Browse entries in the PDBbind-CN Database
HEADER 5DX3_COMPLEX COMPND 5DX3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 155 ALA LEU SER LEU THR ALA ASP GLN MET VAL SER ALA LEU SEQRES 2 A 155 LEU ASP ALA GLU PRO PRO ILE LEU TYR SER GLU TYR ASP SEQRES 3 A 155 PRO THR ARG PRO PHE SER GLU ALA SER MET MET GLY LEU SEQRES 4 A 155 LEU THR ASN LEU ALA ASP ARG GLU LEU VAL HIS MET ILE SEQRES 5 A 155 ASN TRP ALA LYS ARG VAL PRO GLY PHE VAL ASP LEU THR SEQRES 6 A 155 LEU HIS ASP GLN VAL HIS LEU LEU GLU CYS ALA TRP LEU SEQRES 7 A 155 GLU ILE LEU MET ILE GLY LEU VAL TRP ARG SER MET GLU SEQRES 8 A 155 HIS PRO GLY LYS LEU LEU PHE ALA PRO ASN LEU LEU LEU SEQRES 9 A 155 ASP ARG ASN GLN GLY LYS CYS VAL GLU GLY MET VAL GLU SEQRES 10 A 155 ILE PHE ASP MET LEU LEU ALA THR SER SER ARG PHE ARG SEQRES 11 A 155 MET MET ASN LEU GLN GLY GLU GLU PHE VAL CYS LEU LYS SEQRES 12 A 155 SER ILE ILE LEU LEU ASN SER GLY VAL TYR THR PHE SEQRES 1 A 76 LYS ASP HIS ILE HIS ARG VAL LEU ASP LYS ILE THR ASP SEQRES 2 A 76 THR LEU ILE HIS LEU MET ALA LYS ALA GLY LEU THR LEU SEQRES 3 A 76 GLN GLN GLN HIS GLN ARG LEU ALA GLN LEU LEU LEU ILE SEQRES 4 A 76 LEU SER HIS ILE ARG HIS MET SER ASN LYS GLY MET GLU SEQRES 5 A 76 HIS LEU TYR SER MET LYS CYS LYS ASN VAL VAL PRO LEU SEQRES 6 A 76 SER ASP LEU LEU LEU GLU MET LEU ASP ALA HIS HET ACE A 322 210 ATOM 1 N ALA A 307 37.944 19.779 52.251 1.00 72.63 N ATOM 2 CA ALA A 307 38.794 19.526 53.408 1.00 72.31 C ATOM 3 C ALA A 307 38.008 18.786 54.479 1.00 73.12 C ATOM 4 O ALA A 307 38.023 17.557 54.560 1.00 73.24 O ATOM 5 CB ALA A 307 39.345 20.835 53.960 1.00 70.86 C ATOM 6 HN3 ALA A 307 37.130 20.358 52.540 1.00 0.00 H ATOM 7 HN2 ALA A 307 37.607 18.874 51.865 1.00 0.00 H ATOM 8 HN1 ALA A 307 38.490 20.285 51.525 1.00 0.00 H ATOM 9 N LEU A 308 37.318 19.564 55.297 1.00 72.96 N ATOM 10 CA LEU A 308 36.399 19.045 56.290 1.00 70.84 C ATOM 11 C LEU A 308 35.067 18.738 55.612 1.00 67.46 C ATOM 12 O LEU A 308 34.057 18.512 56.275 1.00 64.52 O ATOM 13 CB LEU A 308 36.212 20.075 57.403 1.00 72.87 C ATOM 14 CG LEU A 308 36.117 19.747 58.890 1.00 72.62 C ATOM 15 CD1 LEU A 308 37.497 19.630 59.518 1.00 72.23 C ATOM 16 CD2 LEU A 308 35.315 20.845 59.562 1.00 73.28 C ATOM 17 H LEU A 308 37.441 20.594 55.224 1.00 0.00 H ATOM 18 N SER A 309 35.063 18.753 54.283 1.00 68.06 N ATOM 19 CA SER A 309 33.814 18.657 53.536 1.00 67.50 C ATOM 20 C SER A 309 33.833 17.525 52.530 1.00 62.64 C ATOM 21 O SER A 309 32.998 17.464 51.629 1.00 60.12 O ATOM 22 CB SER A 309 33.511 19.979 52.825 1.00 69.64 C ATOM 23 OG SER A 309 34.699 20.640 52.421 1.00 68.42 O ATOM 24 HG SER A 309 34.465 21.488 51.966 1.00 0.00 H ATOM 25 H SER A 309 35.963 18.834 53.768 1.00 0.00 H ATOM 26 N LEU A 310 34.793 16.627 52.687 1.00 60.54 N ATOM 27 CA LEU A 310 34.848 15.441 51.857 1.00 57.78 C ATOM 28 C LEU A 310 33.759 14.462 52.252 1.00 49.82 C ATOM 29 O LEU A 310 33.437 14.325 53.434 1.00 46.77 O ATOM 30 CB LEU A 310 36.208 14.774 51.980 1.00 60.19 C ATOM 31 CG LEU A 310 37.364 15.607 51.451 1.00 58.66 C ATOM 32 CD1 LEU A 310 38.621 15.216 52.197 1.00 57.28 C ATOM 33 CD2 LEU A 310 37.506 15.375 49.955 1.00 55.92 C ATOM 34 H LEU A 310 35.519 16.775 53.417 1.00 0.00 H ATOM 35 N THR A 311 33.191 13.777 51.269 1.00 46.18 N ATOM 36 CA THR A 311 32.290 12.679 51.571 1.00 45.78 C ATOM 37 C THR A 311 33.105 11.514 52.111 1.00 43.76 C ATOM 38 O THR A 311 34.332 11.515 52.027 1.00 40.60 O ATOM 39 CB THR A 311 31.505 12.211 50.339 1.00 46.62 C ATOM 40 OG1 THR A 311 32.390 11.524 49.446 1.00 44.74 O ATOM 41 CG2 THR A 311 30.871 13.392 49.622 1.00 47.18 C ATOM 42 HG1 THR A 311 31.885 11.221 48.650 1.00 0.00 H ATOM 43 H THR A 311 33.391 14.027 50.279 1.00 0.00 H ATOM 44 N ALA A 312 32.425 10.518 52.664 1.00 43.27 N ATOM 45 CA ALA A 312 33.093 9.281 53.032 1.00 43.99 C ATOM 46 C ALA A 312 33.778 8.679 51.801 1.00 40.63 C ATOM 47 O ALA A 312 34.927 8.240 51.869 1.00 38.05 O ATOM 48 CB ALA A 312 32.103 8.298 53.640 1.00 44.67 C ATOM 49 H ALA A 312 31.405 10.623 52.836 1.00 0.00 H ATOM 50 N ASP A 313 33.073 8.693 50.670 1.00 39.07 N ATOM 51 CA ASP A 313 33.581 8.106 49.428 1.00 40.47 C ATOM 52 C ASP A 313 34.827 8.806 48.884 1.00 39.25 C ATOM 53 O ASP A 313 35.715 8.153 48.338 1.00 39.39 O ATOM 54 CB ASP A 313 32.496 8.112 48.348 1.00 47.34 C ATOM 55 CG ASP A 313 31.347 7.176 48.670 1.00 58.52 C ATOM 56 OD1 ASP A 313 31.590 5.957 48.785 1.00 65.03 O ATOM 57 OD2 ASP A 313 30.200 7.658 48.798 1.00 60.55 O ATOM 58 H ASP A 313 32.132 9.135 50.669 1.00 0.00 H ATOM 59 N GLN A 314 34.887 10.127 49.013 1.00 40.99 N ATOM 60 CA GLN A 314 36.049 10.873 48.539 1.00 43.78 C ATOM 61 C GLN A 314 37.217 10.727 49.505 1.00 41.47 C ATOM 62 O GLN A 314 38.380 10.767 49.106 1.00 45.79 O ATOM 63 CB GLN A 314 35.707 12.347 48.361 1.00 44.97 C ATOM 64 CG GLN A 314 34.651 12.618 47.314 1.00 49.31 C ATOM 65 CD GLN A 314 34.207 14.061 47.325 1.00 50.00 C ATOM 66 OE1 GLN A 314 34.095 14.675 48.387 1.00 47.01 O ATOM 67 NE2 GLN A 314 33.963 14.618 46.145 1.00 54.16 N ATOM 68 HE22 GLN A 314 34.071 14.060 45.274 1.00 0.00 H ATOM 69 HE21 GLN A 314 33.664 15.613 46.091 1.00 0.00 H ATOM 70 H GLN A 314 34.096 10.636 49.457 1.00 0.00 H ATOM 71 N MET A 315 36.886 10.575 50.781 1.00 32.92 N ATOM 72 CA MET A 315 37.873 10.386 51.835 1.00 28.57 C ATOM 73 C MET A 315 38.639 9.081 51.632 1.00 28.20 C ATOM 74 O MET A 315 39.863 9.047 51.726 1.00 30.58 O ATOM 75 CB MET A 315 37.183 10.404 53.201 1.00 29.40 C ATOM 76 CG MET A 315 38.037 9.913 54.366 1.00 35.91 C ATOM 77 SD MET A 315 39.235 11.124 54.959 1.00 84.45 S ATOM 78 CE MET A 315 38.160 12.507 55.335 1.00 51.89 C ATOM 79 H MET A 315 35.879 10.592 51.039 1.00 0.00 H ATOM 80 N VAL A 316 37.906 8.009 51.351 1.00 32.36 N ATOM 81 CA VAL A 316 38.510 6.719 51.048 1.00 35.25 C ATOM 82 C VAL A 316 39.362 6.815 49.792 1.00 36.34 C ATOM 83 O VAL A 316 40.462 6.258 49.728 1.00 33.06 O ATOM 84 CB VAL A 316 37.444 5.621 50.851 1.00 35.90 C ATOM 85 CG1 VAL A 316 38.092 4.333 50.364 1.00 36.97 C ATOM 86 CG2 VAL A 316 36.677 5.386 52.139 1.00 31.61 C ATOM 87 H VAL A 316 36.869 8.094 51.347 1.00 0.00 H ATOM 88 N SER A 317 38.838 7.528 48.798 1.00 34.81 N ATOM 89 CA SER A 317 39.512 7.695 47.519 1.00 33.75 C ATOM 90 C SER A 317 40.860 8.383 47.682 1.00 32.85 C ATOM 91 O SER A 317 41.860 7.926 47.136 1.00 37.01 O ATOM 92 CB SER A 317 38.634 8.488 46.552 1.00 36.67 C ATOM 93 OG SER A 317 37.417 7.808 46.304 1.00 38.67 O ATOM 94 HG SER A 317 36.927 7.689 47.156 1.00 0.00 H ATOM 95 H SER A 317 37.913 7.982 48.940 1.00 0.00 H ATOM 96 N ALA A 318 40.886 9.481 48.428 1.00 33.91 N ATOM 97 CA ALA A 318 42.136 10.183 48.696 1.00 32.15 C ATOM 98 C ALA A 318 43.133 9.284 49.428 1.00 28.22 C ATOM 99 O ALA A 318 44.309 9.218 49.065 1.00 28.36 O ATOM 100 CB ALA A 318 41.875 11.445 49.502 1.00 36.98 C ATOM 101 H ALA A 318 39.999 9.847 48.829 1.00 0.00 H ATOM 102 N LEU A 319 42.660 8.581 50.454 1.00 23.07 N ATOM 103 CA LEU A 319 43.559 7.756 51.262 1.00 26.58 C ATOM 104 C LEU A 319 44.166 6.617 50.445 1.00 27.84 C ATOM 105 O LEU A 319 45.374 6.386 50.503 1.00 31.58 O ATOM 106 CB LEU A 319 42.828 7.214 52.489 1.00 26.94 C ATOM 107 CG LEU A 319 42.524 8.311 53.513 1.00 32.82 C ATOM 108 CD1 LEU A 319 41.805 7.762 54.742 1.00 30.80 C ATOM 109 CD2 LEU A 319 43.811 9.016 53.905 1.00 35.03 C ATOM 110 H LEU A 319 41.646 8.618 50.683 1.00 0.00 H ATOM 111 N LEU A 320 43.337 5.917 49.678 1.00 30.70 N ATOM 112 CA LEU A 320 43.840 4.884 48.776 1.00 31.55 C ATOM 113 C LEU A 320 44.831 5.474 47.775 1.00 30.19 C ATOM 114 O LEU A 320 45.901 4.908 47.545 1.00 32.76 O ATOM 115 CB LEU A 320 42.688 4.195 48.043 1.00 36.96 C ATOM 116 CG LEU A 320 41.853 3.229 48.884 1.00 34.02 C ATOM 117 CD1 LEU A 320 40.779 2.559 48.040 1.00 36.07 C ATOM 118 CD2 LEU A 320 42.747 2.191 49.535 1.00 27.11 C ATOM 119 H LEU A 320 42.315 6.107 49.720 1.00 0.00 H ATOM 120 N ASP A 321 44.476 6.620 47.196 1.00 27.11 N ATOM 121 CA ASP A 321 45.353 7.315 46.251 1.00 30.67 C ATOM 122 C ASP A 321 46.736 7.567 46.844 1.00 30.68 C ATOM 123 O ASP A 321 47.755 7.410 46.172 1.00 31.13 O ATOM 124 CB ASP A 321 44.733 8.649 45.821 1.00 33.93 C ATOM 125 H ASP A 321 43.549 7.033 47.422 1.00 0.00 H ATOM 126 N ALA A 322 46.756 7.951 48.115 1.00 31.76 N ATOM 127 CA ALA A 322 47.967 8.455 48.751 1.00 32.55 C ATOM 128 C ALA A 322 48.917 7.364 49.237 1.00 32.01 C ATOM 129 O ALA A 322 49.997 7.672 49.740 1.00 31.58 O ATOM 130 CB ALA A 322 47.592 9.359 49.911 1.00 36.59 C ATOM 131 H ALA A 322 45.881 7.890 48.674 1.00 0.00 H ATOM 132 N GLU A 323 48.517 6.106 49.094 1.00 31.90 N ATOM 133 CA GLU A 323 49.291 4.989 49.631 1.00 31.05 C ATOM 134 C GLU A 323 50.726 4.969 49.110 1.00 31.39 C ATOM 135 O GLU A 323 50.957 5.204 47.925 1.00 29.31 O ATOM 136 CB GLU A 323 48.597 3.666 49.307 1.00 29.57 C ATOM 137 CG GLU A 323 47.506 3.307 50.279 1.00 28.01 C ATOM 138 CD GLU A 323 48.075 2.976 51.638 1.00 35.96 C ATOM 139 OE1 GLU A 323 48.456 1.804 51.841 1.00 38.85 O ATOM 140 OE2 GLU A 323 48.167 3.888 52.492 1.00 34.46 O ATOM 141 H GLU A 323 47.630 5.911 48.587 1.00 0.00 H ATOM 142 N PRO A 324 51.697 4.719 49.993 1.00 29.82 N ATOM 143 CA PRO A 324 53.074 4.590 49.505 1.00 30.72 C ATOM 144 C PRO A 324 53.312 3.247 48.832 1.00 34.58 C ATOM 145 O PRO A 324 52.558 2.303 49.056 1.00 35.44 O ATOM 146 CB PRO A 324 53.921 4.722 50.774 1.00 29.23 C ATOM 147 CG PRO A 324 53.009 4.318 51.884 1.00 30.17 C ATOM 148 CD PRO A 324 51.640 4.787 51.467 1.00 31.08 C ATOM 149 N PRO A 325 54.360 3.163 48.009 1.00 35.69 N ATOM 150 CA PRO A 325 54.742 1.905 47.371 1.00 31.98 C ATOM 151 C PRO A 325 55.340 0.922 48.364 1.00 28.47 C ATOM 152 O PRO A 325 55.836 1.317 49.422 1.00 28.09 O ATOM 153 CB PRO A 325 55.797 2.337 46.353 1.00 28.84 C ATOM 154 CG PRO A 325 56.407 3.543 46.966 1.00 27.75 C ATOM 155 CD PRO A 325 55.259 4.264 47.626 1.00 30.39 C ATOM 156 N ILE A 326 55.280 -0.355 48.015 1.00 25.86 N ATOM 157 CA ILE A 326 56.001 -1.378 48.742 1.00 25.63 C ATOM 158 C ILE A 326 57.451 -1.352 48.254 1.00 28.29 C ATOM 159 O ILE A 326 57.710 -1.423 47.054 1.00 33.94 O ATOM 160 CB ILE A 326 55.358 -2.761 48.531 1.00 32.05 C ATOM 161 CG1 ILE A 326 53.838 -2.650 48.699 1.00 37.33 C ATOM 162 CG2 ILE A 326 55.940 -3.784 49.494 1.00 35.66 C ATOM 163 CD1 ILE A 326 53.134 -3.971 48.961 1.00 41.28 C ATOM 164 H ILE A 326 54.699 -0.629 47.197 1.00 0.00 H ATOM 165 N LEU A 327 58.394 -1.215 49.180 1.00 25.34 N ATOM 166 CA LEU A 327 59.801 -1.105 48.803 1.00 24.42 C ATOM 167 C LEU A 327 60.522 -2.447 48.953 1.00 27.72 C ATOM 168 O LEU A 327 60.055 -3.332 49.666 1.00 28.19 O ATOM 169 CB LEU A 327 60.500 -0.034 49.645 1.00 26.79 C ATOM 170 CG LEU A 327 59.974 1.405 49.602 1.00 24.03 C ATOM 171 CD1 LEU A 327 60.826 2.307 50.473 1.00 23.61 C ATOM 172 CD2 LEU A 327 59.916 1.941 48.174 1.00 22.83 C ATOM 173 H LEU A 327 58.127 -1.186 50.185 1.00 0.00 H ATOM 174 N TYR A 328 61.653 -2.591 48.270 1.00 28.67 N ATOM 175 CA TYR A 328 62.483 -3.782 48.411 1.00 24.60 C ATOM 176 C TYR A 328 63.639 -3.535 49.370 1.00 25.22 C ATOM 177 O TYR A 328 64.051 -2.397 49.589 1.00 28.28 O ATOM 178 CB TYR A 328 63.013 -4.240 47.047 1.00 24.91 C ATOM 179 CG TYR A 328 61.987 -5.005 46.240 1.00 28.17 C ATOM 180 CD1 TYR A 328 60.933 -4.347 45.617 1.00 32.74 C ATOM 181 CD2 TYR A 328 62.063 -6.385 46.114 1.00 35.10 C ATOM 182 CE1 TYR A 328 59.988 -5.042 44.884 1.00 37.00 C ATOM 183 CE2 TYR A 328 61.122 -7.087 45.384 1.00 39.16 C ATOM 184 CZ TYR A 328 60.087 -6.413 44.772 1.00 42.55 C ATOM 185 OH TYR A 328 59.149 -7.106 44.050 1.00 50.45 O ATOM 186 HH TYR A 328 58.483 -6.472 43.682 1.00 0.00 H ATOM 187 H TYR A 328 61.953 -1.837 47.620 1.00 0.00 H ATOM 188 N SER A 329 64.149 -4.613 49.949 1.00 28.72 N ATOM 189 CA SER A 329 65.319 -4.532 50.805 1.00 25.69 C ATOM 190 C SER A 329 66.547 -4.895 50.004 1.00 27.85 C ATOM 191 O SER A 329 66.448 -5.475 48.926 1.00 29.68 O ATOM 192 CB SER A 329 65.187 -5.469 52.001 1.00 25.71 C ATOM 193 OG SER A 329 65.416 -6.808 51.594 1.00 24.81 O ATOM 194 HG SER A 329 64.751 -7.061 50.906 1.00 0.00 H ATOM 195 H SER A 329 63.701 -5.537 49.786 1.00 0.00 H ATOM 196 N GLU A 330 67.709 -4.585 50.534 1.00 31.89 N ATOM 197 CA GLU A 330 68.930 -4.943 49.841 1.00 36.65 C ATOM 198 C GLU A 330 69.425 -6.307 50.333 1.00 35.74 C ATOM 199 O GLU A 330 70.624 -6.591 50.299 1.00 36.27 O ATOM 200 CB GLU A 330 69.972 -3.848 50.041 1.00 44.96 C ATOM 201 CG GLU A 330 69.892 -3.222 51.418 1.00 55.46 C ATOM 202 CD GLU A 330 70.822 -2.041 51.586 1.00 62.73 C ATOM 203 OE1 GLU A 330 71.295 -1.822 52.722 1.00 65.62 O ATOM 204 OE2 GLU A 330 71.075 -1.332 50.587 1.00 62.84 O ATOM 205 H GLU A 330 67.752 -4.086 51.445 1.00 0.00 H ATOM 206 N TYR A 331 68.488 -7.149 50.772 1.00 33.18 N ATOM 207 CA TYR A 331 68.805 -8.477 51.315 1.00 32.89 C ATOM 208 C TYR A 331 69.679 -9.289 50.368 1.00 35.05 C ATOM 209 O TYR A 331 69.371 -9.427 49.184 1.00 35.01 O ATOM 210 CB TYR A 331 67.522 -9.259 51.634 1.00 31.69 C ATOM 211 CG TYR A 331 67.737 -10.743 51.911 1.00 33.52 C ATOM 212 CD1 TYR A 331 68.636 -11.171 52.882 1.00 35.95 C ATOM 213 CD2 TYR A 331 67.029 -11.712 51.210 1.00 34.39 C ATOM 214 CE1 TYR A 331 68.833 -12.523 53.138 1.00 36.13 C ATOM 215 CE2 TYR A 331 67.220 -13.071 51.459 1.00 34.51 C ATOM 216 CZ TYR A 331 68.121 -13.467 52.425 1.00 35.23 C ATOM 217 OH TYR A 331 68.317 -14.805 52.681 1.00 40.13 O ATOM 218 HH TYR A 331 68.992 -14.907 53.398 1.00 0.00 H ATOM 219 H TYR A 331 67.492 -6.853 50.728 1.00 0.00 H ATOM 220 N ASP A 332 70.767 -9.820 50.917 1.00 39.29 N ATOM 221 CA ASP A 332 71.756 -10.581 50.164 1.00 40.76 C ATOM 222 C ASP A 332 71.717 -12.052 50.562 1.00 41.88 C ATOM 223 O ASP A 332 72.268 -12.439 51.596 1.00 42.70 O ATOM 224 CB ASP A 332 73.150 -10.000 50.400 1.00 41.41 C ATOM 225 CG ASP A 332 74.246 -10.820 49.750 1.00 43.86 C ATOM 226 OD1 ASP A 332 73.995 -11.433 48.688 1.00 41.99 O ATOM 227 OD2 ASP A 332 75.367 -10.842 50.301 1.00 48.40 O ATOM 228 H ASP A 332 70.920 -9.685 51.937 1.00 0.00 H ATOM 229 N PRO A 333 71.063 -12.884 49.740 1.00 40.07 N ATOM 230 CA PRO A 333 70.890 -14.293 50.112 1.00 38.28 C ATOM 231 C PRO A 333 72.150 -15.136 49.925 1.00 38.53 C ATOM 232 O PRO A 333 72.073 -16.348 50.047 1.00 40.63 O ATOM 233 CB PRO A 333 69.770 -14.766 49.179 1.00 38.86 C ATOM 234 CG PRO A 333 69.868 -13.870 47.989 1.00 43.05 C ATOM 235 CD PRO A 333 70.371 -12.543 48.483 1.00 39.09 C ATOM 236 N THR A 334 73.297 -14.530 49.649 1.00 36.76 N ATOM 237 CA THR A 334 74.516 -15.331 49.527 1.00 34.40 C ATOM 238 C THR A 334 75.048 -15.753 50.895 1.00 32.63 C ATOM 239 O THR A 334 75.827 -16.703 50.999 1.00 35.98 O ATOM 240 CB THR A 334 75.631 -14.581 48.776 1.00 38.42 C ATOM 241 OG1 THR A 334 75.873 -13.317 49.412 1.00 32.13 O ATOM 242 CG2 THR A 334 75.244 -14.356 47.319 1.00 41.14 C ATOM 243 HG1 THR A 334 75.044 -12.777 49.396 1.00 0.00 H ATOM 244 H THR A 334 73.330 -13.498 49.521 1.00 0.00 H ATOM 245 N ARG A 335 74.627 -15.054 51.944 1.00 32.46 N ATOM 246 CA ARG A 335 75.181 -15.287 53.275 1.00 36.47 C ATOM 247 C ARG A 335 74.111 -15.353 54.360 1.00 33.93 C ATOM 248 O ARG A 335 73.046 -14.745 54.231 1.00 29.97 O ATOM 249 CB ARG A 335 76.194 -14.190 53.615 1.00 41.27 C ATOM 250 H ARG A 335 73.892 -14.330 51.815 1.00 0.00 H ATOM 251 N PRO A 336 74.404 -16.085 55.445 1.00 31.12 N ATOM 252 CA PRO A 336 73.485 -16.154 56.588 1.00 30.86 C ATOM 253 C PRO A 336 73.388 -14.815 57.322 1.00 32.34 C ATOM 254 O PRO A 336 74.258 -13.960 57.153 1.00 29.19 O ATOM 255 CB PRO A 336 74.098 -17.240 57.490 1.00 31.44 C ATOM 256 CG PRO A 336 75.457 -17.535 56.950 1.00 43.25 C ATOM 257 CD PRO A 336 75.696 -16.743 55.704 1.00 46.71 C ATOM 258 N PHE A 337 72.332 -14.631 58.110 1.00 34.89 N ATOM 259 CA PHE A 337 72.142 -13.392 58.860 1.00 34.23 C ATOM 260 C PHE A 337 73.068 -13.308 60.059 1.00 38.24 C ATOM 261 O PHE A 337 73.402 -14.323 60.671 1.00 40.95 O ATOM 262 CB PHE A 337 70.698 -13.260 59.358 1.00 36.07 C ATOM 263 CG PHE A 337 69.695 -13.004 58.276 1.00 35.11 C ATOM 264 CD1 PHE A 337 69.653 -11.784 57.619 1.00 34.68 C ATOM 265 CD2 PHE A 337 68.773 -13.975 57.933 1.00 34.36 C ATOM 266 CE1 PHE A 337 68.722 -11.550 56.627 1.00 32.60 C ATOM 267 CE2 PHE A 337 67.838 -13.747 56.942 1.00 33.69 C ATOM 268 CZ PHE A 337 67.814 -12.536 56.290 1.00 34.11 C ATOM 269 H PHE A 337 71.624 -15.388 58.194 1.00 0.00 H ATOM 270 N SER A 338 73.472 -12.090 60.401 1.00 36.25 N ATOM 271 CA SER A 338 74.044 -11.824 61.715 1.00 31.47 C ATOM 272 C SER A 338 73.204 -10.735 62.371 1.00 26.10 C ATOM 273 O SER A 338 72.349 -10.130 61.722 1.00 26.46 O ATOM 274 CB SER A 338 75.508 -11.403 61.617 1.00 34.30 C ATOM 275 OG SER A 338 75.631 -10.137 60.996 1.00 36.81 O ATOM 276 HG SER A 338 76.588 -9.887 60.945 1.00 0.00 H ATOM 277 H SER A 338 73.378 -11.311 59.718 1.00 0.00 H ATOM 278 N GLU A 339 73.431 -10.482 63.653 1.00 26.25 N ATOM 279 CA GLU A 339 72.665 -9.448 64.339 1.00 25.60 C ATOM 280 C GLU A 339 72.833 -8.105 63.627 1.00 24.59 C ATOM 281 O GLU A 339 71.860 -7.381 63.392 1.00 23.44 O ATOM 282 CB GLU A 339 73.093 -9.345 65.808 1.00 28.07 C ATOM 283 CG GLU A 339 72.472 -8.172 66.545 1.00 30.81 C ATOM 284 CD GLU A 339 72.645 -8.276 68.052 1.00 41.51 C ATOM 285 OE1 GLU A 339 73.731 -7.920 68.561 1.00 41.95 O ATOM 286 OE2 GLU A 339 71.693 -8.721 68.727 1.00 47.73 O ATOM 287 H GLU A 339 74.155 -11.021 64.169 1.00 0.00 H ATOM 288 N ALA A 340 74.068 -7.798 63.249 1.00 25.53 N ATOM 289 CA ALA A 340 74.365 -6.537 62.583 1.00 27.90 C ATOM 290 C ALA A 340 73.788 -6.475 61.171 1.00 26.75 C ATOM 291 O ALA A 340 73.228 -5.450 60.784 1.00 26.60 O ATOM 292 CB ALA A 340 75.874 -6.300 62.547 1.00 26.62 C ATOM 293 H ALA A 340 74.839 -8.471 63.432 1.00 0.00 H ATOM 294 N SER A 341 73.915 -7.551 60.397 1.00 25.18 N ATOM 295 CA SER A 341 73.454 -7.497 59.006 1.00 24.80 C ATOM 296 C SER A 341 71.935 -7.451 58.950 1.00 23.52 C ATOM 297 O SER A 341 71.353 -6.793 58.095 1.00 23.47 O ATOM 298 CB SER A 341 73.971 -8.691 58.193 1.00 25.83 C ATOM 299 OG SER A 341 73.196 -9.859 58.415 1.00 31.28 O ATOM 300 HG SER A 341 73.230 -10.099 59.375 1.00 0.00 H ATOM 301 H SER A 341 74.338 -8.422 60.776 1.00 0.00 H ATOM 302 N MET A 342 71.291 -8.132 59.865 1.00 23.25 N ATOM 303 CA MET A 342 69.849 -8.122 59.884 1.00 25.12 C ATOM 304 C MET A 342 69.315 -6.752 60.349 1.00 25.11 C ATOM 305 O MET A 342 68.413 -6.182 59.723 1.00 25.47 O ATOM 306 CB MET A 342 69.385 -9.263 60.763 1.00 26.37 C ATOM 307 CG MET A 342 68.233 -8.937 61.581 1.00 31.29 C ATOM 308 SD MET A 342 66.858 -9.495 60.614 1.00 58.03 S ATOM 309 CE MET A 342 66.336 -10.771 61.737 1.00 25.23 C ATOM 310 H MET A 342 71.818 -8.678 60.576 1.00 0.00 H ATOM 311 N MET A 343 69.897 -6.206 61.414 1.00 25.53 N ATOM 312 CA MET A 343 69.524 -4.867 61.866 1.00 25.43 C ATOM 313 C MET A 343 69.826 -3.844 60.776 1.00 25.14 C ATOM 314 O MET A 343 69.110 -2.847 60.630 1.00 20.50 O ATOM 315 CB MET A 343 70.250 -4.491 63.162 1.00 23.92 C ATOM 316 CG MET A 343 69.608 -5.045 64.433 1.00 26.34 C ATOM 317 SD MET A 343 67.843 -4.676 64.605 1.00 26.21 S ATOM 318 CE MET A 343 67.846 -2.884 64.520 1.00 24.33 C ATOM 319 H MET A 343 70.626 -6.738 61.931 1.00 0.00 H ATOM 320 N GLY A 344 70.886 -4.099 60.013 1.00 21.47 N ATOM 321 CA GLY A 344 71.253 -3.247 58.900 1.00 27.75 C ATOM 322 C GLY A 344 70.183 -3.213 57.822 1.00 26.05 C ATOM 323 O GLY A 344 69.781 -2.140 57.374 1.00 21.87 O ATOM 324 H GLY A 344 71.468 -4.935 60.222 1.00 0.00 H ATOM 325 N LEU A 345 69.721 -4.385 57.397 1.00 24.37 N ATOM 326 CA LEU A 345 68.673 -4.469 56.378 1.00 20.39 C ATOM 327 C LEU A 345 67.404 -3.754 56.828 1.00 19.30 C ATOM 328 O LEU A 345 66.813 -2.986 56.074 1.00 25.52 O ATOM 329 CB LEU A 345 68.328 -5.925 56.048 1.00 20.72 C ATOM 330 CG LEU A 345 69.338 -6.911 55.464 1.00 22.96 C ATOM 331 CD1 LEU A 345 68.671 -8.276 55.306 1.00 22.06 C ATOM 332 CD2 LEU A 345 69.885 -6.414 54.131 1.00 29.90 C ATOM 333 H LEU A 345 70.113 -5.261 57.797 1.00 0.00 H ATOM 334 N LEU A 346 66.992 -4.025 58.064 1.00 18.93 N ATOM 335 CA LEU A 346 65.724 -3.501 58.573 1.00 20.22 C ATOM 336 C LEU A 346 65.714 -1.981 58.687 1.00 21.89 C ATOM 337 O LEU A 346 64.717 -1.340 58.349 1.00 17.68 O ATOM 338 CB LEU A 346 65.398 -4.116 59.935 1.00 22.44 C ATOM 339 CG LEU A 346 65.132 -5.621 59.958 1.00 23.80 C ATOM 340 CD1 LEU A 346 64.881 -6.087 61.374 1.00 22.89 C ATOM 341 CD2 LEU A 346 63.948 -5.969 59.063 1.00 24.57 C ATOM 342 H LEU A 346 67.582 -4.620 58.680 1.00 0.00 H ATOM 343 N THR A 347 66.810 -1.405 59.172 1.00 25.29 N ATOM 344 CA THR A 347 66.889 0.042 59.345 1.00 21.68 C ATOM 345 C THR A 347 67.161 0.753 58.026 1.00 18.13 C ATOM 346 O THR A 347 66.743 1.895 57.843 1.00 17.81 O ATOM 347 CB THR A 347 67.976 0.453 60.360 1.00 22.44 C ATOM 348 OG1 THR A 347 69.210 -0.181 60.008 1.00 19.43 O ATOM 349 CG2 THR A 347 67.583 0.035 61.773 1.00 26.77 C ATOM 350 HG1 THR A 347 69.092 -1.164 60.026 1.00 0.00 H ATOM 351 H THR A 347 67.625 -1.996 59.433 1.00 0.00 H ATOM 352 N ASN A 348 67.876 0.098 57.113 1.00 19.34 N ATOM 353 CA ASN A 348 68.025 0.661 55.773 1.00 21.06 C ATOM 354 C ASN A 348 66.653 0.768 55.118 1.00 19.32 C ATOM 355 O ASN A 348 66.333 1.768 54.472 1.00 25.41 O ATOM 356 CB ASN A 348 68.970 -0.176 54.908 1.00 23.58 C ATOM 357 CG ASN A 348 69.196 0.435 53.527 1.00 37.05 C ATOM 358 OD1 ASN A 348 68.431 0.189 52.595 1.00 39.01 O ATOM 359 ND2 ASN A 348 70.249 1.235 53.398 1.00 46.80 N ATOM 360 HD22 ASN A 348 70.869 1.414 54.214 1.00 0.00 H ATOM 361 HD21 ASN A 348 70.453 1.682 52.481 1.00 0.00 H ATOM 362 H ASN A 348 68.326 -0.809 57.352 1.00 0.00 H ATOM 363 N LEU A 349 65.840 -0.269 55.310 1.00 19.46 N ATOM 364 CA LEU A 349 64.480 -0.301 54.787 1.00 19.56 C ATOM 365 C LEU A 349 63.604 0.764 55.447 1.00 19.82 C ATOM 366 O LEU A 349 62.906 1.512 54.764 1.00 20.76 O ATOM 367 CB LEU A 349 63.871 -1.696 54.988 1.00 19.00 C ATOM 368 CG LEU A 349 62.419 -1.914 54.547 1.00 21.35 C ATOM 369 CD1 LEU A 349 62.273 -1.843 53.024 1.00 17.81 C ATOM 370 CD2 LEU A 349 61.894 -3.238 55.080 1.00 28.80 C ATOM 371 H LEU A 349 66.188 -1.085 55.853 1.00 0.00 H ATOM 372 N ALA A 350 63.648 0.832 56.776 1.00 21.13 N ATOM 373 CA ALA A 350 62.870 1.823 57.518 1.00 20.03 C ATOM 374 C ALA A 350 63.217 3.226 57.059 1.00 21.41 C ATOM 375 O ALA A 350 62.340 4.067 56.880 1.00 25.54 O ATOM 376 CB ALA A 350 63.113 1.689 59.019 1.00 18.53 C ATOM 377 H ALA A 350 64.250 0.164 57.299 1.00 0.00 H ATOM 378 N ASP A 351 64.505 3.476 56.865 1.00 16.72 N ATOM 379 CA ASP A 351 64.938 4.805 56.468 1.00 21.52 C ATOM 380 C ASP A 351 64.359 5.195 55.108 1.00 18.79 C ATOM 381 O ASP A 351 63.916 6.325 54.920 1.00 21.76 O ATOM 382 CB ASP A 351 66.453 4.899 56.428 1.00 27.24 C ATOM 383 CG ASP A 351 66.925 6.211 55.850 1.00 44.32 C ATOM 384 OD1 ASP A 351 66.980 7.207 56.604 1.00 50.93 O ATOM 385 OD2 ASP A 351 67.208 6.247 54.633 1.00 49.72 O ATOM 386 H ASP A 351 65.206 2.719 56.997 1.00 0.00 H ATOM 387 N ARG A 352 64.351 4.272 54.160 1.00 17.23 N ATOM 388 CA ARG A 352 63.807 4.596 52.851 1.00 17.37 C ATOM 389 C ARG A 352 62.291 4.710 52.908 1.00 16.72 C ATOM 390 O ARG A 352 61.695 5.517 52.205 1.00 21.73 O ATOM 391 CB ARG A 352 64.249 3.565 51.816 1.00 17.89 C ATOM 392 CG ARG A 352 65.629 3.875 51.243 1.00 24.77 C ATOM 393 CD ARG A 352 66.093 2.799 50.279 1.00 28.82 C ATOM 394 NE ARG A 352 66.213 1.513 50.953 1.00 30.70 N ATOM 395 CZ ARG A 352 65.585 0.405 50.575 1.00 29.94 C ATOM 396 NH1 ARG A 352 64.786 0.412 49.517 1.00 27.92 N ATOM 397 NH2 ARG A 352 65.762 -0.714 51.265 1.00 27.11 N ATOM 398 HE ARG A 352 66.832 1.459 51.787 1.00 0.00 H ATOM 399 HH12 ARG A 352 64.298 -0.460 49.228 1.00 0.00 H ATOM 400 HH11 ARG A 352 64.647 1.289 48.976 1.00 0.00 H ATOM 401 HH22 ARG A 352 65.274 -1.586 50.976 1.00 0.00 H ATOM 402 HH21 ARG A 352 66.389 -0.719 52.095 1.00 0.00 H ATOM 403 H ARG A 352 64.731 3.323 54.350 1.00 0.00 H ATOM 404 N GLU A 353 61.668 3.905 53.763 1.00 16.19 N ATOM 405 CA GLU A 353 60.228 3.958 53.926 1.00 19.84 C ATOM 406 C GLU A 353 59.805 5.286 54.532 1.00 18.50 C ATOM 407 O GLU A 353 58.782 5.849 54.154 1.00 19.28 O ATOM 408 CB GLU A 353 59.745 2.804 54.806 1.00 19.88 C ATOM 409 CG GLU A 353 59.526 1.471 54.115 1.00 24.25 C ATOM 410 CD GLU A 353 58.869 0.342 55.050 1.00 43.45 C ATOM 411 OE1 GLU A 353 59.421 -0.296 56.022 1.00 48.43 O ATOM 412 OE2 GLU A 353 57.703 0.116 54.748 1.00 37.92 O ATOM 413 H GLU A 353 62.222 3.227 54.324 1.00 0.00 H ATOM 414 N LEU A 354 60.601 5.789 55.470 1.00 16.18 N ATOM 415 CA LEU A 354 60.299 7.054 56.122 1.00 18.96 C ATOM 416 C LEU A 354 60.179 8.203 55.125 1.00 19.27 C ATOM 417 O LEU A 354 59.352 9.101 55.300 1.00 15.58 O ATOM 418 CB LEU A 354 61.361 7.375 57.169 1.00 18.00 C ATOM 419 CG LEU A 354 61.063 6.805 58.555 1.00 23.98 C ATOM 420 CD1 LEU A 354 62.251 6.980 59.482 1.00 26.72 C ATOM 421 CD2 LEU A 354 59.832 7.483 59.134 1.00 29.92 C ATOM 422 H LEU A 354 61.458 5.267 55.744 1.00 0.00 H ATOM 423 N VAL A 355 60.991 8.171 54.082 1.00 23.45 N ATOM 424 CA VAL A 355 60.950 9.221 53.075 1.00 22.99 C ATOM 425 C VAL A 355 59.600 9.212 52.345 1.00 18.87 C ATOM 426 O VAL A 355 59.008 10.259 52.124 1.00 19.13 O ATOM 427 CB VAL A 355 62.121 9.081 52.081 1.00 25.08 C ATOM 428 CG1 VAL A 355 61.995 10.101 50.968 1.00 24.92 C ATOM 429 CG2 VAL A 355 63.447 9.255 52.809 1.00 27.36 C ATOM 430 H VAL A 355 61.666 7.387 53.980 1.00 0.00 H ATOM 431 N HIS A 356 59.098 8.034 51.993 1.00 20.67 N ATOM 432 CA HIS A 356 57.771 7.935 51.382 1.00 20.51 C ATOM 433 C HIS A 356 56.652 8.241 52.377 1.00 20.01 C ATOM 434 O HIS A 356 55.574 8.702 51.994 1.00 19.34 O ATOM 435 CB HIS A 356 57.560 6.543 50.782 1.00 22.83 C ATOM 436 CG HIS A 356 58.454 6.249 49.620 1.00 26.71 C ATOM 437 ND1 HIS A 356 58.117 6.566 48.322 1.00 32.19 N ATOM 438 CD2 HIS A 356 59.684 5.687 49.564 1.00 24.96 C ATOM 439 CE1 HIS A 356 59.098 6.208 47.516 1.00 36.01 C ATOM 440 NE2 HIS A 356 60.061 5.673 48.243 1.00 31.64 N ATOM 441 H HIS A 356 59.655 7.170 52.153 1.00 0.00 H ATOM 442 N MET A 357 56.903 7.968 53.651 1.00 20.40 N ATOM 443 CA MET A 357 55.921 8.237 54.694 1.00 20.31 C ATOM 444 C MET A 357 55.664 9.737 54.812 1.00 18.00 C ATOM 445 O MET A 357 54.533 10.183 55.016 1.00 15.48 O ATOM 446 CB MET A 357 56.392 7.675 56.037 1.00 21.78 C ATOM 447 CG MET A 357 55.334 7.729 57.128 1.00 22.67 C ATOM 448 SD MET A 357 55.971 7.298 58.750 1.00 21.59 S ATOM 449 CE MET A 357 56.547 5.602 58.456 1.00 13.61 C ATOM 450 H MET A 357 57.820 7.553 53.911 1.00 0.00 H ATOM 451 N ILE A 358 56.732 10.518 54.684 1.00 15.45 N ATOM 452 CA ILE A 358 56.625 11.967 54.776 1.00 17.76 C ATOM 453 C ILE A 358 55.697 12.519 53.696 1.00 20.19 C ATOM 454 O ILE A 358 54.852 13.369 53.981 1.00 16.30 O ATOM 455 CB ILE A 358 58.007 12.633 54.673 1.00 22.93 C ATOM 456 CG1 ILE A 358 58.816 12.357 55.940 1.00 28.08 C ATOM 457 CG2 ILE A 358 57.857 14.135 54.459 1.00 25.10 C ATOM 458 CD1 ILE A 358 60.245 12.858 55.889 1.00 33.51 C ATOM 459 H ILE A 358 57.662 10.085 54.515 1.00 0.00 H ATOM 460 N ASN A 359 55.838 12.022 52.469 1.00 24.58 N ATOM 461 CA ASN A 359 54.954 12.397 51.363 1.00 26.70 C ATOM 462 C ASN A 359 53.524 11.945 51.548 1.00 23.58 C ATOM 463 O ASN A 359 52.588 12.659 51.187 1.00 24.93 O ATOM 464 CB ASN A 359 55.447 11.817 50.047 1.00 30.11 C ATOM 465 CG ASN A 359 56.798 12.321 49.665 1.00 34.07 C ATOM 466 OD1 ASN A 359 57.223 13.390 50.096 1.00 31.87 O ATOM 467 ND2 ASN A 359 57.491 11.554 48.846 1.00 41.09 N ATOM 468 HD22 ASN A 359 57.088 10.657 48.508 1.00 0.00 H ATOM 469 HD21 ASN A 359 58.440 11.846 48.538 1.00 0.00 H ATOM 470 H ASN A 359 56.604 11.342 52.289 1.00 0.00 H ATOM 471 N TRP A 360 53.362 10.734 52.065 1.00 21.93 N ATOM 472 CA TRP A 360 52.038 10.199 52.302 1.00 19.76 C ATOM 473 C TRP A 360 51.326 11.058 53.327 1.00 21.50 C ATOM 474 O TRP A 360 50.158 11.396 53.156 1.00 24.65 O ATOM 475 CB TRP A 360 52.101 8.743 52.773 1.00 17.87 C ATOM 476 CG TRP A 360 50.863 8.302 53.499 1.00 14.91 C ATOM 477 CD1 TRP A 360 49.701 7.871 52.941 1.00 15.14 C ATOM 478 CD2 TRP A 360 50.671 8.255 54.918 1.00 14.38 C ATOM 479 NE1 TRP A 360 48.793 7.557 53.919 1.00 14.79 N ATOM 480 CE2 TRP A 360 49.362 7.784 55.145 1.00 14.31 C ATOM 481 CE3 TRP A 360 51.479 8.562 56.019 1.00 14.07 C ATOM 482 CZ2 TRP A 360 48.842 7.603 56.428 1.00 17.97 C ATOM 483 CZ3 TRP A 360 50.961 8.388 57.300 1.00 13.68 C ATOM 484 CH2 TRP A 360 49.654 7.908 57.492 1.00 13.58 C ATOM 485 HE1 TRP A 360 47.828 7.204 53.757 1.00 0.00 H ATOM 486 H TRP A 360 54.197 10.162 52.303 1.00 0.00 H ATOM 487 N ALA A 361 52.040 11.417 54.391 1.00 20.07 N ATOM 488 CA ALA A 361 51.436 12.192 55.468 1.00 19.71 C ATOM 489 C ALA A 361 50.935 13.535 54.946 1.00 20.62 C ATOM 490 O ALA A 361 49.860 13.986 55.324 1.00 22.22 O ATOM 491 CB ALA A 361 52.415 12.389 56.608 1.00 18.63 C ATOM 492 H ALA A 361 53.041 11.141 54.455 1.00 0.00 H ATOM 493 N LYS A 362 51.695 14.153 54.047 1.00 18.90 N ATOM 494 CA LYS A 362 51.303 15.450 53.500 1.00 23.79 C ATOM 495 C LYS A 362 50.038 15.340 52.652 1.00 28.12 C ATOM 496 O LYS A 362 49.443 16.350 52.279 1.00 32.05 O ATOM 497 CB LYS A 362 52.452 16.051 52.687 1.00 25.75 C ATOM 498 CG LYS A 362 53.628 16.488 53.554 1.00 28.35 C ATOM 499 CD LYS A 362 54.859 16.840 52.734 1.00 29.49 C ATOM 500 CE LYS A 362 54.631 18.077 51.879 1.00 31.87 C ATOM 501 NZ LYS A 362 55.898 18.533 51.236 1.00 36.02 N ATOM 502 HZ1 LYS A 362 56.596 18.763 51.972 1.00 0.00 H ATOM 503 HZ2 LYS A 362 56.270 17.775 50.629 1.00 0.00 H ATOM 504 HZ3 LYS A 362 55.708 19.378 50.660 1.00 0.00 H ATOM 505 H LYS A 362 52.579 13.708 53.729 1.00 0.00 H ATOM 506 N ARG A 363 49.614 14.118 52.372 1.00 31.86 N ATOM 507 CA ARG A 363 48.427 13.907 51.553 1.00 31.72 C ATOM 508 C ARG A 363 47.235 13.452 52.386 1.00 34.38 C ATOM 509 O ARG A 363 46.124 13.334 51.875 1.00 34.72 O ATOM 510 CB ARG A 363 48.723 12.902 50.440 1.00 25.39 C ATOM 511 CG ARG A 363 49.261 13.578 49.198 1.00 30.12 C ATOM 512 CD ARG A 363 50.096 12.667 48.306 1.00 36.74 C ATOM 513 NE ARG A 363 49.325 11.780 47.430 1.00 43.47 N ATOM 514 CZ ARG A 363 48.271 12.141 46.699 1.00 46.20 C ATOM 515 NH1 ARG A 363 47.666 11.244 45.929 1.00 34.57 N ATOM 516 NH2 ARG A 363 47.817 13.387 46.728 1.00 55.96 N ATOM 517 HE ARG A 363 49.626 10.786 47.374 1.00 0.00 H ATOM 518 HH12 ARG A 363 46.843 11.521 45.357 1.00 0.00 H ATOM 519 HH11 ARG A 363 48.015 10.265 45.898 1.00 0.00 H ATOM 520 HH22 ARG A 363 46.993 13.654 46.152 1.00 0.00 H ATOM 521 HH21 ARG A 363 48.285 14.097 47.327 1.00 0.00 H ATOM 522 H ARG A 363 50.135 13.297 52.741 1.00 0.00 H ATOM 523 N VAL A 364 47.464 13.206 53.670 1.00 30.90 N ATOM 524 CA VAL A 364 46.368 12.884 54.571 1.00 29.59 C ATOM 525 C VAL A 364 45.586 14.159 54.885 1.00 32.69 C ATOM 526 O VAL A 364 46.160 15.141 55.355 1.00 30.37 O ATOM 527 CB VAL A 364 46.872 12.238 55.872 1.00 27.64 C ATOM 528 CG1 VAL A 364 45.728 12.068 56.858 1.00 25.66 C ATOM 529 CG2 VAL A 364 47.534 10.900 55.575 1.00 21.82 C ATOM 530 H VAL A 364 48.437 13.244 54.036 1.00 0.00 H ATOM 531 N PRO A 365 44.275 14.153 54.594 1.00 34.90 N ATOM 532 CA PRO A 365 43.378 15.290 54.824 1.00 33.17 C ATOM 533 C PRO A 365 43.612 16.012 56.145 1.00 32.64 C ATOM 534 O PRO A 365 43.563 15.406 57.215 1.00 32.29 O ATOM 535 CB PRO A 365 41.998 14.639 54.794 1.00 32.44 C ATOM 536 CG PRO A 365 42.154 13.587 53.735 1.00 32.63 C ATOM 537 CD PRO A 365 43.586 13.066 53.873 1.00 31.70 C ATOM 538 N GLY A 366 43.881 17.309 56.052 1.00 34.78 N ATOM 539 CA GLY A 366 44.080 18.131 57.227 1.00 34.89 C ATOM 540 C GLY A 366 45.514 18.192 57.721 1.00 34.13 C ATOM 541 O GLY A 366 45.852 19.072 58.515 1.00 33.32 O ATOM 542 H GLY A 366 43.951 17.746 55.111 1.00 0.00 H ATOM 543 N PHE A 367 46.363 17.274 57.270 1.00 30.60 N ATOM 544 CA PHE A 367 47.731 17.240 57.772 1.00 28.91 C ATOM 545 C PHE A 367 48.526 18.469 57.328 1.00 28.93 C ATOM 546 O PHE A 367 49.218 19.075 58.139 1.00 27.69 O ATOM 547 CB PHE A 367 48.450 15.959 57.339 1.00 27.02 C ATOM 548 CG PHE A 367 49.810 15.777 57.976 1.00 22.07 C ATOM 549 CD1 PHE A 367 49.940 15.189 59.228 1.00 21.98 C ATOM 550 CD2 PHE A 367 50.959 16.193 57.321 1.00 17.64 C ATOM 551 CE1 PHE A 367 51.193 15.020 59.815 1.00 16.12 C ATOM 552 CE2 PHE A 367 52.206 16.025 57.894 1.00 21.43 C ATOM 553 CZ PHE A 367 52.322 15.434 59.145 1.00 15.65 C ATOM 554 H PHE A 367 46.052 16.581 56.560 1.00 0.00 H ATOM 555 N VAL A 368 48.423 18.860 56.059 1.00 30.38 N ATOM 556 CA VAL A 368 49.210 20.003 55.588 1.00 37.04 C ATOM 557 C VAL A 368 48.667 21.345 56.092 1.00 41.70 C ATOM 558 O VAL A 368 49.290 22.384 55.879 1.00 48.19 O ATOM 559 CB VAL A 368 49.308 20.056 54.038 1.00 40.74 C ATOM 560 CG1 VAL A 368 50.317 19.041 53.528 1.00 43.93 C ATOM 561 CG2 VAL A 368 47.947 19.864 53.387 1.00 40.83 C ATOM 562 H VAL A 368 47.788 18.357 55.406 1.00 0.00 H ATOM 563 N ASP A 369 47.515 21.326 56.763 1.00 35.99 N ATOM 564 CA ASP A 369 46.973 22.539 57.383 1.00 34.94 C ATOM 565 C ASP A 369 47.665 22.844 58.701 1.00 31.02 C ATOM 566 O ASP A 369 47.590 23.963 59.204 1.00 29.87 O ATOM 567 CB ASP A 369 45.472 22.412 57.650 1.00 40.96 C ATOM 568 CG ASP A 369 44.653 22.308 56.386 1.00 51.06 C ATOM 569 OD1 ASP A 369 45.082 22.847 55.343 1.00 50.64 O ATOM 570 OD2 ASP A 369 43.569 21.691 56.447 1.00 58.99 O ATOM 571 H ASP A 369 46.990 20.432 56.848 1.00 0.00 H ATOM 572 N LEU A 370 48.290 21.834 59.288 1.00 29.96 N ATOM 573 CA LEU A 370 48.976 22.018 60.556 1.00 28.40 C ATOM 574 C LEU A 370 50.240 22.822 60.322 1.00 25.90 C ATOM 575 O LEU A 370 50.761 22.851 59.207 1.00 22.90 O ATOM 576 CB LEU A 370 49.313 20.673 61.195 1.00 28.66 C ATOM 577 CG LEU A 370 48.140 19.719 61.407 1.00 29.41 C ATOM 578 CD1 LEU A 370 48.637 18.356 61.861 1.00 31.57 C ATOM 579 CD2 LEU A 370 47.172 20.306 62.417 1.00 25.58 C ATOM 580 H LEU A 370 48.290 20.898 58.836 1.00 0.00 H ATOM 581 N THR A 371 50.720 23.481 61.371 1.00 21.31 N ATOM 582 CA THR A 371 52.025 24.126 61.343 1.00 26.82 C ATOM 583 C THR A 371 53.113 23.086 61.110 1.00 25.92 C ATOM 584 O THR A 371 52.942 21.911 61.445 1.00 26.96 O ATOM 585 CB THR A 371 52.327 24.859 62.657 1.00 32.81 C ATOM 586 OG1 THR A 371 52.379 23.908 63.725 1.00 31.64 O ATOM 587 CG2 THR A 371 51.258 25.907 62.952 1.00 33.88 C ATOM 588 HG1 THR A 371 52.574 24.378 64.574 1.00 0.00 H ATOM 589 H THR A 371 50.147 23.538 62.237 1.00 0.00 H ATOM 590 N LEU A 372 54.235 23.525 60.553 1.00 20.84 N ATOM 591 CA LEU A 372 55.371 22.644 60.332 1.00 23.09 C ATOM 592 C LEU A 372 55.786 21.924 61.617 1.00 24.34 C ATOM 593 O LEU A 372 56.085 20.732 61.587 1.00 27.34 O ATOM 594 CB LEU A 372 56.544 23.438 59.748 1.00 25.23 C ATOM 595 CG LEU A 372 56.662 23.352 58.221 1.00 34.09 C ATOM 596 CD1 LEU A 372 55.288 23.402 57.566 1.00 44.72 C ATOM 597 CD2 LEU A 372 57.556 24.456 57.668 1.00 31.73 C ATOM 598 H LEU A 372 54.303 24.523 60.268 1.00 0.00 H ATOM 599 N HIS A 373 55.776 22.642 62.740 1.00 25.07 N ATOM 600 CA HIS A 373 56.171 22.074 64.032 1.00 24.59 C ATOM 601 C HIS A 373 55.263 20.936 64.487 1.00 22.14 C ATOM 602 O HIS A 373 55.732 19.944 65.037 1.00 21.35 O ATOM 603 CB HIS A 373 56.195 23.163 65.110 1.00 27.03 C ATOM 604 CG HIS A 373 57.264 24.194 64.910 1.00 31.50 C ATOM 605 ND1 HIS A 373 58.539 23.876 64.494 1.00 30.41 N ATOM 606 CD2 HIS A 373 57.245 25.539 65.066 1.00 37.05 C ATOM 607 CE1 HIS A 373 59.261 24.979 64.406 1.00 30.46 C ATOM 608 NE2 HIS A 373 58.499 26.002 64.747 1.00 36.90 N ATOM 609 H HIS A 373 55.478 23.638 62.698 1.00 0.00 H ATOM 610 N ASP A 374 53.963 21.094 64.273 1.00 24.37 N ATOM 611 CA ASP A 374 52.994 20.074 64.654 1.00 22.47 C ATOM 612 C ASP A 374 53.080 18.867 63.724 1.00 19.08 C ATOM 613 O ASP A 374 52.893 17.726 64.151 1.00 18.32 O ATOM 614 CB ASP A 374 51.575 20.655 64.649 1.00 27.72 C ATOM 615 CG ASP A 374 51.291 21.514 65.867 1.00 39.98 C ATOM 616 OD1 ASP A 374 52.138 21.541 66.788 1.00 43.88 O ATOM 617 OD2 ASP A 374 50.216 22.148 65.906 1.00 45.47 O ATOM 618 H ASP A 374 53.627 21.969 63.822 1.00 0.00 H ATOM 619 N GLN A 375 53.373 19.126 62.451 1.00 18.03 N ATOM 620 CA GLN A 375 53.608 18.062 61.483 1.00 19.71 C ATOM 621 C GLN A 375 54.797 17.219 61.915 1.00 17.79 C ATOM 622 O GLN A 375 54.717 15.994 61.944 1.00 15.90 O ATOM 623 CB GLN A 375 53.855 18.633 60.081 1.00 19.80 C ATOM 624 CG GLN A 375 52.637 19.265 59.416 1.00 22.26 C ATOM 625 CD GLN A 375 52.965 19.829 58.044 1.00 24.82 C ATOM 626 OE1 GLN A 375 53.676 19.198 57.258 1.00 18.19 O ATOM 627 NE2 GLN A 375 52.475 21.031 57.759 1.00 24.43 N ATOM 628 HE22 GLN A 375 51.879 21.527 58.452 1.00 0.00 H ATOM 629 HE21 GLN A 375 52.687 21.475 56.843 1.00 0.00 H ATOM 630 H GLN A 375 53.436 20.116 62.139 1.00 0.00 H ATOM 631 N VAL A 376 55.904 17.885 62.230 1.00 19.62 N ATOM 632 CA VAL A 376 57.095 17.219 62.737 1.00 20.45 C ATOM 633 C VAL A 376 56.767 16.381 63.977 1.00 21.04 C ATOM 634 O VAL A 376 57.152 15.214 64.077 1.00 20.29 O ATOM 635 CB VAL A 376 58.204 18.242 63.090 1.00 24.32 C ATOM 636 CG1 VAL A 376 59.202 17.638 64.061 1.00 27.22 C ATOM 637 CG2 VAL A 376 58.900 18.736 61.828 1.00 21.76 C ATOM 638 H VAL A 376 55.919 18.918 62.110 1.00 0.00 H ATOM 639 N HIS A 377 56.044 16.980 64.916 1.00 23.83 N ATOM 640 CA HIS A 377 55.695 16.300 66.156 1.00 20.94 C ATOM 641 C HIS A 377 54.850 15.046 65.917 1.00 20.21 C ATOM 642 O HIS A 377 55.128 13.987 66.487 1.00 20.74 O ATOM 643 CB HIS A 377 54.957 17.258 67.093 1.00 23.95 C ATOM 644 CG HIS A 377 54.520 16.627 68.379 1.00 28.71 C ATOM 645 ND1 HIS A 377 55.407 16.226 69.354 1.00 31.53 N ATOM 646 CD2 HIS A 377 53.286 16.328 68.849 1.00 29.62 C ATOM 647 CE1 HIS A 377 54.739 15.707 70.368 1.00 27.92 C ATOM 648 NE2 HIS A 377 53.449 15.758 70.087 1.00 32.06 N ATOM 649 H HIS A 377 55.720 17.956 64.763 1.00 0.00 H ATOM 650 N LEU A 378 53.826 15.160 65.074 1.00 15.74 N ATOM 651 CA LEU A 378 52.967 14.014 64.781 1.00 17.06 C ATOM 652 C LEU A 378 53.747 12.875 64.145 1.00 18.88 C ATOM 653 O LEU A 378 53.578 11.718 64.529 1.00 15.47 O ATOM 654 CB LEU A 378 51.812 14.413 63.861 1.00 16.97 C ATOM 655 CG LEU A 378 50.641 15.160 64.502 1.00 22.75 C ATOM 656 CD1 LEU A 378 49.609 15.512 63.433 1.00 24.72 C ATOM 657 CD2 LEU A 378 50.015 14.326 65.605 1.00 14.54 C ATOM 658 H LEU A 378 53.635 16.075 64.618 1.00 0.00 H ATOM 659 N LEU A 379 54.586 13.190 63.166 1.00 22.87 N ATOM 660 CA LEU A 379 55.391 12.158 62.529 1.00 18.88 C ATOM 661 C LEU A 379 56.375 11.546 63.523 1.00 14.77 C ATOM 662 O LEU A 379 56.585 10.339 63.526 1.00 14.95 O ATOM 663 CB LEU A 379 56.140 12.711 61.313 1.00 15.56 C ATOM 664 CG LEU A 379 55.324 12.786 60.016 1.00 19.04 C ATOM 665 CD1 LEU A 379 56.034 13.631 58.967 1.00 22.69 C ATOM 666 CD2 LEU A 379 55.037 11.390 59.486 1.00 14.78 C ATOM 667 H LEU A 379 54.669 14.178 62.853 1.00 0.00 H ATOM 668 N GLU A 380 56.982 12.373 64.368 1.00 17.97 N ATOM 669 CA GLU A 380 57.926 11.861 65.360 1.00 21.11 C ATOM 670 C GLU A 380 57.228 10.909 66.331 1.00 17.15 C ATOM 671 O GLU A 380 57.815 9.934 66.786 1.00 14.46 O ATOM 672 CB GLU A 380 58.593 13.008 66.125 1.00 26.36 C ATOM 673 CG GLU A 380 59.662 13.727 65.323 1.00 32.16 C ATOM 674 CD GLU A 380 60.364 14.822 66.101 1.00 39.76 C ATOM 675 OE1 GLU A 380 61.440 15.253 65.646 1.00 43.14 O ATOM 676 OE2 GLU A 380 59.846 15.254 67.154 1.00 42.04 O ATOM 677 H GLU A 380 56.784 13.393 64.323 1.00 0.00 H ATOM 678 N CYS A 381 55.972 11.189 66.645 1.00 17.31 N ATOM 679 CA CYS A 381 55.200 10.315 67.520 1.00 20.92 C ATOM 680 C CYS A 381 54.705 9.060 66.822 1.00 21.73 C ATOM 681 O CYS A 381 54.592 8.013 67.453 1.00 26.09 O ATOM 682 CB CYS A 381 54.008 11.065 68.112 1.00 18.90 C ATOM 683 SG CYS A 381 54.499 12.285 69.334 1.00 35.12 S ATOM 684 H CYS A 381 55.529 12.048 66.260 1.00 0.00 H ATOM 685 N ALA A 382 54.410 9.146 65.533 1.00 18.14 N ATOM 686 CA ALA A 382 53.688 8.063 64.879 1.00 15.22 C ATOM 687 C ALA A 382 54.520 7.147 63.979 1.00 13.68 C ATOM 688 O ALA A 382 54.034 6.089 63.591 1.00 15.05 O ATOM 689 CB ALA A 382 52.529 8.639 64.071 1.00 15.85 C ATOM 690 H ALA A 382 54.694 9.986 64.989 1.00 0.00 H ATOM 691 N TRP A 383 55.744 7.535 63.639 1.00 14.52 N ATOM 692 CA TRP A 383 56.431 6.890 62.511 1.00 15.67 C ATOM 693 C TRP A 383 56.608 5.377 62.649 1.00 20.76 C ATOM 694 O TRP A 383 56.433 4.647 61.670 1.00 16.44 O ATOM 695 CB TRP A 383 57.800 7.539 62.256 1.00 15.47 C ATOM 696 CG TRP A 383 58.819 7.283 63.321 1.00 17.66 C ATOM 697 CD1 TRP A 383 58.996 8.000 64.462 1.00 20.07 C ATOM 698 CD2 TRP A 383 59.815 6.247 63.339 1.00 18.26 C ATOM 699 NE1 TRP A 383 60.028 7.475 65.197 1.00 21.51 N ATOM 700 CE2 TRP A 383 60.549 6.398 64.531 1.00 22.31 C ATOM 701 CE3 TRP A 383 60.151 5.207 62.469 1.00 20.45 C ATOM 702 CZ2 TRP A 383 61.601 5.553 64.876 1.00 25.86 C ATOM 703 CZ3 TRP A 383 61.202 4.368 62.814 1.00 26.36 C ATOM 704 CH2 TRP A 383 61.910 4.546 64.007 1.00 28.47 C ATOM 705 HE1 TRP A 383 60.361 7.837 66.113 1.00 0.00 H ATOM 706 H TRP A 383 56.216 8.294 64.170 1.00 0.00 H ATOM 707 N LEU A 384 56.946 4.896 63.840 1.00 13.15 N ATOM 708 CA LEU A 384 57.174 3.459 64.009 1.00 13.15 C ATOM 709 C LEU A 384 55.854 2.670 64.073 1.00 12.81 C ATOM 710 O LEU A 384 55.779 1.539 63.586 1.00 15.62 O ATOM 711 CB LEU A 384 58.016 3.179 65.254 1.00 13.43 C ATOM 712 CG LEU A 384 58.417 1.707 65.440 1.00 27.48 C ATOM 713 CD1 LEU A 384 59.030 1.135 64.167 1.00 13.81 C ATOM 714 CD2 LEU A 384 59.382 1.542 66.614 1.00 26.32 C ATOM 715 H LEU A 384 57.049 5.539 64.651 1.00 0.00 H ATOM 716 N GLU A 385 54.829 3.255 64.688 1.00 14.37 N ATOM 717 CA GLU A 385 53.470 2.692 64.615 1.00 12.46 C ATOM 718 C GLU A 385 53.019 2.516 63.170 1.00 16.60 C ATOM 719 O GLU A 385 52.416 1.505 62.801 1.00 19.47 O ATOM 720 CB GLU A 385 52.464 3.590 65.335 1.00 15.63 C ATOM 721 CG GLU A 385 52.223 3.272 66.793 1.00 21.79 C ATOM 722 CD GLU A 385 51.571 4.435 67.517 1.00 28.63 C ATOM 723 OE1 GLU A 385 52.244 5.474 67.667 1.00 29.86 O ATOM 724 OE2 GLU A 385 50.394 4.323 67.918 1.00 34.83 O ATOM 725 H GLU A 385 54.991 4.127 65.231 1.00 0.00 H ATOM 726 N ILE A 386 53.306 3.524 62.360 1.00 15.23 N ATOM 727 CA ILE A 386 52.904 3.519 60.955 1.00 14.36 C ATOM 728 C ILE A 386 53.656 2.460 60.135 1.00 14.72 C ATOM 729 O ILE A 386 53.040 1.732 59.359 1.00 14.97 O ATOM 730 CB ILE A 386 53.073 4.926 60.350 1.00 18.11 C ATOM 731 CG1 ILE A 386 51.945 5.816 60.891 1.00 21.34 C ATOM 732 CG2 ILE A 386 53.071 4.883 58.813 1.00 16.56 C ATOM 733 CD1 ILE A 386 52.053 7.276 60.546 1.00 24.36 C ATOM 734 H ILE A 386 53.831 4.340 62.734 1.00 0.00 H ATOM 735 N LEU A 387 54.974 2.349 60.322 1.00 14.17 N ATOM 736 CA LEU A 387 55.734 1.251 59.709 1.00 15.63 C ATOM 737 C LEU A 387 55.198 -0.112 60.137 1.00 14.60 C ATOM 738 O LEU A 387 55.088 -1.030 59.326 1.00 15.72 O ATOM 739 CB LEU A 387 57.219 1.336 60.078 1.00 17.09 C ATOM 740 CG LEU A 387 58.071 2.482 59.530 1.00 23.58 C ATOM 741 CD1 LEU A 387 59.528 2.266 59.924 1.00 25.45 C ATOM 742 CD2 LEU A 387 57.928 2.584 58.024 1.00 22.85 C ATOM 743 H LEU A 387 55.469 3.050 60.910 1.00 0.00 H ATOM 744 N MET A 388 54.888 -0.234 61.422 1.00 13.01 N ATOM 745 CA MET A 388 54.455 -1.504 61.996 1.00 15.58 C ATOM 746 C MET A 388 53.106 -1.962 61.473 1.00 16.72 C ATOM 747 O MET A 388 52.926 -3.140 61.191 1.00 15.53 O ATOM 748 CB MET A 388 54.414 -1.412 63.521 1.00 12.95 C ATOM 749 CG MET A 388 55.744 -1.737 64.161 1.00 18.77 C ATOM 750 SD MET A 388 55.742 -1.560 65.949 1.00 17.71 S ATOM 751 CE MET A 388 57.431 -2.007 66.331 1.00 13.80 C ATOM 752 H MET A 388 54.956 0.601 62.038 1.00 0.00 H ATOM 753 N ILE A 389 52.150 -1.049 61.347 1.00 15.55 N ATOM 754 CA ILE A 389 50.852 -1.473 60.864 1.00 18.07 C ATOM 755 C ILE A 389 50.940 -1.736 59.367 1.00 19.63 C ATOM 756 O ILE A 389 50.271 -2.631 58.861 1.00 20.94 O ATOM 757 CB ILE A 389 49.730 -0.457 61.167 1.00 15.99 C ATOM 758 CG1 ILE A 389 48.369 -1.130 60.937 1.00 12.97 C ATOM 759 CG2 ILE A 389 49.889 0.809 60.340 1.00 12.71 C ATOM 760 CD1 ILE A 389 47.176 -0.193 61.081 1.00 19.20 C ATOM 761 H ILE A 389 52.329 -0.054 61.589 1.00 0.00 H ATOM 762 N GLY A 390 51.785 -0.983 58.669 1.00 21.19 N ATOM 763 CA GLY A 390 52.069 -1.268 57.277 1.00 20.32 C ATOM 764 C GLY A 390 52.570 -2.697 57.139 1.00 19.55 C ATOM 765 O GLY A 390 52.091 -3.464 56.305 1.00 21.40 O ATOM 766 H GLY A 390 52.250 -0.175 59.130 1.00 0.00 H ATOM 767 N LEU A 391 53.531 -3.054 57.983 1.00 22.25 N ATOM 768 CA LEU A 391 54.133 -4.383 57.965 1.00 21.00 C ATOM 769 C LEU A 391 53.126 -5.483 58.262 1.00 19.60 C ATOM 770 O LEU A 391 53.131 -6.543 57.633 1.00 21.33 O ATOM 771 CB LEU A 391 55.266 -4.456 58.981 1.00 18.62 C ATOM 772 CG LEU A 391 55.828 -5.852 59.236 1.00 16.89 C ATOM 773 CD1 LEU A 391 56.486 -6.396 57.969 1.00 16.49 C ATOM 774 CD2 LEU A 391 56.819 -5.819 60.381 1.00 20.78 C ATOM 775 H LEU A 391 53.867 -2.361 58.682 1.00 0.00 H ATOM 776 N VAL A 392 52.285 -5.231 59.251 1.00 17.28 N ATOM 777 CA VAL A 392 51.304 -6.209 59.678 1.00 22.80 C ATOM 778 C VAL A 392 50.272 -6.405 58.574 1.00 20.67 C ATOM 779 O VAL A 392 49.880 -7.529 58.283 1.00 22.09 O ATOM 780 CB VAL A 392 50.650 -5.779 61.000 1.00 29.17 C ATOM 781 CG1 VAL A 392 49.332 -6.476 61.206 1.00 36.41 C ATOM 782 CG2 VAL A 392 51.601 -6.057 62.155 1.00 28.18 C ATOM 783 H VAL A 392 52.328 -4.311 59.733 1.00 0.00 H ATOM 784 N TRP A 393 49.874 -5.313 57.930 1.00 21.74 N ATOM 785 CA TRP A 393 48.972 -5.394 56.786 1.00 24.56 C ATOM 786 C TRP A 393 49.548 -6.285 55.684 1.00 19.59 C ATOM 787 O TRP A 393 48.868 -7.213 55.230 1.00 17.03 O ATOM 788 CB TRP A 393 48.676 -3.989 56.249 1.00 30.26 C ATOM 789 CG TRP A 393 47.982 -3.942 54.919 1.00 28.56 C ATOM 790 CD1 TRP A 393 48.496 -3.470 53.747 1.00 26.14 C ATOM 791 CD2 TRP A 393 46.640 -4.360 54.626 1.00 25.60 C ATOM 792 NE1 TRP A 393 47.567 -3.575 52.743 1.00 24.45 N ATOM 793 CE2 TRP A 393 46.419 -4.121 53.253 1.00 25.61 C ATOM 794 CE3 TRP A 393 45.611 -4.922 55.386 1.00 30.08 C ATOM 795 CZ2 TRP A 393 45.210 -4.421 52.628 1.00 27.75 C ATOM 796 CZ3 TRP A 393 44.411 -5.218 54.762 1.00 31.04 C ATOM 797 CH2 TRP A 393 44.221 -4.967 53.397 1.00 29.44 C ATOM 798 HE1 TRP A 393 47.711 -3.287 51.754 1.00 0.00 H ATOM 799 H TRP A 393 50.212 -4.382 58.248 1.00 0.00 H ATOM 800 N ARG A 394 50.778 -6.050 55.254 1.00 22.35 N ATOM 801 CA ARG A 394 51.257 -6.837 54.125 1.00 22.53 C ATOM 802 C ARG A 394 51.639 -8.265 54.525 1.00 24.28 C ATOM 803 O ARG A 394 51.793 -9.116 53.662 1.00 29.31 O ATOM 804 CB ARG A 394 52.419 -6.151 53.383 1.00 27.38 C ATOM 805 CG ARG A 394 53.488 -5.493 54.204 1.00 27.62 C ATOM 806 CD ARG A 394 54.479 -4.755 53.303 1.00 24.26 C ATOM 807 NE ARG A 394 55.715 -4.572 54.046 1.00 19.41 N ATOM 808 CZ ARG A 394 55.994 -3.509 54.793 1.00 22.37 C ATOM 809 NH1 ARG A 394 55.142 -2.496 54.855 1.00 20.66 N ATOM 810 NH2 ARG A 394 57.142 -3.457 55.456 1.00 24.64 N ATOM 811 HE ARG A 394 56.430 -5.325 53.989 1.00 0.00 H ATOM 812 HH12 ARG A 394 55.363 -1.665 55.441 1.00 0.00 H ATOM 813 HH11 ARG A 394 54.252 -2.531 54.318 1.00 0.00 H ATOM 814 HH22 ARG A 394 57.367 -2.628 56.042 1.00 0.00 H ATOM 815 HH21 ARG A 394 57.817 -4.245 55.389 1.00 0.00 H ATOM 816 H ARG A 394 51.379 -5.331 55.705 1.00 0.00 H ATOM 817 N SER A 395 51.757 -8.544 55.822 1.00 24.37 N ATOM 818 CA SER A 395 52.050 -9.909 56.273 1.00 24.50 C ATOM 819 C SER A 395 50.782 -10.745 56.448 1.00 29.91 C ATOM 820 O SER A 395 50.850 -11.945 56.721 1.00 34.47 O ATOM 821 CB SER A 395 52.825 -9.889 57.595 1.00 20.00 C ATOM 822 OG SER A 395 54.019 -9.144 57.470 1.00 23.06 O ATOM 823 HG SER A 395 53.800 -8.213 57.215 1.00 0.00 H ATOM 824 H SER A 395 51.640 -7.785 56.523 1.00 0.00 H ATOM 825 N MET A 396 49.630 -10.100 56.286 1.00 27.99 N ATOM 826 CA MET A 396 48.342 -10.707 56.622 1.00 32.93 C ATOM 827 C MET A 396 48.093 -12.074 55.992 1.00 32.53 C ATOM 828 O MET A 396 47.653 -13.000 56.674 1.00 37.82 O ATOM 829 CB MET A 396 47.205 -9.766 56.234 1.00 39.00 C ATOM 830 CG MET A 396 46.345 -9.349 57.408 1.00 42.73 C ATOM 831 SD MET A 396 45.040 -8.221 56.907 1.00 45.28 S ATOM 832 CE MET A 396 43.817 -9.361 56.269 1.00 78.61 C ATOM 833 H MET A 396 49.645 -9.131 55.908 1.00 0.00 H ATOM 834 N GLU A 397 48.361 -12.212 54.697 1.00 32.09 N ATOM 835 CA GLU A 397 48.095 -13.486 54.031 1.00 37.24 C ATOM 836 C GLU A 397 49.367 -14.328 53.945 1.00 39.97 C ATOM 837 O GLU A 397 49.604 -15.034 52.963 1.00 47.43 O ATOM 838 CB GLU A 397 47.496 -13.257 52.643 1.00 34.95 C ATOM 839 H GLU A 397 48.759 -11.416 54.159 1.00 0.00 H ATOM 840 N HIS A 398 50.165 -14.242 55.004 1.00 32.83 N ATOM 841 CA HIS A 398 51.424 -14.963 55.138 1.00 33.15 C ATOM 842 C HIS A 398 51.571 -15.526 56.545 1.00 34.79 C ATOM 843 O HIS A 398 52.468 -15.105 57.281 1.00 36.89 O ATOM 844 CB HIS A 398 52.609 -14.046 54.846 1.00 33.81 C ATOM 845 CG HIS A 398 52.913 -13.881 53.391 1.00 41.03 C ATOM 846 ND1 HIS A 398 53.688 -14.779 52.691 1.00 49.43 N ATOM 847 CD2 HIS A 398 52.566 -12.915 52.509 1.00 43.59 C ATOM 848 CE1 HIS A 398 53.796 -14.380 51.439 1.00 52.14 C ATOM 849 NE2 HIS A 398 53.124 -13.252 51.301 1.00 50.19 N ATOM 850 H HIS A 398 49.873 -13.621 55.786 1.00 0.00 H ATOM 851 N PRO A 399 50.693 -16.465 56.926 1.00 34.66 N ATOM 852 CA PRO A 399 50.672 -17.037 58.281 1.00 34.84 C ATOM 853 C PRO A 399 52.068 -17.308 58.847 1.00 30.58 C ATOM 854 O PRO A 399 52.887 -17.932 58.178 1.00 32.11 O ATOM 855 CB PRO A 399 49.904 -18.345 58.093 1.00 38.45 C ATOM 856 CG PRO A 399 48.976 -18.060 56.956 1.00 41.44 C ATOM 857 CD PRO A 399 49.703 -17.106 56.039 1.00 39.20 C ATOM 858 N GLY A 400 52.335 -16.811 60.051 1.00 28.43 N ATOM 859 CA GLY A 400 53.600 -17.052 60.726 1.00 29.00 C ATOM 860 C GLY A 400 54.836 -16.401 60.121 1.00 31.25 C ATOM 861 O GLY A 400 55.956 -16.798 60.451 1.00 32.02 O ATOM 862 H GLY A 400 51.615 -16.230 60.526 1.00 0.00 H ATOM 863 N LYS A 401 54.648 -15.413 59.254 1.00 29.28 N ATOM 864 CA LYS A 401 55.771 -14.750 58.595 1.00 27.21 C ATOM 865 C LYS A 401 55.603 -13.245 58.573 1.00 23.64 C ATOM 866 O LYS A 401 54.485 -12.737 58.509 1.00 24.51 O ATOM 867 CB LYS A 401 55.947 -15.270 57.171 1.00 34.01 C ATOM 868 CG LYS A 401 56.811 -16.507 57.106 1.00 38.18 C ATOM 869 CD LYS A 401 56.927 -17.063 55.702 1.00 41.95 C ATOM 870 CE LYS A 401 57.663 -18.391 55.746 1.00 50.48 C ATOM 871 NZ LYS A 401 58.053 -18.915 54.408 1.00 57.79 N ATOM 872 HZ1 LYS A 401 57.200 -19.056 53.830 1.00 0.00 H ATOM 873 HZ2 LYS A 401 58.681 -18.232 53.939 1.00 0.00 H ATOM 874 HZ3 LYS A 401 58.549 -19.822 54.523 1.00 0.00 H ATOM 875 H LYS A 401 53.679 -15.104 59.039 1.00 0.00 H ATOM 876 N LEU A 402 56.712 -12.526 58.650 1.00 22.52 N ATOM 877 CA LEU A 402 56.652 -11.085 58.503 1.00 22.37 C ATOM 878 C LEU A 402 57.257 -10.700 57.165 1.00 23.29 C ATOM 879 O LEU A 402 58.421 -10.999 56.870 1.00 18.47 O ATOM 880 CB LEU A 402 57.362 -10.370 59.653 1.00 22.25 C ATOM 881 CG LEU A 402 56.750 -10.582 61.043 1.00 24.21 C ATOM 882 CD1 LEU A 402 57.647 -10.008 62.128 1.00 24.03 C ATOM 883 CD2 LEU A 402 55.344 -10.000 61.141 1.00 19.17 C ATOM 884 H LEU A 402 57.626 -12.995 58.816 1.00 0.00 H ATOM 885 N LEU A 403 56.440 -10.054 56.349 1.00 23.24 N ATOM 886 CA LEU A 403 56.865 -9.628 55.034 1.00 24.96 C ATOM 887 C LEU A 403 57.399 -8.198 55.097 1.00 24.22 C ATOM 888 O LEU A 403 56.674 -7.243 54.805 1.00 19.12 O ATOM 889 CB LEU A 403 55.706 -9.741 54.054 1.00 28.48 C ATOM 890 CG LEU A 403 56.081 -9.724 52.578 1.00 37.68 C ATOM 891 CD1 LEU A 403 55.113 -10.577 51.801 1.00 43.24 C ATOM 892 CD2 LEU A 403 56.052 -8.306 52.061 1.00 41.46 C ATOM 893 H LEU A 403 55.469 -9.848 56.661 1.00 0.00 H ATOM 894 N PHE A 404 58.654 -8.043 55.508 1.00 26.53 N ATOM 895 CA PHE A 404 59.259 -6.716 55.594 1.00 23.09 C ATOM 896 C PHE A 404 59.397 -6.120 54.201 1.00 19.05 C ATOM 897 O PHE A 404 59.251 -4.919 54.003 1.00 22.58 O ATOM 898 CB PHE A 404 60.621 -6.775 56.292 1.00 21.91 C ATOM 899 CG PHE A 404 60.528 -6.969 57.781 1.00 19.16 C ATOM 900 CD1 PHE A 404 60.493 -8.239 58.328 1.00 17.35 C ATOM 901 CD2 PHE A 404 60.464 -5.878 58.635 1.00 18.23 C ATOM 902 CE1 PHE A 404 60.401 -8.418 59.696 1.00 19.53 C ATOM 903 CE2 PHE A 404 60.374 -6.054 60.007 1.00 17.83 C ATOM 904 CZ PHE A 404 60.340 -7.319 60.535 1.00 17.67 C ATOM 905 H PHE A 404 59.213 -8.879 55.772 1.00 0.00 H ATOM 906 N ALA A 405 59.693 -6.989 53.242 1.00 24.67 N ATOM 907 CA ALA A 405 59.757 -6.623 51.836 1.00 26.36 C ATOM 908 C ALA A 405 59.465 -7.881 51.027 1.00 29.15 C ATOM 909 O ALA A 405 59.592 -8.987 51.553 1.00 27.50 O ATOM 910 CB ALA A 405 61.122 -6.043 51.480 1.00 27.39 C ATOM 911 H ALA A 405 59.888 -7.975 53.508 1.00 0.00 H ATOM 912 N PRO A 406 59.071 -7.727 49.753 1.00 33.10 N ATOM 913 CA PRO A 406 58.754 -8.925 48.967 1.00 36.37 C ATOM 914 C PRO A 406 59.934 -9.888 48.862 1.00 39.23 C ATOM 915 O PRO A 406 59.728 -11.078 48.631 1.00 43.53 O ATOM 916 CB PRO A 406 58.388 -8.361 47.591 1.00 35.73 C ATOM 917 CG PRO A 406 57.961 -6.954 47.863 1.00 33.70 C ATOM 918 CD PRO A 406 58.842 -6.489 48.987 1.00 30.46 C ATOM 919 N ASN A 407 61.148 -9.374 49.041 1.00 31.32 N ATOM 920 CA ASN A 407 62.342 -10.212 49.021 1.00 28.05 C ATOM 921 C ASN A 407 62.931 -10.368 50.416 1.00 27.31 C ATOM 922 O ASN A 407 64.077 -10.784 50.574 1.00 26.50 O ATOM 923 CB ASN A 407 63.390 -9.627 48.075 1.00 27.24 C ATOM 924 CG ASN A 407 63.965 -8.317 48.584 1.00 31.14 C ATOM 925 OD1 ASN A 407 63.313 -7.594 49.344 1.00 28.18 O ATOM 926 ND2 ASN A 407 65.188 -8.003 48.170 1.00 33.41 N ATOM 927 HD22 ASN A 407 65.700 -8.642 47.530 1.00 0.00 H ATOM 928 HD21 ASN A 407 65.633 -7.118 48.486 1.00 0.00 H ATOM 929 H ASN A 407 61.248 -8.351 49.199 1.00 0.00 H ATOM 930 N LEU A 408 62.148 -9.998 51.421 1.00 30.23 N ATOM 931 CA LEU A 408 62.559 -10.138 52.810 1.00 28.67 C ATOM 932 C LEU A 408 61.380 -10.621 53.633 1.00 29.18 C ATOM 933 O LEU A 408 60.679 -9.833 54.277 1.00 23.82 O ATOM 934 CB LEU A 408 63.097 -8.825 53.373 1.00 27.35 C ATOM 935 CG LEU A 408 63.758 -9.024 54.738 1.00 27.11 C ATOM 936 CD1 LEU A 408 64.778 -10.156 54.650 1.00 22.11 C ATOM 937 CD2 LEU A 408 64.410 -7.746 55.235 1.00 29.42 C ATOM 938 H LEU A 408 61.212 -9.596 51.210 1.00 0.00 H ATOM 939 N LEU A 409 61.173 -11.933 53.579 1.00 31.27 N ATOM 940 CA LEU A 409 60.088 -12.613 54.263 1.00 32.43 C ATOM 941 C LEU A 409 60.669 -13.421 55.415 1.00 33.36 C ATOM 942 O LEU A 409 61.396 -14.383 55.188 1.00 38.32 O ATOM 943 CB LEU A 409 59.337 -13.520 53.286 1.00 33.86 C ATOM 944 CG LEU A 409 58.027 -14.153 53.746 1.00 37.61 C ATOM 945 CD1 LEU A 409 56.913 -13.115 53.743 1.00 35.06 C ATOM 946 CD2 LEU A 409 57.669 -15.342 52.864 1.00 42.13 C ATOM 947 H LEU A 409 61.829 -12.508 53.012 1.00 0.00 H ATOM 948 N LEU A 410 60.362 -13.030 56.647 1.00 31.60 N ATOM 949 CA LEU A 410 61.007 -13.631 57.809 1.00 31.85 C ATOM 950 C LEU A 410 60.027 -14.334 58.743 1.00 33.90 C ATOM 951 O LEU A 410 58.968 -13.796 59.070 1.00 35.91 O ATOM 952 CB LEU A 410 61.782 -12.569 58.595 1.00 27.41 C ATOM 953 CG LEU A 410 62.880 -11.792 57.865 1.00 29.23 C ATOM 954 CD1 LEU A 410 63.493 -10.743 58.786 1.00 21.18 C ATOM 955 CD2 LEU A 410 63.951 -12.739 57.339 1.00 31.83 C ATOM 956 H LEU A 410 59.651 -12.284 56.785 1.00 0.00 H ATOM 957 N ASP A 411 60.397 -15.543 59.160 1.00 34.58 N ATOM 958 CA ASP A 411 59.669 -16.283 60.187 1.00 37.11 C ATOM 959 C ASP A 411 60.318 -15.950 61.542 1.00 35.75 C ATOM 960 O ASP A 411 61.403 -15.374 61.564 1.00 34.24 O ATOM 961 CB ASP A 411 59.672 -17.794 59.869 1.00 45.84 C ATOM 962 CG ASP A 411 61.050 -18.436 60.012 1.00 51.51 C ATOM 963 OD1 ASP A 411 61.685 -18.240 61.065 1.00 50.82 O ATOM 964 OD2 ASP A 411 61.501 -19.157 59.091 1.00 57.01 O ATOM 965 H ASP A 411 61.241 -15.979 58.736 1.00 0.00 H ATOM 966 N ARG A 412 59.686 -16.298 62.661 1.00 36.99 N ATOM 967 CA ARG A 412 60.179 -15.835 63.966 1.00 35.15 C ATOM 968 C ARG A 412 61.524 -16.445 64.352 1.00 37.71 C ATOM 969 O ARG A 412 62.288 -15.843 65.116 1.00 40.48 O ATOM 970 CB ARG A 412 59.160 -16.129 65.074 1.00 35.31 C ATOM 971 CG ARG A 412 59.190 -17.555 65.607 1.00 34.69 C ATOM 972 CD ARG A 412 58.059 -17.788 66.600 1.00 38.56 C ATOM 973 NE ARG A 412 58.290 -17.146 67.893 1.00 40.55 N ATOM 974 CZ ARG A 412 58.936 -17.721 68.903 1.00 40.80 C ATOM 975 NH1 ARG A 412 59.430 -18.944 68.763 1.00 42.23 N ATOM 976 NH2 ARG A 412 59.098 -17.073 70.051 1.00 36.06 N ATOM 977 HE ARG A 412 57.927 -16.181 68.031 1.00 0.00 H ATOM 978 HH12 ARG A 412 59.935 -19.394 69.553 1.00 0.00 H ATOM 979 HH11 ARG A 412 59.312 -19.453 67.864 1.00 0.00 H ATOM 980 HH22 ARG A 412 59.604 -17.527 70.838 1.00 0.00 H ATOM 981 HH21 ARG A 412 58.719 -16.111 70.163 1.00 0.00 H ATOM 982 H ARG A 412 58.840 -16.900 62.611 1.00 0.00 H ATOM 983 N ASN A 413 61.809 -17.632 63.844 1.00 32.80 N ATOM 984 CA ASN A 413 63.068 -18.278 64.173 1.00 35.86 C ATOM 985 C ASN A 413 64.248 -17.452 63.648 1.00 36.64 C ATOM 986 O ASN A 413 65.281 -17.365 64.305 1.00 40.27 O ATOM 987 CB ASN A 413 63.082 -19.722 63.656 1.00 38.98 C ATOM 988 CG ASN A 413 62.394 -20.695 64.619 1.00 46.46 C ATOM 989 OD1 ASN A 413 61.618 -20.284 65.490 1.00 47.28 O ATOM 990 ND2 ASN A 413 62.686 -21.981 64.475 1.00 49.20 N ATOM 991 HD22 ASN A 413 63.344 -22.284 63.729 1.00 0.00 H ATOM 992 HD21 ASN A 413 62.257 -22.686 65.108 1.00 0.00 H ATOM 993 H ASN A 413 61.133 -18.103 63.210 1.00 0.00 H ATOM 994 N GLN A 414 64.074 -16.797 62.498 1.00 34.44 N ATOM 995 CA GLN A 414 65.116 -15.924 61.945 1.00 35.41 C ATOM 996 C GLN A 414 65.256 -14.624 62.748 1.00 35.21 C ATOM 997 O GLN A 414 66.319 -14.003 62.773 1.00 39.46 O ATOM 998 CB GLN A 414 64.822 -15.616 60.471 1.00 38.44 C ATOM 999 CG GLN A 414 64.465 -16.862 59.659 1.00 43.13 C ATOM 1000 CD GLN A 414 64.279 -16.585 58.178 1.00 47.25 C ATOM 1001 OE1 GLN A 414 63.153 -16.475 57.690 1.00 48.15 O ATOM 1002 NE2 GLN A 414 65.388 -16.489 57.452 1.00 48.21 N ATOM 1003 HE22 GLN A 414 66.318 -16.589 57.907 1.00 0.00 H ATOM 1004 HE21 GLN A 414 65.326 -16.314 56.429 1.00 0.00 H ATOM 1005 H GLN A 414 63.178 -16.908 61.981 1.00 0.00 H ATOM 1006 N GLY A 415 64.180 -14.221 63.414 1.00 35.12 N ATOM 1007 CA GLY A 415 64.216 -13.055 64.277 1.00 34.51 C ATOM 1008 C GLY A 415 65.127 -13.253 65.477 1.00 36.42 C ATOM 1009 O GLY A 415 65.549 -12.288 66.116 1.00 39.05 O ATOM 1010 H GLY A 415 63.292 -14.753 63.315 1.00 0.00 H ATOM 1011 N LYS A 416 65.445 -14.511 65.771 1.00 32.26 N ATOM 1012 CA LYS A 416 66.265 -14.858 66.927 1.00 36.27 C ATOM 1013 C LYS A 416 67.674 -14.273 66.874 1.00 39.52 C ATOM 1014 O LYS A 416 68.293 -14.064 67.915 1.00 51.28 O ATOM 1015 CB LYS A 416 66.363 -16.383 67.073 1.00 42.87 C ATOM 1016 CG LYS A 416 65.170 -17.041 67.765 1.00 48.78 C ATOM 1017 CD LYS A 416 65.435 -18.519 68.015 1.00 53.87 C ATOM 1018 CE LYS A 416 64.458 -19.410 67.257 1.00 56.76 C ATOM 1019 NZ LYS A 416 63.253 -19.758 68.067 1.00 54.15 N ATOM 1020 HZ1 LYS A 416 63.549 -20.265 68.926 1.00 0.00 H ATOM 1021 HZ2 LYS A 416 62.752 -18.886 68.333 1.00 0.00 H ATOM 1022 HZ3 LYS A 416 62.622 -20.365 67.505 1.00 0.00 H ATOM 1023 H LYS A 416 65.097 -15.274 65.155 1.00 0.00 H ATOM 1024 N CYS A 417 68.186 -14.016 65.673 1.00 33.85 N ATOM 1025 CA CYS A 417 69.587 -13.617 65.528 1.00 33.69 C ATOM 1026 C CYS A 417 69.862 -12.165 65.932 1.00 33.16 C ATOM 1027 O CYS A 417 71.007 -11.717 65.890 1.00 40.53 O ATOM 1028 CB CYS A 417 70.058 -13.839 64.092 1.00 35.93 C ATOM 1029 SG CYS A 417 69.573 -12.530 62.950 1.00 58.95 S ATOM 1030 H CYS A 417 67.585 -14.099 64.829 1.00 0.00 H ATOM 1031 N VAL A 418 68.818 -11.428 66.301 1.00 27.07 N ATOM 1032 CA VAL A 418 69.001 -10.134 66.953 1.00 28.35 C ATOM 1033 C VAL A 418 68.456 -10.188 68.373 1.00 27.91 C ATOM 1034 O VAL A 418 67.264 -10.423 68.584 1.00 25.99 O ATOM 1035 CB VAL A 418 68.306 -8.978 66.195 1.00 32.88 C ATOM 1036 CG1 VAL A 418 68.647 -7.641 66.852 1.00 36.18 C ATOM 1037 CG2 VAL A 418 68.710 -8.974 64.727 1.00 31.39 C ATOM 1038 H VAL A 418 67.855 -11.779 66.122 1.00 0.00 H ATOM 1039 N GLU A 419 69.344 -9.975 69.339 1.00 30.94 N ATOM 1040 CA GLU A 419 68.979 -9.894 70.751 1.00 34.04 C ATOM 1041 C GLU A 419 67.703 -9.082 70.983 1.00 34.20 C ATOM 1042 O GLU A 419 67.630 -7.906 70.630 1.00 37.90 O ATOM 1043 CB GLU A 419 70.132 -9.280 71.549 1.00 38.21 C ATOM 1044 H GLU A 419 70.344 -9.861 69.078 1.00 0.00 H ATOM 1045 N GLY A 420 66.693 -9.729 71.558 1.00 27.84 N ATOM 1046 CA GLY A 420 65.458 -9.057 71.920 1.00 27.65 C ATOM 1047 C GLY A 420 64.515 -8.719 70.778 1.00 33.06 C ATOM 1048 O GLY A 420 63.597 -7.919 70.955 1.00 40.51 O ATOM 1049 H GLY A 420 66.791 -10.746 71.754 1.00 0.00 H ATOM 1050 N MET A 421 64.723 -9.317 69.610 1.00 31.30 N ATOM 1051 CA MET A 421 63.860 -9.025 68.469 1.00 36.47 C ATOM 1052 C MET A 421 62.616 -9.905 68.464 1.00 39.59 C ATOM 1053 O MET A 421 61.526 -9.456 68.103 1.00 40.31 O ATOM 1054 CB MET A 421 64.622 -9.204 67.153 1.00 36.45 C ATOM 1055 CG MET A 421 63.765 -8.997 65.908 1.00 41.97 C ATOM 1056 SD MET A 421 63.451 -7.260 65.512 1.00 45.16 S ATOM 1057 CE MET A 421 65.104 -6.722 65.101 1.00 45.11 C ATOM 1058 H MET A 421 65.504 -9.996 69.508 1.00 0.00 H ATOM 1059 N VAL A 422 62.786 -11.158 68.874 1.00 38.98 N ATOM 1060 CA VAL A 422 61.758 -12.172 68.671 1.00 39.04 C ATOM 1061 C VAL A 422 60.479 -11.901 69.467 1.00 34.54 C ATOM 1062 O VAL A 422 59.394 -12.325 69.065 1.00 37.31 O ATOM 1063 CB VAL A 422 62.293 -13.574 69.021 1.00 42.67 C ATOM 1064 CG1 VAL A 422 62.332 -13.775 70.531 1.00 39.04 C ATOM 1065 CG2 VAL A 422 61.444 -14.644 68.347 1.00 48.13 C ATOM 1066 H VAL A 422 63.672 -11.421 69.350 1.00 0.00 H ATOM 1067 N GLU A 423 60.603 -11.193 70.586 1.00 29.48 N ATOM 1068 CA GLU A 423 59.431 -10.791 71.357 1.00 26.91 C ATOM 1069 C GLU A 423 58.558 -9.864 70.530 1.00 25.78 C ATOM 1070 O GLU A 423 57.335 -10.010 70.472 1.00 28.28 O ATOM 1071 CB GLU A 423 59.843 -10.095 72.651 1.00 30.55 C ATOM 1072 H GLU A 423 61.551 -10.921 70.917 1.00 0.00 H ATOM 1073 N ILE A 424 59.211 -8.902 69.891 1.00 24.46 N ATOM 1074 CA ILE A 424 58.537 -7.914 69.061 1.00 25.41 C ATOM 1075 C ILE A 424 58.011 -8.574 67.791 1.00 22.36 C ATOM 1076 O ILE A 424 56.927 -8.244 67.313 1.00 21.55 O ATOM 1077 CB ILE A 424 59.495 -6.749 68.740 1.00 28.06 C ATOM 1078 CG1 ILE A 424 59.768 -5.965 70.028 1.00 28.74 C ATOM 1079 CG2 ILE A 424 58.916 -5.849 67.670 1.00 25.28 C ATOM 1080 CD1 ILE A 424 61.128 -5.322 70.099 1.00 30.82 C ATOM 1081 H ILE A 424 60.245 -8.852 69.987 1.00 0.00 H ATOM 1082 N PHE A 425 58.779 -9.520 67.265 1.00 25.56 N ATOM 1083 CA PHE A 425 58.297 -10.403 66.210 1.00 27.03 C ATOM 1084 C PHE A 425 56.982 -11.047 66.587 1.00 27.14 C ATOM 1085 O PHE A 425 56.023 -11.043 65.807 1.00 24.25 O ATOM 1086 CB PHE A 425 59.295 -11.512 65.956 1.00 33.37 C ATOM 1087 CG PHE A 425 59.971 -11.436 64.644 1.00 41.94 C ATOM 1088 CD1 PHE A 425 60.841 -10.402 64.360 1.00 44.33 C ATOM 1089 CD2 PHE A 425 59.787 -12.434 63.708 1.00 45.37 C ATOM 1090 CE1 PHE A 425 61.494 -10.350 63.156 1.00 46.82 C ATOM 1091 CE2 PHE A 425 60.436 -12.390 62.501 1.00 46.56 C ATOM 1092 CZ PHE A 425 61.292 -11.347 62.222 1.00 46.62 C ATOM 1093 H PHE A 425 59.752 -9.635 67.615 1.00 0.00 H ATOM 1094 N ASP A 426 56.965 -11.633 67.782 1.00 24.21 N ATOM 1095 CA ASP A 426 55.822 -12.403 68.254 1.00 24.59 C ATOM 1096 C ASP A 426 54.600 -11.516 68.330 1.00 25.52 C ATOM 1097 O ASP A 426 53.503 -11.925 67.962 1.00 28.60 O ATOM 1098 CB ASP A 426 56.111 -13.038 69.619 1.00 26.40 C ATOM 1099 CG ASP A 426 57.001 -14.256 69.513 1.00 38.77 C ATOM 1100 OD1 ASP A 426 57.109 -14.799 68.394 1.00 49.33 O ATOM 1101 OD2 ASP A 426 57.586 -14.676 70.538 1.00 38.05 O ATOM 1102 H ASP A 426 57.796 -11.538 68.400 1.00 0.00 H ATOM 1103 N MET A 427 54.794 -10.289 68.797 1.00 20.50 N ATOM 1104 CA MET A 427 53.701 -9.330 68.875 1.00 25.15 C ATOM 1105 C MET A 427 53.232 -8.861 67.501 1.00 24.86 C ATOM 1106 O MET A 427 52.036 -8.658 67.281 1.00 23.00 O ATOM 1107 CB MET A 427 54.108 -8.124 69.715 1.00 26.05 C ATOM 1108 CG MET A 427 54.179 -8.420 71.194 1.00 26.83 C ATOM 1109 SD MET A 427 54.578 -6.948 72.143 1.00 40.33 S ATOM 1110 CE MET A 427 56.092 -6.442 71.347 1.00 44.10 C ATOM 1111 H MET A 427 55.744 -10.007 69.113 1.00 0.00 H ATOM 1112 N LEU A 428 54.174 -8.669 66.582 1.00 23.86 N ATOM 1113 CA LEU A 428 53.816 -8.293 65.221 1.00 22.03 C ATOM 1114 C LEU A 428 53.025 -9.417 64.555 1.00 21.01 C ATOM 1115 O LEU A 428 52.006 -9.169 63.921 1.00 20.68 O ATOM 1116 CB LEU A 428 55.062 -7.942 64.407 1.00 19.59 C ATOM 1117 CG LEU A 428 55.664 -6.585 64.798 1.00 19.93 C ATOM 1118 CD1 LEU A 428 57.102 -6.440 64.300 1.00 21.20 C ATOM 1119 CD2 LEU A 428 54.792 -5.430 64.292 1.00 14.04 C ATOM 1120 H LEU A 428 55.175 -8.788 66.837 1.00 0.00 H ATOM 1121 N LEU A 429 53.495 -10.651 64.714 1.00 20.49 N ATOM 1122 CA LEU A 429 52.798 -11.809 64.157 1.00 23.81 C ATOM 1123 C LEU A 429 51.380 -11.972 64.710 1.00 25.53 C ATOM 1124 O LEU A 429 50.460 -12.331 63.976 1.00 27.90 O ATOM 1125 CB LEU A 429 53.607 -13.078 64.406 1.00 19.82 C ATOM 1126 CG LEU A 429 54.850 -13.172 63.525 1.00 22.97 C ATOM 1127 CD1 LEU A 429 55.709 -14.366 63.915 1.00 22.02 C ATOM 1128 CD2 LEU A 429 54.438 -13.255 62.062 1.00 25.55 C ATOM 1129 H LEU A 429 54.377 -10.795 65.246 1.00 0.00 H ATOM 1130 N ALA A 430 51.200 -11.696 65.999 1.00 21.74 N ATOM 1131 CA ALA A 430 49.882 -11.804 66.621 1.00 21.49 C ATOM 1132 C ALA A 430 48.925 -10.730 66.109 1.00 22.51 C ATOM 1133 O ALA A 430 47.725 -10.964 65.990 1.00 25.99 O ATOM 1134 CB ALA A 430 50.004 -11.721 68.141 1.00 24.17 C ATOM 1135 H ALA A 430 52.013 -11.398 66.575 1.00 0.00 H ATOM 1136 N THR A 431 49.455 -9.546 65.817 1.00 17.99 N ATOM 1137 CA THR A 431 48.628 -8.459 65.300 1.00 21.89 C ATOM 1138 C THR A 431 48.200 -8.779 63.874 1.00 25.85 C ATOM 1139 O THR A 431 47.081 -8.479 63.465 1.00 27.41 O ATOM 1140 CB THR A 431 49.378 -7.118 65.334 1.00 24.72 C ATOM 1141 OG1 THR A 431 49.984 -6.946 66.616 1.00 32.38 O ATOM 1142 CG2 THR A 431 48.428 -5.957 65.060 1.00 19.68 C ATOM 1143 HG1 THR A 431 50.621 -7.686 66.781 1.00 0.00 H ATOM 1144 H THR A 431 50.474 -9.392 65.959 1.00 0.00 H ATOM 1145 N SER A 432 49.102 -9.406 63.126 1.00 27.79 N ATOM 1146 CA SER A 432 48.823 -9.795 61.754 1.00 28.34 C ATOM 1147 C SER A 432 47.731 -10.869 61.695 1.00 21.48 C ATOM 1148 O SER A 432 46.811 -10.777 60.883 1.00 21.66 O ATOM 1149 CB SER A 432 50.103 -10.285 61.072 1.00 34.89 C ATOM 1150 OG SER A 432 49.942 -10.342 59.669 1.00 42.15 O ATOM 1151 HG SER A 432 49.725 -9.439 59.326 1.00 0.00 H ATOM 1152 H SER A 432 50.033 -9.624 63.534 1.00 0.00 H ATOM 1153 N SER A 433 47.827 -11.877 62.558 1.00 25.06 N ATOM 1154 CA SER A 433 46.813 -12.933 62.616 1.00 28.00 C ATOM 1155 C SER A 433 45.451 -12.355 62.960 1.00 27.68 C ATOM 1156 O SER A 433 44.426 -12.748 62.395 1.00 27.17 O ATOM 1157 CB SER A 433 47.195 -13.995 63.649 1.00 40.84 C ATOM 1158 OG SER A 433 48.483 -14.521 63.396 1.00 49.85 O ATOM 1159 HG SER A 433 49.150 -13.790 63.434 1.00 0.00 H ATOM 1160 H SER A 433 48.640 -11.916 63.206 1.00 0.00 H ATOM 1161 N ARG A 434 45.464 -11.421 63.901 1.00 21.99 N ATOM 1162 CA ARG A 434 44.267 -10.754 64.372 1.00 25.27 C ATOM 1163 C ARG A 434 43.581 -9.973 63.247 1.00 28.40 C ATOM 1164 O ARG A 434 42.359 -10.019 63.111 1.00 31.17 O ATOM 1165 CB ARG A 434 44.635 -9.849 65.551 1.00 22.45 C ATOM 1166 CG ARG A 434 43.558 -8.894 66.007 1.00 30.67 C ATOM 1167 CD ARG A 434 42.260 -9.603 66.334 1.00 40.50 C ATOM 1168 NE ARG A 434 41.316 -8.713 67.006 1.00 44.33 N ATOM 1169 CZ ARG A 434 40.080 -9.063 67.338 1.00 43.50 C ATOM 1170 NH1 ARG A 434 39.646 -10.282 67.053 1.00 47.61 N ATOM 1171 NH2 ARG A 434 39.276 -8.201 67.951 1.00 36.14 N ATOM 1172 HE ARG A 434 41.631 -7.749 67.238 1.00 0.00 H ATOM 1173 HH12 ARG A 434 38.678 -10.563 67.310 1.00 0.00 H ATOM 1174 HH11 ARG A 434 40.273 -10.958 66.572 1.00 0.00 H ATOM 1175 HH22 ARG A 434 38.309 -8.484 68.207 1.00 0.00 H ATOM 1176 HH21 ARG A 434 39.614 -7.243 68.174 1.00 0.00 H ATOM 1177 H ARG A 434 46.377 -11.154 64.321 1.00 0.00 H ATOM 1178 N PHE A 435 44.361 -9.270 62.426 1.00 26.22 N ATOM 1179 CA PHE A 435 43.796 -8.600 61.258 1.00 24.59 C ATOM 1180 C PHE A 435 43.219 -9.613 60.273 1.00 23.49 C ATOM 1181 O PHE A 435 42.190 -9.357 59.648 1.00 24.13 O ATOM 1182 CB PHE A 435 44.844 -7.725 60.558 1.00 25.46 C ATOM 1183 CG PHE A 435 45.071 -6.396 61.224 1.00 34.73 C ATOM 1184 CD1 PHE A 435 44.225 -5.960 62.231 1.00 39.91 C ATOM 1185 CD2 PHE A 435 46.122 -5.579 60.839 1.00 36.65 C ATOM 1186 CE1 PHE A 435 44.427 -4.737 62.844 1.00 40.80 C ATOM 1187 CE2 PHE A 435 46.331 -4.355 61.449 1.00 34.70 C ATOM 1188 CZ PHE A 435 45.481 -3.933 62.452 1.00 38.81 C ATOM 1189 H PHE A 435 45.380 -9.198 62.619 1.00 0.00 H ATOM 1190 N ARG A 436 43.875 -10.767 60.149 1.00 26.56 N ATOM 1191 CA ARG A 436 43.442 -11.791 59.198 1.00 28.55 C ATOM 1192 C ARG A 436 42.131 -12.427 59.634 1.00 33.43 C ATOM 1193 O ARG A 436 41.267 -12.735 58.809 1.00 34.79 O ATOM 1194 CB ARG A 436 44.507 -12.883 59.039 1.00 27.00 C ATOM 1195 CG ARG A 436 44.129 -13.950 58.011 1.00 32.59 C ATOM 1196 CD ARG A 436 45.160 -15.070 57.941 1.00 39.93 C ATOM 1197 NE ARG A 436 46.508 -14.565 58.170 1.00 44.33 N ATOM 1198 CZ ARG A 436 47.215 -14.794 59.272 1.00 43.50 C ATOM 1199 NH1 ARG A 436 46.708 -15.544 60.245 1.00 36.90 N ATOM 1200 NH2 ARG A 436 48.432 -14.282 59.398 1.00 43.70 N ATOM 1201 HE ARG A 436 46.945 -13.988 57.423 1.00 0.00 H ATOM 1202 HH12 ARG A 436 47.262 -15.722 61.107 1.00 0.00 H ATOM 1203 HH11 ARG A 436 45.757 -15.953 60.145 1.00 0.00 H ATOM 1204 HH22 ARG A 436 48.985 -14.461 60.260 1.00 0.00 H ATOM 1205 HH21 ARG A 436 48.833 -13.701 58.634 1.00 0.00 H ATOM 1206 H ARG A 436 44.712 -10.943 60.741 1.00 0.00 H ATOM 1207 N MET A 437 41.994 -12.625 60.933 1.00 34.40 N ATOM 1208 CA MET A 437 40.784 -13.214 61.485 1.00 35.12 C ATOM 1209 C MET A 437 39.606 -12.259 61.496 1.00 30.62 C ATOM 1210 O MET A 437 38.456 -12.688 61.524 1.00 31.60 O ATOM 1211 CB MET A 437 41.057 -13.720 62.887 1.00 41.55 C ATOM 1212 CG MET A 437 41.833 -14.985 62.818 1.00 47.12 C ATOM 1213 SD MET A 437 42.485 -15.596 64.361 1.00137.13 S ATOM 1214 CE MET A 437 41.228 -16.801 64.766 1.00 69.47 C ATOM 1215 H MET A 437 42.767 -12.354 61.574 1.00 0.00 H ATOM 1216 N MET A 438 39.895 -10.965 61.489 1.00 28.75 N ATOM 1217 CA MET A 438 38.847 -9.965 61.353 1.00 29.12 C ATOM 1218 C MET A 438 38.539 -9.687 59.895 1.00 27.10 C ATOM 1219 O MET A 438 37.579 -8.985 59.585 1.00 30.49 O ATOM 1220 CB MET A 438 39.246 -8.662 62.031 1.00 30.91 C ATOM 1221 CG MET A 438 39.296 -8.723 63.529 1.00 36.55 C ATOM 1222 SD MET A 438 39.790 -7.114 64.169 1.00 43.17 S ATOM 1223 CE MET A 438 38.280 -6.180 63.917 1.00 51.10 C ATOM 1224 H MET A 438 40.885 -10.660 61.582 1.00 0.00 H ATOM 1225 N ASN A 439 39.361 -10.240 59.008 1.00 30.01 N ATOM 1226 CA ASN A 439 39.299 -9.937 57.580 1.00 29.22 C ATOM 1227 C ASN A 439 39.318 -8.430 57.302 1.00 26.52 C ATOM 1228 O ASN A 439 38.482 -7.908 56.557 1.00 26.61 O ATOM 1229 CB ASN A 439 38.061 -10.570 56.942 1.00 33.70 C ATOM 1230 CG ASN A 439 38.164 -10.631 55.427 1.00 46.11 C ATOM 1231 OD1 ASN A 439 39.170 -10.218 54.848 1.00 49.78 O ATOM 1232 ND2 ASN A 439 37.129 -11.155 54.781 1.00 53.48 N ATOM 1233 HD22 ASN A 439 36.300 -11.491 55.312 1.00 0.00 H ATOM 1234 HD21 ASN A 439 37.147 -11.230 53.744 1.00 0.00 H ATOM 1235 H ASN A 439 40.077 -10.915 59.344 1.00 0.00 H ATOM 1236 N LEU A 440 40.284 -7.743 57.907 1.00 22.19 N ATOM 1237 CA LEU A 440 40.501 -6.318 57.679 1.00 23.46 C ATOM 1238 C LEU A 440 40.592 -6.002 56.187 1.00 29.52 C ATOM 1239 O LEU A 440 41.375 -6.617 55.462 1.00 33.76 O ATOM 1240 CB LEU A 440 41.781 -5.852 58.390 1.00 18.94 C ATOM 1241 CG LEU A 440 42.089 -4.355 58.325 1.00 21.69 C ATOM 1242 CD1 LEU A 440 41.087 -3.569 59.155 1.00 21.23 C ATOM 1243 CD2 LEU A 440 43.528 -4.051 58.764 1.00 20.06 C ATOM 1244 H LEU A 440 40.910 -8.243 58.570 1.00 0.00 H ATOM 1245 N GLN A 441 39.785 -5.041 55.742 1.00 24.73 N ATOM 1246 CA GLN A 441 39.764 -4.621 54.342 1.00 23.69 C ATOM 1247 C GLN A 441 40.748 -3.477 54.105 1.00 23.55 C ATOM 1248 O GLN A 441 41.089 -2.744 55.030 1.00 25.57 O ATOM 1249 CB GLN A 441 38.356 -4.182 53.930 1.00 25.18 C ATOM 1250 CG GLN A 441 37.268 -5.232 54.134 1.00 27.23 C ATOM 1251 CD GLN A 441 37.539 -6.507 53.362 1.00 36.23 C ATOM 1252 OE1 GLN A 441 37.492 -6.526 52.132 1.00 44.96 O ATOM 1253 NE2 GLN A 441 37.838 -7.580 54.085 1.00 33.05 N ATOM 1254 HE22 GLN A 441 37.866 -7.517 55.123 1.00 0.00 H ATOM 1255 HE21 GLN A 441 38.044 -8.484 53.614 1.00 0.00 H ATOM 1256 H GLN A 441 39.146 -4.572 56.415 1.00 0.00 H ATOM 1257 N GLY A 442 41.197 -3.333 52.861 1.00 25.12 N ATOM 1258 CA GLY A 442 42.112 -2.269 52.487 1.00 25.29 C ATOM 1259 C GLY A 442 41.625 -0.875 52.846 1.00 25.18 C ATOM 1260 O GLY A 442 42.400 -0.036 53.297 1.00 27.34 O ATOM 1261 H GLY A 442 40.882 -4.005 52.132 1.00 0.00 H ATOM 1262 N GLU A 443 40.336 -0.629 52.646 1.00 26.99 N ATOM 1263 CA GLU A 443 39.742 0.673 52.927 1.00 26.83 C ATOM 1264 C GLU A 443 39.803 0.995 54.409 1.00 27.73 C ATOM 1265 O GLU A 443 40.018 2.140 54.799 1.00 33.16 O ATOM 1266 CB GLU A 443 38.287 0.715 52.459 1.00 29.89 C ATOM 1267 CG GLU A 443 38.107 0.776 50.955 1.00 42.20 C ATOM 1268 CD GLU A 443 37.969 -0.591 50.302 1.00 53.25 C ATOM 1269 OE1 GLU A 443 37.965 -1.620 51.015 1.00 54.94 O ATOM 1270 OE2 GLU A 443 37.858 -0.623 49.058 1.00 58.82 O ATOM 1271 H GLU A 443 39.730 -1.389 52.277 1.00 0.00 H ATOM 1272 N GLU A 444 39.586 -0.025 55.227 1.00 26.42 N ATOM 1273 CA GLU A 444 39.666 0.125 56.675 1.00 23.66 C ATOM 1274 C GLU A 444 41.102 0.338 57.117 1.00 21.91 C ATOM 1275 O GLU A 444 41.374 1.127 58.027 1.00 22.66 O ATOM 1276 CB GLU A 444 39.076 -1.101 57.369 1.00 26.06 C ATOM 1277 CG GLU A 444 37.585 -1.289 57.118 1.00 31.55 C ATOM 1278 CD GLU A 444 37.062 -2.597 57.683 1.00 36.25 C ATOM 1279 OE1 GLU A 444 37.797 -3.605 57.611 1.00 40.17 O ATOM 1280 OE2 GLU A 444 35.923 -2.620 58.201 1.00 35.46 O ATOM 1281 H GLU A 444 39.353 -0.956 54.826 1.00 0.00 H ATOM 1282 N PHE A 445 42.019 -0.368 56.464 1.00 21.57 N ATOM 1283 CA PHE A 445 43.428 -0.243 56.794 1.00 21.85 C ATOM 1284 C PHE A 445 43.947 1.180 56.586 1.00 21.08 C ATOM 1285 O PHE A 445 44.683 1.692 57.431 1.00 19.57 O ATOM 1286 CB PHE A 445 44.265 -1.225 55.975 1.00 23.85 C ATOM 1287 CG PHE A 445 45.720 -0.853 55.890 1.00 24.10 C ATOM 1288 CD1 PHE A 445 46.566 -1.032 56.973 1.00 19.97 C ATOM 1289 CD2 PHE A 445 46.243 -0.320 54.726 1.00 22.61 C ATOM 1290 CE1 PHE A 445 47.900 -0.685 56.894 1.00 22.25 C ATOM 1291 CE2 PHE A 445 47.577 0.024 54.638 1.00 24.27 C ATOM 1292 CZ PHE A 445 48.406 -0.153 55.727 1.00 22.72 C ATOM 1293 H PHE A 445 41.724 -1.018 55.707 1.00 0.00 H ATOM 1294 N VAL A 446 43.582 1.834 55.485 1.00 15.14 N ATOM 1295 CA VAL A 446 44.137 3.172 55.261 1.00 14.98 C ATOM 1296 C VAL A 446 43.494 4.202 56.192 1.00 20.25 C ATOM 1297 O VAL A 446 44.119 5.208 56.510 1.00 23.34 O ATOM 1298 CB VAL A 446 44.014 3.634 53.790 1.00 19.44 C ATOM 1299 CG1 VAL A 446 44.958 2.817 52.901 1.00 21.20 C ATOM 1300 CG2 VAL A 446 42.577 3.554 53.294 1.00 19.87 C ATOM 1301 H VAL A 446 42.922 1.408 54.804 1.00 0.00 H ATOM 1302 N CYS A 447 42.275 3.942 56.652 1.00 18.20 N ATOM 1303 CA CYS A 447 41.688 4.783 57.704 1.00 14.90 C ATOM 1304 C CYS A 447 42.438 4.671 59.029 1.00 18.81 C ATOM 1305 O CYS A 447 42.745 5.685 59.657 1.00 18.34 O ATOM 1306 CB CYS A 447 40.219 4.431 57.928 1.00 16.05 C ATOM 1307 SG CYS A 447 39.178 4.905 56.552 1.00 27.18 S ATOM 1308 H CYS A 447 41.735 3.141 56.266 1.00 0.00 H ATOM 1309 N LEU A 448 42.704 3.440 59.461 1.00 17.60 N ATOM 1310 CA LEU A 448 43.468 3.196 60.686 1.00 23.19 C ATOM 1311 C LEU A 448 44.808 3.903 60.660 1.00 22.15 C ATOM 1312 O LEU A 448 45.228 4.501 61.651 1.00 19.16 O ATOM 1313 CB LEU A 448 43.706 1.702 60.894 1.00 25.40 C ATOM 1314 CG LEU A 448 42.476 0.807 60.998 1.00 30.07 C ATOM 1315 CD1 LEU A 448 42.903 -0.604 61.379 1.00 33.59 C ATOM 1316 CD2 LEU A 448 41.504 1.381 62.014 1.00 28.40 C ATOM 1317 H LEU A 448 42.359 2.627 58.912 1.00 0.00 H ATOM 1318 N LYS A 449 45.480 3.822 59.518 1.00 20.76 N ATOM 1319 CA LYS A 449 46.823 4.364 59.384 1.00 20.29 C ATOM 1320 C LYS A 449 46.786 5.885 59.481 1.00 19.14 C ATOM 1321 O LYS A 449 47.687 6.501 60.038 1.00 22.39 O ATOM 1322 CB LYS A 449 47.453 3.910 58.069 1.00 19.57 C ATOM 1323 CG LYS A 449 48.932 4.183 57.971 1.00 24.76 C ATOM 1324 CD LYS A 449 49.581 3.368 56.866 1.00 26.26 C ATOM 1325 CE LYS A 449 48.940 3.626 55.522 1.00 30.29 C ATOM 1326 NZ LYS A 449 49.978 3.663 54.455 1.00 37.80 N ATOM 1327 HZ1 LYS A 449 50.657 4.423 54.660 1.00 0.00 H ATOM 1328 HZ2 LYS A 449 50.476 2.750 54.426 1.00 0.00 H ATOM 1329 HZ3 LYS A 449 49.523 3.841 53.537 1.00 0.00 H ATOM 1330 H LYS A 449 45.035 3.360 58.699 1.00 0.00 H ATOM 1331 N SER A 450 45.720 6.483 58.964 1.00 18.22 N ATOM 1332 CA SER A 450 45.532 7.920 59.108 1.00 20.56 C ATOM 1333 C SER A 450 45.204 8.295 60.546 1.00 19.07 C ATOM 1334 O SER A 450 45.632 9.346 61.032 1.00 14.05 O ATOM 1335 CB SER A 450 44.432 8.415 58.172 1.00 25.75 C ATOM 1336 OG SER A 450 44.958 8.676 56.883 1.00 29.56 O ATOM 1337 HG SER A 450 44.232 8.995 56.290 1.00 0.00 H ATOM 1338 H SER A 450 45.012 5.920 58.451 1.00 0.00 H ATOM 1339 N ILE A 451 44.431 7.451 61.222 1.00 15.21 N ATOM 1340 CA ILE A 451 44.064 7.735 62.605 1.00 16.03 C ATOM 1341 C ILE A 451 45.322 7.775 63.461 1.00 15.47 C ATOM 1342 O ILE A 451 45.513 8.688 64.263 1.00 13.28 O ATOM 1343 CB ILE A 451 43.084 6.694 63.172 1.00 18.92 C ATOM 1344 CG1 ILE A 451 41.705 6.846 62.526 1.00 25.40 C ATOM 1345 CG2 ILE A 451 42.980 6.845 64.680 1.00 19.27 C ATOM 1346 CD1 ILE A 451 40.766 5.689 62.811 1.00 24.60 C ATOM 1347 H ILE A 451 44.086 6.584 60.763 1.00 0.00 H ATOM 1348 N ILE A 452 46.185 6.778 63.271 1.00 14.03 N ATOM 1349 CA ILE A 452 47.463 6.692 63.978 1.00 19.41 C ATOM 1350 C ILE A 452 48.289 7.968 63.846 1.00 19.87 C ATOM 1351 O ILE A 452 48.806 8.496 64.833 1.00 18.07 O ATOM 1352 CB ILE A 452 48.302 5.508 63.465 1.00 21.52 C ATOM 1353 CG1 ILE A 452 47.602 4.184 63.779 1.00 17.58 C ATOM 1354 CG2 ILE A 452 49.696 5.537 64.070 1.00 24.74 C ATOM 1355 CD1 ILE A 452 48.336 2.982 63.240 1.00 12.62 C ATOM 1356 H ILE A 452 45.940 6.030 62.592 1.00 0.00 H ATOM 1357 N LEU A 453 48.404 8.456 62.617 1.00 19.62 N ATOM 1358 CA LEU A 453 49.151 9.673 62.329 1.00 19.92 C ATOM 1359 C LEU A 453 48.586 10.886 63.072 1.00 22.25 C ATOM 1360 O LEU A 453 49.326 11.660 63.683 1.00 20.17 O ATOM 1361 CB LEU A 453 49.155 9.938 60.818 1.00 21.85 C ATOM 1362 CG LEU A 453 49.767 11.270 60.390 1.00 20.33 C ATOM 1363 CD1 LEU A 453 51.274 11.232 60.608 1.00 14.97 C ATOM 1364 CD2 LEU A 453 49.414 11.634 58.932 1.00 14.16 C ATOM 1365 H LEU A 453 47.945 7.952 61.832 1.00 0.00 H ATOM 1366 N LEU A 454 47.269 11.052 63.009 1.00 18.68 N ATOM 1367 CA LEU A 454 46.633 12.220 63.606 1.00 19.11 C ATOM 1368 C LEU A 454 46.440 12.079 65.116 1.00 21.09 C ATOM 1369 O LEU A 454 46.492 13.064 65.844 1.00 19.67 O ATOM 1370 CB LEU A 454 45.294 12.488 62.920 1.00 18.07 C ATOM 1371 CG LEU A 454 45.472 12.757 61.424 1.00 23.58 C ATOM 1372 CD1 LEU A 454 44.146 13.057 60.754 1.00 27.70 C ATOM 1373 CD2 LEU A 454 46.458 13.912 61.224 1.00 24.83 C ATOM 1374 H LEU A 454 46.684 10.339 62.527 1.00 0.00 H ATOM 1375 N ASN A 455 46.257 10.854 65.597 1.00 18.48 N ATOM 1376 CA ASN A 455 45.923 10.660 67.005 1.00 21.85 C ATOM 1377 C ASN A 455 47.119 10.545 67.952 1.00 27.22 C ATOM 1378 O ASN A 455 47.064 11.029 69.080 1.00 31.54 O ATOM 1379 CB ASN A 455 45.043 9.416 67.172 1.00 20.40 C ATOM 1380 CG ASN A 455 44.705 9.143 68.632 1.00 24.20 C ATOM 1381 OD1 ASN A 455 44.039 9.943 69.287 1.00 27.19 O ATOM 1382 ND2 ASN A 455 45.176 8.014 69.145 1.00 22.07 N ATOM 1383 HD22 ASN A 455 45.735 7.367 68.553 1.00 0.00 H ATOM 1384 HD21 ASN A 455 44.986 7.776 70.139 1.00 0.00 H ATOM 1385 H ASN A 455 46.352 10.031 64.969 1.00 0.00 H ATOM 1386 N SER A 456 48.196 9.911 67.501 1.00 26.02 N ATOM 1387 CA SER A 456 49.231 9.438 68.423 1.00 26.76 C ATOM 1388 C SER A 456 50.019 10.547 69.119 1.00 25.65 C ATOM 1389 O SER A 456 50.478 10.371 70.247 1.00 28.25 O ATOM 1390 CB SER A 456 50.191 8.505 67.684 1.00 29.87 C ATOM 1391 OG SER A 456 49.488 7.398 67.147 1.00 32.63 O ATOM 1392 HG SER A 456 48.800 7.722 66.513 1.00 0.00 H ATOM 1393 H SER A 456 48.306 9.748 66.480 1.00 0.00 H ATOM 1394 N GLY A 457 50.180 11.684 68.456 1.00 26.19 N ATOM 1395 CA GLY A 457 50.893 12.795 69.057 1.00 28.84 C ATOM 1396 C GLY A 457 49.980 13.893 69.566 1.00 32.40 C ATOM 1397 O GLY A 457 50.446 14.901 70.103 1.00 32.73 O ATOM 1398 H GLY A 457 49.791 11.780 67.496 1.00 0.00 H ATOM 1399 N VAL A 458 48.673 13.699 69.415 1.00 30.67 N ATOM 1400 CA VAL A 458 47.728 14.788 69.649 1.00 35.64 C ATOM 1401 C VAL A 458 47.605 15.182 71.129 1.00 41.08 C ATOM 1402 O VAL A 458 47.550 16.370 71.449 1.00 42.31 O ATOM 1403 CB VAL A 458 46.330 14.435 69.089 1.00 37.23 C ATOM 1404 CG1 VAL A 458 45.529 13.607 70.089 1.00 32.81 C ATOM 1405 CG2 VAL A 458 45.576 15.705 68.716 1.00 46.30 C ATOM 1406 H VAL A 458 48.321 12.764 69.128 1.00 0.00 H ATOM 1407 N TYR A 459 47.563 14.205 72.029 1.00 43.01 N ATOM 1408 CA TYR A 459 47.440 14.509 73.453 1.00 50.69 C ATOM 1409 C TYR A 459 48.826 14.655 74.044 1.00 55.66 C ATOM 1410 O TYR A 459 49.069 14.262 75.182 1.00 61.40 O ATOM 1411 CB TYR A 459 46.660 13.424 74.208 1.00 50.01 C ATOM 1412 CG TYR A 459 45.388 12.970 73.526 1.00 51.25 C ATOM 1413 CD1 TYR A 459 44.243 13.764 73.528 1.00 53.81 C ATOM 1414 CD2 TYR A 459 45.331 11.742 72.884 1.00 51.55 C ATOM 1415 CE1 TYR A 459 43.077 13.342 72.896 1.00 55.61 C ATOM 1416 CE2 TYR A 459 44.179 11.314 72.255 1.00 56.06 C ATOM 1417 CZ TYR A 459 43.055 12.112 72.261 1.00 60.08 C ATOM 1418 OH TYR A 459 41.916 11.664 71.626 1.00 64.80 O ATOM 1419 HH TYR A 459 41.201 12.342 71.717 1.00 0.00 H ATOM 1420 H TYR A 459 47.618 13.215 71.717 1.00 0.00 H ATOM 1421 N THR A 460 49.752 15.190 73.265 1.00 56.76 N ATOM 1422 CA THR A 460 51.098 15.356 73.785 1.00 58.04 C ATOM 1423 C THR A 460 51.680 16.657 73.236 1.00 63.31 C ATOM 1424 O THR A 460 52.896 16.842 73.195 1.00 67.05 O ATOM 1425 CB THR A 460 51.991 14.109 73.466 1.00 48.48 C ATOM 1426 OG1 THR A 460 52.990 14.428 72.493 1.00 47.77 O ATOM 1427 CG2 THR A 460 51.142 12.927 72.966 1.00 41.51 C ATOM 1428 HG1 THR A 460 53.568 15.152 72.841 1.00 0.00 H ATOM 1429 H THR A 460 49.520 15.487 72.296 1.00 0.00 H ATOM 1430 N PHE A 461 50.779 17.559 72.850 1.00 63.22 N ATOM 1431 CA PHE A 461 51.117 18.916 72.422 1.00 64.44 C ATOM 1432 C PHE A 461 51.654 18.937 70.999 1.00 63.75 C ATOM 1433 O PHE A 461 51.179 19.709 70.166 1.00 64.91 O ATOM 1434 CB PHE A 461 52.124 19.551 73.383 1.00 65.03 C ATOM 1435 H PHE A 461 49.777 17.282 72.853 1.00 0.00 H TER 1436 PHE A 461 ATOM 1437 N LYS A 472 44.538 21.405 67.293 1.00 55.25 N ATOM 1438 CA LYS A 472 44.198 20.323 68.211 1.00 54.40 C ATOM 1439 C LYS A 472 42.723 19.961 68.069 1.00 58.56 C ATOM 1440 O LYS A 472 42.372 18.788 67.922 1.00 64.06 O ATOM 1441 CB LYS A 472 44.520 20.716 69.656 1.00 51.86 C ATOM 1442 CG LYS A 472 44.403 19.569 70.653 1.00 50.42 C ATOM 1443 CD LYS A 472 44.424 20.054 72.101 1.00 52.51 C ATOM 1444 CE LYS A 472 45.822 20.006 72.703 1.00 54.68 C ATOM 1445 NZ LYS A 472 45.790 20.130 74.190 1.00 57.68 N ATOM 1446 HZ1 LYS A 472 45.352 21.036 74.452 1.00 0.00 H ATOM 1447 HZ2 LYS A 472 45.235 19.347 74.590 1.00 0.00 H ATOM 1448 HZ3 LYS A 472 46.761 20.093 74.561 1.00 0.00 H ATOM 1449 HN3 LYS A 472 43.958 22.240 67.513 1.00 0.00 H ATOM 1450 HN2 LYS A 472 44.353 21.100 66.316 1.00 0.00 H ATOM 1451 HN1 LYS A 472 45.545 21.644 67.398 1.00 0.00 H ATOM 1452 N ASP A 473 41.861 20.973 68.111 1.00 58.00 N ATOM 1453 CA ASP A 473 40.441 20.768 67.858 1.00 57.21 C ATOM 1454 C ASP A 473 40.239 20.544 66.361 1.00 55.18 C ATOM 1455 O ASP A 473 39.278 19.903 65.937 1.00 55.22 O ATOM 1456 CB ASP A 473 39.607 21.955 68.357 1.00 60.90 C ATOM 1457 CG ASP A 473 38.263 21.529 68.942 1.00 65.10 C ATOM 1458 OD1 ASP A 473 37.448 20.949 68.193 1.00 67.17 O ATOM 1459 OD2 ASP A 473 38.016 21.776 70.145 1.00 65.49 O ATOM 1460 H ASP A 473 42.207 21.929 68.329 1.00 0.00 H ATOM 1461 N HIS A 474 41.164 21.076 65.565 1.00 51.39 N ATOM 1462 CA HIS A 474 41.175 20.828 64.128 1.00 50.47 C ATOM 1463 C HIS A 474 41.358 19.349 63.847 1.00 47.04 C ATOM 1464 O HIS A 474 40.595 18.725 63.100 1.00 43.33 O ATOM 1465 CB HIS A 474 42.303 21.601 63.456 1.00 51.09 C ATOM 1466 CG HIS A 474 42.494 21.240 62.016 1.00 50.21 C ATOM 1467 ND1 HIS A 474 41.447 21.199 61.120 1.00 50.03 N ATOM 1468 CD2 HIS A 474 43.600 20.892 61.318 1.00 52.81 C ATOM 1469 CE1 HIS A 474 41.903 20.854 59.931 1.00 49.65 C ATOM 1470 NE2 HIS A 474 43.206 20.662 60.024 1.00 53.27 N ATOM 1471 H HIS A 474 41.898 21.685 65.979 1.00 0.00 H ATOM 1472 N ILE A 475 42.407 18.813 64.447 1.00 45.09 N ATOM 1473 CA ILE A 475 42.739 17.408 64.344 1.00 40.86 C ATOM 1474 C ILE A 475 41.587 16.524 64.814 1.00 38.47 C ATOM 1475 O ILE A 475 41.380 15.434 64.286 1.00 39.35 O ATOM 1476 CB ILE A 475 43.999 17.097 65.163 1.00 41.36 C ATOM 1477 CG1 ILE A 475 45.226 17.703 64.479 1.00 42.25 C ATOM 1478 CG2 ILE A 475 44.165 15.599 65.357 1.00 41.67 C ATOM 1479 CD1 ILE A 475 46.532 17.267 65.084 1.00 43.75 C ATOM 1480 H ILE A 475 43.021 19.428 65.018 1.00 0.00 H ATOM 1481 N HIS A 476 40.828 17.002 65.793 1.00 40.03 N ATOM 1482 CA HIS A 476 39.749 16.202 66.363 1.00 40.54 C ATOM 1483 C HIS A 476 38.573 16.045 65.408 1.00 36.43 C ATOM 1484 O HIS A 476 37.881 15.028 65.438 1.00 32.54 O ATOM 1485 CB HIS A 476 39.282 16.813 67.684 1.00 45.16 C ATOM 1486 CG HIS A 476 40.133 16.423 68.851 1.00 48.94 C ATOM 1487 ND1 HIS A 476 40.929 15.298 68.842 1.00 51.90 N ATOM 1488 CD2 HIS A 476 40.322 17.007 70.058 1.00 51.83 C ATOM 1489 CE1 HIS A 476 41.569 15.204 69.993 1.00 52.98 C ATOM 1490 NE2 HIS A 476 41.218 16.228 70.749 1.00 54.47 N ATOM 1491 H HIS A 476 41.005 17.959 66.158 1.00 0.00 H ATOM 1492 N ARG A 477 38.362 17.040 64.557 1.00 39.05 N ATOM 1493 CA ARG A 477 37.251 17.011 63.608 1.00 41.89 C ATOM 1494 C ARG A 477 37.554 16.102 62.435 1.00 37.73 C ATOM 1495 O ARG A 477 36.679 15.382 61.942 1.00 36.57 O ATOM 1496 CB ARG A 477 36.931 18.420 63.125 1.00 51.00 C ATOM 1497 CG ARG A 477 36.283 19.241 64.217 1.00 59.18 C ATOM 1498 CD ARG A 477 35.784 20.580 63.733 1.00 66.58 C ATOM 1499 NE ARG A 477 36.733 21.647 64.020 1.00 72.35 N ATOM 1500 CZ ARG A 477 37.509 22.212 63.105 1.00 76.46 C ATOM 1501 NH1 ARG A 477 37.448 21.807 61.842 1.00 78.02 N ATOM 1502 NH2 ARG A 477 38.352 23.178 63.446 1.00 77.21 N ATOM 1503 HE ARG A 477 36.806 21.986 65.001 1.00 0.00 H ATOM 1504 HH12 ARG A 477 38.056 22.250 61.124 1.00 0.00 H ATOM 1505 HH11 ARG A 477 36.792 21.047 61.571 1.00 0.00 H ATOM 1506 HH22 ARG A 477 38.958 23.618 62.724 1.00 0.00 H ATOM 1507 HH21 ARG A 477 38.407 23.496 64.435 1.00 0.00 H ATOM 1508 H ARG A 477 39.002 17.860 64.565 1.00 0.00 H ATOM 1509 N VAL A 478 38.805 16.134 62.001 1.00 33.29 N ATOM 1510 CA VAL A 478 39.267 15.235 60.965 1.00 29.21 C ATOM 1511 C VAL A 478 39.237 13.795 61.472 1.00 27.08 C ATOM 1512 O VAL A 478 38.848 12.885 60.740 1.00 24.91 O ATOM 1513 CB VAL A 478 40.675 15.613 60.496 1.00 27.77 C ATOM 1514 CG1 VAL A 478 41.274 14.491 59.659 1.00 24.47 C ATOM 1515 CG2 VAL A 478 40.621 16.931 59.714 1.00 26.60 C ATOM 1516 H VAL A 478 39.469 16.820 62.413 1.00 0.00 H ATOM 1517 N LEU A 479 39.628 13.584 62.725 1.00 25.49 N ATOM 1518 CA LEU A 479 39.526 12.254 63.313 1.00 26.49 C ATOM 1519 C LEU A 479 38.070 11.782 63.348 1.00 26.50 C ATOM 1520 O LEU A 479 37.787 10.624 63.046 1.00 30.47 O ATOM 1521 CB LEU A 479 40.128 12.231 64.718 1.00 28.34 C ATOM 1522 CG LEU A 479 41.651 12.136 64.800 1.00 26.22 C ATOM 1523 CD1 LEU A 479 42.122 12.333 66.233 1.00 23.39 C ATOM 1524 CD2 LEU A 479 42.129 10.791 64.252 1.00 26.80 C ATOM 1525 H LEU A 479 40.008 14.371 63.288 1.00 0.00 H ATOM 1526 N ASP A 480 37.153 12.675 63.712 1.00 26.60 N ATOM 1527 CA ASP A 480 35.729 12.346 63.692 1.00 27.65 C ATOM 1528 C ASP A 480 35.281 11.964 62.278 1.00 26.50 C ATOM 1529 O ASP A 480 34.469 11.054 62.100 1.00 26.04 O ATOM 1530 CB ASP A 480 34.883 13.520 64.199 1.00 34.82 C ATOM 1531 CG ASP A 480 34.808 13.605 65.725 1.00 45.62 C ATOM 1532 OD1 ASP A 480 35.664 13.036 66.446 1.00 51.50 O ATOM 1533 OD2 ASP A 480 33.872 14.283 66.197 1.00 45.46 O ATOM 1534 H ASP A 480 37.455 13.623 64.016 1.00 0.00 H ATOM 1535 N LYS A 481 35.796 12.665 61.272 1.00 28.63 N ATOM 1536 CA LYS A 481 35.443 12.371 59.886 1.00 27.97 C ATOM 1537 C LYS A 481 35.956 10.996 59.445 1.00 24.15 C ATOM 1538 O LYS A 481 35.289 10.298 58.680 1.00 22.97 O ATOM 1539 CB LYS A 481 35.974 13.454 58.943 1.00 34.25 C ATOM 1540 CG LYS A 481 35.982 13.025 57.477 1.00 43.62 C ATOM 1541 CD LYS A 481 35.091 13.883 56.572 1.00 50.57 C ATOM 1542 CE LYS A 481 33.631 13.877 57.004 1.00 53.63 C ATOM 1543 NZ LYS A 481 33.372 14.879 58.074 1.00 53.97 N ATOM 1544 HZ1 LYS A 481 33.961 14.660 58.903 1.00 0.00 H ATOM 1545 HZ2 LYS A 481 33.607 15.829 57.722 1.00 0.00 H ATOM 1546 HZ3 LYS A 481 32.368 14.846 58.342 1.00 0.00 H ATOM 1547 H LYS A 481 36.462 13.437 61.476 1.00 0.00 H ATOM 1548 N ILE A 482 37.130 10.594 59.915 1.00 19.43 N ATOM 1549 CA ILE A 482 37.601 9.260 59.566 1.00 22.66 C ATOM 1550 C ILE A 482 36.729 8.202 60.251 1.00 24.99 C ATOM 1551 O ILE A 482 36.473 7.137 59.687 1.00 27.34 O ATOM 1552 CB ILE A 482 39.072 9.066 59.939 1.00 19.62 C ATOM 1553 CG1 ILE A 482 39.935 10.072 59.176 1.00 24.29 C ATOM 1554 CG2 ILE A 482 39.505 7.638 59.603 1.00 17.10 C ATOM 1555 CD1 ILE A 482 41.350 10.163 59.678 1.00 26.97 C ATOM 1556 H ILE A 482 37.702 11.218 60.520 1.00 0.00 H ATOM 1557 N THR A 483 36.253 8.501 61.454 1.00 27.88 N ATOM 1558 CA THR A 483 35.344 7.593 62.148 1.00 27.19 C ATOM 1559 C THR A 483 34.074 7.369 61.322 1.00 25.15 C ATOM 1560 O THR A 483 33.665 6.230 61.092 1.00 26.55 O ATOM 1561 CB THR A 483 34.968 8.118 63.548 1.00 25.55 C ATOM 1562 OG1 THR A 483 36.153 8.250 64.344 1.00 25.40 O ATOM 1563 CG2 THR A 483 34.008 7.160 64.230 1.00 25.54 C ATOM 1564 HG1 THR A 483 35.910 8.587 65.242 1.00 0.00 H ATOM 1565 H THR A 483 36.531 9.394 61.908 1.00 0.00 H ATOM 1566 N ASP A 484 33.464 8.463 60.870 1.00 22.87 N ATOM 1567 CA ASP A 484 32.295 8.395 59.994 1.00 30.75 C ATOM 1568 C ASP A 484 32.596 7.595 58.733 1.00 31.54 C ATOM 1569 O ASP A 484 31.743 6.860 58.234 1.00 28.80 O ATOM 1570 CB ASP A 484 31.819 9.798 59.596 1.00 32.14 C ATOM 1571 CG ASP A 484 31.503 10.681 60.788 1.00 31.93 C ATOM 1572 OD1 ASP A 484 31.087 10.154 61.840 1.00 34.93 O ATOM 1573 OD2 ASP A 484 31.666 11.914 60.667 1.00 28.65 O ATOM 1574 H ASP A 484 33.831 9.395 61.149 1.00 0.00 H ATOM 1575 N THR A 485 33.807 7.761 58.206 1.00 30.01 N ATOM 1576 CA THR A 485 34.215 7.061 56.993 1.00 31.90 C ATOM 1577 C THR A 485 34.305 5.562 57.249 1.00 28.02 C ATOM 1578 O THR A 485 33.902 4.749 56.411 1.00 25.24 O ATOM 1579 CB THR A 485 35.567 7.577 56.460 1.00 32.04 C ATOM 1580 OG1 THR A 485 35.457 8.963 56.113 1.00 34.52 O ATOM 1581 CG2 THR A 485 35.988 6.784 55.235 1.00 24.00 C ATOM 1582 HG1 THR A 485 35.201 9.484 56.915 1.00 0.00 H ATOM 1583 H THR A 485 34.478 8.405 58.670 1.00 0.00 H ATOM 1584 N LEU A 486 34.842 5.203 58.415 1.00 25.83 N ATOM 1585 CA LEU A 486 34.917 3.806 58.834 1.00 22.87 C ATOM 1586 C LEU A 486 33.538 3.183 58.958 1.00 23.39 C ATOM 1587 O LEU A 486 33.290 2.095 58.438 1.00 25.01 O ATOM 1588 CB LEU A 486 35.646 3.678 60.168 1.00 20.58 C ATOM 1589 CG LEU A 486 37.166 3.563 60.092 1.00 23.36 C ATOM 1590 CD1 LEU A 486 37.778 3.723 61.478 1.00 23.15 C ATOM 1591 CD2 LEU A 486 37.562 2.234 59.468 1.00 23.09 C ATOM 1592 H LEU A 486 35.219 5.940 59.045 1.00 0.00 H ATOM 1593 N ILE A 487 32.652 3.874 59.668 1.00 21.18 N ATOM 1594 CA ILE A 487 31.284 3.411 59.844 1.00 20.60 C ATOM 1595 C ILE A 487 30.628 3.216 58.480 1.00 26.50 C ATOM 1596 O ILE A 487 29.988 2.197 58.229 1.00 28.55 O ATOM 1597 CB ILE A 487 30.456 4.395 60.697 1.00 20.94 C ATOM 1598 CG1 ILE A 487 30.902 4.343 62.160 1.00 23.76 C ATOM 1599 CG2 ILE A 487 28.976 4.068 60.610 1.00 22.17 C ATOM 1600 CD1 ILE A 487 30.646 2.992 62.822 1.00 23.71 C ATOM 1601 H ILE A 487 32.944 4.769 60.109 1.00 0.00 H ATOM 1602 N HIS A 488 30.814 4.192 57.598 1.00 29.05 N ATOM 1603 CA HIS A 488 30.262 4.128 56.246 1.00 33.02 C ATOM 1604 C HIS A 488 30.713 2.877 55.480 1.00 33.01 C ATOM 1605 O HIS A 488 29.900 2.218 54.835 1.00 35.13 O ATOM 1606 CB HIS A 488 30.645 5.391 55.470 1.00 40.15 C ATOM 1607 CG HIS A 488 30.164 5.401 54.053 1.00 45.22 C ATOM 1608 ND1 HIS A 488 30.998 5.150 52.984 1.00 47.33 N ATOM 1609 CD2 HIS A 488 28.938 5.633 53.527 1.00 49.06 C ATOM 1610 CE1 HIS A 488 30.306 5.225 51.861 1.00 48.48 C ATOM 1611 NE2 HIS A 488 29.053 5.515 52.163 1.00 50.63 N ATOM 1612 H HIS A 488 31.369 5.026 57.878 1.00 0.00 H ATOM 1613 N LEU A 489 32.000 2.545 55.553 1.00 31.18 N ATOM 1614 CA LEU A 489 32.511 1.349 54.883 1.00 31.47 C ATOM 1615 C LEU A 489 31.859 0.079 55.422 1.00 29.51 C ATOM 1616 O LEU A 489 31.497 -0.814 54.656 1.00 31.47 O ATOM 1617 CB LEU A 489 34.030 1.249 55.032 1.00 31.41 C ATOM 1618 CG LEU A 489 34.869 2.347 54.379 1.00 29.34 C ATOM 1619 CD1 LEU A 489 36.265 2.351 54.968 1.00 31.02 C ATOM 1620 CD2 LEU A 489 34.929 2.168 52.876 1.00 28.23 C ATOM 1621 H LEU A 489 32.653 3.146 56.095 1.00 0.00 H ATOM 1622 N MET A 490 31.706 0.000 56.742 1.00 25.18 N ATOM 1623 CA MET A 490 31.094 -1.171 57.365 1.00 26.85 C ATOM 1624 C MET A 490 29.616 -1.271 57.011 1.00 30.47 C ATOM 1625 O MET A 490 29.113 -2.354 56.709 1.00 30.55 O ATOM 1626 CB MET A 490 31.270 -1.126 58.881 1.00 23.54 C ATOM 1627 CG MET A 490 32.724 -1.095 59.322 1.00 23.26 C ATOM 1628 SD MET A 490 32.872 -0.828 61.092 1.00 36.86 S ATOM 1629 CE MET A 490 34.589 -0.317 61.227 1.00 37.20 C ATOM 1630 H MET A 490 32.028 0.787 57.341 1.00 0.00 H ATOM 1631 N ALA A 491 28.930 -0.136 57.045 1.00 31.91 N ATOM 1632 CA ALA A 491 27.532 -0.095 56.647 1.00 34.62 C ATOM 1633 C ALA A 491 27.360 -0.645 55.232 1.00 37.64 C ATOM 1634 O ALA A 491 26.437 -1.416 54.965 1.00 35.51 O ATOM 1635 CB ALA A 491 26.992 1.325 56.735 1.00 29.25 C ATOM 1636 H ALA A 491 29.399 0.737 57.361 1.00 0.00 H ATOM 1637 N LYS A 492 28.256 -0.270 54.325 1.00 39.07 N ATOM 1638 CA LYS A 492 28.059 -0.658 52.935 1.00 41.40 C ATOM 1639 C LYS A 492 28.602 -2.066 52.664 1.00 40.48 C ATOM 1640 O LYS A 492 28.259 -2.684 51.657 1.00 38.72 O ATOM 1641 CB LYS A 492 28.654 0.402 51.994 1.00 41.18 C ATOM 1642 CG LYS A 492 30.031 0.182 51.404 1.00 44.27 C ATOM 1643 CD LYS A 492 30.246 1.276 50.345 1.00 49.09 C ATOM 1644 CE LYS A 492 31.542 1.128 49.574 1.00 50.67 C ATOM 1645 NZ LYS A 492 32.723 1.365 50.443 1.00 51.93 N ATOM 1646 HZ1 LYS A 492 32.679 2.329 50.831 1.00 0.00 H ATOM 1647 HZ2 LYS A 492 32.722 0.676 51.222 1.00 0.00 H ATOM 1648 HZ3 LYS A 492 33.592 1.255 49.882 1.00 0.00 H ATOM 1649 H LYS A 492 29.085 0.292 54.604 1.00 0.00 H ATOM 1650 N ALA A 493 29.397 -2.594 53.590 1.00 40.62 N ATOM 1651 CA ALA A 493 29.735 -4.015 53.577 1.00 36.17 C ATOM 1652 C ALA A 493 28.562 -4.832 54.125 1.00 37.67 C ATOM 1653 O ALA A 493 28.578 -6.059 54.093 1.00 42.27 O ATOM 1654 CB ALA A 493 30.993 -4.280 54.383 1.00 32.43 C ATOM 1655 H ALA A 493 29.785 -1.984 54.337 1.00 0.00 H ATOM 1656 N GLY A 494 27.551 -4.138 54.637 1.00 35.43 N ATOM 1657 CA GLY A 494 26.326 -4.784 55.071 1.00 34.03 C ATOM 1658 C GLY A 494 26.286 -5.259 56.514 1.00 33.40 C ATOM 1659 O GLY A 494 25.446 -6.077 56.875 1.00 32.92 O ATOM 1660 H GLY A 494 27.640 -3.106 54.729 1.00 0.00 H ATOM 1661 N LEU A 495 27.187 -4.758 57.347 1.00 30.23 N ATOM 1662 CA LEU A 495 27.134 -5.090 58.766 1.00 32.59 C ATOM 1663 C LEU A 495 25.938 -4.405 59.411 1.00 29.14 C ATOM 1664 O LEU A 495 25.617 -3.272 59.058 1.00 26.86 O ATOM 1665 CB LEU A 495 28.410 -4.663 59.479 1.00 25.12 C ATOM 1666 CG LEU A 495 29.690 -5.492 59.409 1.00 25.86 C ATOM 1667 CD1 LEU A 495 30.334 -5.448 58.039 1.00 27.01 C ATOM 1668 CD2 LEU A 495 30.637 -4.939 60.450 1.00 21.91 C ATOM 1669 H LEU A 495 27.932 -4.128 56.988 1.00 0.00 H ATOM 1670 N THR A 496 25.288 -5.070 60.360 1.00 26.76 N ATOM 1671 CA THR A 496 24.173 -4.448 61.079 1.00 29.74 C ATOM 1672 C THR A 496 24.686 -3.265 61.896 1.00 26.18 C ATOM 1673 O THR A 496 25.894 -3.060 62.003 1.00 24.90 O ATOM 1674 CB THR A 496 23.466 -5.431 62.017 1.00 30.46 C ATOM 1675 OG1 THR A 496 24.325 -5.727 63.126 1.00 27.83 O ATOM 1676 CG2 THR A 496 23.110 -6.717 61.279 1.00 29.31 C ATOM 1677 HG1 THR A 496 25.165 -6.131 62.793 1.00 0.00 H ATOM 1678 H THR A 496 25.574 -6.042 60.595 1.00 0.00 H ATOM 1679 N LEU A 497 23.785 -2.487 62.482 1.00 26.68 N ATOM 1680 CA LEU A 497 24.222 -1.296 63.202 1.00 29.17 C ATOM 1681 C LEU A 497 25.020 -1.665 64.451 1.00 24.66 C ATOM 1682 O LEU A 497 25.989 -0.987 64.783 1.00 23.51 O ATOM 1683 CB LEU A 497 23.035 -0.407 63.565 1.00 29.86 C ATOM 1684 CG LEU A 497 23.367 1.050 63.900 1.00 32.37 C ATOM 1685 CD1 LEU A 497 24.358 1.649 62.907 1.00 33.07 C ATOM 1686 CD2 LEU A 497 22.094 1.868 63.934 1.00 34.58 C ATOM 1687 H LEU A 497 22.774 -2.725 62.428 1.00 0.00 H ATOM 1688 N GLN A 498 24.631 -2.742 65.133 1.00 25.13 N ATOM 1689 CA GLN A 498 25.393 -3.224 66.291 1.00 26.00 C ATOM 1690 C GLN A 498 26.791 -3.685 65.903 1.00 23.76 C ATOM 1691 O GLN A 498 27.767 -3.410 66.601 1.00 28.08 O ATOM 1692 CB GLN A 498 24.673 -4.379 66.984 1.00 29.99 C ATOM 1693 CG GLN A 498 23.496 -3.980 67.838 1.00 41.05 C ATOM 1694 CD GLN A 498 22.812 -5.184 68.454 1.00 47.55 C ATOM 1695 OE1 GLN A 498 23.375 -6.279 68.498 1.00 52.38 O ATOM 1696 NE2 GLN A 498 21.586 -4.991 68.929 1.00 45.53 N ATOM 1697 HE22 GLN A 498 21.148 -4.049 68.871 1.00 0.00 H ATOM 1698 HE21 GLN A 498 21.064 -5.782 69.358 1.00 0.00 H ATOM 1699 H GLN A 498 23.772 -3.250 64.839 1.00 0.00 H ATOM 1700 N GLN A 499 26.871 -4.412 64.793 1.00 23.61 N ATOM 1701 CA GLN A 499 28.148 -4.918 64.305 1.00 22.78 C ATOM 1702 C GLN A 499 29.058 -3.772 63.907 1.00 21.75 C ATOM 1703 O GLN A 499 30.277 -3.877 64.000 1.00 20.79 O ATOM 1704 CB GLN A 499 27.936 -5.867 63.122 1.00 23.63 C ATOM 1705 CG GLN A 499 27.362 -7.211 63.526 1.00 28.63 C ATOM 1706 CD GLN A 499 26.871 -8.028 62.343 1.00 37.87 C ATOM 1707 OE1 GLN A 499 26.534 -7.480 61.294 1.00 36.58 O ATOM 1708 NE2 GLN A 499 26.823 -9.343 62.513 1.00 45.96 N ATOM 1709 HE22 GLN A 499 27.118 -9.761 63.418 1.00 0.00 H ATOM 1710 HE21 GLN A 499 26.490 -9.955 61.741 1.00 0.00 H ATOM 1711 H GLN A 499 26.003 -4.625 64.261 1.00 0.00 H ATOM 1712 N GLN A 500 28.465 -2.668 63.474 1.00 22.56 N ATOM 1713 CA GLN A 500 29.266 -1.527 63.085 1.00 25.20 C ATOM 1714 C GLN A 500 29.994 -0.965 64.306 1.00 23.32 C ATOM 1715 O GLN A 500 31.204 -0.761 64.262 1.00 19.27 O ATOM 1716 CB GLN A 500 28.403 -0.465 62.403 1.00 30.78 C ATOM 1717 CG GLN A 500 27.833 -0.928 61.066 1.00 34.24 C ATOM 1718 CD GLN A 500 26.802 0.028 60.501 1.00 33.29 C ATOM 1719 OE1 GLN A 500 26.844 1.229 60.765 1.00 30.30 O ATOM 1720 NE2 GLN A 500 25.866 -0.502 59.718 1.00 30.90 N ATOM 1721 HE22 GLN A 500 25.869 -1.523 59.522 1.00 0.00 H ATOM 1722 HE21 GLN A 500 25.131 0.105 59.302 1.00 0.00 H ATOM 1723 H GLN A 500 27.428 -2.622 63.414 1.00 0.00 H ATOM 1724 N HIS A 501 29.289 -0.746 65.415 1.00 25.13 N ATOM 1725 CA HIS A 501 29.989 -0.170 66.558 1.00 22.15 C ATOM 1726 C HIS A 501 30.891 -1.211 67.237 1.00 21.44 C ATOM 1727 O HIS A 501 31.921 -0.852 67.793 1.00 23.88 O ATOM 1728 CB HIS A 501 29.012 0.485 67.561 1.00 22.66 C ATOM 1729 CG HIS A 501 28.152 -0.469 68.337 1.00 29.90 C ATOM 1730 ND1 HIS A 501 26.774 -0.406 68.308 1.00 31.90 N ATOM 1731 CD2 HIS A 501 28.462 -1.452 69.215 1.00 32.53 C ATOM 1732 CE1 HIS A 501 26.274 -1.333 69.105 1.00 36.07 C ATOM 1733 NE2 HIS A 501 27.277 -1.982 69.668 1.00 34.32 N ATOM 1734 H HIS A 501 28.276 -0.977 65.464 1.00 0.00 H ATOM 1735 N GLN A 502 30.546 -2.492 67.156 1.00 21.78 N ATOM 1736 CA GLN A 502 31.414 -3.524 67.721 1.00 20.96 C ATOM 1737 C GLN A 502 32.718 -3.619 66.932 1.00 21.57 C ATOM 1738 O GLN A 502 33.804 -3.700 67.506 1.00 23.62 O ATOM 1739 CB GLN A 502 30.706 -4.883 67.751 1.00 21.96 C ATOM 1740 CG GLN A 502 29.699 -5.014 68.885 1.00 26.76 C ATOM 1741 CD GLN A 502 28.878 -6.288 68.804 1.00 37.59 C ATOM 1742 OE1 GLN A 502 29.126 -7.150 67.961 1.00 44.65 O ATOM 1743 NE2 GLN A 502 27.888 -6.408 69.683 1.00 35.24 N ATOM 1744 HE22 GLN A 502 27.715 -5.654 70.378 1.00 0.00 H ATOM 1745 HE21 GLN A 502 27.286 -7.256 69.676 1.00 0.00 H ATOM 1746 H GLN A 502 29.656 -2.761 66.689 1.00 0.00 H ATOM 1747 N ARG A 503 32.607 -3.599 65.608 1.00 20.50 N ATOM 1748 CA ARG A 503 33.790 -3.674 64.767 1.00 20.89 C ATOM 1749 C ARG A 503 34.624 -2.403 64.878 1.00 22.63 C ATOM 1750 O ARG A 503 35.852 -2.468 64.869 1.00 19.96 O ATOM 1751 CB ARG A 503 33.404 -3.932 63.308 1.00 20.86 C ATOM 1752 CG ARG A 503 34.610 -4.103 62.391 1.00 20.57 C ATOM 1753 CD ARG A 503 34.197 -4.658 61.046 1.00 24.30 C ATOM 1754 NE ARG A 503 35.330 -4.814 60.137 1.00 31.83 N ATOM 1755 CZ ARG A 503 36.054 -5.924 60.030 1.00 33.75 C ATOM 1756 NH1 ARG A 503 35.766 -6.973 60.786 1.00 31.19 N ATOM 1757 NH2 ARG A 503 37.064 -5.985 59.173 1.00 34.06 N ATOM 1758 HE ARG A 503 35.587 -4.005 59.535 1.00 0.00 H ATOM 1759 HH12 ARG A 503 36.330 -7.843 60.705 1.00 0.00 H ATOM 1760 HH11 ARG A 503 34.976 -6.927 61.460 1.00 0.00 H ATOM 1761 HH22 ARG A 503 37.627 -6.856 59.094 1.00 0.00 H ATOM 1762 HH21 ARG A 503 37.293 -5.162 58.580 1.00 0.00 H ATOM 1763 H ARG A 503 31.666 -3.529 65.170 1.00 0.00 H ATOM 1764 N LEU A 504 33.969 -1.250 64.979 1.00 21.95 N ATOM 1765 CA LEU A 504 34.693 0.003 65.181 1.00 20.90 C ATOM 1766 C LEU A 504 35.507 -0.069 66.477 1.00 23.18 C ATOM 1767 O LEU A 504 36.657 0.371 66.527 1.00 19.11 O ATOM 1768 CB LEU A 504 33.739 1.201 65.222 1.00 25.22 C ATOM 1769 CG LEU A 504 34.399 2.552 65.534 1.00 23.71 C ATOM 1770 CD1 LEU A 504 35.301 2.983 64.387 1.00 20.85 C ATOM 1771 CD2 LEU A 504 33.366 3.632 65.849 1.00 25.84 C ATOM 1772 H LEU A 504 32.931 -1.240 64.914 1.00 0.00 H ATOM 1773 N ALA A 505 34.923 -0.640 67.524 1.00 23.63 N ATOM 1774 CA ALA A 505 35.640 -0.737 68.788 1.00 21.71 C ATOM 1775 C ALA A 505 36.831 -1.687 68.675 1.00 20.56 C ATOM 1776 O ALA A 505 37.926 -1.365 69.137 1.00 21.23 O ATOM 1777 CB ALA A 505 34.711 -1.179 69.901 1.00 23.72 C ATOM 1778 H ALA A 505 33.957 -1.017 67.442 1.00 0.00 H ATOM 1779 N GLN A 506 36.621 -2.848 68.053 1.00 18.26 N ATOM 1780 CA GLN A 506 37.684 -3.844 67.906 1.00 21.36 C ATOM 1781 C GLN A 506 38.892 -3.287 67.160 1.00 21.79 C ATOM 1782 O GLN A 506 40.031 -3.505 67.568 1.00 22.21 O ATOM 1783 CB GLN A 506 37.171 -5.091 67.177 1.00 22.01 C ATOM 1784 CG GLN A 506 36.139 -5.904 67.942 1.00 29.92 C ATOM 1785 CD GLN A 506 35.374 -6.858 67.038 1.00 38.27 C ATOM 1786 OE1 GLN A 506 35.794 -7.133 65.912 1.00 42.45 O ATOM 1787 NE2 GLN A 506 34.240 -7.354 67.523 1.00 38.02 N ATOM 1788 HE22 GLN A 506 33.925 -7.093 68.479 1.00 0.00 H ATOM 1789 HE21 GLN A 506 33.667 -8.003 66.946 1.00 0.00 H ATOM 1790 H GLN A 506 35.679 -3.051 67.663 1.00 0.00 H ATOM 1791 N LEU A 507 38.645 -2.582 66.064 1.00 23.77 N ATOM 1792 CA LEU A 507 39.731 -1.995 65.291 1.00 24.75 C ATOM 1793 C LEU A 507 40.517 -0.980 66.116 1.00 25.08 C ATOM 1794 O LEU A 507 41.747 -0.948 66.071 1.00 21.05 O ATOM 1795 CB LEU A 507 39.194 -1.333 64.023 1.00 25.85 C ATOM 1796 CG LEU A 507 38.660 -2.246 62.917 1.00 25.66 C ATOM 1797 CD1 LEU A 507 38.081 -1.406 61.795 1.00 31.86 C ATOM 1798 CD2 LEU A 507 39.754 -3.166 62.391 1.00 20.22 C ATOM 1799 H LEU A 507 37.662 -2.446 65.752 1.00 0.00 H ATOM 1800 N LEU A 508 39.815 -0.143 66.865 1.00 26.06 N ATOM 1801 CA LEU A 508 40.493 0.925 67.590 1.00 25.58 C ATOM 1802 C LEU A 508 41.199 0.384 68.831 1.00 22.87 C ATOM 1803 O LEU A 508 42.178 0.962 69.294 1.00 23.75 O ATOM 1804 CB LEU A 508 39.510 2.029 67.970 1.00 28.36 C ATOM 1805 CG LEU A 508 38.825 2.761 66.813 1.00 28.55 C ATOM 1806 CD1 LEU A 508 37.898 3.829 67.358 1.00 30.83 C ATOM 1807 CD2 LEU A 508 39.832 3.370 65.841 1.00 20.55 C ATOM 1808 H LEU A 508 38.783 -0.247 66.936 1.00 0.00 H ATOM 1809 N LEU A 509 40.718 -0.734 69.364 1.00 22.86 N ATOM 1810 CA LEU A 509 41.394 -1.353 70.498 1.00 25.57 C ATOM 1811 C LEU A 509 42.737 -1.933 70.069 1.00 25.63 C ATOM 1812 O LEU A 509 43.686 -1.963 70.853 1.00 24.76 O ATOM 1813 CB LEU A 509 40.509 -2.423 71.137 1.00 22.07 C ATOM 1814 CG LEU A 509 39.339 -1.778 71.893 1.00 21.80 C ATOM 1815 CD1 LEU A 509 38.430 -2.829 72.525 1.00 20.75 C ATOM 1816 CD2 LEU A 509 39.872 -0.815 72.943 1.00 21.45 C ATOM 1817 H LEU A 509 39.858 -1.168 68.972 1.00 0.00 H ATOM 1818 N ILE A 510 42.833 -2.360 68.815 1.00 23.41 N ATOM 1819 CA ILE A 510 44.095 -2.897 68.325 1.00 23.33 C ATOM 1820 C ILE A 510 45.155 -1.808 68.247 1.00 24.07 C ATOM 1821 O ILE A 510 46.341 -2.098 68.454 1.00 22.46 O ATOM 1822 CB ILE A 510 43.935 -3.583 66.957 1.00 27.27 C ATOM 1823 CG1 ILE A 510 43.182 -4.897 67.137 1.00 30.10 C ATOM 1824 CG2 ILE A 510 45.292 -3.873 66.337 1.00 28.81 C ATOM 1825 CD1 ILE A 510 42.541 -5.409 65.878 1.00 36.42 C ATOM 1826 H ILE A 510 42.008 -2.311 68.184 1.00 0.00 H ATOM 1827 N LEU A 511 44.831 -0.564 67.986 1.00 25.49 N ATOM 1828 CA LEU A 511 46.005 0.280 67.910 1.00 26.08 C ATOM 1829 C LEU A 511 46.472 0.714 69.301 1.00 24.44 C ATOM 1830 O LEU A 511 47.501 1.369 69.405 1.00 23.51 O ATOM 1831 CB LEU A 511 45.834 1.478 66.975 1.00 27.45 C ATOM 1832 CG LEU A 511 44.801 2.578 67.048 1.00 28.06 C ATOM 1833 CD1 LEU A 511 43.724 2.182 66.071 1.00 27.41 C ATOM 1834 CD2 LEU A 511 44.282 2.717 68.456 1.00 28.39 C ATOM 1835 H LEU A 511 43.856 -0.227 67.851 1.00 0.00 H ATOM 1836 N SER A 512 45.774 0.307 70.361 1.00 24.66 N ATOM 1837 CA SER A 512 46.410 0.360 71.680 1.00 25.44 C ATOM 1838 C SER A 512 47.565 -0.635 71.705 1.00 23.99 C ATOM 1839 O SER A 512 48.620 -0.382 72.308 1.00 24.54 O ATOM 1840 CB SER A 512 45.415 0.045 72.797 1.00 26.41 C ATOM 1841 OG SER A 512 46.100 -0.293 73.993 1.00 27.25 O ATOM 1842 HG SER A 512 46.667 -1.088 73.833 1.00 0.00 H ATOM 1843 H SER A 512 44.800 -0.040 70.254 1.00 0.00 H ATOM 1844 N HIS A 513 47.360 -1.759 71.040 1.00 21.67 N ATOM 1845 CA HIS A 513 48.362 -2.791 70.985 1.00 20.88 C ATOM 1846 C HIS A 513 49.499 -2.382 70.055 1.00 23.81 C ATOM 1847 O HIS A 513 50.662 -2.693 70.301 1.00 23.26 O ATOM 1848 CB HIS A 513 47.756 -4.106 70.534 1.00 21.08 C ATOM 1849 CG HIS A 513 48.726 -5.232 70.571 1.00 21.50 C ATOM 1850 ND1 HIS A 513 49.162 -5.791 71.753 1.00 26.86 N ATOM 1851 CD2 HIS A 513 49.399 -5.863 69.582 1.00 22.14 C ATOM 1852 CE1 HIS A 513 50.039 -6.741 71.487 1.00 29.01 C ATOM 1853 NE2 HIS A 513 50.201 -6.805 70.178 1.00 27.49 N ATOM 1854 H HIS A 513 46.456 -1.901 70.546 1.00 0.00 H ATOM 1855 N ILE A 514 49.151 -1.673 68.993 1.00 23.81 N ATOM 1856 CA ILE A 514 50.151 -1.136 68.085 1.00 23.05 C ATOM 1857 C ILE A 514 50.983 -0.026 68.754 1.00 22.60 C ATOM 1858 O ILE A 514 52.186 0.064 68.515 1.00 20.67 O ATOM 1859 CB ILE A 514 49.491 -0.638 66.796 1.00 19.55 C ATOM 1860 CG1 ILE A 514 49.194 -1.852 65.911 1.00 18.09 C ATOM 1861 CG2 ILE A 514 50.394 0.358 66.073 1.00 17.77 C ATOM 1862 CD1 ILE A 514 48.197 -1.597 64.818 1.00 15.79 C ATOM 1863 H ILE A 514 48.143 -1.497 68.805 1.00 0.00 H ATOM 1864 N ARG A 515 50.365 0.795 69.601 1.00 17.40 N ATOM 1865 CA ARG A 515 51.134 1.774 70.380 1.00 18.49 C ATOM 1866 C ARG A 515 52.155 1.083 71.288 1.00 17.99 C ATOM 1867 O ARG A 515 53.303 1.530 71.400 1.00 16.98 O ATOM 1868 CB ARG A 515 50.216 2.662 71.224 1.00 24.82 C ATOM 1869 CG ARG A 515 50.963 3.655 72.116 1.00 29.11 C ATOM 1870 CD ARG A 515 51.301 4.941 71.370 1.00 37.00 C ATOM 1871 NE ARG A 515 50.097 5.699 71.053 1.00 37.36 N ATOM 1872 CZ ARG A 515 49.903 6.979 71.362 1.00 40.22 C ATOM 1873 NH1 ARG A 515 50.852 7.664 71.986 1.00 33.75 N ATOM 1874 NH2 ARG A 515 48.769 7.575 71.031 1.00 49.48 N ATOM 1875 HE ARG A 515 49.334 5.204 70.549 1.00 0.00 H ATOM 1876 HH12 ARG A 515 50.699 8.664 72.227 1.00 0.00 H ATOM 1877 HH11 ARG A 515 51.749 7.201 72.235 1.00 0.00 H ATOM 1878 HH22 ARG A 515 48.617 8.575 71.272 1.00 0.00 H ATOM 1879 HH21 ARG A 515 48.029 7.043 70.529 1.00 0.00 H ATOM 1880 H ARG A 515 49.332 0.743 69.711 1.00 0.00 H ATOM 1881 N HIS A 516 51.729 -0.005 71.925 1.00 18.53 N ATOM 1882 CA HIS A 516 52.580 -0.769 72.832 1.00 19.59 C ATOM 1883 C HIS A 516 53.796 -1.346 72.099 1.00 23.41 C ATOM 1884 O HIS A 516 54.934 -1.208 72.568 1.00 19.16 O ATOM 1885 CB HIS A 516 51.770 -1.888 73.493 1.00 22.66 C ATOM 1886 CG HIS A 516 52.575 -2.765 74.404 1.00 29.37 C ATOM 1887 ND1 HIS A 516 52.872 -2.410 75.701 1.00 34.83 N ATOM 1888 CD2 HIS A 516 53.138 -3.981 74.207 1.00 33.07 C ATOM 1889 CE1 HIS A 516 53.585 -3.369 76.264 1.00 34.55 C ATOM 1890 NE2 HIS A 516 53.762 -4.333 75.378 1.00 32.77 N ATOM 1891 H HIS A 516 50.751 -0.323 71.770 1.00 0.00 H ATOM 1892 N MET A 517 53.554 -2.000 70.963 1.00 19.62 N ATOM 1893 CA MET A 517 54.628 -2.540 70.124 1.00 20.32 C ATOM 1894 C MET A 517 55.606 -1.456 69.696 1.00 20.11 C ATOM 1895 O MET A 517 56.816 -1.658 69.721 1.00 19.95 O ATOM 1896 CB MET A 517 54.061 -3.231 68.880 1.00 16.94 C ATOM 1897 CG MET A 517 53.254 -4.480 69.174 1.00 19.38 C ATOM 1898 SD MET A 517 52.936 -5.448 67.678 1.00 29.93 S ATOM 1899 CE MET A 517 52.008 -4.276 66.696 1.00 19.32 C ATOM 1900 H MET A 517 52.568 -2.132 70.661 1.00 0.00 H ATOM 1901 N SER A 518 55.067 -0.306 69.293 1.00 17.00 N ATOM 1902 CA SER A 518 55.889 0.844 68.947 1.00 21.34 C ATOM 1903 C SER A 518 56.826 1.195 70.099 1.00 21.93 C ATOM 1904 O SER A 518 58.029 1.382 69.890 1.00 17.15 O ATOM 1905 CB SER A 518 55.012 2.050 68.593 1.00 20.57 C ATOM 1906 OG SER A 518 55.804 3.154 68.183 1.00 22.69 O ATOM 1907 HG SER A 518 55.214 3.917 67.961 1.00 0.00 H ATOM 1908 H SER A 518 54.032 -0.228 69.224 1.00 0.00 H ATOM 1909 N ASN A 519 56.280 1.281 71.307 1.00 21.27 N ATOM 1910 CA ASN A 519 57.084 1.623 72.474 1.00 17.73 C ATOM 1911 C ASN A 519 58.178 0.594 72.708 1.00 16.45 C ATOM 1912 O ASN A 519 59.301 0.934 73.054 1.00 23.74 O ATOM 1913 CB ASN A 519 56.213 1.758 73.730 1.00 21.39 C ATOM 1914 CG ASN A 519 55.395 3.042 73.739 1.00 30.80 C ATOM 1915 OD1 ASN A 519 54.293 3.084 74.289 1.00 30.51 O ATOM 1916 ND2 ASN A 519 55.931 4.091 73.120 1.00 35.80 N ATOM 1917 HD22 ASN A 519 56.865 4.008 72.670 1.00 0.00 H ATOM 1918 HD21 ASN A 519 55.416 4.994 73.087 1.00 0.00 H ATOM 1919 H ASN A 519 55.262 1.101 71.422 1.00 0.00 H ATOM 1920 N LYS A 520 57.837 -0.676 72.510 1.00 14.91 N ATOM 1921 CA LYS A 520 58.808 -1.755 72.634 1.00 21.29 C ATOM 1922 C LYS A 520 59.863 -1.701 71.530 1.00 23.41 C ATOM 1923 O LYS A 520 61.033 -2.025 71.766 1.00 21.43 O ATOM 1924 CB LYS A 520 58.097 -3.114 72.608 1.00 21.79 C ATOM 1925 CG LYS A 520 57.331 -3.445 73.882 1.00 34.99 C ATOM 1926 CD LYS A 520 58.288 -3.635 75.052 1.00 45.39 C ATOM 1927 CE LYS A 520 57.652 -4.415 76.199 1.00 46.78 C ATOM 1928 NZ LYS A 520 56.837 -3.551 77.098 1.00 46.44 N ATOM 1929 HZ1 LYS A 520 57.443 -2.813 77.511 1.00 0.00 H ATOM 1930 HZ2 LYS A 520 56.072 -3.107 76.551 1.00 0.00 H ATOM 1931 HZ3 LYS A 520 56.429 -4.131 77.858 1.00 0.00 H ATOM 1932 H LYS A 520 56.854 -0.904 72.261 1.00 0.00 H ATOM 1933 N GLY A 521 59.452 -1.306 70.332 1.00 24.10 N ATOM 1934 CA GLY A 521 60.349 -1.311 69.189 1.00 15.14 C ATOM 1935 C GLY A 521 61.310 -0.149 69.278 1.00 25.38 C ATOM 1936 O GLY A 521 62.476 -0.242 68.891 1.00 26.75 O ATOM 1937 H GLY A 521 58.470 -0.987 70.209 1.00 0.00 H ATOM 1938 N MET A 522 60.814 0.956 69.802 1.00 15.22 N ATOM 1939 CA MET A 522 61.658 2.118 69.988 1.00 21.96 C ATOM 1940 C MET A 522 62.789 1.879 71.003 1.00 20.69 C ATOM 1941 O MET A 522 63.932 2.251 70.748 1.00 19.72 O ATOM 1942 CB MET A 522 60.824 3.307 70.412 1.00 25.53 C ATOM 1943 CG MET A 522 61.495 4.587 70.058 1.00 33.58 C ATOM 1944 SD MET A 522 61.031 5.043 68.392 1.00 45.48 S ATOM 1945 CE MET A 522 59.279 5.249 68.675 1.00 38.64 C ATOM 1946 H MET A 522 59.813 0.992 70.082 1.00 0.00 H ATOM 1947 N GLU A 523 62.482 1.265 72.145 1.00 25.24 N ATOM 1948 CA GLU A 523 63.521 0.906 73.119 1.00 24.58 C ATOM 1949 C GLU A 523 64.545 -0.085 72.560 1.00 22.66 C ATOM 1950 O GLU A 523 65.741 0.001 72.868 1.00 20.97 O ATOM 1951 CB GLU A 523 62.892 0.311 74.380 1.00 24.04 C ATOM 1952 H GLU A 523 61.489 1.036 72.350 1.00 0.00 H ATOM 1953 N HIS A 524 64.077 -1.038 71.762 1.00 23.90 N ATOM 1954 CA HIS A 524 64.980 -2.022 71.176 1.00 22.26 C ATOM 1955 C HIS A 524 65.973 -1.342 70.236 1.00 23.00 C ATOM 1956 O HIS A 524 67.171 -1.606 70.289 1.00 23.68 O ATOM 1957 CB HIS A 524 64.212 -3.109 70.426 1.00 26.33 C ATOM 1958 CG HIS A 524 65.103 -4.106 69.756 1.00 26.24 C ATOM 1959 ND1 HIS A 524 65.465 -4.008 68.430 1.00 26.90 N ATOM 1960 CD2 HIS A 524 65.735 -5.202 70.239 1.00 31.74 C ATOM 1961 CE1 HIS A 524 66.270 -5.009 68.122 1.00 32.22 C ATOM 1962 NE2 HIS A 524 66.451 -5.746 69.203 1.00 33.96 N ATOM 1963 H HIS A 524 63.059 -1.083 71.553 1.00 0.00 H ATOM 1964 N LEU A 525 65.463 -0.460 69.377 1.00 22.97 N ATOM 1965 CA LEU A 525 66.296 0.278 68.429 1.00 23.88 C ATOM 1966 C LEU A 525 67.291 1.164 69.168 1.00 27.63 C ATOM 1967 O LEU A 525 68.467 1.253 68.797 1.00 22.70 O ATOM 1968 CB LEU A 525 65.426 1.126 67.497 1.00 21.43 C ATOM 1969 CG LEU A 525 66.143 1.920 66.399 1.00 22.26 C ATOM 1970 CD1 LEU A 525 66.868 0.993 65.429 1.00 19.78 C ATOM 1971 CD2 LEU A 525 65.173 2.831 65.652 1.00 17.04 C ATOM 1972 H LEU A 525 64.437 -0.291 69.381 1.00 0.00 H ATOM 1973 N TYR A 526 66.816 1.817 70.214 1.00 27.76 N ATOM 1974 CA TYR A 526 67.700 2.599 71.048 1.00 21.70 C ATOM 1975 C TYR A 526 68.851 1.736 71.571 1.00 21.56 C ATOM 1976 O TYR A 526 70.007 2.152 71.535 1.00 21.70 O ATOM 1977 CB TYR A 526 66.936 3.224 72.203 1.00 23.74 C ATOM 1978 CG TYR A 526 67.824 4.022 73.095 1.00 26.83 C ATOM 1979 CD1 TYR A 526 68.318 5.252 72.685 1.00 31.78 C ATOM 1980 CD2 TYR A 526 68.200 3.538 74.334 1.00 34.26 C ATOM 1981 CE1 TYR A 526 69.143 5.984 73.491 1.00 33.97 C ATOM 1982 CE2 TYR A 526 69.029 4.263 75.149 1.00 39.16 C ATOM 1983 CZ TYR A 526 69.493 5.489 74.726 1.00 39.63 C ATOM 1984 OH TYR A 526 70.326 6.215 75.541 1.00 42.82 O ATOM 1985 HH TYR A 526 69.863 6.410 76.394 1.00 0.00 H ATOM 1986 H TYR A 526 65.802 1.768 70.438 1.00 0.00 H ATOM 1987 N SER A 527 68.544 0.527 72.028 1.00 20.75 N ATOM 1988 CA SER A 527 69.595 -0.330 72.564 1.00 22.16 C ATOM 1989 C SER A 527 70.562 -0.790 71.470 1.00 28.06 C ATOM 1990 O SER A 527 71.755 -0.926 71.721 1.00 31.41 O ATOM 1991 CB SER A 527 68.997 -1.544 73.288 1.00 27.98 C ATOM 1992 OG SER A 527 68.288 -2.385 72.398 1.00 36.43 O ATOM 1993 HG SER A 527 67.549 -1.874 71.981 1.00 0.00 H ATOM 1994 H SER A 527 67.559 0.193 72.004 1.00 0.00 H ATOM 1995 N MET A 528 70.058 -1.023 70.261 1.00 29.36 N ATOM 1996 CA MET A 528 70.940 -1.419 69.166 1.00 22.02 C ATOM 1997 C MET A 528 71.920 -0.289 68.902 1.00 27.71 C ATOM 1998 O MET A 528 73.119 -0.512 68.712 1.00 28.37 O ATOM 1999 CB MET A 528 70.147 -1.752 67.901 1.00 24.78 C ATOM 2000 CG MET A 528 69.312 -3.038 67.999 1.00 20.71 C ATOM 2001 SD MET A 528 70.295 -4.528 68.243 1.00 40.51 S ATOM 2002 CE MET A 528 70.146 -4.792 70.009 1.00 22.33 C ATOM 2003 H MET A 528 69.036 -0.923 70.096 1.00 0.00 H ATOM 2004 N LYS A 529 71.398 0.924 68.915 1.00 22.10 N ATOM 2005 CA LYS A 529 72.219 2.102 68.726 1.00 25.21 C ATOM 2006 C LYS A 529 73.231 2.265 69.861 1.00 30.64 C ATOM 2007 O LYS A 529 74.402 2.532 69.610 1.00 34.17 O ATOM 2008 CB LYS A 529 71.339 3.341 68.603 1.00 25.91 C ATOM 2009 CG LYS A 529 72.112 4.629 68.536 1.00 31.66 C ATOM 2010 CD LYS A 529 71.206 5.801 68.846 1.00 35.91 C ATOM 2011 CE LYS A 529 72.009 7.059 69.069 1.00 42.19 C ATOM 2012 NZ LYS A 529 72.051 7.405 70.517 1.00 47.37 N ATOM 2013 HZ1 LYS A 529 71.082 7.557 70.864 1.00 0.00 H ATOM 2014 HZ2 LYS A 529 72.492 6.625 71.046 1.00 0.00 H ATOM 2015 HZ3 LYS A 529 72.608 8.273 70.649 1.00 0.00 H ATOM 2016 H LYS A 529 70.375 1.036 69.064 1.00 0.00 H ATOM 2017 N CYS A 530 72.790 2.091 71.105 1.00 29.09 N ATOM 2018 CA CYS A 530 73.693 2.253 72.249 1.00 34.19 C ATOM 2019 C CYS A 530 74.808 1.214 72.273 1.00 32.03 C ATOM 2020 O CYS A 530 75.840 1.418 72.913 1.00 29.38 O ATOM 2021 CB CYS A 530 72.919 2.189 73.562 1.00 40.81 C ATOM 2022 SG CYS A 530 71.995 3.679 73.927 1.00 59.84 S ATOM 2023 H CYS A 530 71.795 1.837 71.267 1.00 0.00 H ATOM 2024 N LYS A 531 74.605 0.107 71.571 1.00 34.87 N ATOM 2025 CA LYS A 531 75.590 -0.964 71.540 1.00 36.07 C ATOM 2026 C LYS A 531 76.442 -0.939 70.270 1.00 31.82 C ATOM 2027 O LYS A 531 77.319 -1.783 70.091 1.00 31.77 O ATOM 2028 CB LYS A 531 74.892 -2.316 71.683 1.00 37.92 C ATOM 2029 CG LYS A 531 73.988 -2.394 72.902 1.00 41.85 C ATOM 2030 CD LYS A 531 74.277 -3.621 73.740 1.00 45.57 C ATOM 2031 CE LYS A 531 73.013 -4.420 73.965 1.00 48.66 C ATOM 2032 NZ LYS A 531 72.458 -4.900 72.671 1.00 52.42 N ATOM 2033 HZ1 LYS A 531 72.237 -4.084 72.066 1.00 0.00 H ATOM 2034 HZ2 LYS A 531 73.159 -5.505 72.197 1.00 0.00 H ATOM 2035 HZ3 LYS A 531 71.591 -5.446 72.848 1.00 0.00 H ATOM 2036 H LYS A 531 73.723 0.002 71.031 1.00 0.00 H ATOM 2037 N ASN A 532 76.187 0.040 69.404 1.00 26.95 N ATOM 2038 CA ASN A 532 76.897 0.168 68.127 1.00 30.50 C ATOM 2039 C ASN A 532 76.755 -1.067 67.245 1.00 32.81 C ATOM 2040 O ASN A 532 77.730 -1.544 66.657 1.00 28.01 O ATOM 2041 CB ASN A 532 78.382 0.460 68.359 1.00 34.97 C ATOM 2042 CG ASN A 532 78.642 1.914 68.700 1.00 36.16 C ATOM 2043 OD1 ASN A 532 77.966 2.495 69.548 1.00 39.33 O ATOM 2044 ND2 ASN A 532 79.617 2.514 68.027 1.00 32.16 N ATOM 2045 HD22 ASN A 532 80.163 1.983 67.319 1.00 0.00 H ATOM 2046 HD21 ASN A 532 79.835 3.515 68.208 1.00 0.00 H ATOM 2047 H ASN A 532 75.456 0.741 69.642 1.00 0.00 H ATOM 2048 N VAL A 533 75.530 -1.576 67.157 1.00 25.82 N ATOM 2049 CA VAL A 533 75.220 -2.728 66.322 1.00 25.52 C ATOM 2050 C VAL A 533 75.145 -2.325 64.851 1.00 27.84 C ATOM 2051 O VAL A 533 75.686 -3.017 63.987 1.00 26.92 O ATOM 2052 CB VAL A 533 73.893 -3.382 66.752 1.00 30.44 C ATOM 2053 CG1 VAL A 533 73.490 -4.483 65.778 1.00 27.06 C ATOM 2054 CG2 VAL A 533 74.013 -3.925 68.170 1.00 33.38 C ATOM 2055 H VAL A 533 74.764 -1.135 67.705 1.00 0.00 H ATOM 2056 N VAL A 534 74.475 -1.206 64.581 1.00 24.62 N ATOM 2057 CA VAL A 534 74.385 -0.654 63.230 1.00 25.91 C ATOM 2058 C VAL A 534 74.472 0.864 63.235 1.00 28.95 C ATOM 2059 O VAL A 534 74.200 1.505 64.250 1.00 24.63 O ATOM 2060 CB VAL A 534 73.069 -1.059 62.518 1.00 27.75 C ATOM 2061 CG1 VAL A 534 73.159 -2.481 61.988 1.00 33.31 C ATOM 2062 CG2 VAL A 534 71.864 -0.872 63.442 1.00 23.74 C ATOM 2063 H VAL A 534 73.999 -0.707 65.359 1.00 0.00 H ATOM 2064 N PRO A 535 74.863 1.443 62.092 1.00 35.15 N ATOM 2065 CA PRO A 535 74.828 2.892 61.907 1.00 36.19 C ATOM 2066 C PRO A 535 73.425 3.310 61.515 1.00 34.79 C ATOM 2067 O PRO A 535 72.804 2.658 60.671 1.00 34.36 O ATOM 2068 CB PRO A 535 75.827 3.137 60.767 1.00 37.26 C ATOM 2069 CG PRO A 535 76.257 1.755 60.278 1.00 40.28 C ATOM 2070 CD PRO A 535 75.324 0.755 60.879 1.00 38.81 C ATOM 2071 N LEU A 536 72.919 4.363 62.140 1.00 31.73 N ATOM 2072 CA LEU A 536 71.585 4.844 61.840 1.00 27.16 C ATOM 2073 C LEU A 536 71.668 6.122 61.020 1.00 26.02 C ATOM 2074 O LEU A 536 72.515 6.973 61.283 1.00 25.48 O ATOM 2075 CB LEU A 536 70.800 5.077 63.129 1.00 26.97 C ATOM 2076 CG LEU A 536 70.542 3.824 63.970 1.00 25.56 C ATOM 2077 CD1 LEU A 536 69.809 4.175 65.249 1.00 23.06 C ATOM 2078 CD2 LEU A 536 69.765 2.782 63.167 1.00 26.40 C ATOM 2079 H LEU A 536 73.489 4.853 62.859 1.00 0.00 H ATOM 2080 N SER A 537 70.803 6.238 60.016 1.00 28.74 N ATOM 2081 CA SER A 537 70.693 7.459 59.224 1.00 28.07 C ATOM 2082 C SER A 537 70.427 8.656 60.124 1.00 28.87 C ATOM 2083 O SER A 537 69.989 8.503 61.265 1.00 27.25 O ATOM 2084 CB SER A 537 69.576 7.335 58.191 1.00 27.74 C ATOM 2085 OG SER A 537 68.311 7.296 58.829 1.00 28.05 O ATOM 2086 HG SER A 537 67.600 7.216 58.145 1.00 0.00 H ATOM 2087 H SER A 537 70.185 5.433 59.788 1.00 0.00 H ATOM 2088 N ASP A 538 70.681 9.854 59.617 1.00 29.81 N ATOM 2089 CA ASP A 538 70.465 11.038 60.430 1.00 31.14 C ATOM 2090 C ASP A 538 68.971 11.218 60.727 1.00 28.48 C ATOM 2091 O ASP A 538 68.604 11.629 61.827 1.00 28.24 O ATOM 2092 CB ASP A 538 71.065 12.267 59.749 1.00 41.67 C ATOM 2093 CG ASP A 538 72.591 12.252 59.765 1.00 56.57 C ATOM 2094 OD1 ASP A 538 73.178 12.065 60.854 1.00 61.29 O ATOM 2095 OD2 ASP A 538 73.204 12.412 58.689 1.00 63.55 O ATOM 2096 H ASP A 538 71.033 9.946 58.643 1.00 0.00 H ATOM 2097 N LEU A 539 68.112 10.875 59.770 1.00 25.42 N ATOM 2098 CA LEU A 539 66.663 10.953 59.983 1.00 29.42 C ATOM 2099 C LEU A 539 66.230 10.030 61.118 1.00 37.24 C ATOM 2100 O LEU A 539 65.484 10.424 62.019 1.00 41.13 O ATOM 2101 CB LEU A 539 65.903 10.589 58.706 1.00 27.74 C ATOM 2102 CG LEU A 539 64.373 10.553 58.833 1.00 27.57 C ATOM 2103 CD1 LEU A 539 63.837 11.836 59.439 1.00 24.36 C ATOM 2104 CD2 LEU A 539 63.725 10.296 57.487 1.00 34.76 C ATOM 2105 H LEU A 539 68.475 10.545 58.853 1.00 0.00 H ATOM 2106 N LEU A 540 66.712 8.799 61.062 1.00 32.52 N ATOM 2107 CA LEU A 540 66.396 7.793 62.061 1.00 29.39 C ATOM 2108 C LEU A 540 66.956 8.185 63.427 1.00 27.67 C ATOM 2109 O LEU A 540 66.291 8.006 64.446 1.00 26.90 O ATOM 2110 CB LEU A 540 66.940 6.440 61.614 1.00 27.52 C ATOM 2111 CG LEU A 540 66.103 5.177 61.800 1.00 33.44 C ATOM 2112 CD1 LEU A 540 64.624 5.414 61.519 1.00 36.18 C ATOM 2113 CD2 LEU A 540 66.654 4.112 60.871 1.00 30.86 C ATOM 2114 H LEU A 540 67.340 8.542 60.274 1.00 0.00 H ATOM 2115 N LEU A 541 68.177 8.725 63.441 1.00 25.88 N ATOM 2116 CA LEU A 541 68.774 9.241 64.674 1.00 28.26 C ATOM 2117 C LEU A 541 67.908 10.325 65.305 1.00 29.97 C ATOM 2118 O LEU A 541 67.736 10.369 66.524 1.00 28.87 O ATOM 2119 CB LEU A 541 70.174 9.804 64.412 1.00 30.87 C ATOM 2120 CG LEU A 541 71.353 8.842 64.283 1.00 36.71 C ATOM 2121 CD1 LEU A 541 72.632 9.621 64.007 1.00 36.71 C ATOM 2122 CD2 LEU A 541 71.497 8.005 65.545 1.00 39.03 C ATOM 2123 H LEU A 541 68.717 8.780 62.554 1.00 0.00 H ATOM 2124 N GLU A 542 67.370 11.215 64.477 1.00 29.55 N ATOM 2125 CA GLU A 542 66.561 12.302 65.013 1.00 29.39 C ATOM 2126 C GLU A 542 65.179 11.800 65.420 1.00 28.58 C ATOM 2127 O GLU A 542 64.609 12.292 66.387 1.00 28.95 O ATOM 2128 CB GLU A 542 66.465 13.458 64.012 1.00 31.35 C ATOM 2129 CG GLU A 542 67.758 14.277 63.963 1.00 40.92 C ATOM 2130 CD GLU A 542 67.592 15.668 63.368 1.00 52.37 C ATOM 2131 OE1 GLU A 542 66.619 16.366 63.724 1.00 56.82 O ATOM 2132 OE2 GLU A 542 68.448 16.067 62.549 1.00 57.00 O ATOM 2133 H GLU A 542 67.526 11.136 63.452 1.00 0.00 H ATOM 2134 N MET A 543 64.646 10.809 64.710 1.00 27.74 N ATOM 2135 CA MET A 543 63.379 10.208 65.122 1.00 30.77 C ATOM 2136 C MET A 543 63.510 9.601 66.514 1.00 33.58 C ATOM 2137 O MET A 543 62.677 9.839 67.393 1.00 30.58 O ATOM 2138 CB MET A 543 62.924 9.139 64.127 1.00 29.36 C ATOM 2139 CG MET A 543 62.490 9.683 62.777 1.00 30.80 C ATOM 2140 SD MET A 543 61.361 11.082 62.935 1.00 41.92 S ATOM 2141 CE MET A 543 60.182 10.725 61.637 1.00 39.76 C ATOM 2142 H MET A 543 65.132 10.461 63.859 1.00 0.00 H ATOM 2143 N LEU A 544 64.548 8.794 66.690 1.00 34.88 N ATOM 2144 CA LEU A 544 64.832 8.112 67.946 1.00 35.66 C ATOM 2145 C LEU A 544 64.941 9.109 69.098 1.00 38.58 C ATOM 2146 O LEU A 544 64.405 8.880 70.188 1.00 40.63 O ATOM 2147 CB LEU A 544 66.127 7.305 67.800 1.00 34.69 C ATOM 2148 CG LEU A 544 66.431 6.050 68.616 1.00 33.03 C ATOM 2149 CD1 LEU A 544 65.195 5.195 68.809 1.00 30.56 C ATOM 2150 CD2 LEU A 544 67.506 5.260 67.888 1.00 33.60 C ATOM 2151 H LEU A 544 65.193 8.640 65.889 1.00 0.00 H ATOM 2152 N ASP A 545 65.621 10.224 68.835 1.00 36.43 N ATOM 2153 CA ASP A 545 65.896 11.257 69.813 1.00 34.38 C ATOM 2154 C ASP A 545 64.647 11.939 70.311 1.00 34.56 C ATOM 2155 O ASP A 545 64.556 12.301 71.482 1.00 38.04 O ATOM 2156 CB ASP A 545 66.823 12.306 69.219 1.00 40.11 C ATOM 2157 CG ASP A 545 68.248 11.834 69.139 1.00 51.55 C ATOM 2158 OD1 ASP A 545 68.474 10.605 69.205 1.00 56.52 O ATOM 2159 OD2 ASP A 545 69.141 12.695 69.014 1.00 54.64 O ATOM 2160 H ASP A 545 65.977 10.362 67.867 1.00 0.00 H ATOM 2161 N ALA A 546 63.701 12.145 69.405 1.00 34.08 N ATOM 2162 CA ALA A 546 62.436 12.764 69.768 1.00 33.51 C ATOM 2163 C ALA A 546 61.803 11.999 70.926 1.00 34.83 C ATOM 2164 O ALA A 546 60.988 12.542 71.670 1.00 32.93 O ATOM 2165 CB ALA A 546 61.501 12.811 68.571 1.00 26.39 C ATOM 2166 H ALA A 546 63.866 11.859 68.419 1.00 0.00 H ATOM 2167 N HIS A 547 62.212 10.746 71.089 1.00 35.09 N ATOM 2168 CA HIS A 547 61.650 9.873 72.110 1.00 36.33 C ATOM 2169 C HIS A 547 62.480 9.805 73.383 1.00 32.78 C ATOM 2170 O HIS A 547 61.985 9.347 74.412 1.00 31.60 O ATOM 2171 CB HIS A 547 61.464 8.469 71.544 1.00 37.57 C ATOM 2172 CG HIS A 547 60.277 8.351 70.643 1.00 40.87 C ATOM 2173 ND1 HIS A 547 59.040 7.953 71.098 1.00 40.69 N ATOM 2174 CD2 HIS A 547 60.129 8.614 69.324 1.00 41.64 C ATOM 2175 CE1 HIS A 547 58.182 7.961 70.094 1.00 37.95 C ATOM 2176 NE2 HIS A 547 58.818 8.355 69.005 1.00 40.88 N ATOM 2177 H HIS A 547 62.959 10.376 70.467 1.00 0.00 H TER 2178 HIS A 547 HETATM 2179 O HOH 1 26.130 1.323 67.156 1.00 34.46 O HETATM 2180 O HOH 2 39.664 22.766 61.617 1.00 50.37 O HETATM 2181 O HOH 3 49.180 23.175 64.042 1.00 32.66 O HETATM 2182 O HOH 4 64.567 15.673 62.597 1.00 24.58 O HETATM 2183 O HOH 5 46.635 6.031 52.569 1.00 26.27 O HETATM 2184 O HOH 6 47.156 17.072 54.071 1.00 27.78 O HETATM 2185 O HOH 7 70.242 -15.422 54.193 1.00 33.95 O HETATM 2186 O HOH 8 42.970 1.962 71.504 1.00 37.28 O HETATM 2187 O HOH 9 78.195 1.159 71.955 1.00 45.44 O HETATM 2188 O HOH 10 73.332 -3.445 52.621 1.00 39.46 O HETATM 2189 O HOH 11 34.227 16.262 61.745 1.00 40.75 O HETATM 2190 O HOH 12 58.342 -3.393 52.021 1.00 24.66 O HETATM 2191 O HOH 13 52.761 6.168 46.184 1.00 44.51 O HETATM 2192 O HOH 14 66.303 0.655 75.422 1.00 45.89 O HETATM 2193 O HOH 15 67.235 -3.170 53.412 1.00 30.91 O HETATM 2194 O HOH 16 49.084 17.633 49.923 1.00 43.00 O HETATM 2195 O HOH 17 70.823 -16.751 58.866 1.00 29.56 O HETATM 2196 O HOH 18 32.762 -1.395 52.330 1.00 31.90 O HETATM 2197 O HOH 19 54.524 20.037 54.814 1.00 24.22 O HETATM 2198 O HOH 20 54.343 6.533 69.724 1.00 40.97 O HETATM 2199 O HOH 21 62.755 -0.547 46.838 1.00 20.31 O HETATM 2200 O HOH 22 40.361 -5.961 69.084 1.00 28.85 O HETATM 2201 O HOH 23 74.842 3.335 66.181 1.00 41.10 O HETATM 2202 O HOH 24 24.379 -2.666 56.273 1.00 42.69 O HETATM 2203 O HOH 25 25.529 3.501 59.961 1.00 38.75 O HETATM 2204 O HOH 26 72.051 -3.360 54.876 1.00 40.53 O HETATM 2205 O HOH 27 55.866 -0.432 56.740 1.00 22.51 O HETATM 2206 O HOH 28 51.050 11.213 65.868 1.00 23.62 O HETATM 2207 O HOH 29 29.120 7.499 58.875 1.00 40.80 O HETATM 2208 O HOH 30 55.775 5.449 66.616 1.00 18.98 O HETATM 2209 O HOH 31 64.336 14.904 67.352 1.00 53.74 O HETATM 2210 O HOH 32 78.130 -4.201 64.762 1.00 28.82 O HETATM 2211 O HOH 33 21.206 -2.410 61.320 1.00 42.46 O HETATM 2212 O HOH 34 51.403 1.212 54.625 1.00 25.85 O HETATM 2213 O HOH 35 57.072 -11.835 47.874 1.00 39.89 O HETATM 2214 O HOH 36 51.800 -12.922 59.508 1.00 23.35 O HETATM 2215 O HOH 37 45.406 11.573 47.808 1.00 29.56 O HETATM 2216 O HOH 38 51.246 23.305 68.897 1.00 46.86 O HETATM 2217 O HOH 39 59.993 21.384 64.185 1.00 34.09 O HETATM 2218 O HOH 40 56.111 4.757 53.782 1.00 23.10 O HETATM 2219 O HOH 41 35.641 10.127 66.534 1.00 27.26 O HETATM 2220 O HOH 42 65.571 -12.418 69.873 1.00 37.13 O HETATM 2221 O HOH 43 52.521 23.127 55.710 1.00 43.34 O HETATM 2222 O HOH 44 74.629 -12.780 65.038 1.00 35.13 O HETATM 2223 O HOH 45 57.152 -0.872 52.035 1.00 25.52 O HETATM 2224 O HOH 46 53.246 25.446 66.096 1.00 38.51 O HETATM 2225 O HOH 47 35.409 9.615 45.063 1.00 49.12 O HETATM 2226 O HOH 48 23.519 1.102 58.844 1.00 39.25 O HETATM 2227 O HOH 49 40.936 -5.589 50.938 1.00 45.89 O HETATM 2228 O HOH 50 53.064 14.759 49.125 1.00 30.53 O HETATM 2229 O HOH 51 51.785 -8.226 50.803 1.00 48.02 O HETATM 2230 O HOH 52 54.374 8.255 49.287 1.00 39.61 O HETATM 2231 O HOH 53 53.533 1.769 56.386 1.00 22.29 O HETATM 2232 O HOH 54 77.822 -8.931 59.295 1.00 49.67 O HETATM 2233 O HOH 55 55.462 -6.146 77.823 1.00 39.49 O HETATM 2234 O HOH 56 50.777 -14.246 61.422 1.00 43.49 O HETATM 2235 O HOH 57 58.529 17.621 68.540 1.00 44.52 O HETATM 2236 O HOH 58 51.890 9.761 48.575 1.00 33.11 O HETATM 2237 O HOH 59 75.887 -6.675 70.330 1.00 51.85 O HETATM 2238 O HOH 60 34.155 -7.552 63.325 1.00 33.82 O HETATM 2239 O HOH 61 31.243 -6.787 63.972 1.00 26.47 O HETATM 2240 O HOH 62 54.585 -16.090 67.205 1.00 39.37 O HETATM 2241 O HOH 63 49.637 18.631 67.725 1.00 52.84 O HETATM 2242 O HOH 64 68.559 10.692 56.711 1.00 46.18 O HETATM 2243 O HOH 65 64.088 -15.659 54.223 1.00 40.66 O HETATM 2244 O HOH 66 55.972 8.729 47.538 1.00 46.03 O HETATM 2245 O HOH 67 55.478 15.759 48.952 1.00 45.53 O HETATM 2246 O HOH 68 76.585 -9.366 64.365 1.00 60.52 O HETATM 2247 O HOH 69 72.061 9.895 56.746 1.00 37.22 O HETATM 2248 O HOH 70 54.517 0.275 52.142 1.00 40.19 O HETATM 2249 O HOH 71 52.393 -1.686 53.436 1.00 46.08 O HETATM 2250 O HOH 72 63.464 -13.843 52.373 1.00 38.91 O HETATM 2251 O HOH 73 26.138 -8.163 67.278 1.00 45.40 O HETATM 2252 O HOH 74 68.658 6.790 78.254 1.00 56.34 O HETATM 2253 O HOH 75 67.467 7.801 75.889 1.00 52.79 O HETATM 2254 O HOH 76 65.701 -9.017 45.062 1.00 38.76 O HETATM 2255 O HOH 77 66.960 -3.274 46.414 1.00 38.86 O HETATM 2256 O HOH 78 73.499 5.942 73.255 1.00 37.82 O HETATM 2257 O HOH 79 35.143 -10.163 62.497 1.00 37.29 O HETATM 2258 O HOH 80 63.375 4.757 73.462 1.00 42.43 O HETATM 2259 O HOH 81 41.809 -16.390 59.407 1.00 41.51 O HETATM 2260 O HOH 82 37.405 -6.370 70.810 1.00 43.85 O HETATM 2261 O HOH 83 51.265 16.772 48.637 1.00 43.49 O HETATM 2262 O HOH 84 49.954 -6.028 50.401 1.00 47.77 O HETATM 2263 O HOH 85 64.737 -1.943 45.112 1.00 48.80 O HETATM 2264 O HOH 86 67.874 5.283 49.090 1.00 60.58 O HETATM 2265 O HOH 87 32.439 -4.243 50.604 1.00 48.49 O HETATM 2266 O HOH 88 41.395 -17.286 61.547 1.00 56.90 O HETATM 2267 O HOH 89 44.515 -9.354 52.601 1.00 44.03 O HETATM 2268 O HOH 90 63.013 13.890 51.733 1.00 54.02 O HETATM 2269 C ACE A 91 68.190 24.060 63.819 1.00 0.18 C HETATM 2270 O ACE A 91 68.123 23.365 64.830 1.00 -0.40 O HETATM 2271 CH3 ACE A 91 69.412 24.973 63.637 1.00 0.03 C HETATM 2272 H1 ACE A 91 69.320 25.524 62.689 1.00 0.05 H HETATM 2273 H2 ACE A 91 70.327 24.362 63.619 1.00 0.05 H HETATM 2274 H3 ACE A 91 69.464 25.687 64.472 1.00 0.05 H HETATM 2275 N ACE A 91 67.222 24.086 62.879 1.00 -0.26 N HETATM 2276 CA ACE A 91 66.062 23.200 63.090 1.00 0.14 C HETATM 2277 C ACE A 91 66.287 21.781 62.470 1.00 0.21 C HETATM 2278 O ACE A 91 67.080 21.564 61.595 1.00 -0.39 O HETATM 2279 N ACE A 91 65.492 20.885 63.004 1.00 -0.26 N HETATM 2280 CA ACE A 91 65.455 19.504 62.668 1.00 0.13 C HETATM 2281 C ACE A 91 65.437 19.220 61.201 1.00 0.20 C HETATM 2282 O ACE A 91 64.753 19.844 60.427 1.00 -0.39 O HETATM 2283 N ACE A 91 66.114 18.136 60.907 1.00 -0.27 N HETATM 2284 CA ACE A 91 66.168 17.559 59.582 1.00 0.13 C HETATM 2285 CB ACE A 91 66.853 16.238 59.669 1.00 -0.02 C HETATM 2286 CC ACE A 91 66.976 15.526 58.359 1.00 -0.04 C HETATM 2287 CD2 ACE A 91 68.154 14.614 58.523 1.00 -0.06 C HETATM 2288 H28 ACE A 91 68.312 14.049 57.593 1.00 0.02 H HETATM 2289 H29 ACE A 91 67.963 13.914 59.349 1.00 0.02 H HETATM 2290 H30 ACE A 91 69.051 15.210 58.747 1.00 0.02 H HETATM 2291 CD ACE A 91 65.741 14.729 58.015 1.00 -0.03 C HETATM 2292 CE ACE A 91 65.895 13.939 56.926 1.00 -0.10 C HETATM 2293 CE ACE A 91 64.968 13.793 55.937 1.00 -0.10 C HETATM 2294 CD ACE A 91 63.739 14.393 55.907 1.00 -0.04 C HETATM 2295 CG ACE A 91 63.765 15.735 55.313 1.00 -0.04 C HETATM 2296 CB ACE A 91 62.396 16.188 55.008 1.00 -0.02 C HETATM 2297 CA ACE A 91 62.237 17.626 54.531 1.00 0.13 C HETATM 2298 C ACE A 91 60.851 17.794 54.287 1.00 0.23 C HETATM 2299 O ACE A 91 60.338 17.526 53.216 1.00 -0.34 O HETATM 2300 N ACE A 91 60.114 18.217 55.300 1.00 -0.26 N HETATM 2301 CA ACE A 91 58.688 18.422 55.161 1.00 0.13 C HETATM 2302 C ACE A 91 58.346 19.524 54.164 1.00 0.20 C HETATM 2303 O ACE A 91 57.287 19.543 53.636 1.00 -0.39 O HETATM 2304 N ACE A 91 59.280 20.353 53.841 1.00 -0.26 N HETATM 2305 CA ACE A 91 59.045 21.477 52.945 1.00 0.13 C HETATM 2306 C ACE A 91 59.270 21.256 51.453 1.00 0.20 C HETATM 2307 O ACE A 91 58.846 22.103 50.708 1.00 -0.39 O HETATM 2308 N ACE A 91 59.899 20.182 51.030 1.00 -0.26 N HETATM 2309 CA ACE A 91 60.099 20.002 49.590 1.00 0.14 C HETATM 2310 C ACE A 91 58.930 19.259 48.925 1.00 0.21 C HETATM 2311 O ACE A 91 58.085 18.663 49.540 1.00 -0.39 O HETATM 2312 N ACE A 91 58.960 19.270 47.617 1.00 -0.26 N HETATM 2313 CA ACE A 91 57.944 18.603 46.836 1.00 0.15 C HETATM 2314 C ACE A 91 58.671 17.869 45.743 1.00 0.20 C HETATM 2315 O ACE A 91 59.820 18.160 45.509 1.00 -0.39 O HETATM 2316 N ACE A 91 58.069 16.828 45.215 1.00 -0.30 N HETATM 2317 H107 ACE A 91 58.515 16.309 44.485 1.00 0.18 H HETATM 2318 H108 ACE A 91 57.165 16.554 45.543 1.00 0.18 H HETATM 2319 CB ACE A 91 56.996 19.672 46.359 1.00 0.08 C HETATM 2320 OG ACE A 91 56.847 20.607 47.436 1.00 -0.39 O HETATM 2321 H106 ACE A 91 56.495 20.159 48.196 1.00 0.21 H HETATM 2322 H104 ACE A 91 56.022 19.228 46.106 1.00 0.06 H HETATM 2323 H105 ACE A 91 57.410 20.177 45.474 1.00 0.06 H HETATM 2324 H103 ACE A 91 57.389 17.879 47.451 1.00 0.08 H HETATM 2325 H102 ACE A 91 59.702 19.750 47.148 1.00 0.19 H HETATM 2326 CB ACE A 91 61.478 19.432 49.294 1.00 0.04 C HETATM 2327 CG ACE A 91 61.445 17.952 49.142 1.00 0.04 C HETATM 2328 OD1 ACE A 91 61.823 17.444 48.067 1.00 -0.57 O HETATM 2329 OD2 ACE A 91 60.821 17.408 50.035 1.00 -0.57 O HETATM 2330 H100 ACE A 91 62.155 19.689 50.122 1.00 0.05 H HETATM 2331 H101 ACE A 91 61.854 19.877 48.361 1.00 0.05 H HETATM 2332 H99 ACE A 91 60.093 21.010 49.151 1.00 0.08 H HETATM 2333 H98 ACE A 91 60.235 19.500 51.680 1.00 0.19 H HETATM 2334 CB ACE A 91 59.907 22.661 53.362 1.00 0.00 C HETATM 2335 CG ACE A 91 59.361 23.268 54.622 1.00 0.04 C HETATM 2336 CD ACE A 91 60.186 24.426 55.045 1.00 0.17 C HETATM 2337 OE1 ACE A 91 60.939 24.375 55.995 1.00 -0.40 O HETATM 2338 NE2 ACE A 91 60.012 25.478 54.316 1.00 -0.30 N HETATM 2339 H96 ACE A 91 60.521 26.315 54.517 1.00 0.18 H HETATM 2340 H97 ACE A 91 59.368 25.455 53.551 1.00 0.18 H HETATM 2341 H94 ACE A 91 59.366 22.511 55.420 1.00 0.05 H HETATM 2342 H95 ACE A 91 58.330 23.605 54.443 1.00 0.05 H HETATM 2343 H92 ACE A 91 59.903 23.416 52.562 1.00 0.03 H HETATM 2344 H93 ACE A 91 60.937 22.319 53.538 1.00 0.03 H HETATM 2345 H91 ACE A 91 57.988 21.756 53.069 1.00 0.08 H HETATM 2346 H90 ACE A 91 60.196 20.220 54.218 1.00 0.19 H HETATM 2347 CB ACE A 91 58.032 18.742 56.474 1.00 -0.01 C HETATM 2348 CG ACE A 91 57.681 17.497 57.287 1.00 -0.04 C HETATM 2349 CD1 ACE A 91 57.394 17.907 58.691 1.00 -0.06 C HETATM 2350 H84 ACE A 91 57.140 17.019 59.288 1.00 0.02 H HETATM 2351 H85 ACE A 91 56.548 18.610 58.702 1.00 0.02 H HETATM 2352 H86 ACE A 91 58.282 18.394 59.120 1.00 0.02 H HETATM 2353 CD2 ACE A 91 56.493 16.810 56.726 1.00 -0.06 C HETATM 2354 H87 ACE A 91 56.701 16.506 55.690 1.00 0.02 H HETATM 2355 H88 ACE A 91 55.632 17.495 56.742 1.00 0.02 H HETATM 2356 H89 ACE A 91 56.265 15.920 57.331 1.00 0.02 H HETATM 2357 H83 ACE A 91 58.536 16.805 57.274 1.00 0.03 H HETATM 2358 H81 ACE A 91 57.107 19.303 56.276 1.00 0.03 H HETATM 2359 H82 ACE A 91 58.719 19.365 57.066 1.00 0.03 H HETATM 2360 H80 ACE A 91 58.258 17.481 54.786 1.00 0.08 H HETATM 2361 H79 ACE A 91 60.551 18.399 56.181 1.00 0.19 H HETATM 2362 N ACE A 91 62.779 18.615 55.495 1.00 -0.27 N HETATM 2363 C ACE A 91 62.726 19.968 55.323 1.00 0.20 C HETATM 2364 CA ACE A 91 63.255 20.864 56.256 1.00 0.13 C HETATM 2365 N ACE A 91 62.883 20.637 57.635 1.00 -0.26 N HETATM 2366 C ACE A 91 61.663 20.718 58.135 1.00 0.21 C HETATM 2367 CA ACE A 91 61.409 20.358 59.471 1.00 0.14 C HETATM 2368 N ACE A 91 62.016 19.056 59.781 1.00 -0.26 N HETATM 2369 C ACE A 91 61.821 17.951 59.053 1.00 0.20 C HETATM 2370 CA ACE A 91 62.471 16.751 59.353 1.00 0.13 C HETATM 2371 N ACE A 91 63.857 16.906 59.794 1.00 -0.26 N HETATM 2372 C ACE A 91 64.854 17.457 59.043 1.00 0.23 C HETATM 2373 O ACE A 91 64.553 17.877 57.958 1.00 -0.34 O HETATM 2374 H37 ACE A 91 64.091 16.585 60.712 1.00 0.19 H HETATM 2375 CB ACE A 91 61.770 15.925 60.413 1.00 -0.01 C HETATM 2376 CG ACE A 91 60.438 15.419 59.992 1.00 -0.04 C HETATM 2377 CD1 ACE A 91 60.524 14.592 58.745 1.00 -0.06 C HETATM 2378 H42 ACE A 91 59.519 14.239 58.469 1.00 0.02 H HETATM 2379 H43 ACE A 91 61.181 13.728 58.923 1.00 0.02 H HETATM 2380 H44 ACE A 91 60.935 15.203 57.928 1.00 0.02 H HETATM 2381 CD2 ACE A 91 59.821 14.564 61.082 1.00 -0.06 C HETATM 2382 H45 ACE A 91 59.747 15.150 62.010 1.00 0.02 H HETATM 2383 H46 ACE A 91 60.452 13.680 61.256 1.00 0.02 H HETATM 2384 H47 ACE A 91 58.816 14.242 60.771 1.00 0.02 H HETATM 2385 H41 ACE A 91 59.785 16.283 59.800 1.00 0.03 H HETATM 2386 H39 ACE A 91 61.637 16.550 61.308 1.00 0.03 H HETATM 2387 H40 ACE A 91 62.407 15.063 60.659 1.00 0.03 H HETATM 2388 H38 ACE A 91 62.481 16.165 58.422 1.00 0.08 H HETATM 2389 O ACE A 91 61.112 18.023 58.084 1.00 -0.39 O HETATM 2390 H48 ACE A 91 62.610 18.992 60.583 1.00 0.19 H HETATM 2391 CB ACE A 91 61.914 21.365 60.487 1.00 0.04 C HETATM 2392 CG ACE A 91 61.294 22.732 60.355 1.00 0.06 C HETATM 2393 ND1 ACE A 91 60.266 23.170 60.997 1.00 -0.26 N HETATM 2394 CE1 ACE A 91 60.048 24.374 60.593 1.00 0.09 C HETATM 2395 NE2 ACE A 91 60.948 24.689 59.731 1.00 -0.34 N HETATM 2396 CD2 ACE A 91 61.730 23.666 59.574 1.00 -0.03 C HETATM 2397 H53 ACE A 91 62.591 23.605 58.910 1.00 0.03 H HETATM 2398 H54 ACE A 91 59.236 25.018 60.927 1.00 0.11 H HETATM 2399 H52 ACE A 91 59.720 22.654 61.702 1.00 0.24 H HETATM 2400 H50 ACE A 91 63.002 21.465 60.363 1.00 0.05 H HETATM 2401 H51 ACE A 91 61.693 20.981 61.494 1.00 0.05 H HETATM 2402 H49 ACE A 91 60.319 20.275 59.589 1.00 0.08 H HETATM 2403 O ACE A 91 60.777 20.969 57.377 1.00 -0.39 O HETATM 2404 H55 ACE A 91 63.618 20.396 58.269 1.00 0.19 H HETATM 2405 CB ACE A 91 64.791 20.871 56.207 1.00 -0.01 C HETATM 2406 CG ACE A 91 65.337 21.057 54.839 1.00 -0.02 C HETATM 2407 CD ACE A 91 65.243 22.521 54.519 1.00 0.06 C HETATM 2408 NE ACE A 91 65.854 22.784 53.263 1.00 -0.27 N HETATM 2409 CZ ACE A 91 65.236 22.721 52.145 1.00 0.29 C HETATM 2410 NH1 ACE A 91 65.918 22.944 51.058 1.00 -0.28 N HETATM 2411 H64 ACE A 91 65.453 22.902 50.140 1.00 0.26 H HETATM 2412 H65 ACE A 91 66.923 23.163 51.116 1.00 0.26 H HETATM 2413 NH2 ACE A 91 63.971 22.383 52.086 1.00 -0.28 N HETATM 2414 H66 ACE A 91 63.443 22.209 52.953 1.00 0.26 H HETATM 2415 H67 ACE A 91 63.505 22.291 51.172 1.00 0.26 H HETATM 2416 H63 ACE A 91 66.852 23.040 53.252 1.00 0.26 H HETATM 2417 H61 ACE A 91 65.756 23.099 55.302 1.00 0.07 H HETATM 2418 H62 ACE A 91 64.185 22.818 54.478 1.00 0.07 H HETATM 2419 H59 ACE A 91 64.748 20.474 54.115 1.00 0.03 H HETATM 2420 H60 ACE A 91 66.387 20.730 54.804 1.00 0.03 H HETATM 2421 H57 ACE A 91 65.157 19.911 56.601 1.00 0.03 H HETATM 2422 H58 ACE A 91 65.156 21.691 56.843 1.00 0.03 H HETATM 2423 H56 ACE A 91 62.892 21.864 55.975 1.00 0.08 H HETATM 2424 O ACE A 91 62.180 20.407 54.350 1.00 -0.39 O HETATM 2425 H68 ACE A 91 63.212 18.267 56.326 1.00 0.18 H HETATM 2426 CB1 ACE A 91 63.023 17.781 53.239 1.00 -0.03 C HETATM 2427 H76 ACE A 91 62.650 17.062 52.495 1.00 0.02 H HETATM 2428 H77 ACE A 91 64.089 17.589 53.433 1.00 0.02 H HETATM 2429 H78 ACE A 91 62.899 18.804 52.855 1.00 0.02 H HETATM 2430 H69 ACE A 91 61.996 15.531 54.222 1.00 0.03 H HETATM 2431 H70 ACE A 91 61.796 16.073 55.923 1.00 0.03 H HETATM 2432 H74 ACE A 91 64.229 16.436 56.022 1.00 0.03 H HETATM 2433 H75 ACE A 91 64.354 15.709 54.384 1.00 0.03 H HETATM 2434 H71 ACE A 91 63.364 14.474 56.938 1.00 0.04 H HETATM 2435 H72 ACE A 91 63.057 13.763 55.318 1.00 0.04 H HETATM 2436 H73 ACE A 91 65.228 13.145 55.101 1.00 0.04 H HETATM 2437 H33 ACE A 91 66.825 13.381 56.834 1.00 0.04 H HETATM 2438 H31 ACE A 91 64.916 15.431 57.822 1.00 0.04 H HETATM 2439 H32 ACE A 91 65.487 14.091 58.875 1.00 0.04 H HETATM 2440 H27 ACE A 91 67.165 16.253 57.555 1.00 0.03 H HETATM 2441 H25 ACE A 91 66.282 15.598 60.358 1.00 0.03 H HETATM 2442 H26 ACE A 91 67.864 16.399 60.071 1.00 0.03 H HETATM 2443 CB2 ACE A 91 67.065 18.448 58.771 1.00 -0.03 C HETATM 2444 H34 ACE A 91 67.143 18.054 57.747 1.00 0.02 H HETATM 2445 H35 ACE A 91 68.064 18.477 59.230 1.00 0.02 H HETATM 2446 H36 ACE A 91 66.645 19.464 58.742 1.00 0.02 H HETATM 2447 H24 ACE A 91 66.621 17.683 61.640 1.00 0.18 H HETATM 2448 CB ACE A 91 64.228 18.893 63.240 1.00 -0.01 C HETATM 2449 CG ACE A 91 64.425 18.773 64.723 1.00 -0.04 C HETATM 2450 CD ACE A 91 63.091 18.910 65.399 1.00 -0.01 C HETATM 2451 CE ACE A 91 62.912 17.867 66.441 1.00 -0.04 C HETATM 2452 NZ ACE A 91 62.018 18.356 67.446 1.00 0.22 N HETATM 2453 H21 ACE A 91 61.893 17.651 68.156 1.00 0.20 H HETATM 2454 H22 ACE A 91 61.127 18.572 67.027 1.00 0.20 H HETATM 2455 H23 ACE A 91 62.404 19.189 67.863 1.00 0.20 H HETATM 2456 H19 ACE A 91 63.885 17.631 66.897 1.00 0.08 H HETATM 2457 H20 ACE A 91 62.491 16.959 65.984 1.00 0.08 H HETATM 2458 H17 ACE A 91 62.295 18.808 64.647 1.00 0.03 H HETATM 2459 H18 ACE A 91 63.026 19.902 65.869 1.00 0.03 H HETATM 2460 H15 ACE A 91 65.100 19.568 65.072 1.00 0.03 H HETATM 2461 H16 ACE A 91 64.861 17.791 64.960 1.00 0.03 H HETATM 2462 H13 ACE A 91 64.067 17.897 62.802 1.00 0.03 H HETATM 2463 H14 ACE A 91 63.358 19.532 63.028 1.00 0.03 H HETATM 2464 H12 ACE A 91 66.343 19.024 63.105 1.00 0.08 H HETATM 2465 H11 ACE A 91 64.857 21.201 63.709 1.00 0.19 H HETATM 2466 CB ACE A 91 64.636 23.694 62.716 1.00 0.04 C HETATM 2467 CG ACE A 91 64.430 25.042 62.057 1.00 0.06 C HETATM 2468 ND1 ACE A 91 64.659 25.258 60.789 1.00 -0.26 N HETATM 2469 CE1 ACE A 91 64.348 26.533 60.567 1.00 0.09 C HETATM 2470 NE2 ACE A 91 63.894 27.066 61.690 1.00 -0.34 N HETATM 2471 CD2 ACE A 91 63.929 26.129 62.612 1.00 -0.03 C HETATM 2472 H9 ACE A 91 63.603 26.232 63.646 1.00 0.03 H HETATM 2473 H10 ACE A 91 64.451 27.053 59.616 1.00 0.11 H HETATM 2474 H8 ACE A 91 65.010 24.578 60.099 1.00 0.24 H HETATM 2475 H6 ACE A 91 64.054 23.709 63.650 1.00 0.05 H HETATM 2476 H7 ACE A 91 64.213 22.943 62.033 1.00 0.05 H HETATM 2477 H5 ACE A 91 66.030 23.057 64.180 1.00 0.08 H HETATM 2478 H4 ACE A 91 67.288 24.679 62.076 1.00 0.19 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1437 1438 1449 1450 1451 CONECT 1449 1437 CONECT 1450 1437 CONECT 1451 1437 CONECT 2269 2270 2271 2275 CONECT 2270 2269 CONECT 2271 2269 2272 2273 2274 CONECT 2272 2271 CONECT 2273 2271 CONECT 2274 2271 CONECT 2275 2269 2276 2478 CONECT 2276 2275 2277 2466 2477 CONECT 2277 2276 2278 2279 CONECT 2278 2277 CONECT 2279 2277 2280 2465 CONECT 2280 2279 2281 2448 2464 CONECT 2281 2280 2282 2283 CONECT 2282 2281 CONECT 2283 2281 2284 2447 CONECT 2284 2283 2285 2372 2443 CONECT 2285 2284 2286 2441 2442 CONECT 2286 2285 2287 2291 2440 CONECT 2287 2286 2288 2289 2290 CONECT 2288 2287 CONECT 2289 2287 CONECT 2290 2287 CONECT 2291 2286 2292 2438 2439 CONECT 2292 2291 2293 2437 CONECT 2293 2292 2294 2436 CONECT 2294 2293 2295 2434 2435 CONECT 2295 2294 2296 2432 2433 CONECT 2296 2295 2297 2430 2431 CONECT 2297 2296 2298 2362 2426 CONECT 2298 2297 2299 2300 CONECT 2299 2298 CONECT 2300 2298 2301 2361 CONECT 2301 2300 2302 2347 2360 CONECT 2302 2301 2303 2304 CONECT 2303 2302 CONECT 2304 2302 2305 2346 CONECT 2305 2304 2306 2334 2345 CONECT 2306 2305 2307 2308 CONECT 2307 2306 CONECT 2308 2306 2309 2333 CONECT 2309 2308 2310 2326 2332 CONECT 2310 2309 2311 2312 CONECT 2311 2310 CONECT 2312 2310 2313 2325 CONECT 2313 2312 2314 2319 2324 CONECT 2314 2313 2315 2316 CONECT 2315 2314 CONECT 2316 2314 2317 2318 CONECT 2317 2316 CONECT 2318 2316 CONECT 2319 2313 2320 2322 2323 CONECT 2320 2319 2321 CONECT 2321 2320 CONECT 2322 2319 CONECT 2323 2319 CONECT 2324 2313 CONECT 2325 2312 CONECT 2326 2309 2327 2330 2331 CONECT 2327 2326 2328 2329 CONECT 2328 2327 CONECT 2329 2327 CONECT 2330 2326 CONECT 2331 2326 CONECT 2332 2309 CONECT 2333 2308 CONECT 2334 2305 2335 2343 2344 CONECT 2335 2334 2336 2341 2342 CONECT 2336 2335 2337 2338 CONECT 2337 2336 CONECT 2338 2336 2339 2340 CONECT 2339 2338 CONECT 2340 2338 CONECT 2341 2335 CONECT 2342 2335 CONECT 2343 2334 CONECT 2344 2334 CONECT 2345 2305 CONECT 2346 2304 CONECT 2347 2301 2348 2358 2359 CONECT 2348 2347 2349 2353 2357 CONECT 2349 2348 2350 2351 2352 CONECT 2350 2349 CONECT 2351 2349 CONECT 2352 2349 CONECT 2353 2348 2354 2355 2356 CONECT 2354 2353 CONECT 2355 2353 CONECT 2356 2353 CONECT 2357 2348 CONECT 2358 2347 CONECT 2359 2347 CONECT 2360 2301 CONECT 2361 2300 CONECT 2362 2297 2363 2425 CONECT 2363 2362 2364 2424 CONECT 2364 2363 2365 2405 2423 CONECT 2365 2364 2366 2404 CONECT 2366 2365 2367 2403 CONECT 2367 2366 2368 2391 2402 CONECT 2368 2367 2369 2390 CONECT 2369 2368 2370 2389 CONECT 2370 2369 2371 2375 2388 CONECT 2371 2370 2372 2374 CONECT 2372 2284 2371 2373 CONECT 2373 2372 CONECT 2374 2371 CONECT 2375 2370 2376 2386 2387 CONECT 2376 2375 2377 2381 2385 CONECT 2377 2376 2378 2379 2380 CONECT 2378 2377 CONECT 2379 2377 CONECT 2380 2377 CONECT 2381 2376 2382 2383 2384 CONECT 2382 2381 CONECT 2383 2381 CONECT 2384 2381 CONECT 2385 2376 CONECT 2386 2375 CONECT 2387 2375 CONECT 2388 2370 CONECT 2389 2369 CONECT 2390 2368 CONECT 2391 2367 2392 2400 2401 CONECT 2392 2391 2393 2396 CONECT 2393 2392 2394 2399 CONECT 2394 2393 2395 2398 CONECT 2395 2394 2396 CONECT 2396 2392 2395 2397 CONECT 2397 2396 CONECT 2398 2394 CONECT 2399 2393 CONECT 2400 2391 CONECT 2401 2391 CONECT 2402 2367 CONECT 2403 2366 CONECT 2404 2365 CONECT 2405 2364 2406 2421 2422 CONECT 2406 2405 2407 2419 2420 CONECT 2407 2406 2408 2417 2418 CONECT 2408 2407 2409 2416 CONECT 2409 2408 2410 2413 CONECT 2410 2409 2411 2412 CONECT 2411 2410 CONECT 2412 2410 CONECT 2413 2409 2414 2415 CONECT 2414 2413 CONECT 2415 2413 CONECT 2416 2408 CONECT 2417 2407 CONECT 2418 2407 CONECT 2419 2406 CONECT 2420 2406 CONECT 2421 2405 CONECT 2422 2405 CONECT 2423 2364 CONECT 2424 2363 CONECT 2425 2362 CONECT 2426 2297 2427 2428 2429 CONECT 2427 2426 CONECT 2428 2426 CONECT 2429 2426 CONECT 2430 2296 CONECT 2431 2296 CONECT 2432 2295 CONECT 2433 2295 CONECT 2434 2294 CONECT 2435 2294 CONECT 2436 2293 CONECT 2437 2292 CONECT 2438 2291 CONECT 2439 2291 CONECT 2440 2286 CONECT 2441 2285 CONECT 2442 2285 CONECT 2443 2284 2444 2445 2446 CONECT 2444 2443 CONECT 2445 2443 CONECT 2446 2443 CONECT 2447 2283 CONECT 2448 2280 2449 2462 2463 CONECT 2449 2448 2450 2460 2461 CONECT 2450 2449 2451 2458 2459 CONECT 2451 2450 2452 2456 2457 CONECT 2452 2451 2453 2454 2455 CONECT 2453 2452 CONECT 2454 2452 CONECT 2455 2452 CONECT 2456 2451 CONECT 2457 2451 CONECT 2458 2450 CONECT 2459 2450 CONECT 2460 2449 CONECT 2461 2449 CONECT 2462 2448 CONECT 2463 2448 CONECT 2464 2280 CONECT 2465 2279 CONECT 2466 2276 2467 2475 2476 CONECT 2467 2466 2468 2471 CONECT 2468 2467 2469 2474 CONECT 2469 2468 2470 2473 CONECT 2470 2469 2471 CONECT 2471 2467 2470 2472 CONECT 2472 2471 CONECT 2473 2469 CONECT 2474 2468 CONECT 2475 2466 CONECT 2476 2466 CONECT 2477 2276 CONECT 2478 2275 MASTER 0 0 0 0 0 0 0 0 2476 2 218 18 END
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Entry Information
PDB ID
5dx3
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
2.09(Å)
Affinity (Kd/Ki/IC50)
Kd=39nM
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
5
H
1
0
9
N
2
1
O
1
6
Molecular Weight
1440.690
Exact Mass
1439.840
No. of atoms
211
No. of bonds
213
Polar Surface Area
614.82
LOGP Value
-2.06 (
Computed with XLOGP3
)
-0.08 (
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)C[C@@H](C)C/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/C65H107N21O16/c1-35(2)24-44(54(94)79-43(19-20-50(67)89)53(93)81-48(28-51(90)91)58(98)82-49(32-87)52(68)92)83-61(101)64(7)21-13-10-9-11-16-37(5)29-65(8,86-60(100)41(17-12-14-22-66)77-56(96)46(76-38(6)88)26-39-30-71-33-74-39)62(102)84-45(25-36(3)4)55(95)80-47(27-40-31-72-34-75-40)57(97)78-42(59(99)85-64)18-15-23-73-63(69)70/h9,11,30-31,33-37,41-49,87H,10,12-29,32,66H2,1-8H3,(H2,67,89)(H2,68,92)(H,71,74)(H,72,75)(H,76,88)(H,77,96)(H,78,97)(H,79,94)(H,80,95)(H,81,93)(H,82,98)(H,83,101)(H,84,102)(H,85,99)(H,86,100)(H,90,91)(H4,69,70,73)/p+2/b11-9-/t37-,41-,42-,43-,44-,45-,46-,47-,48-,49-,64-,65-/m0/s1
Links to External Databases
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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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