Browse entries in the PDBbind-CN Database
HEADER 4Z8M_COMPLEX COMPND 4Z8M_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 152 ASN GLY ILE TYR ILE TRP LYS ILE GLY ASN PHE GLY MET SEQRES 2 A 152 HIS LEU LYS CYS GLN GLU GLU GLU LYS PRO VAL VAL ILE SEQRES 3 A 152 HIS SER PRO GLY PHE TYR THR GLY LYS PRO GLY TYR LYS SEQRES 4 A 152 LEU CYS MET ARG LEU HIS LEU GLN LEU PRO THR ALA GLN SEQRES 5 A 152 ARG CYS ALA ASN TYR ILE SER LEU PHE VAL HIS THR MET SEQRES 6 A 152 GLN GLY GLU TYR ASP SER HIS LEU PRO TRP PRO PHE GLN SEQRES 7 A 152 GLY THR ILE ARG LEU THR ILE LEU ASP GLN SER GLU ALA SEQRES 8 A 152 PRO VAL ARG GLN ASN HIS GLU GLU ILE MET ASP ALA LYS SEQRES 9 A 152 PRO GLU LEU LEU ALA PHE GLN ARG PRO THR ILE PRO ARG SEQRES 10 A 152 ASN PRO LYS GLY PHE GLY TYR VAL THR PHE MET HIS LEU SEQRES 11 A 152 GLU ALA LEU ARG GLN ARG THR PHE ILE LYS ASP ASP THR SEQRES 12 A 152 LEU LEU VAL ARG CYS GLU VAL SER THR HET HIS A 153 131 ATOM 1 N ASN A 350 34.862 81.955 27.883 1.00 58.21 N ATOM 2 CA ASN A 350 33.583 82.345 27.295 1.00 54.56 C ATOM 3 C ASN A 350 32.645 81.169 27.092 1.00 60.03 C ATOM 4 O ASN A 350 33.048 80.120 26.580 1.00 67.26 O ATOM 5 CB ASN A 350 33.772 83.044 25.945 1.00 55.53 C ATOM 6 CG ASN A 350 34.270 84.474 26.075 1.00 65.88 C ATOM 7 OD1 ASN A 350 34.539 84.970 27.177 1.00 65.10 O ATOM 8 ND2 ASN A 350 34.335 85.169 24.939 1.00 66.20 N ATOM 9 HD22 ASN A 350 34.100 84.711 24.035 1.00 0.00 H ATOM 10 HD21 ASN A 350 34.621 86.169 24.957 1.00 0.00 H ATOM 11 HN3 ASN A 350 35.337 81.274 27.257 1.00 0.00 H ATOM 12 HN2 ASN A 350 34.696 81.517 28.811 1.00 0.00 H ATOM 13 HN1 ASN A 350 35.461 82.798 27.998 1.00 0.00 H ATOM 14 N GLY A 351 31.384 81.350 27.471 1.00 59.37 N ATOM 15 CA GLY A 351 30.406 80.307 27.269 1.00 53.96 C ATOM 16 C GLY A 351 29.782 80.513 25.918 1.00 52.88 C ATOM 17 O GLY A 351 29.515 81.643 25.518 1.00 53.77 O ATOM 18 H GLY A 351 31.100 82.247 27.915 1.00 0.00 H ATOM 19 N ILE A 352 29.518 79.411 25.234 1.00 49.45 N ATOM 20 CA ILE A 352 28.961 79.445 23.897 1.00 47.24 C ATOM 21 C ILE A 352 27.813 78.470 23.843 1.00 46.93 C ATOM 22 O ILE A 352 27.954 77.333 24.286 1.00 50.04 O ATOM 23 CB ILE A 352 29.994 79.049 22.837 1.00 51.19 C ATOM 24 CG1 ILE A 352 31.213 79.961 22.913 1.00 54.81 C ATOM 25 CG2 ILE A 352 29.376 79.056 21.448 1.00 49.22 C ATOM 26 CD1 ILE A 352 32.357 79.488 22.054 1.00 60.08 C ATOM 27 H ILE A 352 29.717 78.489 25.671 1.00 0.00 H ATOM 28 N TYR A 353 26.672 78.901 23.320 1.00 41.97 N ATOM 29 CA TYR A 353 25.566 77.984 23.155 1.00 36.46 C ATOM 30 C TYR A 353 24.978 78.117 21.774 1.00 37.21 C ATOM 31 O TYR A 353 24.651 79.213 21.326 1.00 36.26 O ATOM 32 CB TYR A 353 24.494 78.219 24.215 1.00 37.61 C ATOM 33 CG TYR A 353 23.255 77.381 23.991 1.00 42.71 C ATOM 34 CD1 TYR A 353 23.213 76.050 24.387 1.00 41.01 C ATOM 35 CD2 TYR A 353 22.120 77.921 23.378 1.00 41.30 C ATOM 36 CE1 TYR A 353 22.093 75.276 24.170 1.00 37.78 C ATOM 37 CE2 TYR A 353 20.991 77.151 23.167 1.00 38.78 C ATOM 38 CZ TYR A 353 20.987 75.828 23.565 1.00 39.83 C ATOM 39 OH TYR A 353 19.872 75.053 23.359 1.00 43.63 O ATOM 40 HH TYR A 353 20.039 74.139 23.701 1.00 0.00 H ATOM 41 H TYR A 353 26.574 79.895 23.030 1.00 0.00 H ATOM 42 N ILE A 354 24.824 76.981 21.104 1.00 41.31 N ATOM 43 CA ILE A 354 24.268 76.979 19.763 1.00 38.73 C ATOM 44 C ILE A 354 22.906 76.341 19.794 1.00 42.33 C ATOM 45 O ILE A 354 22.762 75.149 20.093 1.00 50.13 O ATOM 46 CB ILE A 354 25.168 76.257 18.768 1.00 34.55 C ATOM 47 CG1 ILE A 354 26.451 77.054 18.605 1.00 43.07 C ATOM 48 CG2 ILE A 354 24.495 76.183 17.458 1.00 39.18 C ATOM 49 CD1 ILE A 354 27.245 76.704 17.413 1.00 46.50 C ATOM 50 H ILE A 354 25.105 76.082 21.545 1.00 0.00 H ATOM 51 N TRP A 355 21.915 77.173 19.492 1.00 40.82 N ATOM 52 CA TRP A 355 20.496 76.856 19.538 1.00 36.38 C ATOM 53 C TRP A 355 20.097 76.292 18.181 1.00 41.25 C ATOM 54 O TRP A 355 20.033 77.021 17.199 1.00 42.49 O ATOM 55 CB TRP A 355 19.707 78.134 19.898 1.00 35.08 C ATOM 56 CG TRP A 355 18.193 78.051 19.965 1.00 36.43 C ATOM 57 CD1 TRP A 355 17.429 76.928 20.057 1.00 39.74 C ATOM 58 CD2 TRP A 355 17.272 79.156 19.955 1.00 35.78 C ATOM 59 NE1 TRP A 355 16.093 77.260 20.094 1.00 35.63 N ATOM 60 CE2 TRP A 355 15.973 78.623 20.033 1.00 35.29 C ATOM 61 CE3 TRP A 355 17.421 80.543 19.888 1.00 36.86 C ATOM 62 CZ2 TRP A 355 14.832 79.427 20.056 1.00 35.92 C ATOM 63 CZ3 TRP A 355 16.279 81.342 19.900 1.00 35.73 C ATOM 64 CH2 TRP A 355 15.009 80.782 19.986 1.00 35.30 C ATOM 65 HE1 TRP A 355 15.304 76.586 20.158 1.00 0.00 H ATOM 66 H TRP A 355 22.177 78.135 19.197 1.00 0.00 H ATOM 67 N LYS A 356 19.874 74.988 18.111 1.00 38.90 N ATOM 68 CA LYS A 356 19.413 74.379 16.881 1.00 38.71 C ATOM 69 C LYS A 356 17.891 74.517 16.825 1.00 41.62 C ATOM 70 O LYS A 356 17.181 73.885 17.596 1.00 41.58 O ATOM 71 CB LYS A 356 19.834 72.899 16.804 1.00 42.01 C ATOM 72 CG LYS A 356 21.323 72.655 16.541 1.00 49.21 C ATOM 73 CD LYS A 356 22.049 72.018 17.730 1.00 59.07 C ATOM 74 CE LYS A 356 23.584 72.216 17.637 1.00 58.79 C ATOM 75 NZ LYS A 356 24.327 71.816 18.875 1.00 63.09 N ATOM 76 HZ1 LYS A 356 23.992 72.385 19.678 1.00 0.00 H ATOM 77 HZ2 LYS A 356 24.158 70.808 19.069 1.00 0.00 H ATOM 78 HZ3 LYS A 356 25.345 71.978 18.735 1.00 0.00 H ATOM 79 H LYS A 356 20.032 74.394 18.950 1.00 0.00 H ATOM 80 N ILE A 357 17.390 75.364 15.932 1.00 43.78 N ATOM 81 CA ILE A 357 15.943 75.550 15.764 1.00 44.17 C ATOM 82 C ILE A 357 15.433 74.701 14.604 1.00 47.66 C ATOM 83 O ILE A 357 15.527 75.116 13.454 1.00 52.16 O ATOM 84 CB ILE A 357 15.567 77.038 15.504 1.00 42.86 C ATOM 85 CG1 ILE A 357 16.117 77.935 16.616 1.00 41.05 C ATOM 86 CG2 ILE A 357 14.049 77.218 15.379 1.00 38.68 C ATOM 87 CD1 ILE A 357 15.947 79.408 16.354 1.00 38.90 C ATOM 88 H ILE A 357 18.042 75.911 15.334 1.00 0.00 H ATOM 89 N GLY A 358 14.909 73.511 14.896 1.00 48.51 N ATOM 90 CA GLY A 358 14.448 72.613 13.850 1.00 44.83 C ATOM 91 C GLY A 358 13.109 73.006 13.266 1.00 49.99 C ATOM 92 O GLY A 358 12.462 73.926 13.766 1.00 52.34 O ATOM 93 H GLY A 358 14.828 73.219 15.891 1.00 0.00 H ATOM 94 N ASN A 359 12.703 72.309 12.204 1.00 53.98 N ATOM 95 CA ASN A 359 11.364 72.447 11.644 1.00 55.25 C ATOM 96 C ASN A 359 11.111 73.855 11.111 1.00 55.45 C ATOM 97 O ASN A 359 9.975 74.333 11.086 1.00 59.90 O ATOM 98 CB ASN A 359 10.325 72.100 12.723 1.00 56.91 C ATOM 99 CG ASN A 359 9.144 71.347 12.180 1.00 64.74 C ATOM 100 OD1 ASN A 359 8.337 71.879 11.417 1.00 70.42 O ATOM 101 ND2 ASN A 359 9.018 70.094 12.593 1.00 79.29 N ATOM 102 HD22 ASN A 359 9.724 69.686 13.238 1.00 0.00 H ATOM 103 HD21 ASN A 359 8.213 69.519 12.272 1.00 0.00 H ATOM 104 H ASN A 359 13.366 71.643 11.759 1.00 0.00 H ATOM 105 N PHE A 360 12.170 74.520 10.674 1.00 50.97 N ATOM 106 CA PHE A 360 12.074 75.940 10.372 1.00 51.50 C ATOM 107 C PHE A 360 11.232 76.287 9.137 1.00 51.78 C ATOM 108 O PHE A 360 10.688 77.391 9.061 1.00 51.95 O ATOM 109 CB PHE A 360 13.482 76.545 10.244 1.00 51.78 C ATOM 110 CG PHE A 360 13.503 78.037 10.431 1.00 53.07 C ATOM 111 CD1 PHE A 360 13.403 78.590 11.703 1.00 47.18 C ATOM 112 CD2 PHE A 360 13.594 78.888 9.338 1.00 53.56 C ATOM 113 CE1 PHE A 360 13.389 79.956 11.890 1.00 45.10 C ATOM 114 CE2 PHE A 360 13.585 80.268 9.516 1.00 55.54 C ATOM 115 CZ PHE A 360 13.480 80.802 10.801 1.00 52.01 C ATOM 116 H PHE A 360 13.075 74.024 10.546 1.00 0.00 H ATOM 117 N GLY A 361 11.120 75.374 8.177 1.00 49.08 N ATOM 118 CA GLY A 361 10.278 75.619 7.022 1.00 46.80 C ATOM 119 C GLY A 361 8.847 75.923 7.424 1.00 56.26 C ATOM 120 O GLY A 361 8.197 76.826 6.885 1.00 54.51 O ATOM 121 H GLY A 361 11.640 74.477 8.255 1.00 0.00 H ATOM 122 N MET A 362 8.366 75.173 8.409 1.00 57.50 N ATOM 123 CA MET A 362 7.029 75.362 8.930 1.00 53.39 C ATOM 124 C MET A 362 6.848 76.773 9.463 1.00 52.76 C ATOM 125 O MET A 362 5.858 77.420 9.170 1.00 57.00 O ATOM 126 CB MET A 362 6.753 74.345 10.026 1.00 57.13 C ATOM 127 CG MET A 362 5.333 74.373 10.546 1.00 63.90 C ATOM 128 SD MET A 362 5.251 74.964 12.242 1.00 70.90 S ATOM 129 CE MET A 362 6.165 73.671 13.094 1.00 63.13 C ATOM 130 H MET A 362 8.967 74.429 8.817 1.00 0.00 H ATOM 131 N HIS A 363 7.832 77.248 10.224 1.00 55.59 N ATOM 132 CA HIS A 363 7.795 78.551 10.891 1.00 50.74 C ATOM 133 C HIS A 363 7.709 79.722 9.905 1.00 53.55 C ATOM 134 O HIS A 363 6.987 80.699 10.142 1.00 49.19 O ATOM 135 CB HIS A 363 9.038 78.683 11.766 1.00 44.55 C ATOM 136 CG HIS A 363 8.989 77.850 13.009 1.00 52.11 C ATOM 137 ND1 HIS A 363 9.665 76.654 13.135 1.00 54.46 N ATOM 138 CD2 HIS A 363 8.396 78.066 14.206 1.00 55.96 C ATOM 139 CE1 HIS A 363 9.461 76.158 14.340 1.00 49.49 C ATOM 140 NE2 HIS A 363 8.694 76.993 15.012 1.00 50.85 N ATOM 141 H HIS A 363 8.678 76.658 10.352 1.00 0.00 H ATOM 142 N LEU A 364 8.441 79.610 8.796 1.00 53.83 N ATOM 143 CA LEU A 364 8.409 80.612 7.740 1.00 47.82 C ATOM 144 C LEU A 364 7.060 80.612 7.053 1.00 52.11 C ATOM 145 O LEU A 364 6.574 81.657 6.626 1.00 53.09 O ATOM 146 CB LEU A 364 9.510 80.343 6.722 1.00 47.18 C ATOM 147 CG LEU A 364 10.953 80.522 7.187 1.00 47.71 C ATOM 148 CD1 LEU A 364 11.888 80.089 6.093 1.00 41.34 C ATOM 149 CD2 LEU A 364 11.216 81.968 7.574 1.00 48.82 C ATOM 150 H LEU A 364 9.056 78.779 8.681 1.00 0.00 H ATOM 151 N LYS A 365 6.467 79.428 6.949 1.00 51.98 N ATOM 152 CA LYS A 365 5.158 79.261 6.334 1.00 54.15 C ATOM 153 C LYS A 365 4.072 79.957 7.141 1.00 56.82 C ATOM 154 O LYS A 365 3.176 80.573 6.565 1.00 64.00 O ATOM 155 CB LYS A 365 4.830 77.772 6.165 1.00 63.42 C ATOM 156 CG LYS A 365 4.423 77.351 4.750 1.00 61.48 C ATOM 157 CD LYS A 365 4.754 75.875 4.509 1.00 64.48 C ATOM 158 CE LYS A 365 4.349 75.011 5.704 1.00 71.90 C ATOM 159 NZ LYS A 365 4.497 73.545 5.464 1.00 84.10 N ATOM 160 HZ1 LYS A 365 3.898 73.264 4.662 1.00 0.00 H ATOM 161 HZ2 LYS A 365 5.491 73.329 5.248 1.00 0.00 H ATOM 162 HZ3 LYS A 365 4.205 73.024 6.315 1.00 0.00 H ATOM 163 H LYS A 365 6.956 78.589 7.321 1.00 0.00 H ATOM 164 N CYS A 366 4.121 79.851 8.467 1.00 53.67 N ATOM 165 CA CYS A 366 3.110 80.521 9.272 1.00 53.04 C ATOM 166 C CYS A 366 3.311 82.019 9.266 1.00 51.94 C ATOM 167 O CYS A 366 2.345 82.774 9.343 1.00 55.15 O ATOM 168 CB CYS A 366 3.132 80.041 10.717 1.00 55.68 C ATOM 169 SG CYS A 366 3.492 78.319 10.951 1.00 61.69 S ATOM 170 H CYS A 366 4.873 79.296 8.923 1.00 0.00 H ATOM 171 N GLN A 367 4.557 82.457 9.138 1.00 47.67 N ATOM 172 CA GLN A 367 4.818 83.882 9.057 1.00 47.73 C ATOM 173 C GLN A 367 4.173 84.425 7.780 1.00 53.13 C ATOM 174 O GLN A 367 3.562 85.490 7.806 1.00 52.95 O ATOM 175 CB GLN A 367 6.318 84.173 9.104 1.00 48.75 C ATOM 176 CG GLN A 367 6.668 85.656 9.076 1.00 48.59 C ATOM 177 CD GLN A 367 6.767 86.245 7.688 1.00 52.08 C ATOM 178 OE1 GLN A 367 6.883 85.529 6.698 1.00 58.55 O ATOM 179 NE2 GLN A 367 6.723 87.565 7.611 1.00 55.07 N ATOM 180 HE22 GLN A 367 6.624 88.133 8.476 1.00 0.00 H ATOM 181 HE21 GLN A 367 6.788 88.034 6.685 1.00 0.00 H ATOM 182 H GLN A 367 5.345 81.780 9.096 1.00 0.00 H ATOM 183 N GLU A 368 4.312 83.686 6.670 1.00 58.74 N ATOM 184 CA GLU A 368 3.691 84.048 5.383 1.00 54.50 C ATOM 185 C GLU A 368 2.181 84.066 5.494 1.00 55.30 C ATOM 186 O GLU A 368 1.518 84.924 4.927 1.00 55.13 O ATOM 187 CB GLU A 368 4.060 83.075 4.268 1.00 61.17 C ATOM 188 CG GLU A 368 5.516 83.065 3.794 1.00 73.17 C ATOM 189 CD GLU A 368 5.774 81.932 2.785 1.00 91.68 C ATOM 190 OE1 GLU A 368 4.804 81.521 2.102 1.00 87.76 O ATOM 191 OE2 GLU A 368 6.931 81.458 2.668 1.00 85.45 O ATOM 192 H GLU A 368 4.884 82.819 6.719 1.00 0.00 H ATOM 193 N GLU A 369 1.629 83.118 6.241 1.00 56.09 N ATOM 194 CA GLU A 369 0.188 83.067 6.406 1.00 58.21 C ATOM 195 C GLU A 369 -0.283 84.122 7.414 1.00 53.46 C ATOM 196 O GLU A 369 -1.452 84.153 7.784 1.00 55.71 O ATOM 197 CB GLU A 369 -0.245 81.663 6.840 1.00 61.91 C ATOM 198 CG GLU A 369 -0.086 80.590 5.744 1.00 72.22 C ATOM 199 CD GLU A 369 -0.571 79.183 6.164 1.00 81.56 C ATOM 200 OE1 GLU A 369 -1.732 79.045 6.634 1.00 76.32 O ATOM 201 OE2 GLU A 369 0.198 78.206 5.975 1.00 77.49 O ATOM 202 H GLU A 369 2.230 82.410 6.709 1.00 0.00 H ATOM 203 N GLU A 370 0.625 85.021 7.793 1.00 53.29 N ATOM 204 CA GLU A 370 0.367 86.074 8.775 1.00 52.66 C ATOM 205 C GLU A 370 -0.071 85.490 10.116 1.00 51.76 C ATOM 206 O GLU A 370 -1.000 85.979 10.753 1.00 54.80 O ATOM 207 CB GLU A 370 -0.667 87.072 8.254 1.00 54.39 C ATOM 208 CG GLU A 370 -0.335 87.648 6.884 1.00 57.55 C ATOM 209 H GLU A 370 1.572 84.971 7.366 1.00 0.00 H ATOM 210 N LYS A 371 0.600 84.421 10.523 1.00 50.66 N ATOM 211 CA LYS A 371 0.419 83.845 11.849 1.00 51.68 C ATOM 212 C LYS A 371 1.616 84.154 12.736 1.00 49.12 C ATOM 213 O LYS A 371 2.747 83.872 12.356 1.00 50.86 O ATOM 214 CB LYS A 371 0.236 82.341 11.744 1.00 53.78 C ATOM 215 CG LYS A 371 -0.982 81.963 10.969 1.00 56.65 C ATOM 216 CD LYS A 371 -0.998 80.498 10.636 1.00 59.23 C ATOM 217 CE LYS A 371 -2.221 80.139 9.815 1.00 66.92 C ATOM 218 NZ LYS A 371 -2.255 78.680 9.494 1.00 71.56 N ATOM 219 HZ1 LYS A 371 -1.406 78.426 8.950 1.00 0.00 H ATOM 220 HZ2 LYS A 371 -2.278 78.132 10.378 1.00 0.00 H ATOM 221 HZ3 LYS A 371 -3.104 78.470 8.932 1.00 0.00 H ATOM 222 H LYS A 371 1.280 83.978 9.872 1.00 0.00 H ATOM 223 N PRO A 372 1.382 84.752 13.915 1.00 50.74 N ATOM 224 CA PRO A 372 2.512 85.130 14.775 1.00 43.67 C ATOM 225 C PRO A 372 3.411 83.938 15.093 1.00 40.88 C ATOM 226 O PRO A 372 2.911 82.861 15.383 1.00 44.51 O ATOM 227 CB PRO A 372 1.823 85.668 16.042 1.00 40.88 C ATOM 228 CG PRO A 372 0.459 85.118 16.019 1.00 39.31 C ATOM 229 CD PRO A 372 0.091 85.053 14.555 1.00 50.38 C ATOM 230 N VAL A 373 4.719 84.107 14.981 1.00 40.74 N ATOM 231 CA VAL A 373 5.650 83.029 15.298 1.00 39.38 C ATOM 232 C VAL A 373 6.550 83.539 16.393 1.00 38.73 C ATOM 233 O VAL A 373 7.145 84.591 16.230 1.00 43.34 O ATOM 234 CB VAL A 373 6.503 82.611 14.091 1.00 39.89 C ATOM 235 CG1 VAL A 373 7.549 81.594 14.503 1.00 41.04 C ATOM 236 CG2 VAL A 373 5.636 82.075 12.992 1.00 43.80 C ATOM 237 H VAL A 373 5.090 85.025 14.661 1.00 0.00 H ATOM 238 N VAL A 374 6.625 82.833 17.518 1.00 38.59 N ATOM 239 CA VAL A 374 7.462 83.248 18.646 1.00 36.01 C ATOM 240 C VAL A 374 8.081 82.031 19.312 1.00 36.66 C ATOM 241 O VAL A 374 7.355 81.134 19.720 1.00 39.19 O ATOM 242 CB VAL A 374 6.645 84.007 19.684 1.00 40.84 C ATOM 243 CG1 VAL A 374 7.523 84.441 20.836 1.00 42.66 C ATOM 244 CG2 VAL A 374 5.931 85.213 19.050 1.00 41.46 C ATOM 245 H VAL A 374 6.071 81.957 17.599 1.00 0.00 H ATOM 246 N ILE A 375 9.405 81.989 19.438 1.00 35.24 N ATOM 247 CA ILE A 375 10.059 80.798 19.993 1.00 37.08 C ATOM 248 C ILE A 375 11.059 81.084 21.118 1.00 36.25 C ATOM 249 O ILE A 375 11.750 82.097 21.116 1.00 39.55 O ATOM 250 CB ILE A 375 10.811 80.007 18.937 1.00 38.46 C ATOM 251 CG1 ILE A 375 10.065 79.971 17.626 1.00 43.95 C ATOM 252 CG2 ILE A 375 11.014 78.594 19.404 1.00 39.51 C ATOM 253 CD1 ILE A 375 10.913 79.335 16.547 1.00 53.03 C ATOM 254 H ILE A 375 9.979 82.804 19.142 1.00 0.00 H ATOM 255 N HIS A 376 11.130 80.179 22.080 1.00 37.62 N ATOM 256 CA HIS A 376 12.036 80.324 23.208 1.00 38.54 C ATOM 257 C HIS A 376 13.042 79.203 23.218 1.00 38.78 C ATOM 258 O HIS A 376 12.720 78.061 22.911 1.00 41.09 O ATOM 259 CB HIS A 376 11.265 80.328 24.510 1.00 37.94 C ATOM 260 CG HIS A 376 10.081 81.248 24.493 1.00 45.04 C ATOM 261 ND1 HIS A 376 10.111 82.510 25.047 1.00 49.16 N ATOM 262 CD2 HIS A 376 8.848 81.091 23.959 1.00 41.25 C ATOM 263 CE1 HIS A 376 8.932 83.088 24.868 1.00 54.55 C ATOM 264 NE2 HIS A 376 8.150 82.252 24.209 1.00 50.41 N ATOM 265 H HIS A 376 10.520 79.339 22.028 1.00 0.00 H ATOM 266 N SER A 377 14.284 79.538 23.506 1.00 38.28 N ATOM 267 CA SER A 377 15.313 78.528 23.565 1.00 36.43 C ATOM 268 C SER A 377 15.238 77.794 24.899 1.00 35.58 C ATOM 269 O SER A 377 14.602 78.254 25.839 1.00 33.01 O ATOM 270 CB SER A 377 16.677 79.164 23.381 1.00 35.96 C ATOM 271 OG SER A 377 17.038 79.812 24.578 1.00 41.49 O ATOM 272 HG SER A 377 17.071 79.150 25.313 1.00 0.00 H ATOM 273 H SER A 377 14.523 80.533 23.691 1.00 0.00 H ATOM 274 N PRO A 378 15.874 76.625 24.982 1.00 41.74 N ATOM 275 CA PRO A 378 16.070 76.074 26.318 1.00 38.69 C ATOM 276 C PRO A 378 16.949 77.021 27.125 1.00 37.79 C ATOM 277 O PRO A 378 17.544 77.930 26.559 1.00 38.12 O ATOM 278 CB PRO A 378 16.777 74.748 26.051 1.00 41.81 C ATOM 279 CG PRO A 378 16.461 74.417 24.636 1.00 36.60 C ATOM 280 CD PRO A 378 16.376 75.720 23.931 1.00 40.53 C ATOM 281 N GLY A 379 17.016 76.830 28.431 1.00 38.57 N ATOM 282 CA GLY A 379 17.908 77.628 29.236 1.00 36.30 C ATOM 283 C GLY A 379 19.291 77.060 29.011 1.00 39.91 C ATOM 284 O GLY A 379 19.442 75.908 28.619 1.00 44.36 O ATOM 285 H GLY A 379 16.424 76.102 28.880 1.00 0.00 H ATOM 286 N PHE A 380 20.307 77.871 29.230 1.00 36.95 N ATOM 287 CA PHE A 380 21.659 77.398 29.097 1.00 39.23 C ATOM 288 C PHE A 380 22.526 78.239 30.016 1.00 40.29 C ATOM 289 O PHE A 380 22.151 79.359 30.356 1.00 38.19 O ATOM 290 CB PHE A 380 22.115 77.488 27.651 1.00 37.20 C ATOM 291 CG PHE A 380 22.046 78.872 27.082 1.00 40.41 C ATOM 292 CD1 PHE A 380 23.145 79.715 27.141 1.00 39.35 C ATOM 293 CD2 PHE A 380 20.875 79.337 26.474 1.00 40.91 C ATOM 294 CE1 PHE A 380 23.083 80.997 26.598 1.00 41.20 C ATOM 295 CE2 PHE A 380 20.803 80.624 25.926 1.00 36.35 C ATOM 296 CZ PHE A 380 21.908 81.448 25.988 1.00 38.61 C ATOM 297 H PHE A 380 20.130 78.859 29.501 1.00 0.00 H ATOM 298 N TYR A 381 23.671 77.705 30.427 1.00 38.11 N ATOM 299 CA TYR A 381 24.513 78.414 31.379 1.00 38.08 C ATOM 300 C TYR A 381 25.716 79.054 30.695 1.00 38.47 C ATOM 301 O TYR A 381 26.305 78.492 29.788 1.00 47.91 O ATOM 302 CB TYR A 381 24.976 77.472 32.498 1.00 38.94 C ATOM 303 CG TYR A 381 23.935 77.164 33.569 1.00 38.41 C ATOM 304 CD1 TYR A 381 22.995 76.161 33.394 1.00 36.17 C ATOM 305 CD2 TYR A 381 23.899 77.888 34.763 1.00 42.26 C ATOM 306 CE1 TYR A 381 22.039 75.886 34.379 1.00 39.12 C ATOM 307 CE2 TYR A 381 22.951 77.618 35.759 1.00 43.76 C ATOM 308 CZ TYR A 381 22.027 76.611 35.559 1.00 43.36 C ATOM 309 OH TYR A 381 21.090 76.334 36.535 1.00 40.44 O ATOM 310 HH TYR A 381 20.510 75.591 36.233 1.00 0.00 H ATOM 311 H TYR A 381 23.967 76.775 30.067 1.00 0.00 H ATOM 312 N THR A 382 26.086 80.245 31.121 1.00 35.09 N ATOM 313 CA THR A 382 27.274 80.863 30.579 1.00 38.34 C ATOM 314 C THR A 382 28.547 80.144 31.027 1.00 49.08 C ATOM 315 O THR A 382 29.639 80.416 30.507 1.00 49.71 O ATOM 316 CB THR A 382 27.363 82.322 31.003 1.00 42.49 C ATOM 317 OG1 THR A 382 27.552 82.375 32.427 1.00 41.64 O ATOM 318 CG2 THR A 382 26.082 83.037 30.664 1.00 42.71 C ATOM 319 HG1 THR A 382 27.612 83.320 32.716 1.00 0.00 H ATOM 320 H THR A 382 25.525 80.738 31.845 1.00 0.00 H ATOM 321 N GLY A 383 28.391 79.191 31.950 1.00 47.38 N ATOM 322 CA GLY A 383 29.506 78.525 32.607 1.00 43.13 C ATOM 323 C GLY A 383 28.991 77.741 33.797 1.00 44.06 C ATOM 324 O GLY A 383 27.786 77.695 34.008 1.00 48.81 O ATOM 325 H GLY A 383 27.424 78.911 32.212 1.00 0.00 H ATOM 326 N LYS A 384 29.867 77.055 34.529 1.00 46.01 N ATOM 327 CA LYS A 384 29.456 76.342 35.741 1.00 43.09 C ATOM 328 C LYS A 384 30.515 76.513 36.805 1.00 42.72 C ATOM 329 O LYS A 384 31.461 75.737 36.844 1.00 47.15 O ATOM 330 CB LYS A 384 29.225 74.849 35.461 1.00 42.56 C ATOM 331 CG LYS A 384 28.175 74.573 34.388 1.00 49.11 C ATOM 332 CD LYS A 384 27.555 73.165 34.449 1.00 53.77 C ATOM 333 CE LYS A 384 26.214 73.106 33.652 1.00 56.26 C ATOM 334 NZ LYS A 384 25.790 71.735 33.213 1.00 60.43 N ATOM 335 HZ1 LYS A 384 26.521 71.329 32.594 1.00 0.00 H ATOM 336 HZ2 LYS A 384 25.665 71.128 34.048 1.00 0.00 H ATOM 337 HZ3 LYS A 384 24.891 71.801 32.694 1.00 0.00 H ATOM 338 H LYS A 384 30.864 77.025 34.234 1.00 0.00 H ATOM 339 N PRO A 385 30.365 77.510 37.692 1.00 43.07 N ATOM 340 CA PRO A 385 29.251 78.439 37.889 1.00 45.94 C ATOM 341 C PRO A 385 29.143 79.471 36.773 1.00 43.74 C ATOM 342 O PRO A 385 30.142 79.752 36.137 1.00 43.99 O ATOM 343 CB PRO A 385 29.594 79.104 39.224 1.00 43.19 C ATOM 344 CG PRO A 385 31.068 79.099 39.247 1.00 45.33 C ATOM 345 CD PRO A 385 31.467 77.799 38.626 1.00 46.44 C ATOM 346 N GLY A 386 27.941 80.000 36.549 1.00 42.17 N ATOM 347 CA GLY A 386 27.693 80.991 35.524 1.00 42.18 C ATOM 348 C GLY A 386 26.233 81.409 35.519 1.00 43.64 C ATOM 349 O GLY A 386 25.451 80.927 36.336 1.00 49.15 O ATOM 350 H GLY A 386 27.144 79.686 37.138 1.00 0.00 H ATOM 351 N TYR A 387 25.874 82.347 34.645 1.00 39.18 N ATOM 352 CA TYR A 387 24.496 82.822 34.531 1.00 36.37 C ATOM 353 C TYR A 387 23.638 81.872 33.726 1.00 36.23 C ATOM 354 O TYR A 387 24.142 81.130 32.907 1.00 39.23 O ATOM 355 CB TYR A 387 24.473 84.219 33.918 1.00 38.91 C ATOM 356 CG TYR A 387 25.221 85.199 34.782 1.00 43.21 C ATOM 357 CD1 TYR A 387 26.586 85.356 34.646 1.00 42.01 C ATOM 358 CD2 TYR A 387 24.570 85.937 35.757 1.00 42.24 C ATOM 359 CE1 TYR A 387 27.278 86.217 35.446 1.00 43.25 C ATOM 360 CE2 TYR A 387 25.254 86.812 36.553 1.00 44.00 C ATOM 361 CZ TYR A 387 26.614 86.946 36.395 1.00 42.94 C ATOM 362 OH TYR A 387 27.334 87.808 37.186 1.00 40.03 O ATOM 363 HH TYR A 387 26.994 88.730 37.062 1.00 0.00 H ATOM 364 H TYR A 387 26.599 82.756 34.022 1.00 0.00 H ATOM 365 N LYS A 388 22.340 81.871 33.967 1.00 37.19 N ATOM 366 CA LYS A 388 21.471 81.079 33.127 1.00 36.40 C ATOM 367 C LYS A 388 20.696 82.042 32.239 1.00 38.55 C ATOM 368 O LYS A 388 20.092 82.994 32.715 1.00 39.74 O ATOM 369 CB LYS A 388 20.546 80.210 33.959 1.00 39.70 C ATOM 370 CG LYS A 388 19.861 79.134 33.163 1.00 40.45 C ATOM 371 CD LYS A 388 18.973 78.312 34.044 1.00 41.31 C ATOM 372 CE LYS A 388 18.421 77.123 33.296 1.00 41.34 C ATOM 373 NZ LYS A 388 17.330 76.425 34.044 1.00 42.45 N ATOM 374 HZ1 LYS A 388 17.699 76.085 34.955 1.00 0.00 H ATOM 375 HZ2 LYS A 388 16.547 77.088 34.211 1.00 0.00 H ATOM 376 HZ3 LYS A 388 16.989 75.618 33.484 1.00 0.00 H ATOM 377 H LYS A 388 21.949 82.432 34.750 1.00 0.00 H ATOM 378 N LEU A 389 20.782 81.843 30.934 1.00 38.46 N ATOM 379 CA LEU A 389 20.133 82.743 30.008 1.00 34.79 C ATOM 380 C LEU A 389 19.263 81.921 29.122 1.00 35.33 C ATOM 381 O LEU A 389 19.350 80.706 29.154 1.00 37.10 O ATOM 382 CB LEU A 389 21.151 83.521 29.193 1.00 34.50 C ATOM 383 CG LEU A 389 22.128 84.340 30.027 1.00 34.87 C ATOM 384 CD1 LEU A 389 23.275 84.787 29.172 1.00 36.55 C ATOM 385 CD2 LEU A 389 21.419 85.522 30.602 1.00 34.91 C ATOM 386 H LEU A 389 21.322 81.031 30.571 1.00 0.00 H ATOM 387 N CYS A 390 18.418 82.578 28.336 1.00 38.44 N ATOM 388 CA CYS A 390 17.663 81.911 27.279 1.00 37.47 C ATOM 389 C CYS A 390 17.339 82.939 26.199 1.00 37.32 C ATOM 390 O CYS A 390 17.533 84.136 26.403 1.00 39.95 O ATOM 391 CB CYS A 390 16.387 81.286 27.810 1.00 37.63 C ATOM 392 SG CYS A 390 15.139 82.508 28.223 1.00 50.43 S ATOM 393 H CYS A 390 18.290 83.600 28.478 1.00 0.00 H ATOM 394 N MET A 391 16.865 82.482 25.045 1.00 40.42 N ATOM 395 CA MET A 391 16.637 83.388 23.922 1.00 37.28 C ATOM 396 C MET A 391 15.233 83.352 23.390 1.00 35.17 C ATOM 397 O MET A 391 14.582 82.312 23.367 1.00 37.16 O ATOM 398 CB MET A 391 17.599 83.093 22.771 1.00 37.25 C ATOM 399 CG MET A 391 19.028 83.434 23.074 1.00 38.87 C ATOM 400 SD MET A 391 20.086 83.211 21.631 1.00 48.19 S ATOM 401 CE MET A 391 20.357 81.436 21.631 1.00 44.01 C ATOM 402 H MET A 391 16.654 81.469 24.940 1.00 0.00 H ATOM 403 N ARG A 392 14.791 84.522 22.963 1.00 32.27 N ATOM 404 CA ARG A 392 13.496 84.726 22.353 1.00 31.81 C ATOM 405 C ARG A 392 13.734 85.105 20.900 1.00 39.06 C ATOM 406 O ARG A 392 14.487 86.053 20.618 1.00 36.86 O ATOM 407 CB ARG A 392 12.750 85.846 23.066 1.00 33.29 C ATOM 408 CG ARG A 392 11.301 85.675 23.219 1.00 34.14 C ATOM 409 CD ARG A 392 10.743 86.827 24.060 1.00 41.79 C ATOM 410 NE ARG A 392 10.547 88.095 23.351 1.00 41.36 N ATOM 411 CZ ARG A 392 10.866 89.298 23.828 1.00 40.14 C ATOM 412 NH1 ARG A 392 11.416 89.434 25.021 1.00 39.88 N ATOM 413 NH2 ARG A 392 10.625 90.382 23.106 1.00 40.31 N ATOM 414 HE ARG A 392 10.126 88.053 22.401 1.00 0.00 H ATOM 415 HH12 ARG A 392 11.658 90.381 25.377 1.00 0.00 H ATOM 416 HH11 ARG A 392 11.607 88.594 25.604 1.00 0.00 H ATOM 417 HH22 ARG A 392 10.874 91.321 23.478 1.00 0.00 H ATOM 418 HH21 ARG A 392 10.187 90.294 22.167 1.00 0.00 H ATOM 419 H ARG A 392 15.414 85.348 23.073 1.00 0.00 H ATOM 420 N LEU A 393 13.118 84.370 19.979 1.00 37.75 N ATOM 421 CA LEU A 393 13.179 84.715 18.568 1.00 33.42 C ATOM 422 C LEU A 393 11.767 84.854 18.046 1.00 32.27 C ATOM 423 O LEU A 393 10.944 83.979 18.297 1.00 37.13 O ATOM 424 CB LEU A 393 13.956 83.654 17.786 1.00 37.25 C ATOM 425 CG LEU A 393 14.087 83.803 16.265 1.00 30.07 C ATOM 426 CD1 LEU A 393 15.392 83.240 15.810 1.00 28.88 C ATOM 427 CD2 LEU A 393 12.960 83.105 15.543 1.00 31.75 C ATOM 428 H LEU A 393 12.581 83.530 20.274 1.00 0.00 H ATOM 429 N HIS A 394 11.484 85.942 17.332 1.00 33.52 N ATOM 430 CA HIS A 394 10.179 86.153 16.684 1.00 37.06 C ATOM 431 C HIS A 394 10.327 86.058 15.178 1.00 37.88 C ATOM 432 O HIS A 394 11.411 86.271 14.656 1.00 39.57 O ATOM 433 CB HIS A 394 9.604 87.534 16.971 1.00 39.46 C ATOM 434 CG HIS A 394 9.264 87.787 18.402 1.00 41.26 C ATOM 435 ND1 HIS A 394 7.969 87.968 18.832 1.00 44.50 N ATOM 436 CD2 HIS A 394 10.056 87.926 19.493 1.00 39.83 C ATOM 437 CE1 HIS A 394 7.980 88.204 20.136 1.00 48.68 C ATOM 438 NE2 HIS A 394 9.228 88.182 20.561 1.00 40.19 N ATOM 439 H HIS A 394 12.216 86.674 17.228 1.00 0.00 H ATOM 440 N LEU A 395 9.240 85.755 14.481 1.00 37.38 N ATOM 441 CA LEU A 395 9.166 86.016 13.052 1.00 41.09 C ATOM 442 C LEU A 395 8.074 87.055 12.911 1.00 44.54 C ATOM 443 O LEU A 395 6.899 86.749 13.109 1.00 51.74 O ATOM 444 CB LEU A 395 8.842 84.764 12.243 1.00 42.23 C ATOM 445 CG LEU A 395 9.900 83.664 12.255 1.00 41.64 C ATOM 446 CD1 LEU A 395 9.525 82.583 11.253 1.00 45.35 C ATOM 447 CD2 LEU A 395 11.275 84.219 11.973 1.00 37.79 C ATOM 448 H LEU A 395 8.427 85.323 14.965 1.00 0.00 H ATOM 449 N GLN A 396 8.462 88.296 12.645 1.00 44.59 N ATOM 450 CA GLN A 396 7.513 89.400 12.600 1.00 46.78 C ATOM 451 C GLN A 396 6.586 89.303 11.407 1.00 51.24 C ATOM 452 O GLN A 396 7.044 89.018 10.298 1.00 52.24 O ATOM 453 CB GLN A 396 8.258 90.729 12.579 1.00 51.76 C ATOM 454 CG GLN A 396 9.082 91.012 13.831 1.00 49.61 C ATOM 455 CD GLN A 396 8.220 91.252 15.061 1.00 48.25 C ATOM 456 OE1 GLN A 396 7.015 91.561 14.965 1.00 48.71 O ATOM 457 NE2 GLN A 396 8.841 91.140 16.228 1.00 42.85 N ATOM 458 HE22 GLN A 396 9.847 90.880 16.259 1.00 0.00 H ATOM 459 HE21 GLN A 396 8.321 91.312 17.112 1.00 0.00 H ATOM 460 H GLN A 396 9.469 88.485 12.464 1.00 0.00 H ATOM 461 N LEU A 397 5.291 89.542 11.633 1.00 51.66 N ATOM 462 CA LEU A 397 4.291 89.464 10.564 1.00 51.46 C ATOM 463 C LEU A 397 4.626 90.422 9.428 1.00 56.99 C ATOM 464 O LEU A 397 5.438 91.325 9.603 1.00 53.00 O ATOM 465 CB LEU A 397 2.880 89.752 11.092 1.00 47.57 C ATOM 466 CG LEU A 397 2.290 88.718 12.049 1.00 50.00 C ATOM 467 CD1 LEU A 397 2.836 87.322 11.719 1.00 50.82 C ATOM 468 CD2 LEU A 397 2.513 89.087 13.518 1.00 65.19 C ATOM 469 H LEU A 397 4.984 89.791 12.595 1.00 0.00 H ATOM 470 N PRO A 398 4.040 90.195 8.235 1.00 60.90 N ATOM 471 CA PRO A 398 4.258 91.141 7.138 1.00 56.73 C ATOM 472 C PRO A 398 3.446 92.426 7.310 1.00 67.80 C ATOM 473 O PRO A 398 3.723 93.420 6.635 1.00 71.39 O ATOM 474 CB PRO A 398 3.779 90.372 5.918 1.00 55.23 C ATOM 475 CG PRO A 398 3.685 88.946 6.355 1.00 58.02 C ATOM 476 CD PRO A 398 3.297 89.011 7.779 1.00 55.95 C ATOM 477 N THR A 399 2.473 92.405 8.222 1.00 67.88 N ATOM 478 CA THR A 399 1.579 93.539 8.436 1.00 65.00 C ATOM 479 C THR A 399 1.997 94.387 9.628 1.00 69.28 C ATOM 480 O THR A 399 1.250 95.266 10.047 1.00 76.13 O ATOM 481 CB THR A 399 0.109 93.081 8.673 1.00 68.80 C ATOM 482 OG1 THR A 399 -0.044 92.593 10.017 1.00 69.25 O ATOM 483 CG2 THR A 399 -0.293 91.982 7.691 1.00 74.84 C ATOM 484 HG1 THR A 399 0.180 93.315 10.656 1.00 0.00 H ATOM 485 H THR A 399 2.347 91.550 8.801 1.00 0.00 H ATOM 486 N ALA A 400 3.178 94.138 10.185 1.00 65.76 N ATOM 487 CA ALA A 400 3.633 94.949 11.310 1.00 70.27 C ATOM 488 C ALA A 400 3.974 96.355 10.825 1.00 78.59 C ATOM 489 O ALA A 400 4.219 96.554 9.634 1.00 77.19 O ATOM 490 CB ALA A 400 4.832 94.307 11.979 1.00 64.30 C ATOM 491 H ALA A 400 3.775 93.369 9.821 1.00 0.00 H ATOM 492 N GLN A 401 4.049 97.316 11.746 1.00 86.51 N ATOM 493 CA GLN A 401 4.267 98.709 11.360 1.00 84.68 C ATOM 494 C GLN A 401 5.733 98.804 10.975 1.00 88.15 C ATOM 495 O GLN A 401 6.073 98.710 9.790 1.00 86.93 O ATOM 496 CB GLN A 401 3.915 99.681 12.490 1.00 81.54 C ATOM 497 H GLN A 401 3.951 97.071 12.752 1.00 0.00 H ATOM 498 N ARG A 402 6.610 98.958 11.963 1.00 91.92 N ATOM 499 CA ARG A 402 8.040 98.897 11.680 1.00 86.72 C ATOM 500 C ARG A 402 8.392 97.424 11.834 1.00 81.39 C ATOM 501 O ARG A 402 7.517 96.617 12.152 1.00 86.31 O ATOM 502 CB ARG A 402 8.860 99.782 12.620 1.00 81.20 C ATOM 503 H ARG A 402 6.277 99.121 12.935 1.00 0.00 H ATOM 504 N CYS A 403 9.643 97.073 11.578 1.00 69.77 N ATOM 505 CA CYS A 403 10.110 95.681 11.602 1.00 65.31 C ATOM 506 C CYS A 403 9.217 94.632 10.928 1.00 56.82 C ATOM 507 O CYS A 403 9.158 93.506 11.403 1.00 54.76 O ATOM 508 CB CYS A 403 10.330 95.199 13.049 1.00 66.27 C ATOM 509 SG CYS A 403 8.834 94.925 14.083 1.00 68.67 S ATOM 510 H CYS A 403 10.329 97.820 11.349 1.00 0.00 H ATOM 511 N ALA A 404 8.517 94.964 9.850 1.00 62.04 N ATOM 512 CA ALA A 404 7.768 93.925 9.141 1.00 56.71 C ATOM 513 C ALA A 404 8.750 92.994 8.428 1.00 51.25 C ATOM 514 O ALA A 404 9.734 93.452 7.839 1.00 53.50 O ATOM 515 CB ALA A 404 6.794 94.523 8.161 1.00 60.50 C ATOM 516 H ALA A 404 8.501 95.948 9.514 1.00 0.00 H ATOM 517 N ASN A 405 8.484 91.693 8.506 1.00 52.00 N ATOM 518 CA ASN A 405 9.319 90.665 7.874 1.00 53.20 C ATOM 519 C ASN A 405 10.737 90.563 8.428 1.00 49.31 C ATOM 520 O ASN A 405 11.643 90.070 7.759 1.00 46.57 O ATOM 521 CB ASN A 405 9.372 90.884 6.369 1.00 52.44 C ATOM 522 CG ASN A 405 8.051 90.638 5.719 1.00 53.10 C ATOM 523 OD1 ASN A 405 7.451 89.578 5.899 1.00 53.45 O ATOM 524 ND2 ASN A 405 7.546 91.637 5.011 1.00 62.19 N ATOM 525 HD22 ASN A 405 8.091 92.514 4.887 1.00 0.00 H ATOM 526 HD21 ASN A 405 6.604 91.545 4.579 1.00 0.00 H ATOM 527 H ASN A 405 7.645 91.390 9.040 1.00 0.00 H ATOM 528 N TYR A 406 10.924 91.028 9.655 1.00 48.58 N ATOM 529 CA TYR A 406 12.210 90.908 10.311 1.00 44.90 C ATOM 530 C TYR A 406 12.199 89.739 11.283 1.00 45.18 C ATOM 531 O TYR A 406 11.149 89.324 11.768 1.00 46.89 O ATOM 532 CB TYR A 406 12.574 92.201 11.052 1.00 48.91 C ATOM 533 CG TYR A 406 13.361 93.192 10.218 1.00 50.50 C ATOM 534 CD1 TYR A 406 12.741 94.286 9.625 1.00 51.50 C ATOM 535 CD2 TYR A 406 14.724 93.024 10.018 1.00 46.31 C ATOM 536 CE1 TYR A 406 13.464 95.182 8.857 1.00 53.27 C ATOM 537 CE2 TYR A 406 15.450 93.914 9.260 1.00 47.39 C ATOM 538 CZ TYR A 406 14.819 94.985 8.679 1.00 51.55 C ATOM 539 OH TYR A 406 15.550 95.862 7.919 1.00 61.12 O ATOM 540 HH TYR A 406 14.954 96.573 7.573 1.00 0.00 H ATOM 541 H TYR A 406 10.135 91.486 10.155 1.00 0.00 H ATOM 542 N ILE A 407 13.381 89.194 11.530 1.00 42.35 N ATOM 543 CA ILE A 407 13.605 88.307 12.645 1.00 38.85 C ATOM 544 C ILE A 407 14.005 89.129 13.876 1.00 42.99 C ATOM 545 O ILE A 407 14.901 89.981 13.790 1.00 42.17 O ATOM 546 CB ILE A 407 14.698 87.310 12.351 1.00 37.31 C ATOM 547 CG1 ILE A 407 14.269 86.353 11.250 1.00 38.77 C ATOM 548 CG2 ILE A 407 15.055 86.541 13.602 1.00 33.89 C ATOM 549 CD1 ILE A 407 15.330 85.266 10.985 1.00 42.83 C ATOM 550 H ILE A 407 14.176 89.414 10.897 1.00 0.00 H ATOM 551 N SER A 408 13.307 88.923 14.996 1.00 40.92 N ATOM 552 CA SER A 408 13.679 89.559 16.255 1.00 37.44 C ATOM 553 C SER A 408 14.407 88.566 17.147 1.00 35.10 C ATOM 554 O SER A 408 14.078 87.387 17.148 1.00 38.15 O ATOM 555 CB SER A 408 12.447 90.097 16.965 1.00 38.83 C ATOM 556 OG SER A 408 11.817 91.104 16.182 1.00 45.97 O ATOM 557 HG SER A 408 12.452 91.849 16.032 1.00 0.00 H ATOM 558 H SER A 408 12.479 88.294 14.970 1.00 0.00 H ATOM 559 N LEU A 409 15.376 89.026 17.926 1.00 32.41 N ATOM 560 CA LEU A 409 16.129 88.103 18.747 1.00 32.24 C ATOM 561 C LEU A 409 16.460 88.736 20.096 1.00 33.84 C ATOM 562 O LEU A 409 17.026 89.826 20.145 1.00 32.19 O ATOM 563 CB LEU A 409 17.405 87.687 18.040 1.00 34.47 C ATOM 564 CG LEU A 409 18.096 86.513 18.732 1.00 41.95 C ATOM 565 CD1 LEU A 409 17.173 85.289 18.698 1.00 36.77 C ATOM 566 CD2 LEU A 409 19.483 86.225 18.148 1.00 42.35 C ATOM 567 H LEU A 409 15.593 90.043 17.947 1.00 0.00 H ATOM 568 N PHE A 410 16.087 88.063 21.189 1.00 34.10 N ATOM 569 CA PHE A 410 16.247 88.631 22.524 1.00 31.64 C ATOM 570 C PHE A 410 16.818 87.678 23.529 1.00 33.68 C ATOM 571 O PHE A 410 16.452 86.504 23.540 1.00 38.36 O ATOM 572 CB PHE A 410 14.922 89.112 23.053 1.00 30.75 C ATOM 573 CG PHE A 410 14.290 90.169 22.216 1.00 35.28 C ATOM 574 CD1 PHE A 410 13.246 89.856 21.341 1.00 33.79 C ATOM 575 CD2 PHE A 410 14.713 91.485 22.313 1.00 33.60 C ATOM 576 CE1 PHE A 410 12.638 90.833 20.587 1.00 29.54 C ATOM 577 CE2 PHE A 410 14.100 92.465 21.550 1.00 35.65 C ATOM 578 CZ PHE A 410 13.056 92.131 20.690 1.00 31.95 C ATOM 579 H PHE A 410 15.674 87.114 21.086 1.00 0.00 H ATOM 580 N VAL A 411 17.665 88.199 24.414 1.00 32.92 N ATOM 581 CA VAL A 411 18.253 87.402 25.480 1.00 31.75 C ATOM 582 C VAL A 411 17.584 87.675 26.811 1.00 36.51 C ATOM 583 O VAL A 411 17.371 88.831 27.167 1.00 38.98 O ATOM 584 CB VAL A 411 19.703 87.703 25.614 1.00 30.23 C ATOM 585 CG1 VAL A 411 20.287 86.877 26.717 1.00 33.69 C ATOM 586 CG2 VAL A 411 20.377 87.428 24.310 1.00 34.79 C ATOM 587 H VAL A 411 17.914 89.206 24.341 1.00 0.00 H ATOM 588 N HIS A 412 17.271 86.617 27.554 1.00 36.84 N ATOM 589 CA HIS A 412 16.623 86.746 28.854 1.00 36.86 C ATOM 590 C HIS A 412 17.417 86.052 29.943 1.00 39.16 C ATOM 591 O HIS A 412 17.988 84.994 29.701 1.00 37.83 O ATOM 592 CB HIS A 412 15.236 86.132 28.809 1.00 36.33 C ATOM 593 CG HIS A 412 14.264 86.864 27.938 1.00 39.96 C ATOM 594 ND1 HIS A 412 13.324 87.734 28.436 1.00 42.43 N ATOM 595 CD2 HIS A 412 14.046 86.802 26.602 1.00 41.99 C ATOM 596 CE1 HIS A 412 12.574 88.191 27.447 1.00 39.50 C ATOM 597 NE2 HIS A 412 12.992 87.637 26.325 1.00 38.28 N ATOM 598 H HIS A 412 17.496 85.667 27.196 1.00 0.00 H ATOM 599 N THR A 413 17.413 86.591 31.157 1.00 43.00 N ATOM 600 CA THR A 413 18.039 85.857 32.252 1.00 41.63 C ATOM 601 C THR A 413 17.000 84.945 32.870 1.00 44.28 C ATOM 602 O THR A 413 15.822 85.272 32.909 1.00 45.09 O ATOM 603 CB THR A 413 18.628 86.763 33.342 1.00 41.93 C ATOM 604 OG1 THR A 413 17.565 87.388 34.068 1.00 55.32 O ATOM 605 CG2 THR A 413 19.523 87.830 32.732 1.00 42.12 C ATOM 606 HG1 THR A 413 16.999 86.692 34.487 1.00 0.00 H ATOM 607 H THR A 413 16.972 87.518 31.324 1.00 0.00 H ATOM 608 N MET A 414 17.443 83.775 33.303 1.00 46.30 N ATOM 609 CA MET A 414 16.610 82.843 34.032 1.00 41.38 C ATOM 610 C MET A 414 17.191 82.607 35.423 1.00 47.88 C ATOM 611 O MET A 414 18.372 82.876 35.655 1.00 53.49 O ATOM 612 CB MET A 414 16.537 81.529 33.290 1.00 43.20 C ATOM 613 CG MET A 414 16.102 81.618 31.852 1.00 41.68 C ATOM 614 SD MET A 414 15.869 79.929 31.239 1.00 51.72 S ATOM 615 CE MET A 414 14.197 79.586 31.784 1.00 49.56 C ATOM 616 H MET A 414 18.431 83.515 33.111 1.00 0.00 H ATOM 617 N GLN A 415 16.390 82.085 36.345 1.00 49.84 N ATOM 618 CA GLN A 415 16.925 81.687 37.646 1.00 50.06 C ATOM 619 C GLN A 415 17.776 80.430 37.559 1.00 49.80 C ATOM 620 O GLN A 415 17.358 79.409 37.005 1.00 51.87 O ATOM 621 CB GLN A 415 15.806 81.492 38.660 1.00 53.69 C ATOM 622 CG GLN A 415 15.620 82.679 39.583 1.00 61.24 C ATOM 623 CD GLN A 415 14.449 82.493 40.532 1.00 73.04 C ATOM 624 OE1 GLN A 415 13.498 81.757 40.230 1.00 67.82 O ATOM 625 NE2 GLN A 415 14.522 83.134 41.698 1.00 69.58 N ATOM 626 HE22 GLN A 415 15.340 83.741 41.907 1.00 0.00 H ATOM 627 HE21 GLN A 415 13.761 83.027 42.399 1.00 0.00 H ATOM 628 H GLN A 415 15.378 81.959 36.141 1.00 0.00 H ATOM 629 N GLY A 416 18.979 80.514 38.107 1.00 42.61 N ATOM 630 CA GLY A 416 19.925 79.423 38.002 1.00 49.84 C ATOM 631 C GLY A 416 20.543 78.925 39.293 1.00 55.30 C ATOM 632 O GLY A 416 20.490 79.599 40.323 1.00 54.76 O ATOM 633 H GLY A 416 19.248 81.377 38.621 1.00 0.00 H ATOM 634 N GLU A 417 21.136 77.736 39.221 1.00 54.25 N ATOM 635 CA GLU A 417 21.781 77.120 40.365 1.00 50.85 C ATOM 636 C GLU A 417 22.693 78.061 41.108 1.00 51.80 C ATOM 637 O GLU A 417 22.659 78.108 42.324 1.00 58.44 O ATOM 638 CB GLU A 417 22.613 75.919 39.927 1.00 57.95 C ATOM 639 CG GLU A 417 21.849 74.624 39.758 1.00 69.15 C ATOM 640 CD GLU A 417 22.197 73.616 40.842 1.00 94.79 C ATOM 641 OE1 GLU A 417 22.356 74.033 42.016 1.00 86.83 O ATOM 642 OE2 GLU A 417 22.378 72.418 40.512 1.00 89.80 O ATOM 643 H GLU A 417 21.137 77.230 38.312 1.00 0.00 H ATOM 644 N TYR A 418 23.505 78.808 40.375 1.00 50.50 N ATOM 645 CA TYR A 418 24.576 79.594 40.974 1.00 51.11 C ATOM 646 C TYR A 418 24.195 81.054 41.245 1.00 55.38 C ATOM 647 O TYR A 418 25.072 81.857 41.592 1.00 53.18 O ATOM 648 CB TYR A 418 25.823 79.555 40.090 1.00 48.82 C ATOM 649 CG TYR A 418 26.144 78.180 39.562 1.00 48.06 C ATOM 650 CD1 TYR A 418 25.666 77.770 38.325 1.00 45.16 C ATOM 651 CD2 TYR A 418 26.920 77.296 40.292 1.00 50.50 C ATOM 652 CE1 TYR A 418 25.946 76.528 37.832 1.00 44.36 C ATOM 653 CE2 TYR A 418 27.216 76.036 39.796 1.00 50.55 C ATOM 654 CZ TYR A 418 26.718 75.659 38.564 1.00 45.86 C ATOM 655 OH TYR A 418 26.985 74.417 38.049 1.00 42.94 O ATOM 656 HH TYR A 418 26.549 74.327 37.165 1.00 0.00 H ATOM 657 H TYR A 418 23.375 78.834 39.344 1.00 0.00 H ATOM 658 N ASP A 419 22.912 81.397 41.080 1.00 53.83 N ATOM 659 CA ASP A 419 22.461 82.789 41.162 1.00 50.83 C ATOM 660 C ASP A 419 22.978 83.511 42.404 1.00 56.90 C ATOM 661 O ASP A 419 23.456 84.652 42.330 1.00 59.19 O ATOM 662 CB ASP A 419 20.945 82.846 41.132 1.00 53.26 C ATOM 663 CG ASP A 419 20.388 82.825 39.724 1.00 58.36 C ATOM 664 OD1 ASP A 419 21.174 82.612 38.773 1.00 60.62 O ATOM 665 OD2 ASP A 419 19.157 83.010 39.572 1.00 61.04 O ATOM 666 H ASP A 419 22.213 80.652 40.887 1.00 0.00 H ATOM 667 N SER A 420 22.894 82.829 43.539 1.00 58.49 N ATOM 668 CA SER A 420 23.341 83.360 44.825 1.00 55.08 C ATOM 669 C SER A 420 24.858 83.520 44.959 1.00 53.59 C ATOM 670 O SER A 420 25.334 84.032 45.951 1.00 56.48 O ATOM 671 CB SER A 420 22.818 82.460 45.929 1.00 52.64 C ATOM 672 OG SER A 420 22.949 81.115 45.505 1.00 63.45 O ATOM 673 HG SER A 420 22.612 80.512 46.214 1.00 0.00 H ATOM 674 H SER A 420 22.491 81.871 43.512 1.00 0.00 H ATOM 675 N HIS A 421 25.624 83.076 43.974 1.00 57.18 N ATOM 676 CA HIS A 421 27.078 83.199 44.051 1.00 56.17 C ATOM 677 C HIS A 421 27.614 84.239 43.084 1.00 56.47 C ATOM 678 O HIS A 421 28.755 84.674 43.217 1.00 60.50 O ATOM 679 CB HIS A 421 27.759 81.858 43.745 1.00 57.44 C ATOM 680 CG HIS A 421 27.641 80.847 44.841 1.00 62.41 C ATOM 681 ND1 HIS A 421 28.153 81.057 46.103 1.00 66.29 N ATOM 682 CD2 HIS A 421 27.034 79.639 44.873 1.00 61.89 C ATOM 683 CE1 HIS A 421 27.887 80.008 46.862 1.00 65.99 C ATOM 684 NE2 HIS A 421 27.208 79.135 46.143 1.00 65.34 N ATOM 685 H HIS A 421 25.187 82.636 43.139 1.00 0.00 H ATOM 686 N LEU A 422 26.806 84.628 42.101 1.00 48.99 N ATOM 687 CA LEU A 422 27.291 85.525 41.064 1.00 46.35 C ATOM 688 C LEU A 422 27.072 86.998 41.353 1.00 46.54 C ATOM 689 O LEU A 422 26.114 87.360 42.019 1.00 53.11 O ATOM 690 CB LEU A 422 26.613 85.180 39.747 1.00 48.86 C ATOM 691 CG LEU A 422 26.472 83.700 39.414 1.00 50.14 C ATOM 692 CD1 LEU A 422 25.366 83.508 38.368 1.00 50.65 C ATOM 693 CD2 LEU A 422 27.795 83.179 38.899 1.00 45.49 C ATOM 694 H LEU A 422 25.823 84.289 42.074 1.00 0.00 H ATOM 695 N PRO A 423 27.922 87.866 40.793 1.00 43.49 N ATOM 696 CA PRO A 423 27.645 89.295 40.929 1.00 44.99 C ATOM 697 C PRO A 423 26.439 89.751 40.080 1.00 51.73 C ATOM 698 O PRO A 423 26.276 89.332 38.928 1.00 49.35 O ATOM 699 CB PRO A 423 28.941 89.946 40.434 1.00 35.59 C ATOM 700 CG PRO A 423 29.533 88.981 39.533 1.00 31.82 C ATOM 701 CD PRO A 423 29.184 87.624 40.080 1.00 41.55 C ATOM 702 N TRP A 424 25.592 90.598 40.660 1.00 53.09 N ATOM 703 CA TRP A 424 24.458 91.158 39.941 1.00 46.79 C ATOM 704 C TRP A 424 24.480 92.680 39.953 1.00 50.06 C ATOM 705 O TRP A 424 24.846 93.287 40.951 1.00 53.78 O ATOM 706 CB TRP A 424 23.158 90.653 40.539 1.00 44.97 C ATOM 707 CG TRP A 424 22.988 89.208 40.398 1.00 44.41 C ATOM 708 CD1 TRP A 424 23.248 88.260 41.328 1.00 45.58 C ATOM 709 CD2 TRP A 424 22.535 88.519 39.232 1.00 46.59 C ATOM 710 NE1 TRP A 424 22.959 87.017 40.826 1.00 47.45 N ATOM 711 CE2 TRP A 424 22.523 87.153 39.533 1.00 45.52 C ATOM 712 CE3 TRP A 424 22.131 88.930 37.956 1.00 46.27 C ATOM 713 CZ2 TRP A 424 22.135 86.198 38.617 1.00 47.21 C ATOM 714 CZ3 TRP A 424 21.730 87.987 37.058 1.00 39.87 C ATOM 715 CH2 TRP A 424 21.740 86.638 37.386 1.00 45.20 C ATOM 716 HE1 TRP A 424 23.055 86.119 41.341 1.00 0.00 H ATOM 717 H TRP A 424 25.745 90.867 41.653 1.00 0.00 H ATOM 718 N PRO A 425 24.085 93.309 38.840 1.00 49.86 N ATOM 719 CA PRO A 425 23.565 92.688 37.613 1.00 50.33 C ATOM 720 C PRO A 425 24.641 92.020 36.761 1.00 50.07 C ATOM 721 O PRO A 425 25.822 92.308 36.940 1.00 51.96 O ATOM 722 CB PRO A 425 22.973 93.875 36.856 1.00 50.94 C ATOM 723 CG PRO A 425 23.851 95.025 37.270 1.00 51.89 C ATOM 724 CD PRO A 425 24.176 94.775 38.721 1.00 45.66 C ATOM 725 N PHE A 426 24.234 91.154 35.840 1.00 50.66 N ATOM 726 CA PHE A 426 25.170 90.618 34.870 1.00 44.83 C ATOM 727 C PHE A 426 25.747 91.799 34.118 1.00 47.76 C ATOM 728 O PHE A 426 25.008 92.672 33.656 1.00 52.95 O ATOM 729 CB PHE A 426 24.507 89.651 33.890 1.00 44.54 C ATOM 730 CG PHE A 426 25.381 89.313 32.713 1.00 50.44 C ATOM 731 CD1 PHE A 426 26.313 88.297 32.793 1.00 53.59 C ATOM 732 CD2 PHE A 426 25.318 90.055 31.541 1.00 53.43 C ATOM 733 CE1 PHE A 426 27.144 88.009 31.711 1.00 53.67 C ATOM 734 CE2 PHE A 426 26.144 89.776 30.464 1.00 47.38 C ATOM 735 CZ PHE A 426 27.052 88.751 30.547 1.00 51.16 C ATOM 736 H PHE A 426 23.237 90.858 35.814 1.00 0.00 H ATOM 737 N GLN A 427 27.068 91.836 34.033 1.00 50.62 N ATOM 738 CA GLN A 427 27.801 92.849 33.282 1.00 48.12 C ATOM 739 C GLN A 427 28.687 92.141 32.266 1.00 57.08 C ATOM 740 O GLN A 427 29.409 91.191 32.620 1.00 62.58 O ATOM 741 CB GLN A 427 28.640 93.685 34.229 1.00 49.90 C ATOM 742 CG GLN A 427 28.813 95.125 33.876 1.00 56.19 C ATOM 743 CD GLN A 427 28.833 95.971 35.137 1.00 61.68 C ATOM 744 OE1 GLN A 427 28.334 95.541 36.190 1.00 56.74 O ATOM 745 NE2 GLN A 427 29.419 97.165 35.050 1.00 62.68 N ATOM 746 HE22 GLN A 427 29.823 97.481 34.145 1.00 0.00 H ATOM 747 HE21 GLN A 427 29.472 97.780 35.887 1.00 0.00 H ATOM 748 H GLN A 427 27.613 91.102 34.529 1.00 0.00 H ATOM 749 N GLY A 428 28.688 92.599 31.021 1.00 54.65 N ATOM 750 CA GLY A 428 29.492 91.910 30.028 1.00 51.69 C ATOM 751 C GLY A 428 29.063 92.095 28.591 1.00 50.85 C ATOM 752 O GLY A 428 28.484 93.116 28.219 1.00 56.49 O ATOM 753 H GLY A 428 28.125 93.434 30.762 1.00 0.00 H ATOM 754 N THR A 429 29.451 91.144 27.755 1.00 49.50 N ATOM 755 CA THR A 429 29.165 91.227 26.341 1.00 50.01 C ATOM 756 C THR A 429 28.429 89.980 25.871 1.00 47.65 C ATOM 757 O THR A 429 28.731 88.862 26.286 1.00 46.57 O ATOM 758 CB THR A 429 30.454 91.454 25.530 1.00 52.98 C ATOM 759 OG1 THR A 429 30.796 92.836 25.619 1.00 59.44 O ATOM 760 CG2 THR A 429 30.249 91.154 24.070 1.00 54.52 C ATOM 761 HG1 THR A 429 30.058 93.382 25.248 1.00 0.00 H ATOM 762 H THR A 429 29.971 90.322 28.123 1.00 0.00 H ATOM 763 N ILE A 430 27.409 90.192 25.053 1.00 43.71 N ATOM 764 CA ILE A 430 26.694 89.093 24.460 1.00 44.46 C ATOM 765 C ILE A 430 26.811 89.228 22.973 1.00 46.21 C ATOM 766 O ILE A 430 26.596 90.311 22.434 1.00 49.11 O ATOM 767 CB ILE A 430 25.230 89.077 24.884 1.00 45.07 C ATOM 768 CG1 ILE A 430 25.155 88.926 26.408 1.00 41.42 C ATOM 769 CG2 ILE A 430 24.468 87.974 24.136 1.00 39.83 C ATOM 770 CD1 ILE A 430 23.802 88.600 26.935 1.00 41.73 C ATOM 771 H ILE A 430 27.121 91.167 24.836 1.00 0.00 H ATOM 772 N ARG A 431 27.175 88.140 22.309 1.00 45.44 N ATOM 773 CA ARG A 431 27.377 88.178 20.875 1.00 44.00 C ATOM 774 C ARG A 431 26.344 87.223 20.295 1.00 45.64 C ATOM 775 O ARG A 431 26.331 86.036 20.612 1.00 47.40 O ATOM 776 CB ARG A 431 28.797 87.779 20.509 1.00 46.92 C ATOM 777 CG ARG A 431 29.029 87.516 19.031 1.00 60.85 C ATOM 778 CD ARG A 431 30.529 87.263 18.695 1.00 76.58 C ATOM 779 NE ARG A 431 31.460 88.026 19.534 1.00 82.07 N ATOM 780 CZ ARG A 431 32.553 88.644 19.084 1.00 83.10 C ATOM 781 NH1 ARG A 431 32.872 88.594 17.796 1.00 83.44 N ATOM 782 NH2 ARG A 431 33.327 89.322 19.926 1.00 82.50 N ATOM 783 HE ARG A 431 31.253 88.089 20.551 1.00 0.00 H ATOM 784 HH12 ARG A 431 33.726 89.078 17.453 1.00 0.00 H ATOM 785 HH11 ARG A 431 32.268 88.070 17.131 1.00 0.00 H ATOM 786 HH22 ARG A 431 34.179 89.804 19.576 1.00 0.00 H ATOM 787 HH21 ARG A 431 33.080 89.370 20.935 1.00 0.00 H ATOM 788 H ARG A 431 27.317 87.248 22.824 1.00 0.00 H ATOM 789 N LEU A 432 25.419 87.752 19.507 1.00 44.94 N ATOM 790 CA LEU A 432 24.353 86.936 18.961 1.00 42.69 C ATOM 791 C LEU A 432 24.606 86.708 17.484 1.00 46.30 C ATOM 792 O LEU A 432 24.713 87.677 16.733 1.00 45.64 O ATOM 793 CB LEU A 432 23.000 87.614 19.153 1.00 43.91 C ATOM 794 CG LEU A 432 22.469 87.685 20.579 1.00 44.22 C ATOM 795 CD1 LEU A 432 21.178 88.484 20.638 1.00 38.85 C ATOM 796 CD2 LEU A 432 22.293 86.285 21.144 1.00 44.87 C ATOM 797 H LEU A 432 25.459 88.766 19.278 1.00 0.00 H ATOM 798 N THR A 433 24.714 85.448 17.059 1.00 45.21 N ATOM 799 CA THR A 433 24.992 85.177 15.647 1.00 47.77 C ATOM 800 C THR A 433 24.039 84.189 14.998 1.00 44.31 C ATOM 801 O THR A 433 23.814 83.104 15.522 1.00 46.57 O ATOM 802 CB THR A 433 26.401 84.626 15.433 1.00 49.60 C ATOM 803 OG1 THR A 433 27.349 85.406 16.175 1.00 61.39 O ATOM 804 CG2 THR A 433 26.745 84.691 13.954 1.00 48.63 C ATOM 805 HG1 THR A 433 28.258 85.043 16.031 1.00 0.00 H ATOM 806 H THR A 433 24.601 84.660 17.729 1.00 0.00 H ATOM 807 N ILE A 434 23.534 84.531 13.821 1.00 38.88 N ATOM 808 CA ILE A 434 22.875 83.528 13.016 1.00 44.83 C ATOM 809 C ILE A 434 23.889 82.994 12.018 1.00 47.25 C ATOM 810 O ILE A 434 24.345 83.711 11.134 1.00 47.04 O ATOM 811 CB ILE A 434 21.645 84.071 12.280 1.00 45.79 C ATOM 812 CG1 ILE A 434 20.572 84.469 13.295 1.00 38.09 C ATOM 813 CG2 ILE A 434 21.124 83.029 11.299 1.00 37.55 C ATOM 814 CD1 ILE A 434 19.245 84.799 12.673 1.00 34.00 C ATOM 815 H ILE A 434 23.611 85.511 13.481 1.00 0.00 H ATOM 816 N LEU A 435 24.227 81.717 12.188 1.00 48.79 N ATOM 817 CA LEU A 435 25.311 81.068 11.472 1.00 45.88 C ATOM 818 C LEU A 435 24.962 80.713 10.027 1.00 52.01 C ATOM 819 O LEU A 435 23.825 80.351 9.712 1.00 54.17 O ATOM 820 CB LEU A 435 25.736 79.797 12.216 1.00 45.00 C ATOM 821 CG LEU A 435 26.363 79.994 13.601 1.00 48.79 C ATOM 822 CD1 LEU A 435 26.875 78.688 14.178 1.00 43.24 C ATOM 823 CD2 LEU A 435 27.472 81.032 13.582 1.00 46.69 C ATOM 824 H LEU A 435 23.684 81.153 12.872 1.00 0.00 H ATOM 825 N ASP A 436 25.967 80.841 9.166 1.00 54.78 N ATOM 826 CA ASP A 436 25.940 80.396 7.778 1.00 52.65 C ATOM 827 C ASP A 436 26.329 78.926 7.658 1.00 56.33 C ATOM 828 O ASP A 436 27.327 78.494 8.231 1.00 61.18 O ATOM 829 CB ASP A 436 26.899 81.253 6.949 1.00 60.43 C ATOM 830 CG ASP A 436 26.851 80.938 5.466 1.00 63.35 C ATOM 831 OD1 ASP A 436 25.944 80.197 5.028 1.00 66.96 O ATOM 832 OD2 ASP A 436 27.744 81.424 4.735 1.00 66.05 O ATOM 833 H ASP A 436 26.839 81.293 9.509 1.00 0.00 H ATOM 834 N GLN A 437 25.519 78.155 6.943 1.00 56.97 N ATOM 835 CA GLN A 437 25.804 76.747 6.725 1.00 56.78 C ATOM 836 C GLN A 437 26.098 76.402 5.235 1.00 64.91 C ATOM 837 O GLN A 437 26.016 75.241 4.810 1.00 65.88 O ATOM 838 CB GLN A 437 24.636 75.946 7.258 1.00 53.51 C ATOM 839 CG GLN A 437 24.324 76.323 8.674 1.00 50.45 C ATOM 840 CD GLN A 437 23.457 75.305 9.375 1.00 58.61 C ATOM 841 OE1 GLN A 437 23.928 74.232 9.787 1.00 59.61 O ATOM 842 NE2 GLN A 437 22.174 75.631 9.514 1.00 52.06 N ATOM 843 HE22 GLN A 437 21.827 76.542 9.152 1.00 0.00 H ATOM 844 HE21 GLN A 437 21.519 74.975 9.985 1.00 0.00 H ATOM 845 H GLN A 437 24.659 78.569 6.529 1.00 0.00 H ATOM 846 N SER A 438 26.440 77.421 4.449 1.00 65.30 N ATOM 847 CA SER A 438 26.882 77.229 3.073 1.00 63.34 C ATOM 848 C SER A 438 28.286 76.654 3.137 1.00 65.87 C ATOM 849 O SER A 438 28.965 76.829 4.148 1.00 62.86 O ATOM 850 CB SER A 438 26.814 78.523 2.271 1.00 65.98 C ATOM 851 OG SER A 438 27.596 79.549 2.848 1.00 71.07 O ATOM 852 HG SER A 438 27.269 79.736 3.764 1.00 0.00 H ATOM 853 H SER A 438 26.390 78.387 4.830 1.00 0.00 H ATOM 854 N GLU A 439 28.715 75.934 2.103 1.00 73.53 N ATOM 855 CA GLU A 439 30.043 75.326 2.137 1.00 76.68 C ATOM 856 C GLU A 439 31.041 76.207 1.384 1.00 77.56 C ATOM 857 O GLU A 439 31.406 75.940 0.235 1.00 79.16 O ATOM 858 CB GLU A 439 29.995 73.928 1.521 1.00 69.62 C ATOM 859 H GLU A 439 28.105 75.804 1.271 1.00 0.00 H ATOM 860 N ALA A 440 31.537 77.225 2.079 1.00 77.31 N ATOM 861 CA ALA A 440 32.321 78.262 1.431 1.00 78.46 C ATOM 862 C ALA A 440 33.061 79.144 2.411 1.00 81.95 C ATOM 863 O ALA A 440 32.517 80.172 2.821 1.00 79.64 O ATOM 864 CB ALA A 440 31.417 79.125 0.562 1.00 68.29 C ATOM 865 H ALA A 440 31.361 77.280 3.103 1.00 0.00 H ATOM 866 N PRO A 441 34.282 78.748 2.808 1.00 83.98 N ATOM 867 CA PRO A 441 35.105 79.684 3.575 1.00 73.28 C ATOM 868 C PRO A 441 35.474 80.830 2.659 1.00 74.62 C ATOM 869 O PRO A 441 35.761 80.561 1.489 1.00 78.43 O ATOM 870 CB PRO A 441 36.334 78.855 3.967 1.00 71.75 C ATOM 871 CG PRO A 441 35.927 77.422 3.773 1.00 78.61 C ATOM 872 CD PRO A 441 34.953 77.450 2.619 1.00 86.59 C ATOM 873 N VAL A 442 35.435 82.070 3.131 1.00 70.60 N ATOM 874 CA VAL A 442 34.989 82.423 4.467 1.00 71.40 C ATOM 875 C VAL A 442 33.454 82.489 4.573 1.00 79.53 C ATOM 876 O VAL A 442 32.797 83.201 3.801 1.00 78.90 O ATOM 877 CB VAL A 442 35.576 83.784 4.882 1.00 58.99 C ATOM 878 H VAL A 442 35.744 82.839 2.503 1.00 0.00 H ATOM 879 N ARG A 443 32.880 81.780 5.547 1.00 71.94 N ATOM 880 CA ARG A 443 31.422 81.773 5.709 1.00 64.51 C ATOM 881 C ARG A 443 30.958 83.147 6.198 1.00 65.30 C ATOM 882 O ARG A 443 31.672 83.832 6.929 1.00 67.73 O ATOM 883 CB ARG A 443 30.984 80.668 6.654 1.00 66.48 C ATOM 884 CG ARG A 443 30.868 79.325 5.977 1.00 74.05 C ATOM 885 CD ARG A 443 30.729 78.180 6.949 1.00 73.10 C ATOM 886 NE ARG A 443 30.836 76.915 6.227 1.00 83.97 N ATOM 887 CZ ARG A 443 31.958 76.447 5.671 1.00 86.69 C ATOM 888 NH1 ARG A 443 33.082 77.158 5.662 1.00 81.12 N ATOM 889 NH2 ARG A 443 31.943 75.273 5.064 1.00 86.41 N ATOM 890 HE ARG A 443 29.977 76.336 6.139 1.00 0.00 H ATOM 891 HH12 ARG A 443 33.940 76.769 5.222 1.00 0.00 H ATOM 892 HH11 ARG A 443 33.103 78.103 6.095 1.00 0.00 H ATOM 893 HH22 ARG A 443 32.811 74.901 4.629 1.00 0.00 H ATOM 894 HH21 ARG A 443 31.063 74.721 5.022 1.00 0.00 H ATOM 895 H ARG A 443 33.473 81.227 6.198 1.00 0.00 H ATOM 896 N GLN A 444 29.754 83.559 5.804 1.00 63.89 N ATOM 897 CA GLN A 444 29.276 84.904 6.137 1.00 60.17 C ATOM 898 C GLN A 444 28.141 84.889 7.138 1.00 57.42 C ATOM 899 O GLN A 444 26.957 84.916 6.789 1.00 57.97 O ATOM 900 CB GLN A 444 28.818 85.618 4.856 1.00 61.44 C ATOM 901 CG GLN A 444 29.878 85.675 3.798 1.00 61.45 C ATOM 902 CD GLN A 444 31.044 86.544 4.221 1.00 66.84 C ATOM 903 OE1 GLN A 444 32.124 86.042 4.549 1.00 67.25 O ATOM 904 NE2 GLN A 444 30.832 87.856 4.218 1.00 65.62 N ATOM 905 HE22 GLN A 444 29.905 88.232 3.934 1.00 0.00 H ATOM 906 HE21 GLN A 444 31.593 88.506 4.500 1.00 0.00 H ATOM 907 H GLN A 444 29.146 82.919 5.254 1.00 0.00 H ATOM 908 N ASN A 445 28.546 84.861 8.401 1.00 56.09 N ATOM 909 CA ASN A 445 27.630 84.915 9.522 1.00 51.91 C ATOM 910 C ASN A 445 27.042 86.294 9.702 1.00 49.91 C ATOM 911 O ASN A 445 27.683 87.309 9.387 1.00 51.43 O ATOM 912 CB ASN A 445 28.313 84.485 10.800 1.00 47.54 C ATOM 913 CG ASN A 445 28.779 83.085 10.737 1.00 43.51 C ATOM 914 OD1 ASN A 445 28.207 82.280 10.021 1.00 46.71 O ATOM 915 ND2 ASN A 445 29.795 82.759 11.522 1.00 48.26 N ATOM 916 HD22 ASN A 445 30.248 83.484 12.114 1.00 0.00 H ATOM 917 HD21 ASN A 445 30.139 81.778 11.547 1.00 0.00 H ATOM 918 H ASN A 445 29.566 84.798 8.595 1.00 0.00 H ATOM 919 N HIS A 446 25.803 86.318 10.170 1.00 48.50 N ATOM 920 CA HIS A 446 25.145 87.564 10.501 1.00 52.37 C ATOM 921 C HIS A 446 25.214 87.813 12.009 1.00 51.41 C ATOM 922 O HIS A 446 24.508 87.139 12.757 1.00 49.89 O ATOM 923 CB HIS A 446 23.700 87.513 10.038 1.00 49.40 C ATOM 924 CG HIS A 446 23.019 88.840 10.049 1.00 54.51 C ATOM 925 ND1 HIS A 446 22.849 89.597 8.911 1.00 55.27 N ATOM 926 CD2 HIS A 446 22.478 89.560 11.064 1.00 51.06 C ATOM 927 CE1 HIS A 446 22.221 90.719 9.217 1.00 53.47 C ATOM 928 NE2 HIS A 446 21.993 90.719 10.520 1.00 52.87 N ATOM 929 H HIS A 446 25.292 85.422 10.302 1.00 0.00 H ATOM 930 N GLU A 447 26.042 88.746 12.484 1.00 53.50 N ATOM 931 CA GLU A 447 26.126 88.895 13.939 1.00 56.78 C ATOM 932 C GLU A 447 26.077 90.333 14.445 1.00 55.81 C ATOM 933 O GLU A 447 26.490 91.264 13.774 1.00 61.92 O ATOM 934 CB GLU A 447 27.397 88.216 14.481 1.00 55.23 C ATOM 935 CG GLU A 447 28.683 89.041 14.415 1.00 66.75 C ATOM 936 CD GLU A 447 29.891 88.309 15.037 1.00 78.94 C ATOM 937 OE1 GLU A 447 30.226 87.202 14.551 1.00 78.13 O ATOM 938 OE2 GLU A 447 30.510 88.840 15.996 1.00 72.99 O ATOM 939 H GLU A 447 26.605 89.344 11.846 1.00 0.00 H ATOM 940 N GLU A 448 25.586 90.475 15.669 1.00 57.59 N ATOM 941 CA GLU A 448 25.526 91.748 16.358 1.00 58.27 C ATOM 942 C GLU A 448 26.106 91.531 17.735 1.00 55.76 C ATOM 943 O GLU A 448 25.834 90.516 18.370 1.00 53.23 O ATOM 944 CB GLU A 448 24.097 92.267 16.445 1.00 55.05 C ATOM 945 CG GLU A 448 23.472 92.632 15.099 1.00 64.64 C ATOM 946 CD GLU A 448 23.936 93.993 14.570 1.00 73.11 C ATOM 947 OE1 GLU A 448 24.949 94.535 15.085 1.00 72.09 O ATOM 948 OE2 GLU A 448 23.265 94.528 13.655 1.00 78.03 O ATOM 949 H GLU A 448 25.226 89.631 16.158 1.00 0.00 H ATOM 950 N ILE A 449 26.916 92.475 18.190 1.00 57.32 N ATOM 951 CA ILE A 449 27.498 92.384 19.517 1.00 52.89 C ATOM 952 C ILE A 449 26.838 93.427 20.399 1.00 55.33 C ATOM 953 O ILE A 449 26.810 94.615 20.060 1.00 59.13 O ATOM 954 CB ILE A 449 29.013 92.601 19.471 1.00 52.10 C ATOM 955 CG1 ILE A 449 29.637 91.713 18.388 1.00 65.30 C ATOM 956 CG2 ILE A 449 29.628 92.376 20.837 1.00 51.81 C ATOM 957 CD1 ILE A 449 31.171 91.686 18.382 1.00 73.62 C ATOM 958 H ILE A 449 27.138 93.293 17.588 1.00 0.00 H ATOM 959 N MET A 450 26.298 93.000 21.531 1.00 54.45 N ATOM 960 CA MET A 450 25.617 93.949 22.399 1.00 53.92 C ATOM 961 C MET A 450 26.233 93.985 23.772 1.00 50.33 C ATOM 962 O MET A 450 26.645 92.955 24.287 1.00 49.71 O ATOM 963 CB MET A 450 24.133 93.614 22.489 1.00 51.73 C ATOM 964 CG MET A 450 23.823 92.252 22.985 1.00 48.15 C ATOM 965 SD MET A 450 22.045 92.022 22.931 1.00 46.84 S ATOM 966 CE MET A 450 21.884 90.745 24.185 1.00 40.61 C ATOM 967 H MET A 450 26.360 91.996 21.797 1.00 0.00 H ATOM 968 N ASP A 451 26.289 95.190 24.342 1.00 55.17 N ATOM 969 CA ASP A 451 26.924 95.444 25.638 1.00 61.14 C ATOM 970 C ASP A 451 25.964 95.385 26.842 1.00 59.86 C ATOM 971 O ASP A 451 25.015 96.164 26.912 1.00 61.65 O ATOM 972 CB ASP A 451 27.594 96.832 25.591 1.00 68.88 C ATOM 973 CG ASP A 451 29.073 96.779 25.154 1.00 78.82 C ATOM 974 OD1 ASP A 451 29.638 95.667 25.054 1.00 78.63 O ATOM 975 OD2 ASP A 451 29.657 97.855 24.868 1.00 78.44 O ATOM 976 H ASP A 451 25.859 95.992 23.839 1.00 0.00 H ATOM 977 N ALA A 452 26.207 94.476 27.789 1.00 56.66 N ATOM 978 CA ALA A 452 25.434 94.464 29.039 1.00 52.83 C ATOM 979 C ALA A 452 25.870 95.587 29.976 1.00 56.85 C ATOM 980 O ALA A 452 26.917 95.504 30.623 1.00 60.40 O ATOM 981 CB ALA A 452 25.560 93.130 29.742 1.00 51.38 C ATOM 982 H ALA A 452 26.953 93.767 27.640 1.00 0.00 H ATOM 983 N LYS A 453 25.032 96.610 30.073 1.00 57.27 N ATOM 984 CA LYS A 453 25.241 97.760 30.944 1.00 54.71 C ATOM 985 C LYS A 453 24.581 97.552 32.311 1.00 51.71 C ATOM 986 O LYS A 453 23.438 97.090 32.396 1.00 47.79 O ATOM 987 CB LYS A 453 24.681 99.019 30.278 1.00 61.05 C ATOM 988 CG LYS A 453 24.931 99.124 28.771 1.00 63.39 C ATOM 989 CD LYS A 453 26.228 99.861 28.458 1.00 62.57 C ATOM 990 H LYS A 453 24.171 96.591 29.490 1.00 0.00 H ATOM 991 N PRO A 454 25.281 97.889 33.399 1.00 56.87 N ATOM 992 CA PRO A 454 24.637 97.668 34.706 1.00 61.85 C ATOM 993 C PRO A 454 23.321 98.454 34.911 1.00 57.01 C ATOM 994 O PRO A 454 22.527 98.052 35.774 1.00 54.55 O ATOM 995 CB PRO A 454 25.709 98.135 35.706 1.00 48.88 C ATOM 996 CG PRO A 454 26.515 99.103 34.943 1.00 53.86 C ATOM 997 CD PRO A 454 26.584 98.549 33.540 1.00 55.31 C ATOM 998 N GLU A 455 23.069 99.499 34.115 1.00 53.99 N ATOM 999 CA GLU A 455 21.870 100.326 34.302 1.00 50.44 C ATOM 1000 C GLU A 455 20.582 99.669 33.833 1.00 48.46 C ATOM 1001 O GLU A 455 19.517 100.236 34.015 1.00 43.93 O ATOM 1002 CB GLU A 455 22.013 101.669 33.592 1.00 48.28 C ATOM 1003 CG GLU A 455 22.410 101.567 32.139 1.00 57.21 C ATOM 1004 CD GLU A 455 23.917 101.717 31.948 1.00 64.36 C ATOM 1005 OE1 GLU A 455 24.689 101.206 32.802 1.00 57.55 O ATOM 1006 OE2 GLU A 455 24.329 102.354 30.948 1.00 71.16 O ATOM 1007 H GLU A 455 23.734 99.730 33.350 1.00 0.00 H ATOM 1008 N LEU A 456 20.658 98.463 33.286 1.00 47.63 N ATOM 1009 CA LEU A 456 19.456 97.840 32.760 1.00 46.64 C ATOM 1010 C LEU A 456 18.771 96.958 33.786 1.00 49.56 C ATOM 1011 O LEU A 456 19.419 96.409 34.677 1.00 52.03 O ATOM 1012 CB LEU A 456 19.781 96.986 31.534 1.00 49.96 C ATOM 1013 CG LEU A 456 20.468 97.551 30.296 1.00 52.66 C ATOM 1014 CD1 LEU A 456 21.224 96.445 29.551 1.00 47.20 C ATOM 1015 CD2 LEU A 456 19.389 98.151 29.410 1.00 48.38 C ATOM 1016 H LEU A 456 21.571 97.967 33.234 1.00 0.00 H ATOM 1017 N LEU A 457 17.451 96.836 33.661 1.00 48.13 N ATOM 1018 CA LEU A 457 16.693 95.895 34.467 1.00 46.11 C ATOM 1019 C LEU A 457 16.797 94.457 33.945 1.00 48.29 C ATOM 1020 O LEU A 457 16.680 93.496 34.707 1.00 50.55 O ATOM 1021 CB LEU A 457 15.217 96.300 34.532 1.00 50.25 C ATOM 1022 CG LEU A 457 14.779 97.464 35.424 1.00 46.44 C ATOM 1023 CD1 LEU A 457 13.313 97.712 35.218 1.00 44.60 C ATOM 1024 CD2 LEU A 457 15.069 97.186 36.887 1.00 42.46 C ATOM 1025 H LEU A 457 16.950 97.429 32.969 1.00 0.00 H ATOM 1026 N ALA A 458 17.037 94.308 32.648 1.00 49.40 N ATOM 1027 CA ALA A 458 17.010 92.993 32.021 1.00 52.81 C ATOM 1028 C ALA A 458 18.012 91.997 32.607 1.00 55.69 C ATOM 1029 O ALA A 458 17.756 90.791 32.584 1.00 61.37 O ATOM 1030 CB ALA A 458 17.239 93.135 30.520 1.00 49.03 C ATOM 1031 H ALA A 458 17.248 95.145 32.069 1.00 0.00 H ATOM 1032 N PHE A 459 19.114 92.486 33.171 1.00 49.00 N ATOM 1033 CA PHE A 459 20.145 91.581 33.684 1.00 51.50 C ATOM 1034 C PHE A 459 20.287 91.631 35.209 1.00 50.17 C ATOM 1035 O PHE A 459 21.237 91.096 35.795 1.00 42.85 O ATOM 1036 CB PHE A 459 21.468 91.868 32.993 1.00 54.99 C ATOM 1037 CG PHE A 459 21.394 91.668 31.523 1.00 55.13 C ATOM 1038 CD1 PHE A 459 21.689 92.703 30.649 1.00 51.36 C ATOM 1039 CD2 PHE A 459 20.970 90.450 31.014 1.00 53.19 C ATOM 1040 CE1 PHE A 459 21.586 92.513 29.292 1.00 50.11 C ATOM 1041 CE2 PHE A 459 20.861 90.254 29.656 1.00 50.29 C ATOM 1042 CZ PHE A 459 21.169 91.283 28.793 1.00 48.95 C ATOM 1043 H PHE A 459 19.244 93.515 33.248 1.00 0.00 H ATOM 1044 N GLN A 460 19.315 92.263 35.848 1.00 49.81 N ATOM 1045 CA GLN A 460 19.240 92.213 37.290 1.00 46.55 C ATOM 1046 C GLN A 460 18.927 90.790 37.707 1.00 46.90 C ATOM 1047 O GLN A 460 18.553 89.944 36.870 1.00 50.10 O ATOM 1048 CB GLN A 460 18.183 93.178 37.820 1.00 46.66 C ATOM 1049 CG GLN A 460 18.535 94.637 37.613 1.00 46.20 C ATOM 1050 CD GLN A 460 19.734 95.056 38.459 1.00 57.65 C ATOM 1051 OE1 GLN A 460 20.088 94.383 39.448 1.00 54.88 O ATOM 1052 NE2 GLN A 460 20.382 96.162 38.068 1.00 60.79 N ATOM 1053 HE22 GLN A 460 20.051 96.692 37.237 1.00 0.00 H ATOM 1054 HE21 GLN A 460 21.216 96.490 38.596 1.00 0.00 H ATOM 1055 H GLN A 460 18.603 92.797 35.310 1.00 0.00 H ATOM 1056 N ARG A 461 19.130 90.506 38.987 1.00 43.63 N ATOM 1057 CA ARG A 461 18.963 89.145 39.449 1.00 47.34 C ATOM 1058 C ARG A 461 17.526 88.693 39.239 1.00 47.78 C ATOM 1059 O ARG A 461 16.594 89.318 39.719 1.00 46.33 O ATOM 1060 CB ARG A 461 19.384 89.031 40.910 1.00 48.13 C ATOM 1061 CG ARG A 461 19.194 87.650 41.464 1.00 50.57 C ATOM 1062 CD ARG A 461 19.834 87.488 42.823 1.00 51.90 C ATOM 1063 NE ARG A 461 19.615 86.120 43.270 1.00 61.56 N ATOM 1064 CZ ARG A 461 20.186 85.574 44.332 1.00 59.94 C ATOM 1065 NH1 ARG A 461 21.044 86.287 45.049 1.00 58.87 N ATOM 1066 NH2 ARG A 461 19.904 84.314 44.657 1.00 55.74 N ATOM 1067 HE ARG A 461 18.963 85.529 42.715 1.00 0.00 H ATOM 1068 HH12 ARG A 461 21.498 85.867 45.885 1.00 0.00 H ATOM 1069 HH11 ARG A 461 21.263 87.266 44.775 1.00 0.00 H ATOM 1070 HH22 ARG A 461 20.350 83.880 45.490 1.00 0.00 H ATOM 1071 HH21 ARG A 461 19.238 83.764 44.078 1.00 0.00 H ATOM 1072 H ARG A 461 19.407 91.255 39.653 1.00 0.00 H ATOM 1073 N PRO A 462 17.344 87.602 38.496 1.00 49.87 N ATOM 1074 CA PRO A 462 15.976 87.165 38.212 1.00 57.14 C ATOM 1075 C PRO A 462 15.320 86.532 39.441 1.00 59.15 C ATOM 1076 O PRO A 462 15.990 85.849 40.224 1.00 60.71 O ATOM 1077 CB PRO A 462 16.164 86.149 37.075 1.00 53.21 C ATOM 1078 CG PRO A 462 17.514 85.590 37.313 1.00 52.23 C ATOM 1079 CD PRO A 462 18.347 86.737 37.861 1.00 51.23 C ATOM 1080 N THR A 463 14.023 86.786 39.606 1.00 58.16 N ATOM 1081 CA THR A 463 13.273 86.315 40.765 1.00 61.17 C ATOM 1082 C THR A 463 12.151 85.378 40.344 1.00 59.23 C ATOM 1083 O THR A 463 11.634 84.590 41.127 1.00 67.05 O ATOM 1084 CB THR A 463 12.688 87.504 41.565 1.00 60.94 C ATOM 1085 OG1 THR A 463 11.878 88.313 40.707 1.00 58.88 O ATOM 1086 CG2 THR A 463 13.809 88.350 42.157 1.00 55.25 C ATOM 1087 HG1 THR A 463 11.507 89.071 41.224 1.00 0.00 H ATOM 1088 H THR A 463 13.526 87.341 38.881 1.00 0.00 H ATOM 1089 N ILE A 464 11.794 85.485 39.082 1.00 58.75 N ATOM 1090 CA ILE A 464 10.884 84.574 38.419 1.00 58.84 C ATOM 1091 C ILE A 464 11.714 83.585 37.590 1.00 56.82 C ATOM 1092 O ILE A 464 12.853 83.893 37.244 1.00 54.94 O ATOM 1093 CB ILE A 464 9.862 85.399 37.562 1.00 55.56 C ATOM 1094 CG1 ILE A 464 8.539 85.511 38.324 1.00 69.00 C ATOM 1095 CG2 ILE A 464 9.615 84.802 36.217 1.00 53.19 C ATOM 1096 CD1 ILE A 464 7.396 86.186 37.565 1.00 69.48 C ATOM 1097 H ILE A 464 12.189 86.271 38.527 1.00 0.00 H ATOM 1098 N PRO A 465 11.200 82.363 37.361 1.00 58.06 N ATOM 1099 CA PRO A 465 11.959 81.408 36.546 1.00 57.60 C ATOM 1100 C PRO A 465 12.549 82.019 35.249 1.00 59.71 C ATOM 1101 O PRO A 465 13.749 81.827 35.004 1.00 57.08 O ATOM 1102 CB PRO A 465 10.917 80.349 36.215 1.00 48.63 C ATOM 1103 CG PRO A 465 10.026 80.334 37.378 1.00 46.13 C ATOM 1104 CD PRO A 465 9.973 81.755 37.905 1.00 56.40 C ATOM 1105 N ARG A 466 11.746 82.760 34.469 1.00 54.67 N ATOM 1106 CA ARG A 466 12.240 83.418 33.258 1.00 49.23 C ATOM 1107 C ARG A 466 11.841 84.894 33.210 1.00 49.83 C ATOM 1108 O ARG A 466 10.684 85.234 33.015 1.00 55.64 O ATOM 1109 CB ARG A 466 11.722 82.679 32.019 1.00 59.83 C ATOM 1110 CG ARG A 466 12.541 82.882 30.736 1.00 58.38 C ATOM 1111 CD ARG A 466 11.905 82.133 29.559 1.00 63.95 C ATOM 1112 NE ARG A 466 10.522 82.556 29.340 1.00 73.68 N ATOM 1113 CZ ARG A 466 10.157 83.728 28.813 1.00 74.77 C ATOM 1114 NH1 ARG A 466 11.067 84.630 28.435 1.00 63.46 N ATOM 1115 NH2 ARG A 466 8.865 84.003 28.670 1.00 77.75 N ATOM 1116 HE ARG A 466 9.767 81.896 29.615 1.00 0.00 H ATOM 1117 HH12 ARG A 466 10.762 85.537 28.027 1.00 0.00 H ATOM 1118 HH11 ARG A 466 12.080 84.426 28.549 1.00 0.00 H ATOM 1119 HH22 ARG A 466 8.569 84.912 28.261 1.00 0.00 H ATOM 1120 HH21 ARG A 466 8.150 83.309 28.967 1.00 0.00 H ATOM 1121 H ARG A 466 10.746 82.870 34.732 1.00 0.00 H ATOM 1122 N ASN A 467 12.817 85.768 33.387 1.00 49.10 N ATOM 1123 CA ASN A 467 12.608 87.208 33.384 1.00 44.56 C ATOM 1124 C ASN A 467 11.952 87.689 32.097 1.00 51.28 C ATOM 1125 O ASN A 467 12.525 87.524 31.034 1.00 53.88 O ATOM 1126 CB ASN A 467 13.954 87.892 33.569 1.00 48.50 C ATOM 1127 CG ASN A 467 13.822 89.330 33.968 1.00 56.88 C ATOM 1128 OD1 ASN A 467 12.727 89.905 33.886 1.00 49.10 O ATOM 1129 ND2 ASN A 467 14.955 89.949 34.373 1.00 57.34 N ATOM 1130 HD22 ASN A 467 15.848 89.418 34.424 1.00 0.00 H ATOM 1131 HD21 ASN A 467 14.933 90.956 34.634 1.00 0.00 H ATOM 1132 H ASN A 467 13.782 85.409 33.536 1.00 0.00 H ATOM 1133 N PRO A 468 10.755 88.303 32.169 1.00 59.50 N ATOM 1134 CA PRO A 468 10.109 88.696 30.897 1.00 49.17 C ATOM 1135 C PRO A 468 10.849 89.854 30.241 1.00 52.15 C ATOM 1136 O PRO A 468 10.728 90.065 29.033 1.00 51.72 O ATOM 1137 CB PRO A 468 8.711 89.139 31.308 1.00 46.09 C ATOM 1138 CG PRO A 468 8.590 88.800 32.770 1.00 54.33 C ATOM 1139 CD PRO A 468 9.958 88.690 33.341 1.00 53.78 C ATOM 1140 N LYS A 469 11.611 90.602 31.035 1.00 51.96 N ATOM 1141 CA LYS A 469 12.394 91.692 30.489 1.00 47.03 C ATOM 1142 C LYS A 469 13.606 91.087 29.812 1.00 44.97 C ATOM 1143 O LYS A 469 14.432 90.410 30.438 1.00 51.89 O ATOM 1144 CB LYS A 469 12.806 92.680 31.585 1.00 49.33 C ATOM 1145 CG LYS A 469 11.732 93.702 31.935 1.00 54.44 C ATOM 1146 CD LYS A 469 11.899 94.265 33.336 1.00 49.73 C ATOM 1147 CE LYS A 469 10.930 93.598 34.288 1.00 62.97 C ATOM 1148 NZ LYS A 469 11.617 92.593 35.160 1.00 67.43 N ATOM 1149 HZ1 LYS A 469 12.051 91.859 34.565 1.00 0.00 H ATOM 1150 HZ2 LYS A 469 12.354 93.068 35.720 1.00 0.00 H ATOM 1151 HZ3 LYS A 469 10.922 92.157 35.799 1.00 0.00 H ATOM 1152 H LYS A 469 11.645 90.403 32.055 1.00 0.00 H ATOM 1153 N GLY A 470 13.689 91.307 28.511 1.00 41.94 N ATOM 1154 CA GLY A 470 14.756 90.738 27.714 1.00 38.84 C ATOM 1155 C GLY A 470 15.485 91.854 27.024 1.00 36.66 C ATOM 1156 O GLY A 470 15.068 93.003 27.082 1.00 39.45 O ATOM 1157 H GLY A 470 12.972 91.902 28.049 1.00 0.00 H ATOM 1158 N PHE A 471 16.566 91.517 26.349 1.00 38.84 N ATOM 1159 CA PHE A 471 17.444 92.528 25.786 1.00 38.09 C ATOM 1160 C PHE A 471 17.922 92.047 24.455 1.00 36.33 C ATOM 1161 O PHE A 471 18.476 90.956 24.362 1.00 37.73 O ATOM 1162 CB PHE A 471 18.606 92.789 26.743 1.00 41.73 C ATOM 1163 CG PHE A 471 19.493 93.914 26.335 1.00 39.85 C ATOM 1164 CD1 PHE A 471 19.008 95.204 26.268 1.00 42.36 C ATOM 1165 CD2 PHE A 471 20.838 93.696 26.092 1.00 41.96 C ATOM 1166 CE1 PHE A 471 19.841 96.254 25.902 1.00 41.97 C ATOM 1167 CE2 PHE A 471 21.681 94.742 25.736 1.00 42.73 C ATOM 1168 CZ PHE A 471 21.182 96.019 25.636 1.00 40.62 C ATOM 1169 H PHE A 471 16.794 90.511 26.217 1.00 0.00 H ATOM 1170 N GLY A 472 17.699 92.830 23.414 1.00 34.60 N ATOM 1171 CA GLY A 472 18.086 92.371 22.102 1.00 34.07 C ATOM 1172 C GLY A 472 17.625 93.247 20.967 1.00 33.98 C ATOM 1173 O GLY A 472 17.435 94.443 21.115 1.00 33.42 O ATOM 1174 H GLY A 472 17.252 93.761 23.538 1.00 0.00 H ATOM 1175 N TYR A 473 17.475 92.631 19.808 1.00 36.66 N ATOM 1176 CA TYR A 473 17.221 93.365 18.594 1.00 39.44 C ATOM 1177 C TYR A 473 15.839 93.086 18.027 1.00 40.90 C ATOM 1178 O TYR A 473 15.511 91.943 17.687 1.00 37.07 O ATOM 1179 CB TYR A 473 18.293 93.031 17.545 1.00 38.22 C ATOM 1180 CG TYR A 473 19.698 93.420 17.944 1.00 39.87 C ATOM 1181 CD1 TYR A 473 20.484 92.571 18.695 1.00 42.93 C ATOM 1182 CD2 TYR A 473 20.231 94.647 17.576 1.00 45.87 C ATOM 1183 CE1 TYR A 473 21.777 92.931 19.066 1.00 47.77 C ATOM 1184 CE2 TYR A 473 21.513 95.014 17.937 1.00 49.27 C ATOM 1185 CZ TYR A 473 22.287 94.149 18.682 1.00 51.89 C ATOM 1186 OH TYR A 473 23.578 94.491 19.053 1.00 57.57 O ATOM 1187 HH TYR A 473 23.975 93.753 19.579 1.00 0.00 H ATOM 1188 H TYR A 473 17.542 91.594 19.771 1.00 0.00 H ATOM 1189 N VAL A 474 15.037 94.135 17.879 1.00 42.58 N ATOM 1190 CA VAL A 474 13.775 93.958 17.184 1.00 40.97 C ATOM 1191 C VAL A 474 14.036 93.668 15.708 1.00 41.40 C ATOM 1192 O VAL A 474 13.418 92.775 15.128 1.00 40.59 O ATOM 1193 CB VAL A 474 12.879 95.180 17.299 1.00 39.89 C ATOM 1194 CG1 VAL A 474 11.497 94.849 16.762 1.00 41.22 C ATOM 1195 CG2 VAL A 474 12.769 95.607 18.739 1.00 41.82 C ATOM 1196 H VAL A 474 15.309 95.066 18.254 1.00 0.00 H ATOM 1197 N THR A 475 14.977 94.393 15.105 1.00 45.69 N ATOM 1198 CA THR A 475 15.317 94.161 13.690 1.00 48.95 C ATOM 1199 C THR A 475 16.634 93.432 13.512 1.00 43.66 C ATOM 1200 O THR A 475 17.569 94.000 12.949 1.00 50.25 O ATOM 1201 CB THR A 475 15.430 95.479 12.880 1.00 47.59 C ATOM 1202 OG1 THR A 475 16.385 96.354 13.505 1.00 51.72 O ATOM 1203 CG2 THR A 475 14.077 96.156 12.744 1.00 41.84 C ATOM 1204 HG1 THR A 475 17.269 95.909 13.533 1.00 0.00 H ATOM 1205 H THR A 475 15.478 95.132 15.639 1.00 0.00 H ATOM 1206 N PHE A 476 16.718 92.192 13.979 1.00 38.74 N ATOM 1207 CA PHE A 476 17.987 91.496 13.943 1.00 39.40 C ATOM 1208 C PHE A 476 18.454 91.179 12.526 1.00 43.08 C ATOM 1209 O PHE A 476 19.590 91.472 12.154 1.00 46.60 O ATOM 1210 CB PHE A 476 17.932 90.208 14.757 1.00 38.29 C ATOM 1211 CG PHE A 476 19.254 89.503 14.828 1.00 42.48 C ATOM 1212 CD1 PHE A 476 20.286 90.018 15.588 1.00 46.59 C ATOM 1213 CD2 PHE A 476 19.481 88.353 14.112 1.00 42.60 C ATOM 1214 CE1 PHE A 476 21.514 89.389 15.643 1.00 46.23 C ATOM 1215 CE2 PHE A 476 20.707 87.722 14.161 1.00 42.89 C ATOM 1216 CZ PHE A 476 21.720 88.234 14.928 1.00 45.56 C ATOM 1217 H PHE A 476 15.876 91.723 14.369 1.00 0.00 H ATOM 1218 N MET A 477 17.575 90.591 11.736 1.00 40.86 N ATOM 1219 CA MET A 477 17.932 90.171 10.397 1.00 40.87 C ATOM 1220 C MET A 477 16.696 90.082 9.528 1.00 44.57 C ATOM 1221 O MET A 477 15.693 89.509 9.934 1.00 44.46 O ATOM 1222 CB MET A 477 18.649 88.829 10.434 1.00 40.19 C ATOM 1223 CG MET A 477 18.765 88.158 9.076 1.00 48.58 C ATOM 1224 SD MET A 477 19.638 86.568 9.085 1.00 54.41 S ATOM 1225 CE MET A 477 20.896 86.925 7.866 1.00 58.31 C ATOM 1226 H MET A 477 16.608 90.426 12.082 1.00 0.00 H ATOM 1227 N HIS A 478 16.755 90.669 8.338 1.00 47.57 N ATOM 1228 CA HIS A 478 15.616 90.607 7.437 1.00 46.17 C ATOM 1229 C HIS A 478 15.435 89.205 6.841 1.00 47.65 C ATOM 1230 O HIS A 478 16.396 88.573 6.412 1.00 51.40 O ATOM 1231 CB HIS A 478 15.760 91.636 6.319 1.00 47.02 C ATOM 1232 CG HIS A 478 14.478 91.913 5.607 1.00 50.40 C ATOM 1233 ND1 HIS A 478 14.008 91.109 4.588 1.00 50.19 N ATOM 1234 CD2 HIS A 478 13.554 92.884 5.781 1.00 51.70 C ATOM 1235 CE1 HIS A 478 12.850 91.581 4.163 1.00 53.05 C ATOM 1236 NE2 HIS A 478 12.550 92.656 4.869 1.00 53.99 N ATOM 1237 H HIS A 478 17.618 91.174 8.050 1.00 0.00 H ATOM 1238 N LEU A 479 14.193 88.741 6.793 1.00 47.95 N ATOM 1239 CA LEU A 479 13.881 87.419 6.270 1.00 48.33 C ATOM 1240 C LEU A 479 14.413 87.225 4.859 1.00 55.06 C ATOM 1241 O LEU A 479 14.853 86.133 4.498 1.00 58.20 O ATOM 1242 CB LEU A 479 12.373 87.181 6.282 1.00 44.40 C ATOM 1243 CG LEU A 479 11.797 86.739 7.625 1.00 46.76 C ATOM 1244 CD1 LEU A 479 10.295 86.535 7.522 1.00 51.18 C ATOM 1245 CD2 LEU A 479 12.467 85.465 8.105 1.00 42.87 C ATOM 1246 H LEU A 479 13.418 89.341 7.140 1.00 0.00 H ATOM 1247 N GLU A 480 14.384 88.285 4.059 1.00 56.21 N ATOM 1248 CA GLU A 480 14.842 88.182 2.685 1.00 56.66 C ATOM 1249 C GLU A 480 16.361 87.999 2.603 1.00 59.03 C ATOM 1250 O GLU A 480 16.904 87.925 1.506 1.00 69.87 O ATOM 1251 CB GLU A 480 14.407 89.414 1.879 1.00 52.53 C ATOM 1252 H GLU A 480 14.031 89.195 4.419 1.00 0.00 H ATOM 1253 N ALA A 481 17.041 87.884 3.741 1.00 53.44 N ATOM 1254 CA ALA A 481 18.466 87.543 3.742 1.00 52.80 C ATOM 1255 C ALA A 481 18.663 86.042 3.918 1.00 56.52 C ATOM 1256 O ALA A 481 19.754 85.526 3.716 1.00 59.21 O ATOM 1257 CB ALA A 481 19.193 88.290 4.838 1.00 49.60 C ATOM 1258 H ALA A 481 16.552 88.039 4.646 1.00 0.00 H ATOM 1259 N LEU A 482 17.598 85.342 4.297 1.00 58.38 N ATOM 1260 CA LEU A 482 17.657 83.900 4.469 1.00 55.58 C ATOM 1261 C LEU A 482 17.564 83.243 3.124 1.00 60.64 C ATOM 1262 O LEU A 482 18.025 82.125 2.936 1.00 67.81 O ATOM 1263 CB LEU A 482 16.517 83.388 5.355 1.00 55.51 C ATOM 1264 CG LEU A 482 16.544 83.609 6.866 1.00 52.37 C ATOM 1265 CD1 LEU A 482 15.273 83.032 7.443 1.00 48.45 C ATOM 1266 CD2 LEU A 482 17.766 82.996 7.527 1.00 45.11 C ATOM 1267 H LEU A 482 16.701 85.838 4.475 1.00 0.00 H ATOM 1268 N ARG A 483 16.970 83.949 2.175 1.00 60.66 N ATOM 1269 CA ARG A 483 16.746 83.373 0.866 1.00 63.38 C ATOM 1270 C ARG A 483 17.958 83.614 -0.016 1.00 68.25 C ATOM 1271 O ARG A 483 17.935 83.342 -1.211 1.00 76.65 O ATOM 1272 CB ARG A 483 15.503 83.985 0.230 1.00 66.27 C ATOM 1273 CG ARG A 483 14.251 83.768 1.044 1.00 73.74 C ATOM 1274 CD ARG A 483 13.077 83.454 0.150 1.00 82.99 C ATOM 1275 NE ARG A 483 12.685 84.584 -0.690 1.00 89.73 N ATOM 1276 CZ ARG A 483 12.240 84.459 -1.940 1.00 92.98 C ATOM 1277 NH1 ARG A 483 12.155 83.254 -2.499 1.00 82.70 N ATOM 1278 NH2 ARG A 483 11.892 85.537 -2.637 1.00 94.89 N ATOM 1279 HE ARG A 483 12.758 85.541 -0.289 1.00 0.00 H ATOM 1280 HH12 ARG A 483 11.808 83.157 -3.474 1.00 0.00 H ATOM 1281 HH11 ARG A 483 12.436 82.410 -1.960 1.00 0.00 H ATOM 1282 HH22 ARG A 483 11.545 85.436 -3.612 1.00 0.00 H ATOM 1283 HH21 ARG A 483 11.967 86.481 -2.207 1.00 0.00 H ATOM 1284 H ARG A 483 16.662 84.923 2.371 1.00 0.00 H ATOM 1285 N GLN A 484 19.033 84.102 0.585 1.00 60.82 N ATOM 1286 CA GLN A 484 20.197 84.524 -0.173 1.00 60.03 C ATOM 1287 C GLN A 484 21.483 83.872 0.319 1.00 61.63 C ATOM 1288 O GLN A 484 22.573 84.198 -0.144 1.00 58.67 O ATOM 1289 CB GLN A 484 20.304 86.041 -0.132 1.00 60.78 C ATOM 1290 CG GLN A 484 19.109 86.709 -0.777 1.00 60.27 C ATOM 1291 CD GLN A 484 19.222 88.215 -0.807 1.00 63.21 C ATOM 1292 OE1 GLN A 484 20.317 88.771 -0.710 1.00 65.62 O ATOM 1293 NE2 GLN A 484 18.085 88.886 -0.933 1.00 58.55 N ATOM 1294 HE22 GLN A 484 17.184 88.372 -1.012 1.00 0.00 H ATOM 1295 HE21 GLN A 484 18.094 89.926 -0.953 1.00 0.00 H ATOM 1296 H GLN A 484 19.043 84.185 1.622 1.00 0.00 H ATOM 1297 N ARG A 485 21.350 82.993 1.301 1.00 59.20 N ATOM 1298 CA ARG A 485 22.466 82.202 1.786 1.00 54.87 C ATOM 1299 C ARG A 485 21.950 80.902 2.337 1.00 53.42 C ATOM 1300 O ARG A 485 20.771 80.778 2.635 1.00 59.37 O ATOM 1301 CB ARG A 485 23.254 82.943 2.866 1.00 51.69 C ATOM 1302 CG ARG A 485 24.254 83.835 2.275 1.00 53.64 C ATOM 1303 CD ARG A 485 25.281 84.353 3.207 1.00 57.37 C ATOM 1304 NE ARG A 485 26.160 85.200 2.404 1.00 63.38 N ATOM 1305 CZ ARG A 485 27.207 84.738 1.730 1.00 62.04 C ATOM 1306 NH1 ARG A 485 27.522 83.444 1.785 1.00 60.29 N ATOM 1307 NH2 ARG A 485 27.940 85.565 1.005 1.00 62.12 N ATOM 1308 HE ARG A 485 25.955 86.219 2.358 1.00 0.00 H ATOM 1309 HH12 ARG A 485 28.343 83.086 1.256 1.00 0.00 H ATOM 1310 HH11 ARG A 485 26.947 82.793 2.357 1.00 0.00 H ATOM 1311 HH22 ARG A 485 28.760 85.206 0.476 1.00 0.00 H ATOM 1312 HH21 ARG A 485 27.696 86.575 0.963 1.00 0.00 H ATOM 1313 H ARG A 485 20.415 82.866 1.739 1.00 0.00 H ATOM 1314 N THR A 486 22.818 79.914 2.442 1.00 53.90 N ATOM 1315 CA THR A 486 22.419 78.697 3.104 1.00 57.88 C ATOM 1316 C THR A 486 22.472 78.941 4.612 1.00 57.51 C ATOM 1317 O THR A 486 23.427 78.560 5.279 1.00 54.22 O ATOM 1318 CB THR A 486 23.293 77.501 2.713 1.00 62.79 C ATOM 1319 OG1 THR A 486 23.373 77.420 1.284 1.00 69.29 O ATOM 1320 CG2 THR A 486 22.699 76.201 3.247 1.00 60.06 C ATOM 1321 HG1 THR A 486 23.938 76.648 1.030 1.00 0.00 H ATOM 1322 H THR A 486 23.777 80.012 2.052 1.00 0.00 H ATOM 1323 N PHE A 487 21.466 79.644 5.129 1.00 57.56 N ATOM 1324 CA PHE A 487 21.306 79.787 6.569 1.00 52.65 C ATOM 1325 C PHE A 487 20.510 78.621 7.116 1.00 55.66 C ATOM 1326 O PHE A 487 20.694 78.212 8.266 1.00 58.94 O ATOM 1327 CB PHE A 487 20.590 81.071 6.937 1.00 50.03 C ATOM 1328 CG PHE A 487 21.434 82.277 6.840 1.00 46.46 C ATOM 1329 CD1 PHE A 487 21.132 83.274 5.928 1.00 49.93 C ATOM 1330 CD2 PHE A 487 22.524 82.430 7.667 1.00 46.82 C ATOM 1331 CE1 PHE A 487 21.910 84.396 5.844 1.00 45.94 C ATOM 1332 CE2 PHE A 487 23.314 83.555 7.580 1.00 49.93 C ATOM 1333 CZ PHE A 487 23.003 84.540 6.671 1.00 43.90 C ATOM 1334 H PHE A 487 20.782 80.100 4.492 1.00 0.00 H ATOM 1335 N ILE A 488 19.599 78.110 6.297 1.00 52.30 N ATOM 1336 CA ILE A 488 18.819 76.942 6.673 1.00 55.66 C ATOM 1337 C ILE A 488 19.381 75.714 5.984 1.00 55.37 C ATOM 1338 O ILE A 488 19.542 75.693 4.764 1.00 52.38 O ATOM 1339 CB ILE A 488 17.336 77.085 6.310 1.00 51.04 C ATOM 1340 CG1 ILE A 488 16.744 78.338 6.933 1.00 47.82 C ATOM 1341 CG2 ILE A 488 16.560 75.880 6.780 1.00 54.31 C ATOM 1342 CD1 ILE A 488 15.370 78.634 6.402 1.00 51.74 C ATOM 1343 H ILE A 488 19.440 78.553 5.370 1.00 0.00 H ATOM 1344 N LYS A 489 19.704 74.705 6.780 1.00 54.53 N ATOM 1345 CA LYS A 489 20.236 73.464 6.253 1.00 57.63 C ATOM 1346 C LYS A 489 19.622 72.300 6.999 1.00 65.62 C ATOM 1347 O LYS A 489 19.650 72.270 8.233 1.00 66.37 O ATOM 1348 CB LYS A 489 21.761 73.426 6.371 1.00 54.20 C ATOM 1349 CG LYS A 489 22.379 72.114 5.947 1.00 56.44 C ATOM 1350 CD LYS A 489 23.886 72.171 6.092 1.00 57.69 C ATOM 1351 CE LYS A 489 24.539 70.860 5.706 1.00 55.20 C ATOM 1352 NZ LYS A 489 26.015 70.913 5.904 1.00 60.38 N ATOM 1353 HZ1 LYS A 489 26.416 71.670 5.314 1.00 0.00 H ATOM 1354 HZ2 LYS A 489 26.223 71.105 6.905 1.00 0.00 H ATOM 1355 HZ3 LYS A 489 26.433 70.001 5.631 1.00 0.00 H ATOM 1356 H LYS A 489 19.573 74.806 7.807 1.00 0.00 H ATOM 1357 N ASP A 490 19.058 71.353 6.247 1.00 70.96 N ATOM 1358 CA ASP A 490 18.345 70.211 6.821 1.00 70.58 C ATOM 1359 C ASP A 490 17.168 70.733 7.631 1.00 63.83 C ATOM 1360 O ASP A 490 16.833 70.200 8.693 1.00 62.45 O ATOM 1361 CB ASP A 490 19.287 69.347 7.677 1.00 73.44 C ATOM 1362 CG ASP A 490 20.396 68.689 6.849 1.00 81.11 C ATOM 1363 OD1 ASP A 490 20.107 68.214 5.722 1.00 83.34 O ATOM 1364 OD2 ASP A 490 21.557 68.668 7.322 1.00 80.06 O ATOM 1365 H ASP A 490 19.128 71.429 5.212 1.00 0.00 H ATOM 1366 N ASP A 491 16.575 71.800 7.102 1.00 61.69 N ATOM 1367 CA ASP A 491 15.376 72.452 7.628 1.00 61.28 C ATOM 1368 C ASP A 491 15.640 73.083 9.014 1.00 63.18 C ATOM 1369 O ASP A 491 14.713 73.343 9.779 1.00 62.83 O ATOM 1370 CB ASP A 491 14.204 71.464 7.692 1.00 57.73 C ATOM 1371 CG ASP A 491 12.849 72.169 7.798 1.00 67.02 C ATOM 1372 OD1 ASP A 491 11.923 71.619 8.447 1.00 72.86 O ATOM 1373 OD2 ASP A 491 12.720 73.295 7.248 1.00 64.84 O ATOM 1374 H ASP A 491 16.999 72.204 6.243 1.00 0.00 H ATOM 1375 N THR A 492 16.913 73.315 9.331 1.00 61.50 N ATOM 1376 CA THR A 492 17.337 73.760 10.665 1.00 56.25 C ATOM 1377 C THR A 492 18.096 75.103 10.637 1.00 52.75 C ATOM 1378 O THR A 492 18.948 75.335 9.771 1.00 54.78 O ATOM 1379 CB THR A 492 18.231 72.708 11.338 1.00 59.42 C ATOM 1380 OG1 THR A 492 17.520 71.472 11.409 1.00 63.23 O ATOM 1381 CG2 THR A 492 18.644 73.140 12.744 1.00 54.98 C ATOM 1382 HG1 THR A 492 17.284 71.175 10.494 1.00 0.00 H ATOM 1383 H THR A 492 17.640 73.175 8.600 1.00 0.00 H ATOM 1384 N LEU A 493 17.766 75.991 11.570 1.00 46.06 N ATOM 1385 CA LEU A 493 18.482 77.249 11.722 1.00 44.27 C ATOM 1386 C LEU A 493 19.384 77.249 12.958 1.00 44.88 C ATOM 1387 O LEU A 493 18.996 76.731 14.000 1.00 48.66 O ATOM 1388 CB LEU A 493 17.480 78.394 11.781 1.00 43.17 C ATOM 1389 CG LEU A 493 18.079 79.784 11.779 1.00 44.47 C ATOM 1390 CD1 LEU A 493 18.862 79.923 10.491 1.00 52.12 C ATOM 1391 CD2 LEU A 493 17.000 80.826 11.843 1.00 40.17 C ATOM 1392 H LEU A 493 16.973 75.781 12.210 1.00 0.00 H ATOM 1393 N LEU A 494 20.581 77.827 12.844 1.00 40.28 N ATOM 1394 CA LEU A 494 21.546 77.846 13.948 1.00 37.28 C ATOM 1395 C LEU A 494 21.731 79.242 14.530 1.00 42.93 C ATOM 1396 O LEU A 494 22.195 80.161 13.853 1.00 46.55 O ATOM 1397 CB LEU A 494 22.902 77.306 13.489 1.00 42.75 C ATOM 1398 CG LEU A 494 22.849 75.853 13.013 1.00 41.16 C ATOM 1399 CD1 LEU A 494 24.233 75.300 12.742 1.00 35.77 C ATOM 1400 CD2 LEU A 494 22.130 75.030 14.070 1.00 43.89 C ATOM 1401 H LEU A 494 20.838 78.279 11.943 1.00 0.00 H ATOM 1402 N VAL A 495 21.360 79.405 15.793 1.00 44.20 N ATOM 1403 CA VAL A 495 21.513 80.683 16.466 1.00 38.62 C ATOM 1404 C VAL A 495 22.578 80.511 17.522 1.00 40.53 C ATOM 1405 O VAL A 495 22.405 79.723 18.432 1.00 44.55 O ATOM 1406 CB VAL A 495 20.218 81.142 17.117 1.00 33.44 C ATOM 1407 CG1 VAL A 495 20.402 82.500 17.721 1.00 38.77 C ATOM 1408 CG2 VAL A 495 19.128 81.192 16.100 1.00 37.50 C ATOM 1409 H VAL A 495 20.951 78.602 16.312 1.00 0.00 H ATOM 1410 N ARG A 496 23.698 81.202 17.380 1.00 44.82 N ATOM 1411 CA ARG A 496 24.792 81.051 18.328 1.00 45.92 C ATOM 1412 C ARG A 496 24.794 82.217 19.316 1.00 45.96 C ATOM 1413 O ARG A 496 24.638 83.384 18.931 1.00 44.60 O ATOM 1414 CB ARG A 496 26.123 80.968 17.580 1.00 47.89 C ATOM 1415 CG ARG A 496 27.367 80.825 18.429 1.00 43.80 C ATOM 1416 CD ARG A 496 28.589 80.694 17.499 1.00 57.87 C ATOM 1417 NE ARG A 496 29.841 80.690 18.241 1.00 66.02 N ATOM 1418 CZ ARG A 496 30.495 81.794 18.574 1.00 72.88 C ATOM 1419 NH1 ARG A 496 30.004 82.976 18.209 1.00 79.08 N ATOM 1420 NH2 ARG A 496 31.628 81.721 19.270 1.00 63.22 N ATOM 1421 HE ARG A 496 30.243 79.774 18.525 1.00 0.00 H ATOM 1422 HH12 ARG A 496 30.508 83.849 18.464 1.00 0.00 H ATOM 1423 HH11 ARG A 496 29.117 83.026 17.669 1.00 0.00 H ATOM 1424 HH22 ARG A 496 32.137 82.591 19.528 1.00 0.00 H ATOM 1425 HH21 ARG A 496 32.004 80.794 19.555 1.00 0.00 H ATOM 1426 H ARG A 496 23.797 81.861 16.581 1.00 0.00 H ATOM 1427 N CYS A 497 24.984 81.886 20.588 1.00 44.68 N ATOM 1428 CA CYS A 497 25.031 82.871 21.658 1.00 42.54 C ATOM 1429 C CYS A 497 26.335 82.674 22.414 1.00 40.85 C ATOM 1430 O CYS A 497 26.572 81.617 22.998 1.00 41.57 O ATOM 1431 CB CYS A 497 23.830 82.733 22.588 1.00 41.64 C ATOM 1432 SG CYS A 497 23.836 83.884 23.999 1.00 46.09 S ATOM 1433 H CYS A 497 25.104 80.882 20.829 1.00 0.00 H ATOM 1434 N GLU A 498 27.198 83.680 22.349 1.00 40.15 N ATOM 1435 CA GLU A 498 28.498 83.625 22.997 1.00 47.44 C ATOM 1436 C GLU A 498 28.581 84.727 24.032 1.00 49.19 C ATOM 1437 O GLU A 498 28.423 85.898 23.693 1.00 49.68 O ATOM 1438 CB GLU A 498 29.628 83.753 21.985 1.00 50.36 C ATOM 1439 CG GLU A 498 30.993 83.750 22.633 1.00 56.96 C ATOM 1440 CD GLU A 498 32.120 83.847 21.610 1.00 75.35 C ATOM 1441 OE1 GLU A 498 31.801 83.974 20.398 1.00 71.56 O ATOM 1442 OE2 GLU A 498 33.314 83.803 22.019 1.00 72.55 O ATOM 1443 H GLU A 498 26.936 84.535 21.818 1.00 0.00 H ATOM 1444 N VAL A 499 28.801 84.354 25.293 1.00 49.45 N ATOM 1445 CA VAL A 499 28.766 85.322 26.376 1.00 48.50 C ATOM 1446 C VAL A 499 30.119 85.545 27.013 1.00 51.50 C ATOM 1447 O VAL A 499 30.771 84.613 27.462 1.00 54.97 O ATOM 1448 CB VAL A 499 27.768 84.904 27.463 1.00 48.70 C ATOM 1449 CG1 VAL A 499 27.855 85.835 28.653 1.00 47.71 C ATOM 1450 CG2 VAL A 499 26.366 84.910 26.901 1.00 48.08 C ATOM 1451 H VAL A 499 29.001 83.355 25.505 1.00 0.00 H ATOM 1452 N SER A 500 30.490 86.815 27.091 1.00 57.09 N ATOM 1453 CA SER A 500 31.755 87.271 27.641 1.00 59.22 C ATOM 1454 C SER A 500 31.524 88.090 28.921 1.00 56.38 C ATOM 1455 O SER A 500 30.610 88.897 28.968 1.00 59.76 O ATOM 1456 CB SER A 500 32.487 88.105 26.587 1.00 61.73 C ATOM 1457 OG SER A 500 33.828 88.365 26.968 1.00 76.74 O ATOM 1458 HG SER A 500 34.310 87.508 27.080 1.00 0.00 H ATOM 1459 H SER A 500 29.830 87.535 26.734 1.00 0.00 H ATOM 1460 N THR A 501 32.334 87.889 29.959 1.00 63.62 N ATOM 1461 CA THR A 501 32.138 88.611 31.226 1.00 69.80 C ATOM 1462 C THR A 501 33.401 89.301 31.748 1.00 76.44 C ATOM 1463 O THR A 501 33.371 90.487 32.107 1.00 72.40 O ATOM 1464 CB THR A 501 31.637 87.672 32.342 1.00 69.43 C ATOM 1465 OG1 THR A 501 30.417 87.039 31.939 1.00 72.69 O ATOM 1466 CG2 THR A 501 31.389 88.460 33.615 1.00 74.87 C ATOM 1467 HG1 THR A 501 30.104 86.439 32.661 1.00 0.00 H ATOM 1468 H THR A 501 33.118 87.211 29.873 1.00 0.00 H TER 1469 THR A 501 HETATM 1470 N HIS A 1 20.633 99.859 13.196 1.00 0.24 N HETATM 1471 CA HIS A 1 20.049 98.915 14.150 1.00 0.06 C HETATM 1472 C HIS A 1 20.861 98.827 15.463 1.00 0.23 C HETATM 1473 O HIS A 1 22.020 98.385 15.465 1.00 -0.39 O HETATM 1474 N HIS A 1 20.247 99.258 16.569 1.00 -0.26 N HETATM 1475 CA HIS A 1 20.818 99.089 17.902 1.00 0.12 C HETATM 1476 C HIS A 1 19.919 98.258 18.819 1.00 0.20 C HETATM 1477 O HIS A 1 18.721 98.097 18.542 1.00 -0.39 O HETATM 1478 N HIS A 1 20.482 97.725 19.921 1.00 -0.25 N HETATM 1479 CA HIS A 1 19.746 96.901 20.898 1.00 0.13 C HETATM 1480 C HIS A 1 18.797 97.700 21.811 1.00 0.20 C HETATM 1481 O HIS A 1 19.006 98.889 22.007 1.00 -0.39 O HETATM 1482 N HIS A 1 17.770 97.049 22.350 1.00 -0.26 N HETATM 1483 CA HIS A 1 16.858 97.680 23.296 1.00 0.13 C HETATM 1484 C HIS A 1 16.249 96.645 24.248 1.00 0.20 C HETATM 1485 O HIS A 1 16.103 95.466 23.903 1.00 -0.39 O HETATM 1486 N HIS A 1 15.918 97.077 25.459 1.00 -0.26 N HETATM 1487 CA HIS A 1 15.165 96.232 26.371 1.00 0.13 C HETATM 1488 C HIS A 1 13.804 96.019 25.779 1.00 0.20 C HETATM 1489 O HIS A 1 13.291 96.883 25.086 1.00 -0.39 O HETATM 1490 N HIS A 1 13.199 94.884 26.080 1.00 -0.26 N HETATM 1491 CA HIS A 1 11.981 94.497 25.415 1.00 0.15 C HETATM 1492 C HIS A 1 11.266 93.438 26.222 1.00 0.21 C HETATM 1493 O HIS A 1 11.799 92.361 26.417 1.00 -0.39 O HETATM 1494 N HIS A 1 10.061 93.753 26.691 1.00 -0.26 N HETATM 1495 CA HIS A 1 9.325 92.878 27.591 1.00 0.13 C HETATM 1496 C HIS A 1 8.288 92.057 26.813 1.00 0.20 C HETATM 1497 O HIS A 1 7.803 92.492 25.773 1.00 -0.39 O HETATM 1498 N HIS A 1 7.985 90.857 27.306 1.00 -0.26 N HETATM 1499 CA HIS A 1 7.050 89.925 26.666 1.00 0.14 C HETATM 1500 C HIS A 1 6.143 89.231 27.716 1.00 0.21 C HETATM 1501 O HIS A 1 6.655 88.631 28.670 1.00 -0.39 O HETATM 1502 N HIS A 1 4.812 89.268 27.560 1.00 -0.27 N HETATM 1503 CA HIS A 1 4.110 89.736 26.365 1.00 0.09 C HETATM 1504 C HIS A 1 3.779 91.225 26.471 1.00 0.06 C HETATM 1505 O HIS A 1 3.798 91.949 25.472 1.00 -0.57 O HETATM 1506 OXT HIS A 1 3.487 91.731 27.558 1.00 -0.57 O HETATM 1507 CB HIS A 1 2.815 88.918 26.149 1.00 -0.02 C HETATM 1508 CG HIS A 1 2.959 87.392 26.275 1.00 -0.04 C HETATM 1509 CD HIS A 1 1.741 86.756 26.961 1.00 -0.01 C HETATM 1510 CE HIS A 1 1.429 85.344 26.429 1.00 -0.04 C HETATM 1511 NZ HIS A 1 1.271 85.251 24.936 1.00 0.22 N HETATM 1512 H60 HIS A 1 1.070 84.297 24.678 1.00 0.20 H HETATM 1513 H61 HIS A 1 2.124 85.547 24.489 1.00 0.20 H HETATM 1514 H62 HIS A 1 0.513 85.846 24.641 1.00 0.20 H HETATM 1515 H58 HIS A 1 0.492 85.003 26.894 1.00 0.08 H HETATM 1516 H59 HIS A 1 2.251 84.677 26.728 1.00 0.08 H HETATM 1517 H56 HIS A 1 0.865 87.398 26.789 1.00 0.03 H HETATM 1518 H57 HIS A 1 1.940 86.689 28.041 1.00 0.03 H HETATM 1519 H54 HIS A 1 3.858 87.167 26.867 1.00 0.03 H HETATM 1520 H55 HIS A 1 3.066 86.961 25.269 1.00 0.03 H HETATM 1521 H52 HIS A 1 2.440 89.139 25.139 1.00 0.03 H HETATM 1522 H53 HIS A 1 2.078 89.250 26.895 1.00 0.03 H HETATM 1523 H51 HIS A 1 4.767 89.587 25.496 1.00 0.07 H HETATM 1524 H50 HIS A 1 4.252 88.949 28.325 1.00 0.19 H HETATM 1525 CB HIS A 1 7.855 88.897 25.869 1.00 0.02 C HETATM 1526 CG HIS A 1 7.059 87.766 25.273 1.00 -0.05 C HETATM 1527 CD1 HIS A 1 7.087 86.493 25.851 1.00 -0.07 C HETATM 1528 CE1 HIS A 1 6.359 85.428 25.304 1.00 -0.04 C HETATM 1529 CZ HIS A 1 5.589 85.632 24.162 1.00 0.08 C HETATM 1530 CE2 HIS A 1 5.551 86.898 23.573 1.00 -0.04 C HETATM 1531 CD2 HIS A 1 6.288 87.953 24.131 1.00 -0.07 C HETATM 1532 H46 HIS A 1 6.256 88.931 23.664 1.00 0.05 H HETATM 1533 H48 HIS A 1 4.952 87.065 22.685 1.00 0.05 H HETATM 1534 OH HIS A 1 4.863 84.578 23.618 1.00 -0.34 O HETATM 1535 H49 HIS A 1 5.002 83.796 24.140 1.00 0.25 H HETATM 1536 H47 HIS A 1 6.395 84.449 25.768 1.00 0.05 H HETATM 1537 H45 HIS A 1 7.684 86.327 26.740 1.00 0.05 H HETATM 1538 H43 HIS A 1 8.609 88.462 26.542 1.00 0.05 H HETATM 1539 H44 HIS A 1 8.359 89.426 25.047 1.00 0.05 H HETATM 1540 H42 HIS A 1 6.408 90.488 25.973 1.00 0.08 H HETATM 1541 H41 HIS A 1 8.420 90.575 28.161 1.00 0.19 H HETATM 1542 CB HIS A 1 8.678 93.704 28.726 1.00 -0.00 C HETATM 1543 CG HIS A 1 7.769 92.866 29.632 1.00 0.00 C HETATM 1544 CD HIS A 1 7.468 93.516 30.968 1.00 0.04 C HETATM 1545 OE1 HIS A 1 8.125 94.528 31.289 1.00 -0.57 O HETATM 1546 OE2 HIS A 1 6.597 92.989 31.710 1.00 -0.57 O HETATM 1547 H39 HIS A 1 8.261 91.900 29.820 1.00 0.04 H HETATM 1548 H40 HIS A 1 6.817 92.696 29.107 1.00 0.04 H HETATM 1549 H37 HIS A 1 8.079 94.509 28.276 1.00 0.03 H HETATM 1550 H38 HIS A 1 9.478 94.142 29.341 1.00 0.03 H HETATM 1551 H36 HIS A 1 10.038 92.176 28.048 1.00 0.08 H HETATM 1552 H35 HIS A 1 9.647 94.621 26.416 1.00 0.19 H HETATM 1553 CB HIS A 1 12.313 93.985 24.023 1.00 0.08 C HETATM 1554 CG HIS A 1 11.100 93.826 23.155 1.00 0.18 C HETATM 1555 OD1 HIS A 1 10.379 92.821 23.235 1.00 -0.40 O HETATM 1556 ND2 HIS A 1 10.883 94.799 22.281 1.00 -0.30 N HETATM 1557 H33 HIS A 1 10.092 94.756 21.671 1.00 0.18 H HETATM 1558 H34 HIS A 1 11.511 95.576 22.232 1.00 0.18 H HETATM 1559 H31 HIS A 1 12.808 93.007 24.117 1.00 0.06 H HETATM 1560 H32 HIS A 1 12.998 94.698 23.541 1.00 0.06 H HETATM 1561 H30 HIS A 1 11.325 95.376 25.325 1.00 0.08 H HETATM 1562 H29 HIS A 1 13.591 94.286 26.779 1.00 0.19 H HETATM 1563 CB HIS A 1 15.029 96.858 27.746 1.00 -0.00 C HETATM 1564 CG HIS A 1 16.081 96.434 28.731 1.00 0.00 C HETATM 1565 CD HIS A 1 15.878 97.090 30.095 1.00 0.04 C HETATM 1566 OE1 HIS A 1 15.071 98.054 30.173 1.00 -0.57 O HETATM 1567 OE2 HIS A 1 16.521 96.650 31.084 1.00 -0.57 O HETATM 1568 H27 HIS A 1 17.069 96.720 28.342 1.00 0.04 H HETATM 1569 H28 HIS A 1 16.037 95.341 28.851 1.00 0.04 H HETATM 1570 H25 HIS A 1 14.046 96.581 28.154 1.00 0.03 H HETATM 1571 H26 HIS A 1 15.085 97.951 27.633 1.00 0.03 H HETATM 1572 H24 HIS A 1 15.679 95.265 26.472 1.00 0.08 H HETATM 1573 H23 HIS A 1 16.190 97.995 25.747 1.00 0.19 H HETATM 1574 CB HIS A 1 15.755 98.418 22.555 1.00 -0.02 C HETATM 1575 H20 HIS A 1 15.076 98.888 23.282 1.00 0.03 H HETATM 1576 H21 HIS A 1 15.191 97.707 21.933 1.00 0.03 H HETATM 1577 H22 HIS A 1 16.199 99.193 21.914 1.00 0.03 H HETATM 1578 H19 HIS A 1 17.427 98.408 23.892 1.00 0.08 H HETATM 1579 H18 HIS A 1 17.618 96.093 22.098 1.00 0.19 H HETATM 1580 CB HIS A 1 20.869 96.255 21.726 1.00 -0.01 C HETATM 1581 CG HIS A 1 21.966 97.194 21.639 1.00 -0.03 C HETATM 1582 CD HIS A 1 21.901 97.841 20.277 1.00 0.04 C HETATM 1583 H16 HIS A 1 22.211 98.895 20.326 1.00 0.05 H HETATM 1584 H17 HIS A 1 22.535 97.305 19.555 1.00 0.05 H HETATM 1585 H14 HIS A 1 22.923 96.666 21.759 1.00 0.03 H HETATM 1586 H15 HIS A 1 21.869 97.959 22.423 1.00 0.03 H HETATM 1587 H12 HIS A 1 21.155 95.282 21.301 1.00 0.03 H HETATM 1588 H13 HIS A 1 20.554 96.120 22.771 1.00 0.03 H HETATM 1589 H11 HIS A 1 19.160 96.133 20.373 1.00 0.08 H HETATM 1590 H9 HIS A 1 20.962 100.082 18.353 1.00 0.08 H HETATM 1591 H10 HIS A 1 21.791 98.584 17.808 1.00 0.08 H HETATM 1592 H8 HIS A 1 19.362 99.714 16.480 1.00 0.19 H HETATM 1593 CB HIS A 1 19.918 97.522 13.508 1.00 -0.00 C HETATM 1594 H5 HIS A 1 19.478 96.823 14.235 1.00 0.03 H HETATM 1595 H6 HIS A 1 20.913 97.161 13.208 1.00 0.03 H HETATM 1596 H7 HIS A 1 19.269 97.586 12.622 1.00 0.03 H HETATM 1597 H4 HIS A 1 19.040 99.273 14.402 1.00 0.11 H HETATM 1598 H1 HIS A 1 20.071 99.882 12.359 1.00 0.20 H HETATM 1599 H2 HIS A 1 21.569 99.566 12.964 1.00 0.20 H HETATM 1600 H3 HIS A 1 20.660 100.779 13.607 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1470 1471 1598 1599 1600 CONECT 1471 1470 1472 1593 1597 CONECT 1472 1471 1473 1474 CONECT 1473 1472 CONECT 1474 1472 1475 1592 CONECT 1475 1474 1476 1590 1591 CONECT 1476 1475 1477 1478 CONECT 1477 1476 CONECT 1478 1476 1479 1582 CONECT 1479 1478 1480 1580 1589 CONECT 1480 1479 1481 1482 CONECT 1481 1480 CONECT 1482 1480 1483 1579 CONECT 1483 1482 1484 1574 1578 CONECT 1484 1483 1485 1486 CONECT 1485 1484 CONECT 1486 1484 1487 1573 CONECT 1487 1486 1488 1563 1572 CONECT 1488 1487 1489 1490 CONECT 1489 1488 CONECT 1490 1488 1491 1562 CONECT 1491 1490 1492 1553 1561 CONECT 1492 1491 1493 1494 CONECT 1493 1492 CONECT 1494 1492 1495 1552 CONECT 1495 1494 1496 1542 1551 CONECT 1496 1495 1497 1498 CONECT 1497 1496 CONECT 1498 1496 1499 1541 CONECT 1499 1498 1500 1525 1540 CONECT 1500 1499 1501 1502 CONECT 1501 1500 CONECT 1502 1500 1503 1524 CONECT 1503 1502 1504 1507 1523 CONECT 1504 1503 1505 1506 CONECT 1505 1504 CONECT 1506 1504 CONECT 1507 1503 1508 1521 1522 CONECT 1508 1507 1509 1519 1520 CONECT 1509 1508 1510 1517 1518 CONECT 1510 1509 1511 1515 1516 CONECT 1511 1510 1512 1513 1514 CONECT 1512 1511 CONECT 1513 1511 CONECT 1514 1511 CONECT 1515 1510 CONECT 1516 1510 CONECT 1517 1509 CONECT 1518 1509 CONECT 1519 1508 CONECT 1520 1508 CONECT 1521 1507 CONECT 1522 1507 CONECT 1523 1503 CONECT 1524 1502 CONECT 1525 1499 1526 1538 1539 CONECT 1526 1525 1527 1531 CONECT 1527 1526 1528 1537 CONECT 1528 1527 1529 1536 CONECT 1529 1528 1530 1534 CONECT 1530 1529 1531 1533 CONECT 1531 1526 1530 1532 CONECT 1532 1531 CONECT 1533 1530 CONECT 1534 1529 1535 CONECT 1535 1534 CONECT 1536 1528 CONECT 1537 1527 CONECT 1538 1525 CONECT 1539 1525 CONECT 1540 1499 CONECT 1541 1498 CONECT 1542 1495 1543 1549 1550 CONECT 1543 1542 1544 1547 1548 CONECT 1544 1543 1545 1546 CONECT 1545 1544 CONECT 1546 1544 CONECT 1547 1543 CONECT 1548 1543 CONECT 1549 1542 CONECT 1550 1542 CONECT 1551 1495 CONECT 1552 1494 CONECT 1553 1491 1554 1559 1560 CONECT 1554 1553 1555 1556 CONECT 1555 1554 CONECT 1556 1554 1557 1558 CONECT 1557 1556 CONECT 1558 1556 CONECT 1559 1553 CONECT 1560 1553 CONECT 1561 1491 CONECT 1562 1490 CONECT 1563 1487 1564 1570 1571 CONECT 1564 1563 1565 1568 1569 CONECT 1565 1564 1566 1567 CONECT 1566 1565 CONECT 1567 1565 CONECT 1568 1564 CONECT 1569 1564 CONECT 1570 1563 CONECT 1571 1563 CONECT 1572 1487 CONECT 1573 1486 CONECT 1574 1483 1575 1576 1577 CONECT 1575 1574 CONECT 1576 1574 CONECT 1577 1574 CONECT 1578 1483 CONECT 1579 1482 CONECT 1580 1479 1581 1587 1588 CONECT 1581 1580 1582 1585 1586 CONECT 1582 1478 1581 1583 1584 CONECT 1583 1582 CONECT 1584 1582 CONECT 1585 1581 CONECT 1586 1581 CONECT 1587 1580 CONECT 1588 1580 CONECT 1589 1479 CONECT 1590 1475 CONECT 1591 1475 CONECT 1592 1474 CONECT 1593 1471 1594 1595 1596 CONECT 1594 1593 CONECT 1595 1593 CONECT 1596 1593 CONECT 1597 1471 CONECT 1598 1470 CONECT 1599 1470 CONECT 1600 1470 MASTER 0 0 0 0 0 0 0 0 1599 1 135 12 END
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19-mer
5v2q
RCSB PDB
PDBbind
19-mer
5ybe
RCSB PDB
PDBbind
19-mer
6bvb
RCSB PDB
PDBbind
19-mer
6fkq
RCSB PDB
PDBbind
19-mer
6mil
RCSB PDB
PDBbind
19-mer
6r8i
RCSB PDB
PDBbind
19-mer
6oie
RCSB PDB
PDBbind
19-mer
6h8c
RCSB PDB
PDBbind
19-mer
5v5o
RCSB PDB
PDBbind
19-mer
5j7j
RCSB PDB
PDBbind
19-mer
Entry Information
PDB ID
4z8m
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
TNF receptor-associated factor 6
Ligand Name
19-mer
EC.Number
E.C.6.3.2.-
Resolution
2.95(Å)
Affinity (Kd/Ki/IC50)
Kd=36nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Biol.Chem. Vol. 290: pp. 26811-26820
Ligand Properties
Formula
C
4
2
H
6
5
N
1
1
O
1
6
Molecular Weight
980.030
Exact Mass
979.461
No. of atoms
134
No. of bonds
135
Polar Surface Area
454.51
LOGP Value
-5.18 (
Computed with XLOGP3
)
-2.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]([NH3+])C)C)CCC(=O)O)CC(=O)N)CCC(=O)O)Cc1ccc(cc1)O
InChI String
InChI=1S/C42H63N11O16/c1-21(44)35(61)46-20-32(56)53-17-5-7-30(53)41(67)47-22(2)36(62)48-25(12-14-33(57)58)37(63)52-29(19-31(45)55)40(66)49-26(13-15-34(59)60)38(64)51-28(18-23-8-10-24(54)11-9-23)39(65)50-27(42(68)69)6-3-4-16-43/h8-11,21-22,25-30,54H,3-7,12-20,43-44H2,1-2H3,(H2,45,55)(H,46,61)(H,47,67)(H,48,62)(H,49,66)(H,50,65)(H,51,64)(H,52,63)(H,57,58)(H,59,60)(H,68,69)/p+2/t21-,22-,25-,26-,27-,28-,29-,30-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q7Z434
Q9Y4K3
Entrez Gene ID
NCBI Entrez Gene ID:
57506
7189
ASD
Information of known allosteric effects of PDB entries
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