747 1.00 18.82 C ATOM 1147 H LEU A 429 16.947 -10.520 9.908 1.00 0.00 H ATOM 1148 N ALA A 430 13.868 -11.500 10.661 1.00 18.04 N ATOM 1149 CA ALA A 430 12.568 -11.629 11.314 1.00 18.16 C ATOM 1150 C ALA A 430 11.588 -10.591 10.785 1.00 17.87 C ATOM 1151 O ALA A 430 10.395 -10.866 10.646 1.00 18.60 O ATOM 1152 CB ALA A 430 12.707 -11.503 12.823 1.00 15.97 C ATOM 1153 H ALA A 430 14.702 -11.239 11.225 1.00 0.00 H ATOM 1154 N THR A 431 12.096 -9.399 10.488 1.00 15.79 N ATOM 1155 CA THR A 431 11.245 -8.330 9.986 1.00 15.20 C ATOM 1156 C THR A 431 10.811 -8.652 8.565 1.00 15.24 C ATOM 1157 O THR A 431 9.668 -8.402 8.184 1.00 14.64 O ATOM 1158 CB THR A 431 11.959 -6.975 10.028 1.00 16.20 C ATOM 1159 OG1 THR A 431 12.482 -6.761 11.344 1.00 18.54 O ATOM 1160 CG2 THR A 431 10.992 -5.851 9.685 1.00 16.09 C ATOM 1161 HG1 THR A 431 13.123 -7.483 11.565 1.00 0.00 H ATOM 1162 H THR A 431 13.114 -9.228 10.616 1.00 0.00 H ATOM 1163 N SER A 432 11.727 -9.217 7.788 1.00 14.37 N ATOM 1164 CA SER A 432 11.400 -9.632 6.435 1.00 16.55 C ATOM 1165 C SER A 432 10.306 -10.689 6.476 1.00 19.52 C ATOM 1166 O SER A 432 9.359 -10.641 5.692 1.00 20.61 O ATOM 1167 CB SER A 432 12.636 -10.164 5.711 1.00 20.03 C ATOM 1168 OG SER A 432 12.488 -10.009 4.310 1.00 24.31 O ATOM 1169 HG SER A 432 12.374 -9.049 4.096 1.00 0.00 H ATOM 1170 H SER A 432 12.690 -9.364 8.152 1.00 0.00 H ATOM 1171 N SER A 433 10.430 -11.634 7.402 1.00 18.34 N ATOM 1172 CA SER A 433 9.396 -12.646 7.581 1.00 21.16 C ATOM 1173 C SER A 433 8.069 -12.014 7.920 1.00 22.24 C ATOM 1174 O SER A 433 7.026 -12.429 7.415 1.00 21.26 O ATOM 1175 CB SER A 433 9.769 -13.623 8.683 1.00 26.23 C ATOM 1176 OG SER A 433 10.892 -14.382 8.297 1.00 33.05 O ATOM 1177 HG SER A 433 11.656 -13.776 8.127 1.00 0.00 H ATOM 1178 H SER A 433 11.276 -11.652 8.007 1.00 0.00 H ATOM 1179 N ARG A 434 8.106 -11.017 8.794 1.00 18.78 N ATOM 1180 CA ARG A 434 6.885 -10.340 9.183 1.00 18.10 C ATOM 1181 C ARG A 434 6.226 -9.673 7.983 1.00 17.44 C ATOM 1182 O ARG A 434 5.007 -9.752 7.818 1.00 17.19 O ATOM 1183 CB ARG A 434 7.153 -9.309 10.264 1.00 19.10 C ATOM 1184 CG ARG A 434 5.919 -8.501 10.596 1.00 27.94 C ATOM 1185 CD ARG A 434 4.698 -9.352 10.997 1.00 39.81 C ATOM 1186 NE ARG A 434 3.652 -8.456 11.503 1.00 37.78 N ATOM 1187 CZ ARG A 434 2.424 -8.818 11.866 1.00 36.11 C ATOM 1188 NH1 ARG A 434 2.048 -10.087 11.790 1.00 34.06 N ATOM 1189 NH2 ARG A 434 1.570 -7.901 12.308 1.00 35.43 N ATOM 1190 HE ARG A 434 3.892 -7.447 11.585 1.00 0.00 H ATOM 1191 HH12 ARG A 434 1.087 -10.362 12.075 1.00 0.00 H ATOM 1192 HH11 ARG A 434 2.714 -10.807 11.445 1.00 0.00 H ATOM 1193 HH22 ARG A 434 0.609 -8.179 12.593 1.00 0.00 H ATOM 1194 HH21 ARG A 434 1.862 -6.905 12.369 1.00 0.00 H ATOM 1195 H ARG A 434 9.015 -10.720 9.202 1.00 0.00 H ATOM 1196 N PHE A 435 7.030 -9.000 7.162 1.00 17.56 N ATOM 1197 CA PHE A 435 6.532 -8.401 5.927 1.00 14.68 C ATOM 1198 C PHE A 435 5.880 -9.449 5.048 1.00 19.77 C ATOM 1199 O PHE A 435 4.837 -9.215 4.449 1.00 17.16 O ATOM 1200 CB PHE A 435 7.646 -7.765 5.104 1.00 18.31 C ATOM 1201 CG PHE A 435 8.079 -6.412 5.554 1.00 26.42 C ATOM 1202 CD1 PHE A 435 7.930 -5.989 6.853 1.00 25.99 C ATOM 1203 CD2 PHE A 435 8.688 -5.570 4.649 1.00 27.19 C ATOM 1204 CE1 PHE A 435 8.378 -4.739 7.226 1.00 25.44 C ATOM 1205 CE2 PHE A 435 9.119 -4.329 5.020 1.00 24.76 C ATOM 1206 CZ PHE A 435 8.959 -3.911 6.304 1.00 23.05 C ATOM 1207 H PHE A 435 8.036 -8.899 7.406 1.00 0.00 H ATOM 1208 N ARG A 436 6.542 -10.595 4.940 1.00 18.46 N ATOM 1209 CA ARG A 436 6.060 -11.661 4.079 1.00 22.93 C ATOM 1210 C ARG A 436 4.711 -12.166 4.547 1.00 21.67 C ATOM 1211 O ARG A 436 3.775 -12.318 3.757 1.00 26.36 O ATOM 1212 CB ARG A 436 7.063 -12.809 4.042 1.00 26.63 C ATOM 1213 CG ARG A 436 6.989 -13.622 2.778 1.00 33.15 C ATOM 1214 CD ARG A 436 8.233 -14.471 2.597 1.00 37.08 C ATOM 1215 NE ARG A 436 8.737 -15.025 3.852 1.00 38.34 N ATOM 1216 CZ ARG A 436 9.922 -14.735 4.390 1.00 37.17 C ATOM 1217 NH1 ARG A 436 10.756 -13.886 3.797 1.00 30.19 N ATOM 1218 NH2 ARG A 436 10.276 -15.306 5.532 1.00 40.69 N ATOM 1219 HE ARG A 436 8.127 -15.694 4.363 1.00 0.00 H ATOM 1220 HH12 ARG A 436 11.676 -13.672 4.232 1.00 0.00 H ATOM 1221 HH11 ARG A 436 10.488 -13.436 2.899 1.00 0.00 H ATOM 1222 HH22 ARG A 436 11.198 -15.086 5.959 1.00 0.00 H ATOM 1223 HH21 ARG A 436 9.632 -15.974 6.001 1.00 0.00 H ATOM 1224 H ARG A 436 7.420 -10.732 5.481 1.00 0.00 H ATOM 1225 N MET A 437 4.620 -12.422 5.844 1.00 20.01 N ATOM 1226 CA MET A 437 3.401 -12.954 6.426 1.00 24.20 C ATOM 1227 C MET A 437 2.235 -11.973 6.261 1.00 27.05 C ATOM 1228 O MET A 437 1.104 -12.385 6.003 1.00 29.46 O ATOM 1229 CB MET A 437 3.635 -13.292 7.899 1.00 29.75 C ATOM 1230 CG MET A 437 4.718 -14.359 8.123 1.00 35.11 C ATOM 1231 SD MET A 437 4.287 -16.013 7.521 1.00134.69 S ATOM 1232 CE MET A 437 5.277 -16.150 6.031 1.00 56.23 C ATOM 1233 H MET A 437 5.439 -12.238 6.458 1.00 0.00 H ATOM 1234 N MET A 438 2.523 -10.679 6.390 1.00 21.86 N ATOM 1235 CA MET A 438 1.527 -9.622 6.188 1.00 21.02 C ATOM 1236 C MET A 438 1.191 -9.377 4.724 1.00 17.58 C ATOM 1237 O MET A 438 0.249 -8.646 4.414 1.00 19.53 O ATOM 1238 CB MET A 438 2.013 -8.301 6.781 1.00 21.19 C ATOM 1239 CG MET A 438 2.061 -8.246 8.283 1.00 22.27 C ATOM 1240 SD MET A 438 2.400 -6.560 8.798 1.00 24.26 S ATOM 1241 CE MET A 438 0.858 -5.753 8.373 1.00 26.34 C ATOM 1242 H MET A 438 3.494 -10.407 6.644 1.00 0.00 H ATOM 1243 N ASN A 439 1.988 -9.954 3.831 1.00 17.60 N ATOM 1244 CA ASN A 439 1.860 -9.684 2.404 1.00 17.57 C ATOM 1245 C ASN A 439 1.942 -8.183 2.123 1.00 17.89 C ATOM 1246 O ASN A 439 1.094 -7.616 1.430 1.00 19.15 O ATOM 1247 CB ASN A 439 0.552 -10.257 1.859 1.00 21.50 C ATOM 1248 CG ASN A 439 0.576 -10.416 0.353 1.00 33.74 C ATOM 1249 OD1 ASN A 439 1.640 -10.380 -0.268 1.00 38.66 O ATOM 1250 ND2 ASN A 439 -0.596 -10.596 -0.245 1.00 41.58 N ATOM 1251 HD22 ASN A 439 -1.469 -10.620 0.319 1.00 0.00 H ATOM 1252 HD21 ASN A 439 -0.640 -10.713 -1.277 1.00 0.00 H ATOM 1253 H ASN A 439 2.721 -10.615 4.158 1.00 0.00 H ATOM 1254 N LEU A 440 2.974 -7.549 2.670 1.00 16.20 N ATOM 1255 CA LEU A 440 3.190 -6.119 2.481 1.00 14.47 C ATOM 1256 C LEU A 440 3.257 -5.790 0.997 1.00 17.35 C ATOM 1257 O LEU A 440 3.954 -6.463 0.235 1.00 17.57 O ATOM 1258 CB LEU A 440 4.478 -5.662 3.173 1.00 16.40 C ATOM 1259 CG LEU A 440 4.755 -4.159 3.028 1.00 16.79 C ATOM 1260 CD1 LEU A 440 3.778 -3.354 3.871 1.00 16.85 C ATOM 1261 CD2 LEU A 440 6.187 -3.806 3.374 1.00 17.82 C ATOM 1262 H LEU A 440 3.648 -8.089 3.250 1.00 0.00 H ATOM 1263 N GLN A 441 2.523 -4.759 0.591 1.00 14.36 N ATOM 1264 CA GLN A 441 2.485 -4.338 -0.805 1.00 16.09 C ATOM 1265 C GLN A 441 3.487 -3.226 -1.071 1.00 15.84 C ATOM 1266 O GLN A 441 3.826 -2.469 -0.166 1.00 14.81 O ATOM 1267 CB GLN A 441 1.081 -3.868 -1.186 1.00 21.04 C ATOM 1268 CG GLN A 441 0.020 -4.938 -1.030 1.00 23.62 C ATOM 1269 CD GLN A 441 0.242 -6.099 -1.973 1.00 25.93 C ATOM 1270 OE1 GLN A 441 0.096 -5.963 -3.187 1.00 29.46 O ATOM 1271 NE2 GLN A 441 0.612 -7.248 -1.420 1.00 26.15 N ATOM 1272 HE22 GLN A 441 0.723 -7.317 -0.388 1.00 0.00 H ATOM 1273 HE21 GLN A 441 0.791 -8.079 -2.019 1.00 0.00 H ATOM 1274 H GLN A 441 1.958 -4.236 1.290 1.00 0.00 H ATOM 1275 N GLY A 442 3.940 -3.123 -2.319 1.00 18.23 N ATOM 1276 CA GLY A 442 4.887 -2.096 -2.714 1.00 18.29 C ATOM 1277 C GLY A 442 4.389 -0.700 -2.393 1.00 17.40 C ATOM 1278 O GLY A 442 5.148 0.157 -1.938 1.00 16.69 O ATOM 1279 H GLY A 442 3.605 -3.800 -3.034 1.00 0.00 H ATOM 1280 N GLU A 443 3.100 -0.476 -2.627 1.00 17.45 N ATOM 1281 CA GLU A 443 2.493 0.818 -2.364 1.00 18.65 C ATOM 1282 C GLU A 443 2.487 1.131 -0.864 1.00 16.55 C ATOM 1283 O GLU A 443 2.668 2.282 -0.467 1.00 14.67 O ATOM 1284 CB GLU A 443 1.073 0.866 -2.939 1.00 18.77 C ATOM 1285 CG GLU A 443 1.015 0.718 -4.458 1.00 22.51 C ATOM 1286 CD GLU A 443 0.980 -0.729 -4.923 1.00 30.32 C ATOM 1287 OE1 GLU A 443 1.040 -1.642 -4.070 1.00 29.13 O ATOM 1288 OE2 GLU A 443 0.881 -0.951 -6.149 1.00 38.02 O ATOM 1289 H GLU A 443 2.512 -1.245 -3.007 1.00 0.00 H ATOM 1290 N GLU A 444 2.294 0.114 -0.033 1.00 13.90 N ATOM 1291 CA GLU A 444 2.385 0.299 1.412 1.00 13.42 C ATOM 1292 C GLU A 444 3.820 0.571 1.830 1.00 11.94 C ATOM 1293 O GLU A 444 4.076 1.432 2.673 1.00 12.64 O ATOM 1294 CB GLU A 444 1.848 -0.923 2.149 1.00 14.64 C ATOM 1295 CG GLU A 444 0.351 -1.095 1.988 1.00 14.83 C ATOM 1296 CD GLU A 444 -0.135 -2.454 2.444 1.00 19.30 C ATOM 1297 OE1 GLU A 444 0.629 -3.438 2.337 1.00 16.52 O ATOM 1298 OE2 GLU A 444 -1.292 -2.539 2.900 1.00 17.34 O ATOM 1299 H GLU A 444 2.075 -0.827 -0.417 1.00 0.00 H ATOM 1300 N PHE A 445 4.754 -0.173 1.243 1.00 13.44 N ATOM 1301 CA PHE A 445 6.172 -0.008 1.544 1.00 12.36 C ATOM 1302 C PHE A 445 6.642 1.428 1.314 1.00 12.92 C ATOM 1303 O PHE A 445 7.284 2.010 2.186 1.00 11.55 O ATOM 1304 CB PHE A 445 7.012 -0.983 0.712 1.00 13.30 C ATOM 1305 CG PHE A 445 8.469 -0.611 0.615 1.00 14.00 C ATOM 1306 CD1 PHE A 445 9.328 -0.784 1.695 1.00 12.52 C ATOM 1307 CD2 PHE A 445 8.981 -0.101 -0.569 1.00 13.74 C ATOM 1308 CE1 PHE A 445 10.672 -0.444 1.595 1.00 12.58 C ATOM 1309 CE2 PHE A 445 10.323 0.237 -0.676 1.00 13.89 C ATOM 1310 CZ PHE A 445 11.164 0.069 0.409 1.00 12.07 C ATOM 1311 H PHE A 445 4.465 -0.893 0.550 1.00 0.00 H ATOM 1312 N VAL A 446 6.313 2.017 0.163 1.00 12.76 N ATOM 1313 CA VAL A 446 6.808 3.369 -0.098 1.00 14.07 C ATOM 1314 C VAL A 446 6.177 4.381 0.863 1.00 13.10 C ATOM 1315 O VAL A 446 6.832 5.347 1.254 1.00 12.20 O ATOM 1316 CB VAL A 446 6.587 3.817 -1.563 1.00 14.23 C ATOM 1317 CG1 VAL A 446 7.383 2.919 -2.507 1.00 15.40 C ATOM 1318 CG2 VAL A 446 5.106 3.845 -1.941 1.00 12.39 C ATOM 1319 H VAL A 446 5.717 1.526 -0.534 1.00 0.00 H ATOM 1320 N CYS A 447 4.931 4.153 1.272 1.00 11.21 N ATOM 1321 CA CYS A 447 4.320 4.999 2.299 1.00 13.29 C ATOM 1322 C CYS A 447 5.085 4.916 3.624 1.00 11.48 C ATOM 1323 O CYS A 447 5.398 5.936 4.233 1.00 11.03 O ATOM 1324 CB CYS A 447 2.849 4.618 2.507 1.00 12.87 C ATOM 1325 SG CYS A 447 1.741 5.177 1.180 1.00 15.36 S ATOM 1326 H CYS A 447 4.388 3.368 0.859 1.00 0.00 H ATOM 1327 N LEU A 448 5.396 3.701 4.059 1.00 10.90 N ATOM 1328 CA LEU A 448 6.128 3.504 5.309 1.00 11.15 C ATOM 1329 C LEU A 448 7.508 4.144 5.284 1.00 8.91 C ATOM 1330 O LEU A 448 7.949 4.736 6.264 1.00 9.79 O ATOM 1331 CB LEU A 448 6.269 2.015 5.608 1.00 11.48 C ATOM 1332 CG LEU A 448 4.949 1.319 5.912 1.00 13.07 C ATOM 1333 CD1 LEU A 448 5.165 -0.180 6.001 1.00 15.38 C ATOM 1334 CD2 LEU A 448 4.349 1.864 7.204 1.00 15.99 C ATOM 1335 H LEU A 448 5.113 2.872 3.499 1.00 0.00 H ATOM 1336 N LYS A 449 8.188 4.033 4.154 1.00 9.58 N ATOM 1337 CA LYS A 449 9.531 4.567 4.054 1.00 9.97 C ATOM 1338 C LYS A 449 9.511 6.100 4.144 1.00 12.97 C ATOM 1339 O LYS A 449 10.390 6.706 4.757 1.00 11.75 O ATOM 1340 CB LYS A 449 10.194 4.089 2.764 1.00 11.38 C ATOM 1341 CG LYS A 449 11.650 4.470 2.658 1.00 13.96 C ATOM 1342 CD LYS A 449 12.338 3.727 1.530 1.00 14.87 C ATOM 1343 CE LYS A 449 11.702 4.006 0.185 1.00 15.44 C ATOM 1344 NZ LYS A 449 12.651 3.599 -0.878 1.00 15.20 N ATOM 1345 HZ1 LYS A 449 13.532 4.143 -0.782 1.00 0.00 H ATOM 1346 HZ2 LYS A 449 12.858 2.584 -0.786 1.00 0.00 H ATOM 1347 HZ3 LYS A 449 12.227 3.785 -1.809 1.00 0.00 H ATOM 1348 H LYS A 449 7.756 3.560 3.334 1.00 0.00 H ATOM 1349 N SER A 450 8.507 6.722 3.523 1.00 9.79 N ATOM 1350 CA SER A 450 8.349 8.171 3.619 1.00 11.18 C ATOM 1351 C SER A 450 7.941 8.598 5.024 1.00 11.18 C ATOM 1352 O SER A 450 8.373 9.652 5.504 1.00 10.89 O ATOM 1353 CB SER A 450 7.332 8.680 2.599 1.00 13.69 C ATOM 1354 OG SER A 450 7.948 8.843 1.332 1.00 14.65 O ATOM 1355 HG SER A 450 8.306 7.972 1.026 1.00 0.00 H ATOM 1356 H SER A 450 7.828 6.168 2.963 1.00 0.00 H ATOM 1357 N ILE A 451 7.113 7.793 5.683 1.00 10.25 N ATOM 1358 CA ILE A 451 6.760 8.063 7.074 1.00 10.61 C ATOM 1359 C ILE A 451 8.018 8.066 7.965 1.00 10.00 C ATOM 1360 O ILE A 451 8.184 8.954 8.804 1.00 10.74 O ATOM 1361 CB ILE A 451 5.739 7.054 7.615 1.00 10.31 C ATOM 1362 CG1 ILE A 451 4.354 7.357 7.032 1.00 13.00 C ATOM 1363 CG2 ILE A 451 5.697 7.107 9.138 1.00 12.13 C ATOM 1364 CD1 ILE A 451 3.326 6.284 7.293 1.00 11.98 C ATOM 1365 H ILE A 451 6.712 6.962 5.203 1.00 0.00 H ATOM 1366 N ILE A 452 8.919 7.108 7.759 1.00 9.77 N ATOM 1367 CA ILE A 452 10.155 7.067 8.540 1.00 8.68 C ATOM 1368 C ILE A 452 10.970 8.344 8.344 1.00 9.81 C ATOM 1369 O ILE A 452 11.434 8.943 9.311 1.00 9.90 O ATOM 1370 CB ILE A 452 11.026 5.852 8.177 1.00 9.56 C ATOM 1371 CG1 ILE A 452 10.382 4.563 8.692 1.00 9.68 C ATOM 1372 CG2 ILE A 452 12.429 6.011 8.769 1.00 8.39 C ATOM 1373 CD1 ILE A 452 10.985 3.293 8.100 1.00 10.53 C ATOM 1374 H ILE A 452 8.742 6.382 7.036 1.00 0.00 H ATOM 1375 N LEU A 453 11.127 8.772 7.099 1.00 8.03 N ATOM 1376 CA LEU A 453 11.888 9.984 6.812 1.00 10.87 C ATOM 1377 C LEU A 453 11.333 11.199 7.560 1.00 9.25 C ATOM 1378 O LEU A 453 12.083 11.976 8.155 1.00 11.07 O ATOM 1379 CB LEU A 453 11.898 10.262 5.305 1.00 9.40 C ATOM 1380 CG LEU A 453 12.537 11.578 4.865 1.00 10.42 C ATOM 1381 CD1 LEU A 453 14.043 11.553 5.118 1.00 10.45 C ATOM 1382 CD2 LEU A 453 12.226 11.849 3.396 1.00 11.24 C ATOM 1383 H LEU A 453 10.702 8.236 6.316 1.00 0.00 H ATOM 1384 N LEU A 454 10.015 11.351 7.537 1.00 9.62 N ATOM 1385 CA LEU A 454 9.387 12.543 8.098 1.00 11.45 C ATOM 1386 C LEU A 454 9.192 12.446 9.610 1.00 11.85 C ATOM 1387 O LEU A 454 9.191 13.468 10.297 1.00 15.66 O ATOM 1388 CB LEU A 454 8.044 12.811 7.408 1.00 12.39 C ATOM 1389 CG LEU A 454 8.132 13.071 5.897 1.00 15.87 C ATOM 1390 CD1 LEU A 454 6.746 13.216 5.290 1.00 18.48 C ATOM 1391 CD2 LEU A 454 8.972 14.299 5.591 1.00 19.93 C ATOM 1392 H LEU A 454 9.421 10.610 7.113 1.00 0.00 H ATOM 1393 N ASN A 455 9.048 11.227 10.132 1.00 9.53 N ATOM 1394 CA ASN A 455 8.725 11.047 11.549 1.00 12.96 C ATOM 1395 C ASN A 455 9.916 10.903 12.492 1.00 11.10 C ATOM 1396 O ASN A 455 9.895 11.450 13.596 1.00 14.31 O ATOM 1397 CB ASN A 455 7.818 9.827 11.744 1.00 15.23 C ATOM 1398 CG ASN A 455 7.489 9.574 13.215 1.00 11.53 C ATOM 1399 OD1 ASN A 455 6.805 10.379 13.857 1.00 15.08 O ATOM 1400 ND2 ASN A 455 7.964 8.454 13.748 1.00 12.72 N ATOM 1401 HD22 ASN A 455 8.536 7.805 13.170 1.00 0.00 H ATOM 1402 HD21 ASN A 455 7.764 8.226 14.743 1.00 0.00 H ATOM 1403 H ASN A 455 9.167 10.392 9.524 1.00 0.00 H ATOM 1404 N SER A 456 10.951 10.178 12.077 1.00 12.95 N ATOM 1405 CA SER A 456 11.953 9.737 13.048 1.00 14.53 C ATOM 1406 C SER A 456 12.639 10.905 13.751 1.00 15.80 C ATOM 1407 O SER A 456 12.868 10.849 14.959 1.00 18.60 O ATOM 1408 CB SER A 456 12.979 8.822 12.385 1.00 14.42 C ATOM 1409 OG SER A 456 12.397 7.549 12.161 1.00 15.06 O ATOM 1410 HG SER A 456 13.062 6.955 11.731 1.00 0.00 H ATOM 1411 H SER A 456 11.047 9.927 11.072 1.00 0.00 H ATOM 1412 N GLY A 457 12.914 11.980 13.023 1.00 13.77 N ATOM 1413 CA GLY A 457 13.562 13.127 13.631 1.00 15.00 C ATOM 1414 C GLY A 457 12.647 14.285 13.987 1.00 16.04 C ATOM 1415 O GLY A 457 13.124 15.354 14.351 1.00 19.92 O ATOM 1416 H GLY A 457 12.664 12.000 12.014 1.00 0.00 H ATOM 1417 N VAL A 458 11.335 14.092 13.909 1.00 16.52 N ATOM 1418 CA VAL A 458 10.440 15.243 14.018 1.00 21.45 C ATOM 1419 C VAL A 458 10.287 15.763 15.459 1.00 28.58 C ATOM 1420 O VAL A 458 9.963 16.933 15.650 1.00 33.46 O ATOM 1421 CB VAL A 458 9.041 14.933 13.407 1.00 20.93 C ATOM 1422 CG1 VAL A 458 8.229 14.000 14.296 1.00 18.85 C ATOM 1423 CG2 VAL A 458 8.277 16.229 13.127 1.00 27.73 C ATOM 1424 H VAL A 458 10.950 13.136 13.772 1.00 0.00 H ATOM 1425 N TYR A 459 10.549 14.935 16.471 1.00 28.20 N ATOM 1426 CA TYR A 459 10.439 15.418 17.858 1.00 36.98 C ATOM 1427 C TYR A 459 11.790 15.728 18.452 1.00 47.99 C ATOM 1428 O TYR A 459 11.975 15.709 19.669 1.00 54.48 O ATOM 1429 CB TYR A 459 9.684 14.420 18.722 1.00 34.98 C ATOM 1430 CG TYR A 459 8.317 14.279 18.161 1.00 37.85 C ATOM 1431 CD1 TYR A 459 7.636 15.404 17.727 1.00 41.84 C ATOM 1432 CD2 TYR A 459 7.740 13.040 17.970 1.00 34.84 C ATOM 1433 CE1 TYR A 459 6.403 15.309 17.166 1.00 42.73 C ATOM 1434 CE2 TYR A 459 6.495 12.928 17.404 1.00 34.76 C ATOM 1435 CZ TYR A 459 5.833 14.072 17.003 1.00 41.61 C ATOM 1436 OH TYR A 459 4.590 13.994 16.433 1.00 45.39 O ATOM 1437 HH TYR A 459 4.272 14.905 16.211 1.00 0.00 H ATOM 1438 H TYR A 459 10.830 13.952 16.282 1.00 0.00 H ATOM 1439 N THR A 460 12.729 15.974 17.548 1.00 50.87 N ATOM 1440 CA THR A 460 13.949 16.715 17.803 1.00 53.82 C ATOM 1441 C THR A 460 13.753 17.990 16.998 1.00 56.24 C ATOM 1442 O THR A 460 14.717 18.653 16.622 1.00 58.82 O ATOM 1443 CB THR A 460 15.225 15.972 17.325 1.00 36.66 C ATOM 1444 OG1 THR A 460 14.862 14.780 16.617 1.00 32.81 O ATOM 1445 CG2 THR A 460 16.142 15.608 18.482 1.00 40.67 C ATOM 1446 HG1 THR A 460 14.310 15.020 15.831 1.00 0.00 H ATOM 1447 H THR A 460 12.579 15.609 16.586 1.00 0.00 H ATOM 1448 N PHE A 461 12.479 18.283 16.719 1.00 57.57 N ATOM 1449 CA PHE A 461 12.012 19.310 15.769 1.00 58.69 C ATOM 1450 C PHE A 461 12.676 19.217 14.391 1.00 56.65 C ATOM 1451 O PHE A 461 12.012 18.935 13.388 1.00 54.24 O ATOM 1452 CB PHE A 461 12.204 20.704 16.349 1.00 61.57 C ATOM 1453 H PHE A 461 11.749 17.736 17.218 1.00 0.00 H TER 1454 PHE A 461 ATOM 1455 N LYS A 472 6.908 22.067 11.866 1.00 56.10 N ATOM 1456 CA LYS A 472 6.433 20.978 12.703 1.00 53.60 C ATOM 1457 C LYS A 472 5.073 20.546 12.234 1.00 49.49 C ATOM 1458 O LYS A 472 4.829 19.375 11.933 1.00 39.56 O ATOM 1459 CB LYS A 472 6.341 21.422 14.154 1.00 56.35 C ATOM 1460 CG LYS A 472 6.421 20.294 15.136 1.00 54.63 C ATOM 1461 CD LYS A 472 7.858 19.919 15.408 1.00 54.39 C ATOM 1462 CE LYS A 472 8.010 19.530 16.861 1.00 53.55 C ATOM 1463 NZ LYS A 472 9.120 20.287 17.493 1.00 54.35 N ATOM 1464 HZ1 LYS A 472 10.008 20.079 16.994 1.00 0.00 H ATOM 1465 HZ2 LYS A 472 8.920 21.306 17.436 1.00 0.00 H ATOM 1466 HZ3 LYS A 472 9.207 20.005 18.490 1.00 0.00 H ATOM 1467 HN3 LYS A 472 6.247 22.867 11.932 1.00 0.00 H ATOM 1468 HN2 LYS A 472 6.966 21.744 10.879 1.00 0.00 H ATOM 1469 HN1 LYS A 472 7.850 22.367 12.190 1.00 0.00 H ATOM 1470 N ASP A 473 4.187 21.534 12.201 1.00 47.69 N ATOM 1471 CA ASP A 473 2.818 21.338 11.786 1.00 48.26 C ATOM 1472 C ASP A 473 2.770 20.925 10.342 1.00 41.06 C ATOM 1473 O ASP A 473 1.932 20.128 9.953 1.00 36.92 O ATOM 1474 CB ASP A 473 2.006 22.611 11.977 1.00 56.21 C ATOM 1475 CG ASP A 473 0.639 22.519 11.333 1.00 63.03 C ATOM 1476 OD1 ASP A 473 -0.211 21.776 11.867 1.00 65.03 O ATOM 1477 OD2 ASP A 473 0.413 23.182 10.300 1.00 66.13 O ATOM 1478 H ASP A 473 4.491 22.487 12.485 1.00 0.00 H ATOM 1479 N HIS A 474 3.661 21.491 9.546 1.00 41.36 N ATOM 1480 CA HIS A 474 3.710 21.156 8.143 1.00 40.12 C ATOM 1481 C HIS A 474 4.019 19.676 7.965 1.00 33.17 C ATOM 1482 O HIS A 474 3.390 18.990 7.161 1.00 30.79 O ATOM 1483 CB HIS A 474 4.754 22.016 7.445 1.00 44.53 C ATOM 1484 CG HIS A 474 5.110 21.544 6.076 1.00 46.26 C ATOM 1485 ND1 HIS A 474 4.192 21.471 5.051 1.00 45.81 N ATOM 1486 CD2 HIS A 474 6.289 21.129 5.559 1.00 47.01 C ATOM 1487 CE1 HIS A 474 4.792 21.030 3.960 1.00 44.83 C ATOM 1488 NE2 HIS A 474 6.064 20.815 4.241 1.00 46.75 N ATOM 1489 H HIS A 474 4.333 22.184 9.934 1.00 0.00 H ATOM 1490 N ILE A 475 4.986 19.184 8.731 1.00 30.75 N ATOM 1491 CA ILE A 475 5.383 17.797 8.588 1.00 27.07 C ATOM 1492 C ILE A 475 4.206 16.937 9.004 1.00 24.76 C ATOM 1493 O ILE A 475 3.888 15.954 8.345 1.00 22.53 O ATOM 1494 CB ILE A 475 6.628 17.451 9.420 1.00 30.23 C ATOM 1495 CG1 ILE A 475 7.887 17.989 8.757 1.00 30.94 C ATOM 1496 CG2 ILE A 475 6.778 15.949 9.575 1.00 31.61 C ATOM 1497 CD1 ILE A 475 9.011 18.152 9.734 1.00 32.84 C ATOM 1498 H ILE A 475 5.457 19.792 9.431 1.00 0.00 H ATOM 1499 N HIS A 476 3.544 17.336 10.082 1.00 25.38 N ATOM 1500 CA HIS A 476 2.422 16.566 10.593 1.00 26.78 C ATOM 1501 C HIS A 476 1.279 16.472 9.607 1.00 24.87 C ATOM 1502 O HIS A 476 0.574 15.466 9.567 1.00 22.36 O ATOM 1503 CB HIS A 476 1.927 17.158 11.900 1.00 31.53 C ATOM 1504 CG HIS A 476 2.780 16.790 13.066 1.00 38.51 C ATOM 1505 ND1 HIS A 476 2.879 17.570 14.196 1.00 45.63 N ATOM 1506 CD2 HIS A 476 3.583 15.720 13.273 1.00 40.99 C ATOM 1507 CE1 HIS A 476 3.706 16.996 15.051 1.00 47.14 C ATOM 1508 NE2 HIS A 476 4.147 15.872 14.515 1.00 43.85 N ATOM 1509 H HIS A 476 3.831 18.210 10.567 1.00 0.00 H ATOM 1510 N ARG A 477 1.091 17.512 8.807 1.00 24.42 N ATOM 1511 CA ARG A 477 0.053 17.454 7.795 1.00 24.17 C ATOM 1512 C ARG A 477 0.406 16.492 6.681 1.00 23.23 C ATOM 1513 O ARG A 477 -0.469 15.783 6.190 1.00 22.11 O ATOM 1514 CB ARG A 477 -0.221 18.833 7.232 1.00 31.73 C ATOM 1515 CG ARG A 477 -0.901 19.689 8.253 1.00 38.59 C ATOM 1516 CD ARG A 477 -1.223 21.032 7.699 1.00 49.64 C ATOM 1517 NE ARG A 477 -0.019 21.701 7.237 1.00 58.77 N ATOM 1518 CZ ARG A 477 0.115 23.018 7.206 1.00 64.57 C ATOM 1519 NH1 ARG A 477 -0.884 23.784 7.620 1.00 69.29 N ATOM 1520 NH2 ARG A 477 1.240 23.566 6.771 1.00 64.17 N ATOM 1521 HE ARG A 477 0.778 21.116 6.914 1.00 0.00 H ATOM 1522 HH12 ARG A 477 -0.788 24.819 7.600 1.00 0.00 H ATOM 1523 HH11 ARG A 477 -1.764 23.350 7.965 1.00 0.00 H ATOM 1524 HH22 ARG A 477 1.340 24.601 6.749 1.00 0.00 H ATOM 1525 HH21 ARG A 477 2.023 22.961 6.452 1.00 0.00 H ATOM 1526 H ARG A 477 1.682 18.362 8.904 1.00 0.00 H ATOM 1527 N VAL A 478 1.673 16.450 6.282 1.00 22.19 N ATOM 1528 CA VAL A 478 2.071 15.487 5.266 1.00 21.26 C ATOM 1529 C VAL A 478 1.959 14.078 5.836 1.00 17.16 C ATOM 1530 O VAL A 478 1.486 13.169 5.156 1.00 18.26 O ATOM 1531 CB VAL A 478 3.502 15.725 4.734 1.00 20.98 C ATOM 1532 CG1 VAL A 478 3.913 14.575 3.830 1.00 21.04 C ATOM 1533 CG2 VAL A 478 3.574 17.046 3.974 1.00 23.62 C ATOM 1534 H VAL A 478 2.374 17.100 6.692 1.00 0.00 H ATOM 1535 N LEU A 479 2.376 13.893 7.085 1.00 16.08 N ATOM 1536 CA LEU A 479 2.242 12.585 7.717 1.00 16.30 C ATOM 1537 C LEU A 479 0.775 12.131 7.735 1.00 15.63 C ATOM 1538 O LEU A 479 0.484 10.966 7.462 1.00 15.60 O ATOM 1539 CB LEU A 479 2.826 12.603 9.133 1.00 17.18 C ATOM 1540 CG LEU A 479 4.350 12.471 9.202 1.00 14.13 C ATOM 1541 CD1 LEU A 479 4.849 12.710 10.618 1.00 16.98 C ATOM 1542 CD2 LEU A 479 4.795 11.097 8.712 1.00 15.89 C ATOM 1543 H LEU A 479 2.799 14.683 7.613 1.00 0.00 H ATOM 1544 N ASP A 480 -0.148 13.045 8.037 1.00 17.86 N ATOM 1545 CA ASP A 480 -1.577 12.718 8.010 1.00 16.58 C ATOM 1546 C ASP A 480 -2.042 12.315 6.616 1.00 15.14 C ATOM 1547 O ASP A 480 -2.909 11.456 6.459 1.00 16.28 O ATOM 1548 CB ASP A 480 -2.427 13.896 8.483 1.00 15.50 C ATOM 1549 CG ASP A 480 -2.370 14.102 9.976 1.00 19.75 C ATOM 1550 OD1 ASP A 480 -1.925 13.182 10.695 1.00 18.22 O ATOM 1551 OD2 ASP A 480 -2.786 15.192 10.425 1.00 18.78 O ATOM 1552 H ASP A 480 0.151 14.007 8.296 1.00 0.00 H ATOM 1553 N LYS A 481 -1.474 12.956 5.604 1.00 15.15 N ATOM 1554 CA LYS A 481 -1.848 12.657 4.232 1.00 17.47 C ATOM 1555 C LYS A 481 -1.378 11.255 3.854 1.00 17.27 C ATOM 1556 O LYS A 481 -2.070 10.532 3.131 1.00 16.18 O ATOM 1557 CB LYS A 481 -1.273 13.701 3.277 1.00 22.11 C ATOM 1558 CG LYS A 481 -1.481 13.373 1.805 1.00 31.18 C ATOM 1559 CD LYS A 481 -2.947 13.430 1.408 1.00 38.97 C ATOM 1560 CE LYS A 481 -3.563 14.780 1.730 1.00 43.13 C ATOM 1561 NZ LYS A 481 -4.872 14.940 1.039 1.00 43.84 N ATOM 1562 HZ1 LYS A 481 -4.731 14.871 0.011 1.00 0.00 H ATOM 1563 HZ2 LYS A 481 -5.522 14.190 1.352 1.00 0.00 H ATOM 1564 HZ3 LYS A 481 -5.275 15.870 1.273 1.00 0.00 H ATOM 1565 H LYS A 481 -0.753 13.681 5.794 1.00 0.00 H ATOM 1566 N ILE A 482 -0.211 10.858 4.351 1.00 14.77 N ATOM 1567 CA ILE A 482 0.267 9.508 4.079 1.00 14.49 C ATOM 1568 C ILE A 482 -0.620 8.481 4.795 1.00 13.93 C ATOM 1569 O ILE A 482 -0.892 7.412 4.250 1.00 16.86 O ATOM 1570 CB ILE A 482 1.740 9.332 4.480 1.00 14.07 C ATOM 1571 CG1 ILE A 482 2.597 10.378 3.762 1.00 16.41 C ATOM 1572 CG2 ILE A 482 2.232 7.917 4.121 1.00 13.92 C ATOM 1573 CD1 ILE A 482 4.083 10.211 3.977 1.00 18.91 C ATOM 1574 H ILE A 482 0.358 11.507 4.931 1.00 0.00 H ATOM 1575 N THR A 483 -1.091 8.810 5.997 1.00 12.94 N ATOM 1576 CA THR A 483 -2.055 7.951 6.680 1.00 15.29 C ATOM 1577 C THR A 483 -3.312 7.780 5.831 1.00 16.34 C ATOM 1578 O THR A 483 -3.776 6.655 5.628 1.00 15.31 O ATOM 1579 CB THR A 483 -2.446 8.497 8.068 1.00 14.11 C ATOM 1580 OG1 THR A 483 -1.281 8.554 8.901 1.00 13.17 O ATOM 1581 CG2 THR A 483 -3.497 7.592 8.724 1.00 12.94 C ATOM 1582 HG1 THR A 483 -0.609 9.152 8.487 1.00 0.00 H ATOM 1583 H THR A 483 -0.769 9.687 6.454 1.00 0.00 H ATOM 1584 N ASP A 484 -3.855 8.891 5.329 1.00 14.74 N ATOM 1585 CA ASP A 484 -5.030 8.830 4.454 1.00 17.93 C ATOM 1586 C ASP A 484 -4.765 7.904 3.274 1.00 16.46 C ATOM 1587 O ASP A 484 -5.629 7.135 2.852 1.00 18.65 O ATOM 1588 CB ASP A 484 -5.413 10.212 3.911 1.00 17.02 C ATOM 1589 CG ASP A 484 -5.827 11.189 4.989 1.00 16.84 C ATOM 1590 OD1 ASP A 484 -6.112 10.768 6.128 1.00 15.95 O ATOM 1591 OD2 ASP A 484 -5.880 12.397 4.676 1.00 18.48 O ATOM 1592 H ASP A 484 -3.438 9.815 5.562 1.00 0.00 H ATOM 1593 N THR A 485 -3.550 7.998 2.746 1.00 15.80 N ATOM 1594 CA THR A 485 -3.143 7.237 1.575 1.00 16.04 C ATOM 1595 C THR A 485 -3.052 5.736 1.885 1.00 16.86 C ATOM 1596 O THR A 485 -3.506 4.911 1.093 1.00 16.29 O ATOM 1597 CB THR A 485 -1.801 7.766 1.035 1.00 17.60 C ATOM 1598 OG1 THR A 485 -1.943 9.156 0.707 1.00 20.27 O ATOM 1599 CG2 THR A 485 -1.369 7.008 -0.217 1.00 18.21 C ATOM 1600 HG1 THR A 485 -2.199 9.661 1.519 1.00 0.00 H ATOM 1601 H THR A 485 -2.862 8.641 3.187 1.00 0.00 H ATOM 1602 N LEU A 486 -2.497 5.379 3.041 1.00 15.83 N ATOM 1603 CA LEU A 486 -2.458 3.973 3.446 1.00 14.31 C ATOM 1604 C LEU A 486 -3.858 3.382 3.563 1.00 17.01 C ATOM 1605 O LEU A 486 -4.113 2.280 3.069 1.00 15.78 O ATOM 1606 CB LEU A 486 -1.716 3.810 4.770 1.00 13.11 C ATOM 1607 CG LEU A 486 -0.199 3.770 4.622 1.00 16.78 C ATOM 1608 CD1 LEU A 486 0.428 3.934 5.981 1.00 12.85 C ATOM 1609 CD2 LEU A 486 0.247 2.459 3.970 1.00 14.66 C ATOM 1610 H LEU A 486 -2.087 6.106 3.662 1.00 0.00 H ATOM 1611 N ILE A 487 -4.761 4.113 4.217 1.00 15.94 N ATOM 1612 CA ILE A 487 -6.143 3.656 4.378 1.00 13.92 C ATOM 1613 C ILE A 487 -6.820 3.500 3.017 1.00 16.68 C ATOM 1614 O ILE A 487 -7.519 2.520 2.766 1.00 17.30 O ATOM 1615 CB ILE A 487 -6.966 4.621 5.265 1.00 15.84 C ATOM 1616 CG1 ILE A 487 -6.491 4.559 6.722 1.00 17.38 C ATOM 1617 CG2 ILE A 487 -8.455 4.291 5.179 1.00 14.77 C ATOM 1618 CD1 ILE A 487 -6.677 3.196 7.384 1.00 15.13 C ATOM 1619 H ILE A 487 -4.478 5.028 4.622 1.00 0.00 H ATOM 1620 N HIS A 488 -6.588 4.465 2.136 1.00 17.87 N ATOM 1621 CA HIS A 488 -7.116 4.426 0.777 1.00 18.72 C ATOM 1622 C HIS A 488 -6.657 3.169 0.028 1.00 17.08 C ATOM 1623 O HIS A 488 -7.458 2.497 -0.625 1.00 22.72 O ATOM 1624 CB HIS A 488 -6.688 5.695 0.036 1.00 22.16 C ATOM 1625 CG HIS A 488 -6.939 5.661 -1.439 1.00 29.56 C ATOM 1626 ND1 HIS A 488 -8.182 5.881 -1.989 1.00 35.56 N ATOM 1627 CD2 HIS A 488 -6.097 5.453 -2.478 1.00 30.11 C ATOM 1628 CE1 HIS A 488 -8.098 5.800 -3.305 1.00 36.57 C ATOM 1629 NE2 HIS A 488 -6.844 5.541 -3.628 1.00 34.51 N ATOM 1630 H HIS A 488 -6.009 5.279 2.425 1.00 0.00 H ATOM 1631 N LEU A 489 -5.368 2.854 0.135 1.00 16.24 N ATOM 1632 CA LEU A 489 -4.809 1.650 -0.474 1.00 16.80 C ATOM 1633 C LEU A 489 -5.489 0.390 0.046 1.00 17.48 C ATOM 1634 O LEU A 489 -5.832 -0.508 -0.721 1.00 19.89 O ATOM 1635 CB LEU A 489 -3.304 1.572 -0.210 1.00 20.26 C ATOM 1636 CG LEU A 489 -2.472 2.545 -1.043 1.00 18.21 C ATOM 1637 CD1 LEU A 489 -1.064 2.669 -0.490 1.00 17.80 C ATOM 1638 CD2 LEU A 489 -2.440 2.091 -2.497 1.00 22.47 C ATOM 1639 H LEU A 489 -4.738 3.486 0.670 1.00 0.00 H ATOM 1640 N MET A 490 -5.675 0.325 1.357 1.00 16.11 N ATOM 1641 CA MET A 490 -6.284 -0.849 1.962 1.00 14.71 C ATOM 1642 C MET A 490 -7.746 -0.986 1.567 1.00 18.92 C ATOM 1643 O MET A 490 -8.217 -2.085 1.280 1.00 20.21 O ATOM 1644 CB MET A 490 -6.131 -0.788 3.474 1.00 12.46 C ATOM 1645 CG MET A 490 -4.674 -0.802 3.882 1.00 13.31 C ATOM 1646 SD MET A 490 -4.484 -0.599 5.652 1.00 17.54 S ATOM 1647 CE MET A 490 -2.732 -0.273 5.749 1.00 18.53 C ATOM 1648 H MET A 490 -5.383 1.121 1.959 1.00 0.00 H ATOM 1649 N ALA A 491 -8.458 0.136 1.543 1.00 18.21 N ATOM 1650 CA ALA A 491 -9.850 0.149 1.117 1.00 19.37 C ATOM 1651 C ALA A 491 -9.971 -0.326 -0.328 1.00 21.20 C ATOM 1652 O ALA A 491 -10.814 -1.159 -0.663 1.00 23.78 O ATOM 1653 CB ALA A 491 -10.435 1.548 1.268 1.00 20.77 C ATOM 1654 H ALA A 491 -8.009 1.027 1.836 1.00 0.00 H ATOM 1655 N LYS A 492 -9.104 0.211 -1.177 1.00 21.50 N ATOM 1656 CA LYS A 492 -9.089 -0.119 -2.591 1.00 23.75 C ATOM 1657 C LYS A 492 -8.796 -1.610 -2.780 1.00 25.03 C ATOM 1658 O LYS A 492 -9.276 -2.236 -3.727 1.00 28.48 O ATOM 1659 CB LYS A 492 -8.051 0.759 -3.295 1.00 25.80 C ATOM 1660 CG LYS A 492 -8.036 0.714 -4.800 1.00 36.61 C ATOM 1661 CD LYS A 492 -6.940 1.629 -5.312 1.00 42.10 C ATOM 1662 CE LYS A 492 -6.617 1.340 -6.756 1.00 49.38 C ATOM 1663 NZ LYS A 492 -6.004 2.536 -7.378 1.00 52.84 N ATOM 1664 HZ1 LYS A 492 -6.670 3.333 -7.325 1.00 0.00 H ATOM 1665 HZ2 LYS A 492 -5.130 2.780 -6.870 1.00 0.00 H ATOM 1666 HZ3 LYS A 492 -5.783 2.333 -8.374 1.00 0.00 H ATOM 1667 H LYS A 492 -8.408 0.895 -0.816 1.00 0.00 H ATOM 1668 N ALA A 493 -8.032 -2.175 -1.848 1.00 22.28 N ATOM 1669 CA ALA A 493 -7.675 -3.593 -1.878 1.00 24.47 C ATOM 1670 C ALA A 493 -8.773 -4.490 -1.300 1.00 27.08 C ATOM 1671 O ALA A 493 -8.631 -5.713 -1.265 1.00 31.10 O ATOM 1672 CB ALA A 493 -6.382 -3.817 -1.130 1.00 24.59 C ATOM 1673 H ALA A 493 -7.675 -1.586 -1.069 1.00 0.00 H ATOM 1674 N GLY A 494 -9.856 -3.883 -0.825 1.00 24.84 N ATOM 1675 CA GLY A 494 -11.008 -4.645 -0.376 1.00 24.73 C ATOM 1676 C GLY A 494 -11.071 -4.978 1.103 1.00 23.13 C ATOM 1677 O GLY A 494 -11.932 -5.750 1.529 1.00 23.07 O ATOM 1678 H GLY A 494 -9.879 -2.845 -0.774 1.00 0.00 H ATOM 1679 N LEU A 495 -10.174 -4.402 1.898 1.00 18.12 N ATOM 1680 CA LEU A 495 -10.194 -4.650 3.335 1.00 17.23 C ATOM 1681 C LEU A 495 -11.434 -4.032 3.961 1.00 19.01 C ATOM 1682 O LEU A 495 -11.871 -2.957 3.550 1.00 18.61 O ATOM 1683 CB LEU A 495 -8.937 -4.100 4.005 1.00 16.74 C ATOM 1684 CG LEU A 495 -7.799 -5.114 4.103 1.00 21.45 C ATOM 1685 CD1 LEU A 495 -7.438 -5.654 2.735 1.00 27.74 C ATOM 1686 CD2 LEU A 495 -6.590 -4.486 4.777 1.00 17.55 C ATOM 1687 H LEU A 495 -9.454 -3.771 1.492 1.00 0.00 H ATOM 1688 N THR A 496 -12.005 -4.719 4.946 1.00 15.64 N ATOM 1689 CA THR A 496 -13.129 -4.163 5.691 1.00 15.33 C ATOM 1690 C THR A 496 -12.654 -2.964 6.505 1.00 14.13 C ATOM 1691 O THR A 496 -11.456 -2.774 6.722 1.00 13.72 O ATOM 1692 CB THR A 496 -13.771 -5.193 6.642 1.00 17.32 C ATOM 1693 OG1 THR A 496 -12.836 -5.528 7.677 1.00 17.99 O ATOM 1694 CG2 THR A 496 -14.179 -6.456 5.882 1.00 17.59 C ATOM 1695 HG1 THR A 496 -13.246 -6.189 8.289 1.00 0.00 H ATOM 1696 H THR A 496 -11.646 -5.664 5.188 1.00 0.00 H ATOM 1697 N LEU A 497 -13.602 -2.154 6.955 1.00 16.72 N ATOM 1698 CA LEU A 497 -13.279 -0.980 7.747 1.00 14.82 C ATOM 1699 C LEU A 497 -12.453 -1.335 8.980 1.00 14.08 C ATOM 1700 O LEU A 497 -11.480 -0.648 9.299 1.00 14.23 O ATOM 1701 CB LEU A 497 -14.557 -0.258 8.155 1.00 16.43 C ATOM 1702 CG LEU A 497 -14.326 1.041 8.920 1.00 17.48 C ATOM 1703 CD1 LEU A 497 -13.467 1.994 8.106 1.00 20.75 C ATOM 1704 CD2 LEU A 497 -15.663 1.675 9.243 1.00 19.92 C ATOM 1705 H LEU A 497 -14.597 -2.363 6.737 1.00 0.00 H ATOM 1706 N GLN A 498 -12.835 -2.401 9.682 1.00 15.26 N ATOM 1707 CA GLN A 498 -12.068 -2.844 10.846 1.00 13.92 C ATOM 1708 C GLN A 498 -10.694 -3.336 10.426 1.00 14.05 C ATOM 1709 O GLN A 498 -9.698 -3.068 11.099 1.00 12.51 O ATOM 1710 CB GLN A 498 -12.800 -3.951 11.609 1.00 14.84 C ATOM 1711 CG GLN A 498 -14.117 -3.517 12.209 1.00 15.36 C ATOM 1712 CD GLN A 498 -14.806 -4.627 12.977 1.00 23.35 C ATOM 1713 OE1 GLN A 498 -14.446 -5.800 12.860 1.00 26.63 O ATOM 1714 NE2 GLN A 498 -15.798 -4.258 13.777 1.00 17.55 N ATOM 1715 HE22 GLN A 498 -16.067 -3.256 13.843 1.00 0.00 H ATOM 1716 HE21 GLN A 498 -16.307 -4.971 14.338 1.00 0.00 H ATOM 1717 H GLN A 498 -13.688 -2.924 9.399 1.00 0.00 H ATOM 1718 N GLN A 499 -10.640 -4.059 9.312 1.00 13.57 N ATOM 1719 CA GLN A 499 -9.361 -4.563 8.822 1.00 14.90 C ATOM 1720 C GLN A 499 -8.418 -3.430 8.485 1.00 14.74 C ATOM 1721 O GLN A 499 -7.206 -3.562 8.640 1.00 14.61 O ATOM 1722 CB GLN A 499 -9.550 -5.452 7.600 1.00 16.96 C ATOM 1723 CG GLN A 499 -10.092 -6.817 7.947 1.00 14.75 C ATOM 1724 CD GLN A 499 -10.521 -7.610 6.730 1.00 18.67 C ATOM 1725 OE1 GLN A 499 -10.675 -7.067 5.636 1.00 18.23 O ATOM 1726 NE2 GLN A 499 -10.721 -8.907 6.916 1.00 26.39 N ATOM 1727 HE22 GLN A 499 -10.579 -9.325 7.858 1.00 0.00 H ATOM 1728 HE21 GLN A 499 -11.020 -9.506 6.120 1.00 0.00 H ATOM 1729 H GLN A 499 -11.513 -4.267 8.787 1.00 0.00 H ATOM 1730 N GLN A 500 -8.976 -2.317 8.027 1.00 13.53 N ATOM 1731 CA GLN A 500 -8.161 -1.175 7.655 1.00 13.93 C ATOM 1732 C GLN A 500 -7.422 -0.614 8.867 1.00 12.05 C ATOM 1733 O GLN A 500 -6.205 -0.397 8.799 1.00 11.77 O ATOM 1734 CB GLN A 500 -9.019 -0.096 6.994 1.00 12.79 C ATOM 1735 CG GLN A 500 -9.541 -0.484 5.611 1.00 15.41 C ATOM 1736 CD GLN A 500 -10.649 0.438 5.137 1.00 16.37 C ATOM 1737 OE1 GLN A 500 -10.643 1.633 5.440 1.00 16.58 O ATOM 1738 NE2 GLN A 500 -11.618 -0.116 4.405 1.00 16.52 N ATOM 1739 HE22 GLN A 500 -11.581 -1.129 4.174 1.00 0.00 H ATOM 1740 HE21 GLN A 500 -12.410 0.466 4.066 1.00 0.00 H ATOM 1741 H GLN A 500 -10.010 -2.262 7.933 1.00 0.00 H ATOM 1742 N HIS A 501 -8.124 -0.384 9.980 1.00 10.87 N ATOM 1743 CA HIS A 501 -7.415 0.199 11.113 1.00 11.92 C ATOM 1744 C HIS A 501 -6.513 -0.840 11.780 1.00 12.98 C ATOM 1745 O HIS A 501 -5.450 -0.483 12.294 1.00 11.81 O ATOM 1746 CB HIS A 501 -8.368 0.879 12.132 1.00 14.94 C ATOM 1747 CG HIS A 501 -9.254 -0.043 12.924 1.00 12.53 C ATOM 1748 ND1 HIS A 501 -10.627 0.084 12.921 1.00 13.24 N ATOM 1749 CD2 HIS A 501 -8.974 -1.027 13.814 1.00 13.56 C ATOM 1750 CE1 HIS A 501 -11.157 -0.810 13.737 1.00 13.46 C ATOM 1751 NE2 HIS A 501 -10.176 -1.501 14.287 1.00 14.10 N ATOM 1752 H HIS A 501 -9.137 -0.612 10.036 1.00 0.00 H ATOM 1753 N GLN A 502 -6.886 -2.116 11.729 1.00 11.70 N ATOM 1754 CA GLN A 502 -6.008 -3.143 12.291 1.00 12.12 C ATOM 1755 C GLN A 502 -4.705 -3.243 11.514 1.00 11.49 C ATOM 1756 O GLN A 502 -3.634 -3.354 12.113 1.00 12.40 O ATOM 1757 CB GLN A 502 -6.714 -4.495 12.328 1.00 12.61 C ATOM 1758 CG GLN A 502 -7.865 -4.501 13.311 1.00 13.02 C ATOM 1759 CD GLN A 502 -8.653 -5.789 13.290 1.00 19.40 C ATOM 1760 OE1 GLN A 502 -8.591 -6.558 12.330 1.00 22.50 O ATOM 1761 NE2 GLN A 502 -9.407 -6.032 14.355 1.00 20.99 N ATOM 1762 HE22 GLN A 502 -9.428 -5.353 15.143 1.00 0.00 H ATOM 1763 HE21 GLN A 502 -9.977 -6.901 14.402 1.00 0.00 H ATOM 1764 H GLN A 502 -7.793 -2.381 11.294 1.00 0.00 H ATOM 1765 N ARG A 503 -4.782 -3.181 10.189 1.00 11.28 N ATOM 1766 CA ARG A 503 -3.571 -3.301 9.388 1.00 9.92 C ATOM 1767 C ARG A 503 -2.718 -2.041 9.471 1.00 11.86 C ATOM 1768 O ARG A 503 -1.489 -2.125 9.508 1.00 12.28 O ATOM 1769 CB ARG A 503 -3.903 -3.614 7.928 1.00 12.09 C ATOM 1770 CG ARG A 503 -2.659 -3.822 7.071 1.00 13.30 C ATOM 1771 CD ARG A 503 -3.057 -4.273 5.687 1.00 14.01 C ATOM 1772 NE ARG A 503 -1.916 -4.503 4.802 1.00 14.04 N ATOM 1773 CZ ARG A 503 -1.252 -5.653 4.709 1.00 17.31 C ATOM 1774 NH1 ARG A 503 -1.586 -6.687 5.471 1.00 16.04 N ATOM 1775 NH2 ARG A 503 -0.240 -5.765 3.854 1.00 14.81 N ATOM 1776 HE ARG A 503 -1.601 -3.713 4.203 1.00 0.00 H ATOM 1777 HH12 ARG A 503 -1.062 -7.582 5.392 1.00 0.00 H ATOM 1778 HH11 ARG A 503 -2.372 -6.602 6.147 1.00 0.00 H ATOM 1779 HH22 ARG A 503 0.281 -6.662 3.779 1.00 0.00 H ATOM 1780 HH21 ARG A 503 0.031 -4.955 3.260 1.00 0.00 H ATOM 1781 H ARG A 503 -5.703 -3.047 9.725 1.00 0.00 H ATOM 1782 N LEU A 504 -3.365 -0.877 9.498 1.00 11.23 N ATOM 1783 CA LEU A 504 -2.643 0.373 9.702 1.00 12.03 C ATOM 1784 C LEU A 504 -1.771 0.258 10.943 1.00 11.45 C ATOM 1785 O LEU A 504 -0.577 0.560 10.906 1.00 9.22 O ATOM 1786 CB LEU A 504 -3.602 1.555 9.841 1.00 12.86 C ATOM 1787 CG LEU A 504 -2.923 2.893 10.145 1.00 12.28 C ATOM 1788 CD1 LEU A 504 -1.989 3.277 9.004 1.00 12.60 C ATOM 1789 CD2 LEU A 504 -3.957 3.972 10.390 1.00 12.69 C ATOM 1790 H LEU A 504 -4.397 -0.860 9.372 1.00 0.00 H ATOM 1791 N ALA A 505 -2.365 -0.217 12.034 1.00 12.27 N ATOM 1792 CA ALA A 505 -1.629 -0.365 13.286 1.00 10.75 C ATOM 1793 C ALA A 505 -0.498 -1.386 13.167 1.00 11.34 C ATOM 1794 O ALA A 505 0.607 -1.129 13.635 1.00 10.82 O ATOM 1795 CB ALA A 505 -2.568 -0.751 14.413 1.00 9.22 C ATOM 1796 H ALA A 505 -3.369 -0.487 11.995 1.00 0.00 H ATOM 1797 N GLN A 506 -0.765 -2.532 12.546 1.00 11.19 N ATOM 1798 CA GLN A 506 0.266 -3.557 12.372 1.00 11.34 C ATOM 1799 C GLN A 506 1.465 -3.004 11.603 1.00 11.99 C ATOM 1800 O GLN A 506 2.621 -3.250 11.971 1.00 11.25 O ATOM 1801 CB GLN A 506 -0.300 -4.786 11.649 1.00 11.83 C ATOM 1802 CG GLN A 506 -1.341 -5.575 12.428 1.00 16.67 C ATOM 1803 CD GLN A 506 -2.238 -6.402 11.511 1.00 22.83 C ATOM 1804 OE1 GLN A 506 -1.920 -6.611 10.338 1.00 23.74 O ATOM 1805 NE2 GLN A 506 -3.374 -6.860 12.039 1.00 22.70 N ATOM 1806 HE22 GLN A 506 -3.603 -6.660 13.034 1.00 0.00 H ATOM 1807 HE21 GLN A 506 -4.031 -7.417 11.456 1.00 0.00 H ATOM 1808 H GLN A 506 -1.723 -2.703 12.178 1.00 0.00 H ATOM 1809 N LEU A 507 1.196 -2.249 10.540 1.00 11.12 N ATOM 1810 CA LEU A 507 2.274 -1.675 9.738 1.00 11.17 C ATOM 1811 C LEU A 507 3.073 -0.654 10.532 1.00 11.82 C ATOM 1812 O LEU A 507 4.304 -0.653 10.497 1.00 12.18 O ATOM 1813 CB LEU A 507 1.723 -1.019 8.474 1.00 12.51 C ATOM 1814 CG LEU A 507 1.095 -1.971 7.456 1.00 17.95 C ATOM 1815 CD1 LEU A 507 0.437 -1.172 6.352 1.00 21.05 C ATOM 1816 CD2 LEU A 507 2.147 -2.906 6.890 1.00 20.44 C ATOM 1817 H LEU A 507 0.207 -2.066 10.277 1.00 0.00 H ATOM 1818 N LEU A 508 2.381 0.213 11.261 1.00 8.93 N ATOM 1819 CA LEU A 508 3.083 1.280 11.965 1.00 10.04 C ATOM 1820 C LEU A 508 3.877 0.752 13.159 1.00 10.71 C ATOM 1821 O LEU A 508 4.915 1.312 13.510 1.00 10.97 O ATOM 1822 CB LEU A 508 2.107 2.369 12.408 1.00 10.82 C ATOM 1823 CG LEU A 508 1.444 3.122 11.247 1.00 12.02 C ATOM 1824 CD1 LEU A 508 0.542 4.221 11.783 1.00 12.32 C ATOM 1825 CD2 LEU A 508 2.484 3.693 10.285 1.00 13.73 C ATOM 1826 H LEU A 508 1.346 0.132 11.330 1.00 0.00 H ATOM 1827 N LEU A 509 3.413 -0.330 13.772 1.00 9.97 N ATOM 1828 CA LEU A 509 4.157 -0.916 14.882 1.00 9.95 C ATOM 1829 C LEU A 509 5.482 -1.511 14.420 1.00 11.63 C ATOM 1830 O LEU A 509 6.424 -1.613 15.205 1.00 10.49 O ATOM 1831 CB LEU A 509 3.320 -1.976 15.596 1.00 11.13 C ATOM 1832 CG LEU A 509 2.172 -1.406 16.432 1.00 11.75 C ATOM 1833 CD1 LEU A 509 1.375 -2.533 17.037 1.00 12.85 C ATOM 1834 CD2 LEU A 509 2.691 -0.476 17.520 1.00 13.44 C ATOM 1835 H LEU A 509 2.519 -0.760 13.461 1.00 0.00 H ATOM 1836 N ILE A 510 5.570 -1.897 13.152 1.00 11.21 N ATOM 1837 CA ILE A 510 6.832 -2.428 12.655 1.00 11.02 C ATOM 1838 C ILE A 510 7.866 -1.317 12.607 1.00 10.00 C ATOM 1839 O ILE A 510 9.061 -1.573 12.751 1.00 9.40 O ATOM 1840 CB ILE A 510 6.657 -3.119 11.303 1.00 18.61 C ATOM 1841 CG1 ILE A 510 5.940 -4.430 11.560 1.00 24.63 C ATOM 1842 CG2 ILE A 510 8.003 -3.474 10.678 1.00 20.60 C ATOM 1843 CD1 ILE A 510 5.457 -5.120 10.330 1.00 27.82 C ATOM 1844 H ILE A 510 4.747 -1.821 12.521 1.00 0.00 H ATOM 1845 N LEU A 511 7.414 -0.076 12.496 1.00 10.46 N ATOM 1846 CA LEU A 511 8.357 1.029 12.532 1.00 11.66 C ATOM 1847 C LEU A 511 9.094 1.130 13.877 1.00 9.10 C ATOM 1848 O LEU A 511 10.215 1.635 13.913 1.00 10.84 O ATOM 1849 CB LEU A 511 7.658 2.343 12.210 1.00 13.65 C ATOM 1850 CG LEU A 511 7.015 2.402 10.824 1.00 13.88 C ATOM 1851 CD1 LEU A 511 6.692 3.842 10.492 1.00 14.05 C ATOM 1852 CD2 LEU A 511 7.898 1.770 9.747 1.00 18.52 C ATOM 1853 H LEU A 511 6.396 0.105 12.384 1.00 0.00 H ATOM 1854 N SER A 512 8.494 0.659 14.972 1.00 8.78 N ATOM 1855 CA SER A 512 9.151 0.576 16.281 1.00 10.55 C ATOM 1856 C SER A 512 10.348 -0.355 16.202 1.00 11.49 C ATOM 1857 O SER A 512 11.432 -0.092 16.729 1.00 8.82 O ATOM 1858 CB SER A 512 8.169 0.067 17.349 1.00 10.50 C ATOM 1859 OG SER A 512 8.818 -0.189 18.586 1.00 12.99 O ATOM 1860 HG SER A 512 8.154 -0.514 19.245 1.00 0.00 H ATOM 1861 H SER A 512 7.509 0.334 14.893 1.00 0.00 H ATOM 1862 N HIS A 513 10.113 -1.491 15.564 1.00 8.87 N ATOM 1863 CA HIS A 513 11.164 -2.474 15.368 1.00 9.23 C ATOM 1864 C HIS A 513 12.265 -1.982 14.459 1.00 10.17 C ATOM 1865 O HIS A 513 13.424 -2.293 14.675 1.00 9.69 O ATOM 1866 CB HIS A 513 10.575 -3.744 14.797 1.00 9.95 C ATOM 1867 CG HIS A 513 9.542 -4.338 15.677 1.00 24.11 C ATOM 1868 ND1 HIS A 513 9.862 -5.069 16.797 1.00 31.81 N ATOM 1869 CD2 HIS A 513 8.195 -4.247 15.655 1.00 29.75 C ATOM 1870 CE1 HIS A 513 8.752 -5.437 17.408 1.00 31.97 C ATOM 1871 NE2 HIS A 513 7.725 -4.951 16.735 1.00 28.25 N ATOM 1872 H HIS A 513 9.159 -1.683 15.197 1.00 0.00 H ATOM 1873 N ILE A 514 11.900 -1.227 13.429 1.00 8.40 N ATOM 1874 CA ILE A 514 12.910 -0.708 12.518 1.00 8.14 C ATOM 1875 C ILE A 514 13.768 0.331 13.236 1.00 8.73 C ATOM 1876 O ILE A 514 14.986 0.380 13.040 1.00 9.35 O ATOM 1877 CB ILE A 514 12.274 -0.140 11.253 1.00 9.10 C ATOM 1878 CG1 ILE A 514 11.754 -1.306 10.409 1.00 13.16 C ATOM 1879 CG2 ILE A 514 13.292 0.666 10.450 1.00 8.62 C ATOM 1880 CD1 ILE A 514 10.772 -0.915 9.353 1.00 20.74 C ATOM 1881 H ILE A 514 10.895 -1.007 13.274 1.00 0.00 H ATOM 1882 N ARG A 515 13.149 1.128 14.106 1.00 9.22 N ATOM 1883 CA ARG A 515 13.919 2.063 14.919 1.00 8.04 C ATOM 1884 C ARG A 515 14.912 1.326 15.801 1.00 10.68 C ATOM 1885 O ARG A 515 16.076 1.715 15.907 1.00 10.04 O ATOM 1886 CB ARG A 515 13.018 2.921 15.804 1.00 10.44 C ATOM 1887 CG ARG A 515 13.820 3.914 16.639 1.00 11.31 C ATOM 1888 CD ARG A 515 14.161 5.140 15.810 1.00 13.35 C ATOM 1889 NE ARG A 515 13.046 6.065 15.910 1.00 17.98 N ATOM 1890 CZ ARG A 515 13.154 7.384 15.996 1.00 17.39 C ATOM 1891 NH1 ARG A 515 14.341 7.974 15.939 1.00 19.82 N ATOM 1892 NH2 ARG A 515 12.057 8.113 16.117 1.00 21.28 N ATOM 1893 HE ARG A 515 12.088 5.661 15.915 1.00 0.00 H ATOM 1894 HH12 ARG A 515 14.411 9.009 16.008 1.00 0.00 H ATOM 1895 HH11 ARG A 515 15.202 7.401 15.826 1.00 0.00 H ATOM 1896 HH22 ARG A 515 12.126 9.148 16.186 1.00 0.00 H ATOM 1897 HH21 ARG A 515 11.126 7.651 16.144 1.00 0.00 H ATOM 1898 H ARG A 515 12.115 1.083 14.206 1.00 0.00 H ATOM 1899 N HIS A 516 14.441 0.263 16.439 1.00 8.96 N ATOM 1900 CA HIS A 516 15.276 -0.537 17.312 1.00 8.19 C ATOM 1901 C HIS A 516 16.482 -1.091 16.561 1.00 10.40 C ATOM 1902 O HIS A 516 17.619 -1.015 17.044 1.00 9.22 O ATOM 1903 CB HIS A 516 14.455 -1.671 17.919 1.00 9.79 C ATOM 1904 CG HIS A 516 15.214 -2.495 18.905 1.00 11.64 C ATOM 1905 ND1 HIS A 516 15.409 -2.102 20.212 1.00 17.72 N ATOM 1906 CD2 HIS A 516 15.855 -3.678 18.767 1.00 15.26 C ATOM 1907 CE1 HIS A 516 16.123 -3.018 20.841 1.00 20.22 C ATOM 1908 NE2 HIS A 516 16.403 -3.986 19.988 1.00 16.44 N ATOM 1909 H HIS A 516 13.444 -0.004 16.309 1.00 0.00 H ATOM 1910 N MET A 517 16.230 -1.639 15.374 1.00 9.71 N ATOM 1911 CA MET A 517 17.295 -2.211 14.554 1.00 8.61 C ATOM 1912 C MET A 517 18.303 -1.152 14.137 1.00 9.65 C ATOM 1913 O MET A 517 19.514 -1.389 14.156 1.00 8.89 O ATOM 1914 CB MET A 517 16.711 -2.904 13.324 1.00 9.35 C ATOM 1915 CG MET A 517 15.930 -4.156 13.679 1.00 9.15 C ATOM 1916 SD MET A 517 15.522 -5.183 12.255 1.00 12.63 S ATOM 1917 CE MET A 517 14.372 -4.118 11.384 1.00 13.53 C ATOM 1918 H MET A 517 15.252 -1.660 15.022 1.00 0.00 H ATOM 1919 N SER A 518 17.808 0.027 13.777 1.00 7.64 N ATOM 1920 CA SER A 518 18.700 1.118 13.408 1.00 8.91 C ATOM 1921 C SER A 518 19.593 1.529 14.578 1.00 10.10 C ATOM 1922 O SER A 518 20.789 1.769 14.406 1.00 9.70 O ATOM 1923 CB SER A 518 17.903 2.325 12.900 1.00 10.10 C ATOM 1924 OG SER A 518 18.751 3.458 12.758 1.00 12.21 O ATOM 1925 HG SER A 518 19.150 3.682 13.636 1.00 0.00 H ATOM 1926 H SER A 518 16.778 0.172 13.759 1.00 0.00 H ATOM 1927 N ASN A 519 19.022 1.615 15.772 1.00 10.33 N ATOM 1928 CA ASN A 519 19.834 1.968 16.925 1.00 8.52 C ATOM 1929 C ASN A 519 20.909 0.927 17.208 1.00 8.83 C ATOM 1930 O ASN A 519 22.044 1.277 17.517 1.00 11.32 O ATOM 1931 CB ASN A 519 18.953 2.182 18.144 1.00 13.68 C ATOM 1932 CG ASN A 519 18.178 3.471 18.053 1.00 19.66 C ATOM 1933 OD1 ASN A 519 18.656 4.453 17.476 1.00 27.02 O ATOM 1934 ND2 ASN A 519 16.975 3.480 18.602 1.00 20.37 N ATOM 1935 HD22 ASN A 519 16.614 2.628 19.078 1.00 0.00 H ATOM 1936 HD21 ASN A 519 16.390 4.339 18.558 1.00 0.00 H ATOM 1937 H ASN A 519 18.004 1.432 15.882 1.00 0.00 H ATOM 1938 N LYS A 520 20.569 -0.348 17.076 1.00 11.17 N ATOM 1939 CA LYS A 520 21.562 -1.390 17.282 1.00 12.11 C ATOM 1940 C LYS A 520 22.609 -1.361 16.174 1.00 11.18 C ATOM 1941 O LYS A 520 23.801 -1.551 16.434 1.00 11.34 O ATOM 1942 CB LYS A 520 20.898 -2.762 17.362 1.00 12.22 C ATOM 1943 CG LYS A 520 19.935 -2.889 18.536 1.00 19.24 C ATOM 1944 CD LYS A 520 20.637 -2.665 19.871 1.00 34.07 C ATOM 1945 CE LYS A 520 21.053 -3.987 20.499 1.00 48.41 C ATOM 1946 NZ LYS A 520 20.972 -3.958 21.988 1.00 55.42 N ATOM 1947 HZ1 LYS A 520 21.601 -3.215 22.354 1.00 0.00 H ATOM 1948 HZ2 LYS A 520 19.993 -3.758 22.277 1.00 0.00 H ATOM 1949 HZ3 LYS A 520 21.265 -4.881 22.368 1.00 0.00 H ATOM 1950 H LYS A 520 19.592 -0.603 16.825 1.00 0.00 H ATOM 1951 N GLY A 521 22.160 -1.118 14.946 1.00 10.50 N ATOM 1952 CA GLY A 521 23.061 -1.042 13.810 1.00 9.64 C ATOM 1953 C GLY A 521 24.013 0.132 13.923 1.00 11.96 C ATOM 1954 O GLY A 521 25.167 0.043 13.509 1.00 10.82 O ATOM 1955 H GLY A 521 21.140 -0.979 14.796 1.00 0.00 H ATOM 1956 N MET A 522 23.527 1.242 14.471 1.00 9.71 N ATOM 1957 CA MET A 522 24.343 2.438 14.614 1.00 12.44 C ATOM 1958 C MET A 522 25.448 2.194 15.632 1.00 11.71 C ATOM 1959 O MET A 522 26.601 2.583 15.425 1.00 11.97 O ATOM 1960 CB MET A 522 23.484 3.632 15.032 1.00 12.79 C ATOM 1961 CG MET A 522 24.089 4.970 14.678 1.00 15.65 C ATOM 1962 SD MET A 522 23.993 5.271 12.902 1.00 16.11 S ATOM 1963 CE MET A 522 22.219 5.452 12.708 1.00 18.66 C ATOM 1964 H MET A 522 22.542 1.255 14.805 1.00 0.00 H ATOM 1965 N GLU A 523 25.105 1.546 16.726 1.00 30.00 N ATOM 1966 CA GLU A 523 26.095 1.192 17.714 1.00 30.00 C ATOM 1967 C GLU A 523 27.106 0.221 17.163 1.00 30.00 C ATOM 1968 O GLU A 523 28.247 0.328 17.470 1.00 30.00 O ATOM 1969 CB GLU A 523 25.450 0.595 18.954 1.00 20.00 C ATOM 1970 CG GLU A 523 24.756 1.623 19.830 1.00 20.00 C ATOM 1971 CD GLU A 523 25.663 2.384 20.824 1.00 20.00 C ATOM 1972 OE1 GLU A 523 26.894 2.252 20.813 1.00 20.00 O ATOM 1973 OE2 GLU A 523 25.105 3.113 21.640 1.00 20.00 O ATOM 1974 H GLU A 523 24.110 1.287 16.879 1.00 0.00 H ATOM 1975 N HIS A 524 26.649 -0.712 16.352 1.00 12.57 N ATOM 1976 CA HIS A 524 27.555 -1.661 15.725 1.00 11.42 C ATOM 1977 C HIS A 524 28.536 -0.961 14.791 1.00 11.56 C ATOM 1978 O HIS A 524 29.749 -1.189 14.864 1.00 10.49 O ATOM 1979 CB HIS A 524 26.796 -2.733 14.951 1.00 13.06 C ATOM 1980 CG HIS A 524 27.698 -3.752 14.338 1.00 12.08 C ATOM 1981 ND1 HIS A 524 28.215 -3.621 13.068 1.00 12.61 N ATOM 1982 CD2 HIS A 524 28.227 -4.889 14.847 1.00 15.27 C ATOM 1983 CE1 HIS A 524 29.003 -4.650 12.810 1.00 13.55 C ATOM 1984 NE2 HIS A 524 29.027 -5.434 13.873 1.00 16.80 N ATOM 1985 H HIS A 524 25.629 -0.770 16.158 1.00 0.00 H ATOM 1986 N LEU A 525 28.009 -0.107 13.916 1.00 11.39 N ATOM 1987 CA LEU A 525 28.852 0.629 12.976 1.00 11.78 C ATOM 1988 C LEU A 525 29.883 1.471 13.716 1.00 13.28 C ATOM 1989 O LEU A 525 31.048 1.532 13.321 1.00 10.77 O ATOM 1990 CB LEU A 525 28.005 1.522 12.071 1.00 10.14 C ATOM 1991 CG LEU A 525 28.791 2.288 11.004 1.00 11.74 C ATOM 1992 CD1 LEU A 525 29.579 1.316 10.130 1.00 11.81 C ATOM 1993 CD2 LEU A 525 27.860 3.153 10.162 1.00 13.08 C ATOM 1994 H LEU A 525 26.979 0.039 13.901 1.00 0.00 H ATOM 1995 N TYR A 526 29.451 2.110 14.796 1.00 11.27 N ATOM 1996 CA TYR A 526 30.349 2.916 15.610 1.00 11.76 C ATOM 1997 C TYR A 526 31.489 2.064 16.174 1.00 12.14 C ATOM 1998 O TYR A 526 32.644 2.496 16.190 1.00 14.07 O ATOM 1999 CB TYR A 526 29.562 3.595 16.730 1.00 12.81 C ATOM 2000 CG TYR A 526 30.353 4.571 17.556 1.00 17.73 C ATOM 2001 CD1 TYR A 526 30.725 5.806 17.044 1.00 18.65 C ATOM 2002 CD2 TYR A 526 30.707 4.267 18.859 1.00 23.13 C ATOM 2003 CE1 TYR A 526 31.444 6.705 17.809 1.00 23.43 C ATOM 2004 CE2 TYR A 526 31.422 5.158 19.630 1.00 27.64 C ATOM 2005 CZ TYR A 526 31.787 6.374 19.100 1.00 28.39 C ATOM 2006 OH TYR A 526 32.502 7.264 19.869 1.00 35.97 O ATOM 2007 HH TYR A 526 32.682 8.083 19.342 1.00 0.00 H ATOM 2008 H TYR A 526 28.450 2.033 15.066 1.00 0.00 H ATOM 2009 N SER A 527 31.173 0.850 16.615 1.00 12.90 N ATOM 2010 CA SER A 527 32.200 -0.027 17.168 1.00 14.56 C ATOM 2011 C SER A 527 33.195 -0.453 16.084 1.00 14.10 C ATOM 2012 O SER A 527 34.395 -0.557 16.347 1.00 14.97 O ATOM 2013 CB SER A 527 31.572 -1.254 17.847 1.00 15.34 C ATOM 2014 OG SER A 527 30.951 -2.128 16.921 1.00 16.39 O ATOM 2015 HG SER A 527 30.233 -1.643 16.442 1.00 0.00 H ATOM 2016 H SER A 527 30.187 0.523 16.565 1.00 0.00 H ATOM 2017 N MET A 528 32.702 -0.680 14.869 1.00 12.51 N ATOM 2018 CA MET A 528 33.572 -1.022 13.745 1.00 13.68 C ATOM 2019 C MET A 528 34.518 0.127 13.419 1.00 13.47 C ATOM 2020 O MET A 528 35.717 -0.073 13.201 1.00 14.18 O ATOM 2021 CB MET A 528 32.744 -1.376 12.511 1.00 13.79 C ATOM 2022 CG MET A 528 31.894 -2.629 12.668 1.00 15.55 C ATOM 2023 SD MET A 528 32.886 -4.123 12.880 1.00 20.36 S ATOM 2024 CE MET A 528 32.777 -4.412 14.636 1.00 25.91 C ATOM 2025 H MET A 528 31.676 -0.613 14.716 1.00 0.00 H ATOM 2026 N LYS A 529 33.973 1.335 13.377 1.00 11.97 N ATOM 2027 CA LYS A 529 34.791 2.527 13.165 1.00 13.97 C ATOM 2028 C LYS A 529 35.918 2.629 14.189 1.00 18.58 C ATOM 2029 O LYS A 529 37.105 2.817 13.845 1.00 15.79 O ATOM 2030 CB LYS A 529 33.920 3.781 13.243 1.00 16.48 C ATOM 2031 CG LYS A 529 34.695 5.082 13.176 1.00 18.94 C ATOM 2032 CD LYS A 529 33.787 6.231 13.505 1.00 21.97 C ATOM 2033 CE LYS A 529 34.575 7.483 13.684 1.00 34.32 C ATOM 2034 NZ LYS A 529 34.150 8.017 14.966 1.00 40.61 N ATOM 2035 HZ1 LYS A 529 33.128 8.207 14.939 1.00 0.00 H ATOM 2036 HZ2 LYS A 529 34.355 7.324 15.714 1.00 0.00 H ATOM 2037 HZ3 LYS A 529 34.664 8.900 15.160 1.00 0.00 H ATOM 2038 H LYS A 529 32.945 1.436 13.497 1.00 0.00 H TER 2039 LYS A 529 ATOM 2040 N LYS A 531 37.207 0.583 16.142 1.00 13.97 N ATOM 2041 CA LYS A 531 38.192 -0.499 16.110 1.00 16.81 C ATOM 2042 C LYS A 531 39.024 -0.486 14.828 1.00 15.74 C ATOM 2043 O LYS A 531 39.822 -1.391 14.590 1.00 14.69 O ATOM 2044 CB LYS A 531 37.502 -1.858 16.260 1.00 15.31 C ATOM 2045 CG LYS A 531 36.995 -2.101 17.663 1.00 22.04 C ATOM 2046 CD LYS A 531 36.260 -3.412 17.779 1.00 28.83 C ATOM 2047 CE LYS A 531 35.547 -3.498 19.110 1.00 42.98 C ATOM 2048 NZ LYS A 531 34.822 -4.788 19.227 1.00 51.97 N ATOM 2049 HZ1 LYS A 531 34.122 -4.861 18.462 1.00 0.00 H ATOM 2050 HZ2 LYS A 531 35.500 -5.573 19.154 1.00 0.00 H ATOM 2051 HZ3 LYS A 531 34.338 -4.830 20.147 1.00 0.00 H ATOM 2052 HN3 LYS A 531 36.559 0.484 15.335 1.00 0.00 H ATOM 2053 HN2 LYS A 531 37.697 1.498 16.084 1.00 0.00 H ATOM 2054 HN1 LYS A 531 36.668 0.533 17.030 1.00 0.00 H ATOM 2055 N ASN A 532 38.838 0.545 14.010 1.00 14.83 N ATOM 2056 CA ASN A 532 39.547 0.662 12.733 1.00 14.06 C ATOM 2057 C ASN A 532 39.382 -0.575 11.847 1.00 18.36 C ATOM 2058 O ASN A 532 40.306 -0.971 11.137 1.00 15.43 O ATOM 2059 CB ASN A 532 41.040 0.947 12.967 1.00 15.00 C ATOM 2060 CG ASN A 532 41.297 2.384 13.398 1.00 15.54 C ATOM 2061 OD1 ASN A 532 40.630 2.906 14.292 1.00 15.55 O ATOM 2062 ND2 ASN A 532 42.243 3.038 12.742 1.00 16.13 N ATOM 2063 HD22 ASN A 532 42.783 2.559 11.993 1.00 0.00 H ATOM 2064 HD21 ASN A 532 42.446 4.031 12.975 1.00 0.00 H ATOM 2065 H ASN A 532 38.168 1.292 14.285 1.00 0.00 H ATOM 2066 N VAL A 533 38.198 -1.179 11.891 1.00 15.42 N ATOM 2067 CA VAL A 533 37.887 -2.321 11.037 1.00 13.05 C ATOM 2068 C VAL A 533 37.747 -1.888 9.578 1.00 14.89 C ATOM 2069 O VAL A 533 38.222 -2.572 8.674 1.00 15.20 O ATOM 2070 CB VAL A 533 36.591 -3.019 11.490 1.00 14.38 C ATOM 2071 CG1 VAL A 533 36.182 -4.105 10.497 1.00 17.29 C ATOM 2072 CG2 VAL A 533 36.766 -3.591 12.887 1.00 18.34 C ATOM 2073 H VAL A 533 37.475 -0.828 12.551 1.00 0.00 H ATOM 2074 N VAL A 534 37.089 -0.753 9.365 1.00 17.13 N ATOM 2075 CA VAL A 534 36.855 -0.199 8.033 1.00 20.88 C ATOM 2076 C VAL A 534 36.973 1.297 8.024 1.00 17.76 C ATOM 2077 O VAL A 534 36.527 1.952 8.954 1.00 15.47 O ATOM 2078 CB VAL A 534 35.443 -0.476 7.498 1.00 26.99 C ATOM 2079 CG1 VAL A 534 35.396 -1.750 6.694 1.00 34.66 C ATOM 2080 CG2 VAL A 534 34.437 -0.451 8.635 1.00 21.20 C ATOM 2081 H VAL A 534 36.722 -0.233 10.188 1.00 0.00 H ATOM 2082 N PRO A 535 37.520 1.840 6.939 1.00 21.54 N ATOM 2083 CA PRO A 535 37.487 3.273 6.679 1.00 21.87 C ATOM 2084 C PRO A 535 36.089 3.659 6.233 1.00 22.49 C ATOM 2085 O PRO A 535 35.487 2.953 5.426 1.00 25.28 O ATOM 2086 CB PRO A 535 38.515 3.459 5.560 1.00 29.91 C ATOM 2087 CG PRO A 535 38.780 2.079 5.008 1.00 30.89 C ATOM 2088 CD PRO A 535 38.032 1.067 5.799 1.00 24.89 C ATOM 2089 N LEU A 536 35.562 4.740 6.787 1.00 19.08 N ATOM 2090 CA LEU A 536 34.241 5.207 6.410 1.00 16.15 C ATOM 2091 C LEU A 536 34.357 6.493 5.605 1.00 16.33 C ATOM 2092 O LEU A 536 35.244 7.313 5.853 1.00 20.53 O ATOM 2093 CB LEU A 536 33.378 5.425 7.649 1.00 17.30 C ATOM 2094 CG LEU A 536 33.084 4.180 8.487 1.00 18.01 C ATOM 2095 CD1 LEU A 536 32.253 4.566 9.698 1.00 21.33 C ATOM 2096 CD2 LEU A 536 32.374 3.117 7.656 1.00 19.68 C ATOM 2097 H LEU A 536 36.104 5.263 7.504 1.00 0.00 H ATOM 2098 N SER A 537 33.467 6.658 4.632 1.00 16.36 N ATOM 2099 CA SER A 537 33.399 7.888 3.849 1.00 17.00 C ATOM 2100 C SER A 537 33.081 9.078 4.746 1.00 16.19 C ATOM 2101 O SER A 537 32.589 8.901 5.859 1.00 16.54 O ATOM 2102 CB SER A 537 32.335 7.769 2.763 1.00 19.63 C ATOM 2103 OG SER A 537 31.049 7.701 3.356 1.00 19.50 O ATOM 2104 HG SER A 537 30.363 7.624 2.646 1.00 0.00 H ATOM 2105 H SER A 537 32.800 5.888 4.422 1.00 0.00 H ATOM 2106 N ASP A 538 33.356 10.289 4.268 1.00 16.91 N ATOM 2107 CA ASP A 538 33.020 11.482 5.039 1.00 17.33 C ATOM 2108 C ASP A 538 31.531 11.515 5.355 1.00 16.16 C ATOM 2109 O ASP A 538 31.127 11.879 6.458 1.00 17.09 O ATOM 2110 CB ASP A 538 33.415 12.753 4.292 1.00 17.79 C ATOM 2111 CG ASP A 538 34.906 13.011 4.325 1.00 27.69 C ATOM 2112 OD1 ASP A 538 35.626 12.284 5.042 1.00 28.22 O ATOM 2113 OD2 ASP A 538 35.357 13.950 3.639 1.00 30.82 O ATOM 2114 H ASP A 538 33.813 10.386 3.339 1.00 0.00 H ATOM 2115 N LEU A 539 30.716 11.134 4.378 1.00 17.02 N ATOM 2116 CA LEU A 539 29.271 11.122 4.552 1.00 18.43 C ATOM 2117 C LEU A 539 28.868 10.179 5.690 1.00 18.04 C ATOM 2118 O LEU A 539 28.144 10.576 6.601 1.00 19.09 O ATOM 2119 CB LEU A 539 28.585 10.724 3.241 1.00 18.70 C ATOM 2120 CG LEU A 539 27.061 10.588 3.235 1.00 23.56 C ATOM 2121 CD1 LEU A 539 26.402 11.886 3.654 1.00 21.27 C ATOM 2122 CD2 LEU A 539 26.582 10.169 1.853 1.00 27.20 C ATOM 2123 H LEU A 539 31.120 10.837 3.467 1.00 0.00 H ATOM 2124 N LEU A 540 29.349 8.940 5.656 1.00 16.23 N ATOM 2125 CA LEU A 540 28.999 7.992 6.714 1.00 14.86 C ATOM 2126 C LEU A 540 29.547 8.428 8.068 1.00 15.54 C ATOM 2127 O LEU A 540 28.876 8.281 9.090 1.00 17.63 O ATOM 2128 CB LEU A 540 29.508 6.590 6.387 1.00 17.21 C ATOM 2129 CG LEU A 540 28.612 5.680 5.556 1.00 19.56 C ATOM 2130 CD1 LEU A 540 29.293 4.340 5.352 1.00 19.89 C ATOM 2131 CD2 LEU A 540 27.286 5.485 6.256 1.00 17.65 C ATOM 2132 H LEU A 540 29.973 8.645 4.878 1.00 0.00 H ATOM 2133 N LEU A 541 30.764 8.959 8.078 1.00 15.51 N ATOM 2134 CA LEU A 541 31.336 9.481 9.312 1.00 15.65 C ATOM 2135 C LEU A 541 30.419 10.539 9.919 1.00 22.48 C ATOM 2136 O LEU A 541 30.176 10.546 11.126 1.00 19.96 O ATOM 2137 CB LEU A 541 32.732 10.063 9.063 1.00 17.39 C ATOM 2138 CG LEU A 541 33.835 9.009 8.928 1.00 22.18 C ATOM 2139 CD1 LEU A 541 35.159 9.621 8.508 1.00 21.15 C ATOM 2140 CD2 LEU A 541 33.983 8.252 10.240 1.00 23.40 C ATOM 2141 H LEU A 541 31.314 9.003 7.196 1.00 0.00 H ATOM 2142 N GLU A 542 29.891 11.423 9.082 1.00 17.88 N ATOM 2143 CA GLU A 542 29.077 12.509 9.602 1.00 17.22 C ATOM 2144 C GLU A 542 27.667 12.034 9.939 1.00 17.08 C ATOM 2145 O GLU A 542 27.057 12.531 10.886 1.00 19.18 O ATOM 2146 CB GLU A 542 29.071 13.683 8.618 1.00 18.03 C ATOM 2147 CG GLU A 542 30.434 14.390 8.605 1.00 21.25 C ATOM 2148 CD GLU A 542 30.507 15.619 7.715 1.00 27.87 C ATOM 2149 OE1 GLU A 542 29.468 16.275 7.488 1.00 24.96 O ATOM 2150 OE2 GLU A 542 31.625 15.935 7.249 1.00 31.72 O ATOM 2151 H GLU A 542 30.059 11.339 8.059 1.00 0.00 H ATOM 2152 N MET A 543 27.156 11.054 9.197 1.00 17.11 N ATOM 2153 CA MET A 543 25.851 10.479 9.531 1.00 19.15 C ATOM 2154 C MET A 543 25.930 9.781 10.858 1.00 24.74 C ATOM 2155 O MET A 543 25.051 9.905 11.709 1.00 22.86 O ATOM 2156 CB MET A 543 25.393 9.467 8.489 1.00 18.07 C ATOM 2157 CG MET A 543 25.036 10.052 7.164 1.00 18.34 C ATOM 2158 SD MET A 543 23.765 11.320 7.318 1.00 28.69 S ATOM 2159 CE MET A 543 22.544 10.722 6.152 1.00 19.23 C ATOM 2160 H MET A 543 27.686 10.695 8.377 1.00 0.00 H ATOM 2161 N LEU A 544 26.993 9.010 11.006 1.00 23.61 N ATOM 2162 CA LEU A 544 27.215 8.260 12.218 1.00 24.79 C ATOM 2163 C LEU A 544 27.409 9.221 13.396 1.00 25.19 C ATOM 2164 O LEU A 544 26.860 9.007 14.477 1.00 24.28 O ATOM 2165 CB LEU A 544 28.414 7.337 12.020 1.00 23.35 C ATOM 2166 CG LEU A 544 28.844 6.418 13.151 1.00 22.30 C ATOM 2167 CD1 LEU A 544 27.694 5.530 13.568 1.00 18.88 C ATOM 2168 CD2 LEU A 544 30.029 5.592 12.682 1.00 20.56 C ATOM 2169 H LEU A 544 27.684 8.943 10.232 1.00 0.00 H ATOM 2170 N ASP A 545 28.160 10.293 13.162 1.00 25.12 N ATOM 2171 CA ASP A 545 28.421 11.342 14.145 1.00 26.97 C ATOM 2172 C ASP A 545 27.190 12.034 14.679 1.00 27.32 C ATOM 2173 O ASP A 545 27.177 12.516 15.806 1.00 26.09 O ATOM 2174 CB ASP A 545 29.292 12.419 13.526 1.00 36.81 C ATOM 2175 CG ASP A 545 30.378 12.875 14.443 1.00 48.43 C ATOM 2176 OD1 ASP A 545 31.446 12.243 14.398 1.00 50.70 O ATOM 2177 OD2 ASP A 545 30.185 13.862 15.182 1.00 53.50 O ATOM 2178 H ASP A 545 28.589 10.391 12.220 1.00 0.00 H ATOM 2179 N ALA A 546 26.182 12.150 13.829 1.00 21.66 N ATOM 2180 CA ALA A 546 24.950 12.814 14.212 1.00 23.04 C ATOM 2181 C ALA A 546 24.274 12.089 15.368 1.00 21.96 C ATOM 2182 O ALA A 546 23.423 12.654 16.055 1.00 23.74 O ATOM 2183 CB ALA A 546 24.012 12.903 13.025 1.00 21.14 C ATOM 2184 H ALA A 546 26.275 11.758 12.870 1.00 0.00 H ATOM 2185 N HIS A 547 24.654 10.833 15.574 1.00 22.86 N ATOM 2186 CA HIS A 547 24.009 9.997 16.578 1.00 19.34 C ATOM 2187 C HIS A 547 24.807 9.900 17.867 1.00 25.89 C ATOM 2188 O HIS A 547 24.228 9.694 18.931 1.00 27.66 O ATOM 2189 CB HIS A 547 23.759 8.605 16.008 1.00 17.91 C ATOM 2190 CG HIS A 547 22.614 8.564 15.053 1.00 18.88 C ATOM 2191 ND1 HIS A 547 21.366 8.102 15.410 1.00 18.83 N ATOM 2192 CD2 HIS A 547 22.510 8.982 13.769 1.00 20.32 C ATOM 2193 CE1 HIS A 547 20.549 8.212 14.378 1.00 19.09 C ATOM 2194 NE2 HIS A 547 21.218 8.746 13.371 1.00 17.00 N ATOM 2195 H HIS A 547 25.430 10.437 15.006 1.00 0.00 H TER 2196 HIS A 547 HETATM 2197 O HOH 1 33.603 9.321 16.662 1.00 57.36 O HETATM 2198 O HOH 2 -3.096 4.600 -6.026 1.00 45.96 O HETATM 2199 O HOH 3 20.967 15.478 13.416 1.00 30.16 O HETATM 2200 O HOH 4 38.474 -7.288 11.741 1.00 26.71 O HETATM 2201 O HOH 5 18.259 16.239 -6.275 1.00 25.26 O HETATM 2202 O HOH 6 -9.514 7.826 -1.218 1.00 46.02 O HETATM 2203 O HOH 7 27.189 15.717 6.650 1.00 21.59 O HETATM 2204 O HOH 8 38.892 -14.511 5.578 1.00 34.87 O HETATM 2205 O HOH 9 -7.228 9.071 7.620 1.00 21.59 O HETATM 2206 O HOH 10 31.721 1.694 -5.047 1.00 39.94 O HETATM 2207 O HOH 11 19.081 14.143 13.391 1.00 39.48 O HETATM 2208 O HOH 12 -3.097 25.017 8.022 1.00 57.77 O HETATM 2209 O HOH 13 10.703 4.397 13.227 1.00 14.75 O HETATM 2210 O HOH 14 40.226 -9.290 4.053 1.00 31.79 O HETATM 2211 O HOH 15 -1.769 10.620 10.818 1.00 13.51 O HETATM 2212 O HOH 16 29.283 7.462 -3.275 1.00 27.97 O HETATM 2213 O HOH 17 -5.124 14.843 5.075 1.00 30.43 O HETATM 2214 O HOH 18 4.445 -7.799 -1.937 1.00 35.42 O HETATM 2215 O HOH 19 16.319 6.877 14.006 1.00 15.54 O HETATM 2216 O HOH 20 8.966 6.349 0.103 1.00 20.26 O HETATM 2217 O HOH 21 11.806 23.724 8.123 1.00 21.98 O HETATM 2218 O HOH 22 24.674 -3.076 18.390 1.00 24.70 O HETATM 2219 O HOH 23 23.802 -16.671 0.948 1.00 28.78 O HETATM 2220 O HOH 24 15.448 -14.142 12.737 1.00 23.69 O HETATM 2221 O HOH 25 33.542 1.844 3.357 1.00 31.67 O HETATM 2222 O HOH 26 41.508 -12.689 -5.916 1.00 41.05 O HETATM 2223 O HOH 27 9.424 6.308 -2.652 1.00 15.12 O HETATM 2224 O HOH 28 18.639 2.139 -1.671 1.00 20.47 O HETATM 2225 O HOH 29 12.314 17.850 -5.522 1.00 30.41 O HETATM 2226 O HOH 30 28.141 -12.038 14.329 1.00 18.01 O HETATM 2227 O HOH 31 25.213 -6.353 17.865 1.00 32.40 O HETATM 2228 O HOH 32 33.348 -14.848 -0.752 1.00 20.15 O HETATM 2229 O HOH 33 9.933 14.445 -8.297 1.00 43.85 O HETATM 2230 O HOH 34 -4.193 16.947 9.008 1.00 28.10 O HETATM 2231 O HOH 35 13.538 1.105 -4.586 1.00 35.01 O HETATM 2232 O HOH 36 15.411 -18.308 0.258 1.00 37.12 O HETATM 2233 O HOH 37 29.144 0.971 19.908 1.00 24.07 O HETATM 2234 O HOH 38 19.632 -17.141 7.604 1.00 21.15 O HETATM 2235 O HOH 39 7.758 14.234 -5.987 1.00 34.21 O HETATM 2236 O HOH 40 14.578 9.596 -6.441 1.00 21.31 O HETATM 2237 O HOH 41 -13.488 -7.176 9.705 1.00 28.36 O HETATM 2238 O HOH 42 18.525 5.188 14.810 1.00 17.37 O HETATM 2239 O HOH 43 18.553 5.808 11.141 1.00 9.44 O HETATM 2240 O HOH 44 30.675 -14.590 15.035 1.00 42.34 O HETATM 2241 O HOH 45 -11.411 -8.690 3.613 1.00 31.55 O HETATM 2242 O HOH 46 20.910 -3.166 -3.402 1.00 18.73 O HETATM 2243 O HOH 47 18.453 -0.039 1.234 1.00 11.62 O HETATM 2244 O HOH 48 10.021 17.432 -1.580 1.00 19.73 O HETATM 2245 O HOH 49 17.071 21.374 12.612 1.00 34.11 O HETATM 2246 O HOH 50 23.509 -13.447 -6.237 1.00 34.74 O HETATM 2247 O HOH 51 32.730 -12.940 14.248 1.00 39.55 O HETATM 2248 O HOH 52 26.623 15.148 11.466 1.00 26.03 O HETATM 2249 O HOH 53 19.063 -3.513 -9.953 1.00 32.31 O HETATM 2250 O HOH 54 17.342 20.249 -0.824 1.00 17.20 O HETATM 2251 O HOH 55 1.420 8.913 9.034 1.00 16.72 O HETATM 2252 O HOH 56 36.623 -10.805 0.782 1.00 28.84 O HETATM 2253 O HOH 57 40.922 1.803 16.877 1.00 18.36 O HETATM 2254 O HOH 58 19.988 -13.463 17.576 1.00 35.12 O HETATM 2255 O HOH 59 15.764 14.887 -6.315 1.00 20.29 O HETATM 2256 O HOH 60 15.093 24.873 1.986 1.00 21.22 O HETATM 2257 O HOH 61 -6.564 13.069 2.112 1.00 33.70 O HETATM 2258 O HOH 62 11.962 4.600 -9.740 1.00 37.03 O HETATM 2259 O HOH 63 -11.654 1.676 10.943 1.00 13.96 O HETATM 2260 O HOH 64 22.488 -20.672 11.590 1.00 32.32 O HETATM 2261 O HOH 65 25.387 14.297 8.078 1.00 23.33 O HETATM 2262 O HOH 66 30.078 -16.507 -1.100 1.00 28.99 O HETATM 2263 O HOH 67 21.172 5.935 17.082 1.00 26.61 O HETATM 2264 O HOH 68 36.541 9.663 5.279 1.00 28.13 O HETATM 2265 O HOH 69 -11.919 3.977 4.785 1.00 31.61 O HETATM 2266 O HOH 70 16.182 25.612 10.343 1.00 31.89 O HETATM 2267 O HOH 71 17.919 7.677 -7.712 1.00 32.37 O HETATM 2268 O HOH 72 -4.678 -0.969 -3.181 1.00 29.92 O HETATM 2269 O HOH 73 29.645 -2.826 -2.000 1.00 14.71 O HETATM 2270 O HOH 74 5.972 11.884 -10.185 1.00 41.83 O HETATM 2271 O HOH 75 3.437 11.101 -10.260 1.00 44.17 O HETATM 2272 O HOH 76 35.713 -3.044 -2.750 1.00 39.76 O HETATM 2273 O HOH 77 13.727 11.610 10.353 1.00 11.11 O HETATM 2274 O HOH 78 3.208 -5.556 13.391 1.00 23.40 O HETATM 2275 O HOH 79 29.974 -10.021 -7.608 1.00 26.21 O HETATM 2276 O HOH 80 34.075 -0.894 19.989 1.00 36.13 O HETATM 2277 O HOH 81 -8.262 7.642 3.565 1.00 28.59 O HETATM 2278 O HOH 82 -12.780 -2.121 1.046 1.00 28.13 O HETATM 2279 O HOH 83 9.644 6.821 12.257 1.00 16.12 O HETATM 2280 O HOH 84 15.415 6.367 -9.240 1.00 36.04 O HETATM 2281 O HOH 85 16.603 -1.213 -9.713 1.00 34.42 O HETATM 2282 O HOH 86 14.395 -12.517 4.223 1.00 18.99 O HETATM 2283 O HOH 87 15.008 23.529 -0.061 1.00 27.73 O HETATM 2284 O HOH 88 28.162 8.742 16.929 1.00 38.21 O HETATM 2285 O HOH 89 35.466 -5.128 0.909 1.00 18.76 O HETATM 2286 O HOH 90 14.593 5.565 -0.480 1.00 17.02 O HETATM 2287 O HOH 91 18.770 4.853 -1.752 1.00 15.35 O HETATM 2288 O HOH 92 18.052 21.001 -5.795 1.00 34.89 O HETATM 2289 O HOH 93 -3.379 -3.138 1.134 1.00 27.95 O HETATM 2290 O HOH 94 16.632 -17.010 -2.424 1.00 41.58 O HETATM 2291 O HOH 95 35.595 -5.852 -3.490 1.00 33.80 O HETATM 2292 O HOH 96 8.512 2.165 -8.114 1.00 28.48 O HETATM 2293 O HOH 97 21.785 -21.236 0.873 1.00 45.55 O HETATM 2294 O HOH 98 14.310 1.372 -0.458 1.00 14.05 O HETATM 2295 O HOH 99 7.934 11.802 -7.642 1.00 35.46 O HETATM 2296 O HOH 100 1.770 12.806 -8.233 1.00 38.74 O HETATM 2297 O HOH 101 19.896 -0.782 -3.183 1.00 14.68 O HETATM 2298 O HOH 102 17.410 0.382 -3.362 1.00 20.93 O HETATM 2299 O HOH 103 -7.173 9.245 -4.907 1.00 33.49 O HETATM 2300 O HOH 104 17.367 -15.834 11.840 1.00 28.06 O HETATM 2301 O HOH 105 22.515 -19.615 7.376 1.00 37.93 O HETATM 2302 O HOH 106 18.829 -10.887 17.467 1.00 29.58 O HETATM 2303 O HOH 107 -3.186 16.597 6.114 1.00 28.12 O HETATM 2304 O HOH 108 40.695 -3.844 9.264 1.00 14.48 O HETATM 2305 O HOH 109 -1.986 7.691 -10.893 1.00 46.38 O HETATM 2306 O HOH 110 35.963 -6.626 15.579 1.00 33.09 O HETATM 2307 O HOH 111 12.686 12.940 16.885 1.00 25.50 O HETATM 2308 O HOH 112 39.286 5.353 13.724 1.00 22.74 O HETATM 2309 O HOH 113 16.409 2.063 1.246 1.00 12.64 O HETATM 2310 O HOH 114 22.457 4.151 21.405 1.00 37.06 O HETATM 2311 O HOH 115 25.072 5.333 -8.013 1.00 15.77 O HETATM 2312 O HOH 116 34.988 -11.800 -0.765 1.00 28.72 O HETATM 2313 O HOH 117 -10.952 -7.920 11.458 1.00 35.53 O HETATM 2314 O HOH 118 19.867 -11.943 -7.157 1.00 36.38 O HETATM 2315 O HOH 119 30.839 3.859 -1.829 1.00 19.40 O HETATM 2316 O HOH 120 31.849 9.550 13.234 1.00 30.65 O HETATM 2317 O HOH 121 -1.365 5.526 -8.057 1.00 41.99 O HETATM 2318 O HOH 122 -16.275 -2.479 5.940 1.00 20.53 O HETATM 2319 O HOH 123 32.413 4.300 3.361 1.00 23.91 O HETATM 2320 O HOH 124 -9.910 3.335 -1.905 1.00 35.34 O HETATM 2321 O HOH 125 25.567 -13.501 -2.804 1.00 27.61 O HETATM 2322 O HOH 126 -6.213 -6.280 8.527 1.00 19.75 O HETATM 2323 O HOH 127 42.460 -2.200 15.481 1.00 21.67 O HETATM 2324 O HOH 128 22.502 -10.105 -10.791 1.00 43.46 O HETATM 2325 O HOH 129 25.709 6.474 -5.688 1.00 15.13 O HETATM 2326 O HOH 130 33.857 14.121 7.710 1.00 38.59 O HETATM 2327 O HOH 131 9.599 -7.358 -2.318 1.00 32.05 O HETATM 2328 O HOH 132 11.378 -9.459 -2.276 1.00 32.95 O HETATM 2329 O HOH 133 22.806 21.703 8.454 1.00 17.76 O HETATM 2330 O HOH 134 26.904 -13.248 -5.814 1.00 38.18 O HETATM 2331 O HOH 135 -14.018 1.242 3.382 1.00 28.68 O HETATM 2332 O HOH 136 37.810 -12.059 9.745 1.00 23.02 O HETATM 2333 O HOH 137 3.674 -5.369 -4.212 1.00 31.70 O HETATM 2334 O HOH 138 20.501 9.358 17.935 1.00 29.73 O HETATM 2335 O HOH 139 39.890 -12.690 2.443 1.00 41.37 O HETATM 2336 O HOH 140 39.056 -8.751 9.256 1.00 20.61 O HETATM 2337 O HOH 141 34.801 10.589 1.694 1.00 25.82 O HETATM 2338 O HOH 142 18.154 -6.327 20.511 1.00 29.80 O HETATM 2339 O HOH 143 22.210 4.097 18.464 1.00 32.07 O HETATM 2340 O HOH 144 3.288 -12.777 11.465 1.00 35.95 O HETATM 2341 O HOH 145 -3.453 -7.029 7.810 1.00 21.58 O HETATM 2342 O HOH 146 22.747 15.505 15.453 1.00 39.00 O HETATM 2343 O HOH 147 35.601 -13.001 11.046 1.00 36.31 O HETATM 2344 O HOH 148 30.316 -17.050 2.286 1.00 23.53 O HETATM 2345 O HOH 149 15.199 -1.344 -2.046 1.00 24.65 O HETATM 2346 O HOH 150 23.594 -21.403 5.736 1.00 36.66 O HETATM 2347 O HOH 151 0.907 13.810 12.088 1.00 28.54 O HETATM 2348 O HOH 152 26.495 -14.970 -0.954 1.00 31.59 O HETATM 2349 O HOH 153 26.129 2.349 -7.929 1.00 7.42 O HETATM 2350 O HOH 154 19.720 3.292 -4.161 1.00 26.42 O HETATM 2351 O HOH 155 31.665 11.186 1.472 1.00 22.13 O HETATM 2352 O HOH 156 14.109 -10.421 -5.633 1.00 40.83 O HETATM 2353 O HOH 157 38.571 3.759 20.003 1.00 27.38 O HETATM 2354 O HOH 158 -7.775 11.258 -2.027 1.00 39.07 O HETATM 2355 O HOH 159 34.177 -9.075 -1.371 1.00 29.94 O HETATM 2356 O HOH 160 -10.418 -10.021 9.877 1.00 38.61 O HETATM 2357 O HOH 161 13.385 -14.155 6.152 1.00 22.62 O HETATM 2358 O HOH 162 7.267 -8.350 -2.848 1.00 35.93 O HETATM 2359 O HOH 163 34.429 -2.726 -0.534 1.00 30.04 O HETATM 2360 O HOH 164 28.303 -8.862 -10.015 1.00 35.00 O HETATM 2361 O HOH 165 7.892 18.751 -2.422 1.00 33.30 O HETATM 2362 O HOH 166 -2.179 -9.508 7.251 1.00 37.33 O HETATM 2363 O HOH 167 30.910 8.795 15.751 1.00 40.47 O HETATM 2364 O HOH 168 36.279 10.688 15.406 1.00 40.11 O HETATM 2365 O HOH 169 21.272 0.928 20.987 1.00 34.41 O HETATM 2366 O HOH 170 32.627 4.431 0.090 1.00 29.96 O HETATM 2367 O HOH 171 29.021 -3.068 -9.272 1.00 24.07 O HETATM 2368 O HOH 172 29.162 8.237 21.050 1.00 38.91 O HETATM 2369 O HOH 173 -13.800 -10.274 5.444 1.00 36.15 O HETATM 2370 O HOH 174 -1.264 -3.846 15.956 1.00 24.16 O HETATM 2371 O HOH 175 0.441 -5.914 15.207 1.00 23.92 O HETATM 2372 O HOH 176 -5.671 -2.678 -4.775 1.00 40.17 O HETATM 2373 O HOH 177 13.507 -2.283 -3.681 1.00 34.25 O HETATM 2374 O HOH 178 -6.959 -8.388 6.571 1.00 38.19 O HETATM 2375 O HOH 179 27.915 -16.928 -1.804 1.00 43.78 O HETATM 2376 O HOH 180 14.599 -13.843 15.551 1.00 37.17 O HETATM 2377 O HOH 181 -2.110 -1.868 -1.401 1.00 35.33 O HETATM 2378 O HOH 182 42.506 -16.849 2.197 1.00 45.63 O HETATM 2379 O HOH 183 37.437 -3.571 2.128 1.00 40.63 O HETATM 2380 O HOH 184 -10.565 5.403 2.475 1.00 38.10 O HETATM 2381 O HOH 185 -15.764 -0.853 3.695 1.00 33.79 O HETATM 2382 O HOH 186 22.930 -5.682 18.745 1.00 38.33 O HETATM 2383 O HOH 187 -3.397 -5.594 1.010 1.00 37.15 O HETATM 2384 O HOH 188 -14.455 -9.793 8.552 1.00 37.12 O HETATM 2385 O HOH 189 30.662 10.976 19.081 1.00 58.99 O HETATM 2386 O HOH 190 37.575 9.037 2.751 1.00 45.55 O HETATM 2387 O HOH 191 16.308 13.454 -8.603 1.00 32.92 O HETATM 2388 O HOH 192 19.716 -19.798 7.602 1.00 35.71 O HETATM 2389 O HOH 193 35.834 -7.034 -1.006 1.00 28.70 O HETATM 2390 O HOH 194 39.336 -13.900 8.384 1.00 34.76 O HETATM 2391 O HOH 195 14.214 17.008 -6.975 1.00 32.13 O HETATM 2392 O HOH 196 27.289 6.362 19.362 1.00 33.73 O HETATM 2393 O HOH 197 -7.691 10.664 1.003 1.00 42.71 O HETATM 2394 O HOH 198 11.331 -10.052 -4.876 1.00 46.06 O HETATM 2395 O HOH 199 16.967 4.713 0.252 1.00 13.17 O HETATM 2396 O HOH 200 17.459 -17.428 9.552 1.00 30.23 O HETATM 2397 O HOH 201 41.043 -13.592 4.357 1.00 42.77 O HETATM 2398 O HOH 202 37.022 -0.703 2.999 1.00 39.95 O HETATM 2399 O HOH 203 -14.456 4.087 4.352 1.00 43.23 O HETATM 2400 O HOH 204 10.965 0.797 -8.274 1.00 40.52 O HETATM 2401 O HOH 205 17.559 -9.925 -7.468 1.00 31.68 O HETATM 2402 O HOH 206 16.979 -7.476 -6.534 1.00 37.78 O HETATM 2403 O HOH 207 5.830 14.231 -7.869 1.00 56.43 O HETATM 2404 O HOH 208 40.373 -15.510 9.740 1.00 49.47 O HETATM 2405 O HOH 209 25.795 21.557 -3.848 1.00 27.29 O HETATM 2406 O HOH 210 20.861 16.654 -4.017 1.00 25.31 O HETATM 2407 O HOH 211 20.492 24.397 -4.790 1.00 26.18 O HETATM 2408 O HOH 212 22.075 26.259 -3.373 1.00 18.75 O HETATM 2409 O HOH 213 27.159 22.990 -6.270 1.00 36.61 O HETATM 2410 O HOH 214 25.514 22.468 8.513 1.00 23.49 O HETATM 2411 O HOH 215 22.479 20.601 11.051 1.00 32.32 O HETATM 2412 O HOH 216 30.204 24.166 0.368 1.00 28.31 O HETATM 2413 O HOH 217 29.026 22.401 3.612 1.00 33.02 O HETATM 2414 O HOH 218 26.924 30.208 7.683 1.00 35.90 O HETATM 2415 O HOH 219 17.987 23.276 -4.206 1.00 30.83 O HETATM 2416 O HOH 220 30.938 22.094 1.435 1.00 36.65 O HETATM 2417 O HOH 221 16.960 22.641 -1.596 1.00 31.92 O HETATM 2418 O HOH 222 31.550 19.658 -0.008 1.00 42.33 O HETATM 2419 C ACE A 223 30.448 24.241 8.335 1.00 0.18 C HETATM 2420 O ACE A 223 31.376 25.034 8.361 1.00 -0.40 O HETATM 2421 CH3 ACE A 223 30.280 23.224 9.471 1.00 0.03 C HETATM 2422 H1 ACE A 223 29.396 22.599 9.276 1.00 0.05 H HETATM 2423 H2 ACE A 223 30.149 23.757 10.424 1.00 0.05 H HETATM 2424 H3 ACE A 223 31.174 22.586 9.528 1.00 0.05 H HETATM 2425 N ACE A 223 29.656 24.131 7.292 1.00 -0.26 N HETATM 2426 CA ACE A 223 28.494 23.240 7.245 1.00 0.14 C HETATM 2427 C ACE A 223 28.842 21.762 6.924 1.00 0.21 C HETATM 2428 O ACE A 223 29.882 21.416 6.399 1.00 -0.39 O HETATM 2429 N ACE A 223 27.948 20.915 7.367 1.00 -0.26 N HETATM 2430 CA ACE A 223 28.065 19.489 7.153 1.00 0.13 C HETATM 2431 C ACE A 223 28.066 19.234 5.651 1.00 0.20 C HETATM 2432 O ACE A 223 27.437 19.915 4.889 1.00 -0.39 O HETATM 2433 N ACE A 223 28.716 18.151 5.300 1.00 -0.27 N HETATM 2434 CA ACE A 223 28.788 17.716 3.930 1.00 0.13 C HETATM 2435 C ACE A 223 27.496 17.553 3.378 1.00 0.23 C HETATM 2436 O ACE A 223 27.206 17.919 2.278 1.00 -0.34 O HETATM 2437 N ACE A 223 26.531 16.994 4.158 1.00 -0.26 N HETATM 2438 CA ACE A 223 25.168 16.760 3.688 1.00 0.13 C HETATM 2439 C ACE A 223 24.472 17.940 3.330 1.00 0.20 C HETATM 2440 O ACE A 223 23.678 17.969 2.454 1.00 -0.39 O HETATM 2441 N ACE A 223 24.710 19.062 4.066 1.00 -0.26 N HETATM 2442 CA ACE A 223 24.082 20.352 3.736 1.00 0.14 C HETATM 2443 C ACE A 223 24.394 20.790 2.425 1.00 0.21 C HETATM 2444 O ACE A 223 23.578 21.328 1.759 1.00 -0.39 O HETATM 2445 N ACE A 223 25.633 20.515 1.898 1.00 -0.26 N HETATM 2446 CA ACE A 223 25.937 20.884 0.515 1.00 0.13 C HETATM 2447 C ACE A 223 25.451 19.992 -0.406 1.00 0.20 C HETATM 2448 O ACE A 223 24.889 20.362 -1.387 1.00 -0.39 O HETATM 2449 N ACE A 223 25.514 18.671 -0.134 1.00 -0.27 N HETATM 2450 CA ACE A 223 25.149 17.675 -1.028 1.00 0.13 C HETATM 2451 C ACE A 223 23.656 17.862 -1.316 1.00 0.23 C HETATM 2452 O ACE A 223 23.115 17.573 -2.348 1.00 -0.34 O HETATM 2453 N ACE A 223 22.863 18.309 -0.348 1.00 -0.26 N HETATM 2454 CA ACE A 223 21.390 18.491 -0.489 1.00 0.13 C HETATM 2455 C ACE A 223 21.001 19.568 -1.508 1.00 0.20 C HETATM 2456 O ACE A 223 19.906 19.607 -1.941 1.00 -0.39 O HETATM 2457 N ACE A 223 21.948 20.418 -1.832 1.00 -0.26 N HETATM 2458 CA ACE A 223 21.692 21.536 -2.750 1.00 0.13 C HETATM 2459 C ACE A 223 22.029 21.240 -4.217 1.00 0.20 C HETATM 2460 O ACE A 223 21.696 22.022 -5.053 1.00 -0.39 O HETATM 2461 N ACE A 223 22.633 20.125 -4.493 1.00 -0.26 N HETATM 2462 CA ACE A 223 23.003 19.726 -5.866 1.00 0.14 C HETATM 2463 C ACE A 223 21.738 19.245 -6.503 1.00 0.21 C HETATM 2464 O ACE A 223 21.105 18.339 -6.053 1.00 -0.39 O HETATM 2465 N ACE A 223 21.364 19.947 -7.502 1.00 -0.26 N HETATM 2466 CA ACE A 223 20.139 19.716 -8.220 1.00 0.15 C HETATM 2467 C ACE A 223 20.471 19.054 -9.559 1.00 0.20 C HETATM 2468 O ACE A 223 21.191 18.060 -9.651 1.00 -0.39 O HETATM 2469 N ACE A 223 19.996 19.696 -10.586 1.00 -0.30 N HETATM 2470 H105 ACE A 223 20.155 19.349 -11.510 1.00 0.18 H HETATM 2471 H106 ACE A 223 19.471 20.537 -10.451 1.00 0.18 H HETATM 2472 CB ACE A 223 19.431 21.112 -8.323 1.00 0.08 C HETATM 2473 OG ACE A 223 20.087 22.139 -9.096 1.00 -0.39 O HETATM 2474 H104 ACE A 223 19.561 22.930 -9.081 1.00 0.21 H HETATM 2475 H102 ACE A 223 19.311 21.497 -7.299 1.00 0.06 H HETATM 2476 H103 ACE A 223 18.440 20.946 -8.771 1.00 0.06 H HETATM 2477 H101 ACE A 223 19.491 19.033 -7.651 1.00 0.08 H HETATM 2478 H100 ACE A 223 21.954 20.697 -7.801 1.00 0.19 H HETATM 2479 CB ACE A 223 23.935 18.539 -5.826 1.00 0.04 C HETATM 2480 CG ACE A 223 25.406 18.865 -5.978 1.00 0.04 C HETATM 2481 OD1 ACE A 223 25.809 19.938 -5.563 1.00 -0.57 O HETATM 2482 OD2 ACE A 223 26.135 17.977 -6.450 1.00 -0.57 O HETATM 2483 H98 ACE A 223 23.652 17.857 -6.642 1.00 0.05 H HETATM 2484 H99 ACE A 223 23.798 18.032 -4.860 1.00 0.05 H HETATM 2485 H97 ACE A 223 23.451 20.565 -6.419 1.00 0.08 H HETATM 2486 H96 ACE A 223 22.859 19.507 -3.740 1.00 0.19 H HETATM 2487 CB ACE A 223 22.517 22.736 -2.276 1.00 0.00 C HETATM 2488 CG ACE A 223 21.981 23.284 -0.956 1.00 0.04 C HETATM 2489 CD ACE A 223 22.922 24.384 -0.449 1.00 0.17 C HETATM 2490 OE1 ACE A 223 22.885 25.461 -0.938 1.00 -0.40 O HETATM 2491 NE2 ACE A 223 23.749 24.081 0.509 1.00 -0.30 N HETATM 2492 H94 ACE A 223 24.377 24.773 0.865 1.00 0.18 H HETATM 2493 H95 ACE A 223 23.756 23.156 0.889 1.00 0.18 H HETATM 2494 H92 ACE A 223 21.929 22.473 -0.214 1.00 0.05 H HETATM 2495 H93 ACE A 223 20.976 23.703 -1.112 1.00 0.05 H HETATM 2496 H90 ACE A 223 22.471 23.527 -3.039 1.00 0.03 H HETATM 2497 H91 ACE A 223 23.562 22.421 -2.137 1.00 0.03 H HETATM 2498 H89 ACE A 223 20.623 21.788 -2.693 1.00 0.08 H HETATM 2499 H88 ACE A 223 22.863 20.302 -1.446 1.00 0.19 H HETATM 2500 CB ACE A 223 20.713 18.813 0.842 1.00 -0.01 C HETATM 2501 CG ACE A 223 20.361 17.538 1.605 1.00 -0.04 C HETATM 2502 CD1 ACE A 223 20.066 17.908 3.051 1.00 -0.06 C HETATM 2503 H82 ACE A 223 19.810 17.000 3.617 1.00 0.02 H HETATM 2504 H83 ACE A 223 19.221 18.611 3.084 1.00 0.02 H HETATM 2505 H84 ACE A 223 20.954 18.380 3.497 1.00 0.02 H HETATM 2506 CD2 ACE A 223 19.067 17.017 1.098 1.00 -0.06 C HETATM 2507 H85 ACE A 223 19.179 16.719 0.045 1.00 0.02 H HETATM 2508 H86 ACE A 223 18.300 17.801 1.177 1.00 0.02 H HETATM 2509 H87 ACE A 223 18.763 16.145 1.696 1.00 0.02 H HETATM 2510 H81 ACE A 223 21.166 16.793 1.524 1.00 0.03 H HETATM 2511 H79 ACE A 223 19.791 19.381 0.648 1.00 0.03 H HETATM 2512 H80 ACE A 223 21.396 19.421 1.454 1.00 0.03 H HETATM 2513 H78 ACE A 223 20.985 17.534 -0.848 1.00 0.08 H HETATM 2514 H77 ACE A 223 23.281 18.538 0.531 1.00 0.19 H HETATM 2515 CB ACE A 223 25.109 16.296 -0.535 1.00 -0.02 C HETATM 2516 CG ACE A 223 26.559 15.721 -0.418 1.00 -0.04 C HETATM 2517 CD ACE A 223 26.582 14.332 0.217 1.00 -0.04 C HETATM 2518 CE ACE A 223 27.879 13.758 0.246 1.00 -0.10 C HETATM 2519 CE ACE A 223 28.817 13.874 1.224 1.00 -0.10 C HETATM 2520 CD ACE A 223 28.691 14.558 2.417 1.00 -0.04 C HETATM 2521 CG ACE A 223 29.723 15.656 2.641 1.00 -0.04 C HETATM 2522 CB ACE A 223 29.576 16.396 3.994 1.00 -0.02 C HETATM 2523 H25 ACE A 223 29.061 15.724 4.696 1.00 0.03 H HETATM 2524 H26 ACE A 223 30.584 16.618 4.373 1.00 0.03 H HETATM 2525 H30 ACE A 223 30.724 15.202 2.603 1.00 0.03 H HETATM 2526 H31 ACE A 223 29.624 16.394 1.831 1.00 0.03 H HETATM 2527 H27 ACE A 223 28.782 13.832 3.238 1.00 0.04 H HETATM 2528 H28 ACE A 223 27.692 15.018 2.443 1.00 0.04 H HETATM 2529 H29 ACE A 223 29.768 13.374 1.048 1.00 0.04 H HETATM 2530 H71 ACE A 223 28.156 13.153 -0.616 1.00 0.04 H HETATM 2531 H69 ACE A 223 26.211 14.412 1.249 1.00 0.04 H HETATM 2532 H70 ACE A 223 25.919 13.671 -0.361 1.00 0.04 H HETATM 2533 H72 ACE A 223 27.161 16.403 0.201 1.00 0.03 H HETATM 2534 H73 ACE A 223 26.997 15.657 -1.425 1.00 0.03 H HETATM 2535 H67 ACE A 223 24.528 15.677 -1.234 1.00 0.03 H HETATM 2536 H68 ACE A 223 24.630 16.278 0.455 1.00 0.03 H HETATM 2537 CB1 ACE A 223 25.776 17.874 -2.342 1.00 -0.03 C HETATM 2538 H74 ACE A 223 25.465 17.068 -3.023 1.00 0.02 H HETATM 2539 H75 ACE A 223 26.870 17.859 -2.232 1.00 0.02 H HETATM 2540 H76 ACE A 223 25.462 18.844 -2.755 1.00 0.02 H HETATM 2541 H66 ACE A 223 25.844 18.393 0.768 1.00 0.18 H HETATM 2542 CB ACE A 223 27.464 20.890 0.395 1.00 -0.01 C HETATM 2543 CG ACE A 223 27.982 21.158 -1.011 1.00 -0.02 C HETATM 2544 CD ACE A 223 27.819 22.618 -1.405 1.00 0.06 C HETATM 2545 NE ACE A 223 28.073 22.734 -2.828 1.00 -0.27 N HETATM 2546 CZ ACE A 223 29.259 23.067 -3.314 1.00 0.29 C HETATM 2547 NH1 ACE A 223 30.297 23.243 -2.542 1.00 -0.28 N HETATM 2548 H62 ACE A 223 31.206 23.502 -2.952 1.00 0.26 H HETATM 2549 H63 ACE A 223 30.207 23.123 -1.523 1.00 0.26 H HETATM 2550 NH2 ACE A 223 29.417 23.141 -4.618 1.00 -0.28 N HETATM 2551 H64 ACE A 223 28.610 23.005 -5.243 1.00 0.26 H HETATM 2552 H65 ACE A 223 30.348 23.335 -5.014 1.00 0.26 H HETATM 2553 H61 ACE A 223 27.302 22.550 -3.486 1.00 0.26 H HETATM 2554 H59 ACE A 223 28.537 23.237 -0.847 1.00 0.07 H HETATM 2555 H60 ACE A 223 26.795 22.952 -1.181 1.00 0.07 H HETATM 2556 H57 ACE A 223 27.422 20.533 -1.722 1.00 0.03 H HETATM 2557 H58 ACE A 223 29.049 20.895 -1.053 1.00 0.03 H HETATM 2558 H55 ACE A 223 27.839 19.908 0.718 1.00 0.03 H HETATM 2559 H56 ACE A 223 27.859 21.671 1.062 1.00 0.03 H HETATM 2560 H54 ACE A 223 25.527 21.883 0.303 1.00 0.08 H HETATM 2561 H53 ACE A 223 26.326 20.063 2.459 1.00 0.19 H HETATM 2562 CB ACE A 223 24.501 21.330 4.860 1.00 0.04 C HETATM 2563 CG ACE A 223 23.993 22.736 4.689 1.00 0.06 C HETATM 2564 ND1 ACE A 223 22.942 23.257 5.214 1.00 -0.26 N HETATM 2565 CE1 ACE A 223 22.848 24.507 4.831 1.00 0.09 C HETATM 2566 NE2 ACE A 223 23.902 24.720 4.102 1.00 -0.34 N HETATM 2567 CD2 ACE A 223 24.620 23.648 4.026 1.00 -0.03 C HETATM 2568 H51 ACE A 223 25.569 23.536 3.504 1.00 0.03 H HETATM 2569 H52 ACE A 223 22.056 25.215 5.072 1.00 0.11 H HETATM 2570 H50 ACE A 223 22.280 22.771 5.836 1.00 0.24 H HETATM 2571 H48 ACE A 223 25.600 21.364 4.893 1.00 0.05 H HETATM 2572 H49 ACE A 223 24.117 20.940 5.814 1.00 0.05 H HETATM 2573 H47 ACE A 223 22.990 20.230 3.779 1.00 0.08 H HETATM 2574 H46 ACE A 223 25.327 19.008 4.851 1.00 0.19 H HETATM 2575 CB ACE A 223 24.429 15.943 4.765 1.00 -0.01 C HETATM 2576 CG ACE A 223 23.015 15.560 4.456 1.00 -0.04 C HETATM 2577 CD1 ACE A 223 22.964 14.728 3.193 1.00 -0.06 C HETATM 2578 H40 ACE A 223 21.921 14.453 2.977 1.00 0.02 H HETATM 2579 H41 ACE A 223 23.563 13.816 3.331 1.00 0.02 H HETATM 2580 H42 ACE A 223 23.371 15.310 2.353 1.00 0.02 H HETATM 2581 CD2 ACE A 223 22.481 14.688 5.590 1.00 -0.06 C HETATM 2582 H43 ACE A 223 22.501 15.257 6.531 1.00 0.02 H HETATM 2583 H44 ACE A 223 23.110 13.791 5.691 1.00 0.02 H HETATM 2584 H45 ACE A 223 21.447 14.387 5.365 1.00 0.02 H HETATM 2585 H39 ACE A 223 22.399 16.464 4.342 1.00 0.03 H HETATM 2586 H37 ACE A 223 24.420 16.539 5.690 1.00 0.03 H HETATM 2587 H38 ACE A 223 24.998 15.016 4.931 1.00 0.03 H HETATM 2588 H36 ACE A 223 25.231 16.142 2.780 1.00 0.08 H HETATM 2589 H35 ACE A 223 26.765 16.732 5.094 1.00 0.19 H HETATM 2590 CB1 ACE A 223 29.606 18.751 3.174 1.00 -0.03 C HETATM 2591 H32 ACE A 223 29.686 18.455 2.118 1.00 0.02 H HETATM 2592 H33 ACE A 223 30.612 18.815 3.614 1.00 0.02 H HETATM 2593 H34 ACE A 223 29.112 19.731 3.244 1.00 0.02 H HETATM 2594 H24 ACE A 223 29.175 17.611 6.005 1.00 0.18 H HETATM 2595 CB ACE A 223 26.820 18.896 7.753 1.00 -0.01 C HETATM 2596 CG ACE A 223 26.852 18.897 9.258 1.00 -0.04 C HETATM 2597 CD ACE A 223 25.485 18.571 9.813 1.00 -0.01 C HETATM 2598 CE ACE A 223 25.473 18.457 11.331 1.00 -0.04 C HETATM 2599 NZ ACE A 223 24.126 18.352 11.873 1.00 0.22 N HETATM 2600 H21 ACE A 223 24.173 18.279 12.877 1.00 0.20 H HETATM 2601 H22 ACE A 223 23.676 17.532 11.497 1.00 0.20 H HETATM 2602 H23 ACE A 223 23.597 19.172 11.620 1.00 0.20 H HETATM 2603 H19 ACE A 223 25.955 19.350 11.755 1.00 0.08 H HETATM 2604 H20 ACE A 223 26.041 17.561 11.622 1.00 0.08 H HETATM 2605 H17 ACE A 223 25.152 17.613 9.387 1.00 0.03 H HETATM 2606 H18 ACE A 223 24.787 19.367 9.515 1.00 0.03 H HETATM 2607 H15 ACE A 223 27.160 19.891 9.614 1.00 0.03 H HETATM 2608 H16 ACE A 223 27.574 18.143 9.606 1.00 0.03 H HETATM 2609 H13 ACE A 223 26.718 17.858 7.402 1.00 0.03 H HETATM 2610 H14 ACE A 223 25.952 19.483 7.418 1.00 0.03 H HETATM 2611 H12 ACE A 223 28.972 19.080 7.622 1.00 0.08 H HETATM 2612 H11 ACE A 223 27.158 21.265 7.870 1.00 0.19 H HETATM 2613 CB ACE A 223 27.465 23.838 6.288 1.00 0.04 C HETATM 2614 CG ACE A 223 26.877 25.118 6.868 1.00 0.06 C HETATM 2615 ND1 ACE A 223 25.957 25.150 7.796 1.00 -0.26 N HETATM 2616 CE1 ACE A 223 25.739 26.427 8.035 1.00 0.09 C HETATM 2617 NE2 ACE A 223 26.512 27.155 7.250 1.00 -0.34 N HETATM 2618 CD2 ACE A 223 27.212 26.355 6.512 1.00 -0.03 C HETATM 2619 H9 ACE A 223 27.934 26.639 5.748 1.00 0.03 H HETATM 2620 H10 ACE A 223 25.033 26.820 8.765 1.00 0.11 H HETATM 2621 H8 ACE A 223 25.498 24.345 8.246 1.00 0.24 H HETATM 2622 H6 ACE A 223 26.657 23.110 6.125 1.00 0.05 H HETATM 2623 H7 ACE A 223 27.953 24.066 5.329 1.00 0.05 H HETATM 2624 H5 ACE A 223 28.045 23.239 8.249 1.00 0.08 H HETATM 2625 H4 ACE A 223 29.858 24.686 6.485 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 693 694 698 699 700 CONECT 698 693 CONECT 699 693 CONECT 700 693 CONECT 1039 1040 1046 1047 1048 CONECT 1046 1039 CONECT 1047 1039 CONECT 1048 1039 CONECT 1455 1456 1467 1468 1469 CONECT 1467 1455 CONECT 1468 1455 CONECT 1469 1455 CONECT 2040 2041 2052 2053 2054 CONECT 2052 2040 CONECT 2053 2040 CONECT 2054 2040 CONECT 2419 2420 2421 2425 CONECT 2420 2419 CONECT 2421 2419 2422 2423 2424 CONECT 2422 2421 CONECT 2423 2421 CONECT 2424 2421 CONECT 2425 2419 2426 2625 CONECT 2426 2425 2427 2613 2624 CONECT 2427 2426 2428 2429 CONECT 2428 2427 CONECT 2429 2427 2430 2612 CONECT 2430 2429 2431 2595 2611 CONECT 2431 2430 2432 2433 CONECT 2432 2431 CONECT 2433 2431 2434 2594 CONECT 2434 2433 2435 2522 2590 CONECT 2435 2434 2436 2437 CONECT 2436 2435 CONECT 2437 2435 2438 2589 CONECT 2438 2437 2439 2575 2588 CONECT 2439 2438 2440 2441 CONECT 2440 2439 CONECT 2441 2439 2442 2574 CONECT 2442 2441 2443 2562 2573 CONECT 2443 2442 2444 2445 CONECT 2444 2443 CONECT 2445 2443 2446 2561 CONECT 2446 2445 2447 2542 2560 CONECT 2447 2446 2448 2449 CONECT 2448 2447 CONECT 2449 2447 2450 2541 CONECT 2450 2449 2451 2515 2537 CONECT 2451 2450 2452 2453 CONECT 2452 2451 CONECT 2453 2451 2454 2514 CONECT 2454 2453 2455 2500 2513 CONECT 2455 2454 2456 2457 CONECT 2456 2455 CONECT 2457 2455 2458 2499 CONECT 2458 2457 2459 2487 2498 CONECT 2459 2458 2460 2461 CONECT 2460 2459 CONECT 2461 2459 2462 2486 CONECT 2462 2461 2463 2479 2485 CONECT 2463 2462 2464 2465 CONECT 2464 2463 CONECT 2465 2463 2466 2478 CONECT 2466 2465 2467 2472 2477 CONECT 2467 2466 2468 2469 CONECT 2468 2467 CONECT 2469 2467 2470 2471 CONECT 2470 2469 CONECT 2471 2469 CONECT 2472 2466 2473 2475 2476 CONECT 2473 2472 2474 CONECT 2474 2473 CONECT 2475 2472 CONECT 2476 2472 CONECT 2477 2466 CONECT 2478 2465 CONECT 2479 2462 2480 2483 2484 CONECT 2480 2479 2481 2482 CONECT 2481 2480 CONECT 2482 2480 CONECT 2483 2479 CONECT 2484 2479 CONECT 2485 2462 CONECT 2486 2461 CONECT 2487 2458 2488 2496 2497 CONECT 2488 2487 2489 2494 2495 CONECT 2489 2488 2490 2491 CONECT 2490 2489 CONECT 2491 2489 2492 2493 CONECT 2492 2491 CONECT 2493 2491 CONECT 2494 2488 CONECT 2495 2488 CONECT 2496 2487 CONECT 2497 2487 CONECT 2498 2458 CONECT 2499 2457 CONECT 2500 2454 2501 2511 2512 CONECT 2501 2500 2502 2506 2510 CONECT 2502 2501 2503 2504 2505 CONECT 2503 2502 CONECT 2504 2502 CONECT 2505 2502 CONECT 2506 2501 2507 2508 2509 CONECT 2507 2506 CONECT 2508 2506 CONECT 2509 2506 CONECT 2510 2501 CONECT 2511 2500 CONECT 2512 2500 CONECT 2513 2454 CONECT 2514 2453 CONECT 2515 2450 2516 2535 2536 CONECT 2516 2515 2517 2533 2534 CONECT 2517 2516 2518 2531 2532 CONECT 2518 2517 2519 2530 CONECT 2519 2518 2520 2529 CONECT 2520 2519 2521 2527 2528 CONECT 2521 2520 2522 2525 2526 CONECT 2522 2434 2521 2523 2524 CONECT 2523 2522 CONECT 2524 2522 CONECT 2525 2521 CONECT 2526 2521 CONECT 2527 2520 CONECT 2528 2520 CONECT 2529 2519 CONECT 2530 2518 CONECT 2531 2517 CONECT 2532 2517 CONECT 2533 2516 CONECT 2534 2516 CONECT 2535 2515 CONECT 2536 2515 CONECT 2537 2450 2538 2539 2540 CONECT 2538 2537 CONECT 2539 2537 CONECT 2540 2537 CONECT 2541 2449 CONECT 2542 2446 2543 2558 2559 CONECT 2543 2542 2544 2556 2557 CONECT 2544 2543 2545 2554 2555 CONECT 2545 2544 2546 2553 CONECT 2546 2545 2547 2550 CONECT 2547 2546 2548 2549 CONECT 2548 2547 CONECT 2549 2547 CONECT 2550 2546 2551 2552 CONECT 2551 2550 CONECT 2552 2550 CONECT 2553 2545 CONECT 2554 2544 CONECT 2555 2544 CONECT 2556 2543 CONECT 2557 2543 CONECT 2558 2542 CONECT 2559 2542 CONECT 2560 2446 CONECT 2561 2445 CONECT 2562 2442 2563 2571 2572 CONECT 2563 2562 2564 2567 CONECT 2564 2563 2565 2570 CONECT 2565 2564 2566 2569 CONECT 2566 2565 2567 CONECT 2567 2563 2566 2568 CONECT 2568 2567 CONECT 2569 2565 CONECT 2570 2564 CONECT 2571 2562 CONECT 2572 2562 CONECT 2573 2442 CONECT 2574 2441 CONECT 2575 2438 2576 2586 2587 CONECT 2576 2575 2577 2581 2585 CONECT 2577 2576 2578 2579 2580 CONECT 2578 2577 CONECT 2579 2577 CONECT 2580 2577 CONECT 2581 2576 2582 2583 2584 CONECT 2582 2581 CONECT 2583 2581 CONECT 2584 2581 CONECT 2585 2576 CONECT 2586 2575 CONECT 2587 2575 CONECT 2588 2438 CONECT 2589 2437 CONECT 2590 2434 2591 2592 2593 CONECT 2591 2590 CONECT 2592 2590 CONECT 2593 2590 CONECT 2594 2433 CONECT 2595 2430 2596 2609 2610 CONECT 2596 2595 2597 2607 2608 CONECT 2597 2596 2598 2605 2606 CONECT 2598 2597 2599 2603 2604 CONECT 2599 2598 2600 2601 2602 CONECT 2600 2599 CONECT 2601 2599 CONECT 2602 2599 CONECT 2603 2598 CONECT 2604 2598 CONECT 2605 2597 CONECT 2606 2597 CONECT 2607 2596 CONECT 2608 2596 CONECT 2609 2595 CONECT 2610 2595 CONECT 2611 2430 CONECT 2612 2429 CONECT 2613 2426 2614 2622 2623 CONECT 2614 2613 2615 2618 CONECT 2615 2614 2616 2621 CONECT 2616 2615 2617 2620 CONECT 2617 2616 2618 CONECT 2618 2614 2617 2619 CONECT 2619 2618 CONECT 2620 2616 CONECT 2621 2615 CONECT 2622 2613 CONECT 2623 2613 CONECT 2624 2426 CONECT 2625 2425 MASTER 0 0 0 0 0 0 0 0 2620 5 227 20 END
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PDBbind
13-mer
1p4u
RCSB PDB
PDBbind
13-mer
1r5v
RCSB PDB
PDBbind
13-mer
1r5w
RCSB PDB
PDBbind
13-mer
1rgj
RCSB PDB
PDBbind
13-mer
1sjh
RCSB PDB
PDBbind
13-mer
1sm3
RCSB PDB
PDBbind
13-mer
1thr
RCSB PDB
PDBbind
13-mer
1u9l
RCSB PDB
PDBbind
13-mer
1uef
RCSB PDB
PDBbind
13-mer
1yvh
RCSB PDB
PDBbind
13-mer
1ywh
RCSB PDB
PDBbind
13-mer
1zhk
RCSB PDB
PDBbind
13-mer
1zhl
RCSB PDB
PDBbind
13-mer
2a25
RCSB PDB
PDBbind
13-mer
2c9t
RCSB PDB
PDBbind
13-mer
2dwx
RCSB PDB
PDBbind
13-mer
2fts
RCSB PDB
PDBbind
13-mer
2las
RCSB PDB
PDBbind
13-mer
2lct
RCSB PDB
PDBbind
13-mer
2lsp
RCSB PDB
PDBbind
13-mer
2lto
RCSB PDB
PDBbind
13-mer
2lyw
RCSB PDB
PDBbind
13-mer
2mc1
RCSB PDB
PDBbind
13-mer
2mkr
RCSB PDB
PDBbind
13-mer
2ndf
RCSB PDB
PDBbind
13-mer
2ndg
RCSB PDB
PDBbind
13-mer
2qki
RCSB PDB
PDBbind
13-mer
2r0y
RCSB PDB
PDBbind
13-mer
2rnx
RCSB PDB
PDBbind
13-mer
2v87
RCSB PDB
PDBbind
13-mer
2vr3
RCSB PDB
PDBbind
13-mer
3ask
RCSB PDB
PDBbind
13-mer
3bum
RCSB PDB
PDBbind
13-mer
3bun
RCSB PDB
PDBbind
13-mer
3buo
RCSB PDB
PDBbind
13-mer
3buw
RCSB PDB
PDBbind
13-mer
3bux
RCSB PDB
PDBbind
13-mer
3c3o
RCSB PDB
PDBbind
13-mer
3c3r
RCSB PDB
PDBbind
13-mer
3coj
RCSB PDB
PDBbind
13-mer
3e1r
RCSB PDB
PDBbind
13-mer
3eg6
RCSB PDB
PDBbind
13-mer
3emh
RCSB PDB
PDBbind
13-mer
3g2s
RCSB PDB
PDBbind
13-mer
3g2t
RCSB PDB
PDBbind
13-mer
3g2u
RCSB PDB
PDBbind
13-mer
3g2v
RCSB PDB
PDBbind
13-mer
3ml4
RCSB PDB
PDBbind
13-mer
3n5u
RCSB PDB
PDBbind
13-mer
3nfk
RCSB PDB
PDBbind
13-mer
3nti
RCSB PDB
PDBbind
13-mer
3o1d
RCSB PDB
PDBbind
13-mer
3o1e
RCSB PDB
PDBbind
13-mer
3q5u
RCSB PDB
PDBbind
13-mer
3rqf
RCSB PDB
PDBbind
13-mer
3rqg
RCSB PDB
PDBbind
13-mer
3rz9
RCSB PDB
PDBbind
13-mer
3s7f
RCSB PDB
PDBbind
13-mer
3tdz
RCSB PDB
PDBbind
13-mer
3ui2
RCSB PDB
PDBbind
13-mer
4abi
RCSB PDB
PDBbind
13-mer
4abj
RCSB PDB
PDBbind
13-mer
4b9w
RCSB PDB
PDBbind
13-mer
4bea
RCSB PDB
PDBbind
13-mer
4bv2
RCSB PDB
PDBbind
13-mer
4f14
RCSB PDB
PDBbind
13-mer
4f20
RCSB PDB
PDBbind
13-mer
4h3q
RCSB PDB
PDBbind
13-mer
4ib5
RCSB PDB
PDBbind
13-mer
4jmg
RCSB PDB
PDBbind
13-mer
4jmh
RCSB PDB
PDBbind
13-mer
4l1u
RCSB PDB
PDBbind
13-mer
4m7c
RCSB PDB
PDBbind
13-mer
4mz5
RCSB PDB
PDBbind
13-mer
4mz6
RCSB PDB
PDBbind
13-mer
4n7h
RCSB PDB
PDBbind
13-mer
4po7
RCSB PDB
PDBbind
13-mer
4qh8
RCSB PDB
PDBbind
13-mer
4rme
RCSB PDB
PDBbind
13-mer
4um9
RCSB PDB
PDBbind
13-mer
4umn
RCSB PDB
PDBbind
13-mer
4w4z
RCSB PDB
PDBbind
13-mer
4wj7
RCSB PDB
PDBbind
13-mer
4x3e
RCSB PDB
PDBbind
13-mer
4yjl
RCSB PDB
PDBbind
13-mer
4z0d
RCSB PDB
PDBbind
13-mer
4z0e
RCSB PDB
PDBbind
13-mer
4z0f
RCSB PDB
PDBbind
13-mer
5cil
RCSB PDB
PDBbind
13-mer
5dd0
RCSB PDB
PDBbind
13-mer
5dhf
RCSB PDB
PDBbind
13-mer
5dx3
RCSB PDB
PDBbind
13-mer
5dxb
RCSB PDB
PDBbind
13-mer
5dxg
RCSB PDB
PDBbind
13-mer
5e0m
RCSB PDB
PDBbind
13-mer
5eay
RCSB PDB
PDBbind
13-mer
5eyz
RCSB PDB
PDBbind
13-mer
5fyq
RCSB PDB
PDBbind
13-mer
5gg4
RCSB PDB
PDBbind
13-mer
5h1e
RCSB PDB
PDBbind
13-mer
5h7g
RCSB PDB
PDBbind
13-mer
5hyr
RCSB PDB
PDBbind
13-mer
5hyx
RCSB PDB
PDBbind
13-mer
5jr2
RCSB PDB
PDBbind
13-mer
5kgn
RCSB PDB
PDBbind
13-mer
5lgp
RCSB PDB
PDBbind
13-mer
5lu2
RCSB PDB
PDBbind
13-mer
5n8b
RCSB PDB
PDBbind
13-mer
5n8e
RCSB PDB
PDBbind
13-mer
5n8t
RCSB PDB
PDBbind
13-mer
5t6j
RCSB PDB
PDBbind
13-mer
5u6k
RCSB PDB
PDBbind
13-mer
5umz
RCSB PDB
PDBbind
13-mer
5vqi
RCSB PDB
PDBbind
13-mer
5wgd
RCSB PDB
PDBbind
13-mer
5wgq
RCSB PDB
PDBbind
13-mer
5yyz
RCSB PDB
PDBbind
13-mer
6bij
RCSB PDB
PDBbind
13-mer
6bil
RCSB PDB
PDBbind
13-mer
6bin
RCSB PDB
PDBbind
13-mer
6bir
RCSB PDB
PDBbind
13-mer
6biv
RCSB PDB
PDBbind
13-mer
6bix
RCSB PDB
PDBbind
13-mer
6biy
RCSB PDB
PDBbind
13-mer
6bnh
RCSB PDB
PDBbind
13-mer
6cf6
RCSB PDB
PDBbind
13-mer
6drt
RCSB PDB
PDBbind
13-mer
6e8k
RCSB PDB
PDBbind
13-mer
6e8m
RCSB PDB
PDBbind
13-mer
6o7g
RCSB PDB
PDBbind
13-mer
6o3y
RCSB PDB
PDBbind
13-mer
6nkp
RCSB PDB
PDBbind
13-mer
6n9t
RCSB PDB
PDBbind
13-mer
6n87
RCSB PDB
PDBbind
13-mer
6n7q
RCSB PDB
PDBbind
13-mer
6hy7
RCSB PDB
PDBbind
13-mer
6bcy
RCSB PDB
PDBbind
13-mer
5yy9
RCSB PDB
PDBbind
13-mer
5mtw
RCSB PDB
PDBbind
13-mer
Entry Information
PDB ID
5dxe
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Estrogen Receptor Alpha Ligand Binding Domain Y537S Mutant
Ligand Name
13-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
IC50=390nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Angew.Chem.Int.Ed.Engl. Vol. 55: pp. 4252-4255
Ligand Properties
Formula
C
6
4
H
1
0
7
N
2
1
O
1
6
Molecular Weight
1426.670
Exact Mass
1425.820
No. of atoms
208
No. of bonds
210
Polar Surface Area
614.82
LOGP Value
-2.50 (
Computed with XLOGP3
)
-0.33 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 43
No. of Nitrogen and Oxygen Atoms: 37
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@@]1(C)CCC/C=C\CCC[C@](C)(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC(C)C)Cc1[nH]cnc1)CCC[NH+]=C(N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CO)CC(=O)O)CCC(=O)N)CC(C)C)NC(=O)[C@H](Cc1[nH]cnc1)NC(=O)C
InChI String
InChI=1S/C64H105N21O16/c1-35(2)25-43(53(93)78-42(19-20-49(66)88)52(92)80-47(29-50(89)90)57(97)81-48(32-86)51(67)91)82-60(100)64(7)22-14-11-9-8-10-13-21-63(6,84-58(98)40(17-12-15-23-65)76-55(95)45(75-37(5)87)27-38-30-70-33-73-38)61(101)83-44(26-36(3)4)54(94)79-46(28-39-31-71-34-74-39)56(96)77-41(59(99)85-64)18-16-24-72-62(68)69/h8-9,30-31,33-36,40-48,86H,10-29,32,65H2,1-7H3,(H2,66,88)(H2,67,91)(H,70,73)(H,71,74)(H,75,87)(H,76,95)(H,77,96)(H,78,93)(H,79,94)(H,80,92)(H,81,97)(H,82,100)(H,83,101)(H,84,98)(H,85,99)(H,89,90)(H4,68,69,72)/p+2/b9-8-/t40-,41-,42-,43-,44-,45-,46-,47-,48-,63-,64-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P03372
Q15596
Entrez Gene ID
NCBI Entrez Gene ID:
2099
10499
ASD
Information of known allosteric effects of PDB entries
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