Browse entries in the PDBbind-CN Database
HEADER 5DMS_COMPLEX COMPND 5DMS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 226 GLU ALA ILE GLU CYS HIS LEU SER ASP LEU LEU GLN GLN SEQRES 2 A 226 LEU THR SER VAL ASN ALA SER LYS PRO SER GLU ARG GLY SEQRES 3 A 226 LEU VAL ARG GLN GLU GLU ALA GLU ASP PRO ALA CYS ILE SEQRES 4 A 226 PRO ILE PHE TRP VAL SER LYS TRP VAL ASP TYR SER ASP SEQRES 5 A 226 LYS TYR GLY LEU GLY TYR GLN LEU CYS ASP ASN SER VAL SEQRES 6 A 226 GLY VAL LEU PHE ASN ASP SER THR ARG LEU ILE LEU TYR SEQRES 7 A 226 ASN ASP GLY ASP SER LEU GLN TYR ILE GLU ARG ASP GLY SEQRES 8 A 226 THR GLU SER TYR LEU THR VAL SER SER HIS PRO ASN SER SEQRES 9 A 226 LEU MET LYS LYS ILE THR LEU LEU ASN TYR PHE ARG ASN SEQRES 10 A 226 TYR MET SER GLU HIS LEU LEU LYS ALA GLY ALA ASN ILE SEQRES 11 A 226 THR PRO ARG GLU GLY ASP GLU LEU ALA ARG LEU PRO TYR SEQRES 12 A 226 LEU ARG THR TRP PHE ARG THR ARG SER ALA ILE ILE LEU SEQRES 13 A 226 HIS LEU SER ASN GLY THR VAL GLN ILE ASN PHE PHE GLN SEQRES 14 A 226 ASP HIS THR LYS LEU ILE LEU CYS PRO LEU MET ALA ALA SEQRES 15 A 226 VAL THR TYR ILE ASN GLU LYS ARG ASP PHE GLN THR TYR SEQRES 16 A 226 ARG LEU SER LEU LEU GLU GLU TYR GLY CYS CYS LYS GLU SEQRES 17 A 226 LEU ALA SER ARG LEU ARG TYR ALA ARG THR MET VAL ASP SEQRES 18 A 226 LYS LEU LEU SER SER HET LYS A 340 86 ATOM 1 N GLU A 368 -55.505 25.700 79.001 1.00 67.48 N ATOM 2 CA GLU A 368 -55.602 25.534 80.447 1.00 65.59 C ATOM 3 C GLU A 368 -54.174 25.478 81.013 1.00 63.87 C ATOM 4 O GLU A 368 -53.220 25.875 80.335 1.00 63.15 O ATOM 5 CB GLU A 368 -56.403 24.263 80.792 1.00 63.69 C ATOM 6 CG GLU A 368 -56.731 24.056 82.280 1.00 70.26 C ATOM 7 CD GLU A 368 -57.470 22.760 82.555 1.00 72.85 C ATOM 8 OE1 GLU A 368 -57.699 21.997 81.587 1.00 71.43 O ATOM 9 OE2 GLU A 368 -57.822 22.510 83.734 1.00 67.21 O ATOM 10 HN3 GLU A 368 -54.987 24.895 78.595 1.00 0.00 H ATOM 11 HN2 GLU A 368 -54.998 26.583 78.788 1.00 0.00 H ATOM 12 HN1 GLU A 368 -56.461 25.741 78.593 1.00 0.00 H ATOM 13 N ALA A 369 -54.031 25.010 82.251 1.00 62.20 N ATOM 14 CA ALA A 369 -52.731 24.723 82.843 1.00 61.12 C ATOM 15 C ALA A 369 -52.088 23.510 82.172 1.00 62.14 C ATOM 16 O ALA A 369 -50.867 23.326 82.229 1.00 56.88 O ATOM 17 CB ALA A 369 -52.866 24.488 84.330 1.00 59.95 C ATOM 18 H ALA A 369 -54.885 24.842 82.821 1.00 0.00 H ATOM 19 N ILE A 370 -52.923 22.683 81.546 1.00 59.66 N ATOM 20 CA ILE A 370 -52.446 21.524 80.796 1.00 60.42 C ATOM 21 C ILE A 370 -51.601 21.961 79.602 1.00 59.01 C ATOM 22 O ILE A 370 -50.459 21.517 79.439 1.00 58.69 O ATOM 23 CB ILE A 370 -53.611 20.655 80.293 1.00 61.24 C ATOM 24 CG1 ILE A 370 -54.161 19.786 81.430 1.00 55.84 C ATOM 25 CG2 ILE A 370 -53.129 19.771 79.162 1.00 58.16 C ATOM 26 CD1 ILE A 370 -55.578 19.296 81.203 1.00 53.22 C ATOM 27 H ILE A 370 -53.945 22.868 81.592 1.00 0.00 H ATOM 28 N GLU A 371 -52.178 22.830 78.775 1.00 58.33 N ATOM 29 CA GLU A 371 -51.477 23.424 77.646 1.00 56.65 C ATOM 30 C GLU A 371 -50.188 24.066 78.146 1.00 55.48 C ATOM 31 O GLU A 371 -49.134 23.982 77.507 1.00 48.10 O ATOM 32 CB GLU A 371 -52.364 24.470 76.971 1.00 60.73 C ATOM 33 CG GLU A 371 -53.717 23.942 76.522 1.00 64.34 C ATOM 34 CD GLU A 371 -54.415 24.875 75.554 1.00 72.96 C ATOM 35 OE1 GLU A 371 -53.748 25.433 74.655 1.00 69.83 O ATOM 36 OE2 GLU A 371 -55.633 25.084 75.726 1.00 77.68 O ATOM 37 H GLU A 371 -53.170 23.095 78.942 1.00 0.00 H ATOM 38 N CYS A 372 -50.301 24.720 79.302 1.00 56.21 N ATOM 39 CA CYS A 372 -49.188 25.391 79.962 1.00 56.00 C ATOM 40 C CYS A 372 -48.071 24.406 80.307 1.00 52.67 C ATOM 41 O CYS A 372 -46.901 24.705 80.088 1.00 52.13 O ATOM 42 CB CYS A 372 -49.681 26.114 81.227 1.00 60.79 C ATOM 43 SG CYS A 372 -48.409 26.918 82.238 1.00 75.36 S ATOM 44 H CYS A 372 -51.235 24.753 79.758 1.00 0.00 H ATOM 45 N HIS A 373 -48.432 23.233 80.827 1.00 53.50 N ATOM 46 CA HIS A 373 -47.440 22.235 81.227 1.00 46.86 C ATOM 47 C HIS A 373 -46.773 21.584 80.025 1.00 46.42 C ATOM 48 O HIS A 373 -45.655 21.089 80.130 1.00 44.70 O ATOM 49 CB HIS A 373 -48.069 21.153 82.105 1.00 43.10 C ATOM 50 CG HIS A 373 -48.420 21.623 83.481 1.00 48.97 C ATOM 51 ND1 HIS A 373 -47.914 22.786 84.022 1.00 51.48 N ATOM 52 CD2 HIS A 373 -49.245 21.100 84.419 1.00 50.24 C ATOM 53 CE1 HIS A 373 -48.402 22.952 85.239 1.00 56.50 C ATOM 54 NE2 HIS A 373 -49.214 21.944 85.504 1.00 54.12 N ATOM 55 H HIS A 373 -49.443 23.022 80.951 1.00 0.00 H ATOM 56 N LEU A 374 -47.456 21.572 78.885 1.00 42.43 N ATOM 57 CA LEU A 374 -46.845 21.034 77.674 1.00 41.61 C ATOM 58 C LEU A 374 -45.771 21.989 77.160 1.00 43.53 C ATOM 59 O LEU A 374 -44.731 21.553 76.660 1.00 41.02 O ATOM 60 CB LEU A 374 -47.890 20.778 76.587 1.00 45.10 C ATOM 61 CG LEU A 374 -48.514 19.381 76.504 1.00 43.89 C ATOM 62 CD1 LEU A 374 -49.480 19.300 75.322 1.00 38.09 C ATOM 63 CD2 LEU A 374 -47.457 18.293 76.414 1.00 39.79 C ATOM 64 H LEU A 374 -48.426 21.946 78.856 1.00 0.00 H ATOM 65 N SER A 375 -46.023 23.291 77.288 1.00 40.38 N ATOM 66 CA SER A 375 -45.061 24.301 76.852 1.00 45.70 C ATOM 67 C SER A 375 -43.803 24.258 77.716 1.00 40.68 C ATOM 68 O SER A 375 -42.690 24.415 77.213 1.00 41.94 O ATOM 69 CB SER A 375 -45.680 25.699 76.899 1.00 42.72 C ATOM 70 OG SER A 375 -46.599 25.882 75.842 1.00 53.94 O ATOM 71 HG SER A 375 -46.984 26.792 75.895 1.00 0.00 H ATOM 72 H SER A 375 -46.925 23.595 77.708 1.00 0.00 H ATOM 73 N ASP A 376 -44.003 24.042 79.014 1.00 41.66 N ATOM 74 CA ASP A 376 -42.905 23.963 79.977 1.00 41.13 C ATOM 75 C ASP A 376 -42.033 22.734 79.740 1.00 39.87 C ATOM 76 O ASP A 376 -40.803 22.840 79.733 1.00 37.13 O ATOM 77 CB ASP A 376 -43.447 23.955 81.406 1.00 42.44 C ATOM 78 CG ASP A 376 -44.106 25.271 81.784 1.00 52.17 C ATOM 79 OD1 ASP A 376 -43.688 26.324 81.250 1.00 55.22 O ATOM 80 OD2 ASP A 376 -45.049 25.251 82.602 1.00 54.96 O ATOM 81 H ASP A 376 -44.978 23.925 79.357 1.00 0.00 H ATOM 82 N LEU A 377 -42.661 21.570 79.557 1.00 35.58 N ATOM 83 CA LEU A 377 -41.914 20.363 79.194 1.00 38.16 C ATOM 84 C LEU A 377 -41.089 20.549 77.927 1.00 35.57 C ATOM 85 O LEU A 377 -39.916 20.159 77.870 1.00 36.83 O ATOM 86 CB LEU A 377 -42.836 19.164 78.985 1.00 36.02 C ATOM 87 CG LEU A 377 -42.654 17.960 79.911 1.00 42.68 C ATOM 88 CD1 LEU A 377 -43.317 16.751 79.273 1.00 32.31 C ATOM 89 CD2 LEU A 377 -41.190 17.667 80.248 1.00 32.24 C ATOM 90 H LEU A 377 -43.693 21.519 79.674 1.00 0.00 H ATOM 91 N LEU A 378 -41.716 21.117 76.905 1.00 34.96 N ATOM 92 CA LEU A 378 -41.042 21.340 75.636 1.00 39.65 C ATOM 93 C LEU A 378 -39.805 22.222 75.804 1.00 36.08 C ATOM 94 O LEU A 378 -38.740 21.918 75.273 1.00 34.80 O ATOM 95 CB LEU A 378 -42.010 21.961 74.622 1.00 41.06 C ATOM 96 CG LEU A 378 -41.453 22.060 73.201 1.00 41.76 C ATOM 97 CD1 LEU A 378 -41.066 20.685 72.666 1.00 41.54 C ATOM 98 CD2 LEU A 378 -42.457 22.739 72.273 1.00 41.42 C ATOM 99 H LEU A 378 -42.708 21.408 77.014 1.00 0.00 H ATOM 100 N GLN A 379 -39.956 23.308 76.555 1.00 40.22 N ATOM 101 CA GLN A 379 -38.854 24.228 76.811 1.00 38.87 C ATOM 102 C GLN A 379 -37.724 23.530 77.563 1.00 38.21 C ATOM 103 O GLN A 379 -36.553 23.690 77.223 1.00 37.41 O ATOM 104 CB GLN A 379 -39.346 25.444 77.602 1.00 43.60 C ATOM 105 CG GLN A 379 -38.234 26.298 78.208 1.00 52.20 C ATOM 106 H GLN A 379 -40.887 23.508 76.972 1.00 0.00 H ATOM 107 N GLN A 380 -38.097 22.754 78.580 1.00 36.94 N ATOM 108 CA GLN A 380 -37.142 22.006 79.388 1.00 37.86 C ATOM 109 C GLN A 380 -36.361 21.010 78.537 1.00 35.48 C ATOM 110 O GLN A 380 -35.142 20.926 78.648 1.00 35.09 O ATOM 111 CB GLN A 380 -37.856 21.277 80.540 1.00 36.04 C ATOM 112 CG GLN A 380 -38.351 22.205 81.660 1.00 35.90 C ATOM 113 CD GLN A 380 -39.510 21.625 82.465 1.00 38.28 C ATOM 114 OE1 GLN A 380 -39.767 20.420 82.433 1.00 37.90 O ATOM 115 NE2 GLN A 380 -40.214 22.487 83.199 1.00 34.53 N ATOM 116 HE22 GLN A 380 -39.964 23.496 83.198 1.00 0.00 H ATOM 117 HE21 GLN A 380 -41.013 22.150 83.773 1.00 0.00 H ATOM 118 H GLN A 380 -39.109 22.679 78.806 1.00 0.00 H ATOM 119 N LEU A 381 -37.059 20.261 77.688 1.00 30.67 N ATOM 120 CA LEU A 381 -36.393 19.303 76.797 1.00 39.21 C ATOM 121 C LEU A 381 -35.506 19.996 75.758 1.00 37.03 C ATOM 122 O LEU A 381 -34.397 19.536 75.459 1.00 32.97 O ATOM 123 CB LEU A 381 -37.422 18.418 76.083 1.00 32.84 C ATOM 124 CG LEU A 381 -38.121 17.394 76.980 1.00 36.64 C ATOM 125 CD1 LEU A 381 -39.254 16.710 76.230 1.00 36.26 C ATOM 126 CD2 LEU A 381 -37.124 16.373 77.494 1.00 31.97 C ATOM 127 H LEU A 381 -38.094 20.356 77.655 1.00 0.00 H ATOM 128 N THR A 382 -36.005 21.099 75.208 1.00 35.50 N ATOM 129 CA THR A 382 -35.248 21.863 74.222 1.00 36.95 C ATOM 130 C THR A 382 -33.930 22.346 74.827 1.00 36.59 C ATOM 131 O THR A 382 -32.872 22.263 74.196 1.00 37.75 O ATOM 132 CB THR A 382 -36.051 23.068 73.711 1.00 38.98 C ATOM 133 OG1 THR A 382 -37.254 22.609 73.078 1.00 38.03 O ATOM 134 CG2 THR A 382 -35.224 23.881 72.715 1.00 36.11 C ATOM 135 HG1 THR A 382 -37.798 22.104 73.733 1.00 0.00 H ATOM 136 H THR A 382 -36.953 21.423 75.486 1.00 0.00 H ATOM 137 N SER A 383 -34.001 22.837 76.060 1.00 35.52 N ATOM 138 CA SER A 383 -32.813 23.328 76.761 1.00 38.70 C ATOM 139 C SER A 383 -31.798 22.216 76.986 1.00 38.34 C ATOM 140 O SER A 383 -30.595 22.386 76.731 1.00 38.91 O ATOM 141 CB SER A 383 -33.207 23.954 78.099 1.00 38.22 C ATOM 142 OG SER A 383 -32.095 24.562 78.720 1.00 44.37 O ATOM 143 HG SER A 383 -31.395 23.881 78.882 1.00 0.00 H ATOM 144 H SER A 383 -34.923 22.873 76.539 1.00 0.00 H ATOM 145 N VAL A 384 -32.280 21.077 77.474 1.00 35.79 N ATOM 146 CA VAL A 384 -31.403 19.939 77.744 1.00 37.88 C ATOM 147 C VAL A 384 -30.719 19.452 76.469 1.00 32.93 C ATOM 148 O VAL A 384 -29.490 19.285 76.421 1.00 30.70 O ATOM 149 CB VAL A 384 -32.185 18.780 78.388 1.00 37.15 C ATOM 150 CG1 VAL A 384 -31.345 17.514 78.400 1.00 38.24 C ATOM 151 CG2 VAL A 384 -32.591 19.159 79.800 1.00 40.23 C ATOM 152 H VAL A 384 -33.299 20.994 77.667 1.00 0.00 H ATOM 153 N ASN A 385 -31.518 19.253 75.427 1.00 34.51 N ATOM 154 CA ASN A 385 -30.995 18.751 74.161 1.00 30.85 C ATOM 155 C ASN A 385 -30.059 19.739 73.482 1.00 29.86 C ATOM 156 O ASN A 385 -29.081 19.335 72.868 1.00 34.49 O ATOM 157 CB ASN A 385 -32.154 18.372 73.231 1.00 28.95 C ATOM 158 CG ASN A 385 -32.897 17.154 73.731 1.00 34.20 C ATOM 159 OD1 ASN A 385 -32.382 16.412 74.579 1.00 32.41 O ATOM 160 ND2 ASN A 385 -34.118 16.951 73.240 1.00 31.68 N ATOM 161 HD22 ASN A 385 -34.507 17.602 72.529 1.00 0.00 H ATOM 162 HD21 ASN A 385 -34.682 16.141 73.568 1.00 0.00 H ATOM 163 H ASN A 385 -32.534 19.459 75.515 1.00 0.00 H ATOM 164 N ALA A 386 -30.348 21.030 73.610 1.00 33.16 N ATOM 165 CA ALA A 386 -29.500 22.066 73.023 1.00 37.40 C ATOM 166 C ALA A 386 -28.096 22.042 73.625 1.00 38.49 C ATOM 167 O ALA A 386 -27.121 22.444 72.986 1.00 40.54 O ATOM 168 CB ALA A 386 -30.131 23.439 73.213 1.00 41.02 C ATOM 169 H ALA A 386 -31.198 21.310 74.140 1.00 0.00 H ATOM 170 N SER A 387 -27.997 21.550 74.852 1.00 36.84 N ATOM 171 CA SER A 387 -26.729 21.514 75.562 1.00 37.33 C ATOM 172 C SER A 387 -25.883 20.327 75.117 1.00 41.33 C ATOM 173 O SER A 387 -24.732 20.187 75.539 1.00 37.88 O ATOM 174 CB SER A 387 -26.968 21.454 77.069 1.00 36.18 C ATOM 175 OG SER A 387 -27.315 20.143 77.462 1.00 35.81 O ATOM 176 HG SER A 387 -28.142 19.867 76.993 1.00 0.00 H ATOM 177 H SER A 387 -28.849 21.180 75.319 1.00 0.00 H ATOM 178 N LYS A 388 -26.454 19.490 74.251 1.00 38.28 N ATOM 179 CA LYS A 388 -25.778 18.282 73.758 1.00 37.93 C ATOM 180 C LYS A 388 -25.128 17.496 74.897 1.00 36.40 C ATOM 181 O LYS A 388 -23.903 17.387 74.962 1.00 35.49 O ATOM 182 CB LYS A 388 -24.735 18.646 72.697 1.00 42.85 C ATOM 183 CG LYS A 388 -25.343 19.294 71.451 1.00 43.27 C ATOM 184 CD LYS A 388 -24.265 19.816 70.515 1.00 50.84 C ATOM 185 CE LYS A 388 -24.845 20.222 69.170 1.00 52.80 C ATOM 186 NZ LYS A 388 -23.778 20.678 68.239 1.00 58.83 N ATOM 187 HZ1 LYS A 388 -23.288 21.498 68.650 1.00 0.00 H ATOM 188 HZ2 LYS A 388 -23.098 19.906 68.088 1.00 0.00 H ATOM 189 HZ3 LYS A 388 -24.205 20.948 67.330 1.00 0.00 H ATOM 190 H LYS A 388 -27.414 19.700 73.911 1.00 0.00 H ATOM 191 N PRO A 389 -25.964 16.943 75.793 1.00 35.17 N ATOM 192 CA PRO A 389 -25.544 16.310 77.048 1.00 34.10 C ATOM 193 C PRO A 389 -24.603 15.126 76.879 1.00 37.58 C ATOM 194 O PRO A 389 -23.832 14.844 77.791 1.00 34.78 O ATOM 195 CB PRO A 389 -26.864 15.844 77.655 1.00 35.69 C ATOM 196 CG PRO A 389 -27.779 15.676 76.468 1.00 32.86 C ATOM 197 CD PRO A 389 -27.418 16.811 75.577 1.00 31.24 C ATOM 198 N SER A 390 -24.654 14.434 75.747 1.00 32.59 N ATOM 199 CA SER A 390 -23.836 13.236 75.616 1.00 34.44 C ATOM 200 C SER A 390 -22.449 13.580 75.079 1.00 38.45 C ATOM 201 O SER A 390 -21.597 12.704 74.943 1.00 37.60 O ATOM 202 CB SER A 390 -24.518 12.205 74.718 1.00 35.20 C ATOM 203 OG SER A 390 -24.579 12.662 73.377 1.00 45.57 O ATOM 204 HG SER A 390 -25.094 13.507 73.341 1.00 0.00 H ATOM 205 H SER A 390 -25.268 14.742 74.966 1.00 0.00 H ATOM 206 N GLU A 391 -22.226 14.863 74.810 1.00 36.32 N ATOM 207 CA GLU A 391 -20.994 15.326 74.175 1.00 37.09 C ATOM 208 C GLU A 391 -20.100 16.106 75.135 1.00 40.34 C ATOM 209 O GLU A 391 -19.795 17.272 74.893 1.00 45.04 O ATOM 210 CB GLU A 391 -21.335 16.210 72.979 1.00 42.89 C ATOM 211 CG GLU A 391 -20.799 15.742 71.650 1.00 49.11 C ATOM 212 CD GLU A 391 -21.163 16.700 70.533 1.00 51.64 C ATOM 213 OE1 GLU A 391 -22.362 16.766 70.172 1.00 51.53 O ATOM 214 OE2 GLU A 391 -20.251 17.387 70.021 1.00 54.75 O ATOM 215 H GLU A 391 -22.954 15.562 75.060 1.00 0.00 H ATOM 216 N ARG A 392 -19.680 15.480 76.227 1.00 44.09 N ATOM 217 CA ARG A 392 -18.926 16.212 77.241 1.00 39.70 C ATOM 218 C ARG A 392 -17.542 15.620 77.439 1.00 35.97 C ATOM 219 O ARG A 392 -17.315 14.447 77.143 1.00 37.63 O ATOM 220 CB ARG A 392 -19.679 16.221 78.571 1.00 40.46 C ATOM 221 CG ARG A 392 -21.117 16.719 78.476 1.00 39.95 C ATOM 222 CD ARG A 392 -21.193 18.164 78.002 1.00 42.04 C ATOM 223 NE ARG A 392 -22.579 18.582 77.815 1.00 38.55 N ATOM 224 CZ ARG A 392 -23.326 19.130 78.767 1.00 39.15 C ATOM 225 NH1 ARG A 392 -22.815 19.337 79.979 1.00 36.54 N ATOM 226 NH2 ARG A 392 -24.589 19.466 78.514 1.00 35.90 N ATOM 227 HE ARG A 392 -23.008 18.442 76.878 1.00 0.00 H ATOM 228 HH12 ARG A 392 -23.400 19.766 80.724 1.00 0.00 H ATOM 229 HH11 ARG A 392 -21.830 19.070 80.181 1.00 0.00 H ATOM 230 HH22 ARG A 392 -25.172 19.895 79.260 1.00 0.00 H ATOM 231 HH21 ARG A 392 -24.992 19.300 77.570 1.00 0.00 H ATOM 232 H ARG A 392 -19.887 14.470 76.361 1.00 0.00 H ATOM 233 N GLY A 393 -16.625 16.443 77.937 1.00 36.53 N ATOM 234 CA GLY A 393 -15.295 15.982 78.307 1.00 38.71 C ATOM 235 C GLY A 393 -15.392 14.796 79.244 1.00 34.34 C ATOM 236 O GLY A 393 -14.776 13.761 79.012 1.00 32.35 O ATOM 237 H GLY A 393 -16.865 17.447 78.066 1.00 0.00 H ATOM 238 N LEU A 394 -16.196 14.936 80.298 1.00 31.85 N ATOM 239 CA LEU A 394 -16.516 13.801 81.146 1.00 31.61 C ATOM 240 C LEU A 394 -17.983 13.855 81.579 1.00 31.92 C ATOM 241 O LEU A 394 -18.354 14.642 82.451 1.00 32.72 O ATOM 242 CB LEU A 394 -15.601 13.750 82.372 1.00 33.12 C ATOM 243 CG LEU A 394 -15.880 12.614 83.366 1.00 32.24 C ATOM 244 CD1 LEU A 394 -15.770 11.255 82.699 1.00 30.50 C ATOM 245 CD2 LEU A 394 -14.926 12.691 84.553 1.00 35.65 C ATOM 246 H LEU A 394 -16.599 15.870 80.516 1.00 0.00 H ATOM 247 N VAL A 395 -18.801 13.027 80.938 1.00 29.19 N ATOM 248 CA VAL A 395 -20.197 12.847 81.325 1.00 32.46 C ATOM 249 C VAL A 395 -20.277 12.350 82.771 1.00 31.90 C ATOM 250 O VAL A 395 -19.625 11.364 83.124 1.00 33.23 O ATOM 251 CB VAL A 395 -20.906 11.845 80.389 1.00 33.29 C ATOM 252 CG1 VAL A 395 -22.270 11.455 80.943 1.00 33.39 C ATOM 253 CG2 VAL A 395 -21.021 12.414 78.968 1.00 29.46 C ATOM 254 H VAL A 395 -18.433 12.486 80.130 1.00 0.00 H ATOM 255 N ARG A 396 -21.050 13.052 83.602 1.00 29.92 N ATOM 256 CA ARG A 396 -21.262 12.674 85.001 1.00 30.42 C ATOM 257 C ARG A 396 -22.763 12.526 85.287 1.00 30.36 C ATOM 258 O ARG A 396 -23.329 13.282 86.078 1.00 33.08 O ATOM 259 CB ARG A 396 -20.654 13.713 85.965 1.00 28.41 C ATOM 260 CG ARG A 396 -19.136 13.952 85.831 1.00 31.90 C ATOM 261 CD ARG A 396 -18.342 12.742 86.276 1.00 33.07 C ATOM 262 NE ARG A 396 -18.564 12.391 87.685 1.00 40.32 N ATOM 263 CZ ARG A 396 -17.754 12.733 88.688 1.00 47.13 C ATOM 264 NH1 ARG A 396 -16.663 13.451 88.453 1.00 40.61 N ATOM 265 NH2 ARG A 396 -18.032 12.355 89.932 1.00 40.27 N ATOM 266 HE ARG A 396 -19.413 11.837 87.917 1.00 0.00 H ATOM 267 HH12 ARG A 396 -16.035 13.715 89.239 1.00 0.00 H ATOM 268 HH11 ARG A 396 -16.436 13.750 87.483 1.00 0.00 H ATOM 269 HH22 ARG A 396 -17.398 12.624 90.711 1.00 0.00 H ATOM 270 HH21 ARG A 396 -18.884 11.791 90.126 1.00 0.00 H ATOM 271 H ARG A 396 -21.523 13.905 83.240 1.00 0.00 H ATOM 272 N GLN A 397 -23.389 11.543 84.648 1.00 26.14 N ATOM 273 CA GLN A 397 -24.832 11.341 84.727 1.00 32.67 C ATOM 274 C GLN A 397 -25.320 11.123 86.164 1.00 30.22 C ATOM 275 O GLN A 397 -26.392 11.588 86.545 1.00 30.50 O ATOM 276 CB GLN A 397 -25.225 10.153 83.863 1.00 30.51 C ATOM 277 CG GLN A 397 -26.713 9.966 83.722 1.00 31.12 C ATOM 278 CD GLN A 397 -27.050 8.979 82.643 1.00 38.10 C ATOM 279 OE1 GLN A 397 -26.310 8.838 81.664 1.00 38.66 O ATOM 280 NE2 GLN A 397 -28.163 8.276 82.809 1.00 38.93 N ATOM 281 HE22 GLN A 397 -28.755 8.430 83.650 1.00 0.00 H ATOM 282 HE21 GLN A 397 -28.444 7.571 82.098 1.00 0.00 H ATOM 283 H GLN A 397 -22.826 10.890 84.067 1.00 0.00 H ATOM 284 N GLU A 398 -24.517 10.415 86.951 1.00 27.46 N ATOM 285 CA GLU A 398 -24.847 10.118 88.338 1.00 30.48 C ATOM 286 C GLU A 398 -25.120 11.389 89.144 1.00 32.76 C ATOM 287 O GLU A 398 -25.887 11.363 90.105 1.00 30.94 O ATOM 288 CB GLU A 398 -23.718 9.309 88.981 1.00 30.55 C ATOM 289 H GLU A 398 -23.620 10.060 86.562 1.00 0.00 H ATOM 290 N GLU A 399 -24.507 12.504 88.748 1.00 33.52 N ATOM 291 CA GLU A 399 -24.688 13.761 89.480 1.00 34.88 C ATOM 292 C GLU A 399 -26.060 14.391 89.264 1.00 35.13 C ATOM 293 O GLU A 399 -26.436 15.332 89.971 1.00 32.32 O ATOM 294 CB GLU A 399 -23.605 14.773 89.103 1.00 36.59 C ATOM 295 CG GLU A 399 -22.203 14.378 89.517 1.00 37.44 C ATOM 296 CD GLU A 399 -22.081 14.107 91.010 1.00 47.20 C ATOM 297 OE1 GLU A 399 -22.741 14.813 91.814 1.00 44.89 O ATOM 298 OE2 GLU A 399 -21.310 13.191 91.377 1.00 49.43 O ATOM 299 H GLU A 399 -23.893 12.482 87.909 1.00 0.00 H ATOM 300 N ALA A 400 -26.812 13.871 88.295 1.00 32.50 N ATOM 301 CA ALA A 400 -28.149 14.389 88.005 1.00 29.96 C ATOM 302 C ALA A 400 -29.246 13.565 88.676 1.00 31.04 C ATOM 303 O ALA A 400 -30.440 13.872 88.548 1.00 31.15 O ATOM 304 CB ALA A 400 -28.377 14.438 86.477 1.00 29.11 C ATOM 305 H ALA A 400 -26.440 13.079 87.732 1.00 0.00 H ATOM 306 N GLU A 401 -28.847 12.506 89.373 1.00 31.22 N ATOM 307 CA GLU A 401 -29.809 11.618 90.014 1.00 32.70 C ATOM 308 C GLU A 401 -30.530 12.325 91.145 1.00 35.81 C ATOM 309 O GLU A 401 -29.898 12.892 92.029 1.00 33.54 O ATOM 310 CB GLU A 401 -29.125 10.365 90.554 1.00 33.26 C ATOM 311 CG GLU A 401 -28.421 9.546 89.499 1.00 34.46 C ATOM 312 CD GLU A 401 -27.888 8.230 90.034 1.00 40.64 C ATOM 313 OE1 GLU A 401 -28.019 7.980 91.253 1.00 42.90 O ATOM 314 OE2 GLU A 401 -27.329 7.450 89.231 1.00 42.54 O ATOM 315 H GLU A 401 -27.830 12.307 89.463 1.00 0.00 H ATOM 316 N ASP A 402 -31.858 12.289 91.106 1.00 31.82 N ATOM 317 CA ASP A 402 -32.673 12.836 92.181 1.00 36.18 C ATOM 318 C ASP A 402 -33.826 11.885 92.481 1.00 35.60 C ATOM 319 O ASP A 402 -34.929 12.067 91.971 1.00 35.39 O ATOM 320 CB ASP A 402 -33.198 14.226 91.808 1.00 36.05 C ATOM 321 CG ASP A 402 -33.671 15.026 93.020 1.00 49.92 C ATOM 322 OD1 ASP A 402 -33.930 14.428 94.092 1.00 45.79 O ATOM 323 OD2 ASP A 402 -33.797 16.265 92.895 1.00 56.70 O ATOM 324 H ASP A 402 -32.328 11.858 90.285 1.00 0.00 H ATOM 325 N PRO A 403 -33.570 10.865 93.314 1.00 38.53 N ATOM 326 CA PRO A 403 -34.581 9.879 93.726 1.00 44.29 C ATOM 327 C PRO A 403 -35.833 10.492 94.373 1.00 41.32 C ATOM 328 O PRO A 403 -36.893 9.863 94.339 1.00 42.08 O ATOM 329 CB PRO A 403 -33.826 9.007 94.742 1.00 45.59 C ATOM 330 CG PRO A 403 -32.685 9.860 95.208 1.00 38.05 C ATOM 331 CD PRO A 403 -32.288 10.660 94.014 1.00 38.29 C ATOM 332 N ALA A 404 -35.722 11.694 94.935 1.00 34.28 N ATOM 333 CA ALA A 404 -36.877 12.363 95.537 1.00 32.84 C ATOM 334 C ALA A 404 -37.924 12.765 94.501 1.00 37.37 C ATOM 335 O ALA A 404 -39.049 13.105 94.856 1.00 32.52 O ATOM 336 CB ALA A 404 -36.439 13.591 96.300 1.00 35.86 C ATOM 337 H ALA A 404 -34.796 12.167 94.947 1.00 0.00 H ATOM 338 N CYS A 405 -37.537 12.752 93.226 1.00 37.30 N ATOM 339 CA CYS A 405 -38.357 13.337 92.168 1.00 33.67 C ATOM 340 C CYS A 405 -39.145 12.294 91.414 1.00 34.50 C ATOM 341 O CYS A 405 -39.797 12.595 90.418 1.00 32.17 O ATOM 342 CB CYS A 405 -37.489 14.127 91.188 1.00 36.92 C ATOM 343 SG CYS A 405 -36.758 15.607 91.879 1.00 55.59 S ATOM 344 H CYS A 405 -36.627 12.314 92.978 1.00 0.00 H ATOM 345 N ILE A 406 -39.049 11.065 91.891 1.00 33.35 N ATOM 346 CA ILE A 406 -39.831 9.960 91.377 1.00 32.60 C ATOM 347 C ILE A 406 -41.310 10.356 91.270 1.00 29.97 C ATOM 348 O ILE A 406 -41.839 11.048 92.149 1.00 29.89 O ATOM 349 CB ILE A 406 -39.624 8.749 92.287 1.00 34.83 C ATOM 350 CG1 ILE A 406 -40.403 7.538 91.819 1.00 34.47 C ATOM 351 CG2 ILE A 406 -39.955 9.093 93.738 1.00 38.14 C ATOM 352 CD1 ILE A 406 -39.817 6.326 92.436 1.00 41.74 C ATOM 353 H ILE A 406 -38.383 10.884 92.669 1.00 0.00 H ATOM 354 N PRO A 407 -41.967 9.978 90.156 1.00 30.73 N ATOM 355 CA PRO A 407 -43.357 10.400 89.952 1.00 29.08 C ATOM 356 C PRO A 407 -44.315 9.778 90.949 1.00 29.07 C ATOM 357 O PRO A 407 -44.030 8.719 91.509 1.00 26.36 O ATOM 358 CB PRO A 407 -43.680 9.906 88.536 1.00 28.55 C ATOM 359 CG PRO A 407 -42.356 9.745 87.873 1.00 27.99 C ATOM 360 CD PRO A 407 -41.377 9.383 88.942 1.00 29.88 C ATOM 361 N ILE A 408 -45.450 10.437 91.145 1.00 27.90 N ATOM 362 CA ILE A 408 -46.528 9.893 91.954 1.00 32.70 C ATOM 363 C ILE A 408 -47.303 8.878 91.125 1.00 32.43 C ATOM 364 O ILE A 408 -47.689 7.820 91.630 1.00 30.12 O ATOM 365 CB ILE A 408 -47.472 10.996 92.442 1.00 32.71 C ATOM 366 CG1 ILE A 408 -46.700 12.003 93.295 1.00 39.26 C ATOM 367 CG2 ILE A 408 -48.624 10.398 93.231 1.00 35.99 C ATOM 368 CD1 ILE A 408 -47.438 13.302 93.520 1.00 40.26 C ATOM 369 H ILE A 408 -45.572 11.372 90.706 1.00 0.00 H ATOM 370 N PHE A 409 -47.500 9.207 89.843 1.00 28.63 N ATOM 371 CA PHE A 409 -48.283 8.384 88.919 1.00 26.56 C ATOM 372 C PHE A 409 -47.576 8.119 87.591 1.00 27.48 C ATOM 373 O PHE A 409 -46.959 9.008 87.001 1.00 26.75 O ATOM 374 CB PHE A 409 -49.633 9.043 88.609 1.00 27.33 C ATOM 375 CG PHE A 409 -50.521 9.200 89.794 1.00 32.47 C ATOM 376 CD1 PHE A 409 -51.098 8.093 90.393 1.00 29.73 C ATOM 377 CD2 PHE A 409 -50.793 10.458 90.306 1.00 32.74 C ATOM 378 CE1 PHE A 409 -51.922 8.237 91.482 1.00 30.38 C ATOM 379 CE2 PHE A 409 -51.620 10.607 91.399 1.00 30.57 C ATOM 380 CZ PHE A 409 -52.184 9.497 91.987 1.00 33.09 C ATOM 381 H PHE A 409 -47.077 10.088 89.486 1.00 0.00 H ATOM 382 N TRP A 410 -47.681 6.883 87.127 1.00 27.32 N ATOM 383 CA TRP A 410 -47.379 6.565 85.741 1.00 26.26 C ATOM 384 C TRP A 410 -48.303 5.446 85.295 1.00 30.79 C ATOM 385 O TRP A 410 -49.030 4.866 86.111 1.00 27.23 O ATOM 386 CB TRP A 410 -45.911 6.175 85.554 1.00 27.10 C ATOM 387 CG TRP A 410 -45.518 4.966 86.316 1.00 27.83 C ATOM 388 CD1 TRP A 410 -45.591 3.666 85.899 1.00 28.67 C ATOM 389 CD2 TRP A 410 -45.016 4.935 87.651 1.00 26.24 C ATOM 390 NE1 TRP A 410 -45.146 2.828 86.892 1.00 26.33 N ATOM 391 CE2 TRP A 410 -44.783 3.584 87.976 1.00 30.41 C ATOM 392 CE3 TRP A 410 -44.724 5.922 88.597 1.00 26.68 C ATOM 393 CZ2 TRP A 410 -44.278 3.193 89.219 1.00 32.99 C ATOM 394 CZ3 TRP A 410 -44.210 5.530 89.828 1.00 31.10 C ATOM 395 CH2 TRP A 410 -44.004 4.180 90.128 1.00 30.62 C ATOM 396 HE1 TRP A 410 -45.093 1.791 86.831 1.00 0.00 H ATOM 397 H TRP A 410 -47.986 6.123 87.768 1.00 0.00 H ATOM 398 N VAL A 411 -48.292 5.169 83.993 1.00 25.84 N ATOM 399 CA VAL A 411 -49.094 4.096 83.425 1.00 25.90 C ATOM 400 C VAL A 411 -48.353 2.771 83.529 1.00 26.36 C ATOM 401 O VAL A 411 -47.233 2.627 83.027 1.00 27.53 O ATOM 402 CB VAL A 411 -49.444 4.390 81.941 1.00 27.80 C ATOM 403 CG1 VAL A 411 -50.108 3.176 81.258 1.00 23.38 C ATOM 404 CG2 VAL A 411 -50.314 5.631 81.842 1.00 25.51 C ATOM 405 H VAL A 411 -47.691 5.737 83.362 1.00 0.00 H ATOM 406 N SER A 412 -48.981 1.796 84.169 1.00 22.30 N ATOM 407 CA SER A 412 -48.352 0.499 84.373 1.00 27.03 C ATOM 408 C SER A 412 -48.747 -0.534 83.316 1.00 26.67 C ATOM 409 O SER A 412 -47.990 -1.460 83.040 1.00 28.10 O ATOM 410 CB SER A 412 -48.680 -0.017 85.782 1.00 28.18 C ATOM 411 OG SER A 412 -50.084 -0.052 85.983 1.00 30.95 O ATOM 412 HG SER A 412 -50.454 0.860 85.880 1.00 0.00 H ATOM 413 H SER A 412 -49.941 1.960 84.533 1.00 0.00 H ATOM 414 N LYS A 413 -49.929 -0.365 82.719 1.00 27.05 N ATOM 415 CA LYS A 413 -50.461 -1.280 81.713 1.00 28.22 C ATOM 416 C LYS A 413 -51.399 -0.506 80.801 1.00 27.69 C ATOM 417 O LYS A 413 -52.002 0.473 81.239 1.00 23.28 O ATOM 418 CB LYS A 413 -51.264 -2.435 82.332 1.00 35.93 C ATOM 419 CG LYS A 413 -50.611 -3.255 83.421 1.00 40.17 C ATOM 420 CD LYS A 413 -51.573 -4.347 83.883 1.00 38.43 C ATOM 421 CE LYS A 413 -51.013 -5.116 85.075 1.00 36.70 C ATOM 422 NZ LYS A 413 -51.669 -6.444 85.217 1.00 37.85 N ATOM 423 HZ1 LYS A 413 -52.691 -6.311 85.358 1.00 0.00 H ATOM 424 HZ2 LYS A 413 -51.507 -7.003 84.355 1.00 0.00 H ATOM 425 HZ3 LYS A 413 -51.266 -6.942 86.036 1.00 0.00 H ATOM 426 H LYS A 413 -50.501 0.462 82.984 1.00 0.00 H ATOM 427 N TRP A 414 -51.547 -0.956 79.556 1.00 25.96 N ATOM 428 CA TRP A 414 -52.565 -0.401 78.661 1.00 24.92 C ATOM 429 C TRP A 414 -53.040 -1.425 77.642 1.00 26.83 C ATOM 430 O TRP A 414 -52.336 -2.390 77.335 1.00 29.40 O ATOM 431 CB TRP A 414 -52.044 0.847 77.936 1.00 24.41 C ATOM 432 CG TRP A 414 -50.733 0.655 77.201 1.00 27.49 C ATOM 433 CD1 TRP A 414 -49.470 0.882 77.684 1.00 24.59 C ATOM 434 CD2 TRP A 414 -50.571 0.208 75.846 1.00 24.11 C ATOM 435 NE1 TRP A 414 -48.533 0.597 76.710 1.00 27.78 N ATOM 436 CE2 TRP A 414 -49.187 0.182 75.578 1.00 27.22 C ATOM 437 CE3 TRP A 414 -51.468 -0.171 74.834 1.00 28.18 C ATOM 438 CZ2 TRP A 414 -48.676 -0.212 74.333 1.00 26.92 C ATOM 439 CZ3 TRP A 414 -50.957 -0.559 73.608 1.00 28.97 C ATOM 440 CH2 TRP A 414 -49.573 -0.580 73.370 1.00 29.44 C ATOM 441 HE1 TRP A 414 -47.502 0.683 76.817 1.00 0.00 H ATOM 442 H TRP A 414 -50.927 -1.717 79.212 1.00 0.00 H ATOM 443 N VAL A 415 -54.249 -1.206 77.133 1.00 30.73 N ATOM 444 CA VAL A 415 -54.853 -2.041 76.103 1.00 33.66 C ATOM 445 C VAL A 415 -55.469 -1.159 75.026 1.00 32.25 C ATOM 446 O VAL A 415 -56.370 -0.365 75.311 1.00 29.41 O ATOM 447 CB VAL A 415 -55.966 -2.966 76.656 1.00 31.78 C ATOM 448 CG1 VAL A 415 -56.546 -3.818 75.519 1.00 31.35 C ATOM 449 CG2 VAL A 415 -55.443 -3.836 77.782 1.00 33.67 C ATOM 450 H VAL A 415 -54.793 -0.394 77.490 1.00 0.00 H ATOM 451 N ASP A 416 -54.997 -1.319 73.794 1.00 29.15 N ATOM 452 CA ASP A 416 -55.476 -0.530 72.667 1.00 32.34 C ATOM 453 C ASP A 416 -56.668 -1.204 71.983 1.00 33.83 C ATOM 454 O ASP A 416 -56.500 -2.117 71.175 1.00 37.64 O ATOM 455 CB ASP A 416 -54.343 -0.312 71.660 1.00 32.48 C ATOM 456 CG ASP A 416 -54.753 0.565 70.474 1.00 39.09 C ATOM 457 OD1 ASP A 416 -55.961 0.865 70.291 1.00 33.42 O ATOM 458 OD2 ASP A 416 -53.846 0.945 69.704 1.00 34.01 O ATOM 459 H ASP A 416 -54.259 -2.033 73.629 1.00 0.00 H ATOM 460 N TYR A 417 -57.867 -0.729 72.292 1.00 33.96 N ATOM 461 CA TYR A 417 -59.076 -1.240 71.660 1.00 32.58 C ATOM 462 C TYR A 417 -59.742 -0.115 70.857 1.00 30.58 C ATOM 463 O TYR A 417 -60.967 -0.058 70.724 1.00 37.72 O ATOM 464 CB TYR A 417 -60.006 -1.805 72.733 1.00 37.32 C ATOM 465 CG TYR A 417 -61.107 -2.717 72.244 1.00 42.03 C ATOM 466 CD1 TYR A 417 -61.229 -3.053 70.899 1.00 46.38 C ATOM 467 CD2 TYR A 417 -62.025 -3.252 73.141 1.00 46.50 C ATOM 468 CE1 TYR A 417 -62.251 -3.893 70.463 1.00 50.42 C ATOM 469 CE2 TYR A 417 -63.035 -4.090 72.721 1.00 45.79 C ATOM 470 CZ TYR A 417 -63.148 -4.406 71.388 1.00 48.86 C ATOM 471 OH TYR A 417 -64.168 -5.241 70.981 1.00 59.97 O ATOM 472 HH TYR A 417 -64.115 -5.371 70.001 1.00 0.00 H ATOM 473 H TYR A 417 -57.946 0.026 73.002 1.00 0.00 H ATOM 474 N SER A 418 -58.916 0.779 70.328 1.00 28.32 N ATOM 475 CA SER A 418 -59.379 2.024 69.724 1.00 32.26 C ATOM 476 C SER A 418 -60.097 1.800 68.403 1.00 36.88 C ATOM 477 O SER A 418 -60.736 2.712 67.883 1.00 35.88 O ATOM 478 CB SER A 418 -58.210 2.982 69.502 1.00 30.26 C ATOM 479 OG SER A 418 -57.327 2.510 68.489 1.00 37.14 O ATOM 480 HG SER A 418 -56.962 1.629 68.755 1.00 0.00 H ATOM 481 H SER A 418 -57.895 0.584 70.345 1.00 0.00 H ATOM 482 N ASP A 419 -59.987 0.591 67.864 1.00 34.38 N ATOM 483 CA ASP A 419 -60.726 0.258 66.659 1.00 42.31 C ATOM 484 C ASP A 419 -62.220 0.319 66.947 1.00 42.09 C ATOM 485 O ASP A 419 -63.002 0.636 66.057 1.00 44.65 O ATOM 486 CB ASP A 419 -60.321 -1.119 66.127 1.00 41.32 C ATOM 487 CG ASP A 419 -59.073 -1.056 65.255 1.00 54.92 C ATOM 488 OD1 ASP A 419 -58.719 0.060 64.812 1.00 55.62 O ATOM 489 OD2 ASP A 419 -58.439 -2.111 65.021 1.00 63.80 O ATOM 490 H ASP A 419 -59.370 -0.119 68.306 1.00 0.00 H ATOM 491 N LYS A 420 -62.604 0.064 68.198 1.00 36.94 N ATOM 492 CA LYS A 420 -64.019 0.030 68.567 1.00 41.18 C ATOM 493 C LYS A 420 -64.449 0.971 69.712 1.00 43.62 C ATOM 494 O LYS A 420 -65.546 1.551 69.660 1.00 35.53 O ATOM 495 CB LYS A 420 -64.413 -1.405 68.937 1.00 43.67 C ATOM 496 CG LYS A 420 -65.544 -1.970 68.089 1.00 48.79 C ATOM 497 CD LYS A 420 -65.848 -3.416 68.458 1.00 52.07 C ATOM 498 CE LYS A 420 -66.937 -3.994 67.561 1.00 59.36 C ATOM 499 NZ LYS A 420 -67.277 -5.400 67.929 1.00 59.98 N ATOM 500 HZ1 LYS A 420 -66.430 -5.996 67.837 1.00 0.00 H ATOM 501 HZ2 LYS A 420 -67.616 -5.427 68.912 1.00 0.00 H ATOM 502 HZ3 LYS A 420 -68.021 -5.753 67.294 1.00 0.00 H ATOM 503 H LYS A 420 -61.883 -0.114 68.926 1.00 0.00 H ATOM 504 N TYR A 421 -63.617 1.112 70.748 1.00 35.19 N ATOM 505 CA TYR A 421 -64.060 1.804 71.966 1.00 32.10 C ATOM 506 C TYR A 421 -63.082 2.852 72.477 1.00 32.94 C ATOM 507 O TYR A 421 -63.469 3.981 72.792 1.00 29.80 O ATOM 508 CB TYR A 421 -64.327 0.786 73.077 1.00 33.05 C ATOM 509 CG TYR A 421 -65.414 -0.193 72.731 1.00 38.69 C ATOM 510 CD1 TYR A 421 -66.625 0.244 72.202 1.00 40.79 C ATOM 511 CD2 TYR A 421 -65.224 -1.556 72.897 1.00 40.44 C ATOM 512 CE1 TYR A 421 -67.625 -0.649 71.863 1.00 44.58 C ATOM 513 CE2 TYR A 421 -66.219 -2.460 72.563 1.00 47.08 C ATOM 514 CZ TYR A 421 -67.414 -2.001 72.043 1.00 46.95 C ATOM 515 OH TYR A 421 -68.405 -2.896 71.710 1.00 56.49 O ATOM 516 HH TYR A 421 -69.187 -2.404 71.355 1.00 0.00 H ATOM 517 H TYR A 421 -62.651 0.730 70.692 1.00 0.00 H ATOM 518 N GLY A 422 -61.814 2.471 72.588 1.00 29.18 N ATOM 519 CA GLY A 422 -60.811 3.398 73.053 1.00 25.66 C ATOM 520 C GLY A 422 -59.626 2.686 73.660 1.00 28.74 C ATOM 521 O GLY A 422 -59.321 1.542 73.314 1.00 29.10 O ATOM 522 H GLY A 422 -61.543 1.499 72.338 1.00 0.00 H ATOM 523 N LEU A 423 -58.961 3.370 74.580 1.00 25.75 N ATOM 524 CA LEU A 423 -57.761 2.831 75.216 1.00 29.27 C ATOM 525 C LEU A 423 -57.938 2.706 76.723 1.00 25.75 C ATOM 526 O LEU A 423 -58.168 3.698 77.407 1.00 25.22 O ATOM 527 CB LEU A 423 -56.548 3.702 74.907 1.00 28.50 C ATOM 528 CG LEU A 423 -55.236 3.238 75.553 1.00 29.79 C ATOM 529 CD1 LEU A 423 -54.149 3.052 74.543 1.00 28.14 C ATOM 530 CD2 LEU A 423 -54.802 4.215 76.622 1.00 30.84 C ATOM 531 H LEU A 423 -59.301 4.313 74.856 1.00 0.00 H ATOM 532 N GLY A 424 -57.824 1.480 77.225 1.00 24.79 N ATOM 533 CA GLY A 424 -57.869 1.228 78.651 1.00 23.59 C ATOM 534 C GLY A 424 -56.472 1.224 79.229 1.00 28.72 C ATOM 535 O GLY A 424 -55.503 0.877 78.548 1.00 22.68 O ATOM 536 H GLY A 424 -57.699 0.678 76.575 1.00 0.00 H ATOM 537 N TYR A 425 -56.357 1.614 80.489 1.00 24.44 N ATOM 538 CA TYR A 425 -55.049 1.632 81.133 1.00 25.20 C ATOM 539 C TYR A 425 -55.191 1.496 82.631 1.00 28.02 C ATOM 540 O TYR A 425 -56.287 1.588 83.180 1.00 25.69 O ATOM 541 CB TYR A 425 -54.298 2.914 80.793 1.00 25.78 C ATOM 542 CG TYR A 425 -54.982 4.152 81.312 1.00 23.68 C ATOM 543 CD1 TYR A 425 -54.604 4.721 82.525 1.00 28.84 C ATOM 544 CD2 TYR A 425 -56.005 4.749 80.595 1.00 24.28 C ATOM 545 CE1 TYR A 425 -55.230 5.851 83.011 1.00 28.62 C ATOM 546 CE2 TYR A 425 -56.644 5.883 81.072 1.00 30.09 C ATOM 547 CZ TYR A 425 -56.254 6.427 82.282 1.00 29.73 C ATOM 548 OH TYR A 425 -56.876 7.556 82.765 1.00 28.92 O ATOM 549 HH TYR A 425 -56.475 7.806 83.635 1.00 0.00 H ATOM 550 H TYR A 425 -57.201 1.908 81.020 1.00 0.00 H ATOM 551 N GLN A 426 -54.058 1.276 83.280 1.00 26.58 N ATOM 552 CA GLN A 426 -53.987 1.162 84.718 1.00 29.80 C ATOM 553 C GLN A 426 -52.855 2.056 85.166 1.00 29.75 C ATOM 554 O GLN A 426 -51.833 2.139 84.482 1.00 26.49 O ATOM 555 CB GLN A 426 -53.749 -0.289 85.133 1.00 33.09 C ATOM 556 CG GLN A 426 -53.350 -0.485 86.578 1.00 34.96 C ATOM 557 CD GLN A 426 -52.898 -1.903 86.848 1.00 39.28 C ATOM 558 OE1 GLN A 426 -53.711 -2.827 86.892 1.00 45.33 O ATOM 559 NE2 GLN A 426 -51.584 -2.092 86.974 1.00 38.85 N ATOM 560 HE22 GLN A 426 -50.935 -1.280 86.930 1.00 0.00 H ATOM 561 HE21 GLN A 426 -51.208 -3.051 87.116 1.00 0.00 H ATOM 562 H GLN A 426 -53.180 1.181 82.730 1.00 0.00 H ATOM 563 N LEU A 427 -53.046 2.765 86.272 1.00 26.89 N ATOM 564 CA LEU A 427 -51.960 3.544 86.841 1.00 25.96 C ATOM 565 C LEU A 427 -51.209 2.679 87.837 1.00 25.92 C ATOM 566 O LEU A 427 -51.672 1.605 88.208 1.00 30.14 O ATOM 567 CB LEU A 427 -52.473 4.827 87.490 1.00 26.74 C ATOM 568 CG LEU A 427 -53.103 5.830 86.520 1.00 29.34 C ATOM 569 CD1 LEU A 427 -53.359 7.167 87.205 1.00 35.75 C ATOM 570 CD2 LEU A 427 -52.258 6.016 85.261 1.00 29.75 C ATOM 571 H LEU A 427 -53.978 2.763 86.733 1.00 0.00 H ATOM 572 N CYS A 428 -50.030 3.131 88.243 1.00 23.69 N ATOM 573 CA CYS A 428 -49.161 2.325 89.101 1.00 29.96 C ATOM 574 C CYS A 428 -49.775 2.032 90.477 1.00 35.35 C ATOM 575 O CYS A 428 -49.318 1.130 91.186 1.00 37.90 O ATOM 576 CB CYS A 428 -47.822 3.026 89.283 1.00 27.33 C ATOM 577 SG CYS A 428 -47.952 4.718 89.904 1.00 33.02 S ATOM 578 H CYS A 428 -49.717 4.077 87.946 1.00 0.00 H ATOM 579 N ASP A 429 -50.793 2.805 90.846 1.00 31.75 N ATOM 580 CA ASP A 429 -51.487 2.649 92.136 1.00 33.38 C ATOM 581 C ASP A 429 -52.667 1.676 92.021 1.00 36.54 C ATOM 582 O ASP A 429 -53.488 1.560 92.942 1.00 34.98 O ATOM 583 CB ASP A 429 -51.988 4.004 92.641 1.00 32.89 C ATOM 584 CG ASP A 429 -53.280 4.451 91.940 1.00 36.26 C ATOM 585 OD1 ASP A 429 -53.442 4.172 90.732 1.00 31.90 O ATOM 586 OD2 ASP A 429 -54.137 5.076 92.596 1.00 34.73 O ATOM 587 H ASP A 429 -51.112 3.551 90.196 1.00 0.00 H ATOM 588 N ASN A 430 -52.743 1.016 90.865 1.00 34.07 N ATOM 589 CA ASN A 430 -53.744 0.004 90.529 1.00 35.10 C ATOM 590 C ASN A 430 -55.119 0.565 90.238 1.00 32.66 C ATOM 591 O ASN A 430 -56.072 -0.191 90.103 1.00 33.05 O ATOM 592 CB ASN A 430 -53.847 -1.056 91.627 1.00 39.39 C ATOM 593 CG ASN A 430 -52.566 -1.835 91.787 1.00 42.89 C ATOM 594 OD1 ASN A 430 -51.868 -2.106 90.803 1.00 42.54 O ATOM 595 ND2 ASN A 430 -52.234 -2.188 93.028 1.00 43.82 N ATOM 596 HD22 ASN A 430 -52.855 -1.937 93.824 1.00 0.00 H ATOM 597 HD21 ASN A 430 -51.354 -2.715 93.201 1.00 0.00 H ATOM 598 H ASN A 430 -52.030 1.240 90.141 1.00 0.00 H ATOM 599 N SER A 431 -55.229 1.883 90.123 1.00 29.59 N ATOM 600 CA SER A 431 -56.457 2.459 89.586 1.00 29.41 C ATOM 601 C SER A 431 -56.524 2.232 88.079 1.00 29.69 C ATOM 602 O SER A 431 -55.528 1.914 87.446 1.00 29.51 O ATOM 603 CB SER A 431 -56.549 3.945 89.902 1.00 31.26 C ATOM 604 OG SER A 431 -55.579 4.670 89.179 1.00 32.12 O ATOM 605 HG SER A 431 -54.676 4.346 89.424 1.00 0.00 H ATOM 606 H SER A 431 -54.445 2.501 90.414 1.00 0.00 H ATOM 607 N VAL A 432 -57.704 2.395 87.501 1.00 31.37 N ATOM 608 CA VAL A 432 -57.887 2.061 86.099 1.00 32.52 C ATOM 609 C VAL A 432 -58.650 3.181 85.408 1.00 31.98 C ATOM 610 O VAL A 432 -59.474 3.846 86.028 1.00 27.84 O ATOM 611 CB VAL A 432 -58.619 0.697 85.956 1.00 34.71 C ATOM 612 CG1 VAL A 432 -59.281 0.534 84.584 1.00 39.11 C ATOM 613 CG2 VAL A 432 -57.638 -0.442 86.228 1.00 32.61 C ATOM 614 H VAL A 432 -58.504 2.764 88.054 1.00 0.00 H ATOM 615 N GLY A 433 -58.336 3.419 84.136 1.00 26.86 N ATOM 616 CA GLY A 433 -59.042 4.414 83.356 1.00 29.61 C ATOM 617 C GLY A 433 -59.302 3.964 81.929 1.00 27.65 C ATOM 618 O GLY A 433 -58.704 3.004 81.443 1.00 23.54 O ATOM 619 H GLY A 433 -57.566 2.878 83.693 1.00 0.00 H ATOM 620 N VAL A 434 -60.239 4.638 81.275 1.00 32.04 N ATOM 621 CA VAL A 434 -60.429 4.493 79.843 1.00 29.92 C ATOM 622 C VAL A 434 -60.461 5.877 79.218 1.00 28.35 C ATOM 623 O VAL A 434 -61.112 6.783 79.739 1.00 28.59 O ATOM 624 CB VAL A 434 -61.732 3.752 79.475 1.00 29.48 C ATOM 625 CG1 VAL A 434 -61.773 3.496 77.965 1.00 28.99 C ATOM 626 CG2 VAL A 434 -61.844 2.433 80.216 1.00 30.20 C ATOM 627 H VAL A 434 -60.855 5.289 81.803 1.00 0.00 H ATOM 628 N LEU A 435 -59.739 6.044 78.116 1.00 26.59 N ATOM 629 CA LEU A 435 -59.972 7.170 77.234 1.00 25.52 C ATOM 630 C LEU A 435 -60.723 6.630 76.024 1.00 29.16 C ATOM 631 O LEU A 435 -60.137 5.936 75.179 1.00 27.30 O ATOM 632 CB LEU A 435 -58.663 7.836 76.808 1.00 31.24 C ATOM 633 CG LEU A 435 -58.762 8.920 75.725 1.00 33.28 C ATOM 634 CD1 LEU A 435 -59.745 10.030 76.110 1.00 29.03 C ATOM 635 CD2 LEU A 435 -57.381 9.492 75.414 1.00 26.68 C ATOM 636 H LEU A 435 -58.995 5.356 77.882 1.00 0.00 H ATOM 637 N PHE A 436 -62.018 6.927 75.966 1.00 28.34 N ATOM 638 CA PHE A 436 -62.882 6.475 74.877 1.00 28.98 C ATOM 639 C PHE A 436 -62.662 7.296 73.609 1.00 30.76 C ATOM 640 O PHE A 436 -62.147 8.415 73.662 1.00 27.78 O ATOM 641 CB PHE A 436 -64.356 6.543 75.301 1.00 25.20 C ATOM 642 CG PHE A 436 -64.683 5.678 76.483 1.00 27.49 C ATOM 643 CD1 PHE A 436 -64.857 4.309 76.332 1.00 28.53 C ATOM 644 CD2 PHE A 436 -64.811 6.233 77.751 1.00 25.03 C ATOM 645 CE1 PHE A 436 -65.158 3.509 77.436 1.00 25.81 C ATOM 646 CE2 PHE A 436 -65.098 5.445 78.850 1.00 25.59 C ATOM 647 CZ PHE A 436 -65.267 4.080 78.695 1.00 27.09 C ATOM 648 H PHE A 436 -62.432 7.504 76.726 1.00 0.00 H ATOM 649 N ASN A 437 -63.068 6.733 72.473 1.00 29.79 N ATOM 650 CA ASN A 437 -62.884 7.380 71.177 1.00 32.42 C ATOM 651 C ASN A 437 -63.620 8.712 71.021 1.00 36.39 C ATOM 652 O ASN A 437 -63.360 9.453 70.070 1.00 38.26 O ATOM 653 CB ASN A 437 -63.330 6.440 70.056 1.00 35.41 C ATOM 654 CG ASN A 437 -62.441 5.223 69.933 1.00 34.60 C ATOM 655 OD1 ASN A 437 -61.281 5.248 70.339 1.00 32.34 O ATOM 656 ND2 ASN A 437 -62.974 4.155 69.346 1.00 33.44 N ATOM 657 HD22 ASN A 437 -63.961 4.180 69.018 1.00 0.00 H ATOM 658 HD21 ASN A 437 -62.404 3.295 69.215 1.00 0.00 H ATOM 659 H ASN A 437 -63.531 5.803 72.510 1.00 0.00 H ATOM 660 N ASP A 438 -64.550 9.010 71.925 1.00 32.16 N ATOM 661 CA ASP A 438 -65.256 10.289 71.871 1.00 31.62 C ATOM 662 C ASP A 438 -64.606 11.323 72.795 1.00 31.26 C ATOM 663 O ASP A 438 -65.242 12.306 73.192 1.00 34.03 O ATOM 664 CB ASP A 438 -66.738 10.106 72.225 1.00 35.25 C ATOM 665 CG ASP A 438 -66.947 9.654 73.659 1.00 35.60 C ATOM 666 OD1 ASP A 438 -65.955 9.306 74.336 1.00 32.69 O ATOM 667 OD2 ASP A 438 -68.110 9.654 74.112 1.00 32.17 O ATOM 668 H ASP A 438 -64.776 8.327 72.676 1.00 0.00 H ATOM 669 N SER A 439 -63.343 11.073 73.141 1.00 32.51 N ATOM 670 CA SER A 439 -62.540 11.965 73.975 1.00 33.49 C ATOM 671 C SER A 439 -63.092 12.135 75.389 1.00 35.68 C ATOM 672 O SER A 439 -62.817 13.133 76.054 1.00 38.80 O ATOM 673 CB SER A 439 -62.403 13.340 73.317 1.00 38.82 C ATOM 674 OG SER A 439 -61.308 14.048 73.870 1.00 47.03 O ATOM 675 HG SER A 439 -61.452 14.169 74.842 1.00 0.00 H ATOM 676 H SER A 439 -62.905 10.194 72.798 1.00 0.00 H ATOM 677 N THR A 440 -63.867 11.168 75.855 1.00 29.96 N ATOM 678 CA THR A 440 -64.293 11.199 77.245 1.00 31.44 C ATOM 679 C THR A 440 -63.490 10.181 78.041 1.00 28.09 C ATOM 680 O THR A 440 -62.886 9.263 77.469 1.00 26.03 O ATOM 681 CB THR A 440 -65.790 10.913 77.401 1.00 28.32 C ATOM 682 OG1 THR A 440 -66.057 9.540 77.093 1.00 31.37 O ATOM 683 CG2 THR A 440 -66.611 11.824 76.491 1.00 29.92 C ATOM 684 HG1 THR A 440 -65.783 9.353 76.160 1.00 0.00 H ATOM 685 H THR A 440 -64.169 10.392 75.232 1.00 0.00 H ATOM 686 N ARG A 441 -63.487 10.348 79.362 1.00 27.35 N ATOM 687 CA ARG A 441 -62.688 9.506 80.232 1.00 29.58 C ATOM 688 C ARG A 441 -63.491 9.021 81.428 1.00 27.78 C ATOM 689 O ARG A 441 -64.230 9.786 82.049 1.00 27.27 O ATOM 690 CB ARG A 441 -61.446 10.254 80.728 1.00 28.68 C ATOM 691 CG ARG A 441 -60.543 10.792 79.642 1.00 27.02 C ATOM 692 CD ARG A 441 -60.748 12.286 79.461 1.00 28.28 C ATOM 693 NE ARG A 441 -59.862 12.835 78.432 1.00 29.93 N ATOM 694 CZ ARG A 441 -60.013 14.045 77.900 1.00 35.97 C ATOM 695 NH1 ARG A 441 -59.170 14.480 76.970 1.00 32.13 N ATOM 696 NH2 ARG A 441 -61.016 14.821 78.297 1.00 35.24 N ATOM 697 HE ARG A 441 -59.072 12.247 78.099 1.00 0.00 H ATOM 698 HH12 ARG A 441 -59.294 15.427 76.558 1.00 0.00 H ATOM 699 HH11 ARG A 441 -58.386 13.874 76.654 1.00 0.00 H ATOM 700 HH22 ARG A 441 -61.137 15.767 77.883 1.00 0.00 H ATOM 701 HH21 ARG A 441 -61.680 14.482 79.022 1.00 0.00 H ATOM 702 H ARG A 441 -64.071 11.100 79.780 1.00 0.00 H ATOM 703 N LEU A 442 -63.347 7.735 81.723 1.00 28.32 N ATOM 704 CA LEU A 442 -63.904 7.140 82.935 1.00 28.98 C ATOM 705 C LEU A 442 -62.756 6.538 83.760 1.00 32.31 C ATOM 706 O LEU A 442 -61.959 5.760 83.229 1.00 28.89 O ATOM 707 CB LEU A 442 -64.932 6.076 82.580 1.00 31.49 C ATOM 708 CG LEU A 442 -65.836 5.574 83.696 1.00 37.36 C ATOM 709 CD1 LEU A 442 -66.635 6.730 84.308 1.00 30.06 C ATOM 710 CD2 LEU A 442 -66.750 4.495 83.142 1.00 31.49 C ATOM 711 H LEU A 442 -62.817 7.128 81.066 1.00 0.00 H ATOM 712 N ILE A 443 -62.677 6.897 85.043 1.00 26.72 N ATOM 713 CA ILE A 443 -61.576 6.464 85.915 1.00 28.92 C ATOM 714 C ILE A 443 -62.111 5.800 87.187 1.00 31.60 C ATOM 715 O ILE A 443 -62.933 6.380 87.889 1.00 32.62 O ATOM 716 CB ILE A 443 -60.653 7.653 86.323 1.00 30.59 C ATOM 717 CG1 ILE A 443 -59.755 8.085 85.162 1.00 35.95 C ATOM 718 CG2 ILE A 443 -59.765 7.291 87.534 1.00 34.04 C ATOM 719 CD1 ILE A 443 -60.431 8.962 84.149 1.00 39.77 C ATOM 720 H ILE A 443 -63.421 7.505 85.440 1.00 0.00 H ATOM 721 N LEU A 444 -61.655 4.579 87.460 1.00 27.14 N ATOM 722 CA LEU A 444 -62.026 3.843 88.664 1.00 28.99 C ATOM 723 C LEU A 444 -60.873 3.864 89.684 1.00 29.86 C ATOM 724 O LEU A 444 -59.739 3.496 89.357 1.00 29.04 O ATOM 725 CB LEU A 444 -62.390 2.402 88.303 1.00 30.34 C ATOM 726 CG LEU A 444 -62.854 1.479 89.427 1.00 32.33 C ATOM 727 CD1 LEU A 444 -64.194 1.956 89.972 1.00 37.78 C ATOM 728 CD2 LEU A 444 -62.942 0.034 88.940 1.00 37.69 C ATOM 729 H LEU A 444 -61.005 4.130 86.784 1.00 0.00 H ATOM 730 N TYR A 445 -61.158 4.292 90.913 1.00 29.34 N ATOM 731 CA TYR A 445 -60.123 4.369 91.957 1.00 28.00 C ATOM 732 C TYR A 445 -59.725 2.977 92.436 1.00 30.18 C ATOM 733 O TYR A 445 -60.414 2.000 92.147 1.00 31.62 O ATOM 734 CB TYR A 445 -60.609 5.233 93.120 1.00 29.40 C ATOM 735 CG TYR A 445 -60.551 6.714 92.813 1.00 29.25 C ATOM 736 CD1 TYR A 445 -59.647 7.546 93.468 1.00 35.17 C ATOM 737 CD2 TYR A 445 -61.376 7.276 91.841 1.00 31.98 C ATOM 738 CE1 TYR A 445 -59.581 8.902 93.179 1.00 32.42 C ATOM 739 CE2 TYR A 445 -61.312 8.627 91.542 1.00 34.08 C ATOM 740 CZ TYR A 445 -60.419 9.435 92.216 1.00 38.46 C ATOM 741 OH TYR A 445 -60.353 10.778 91.915 1.00 43.84 O ATOM 742 HH TYR A 445 -60.110 10.890 90.962 1.00 0.00 H ATOM 743 H TYR A 445 -62.132 4.578 91.140 1.00 0.00 H ATOM 744 N ASN A 446 -58.616 2.869 93.166 1.00 31.97 N ATOM 745 CA ASN A 446 -58.159 1.543 93.568 1.00 32.22 C ATOM 746 C ASN A 446 -58.999 0.953 94.714 1.00 37.63 C ATOM 747 O ASN A 446 -58.770 -0.180 95.139 1.00 42.10 O ATOM 748 CB ASN A 446 -56.651 1.563 93.922 1.00 29.97 C ATOM 749 CG ASN A 446 -56.310 2.426 95.139 1.00 37.00 C ATOM 750 OD1 ASN A 446 -57.167 2.754 95.962 1.00 35.22 O ATOM 751 ND2 ASN A 446 -55.023 2.776 95.265 1.00 35.41 N ATOM 752 HD22 ASN A 446 -54.331 2.479 94.548 1.00 0.00 H ATOM 753 HD21 ASN A 446 -54.716 3.345 96.080 1.00 0.00 H ATOM 754 H ASN A 446 -58.084 3.718 93.445 1.00 0.00 H ATOM 755 N ASP A 447 -59.991 1.708 95.187 1.00 39.48 N ATOM 756 CA ASP A 447 -60.960 1.181 96.157 1.00 40.39 C ATOM 757 C ASP A 447 -62.119 0.437 95.479 1.00 45.07 C ATOM 758 O ASP A 447 -62.993 -0.126 96.145 1.00 44.75 O ATOM 759 CB ASP A 447 -61.509 2.307 97.049 1.00 38.58 C ATOM 760 CG ASP A 447 -62.232 3.404 96.267 1.00 41.41 C ATOM 761 OD1 ASP A 447 -62.628 3.193 95.095 1.00 44.22 O ATOM 762 OD2 ASP A 447 -62.412 4.499 96.844 1.00 41.98 O ATOM 763 H ASP A 447 -60.081 2.692 94.862 1.00 0.00 H ATOM 764 N GLY A 448 -62.138 0.460 94.151 1.00 40.07 N ATOM 765 CA GLY A 448 -63.128 -0.286 93.403 1.00 43.09 C ATOM 766 C GLY A 448 -64.534 0.290 93.397 1.00 45.15 C ATOM 767 O GLY A 448 -65.448 -0.338 92.859 1.00 50.83 O ATOM 768 H GLY A 448 -61.429 1.024 93.640 1.00 0.00 H ATOM 769 N ASP A 449 -64.727 1.473 93.978 1.00 42.32 N ATOM 770 CA ASP A 449 -66.061 2.078 93.976 1.00 44.06 C ATOM 771 C ASP A 449 -66.077 3.526 93.487 1.00 41.50 C ATOM 772 O ASP A 449 -66.999 3.928 92.770 1.00 41.51 O ATOM 773 CB ASP A 449 -66.694 2.004 95.374 1.00 42.61 C ATOM 774 CG ASP A 449 -68.206 2.248 95.347 1.00 53.00 C ATOM 775 OD1 ASP A 449 -68.961 1.339 94.927 1.00 50.66 O ATOM 776 OD2 ASP A 449 -68.644 3.350 95.747 1.00 56.68 O ATOM 777 H ASP A 449 -63.932 1.966 94.432 1.00 0.00 H ATOM 778 N SER A 450 -65.078 4.312 93.872 1.00 34.49 N ATOM 779 CA SER A 450 -65.043 5.713 93.461 1.00 36.44 C ATOM 780 C SER A 450 -64.821 5.828 91.960 1.00 33.28 C ATOM 781 O SER A 450 -63.924 5.186 91.409 1.00 33.79 O ATOM 782 CB SER A 450 -63.957 6.484 94.209 1.00 33.21 C ATOM 783 OG SER A 450 -64.283 6.628 95.582 1.00 40.47 O ATOM 784 HG SER A 450 -64.376 5.732 95.994 1.00 0.00 H ATOM 785 H SER A 450 -64.318 3.928 94.469 1.00 0.00 H ATOM 786 N LEU A 451 -65.643 6.653 91.319 1.00 27.22 N ATOM 787 CA LEU A 451 -65.607 6.863 89.873 1.00 28.80 C ATOM 788 C LEU A 451 -65.430 8.342 89.560 1.00 32.41 C ATOM 789 O LEU A 451 -65.864 9.209 90.319 1.00 33.54 O ATOM 790 CB LEU A 451 -66.901 6.367 89.215 1.00 35.03 C ATOM 791 CG LEU A 451 -67.030 4.995 88.554 1.00 36.73 C ATOM 792 CD1 LEU A 451 -68.489 4.778 88.099 1.00 41.16 C ATOM 793 CD2 LEU A 451 -66.090 4.871 87.371 1.00 35.03 C ATOM 794 H LEU A 451 -66.349 7.176 91.876 1.00 0.00 H ATOM 795 N GLN A 452 -64.815 8.626 88.423 1.00 28.71 N ATOM 796 CA GLN A 452 -64.706 9.989 87.939 1.00 28.21 C ATOM 797 C GLN A 452 -64.937 9.933 86.438 1.00 30.07 C ATOM 798 O GLN A 452 -64.298 9.144 85.742 1.00 29.00 O ATOM 799 CB GLN A 452 -63.332 10.581 88.286 1.00 36.73 C ATOM 800 CG GLN A 452 -63.162 12.070 87.988 1.00 38.85 C ATOM 801 CD GLN A 452 -61.746 12.571 88.293 1.00 48.24 C ATOM 802 OE1 GLN A 452 -61.064 12.059 89.189 1.00 45.75 O ATOM 803 NE2 GLN A 452 -61.291 13.557 87.523 1.00 42.90 N ATOM 804 HE22 GLN A 452 -61.898 13.959 86.781 1.00 0.00 H ATOM 805 HE21 GLN A 452 -60.329 13.925 87.664 1.00 0.00 H ATOM 806 H GLN A 452 -64.400 7.854 87.863 1.00 0.00 H ATOM 807 N TYR A 453 -65.890 10.726 85.955 1.00 32.30 N ATOM 808 CA TYR A 453 -66.152 10.859 84.523 1.00 30.30 C ATOM 809 C TYR A 453 -65.675 12.222 84.044 1.00 27.71 C ATOM 810 O TYR A 453 -65.977 13.247 84.662 1.00 29.28 O ATOM 811 CB TYR A 453 -67.644 10.691 84.216 1.00 30.41 C ATOM 812 CG TYR A 453 -67.966 10.779 82.731 1.00 29.69 C ATOM 813 CD1 TYR A 453 -67.603 9.757 81.861 1.00 30.85 C ATOM 814 CD2 TYR A 453 -68.637 11.879 82.205 1.00 32.36 C ATOM 815 CE1 TYR A 453 -67.899 9.826 80.499 1.00 32.95 C ATOM 816 CE2 TYR A 453 -68.938 11.960 80.856 1.00 32.51 C ATOM 817 CZ TYR A 453 -68.563 10.929 80.004 1.00 34.38 C ATOM 818 OH TYR A 453 -68.865 10.995 78.658 1.00 35.67 O ATOM 819 HH TYR A 453 -68.526 10.183 78.205 1.00 0.00 H ATOM 820 H TYR A 453 -66.471 11.273 86.622 1.00 0.00 H ATOM 821 N ILE A 454 -64.928 12.238 82.948 1.00 24.86 N ATOM 822 CA ILE A 454 -64.437 13.488 82.406 1.00 30.60 C ATOM 823 C ILE A 454 -64.893 13.642 80.969 1.00 31.47 C ATOM 824 O ILE A 454 -64.569 12.813 80.118 1.00 30.21 O ATOM 825 CB ILE A 454 -62.886 13.584 82.444 1.00 26.69 C ATOM 826 CG1 ILE A 454 -62.366 13.563 83.883 1.00 34.06 C ATOM 827 CG2 ILE A 454 -62.436 14.837 81.734 1.00 29.71 C ATOM 828 CD1 ILE A 454 -61.917 12.192 84.366 1.00 32.22 C ATOM 829 H ILE A 454 -64.692 11.343 82.473 1.00 0.00 H ATOM 830 N GLU A 455 -65.632 14.712 80.705 1.00 33.46 N ATOM 831 CA GLU A 455 -66.194 14.957 79.383 1.00 38.01 C ATOM 832 C GLU A 455 -65.098 15.463 78.448 1.00 34.74 C ATOM 833 O GLU A 455 -64.005 15.752 78.903 1.00 34.12 O ATOM 834 CB GLU A 455 -67.343 15.959 79.481 1.00 36.11 C ATOM 835 CG GLU A 455 -68.492 15.475 80.364 1.00 37.11 C ATOM 836 CD GLU A 455 -69.430 16.595 80.779 1.00 39.83 C ATOM 837 OE1 GLU A 455 -69.659 17.511 79.962 1.00 42.30 O ATOM 838 OE2 GLU A 455 -69.936 16.560 81.924 1.00 43.91 O ATOM 839 H GLU A 455 -65.816 15.397 81.465 1.00 0.00 H ATOM 840 N ARG A 456 -65.390 15.572 77.153 1.00 37.90 N ATOM 841 CA ARG A 456 -64.385 15.996 76.169 1.00 37.75 C ATOM 842 C ARG A 456 -63.686 17.305 76.553 1.00 40.22 C ATOM 843 O ARG A 456 -62.459 17.418 76.442 1.00 41.26 O ATOM 844 CB ARG A 456 -65.020 16.140 74.784 1.00 40.59 C ATOM 845 H ARG A 456 -66.354 15.351 76.830 1.00 0.00 H ATOM 846 N ASP A 457 -64.458 18.278 77.032 1.00 38.88 N ATOM 847 CA ASP A 457 -63.913 19.591 77.382 1.00 45.61 C ATOM 848 C ASP A 457 -63.270 19.652 78.780 1.00 49.16 C ATOM 849 O ASP A 457 -62.844 20.718 79.230 1.00 47.11 O ATOM 850 CB ASP A 457 -65.006 20.659 77.267 1.00 46.53 C ATOM 851 CG ASP A 457 -66.234 20.352 78.118 1.00 50.05 C ATOM 852 OD1 ASP A 457 -66.098 19.711 79.183 1.00 49.93 O ATOM 853 OD2 ASP A 457 -67.346 20.757 77.714 1.00 51.21 O ATOM 854 H ASP A 457 -65.475 18.101 77.161 1.00 0.00 H ATOM 855 N GLY A 458 -63.208 18.514 79.464 1.00 42.69 N ATOM 856 CA GLY A 458 -62.544 18.450 80.750 1.00 40.51 C ATOM 857 C GLY A 458 -63.437 18.519 81.980 1.00 39.20 C ATOM 858 O GLY A 458 -62.943 18.369 83.092 1.00 39.59 O ATOM 859 H GLY A 458 -63.643 17.656 79.070 1.00 0.00 H ATOM 860 N THR A 459 -64.740 18.737 81.791 1.00 38.91 N ATOM 861 CA THR A 459 -65.673 18.789 82.918 1.00 34.57 C ATOM 862 C THR A 459 -65.658 17.465 83.670 1.00 33.93 C ATOM 863 O THR A 459 -65.759 16.394 83.070 1.00 34.31 O ATOM 864 CB THR A 459 -67.127 19.094 82.467 1.00 44.29 C ATOM 865 OG1 THR A 459 -67.183 20.372 81.823 1.00 46.97 O ATOM 866 CG2 THR A 459 -68.070 19.097 83.665 1.00 36.61 C ATOM 867 HG1 THR A 459 -66.590 20.367 81.030 1.00 0.00 H ATOM 868 H THR A 459 -65.100 18.873 80.825 1.00 0.00 H ATOM 869 N GLU A 460 -65.522 17.535 84.987 1.00 37.95 N ATOM 870 CA GLU A 460 -65.407 16.330 85.787 1.00 37.10 C ATOM 871 C GLU A 460 -66.639 16.117 86.644 1.00 32.30 C ATOM 872 O GLU A 460 -67.229 17.073 87.143 1.00 38.75 O ATOM 873 CB GLU A 460 -64.158 16.392 86.680 1.00 36.81 C ATOM 874 CG GLU A 460 -62.889 16.749 85.933 1.00 39.93 C ATOM 875 CD GLU A 460 -61.681 16.806 86.843 1.00 44.44 C ATOM 876 OE1 GLU A 460 -61.856 16.654 88.075 1.00 50.06 O ATOM 877 OE2 GLU A 460 -60.562 17.010 86.330 1.00 43.30 O ATOM 878 H GLU A 460 -65.497 18.465 85.452 1.00 0.00 H ATOM 879 N SER A 461 -67.010 14.855 86.823 1.00 34.43 N ATOM 880 CA SER A 461 -68.099 14.487 87.716 1.00 33.67 C ATOM 881 C SER A 461 -67.658 13.335 88.603 1.00 37.49 C ATOM 882 O SER A 461 -67.078 12.362 88.115 1.00 33.20 O ATOM 883 CB SER A 461 -69.346 14.095 86.927 1.00 32.05 C ATOM 884 OG SER A 461 -69.672 15.092 85.972 1.00 39.67 O ATOM 885 HG SER A 461 -68.917 15.203 85.342 1.00 0.00 H ATOM 886 H SER A 461 -66.506 14.105 86.308 1.00 0.00 H ATOM 887 N TYR A 462 -67.947 13.437 89.898 1.00 32.08 N ATOM 888 CA TYR A 462 -67.530 12.416 90.852 1.00 39.03 C ATOM 889 C TYR A 462 -68.688 11.500 91.187 1.00 40.15 C ATOM 890 O TYR A 462 -69.747 11.944 91.623 1.00 42.64 O ATOM 891 CB TYR A 462 -66.961 13.065 92.112 1.00 41.47 C ATOM 892 CG TYR A 462 -65.983 14.158 91.768 1.00 43.75 C ATOM 893 CD1 TYR A 462 -64.736 13.857 91.230 1.00 42.92 C ATOM 894 CD2 TYR A 462 -66.320 15.494 91.944 1.00 44.75 C ATOM 895 CE1 TYR A 462 -63.843 14.859 90.897 1.00 43.54 C ATOM 896 CE2 TYR A 462 -65.441 16.500 91.611 1.00 49.78 C ATOM 897 CZ TYR A 462 -64.202 16.179 91.091 1.00 50.82 C ATOM 898 OH TYR A 462 -63.331 17.188 90.767 1.00 52.99 O ATOM 899 HH TYR A 462 -62.494 16.798 90.410 1.00 0.00 H ATOM 900 H TYR A 462 -68.482 14.262 90.237 1.00 0.00 H ATOM 901 N LEU A 463 -68.472 10.211 90.964 1.00 37.15 N ATOM 902 CA LEU A 463 -69.541 9.232 91.011 1.00 37.90 C ATOM 903 C LEU A 463 -69.095 7.995 91.775 1.00 39.10 C ATOM 904 O LEU A 463 -67.978 7.931 92.264 1.00 34.28 O ATOM 905 CB LEU A 463 -69.969 8.857 89.588 1.00 36.31 C ATOM 906 CG LEU A 463 -70.258 10.049 88.669 1.00 40.80 C ATOM 907 CD1 LEU A 463 -70.159 9.699 87.168 1.00 35.95 C ATOM 908 CD2 LEU A 463 -71.627 10.621 89.011 1.00 43.70 C ATOM 909 H LEU A 463 -67.506 9.892 90.749 1.00 0.00 H ATOM 910 N THR A 464 -69.980 7.013 91.880 1.00 40.16 N ATOM 911 CA THR A 464 -69.618 5.727 92.460 1.00 41.55 C ATOM 912 C THR A 464 -70.184 4.649 91.565 1.00 42.21 C ATOM 913 O THR A 464 -71.164 4.889 90.868 1.00 42.40 O ATOM 914 CB THR A 464 -70.174 5.546 93.883 1.00 46.96 C ATOM 915 OG1 THR A 464 -71.602 5.605 93.836 1.00 48.85 O ATOM 916 CG2 THR A 464 -69.646 6.627 94.826 1.00 45.46 C ATOM 917 HG1 THR A 464 -71.942 4.883 93.250 1.00 0.00 H ATOM 918 H THR A 464 -70.952 7.164 91.542 1.00 0.00 H ATOM 919 N VAL A 465 -69.595 3.459 91.581 1.00 40.68 N ATOM 920 CA VAL A 465 -70.167 2.375 90.795 1.00 46.42 C ATOM 921 C VAL A 465 -71.479 1.941 91.465 1.00 45.77 C ATOM 922 O VAL A 465 -72.345 1.343 90.832 1.00 45.98 O ATOM 923 CB VAL A 465 -69.180 1.184 90.629 1.00 49.44 C ATOM 924 CG1 VAL A 465 -68.730 0.652 91.970 1.00 50.13 C ATOM 925 CG2 VAL A 465 -69.789 0.073 89.771 1.00 48.83 C ATOM 926 H VAL A 465 -68.737 3.303 92.147 1.00 0.00 H ATOM 927 N SER A 466 -71.635 2.291 92.739 1.00 51.35 N ATOM 928 CA SER A 466 -72.866 1.997 93.473 1.00 49.32 C ATOM 929 C SER A 466 -74.021 2.877 93.008 1.00 47.82 C ATOM 930 O SER A 466 -75.144 2.406 92.822 1.00 52.16 O ATOM 931 CB SER A 466 -72.640 2.185 94.977 1.00 49.88 C ATOM 932 OG SER A 466 -71.676 1.261 95.450 1.00 54.72 O ATOM 933 HG SER A 466 -70.820 1.406 94.974 1.00 0.00 H ATOM 934 H SER A 466 -70.861 2.787 93.226 1.00 0.00 H ATOM 935 N SER A 467 -73.738 4.163 92.836 1.00 49.55 N ATOM 936 CA SER A 467 -74.761 5.146 92.503 1.00 47.34 C ATOM 937 C SER A 467 -74.531 5.750 91.112 1.00 44.82 C ATOM 938 O SER A 467 -74.824 6.922 90.889 1.00 46.21 O ATOM 939 CB SER A 467 -74.769 6.260 93.556 1.00 49.90 C ATOM 940 OG SER A 467 -75.483 5.878 94.719 1.00 54.07 O ATOM 941 HG SER A 467 -75.466 6.620 95.374 1.00 0.00 H ATOM 942 H SER A 467 -72.753 4.479 92.943 1.00 0.00 H ATOM 943 N HIS A 468 -73.986 4.970 90.182 1.00 46.01 N ATOM 944 CA HIS A 468 -73.579 5.540 88.894 1.00 43.35 C ATOM 945 C HIS A 468 -74.792 5.806 88.016 1.00 42.94 C ATOM 946 O HIS A 468 -75.706 4.985 87.970 1.00 38.35 O ATOM 947 CB HIS A 468 -72.586 4.623 88.161 1.00 40.35 C ATOM 948 CG HIS A 468 -73.201 3.396 87.558 1.00 42.21 C ATOM 949 ND1 HIS A 468 -74.027 3.434 86.451 1.00 43.47 N ATOM 950 CD2 HIS A 468 -73.077 2.087 87.886 1.00 38.10 C ATOM 951 CE1 HIS A 468 -74.403 2.208 86.142 1.00 41.42 C ATOM 952 NE2 HIS A 468 -73.841 1.369 86.995 1.00 46.51 N ATOM 953 H HIS A 468 -73.849 3.956 90.369 1.00 0.00 H ATOM 954 N PRO A 469 -74.790 6.951 87.311 1.00 39.92 N ATOM 955 CA PRO A 469 -75.891 7.309 86.406 1.00 36.08 C ATOM 956 C PRO A 469 -76.106 6.223 85.370 1.00 35.99 C ATOM 957 O PRO A 469 -75.135 5.644 84.887 1.00 34.90 O ATOM 958 CB PRO A 469 -75.410 8.603 85.745 1.00 35.95 C ATOM 959 CG PRO A 469 -74.349 9.145 86.683 1.00 39.99 C ATOM 960 CD PRO A 469 -73.700 7.942 87.283 1.00 37.62 C ATOM 961 N ASN A 470 -77.361 5.952 85.034 1.00 36.49 N ATOM 962 CA ASN A 470 -77.677 4.919 84.061 1.00 34.97 C ATOM 963 C ASN A 470 -77.072 5.204 82.696 1.00 28.51 C ATOM 964 O ASN A 470 -76.794 4.290 81.923 1.00 30.33 O ATOM 965 CB ASN A 470 -79.189 4.768 83.920 1.00 36.21 C ATOM 966 CG ASN A 470 -79.567 3.790 82.836 1.00 40.57 C ATOM 967 OD1 ASN A 470 -79.345 2.586 82.979 1.00 47.53 O ATOM 968 ND2 ASN A 470 -80.115 4.298 81.732 1.00 44.82 N ATOM 969 HD22 ASN A 470 -80.283 5.322 81.658 1.00 0.00 H ATOM 970 HD21 ASN A 470 -80.375 3.671 80.944 1.00 0.00 H ATOM 971 H ASN A 470 -78.134 6.489 85.476 1.00 0.00 H ATOM 972 N SER A 471 -76.894 6.486 82.400 1.00 28.98 N ATOM 973 CA SER A 471 -76.338 6.923 81.124 1.00 33.18 C ATOM 974 C SER A 471 -74.919 6.384 80.916 1.00 33.97 C ATOM 975 O SER A 471 -74.436 6.332 79.789 1.00 32.66 O ATOM 976 CB SER A 471 -76.317 8.450 81.053 1.00 34.55 C ATOM 977 OG SER A 471 -75.418 8.973 82.038 1.00 36.07 O ATOM 978 HG SER A 471 -75.411 9.962 81.985 1.00 0.00 H ATOM 979 H SER A 471 -77.161 7.205 83.103 1.00 0.00 H ATOM 980 N LEU A 472 -74.256 5.995 82.006 1.00 33.07 N ATOM 981 CA LEU A 472 -72.876 5.510 81.902 1.00 35.80 C ATOM 982 C LEU A 472 -72.767 3.982 81.937 1.00 36.32 C ATOM 983 O LEU A 472 -71.666 3.442 82.044 1.00 34.50 O ATOM 984 CB LEU A 472 -72.011 6.125 83.001 1.00 33.50 C ATOM 985 CG LEU A 472 -71.610 7.592 82.797 1.00 35.55 C ATOM 986 CD1 LEU A 472 -70.787 8.086 83.968 1.00 34.68 C ATOM 987 CD2 LEU A 472 -70.835 7.782 81.484 1.00 33.02 C ATOM 988 H LEU A 472 -74.721 6.036 82.936 1.00 0.00 H ATOM 989 N MET A 473 -73.904 3.300 81.806 1.00 38.27 N ATOM 990 CA MET A 473 -73.949 1.838 81.678 1.00 37.86 C ATOM 991 C MET A 473 -72.891 1.228 80.757 1.00 38.00 C ATOM 992 O MET A 473 -72.048 0.438 81.206 1.00 39.70 O ATOM 993 CB MET A 473 -75.312 1.381 81.159 1.00 46.18 C ATOM 994 CG MET A 473 -75.599 -0.078 81.486 1.00 53.22 C ATOM 995 SD MET A 473 -75.030 -0.600 83.122 1.00 65.77 S ATOM 996 CE MET A 473 -76.264 0.169 84.190 1.00 59.47 C ATOM 997 H MET A 473 -74.800 3.827 81.794 1.00 0.00 H ATOM 998 N LYS A 474 -72.953 1.574 79.471 1.00 30.75 N ATOM 999 CA LYS A 474 -72.078 0.975 78.467 1.00 37.40 C ATOM 1000 C LYS A 474 -70.604 1.252 78.755 1.00 34.19 C ATOM 1001 O LYS A 474 -69.768 0.375 78.576 1.00 29.77 O ATOM 1002 CB LYS A 474 -72.427 1.485 77.068 1.00 31.39 C ATOM 1003 CG LYS A 474 -71.556 0.954 75.912 1.00 43.84 C ATOM 1004 CD LYS A 474 -71.646 -0.564 75.701 1.00 44.55 C ATOM 1005 CE LYS A 474 -70.964 -0.968 74.377 1.00 50.74 C ATOM 1006 NZ LYS A 474 -70.844 -2.445 74.172 1.00 51.69 N ATOM 1007 HZ1 LYS A 474 -70.280 -2.856 74.943 1.00 0.00 H ATOM 1008 HZ2 LYS A 474 -71.793 -2.872 74.169 1.00 0.00 H ATOM 1009 HZ3 LYS A 474 -70.376 -2.631 73.262 1.00 0.00 H ATOM 1010 H LYS A 474 -73.645 2.292 79.174 1.00 0.00 H ATOM 1011 N LYS A 475 -70.296 2.475 79.181 1.00 30.77 N ATOM 1012 CA LYS A 475 -68.908 2.862 79.410 1.00 32.31 C ATOM 1013 C LYS A 475 -68.354 2.186 80.651 1.00 31.69 C ATOM 1014 O LYS A 475 -67.185 1.801 80.687 1.00 30.01 O ATOM 1015 CB LYS A 475 -68.778 4.389 79.504 1.00 26.29 C ATOM 1016 CG LYS A 475 -68.602 5.048 78.115 1.00 27.56 C ATOM 1017 CD LYS A 475 -68.817 6.559 78.158 1.00 31.65 C ATOM 1018 CE LYS A 475 -68.596 7.197 76.785 1.00 27.13 C ATOM 1019 NZ LYS A 475 -68.814 8.675 76.816 1.00 26.27 N ATOM 1020 HZ1 LYS A 475 -69.790 8.874 77.115 1.00 0.00 H ATOM 1021 HZ2 LYS A 475 -68.149 9.108 77.488 1.00 0.00 H ATOM 1022 HZ3 LYS A 475 -68.654 9.068 75.866 1.00 0.00 H ATOM 1023 H LYS A 475 -71.055 3.164 79.353 1.00 0.00 H ATOM 1024 N ILE A 476 -69.190 2.025 81.670 1.00 30.65 N ATOM 1025 CA ILE A 476 -68.762 1.324 82.866 1.00 31.90 C ATOM 1026 C ILE A 476 -68.521 -0.149 82.571 1.00 31.11 C ATOM 1027 O ILE A 476 -67.560 -0.734 83.062 1.00 34.87 O ATOM 1028 CB ILE A 476 -69.783 1.489 84.004 1.00 34.10 C ATOM 1029 CG1 ILE A 476 -69.582 2.862 84.640 1.00 38.83 C ATOM 1030 CG2 ILE A 476 -69.605 0.408 85.055 1.00 34.39 C ATOM 1031 CD1 ILE A 476 -70.725 3.322 85.473 1.00 40.39 C ATOM 1032 H ILE A 476 -70.157 2.403 81.610 1.00 0.00 H ATOM 1033 N THR A 477 -69.370 -0.735 81.740 1.00 31.56 N ATOM 1034 CA THR A 477 -69.192 -2.126 81.330 1.00 35.26 C ATOM 1035 C THR A 477 -67.884 -2.295 80.539 1.00 36.00 C ATOM 1036 O THR A 477 -67.209 -3.321 80.651 1.00 35.69 O ATOM 1037 CB THR A 477 -70.387 -2.617 80.489 1.00 39.22 C ATOM 1038 OG1 THR A 477 -71.599 -2.407 81.222 1.00 40.70 O ATOM 1039 CG2 THR A 477 -70.254 -4.101 80.172 1.00 43.33 C ATOM 1040 HG1 THR A 477 -71.703 -1.442 81.415 1.00 0.00 H ATOM 1041 H THR A 477 -70.179 -0.194 81.372 1.00 0.00 H ATOM 1042 N LEU A 478 -67.520 -1.276 79.766 1.00 31.14 N ATOM 1043 CA LEU A 478 -66.292 -1.319 78.981 1.00 30.77 C ATOM 1044 C LEU A 478 -65.081 -1.153 79.898 1.00 33.36 C ATOM 1045 O LEU A 478 -64.045 -1.789 79.695 1.00 32.50 O ATOM 1046 CB LEU A 478 -66.298 -0.235 77.893 1.00 32.40 C ATOM 1047 CG LEU A 478 -67.318 -0.422 76.753 1.00 37.26 C ATOM 1048 CD1 LEU A 478 -67.281 0.732 75.742 1.00 31.52 C ATOM 1049 CD2 LEU A 478 -67.114 -1.765 76.054 1.00 38.27 C ATOM 1050 H LEU A 478 -68.124 -0.431 79.720 1.00 0.00 H ATOM 1051 N LEU A 479 -65.218 -0.292 80.902 1.00 31.29 N ATOM 1052 CA LEU A 479 -64.156 -0.094 81.874 1.00 35.03 C ATOM 1053 C LEU A 479 -63.865 -1.403 82.598 1.00 37.12 C ATOM 1054 O LEU A 479 -62.703 -1.748 82.853 1.00 35.07 O ATOM 1055 CB LEU A 479 -64.530 1.003 82.873 1.00 34.21 C ATOM 1056 CG LEU A 479 -63.519 1.203 84.001 1.00 37.00 C ATOM 1057 CD1 LEU A 479 -63.191 2.675 84.180 1.00 36.11 C ATOM 1058 CD2 LEU A 479 -64.058 0.614 85.295 1.00 40.29 C ATOM 1059 H LEU A 479 -66.101 0.250 80.993 1.00 0.00 H ATOM 1060 N ASN A 480 -64.932 -2.134 82.913 1.00 37.95 N ATOM 1061 CA ASN A 480 -64.812 -3.423 83.587 1.00 38.99 C ATOM 1062 C ASN A 480 -64.223 -4.490 82.692 1.00 39.05 C ATOM 1063 O ASN A 480 -63.517 -5.374 83.173 1.00 43.23 O ATOM 1064 CB ASN A 480 -66.164 -3.906 84.114 1.00 37.80 C ATOM 1065 CG ASN A 480 -66.460 -3.388 85.501 1.00 45.91 C ATOM 1066 OD1 ASN A 480 -65.545 -3.064 86.262 1.00 50.16 O ATOM 1067 ND2 ASN A 480 -67.746 -3.332 85.852 1.00 49.56 N ATOM 1068 HD22 ASN A 480 -68.483 -3.616 85.175 1.00 0.00 H ATOM 1069 HD21 ASN A 480 -68.012 -3.004 86.803 1.00 0.00 H ATOM 1070 H ASN A 480 -65.878 -1.776 82.672 1.00 0.00 H ATOM 1071 N TYR A 481 -64.523 -4.423 81.399 1.00 38.40 N ATOM 1072 CA TYR A 481 -63.874 -5.324 80.459 1.00 39.99 C ATOM 1073 C TYR A 481 -62.361 -5.111 80.501 1.00 38.56 C ATOM 1074 O TYR A 481 -61.603 -6.066 80.665 1.00 41.60 O ATOM 1075 CB TYR A 481 -64.410 -5.126 79.042 1.00 36.96 C ATOM 1076 CG TYR A 481 -63.639 -5.912 77.996 1.00 41.59 C ATOM 1077 CD1 TYR A 481 -63.901 -7.262 77.778 1.00 43.08 C ATOM 1078 CD2 TYR A 481 -62.644 -5.308 77.235 1.00 43.65 C ATOM 1079 CE1 TYR A 481 -63.192 -7.988 76.832 1.00 48.22 C ATOM 1080 CE2 TYR A 481 -61.927 -6.026 76.283 1.00 47.94 C ATOM 1081 CZ TYR A 481 -62.208 -7.365 76.085 1.00 51.04 C ATOM 1082 OH TYR A 481 -61.500 -8.080 75.141 1.00 58.20 O ATOM 1083 HH TYR A 481 -61.823 -9.016 75.127 1.00 0.00 H ATOM 1084 H TYR A 481 -65.219 -3.729 81.060 1.00 0.00 H ATOM 1085 N PHE A 482 -61.930 -3.858 80.367 1.00 35.17 N ATOM 1086 CA PHE A 482 -60.505 -3.531 80.410 1.00 38.99 C ATOM 1087 C PHE A 482 -59.895 -3.936 81.752 1.00 41.38 C ATOM 1088 O PHE A 482 -58.797 -4.497 81.810 1.00 43.53 O ATOM 1089 CB PHE A 482 -60.278 -2.033 80.180 1.00 37.35 C ATOM 1090 CG PHE A 482 -60.429 -1.594 78.750 1.00 36.81 C ATOM 1091 CD1 PHE A 482 -59.609 -2.109 77.755 1.00 37.47 C ATOM 1092 CD2 PHE A 482 -61.375 -0.645 78.406 1.00 33.02 C ATOM 1093 CE1 PHE A 482 -59.738 -1.686 76.439 1.00 33.63 C ATOM 1094 CE2 PHE A 482 -61.512 -0.220 77.104 1.00 32.88 C ATOM 1095 CZ PHE A 482 -60.692 -0.740 76.113 1.00 32.84 C ATOM 1096 H PHE A 482 -62.623 -3.095 80.229 1.00 0.00 H ATOM 1097 N ARG A 483 -60.619 -3.638 82.828 1.00 40.52 N ATOM 1098 CA ARG A 483 -60.156 -3.933 84.175 1.00 42.05 C ATOM 1099 C ARG A 483 -59.920 -5.427 84.369 1.00 47.51 C ATOM 1100 O ARG A 483 -58.903 -5.837 84.936 1.00 47.79 O ATOM 1101 CB ARG A 483 -61.160 -3.430 85.212 1.00 41.23 C ATOM 1102 CG ARG A 483 -60.696 -3.633 86.643 1.00 46.24 C ATOM 1103 CD ARG A 483 -61.858 -3.592 87.609 1.00 52.76 C ATOM 1104 NE ARG A 483 -61.421 -3.859 88.975 1.00 62.13 N ATOM 1105 CZ ARG A 483 -62.228 -3.866 90.030 1.00 60.58 C ATOM 1106 NH1 ARG A 483 -63.524 -3.620 89.876 1.00 64.11 N ATOM 1107 NH2 ARG A 483 -61.740 -4.117 91.239 1.00 65.24 N ATOM 1108 HE ARG A 483 -60.412 -4.057 89.133 1.00 0.00 H ATOM 1109 HH12 ARG A 483 -64.156 -3.625 90.702 1.00 0.00 H ATOM 1110 HH11 ARG A 483 -63.907 -3.422 88.930 1.00 0.00 H ATOM 1111 HH22 ARG A 483 -62.373 -4.122 92.064 1.00 0.00 H ATOM 1112 HH21 ARG A 483 -60.725 -4.308 91.361 1.00 0.00 H ATOM 1113 H ARG A 483 -61.544 -3.180 82.702 1.00 0.00 H ATOM 1114 N ASN A 484 -60.857 -6.242 83.896 1.00 42.65 N ATOM 1115 CA ASN A 484 -60.715 -7.685 84.031 1.00 46.28 C ATOM 1116 C ASN A 484 -59.590 -8.232 83.159 1.00 46.15 C ATOM 1117 O ASN A 484 -58.923 -9.201 83.529 1.00 50.63 O ATOM 1118 CB ASN A 484 -62.031 -8.383 83.700 1.00 42.86 C ATOM 1119 CG ASN A 484 -63.110 -8.086 84.720 1.00 46.07 C ATOM 1120 OD1 ASN A 484 -62.817 -7.640 85.830 1.00 54.49 O ATOM 1121 ND2 ASN A 484 -64.364 -8.337 84.354 1.00 51.06 N ATOM 1122 HD22 ASN A 484 -64.563 -8.714 83.405 1.00 0.00 H ATOM 1123 HD21 ASN A 484 -65.145 -8.157 85.017 1.00 0.00 H ATOM 1124 H ASN A 484 -61.697 -5.847 83.427 1.00 0.00 H ATOM 1125 N TYR A 485 -59.375 -7.597 82.010 1.00 45.09 N ATOM 1126 CA TYR A 485 -58.336 -8.025 81.080 1.00 45.89 C ATOM 1127 C TYR A 485 -56.935 -7.769 81.646 1.00 49.17 C ATOM 1128 O TYR A 485 -56.090 -8.664 81.648 1.00 48.85 O ATOM 1129 CB TYR A 485 -58.495 -7.314 79.734 1.00 44.03 C ATOM 1130 CG TYR A 485 -57.568 -7.823 78.642 1.00 47.16 C ATOM 1131 CD1 TYR A 485 -58.019 -8.725 77.684 1.00 51.14 C ATOM 1132 CD2 TYR A 485 -56.247 -7.392 78.562 1.00 46.88 C ATOM 1133 CE1 TYR A 485 -57.175 -9.191 76.681 1.00 50.38 C ATOM 1134 CE2 TYR A 485 -55.395 -7.858 77.568 1.00 48.34 C ATOM 1135 CZ TYR A 485 -55.867 -8.753 76.633 1.00 51.86 C ATOM 1136 OH TYR A 485 -55.023 -9.208 75.644 1.00 60.53 O ATOM 1137 HH TYR A 485 -55.512 -9.839 75.059 1.00 0.00 H ATOM 1138 H TYR A 485 -59.963 -6.774 81.769 1.00 0.00 H ATOM 1139 N MET A 486 -56.701 -6.547 82.121 1.00 46.05 N ATOM 1140 CA MET A 486 -55.362 -6.105 82.515 1.00 49.59 C ATOM 1141 C MET A 486 -54.838 -6.796 83.765 1.00 50.71 C ATOM 1142 O MET A 486 -53.633 -7.047 83.886 1.00 58.55 O ATOM 1143 CB MET A 486 -55.346 -4.591 82.731 1.00 42.73 C ATOM 1144 CG MET A 486 -55.416 -3.794 81.451 1.00 39.95 C ATOM 1145 SD MET A 486 -55.295 -2.017 81.724 1.00 39.20 S ATOM 1146 CE MET A 486 -56.750 -1.730 82.732 1.00 36.37 C ATOM 1147 H MET A 486 -57.497 -5.884 82.215 1.00 0.00 H ATOM 1148 N SER A 487 -55.744 -7.099 84.688 1.00 52.62 N ATOM 1149 CA SER A 487 -55.401 -7.764 85.941 1.00 57.64 C ATOM 1150 C SER A 487 -55.194 -9.253 85.733 1.00 58.94 C ATOM 1151 O SER A 487 -55.103 -10.023 86.691 1.00 58.50 O ATOM 1152 CB SER A 487 -56.500 -7.547 86.969 1.00 54.92 C ATOM 1153 OG SER A 487 -57.713 -8.123 86.510 1.00 55.80 O ATOM 1154 HG SER A 487 -57.976 -7.698 85.656 1.00 0.00 H ATOM 1155 H SER A 487 -56.739 -6.852 84.510 1.00 0.00 H ATOM 1156 N GLU A 488 -55.132 -9.646 84.468 1.00 56.91 N ATOM 1157 CA GLU A 488 -55.085 -11.044 84.094 1.00 59.04 C ATOM 1158 C GLU A 488 -54.036 -11.306 83.016 1.00 56.36 C ATOM 1159 O GLU A 488 -53.661 -12.447 82.792 1.00 57.93 O ATOM 1160 CB GLU A 488 -56.464 -11.496 83.604 1.00 58.85 C ATOM 1161 CG GLU A 488 -57.208 -12.427 84.553 1.00 66.18 C ATOM 1162 CD GLU A 488 -56.854 -13.890 84.338 1.00 75.02 C ATOM 1163 OE1 GLU A 488 -56.588 -14.275 83.176 1.00 70.42 O ATOM 1164 OE2 GLU A 488 -56.848 -14.653 85.331 1.00 76.03 O ATOM 1165 H GLU A 488 -55.117 -8.925 83.719 1.00 0.00 H ATOM 1166 N HIS A 489 -53.541 -10.254 82.369 1.00 51.91 N ATOM 1167 CA HIS A 489 -52.777 -10.436 81.134 1.00 52.39 C ATOM 1168 C HIS A 489 -51.359 -9.859 81.092 1.00 49.98 C ATOM 1169 O HIS A 489 -50.438 -10.483 80.548 1.00 46.77 O ATOM 1170 CB HIS A 489 -53.566 -9.837 79.972 1.00 50.01 C ATOM 1171 CG HIS A 489 -54.429 -10.825 79.255 1.00 57.16 C ATOM 1172 ND1 HIS A 489 -55.671 -11.207 79.720 1.00 55.00 N ATOM 1173 CD2 HIS A 489 -54.236 -11.502 78.099 1.00 56.57 C ATOM 1174 CE1 HIS A 489 -56.198 -12.085 78.887 1.00 55.66 C ATOM 1175 NE2 HIS A 489 -55.346 -12.281 77.894 1.00 58.05 N ATOM 1176 H HIS A 489 -53.698 -9.296 82.743 1.00 0.00 H ATOM 1177 N LEU A 490 -51.187 -8.669 81.654 1.00 45.70 N ATOM 1178 CA LEU A 490 -50.025 -7.854 81.329 1.00 40.60 C ATOM 1179 C LEU A 490 -49.063 -7.676 82.498 1.00 42.12 C ATOM 1180 O LEU A 490 -49.444 -7.843 83.655 1.00 42.19 O ATOM 1181 CB LEU A 490 -50.494 -6.486 80.829 1.00 37.70 C ATOM 1182 CG LEU A 490 -51.562 -6.559 79.733 1.00 38.57 C ATOM 1183 CD1 LEU A 490 -52.090 -5.179 79.401 1.00 32.50 C ATOM 1184 CD2 LEU A 490 -51.003 -7.236 78.491 1.00 33.63 C ATOM 1185 H LEU A 490 -51.890 -8.315 82.334 1.00 0.00 H ATOM 1186 N LEU A 491 -47.813 -7.341 82.183 1.00 35.78 N ATOM 1187 CA LEU A 491 -46.842 -6.972 83.206 1.00 40.88 C ATOM 1188 C LEU A 491 -47.118 -5.560 83.705 1.00 38.77 C ATOM 1189 O LEU A 491 -47.630 -4.716 82.968 1.00 38.22 O ATOM 1190 CB LEU A 491 -45.408 -7.048 82.666 1.00 41.79 C ATOM 1191 CG LEU A 491 -44.829 -8.410 82.286 1.00 41.78 C ATOM 1192 CD1 LEU A 491 -43.354 -8.264 81.944 1.00 46.39 C ATOM 1193 CD2 LEU A 491 -45.042 -9.445 83.388 1.00 39.16 C ATOM 1194 H LEU A 491 -47.523 -7.343 81.184 1.00 0.00 H ATOM 1195 N LYS A 492 -46.757 -5.302 84.953 1.00 33.62 N ATOM 1196 CA LYS A 492 -46.872 -3.967 85.517 1.00 35.48 C ATOM 1197 C LYS A 492 -45.564 -3.188 85.318 1.00 37.53 C ATOM 1198 O LYS A 492 -44.534 -3.537 85.895 1.00 35.85 O ATOM 1199 CB LYS A 492 -47.241 -4.064 87.005 1.00 39.54 C ATOM 1200 CG LYS A 492 -47.599 -2.748 87.678 1.00 41.09 C ATOM 1201 CD LYS A 492 -48.110 -2.962 89.112 1.00 41.23 C ATOM 1202 CE LYS A 492 -48.521 -1.635 89.742 1.00 41.42 C ATOM 1203 NZ LYS A 492 -49.095 -1.773 91.115 1.00 45.29 N ATOM 1204 HZ1 LYS A 492 -49.943 -2.373 91.076 1.00 0.00 H ATOM 1205 HZ2 LYS A 492 -48.389 -2.208 91.742 1.00 0.00 H ATOM 1206 HZ3 LYS A 492 -49.351 -0.833 91.479 1.00 0.00 H ATOM 1207 H LYS A 492 -46.383 -6.072 85.543 1.00 0.00 H ATOM 1208 N ALA A 493 -45.602 -2.145 84.490 1.00 34.01 N ATOM 1209 CA ALA A 493 -44.436 -1.285 84.298 1.00 31.07 C ATOM 1210 C ALA A 493 -44.043 -0.572 85.600 1.00 33.40 C ATOM 1211 O ALA A 493 -44.891 -0.016 86.300 1.00 29.92 O ATOM 1212 CB ALA A 493 -44.701 -0.265 83.194 1.00 28.28 C ATOM 1213 H ALA A 493 -46.479 -1.939 83.970 1.00 0.00 H ATOM 1214 N GLY A 494 -42.751 -0.587 85.920 1.00 31.57 N ATOM 1215 CA GLY A 494 -42.276 0.058 87.129 1.00 27.67 C ATOM 1216 C GLY A 494 -42.774 -0.635 88.385 1.00 32.87 C ATOM 1217 O GLY A 494 -42.999 0.012 89.410 1.00 33.62 O ATOM 1218 H GLY A 494 -42.073 -1.068 85.295 1.00 0.00 H ATOM 1219 N ALA A 495 -42.946 -1.953 88.312 1.00 30.51 N ATOM 1220 CA ALA A 495 -43.427 -2.718 89.460 1.00 34.36 C ATOM 1221 C ALA A 495 -42.437 -2.650 90.624 1.00 33.15 C ATOM 1222 O ALA A 495 -42.832 -2.735 91.797 1.00 38.92 O ATOM 1223 CB ALA A 495 -43.679 -4.163 89.066 1.00 35.84 C ATOM 1224 H ALA A 495 -42.734 -2.447 87.422 1.00 0.00 H ATOM 1225 N ASN A 496 -41.157 -2.480 90.294 1.00 33.39 N ATOM 1226 CA ASN A 496 -40.077 -2.438 91.290 1.00 33.79 C ATOM 1227 C ASN A 496 -39.796 -1.021 91.777 1.00 36.72 C ATOM 1228 O ASN A 496 -38.761 -0.746 92.389 1.00 38.52 O ATOM 1229 CB ASN A 496 -38.796 -3.030 90.702 1.00 36.93 C ATOM 1230 CG ASN A 496 -38.328 -2.281 89.458 1.00 35.77 C ATOM 1231 OD1 ASN A 496 -39.091 -1.531 88.850 1.00 36.07 O ATOM 1232 ND2 ASN A 496 -37.069 -2.476 89.082 1.00 35.50 N ATOM 1233 HD22 ASN A 496 -36.458 -3.119 89.625 1.00 0.00 H ATOM 1234 HD21 ASN A 496 -36.694 -1.986 88.245 1.00 0.00 H ATOM 1235 H ASN A 496 -40.912 -2.372 89.289 1.00 0.00 H ATOM 1236 N ILE A 497 -40.717 -0.123 91.466 1.00 34.10 N ATOM 1237 CA ILE A 497 -40.590 1.293 91.763 1.00 30.87 C ATOM 1238 C ILE A 497 -41.655 1.701 92.786 1.00 33.54 C ATOM 1239 O ILE A 497 -42.843 1.432 92.593 1.00 30.78 O ATOM 1240 CB ILE A 497 -40.763 2.141 90.484 1.00 36.79 C ATOM 1241 CG1 ILE A 497 -39.689 1.806 89.443 1.00 32.08 C ATOM 1242 CG2 ILE A 497 -40.694 3.598 90.805 1.00 33.37 C ATOM 1243 CD1 ILE A 497 -39.831 2.591 88.143 1.00 32.10 C ATOM 1244 H ILE A 497 -41.578 -0.449 90.983 1.00 0.00 H ATOM 1245 N THR A 498 -41.236 2.346 93.868 1.00 30.01 N ATOM 1246 CA THR A 498 -42.181 2.867 94.856 1.00 27.86 C ATOM 1247 C THR A 498 -42.518 4.307 94.528 1.00 27.69 C ATOM 1248 O THR A 498 -41.647 5.164 94.539 1.00 29.34 O ATOM 1249 CB THR A 498 -41.620 2.806 96.302 1.00 33.05 C ATOM 1250 OG1 THR A 498 -41.383 1.444 96.676 1.00 33.38 O ATOM 1251 CG2 THR A 498 -42.613 3.430 97.266 1.00 30.21 C ATOM 1252 HG1 THR A 498 -42.233 0.939 96.633 1.00 0.00 H ATOM 1253 H THR A 498 -40.216 2.484 94.016 1.00 0.00 H ATOM 1254 N PRO A 499 -43.785 4.582 94.211 1.00 33.14 N ATOM 1255 CA PRO A 499 -44.125 5.942 93.792 1.00 32.28 C ATOM 1256 C PRO A 499 -43.817 6.995 94.837 1.00 35.37 C ATOM 1257 O PRO A 499 -43.719 6.728 96.026 1.00 37.44 O ATOM 1258 CB PRO A 499 -45.639 5.875 93.573 1.00 34.98 C ATOM 1259 CG PRO A 499 -45.902 4.443 93.257 1.00 37.21 C ATOM 1260 CD PRO A 499 -44.916 3.650 94.067 1.00 31.65 C ATOM 1261 N ARG A 500 -43.706 8.230 94.393 1.00 31.86 N ATOM 1262 CA ARG A 500 -43.776 9.320 95.327 1.00 34.21 C ATOM 1263 C ARG A 500 -45.212 9.400 95.840 1.00 39.85 C ATOM 1264 O ARG A 500 -46.059 8.535 95.588 1.00 39.26 O ATOM 1265 CB ARG A 500 -43.374 10.635 94.671 1.00 37.77 C ATOM 1266 CG ARG A 500 -42.827 11.732 95.571 1.00 41.65 C ATOM 1267 CD ARG A 500 -43.263 13.087 95.032 1.00 40.69 C ATOM 1268 NE ARG A 500 -43.068 13.145 93.591 1.00 46.25 N ATOM 1269 CZ ARG A 500 -43.629 14.040 92.787 1.00 40.63 C ATOM 1270 NH1 ARG A 500 -44.458 14.954 93.266 1.00 42.39 N ATOM 1271 NH2 ARG A 500 -43.373 13.997 91.492 1.00 46.51 N ATOM 1272 HE ARG A 500 -42.444 12.434 93.160 1.00 0.00 H ATOM 1273 HH12 ARG A 500 -44.891 15.650 92.626 1.00 0.00 H ATOM 1274 HH11 ARG A 500 -44.676 14.976 94.283 1.00 0.00 H ATOM 1275 HH22 ARG A 500 -43.807 14.693 90.853 1.00 0.00 H ATOM 1276 HH21 ARG A 500 -42.737 13.267 91.112 1.00 0.00 H ATOM 1277 H ARG A 500 -43.569 8.414 93.379 1.00 0.00 H ATOM 1278 N GLU A 501 -45.471 10.501 96.536 1.00 47.21 N ATOM 1279 CA GLU A 501 -46.497 10.557 97.598 1.00 47.18 C ATOM 1280 C GLU A 501 -47.849 11.183 97.264 1.00 48.76 C ATOM 1281 O GLU A 501 -48.810 10.472 96.984 1.00 51.19 O ATOM 1282 CB GLU A 501 -45.861 11.246 98.824 1.00 54.04 C ATOM 1283 CG GLU A 501 -44.306 11.208 98.912 1.00 57.94 C ATOM 1284 CD GLU A 501 -43.707 9.813 98.950 1.00 61.05 C ATOM 1285 OE1 GLU A 501 -44.422 8.860 99.307 1.00 65.02 O ATOM 1286 OE2 GLU A 501 -42.494 9.659 98.668 1.00 47.41 O ATOM 1287 H GLU A 501 -44.928 11.362 96.324 1.00 0.00 H ATOM 1288 N GLY A 502 -47.892 12.496 97.306 1.00 49.18 N ATOM 1289 CA GLY A 502 -49.123 13.193 97.088 1.00 52.29 C ATOM 1290 C GLY A 502 -50.002 13.053 98.316 1.00 55.06 C ATOM 1291 O GLY A 502 -49.810 12.141 99.124 1.00 48.21 O ATOM 1292 H GLY A 502 -47.023 13.034 97.500 1.00 0.00 H ATOM 1293 N ASP A 503 -50.977 13.944 98.461 1.00 58.13 N ATOM 1294 CA ASP A 503 -51.738 14.013 99.698 1.00 60.25 C ATOM 1295 C ASP A 503 -52.826 12.951 99.782 1.00 53.73 C ATOM 1296 O ASP A 503 -53.304 12.435 98.764 1.00 52.27 O ATOM 1297 CB ASP A 503 -52.343 15.403 99.859 1.00 61.05 C ATOM 1298 CG ASP A 503 -52.165 15.945 101.259 1.00 66.07 C ATOM 1299 OD1 ASP A 503 -52.257 15.146 102.220 1.00 66.19 O ATOM 1300 OD2 ASP A 503 -51.936 17.165 101.403 1.00 67.79 O ATOM 1301 H ASP A 503 -51.198 14.598 97.683 1.00 0.00 H ATOM 1302 N GLU A 504 -53.186 12.661 101.032 1.00 55.96 N ATOM 1303 CA GLU A 504 -54.184 11.675 101.461 1.00 57.38 C ATOM 1304 C GLU A 504 -55.329 11.389 100.485 1.00 54.48 C ATOM 1305 O GLU A 504 -55.397 10.320 99.876 1.00 61.97 O ATOM 1306 CB GLU A 504 -54.798 12.140 102.792 1.00 57.12 C ATOM 1307 CG GLU A 504 -55.007 11.058 103.846 1.00 60.37 C ATOM 1308 CD GLU A 504 -53.793 10.841 104.726 1.00 62.18 C ATOM 1309 OE1 GLU A 504 -53.114 11.838 105.068 1.00 59.57 O ATOM 1310 OE2 GLU A 504 -53.521 9.675 105.083 1.00 69.90 O ATOM 1311 H GLU A 504 -52.707 13.192 101.787 1.00 0.00 H ATOM 1312 N LEU A 505 -56.237 12.346 100.360 1.00 47.23 N ATOM 1313 CA LEU A 505 -57.481 12.135 99.621 1.00 47.43 C ATOM 1314 C LEU A 505 -57.487 12.825 98.265 1.00 44.04 C ATOM 1315 O LEU A 505 -58.525 13.294 97.807 1.00 46.38 O ATOM 1316 CB LEU A 505 -58.670 12.621 100.451 1.00 41.57 C ATOM 1317 CG LEU A 505 -58.954 11.883 101.760 1.00 48.09 C ATOM 1318 CD1 LEU A 505 -59.371 12.854 102.855 1.00 40.72 C ATOM 1319 CD2 LEU A 505 -60.050 10.851 101.518 1.00 43.28 C ATOM 1320 H LEU A 505 -56.060 13.272 100.799 1.00 0.00 H ATOM 1321 N ALA A 506 -56.329 12.865 97.617 1.00 46.14 N ATOM 1322 CA ALA A 506 -56.186 13.538 96.329 1.00 43.77 C ATOM 1323 C ALA A 506 -56.962 12.841 95.213 1.00 40.92 C ATOM 1324 O ALA A 506 -57.233 11.641 95.278 1.00 39.67 O ATOM 1325 CB ALA A 506 -54.710 13.641 95.955 1.00 41.55 C ATOM 1326 H ALA A 506 -55.499 12.403 98.039 1.00 0.00 H ATOM 1327 N ARG A 507 -57.308 13.606 94.183 1.00 41.69 N ATOM 1328 CA ARG A 507 -57.979 13.062 93.007 1.00 40.30 C ATOM 1329 C ARG A 507 -56.949 12.516 92.011 1.00 36.15 C ATOM 1330 O ARG A 507 -55.832 13.027 91.920 1.00 38.28 O ATOM 1331 CB ARG A 507 -58.849 14.133 92.338 1.00 40.76 C ATOM 1332 CG ARG A 507 -60.058 14.600 93.157 1.00 40.00 C ATOM 1333 CD ARG A 507 -61.215 13.626 93.052 1.00 45.18 C ATOM 1334 NE ARG A 507 -62.374 14.035 93.844 1.00 47.28 N ATOM 1335 CZ ARG A 507 -63.334 13.203 94.241 1.00 45.07 C ATOM 1336 NH1 ARG A 507 -64.362 13.648 94.958 1.00 42.93 N ATOM 1337 NH2 ARG A 507 -63.262 11.915 93.927 1.00 42.76 N ATOM 1338 HE ARG A 507 -62.453 15.036 94.113 1.00 0.00 H ATOM 1339 HH12 ARG A 507 -65.107 12.990 95.263 1.00 0.00 H ATOM 1340 HH11 ARG A 507 -64.421 14.654 95.213 1.00 0.00 H ATOM 1341 HH22 ARG A 507 -64.010 11.262 94.235 1.00 0.00 H ATOM 1342 HH21 ARG A 507 -62.457 11.559 93.373 1.00 0.00 H ATOM 1343 H ARG A 507 -57.094 14.623 94.216 1.00 0.00 H ATOM 1344 N LEU A 508 -57.322 11.478 91.269 1.00 33.65 N ATOM 1345 CA LEU A 508 -56.436 10.912 90.249 1.00 32.09 C ATOM 1346 C LEU A 508 -56.386 11.795 89.014 1.00 29.77 C ATOM 1347 O LEU A 508 -57.362 12.475 88.692 1.00 31.06 O ATOM 1348 CB LEU A 508 -56.896 9.513 89.846 1.00 32.73 C ATOM 1349 CG LEU A 508 -56.824 8.414 90.898 1.00 33.90 C ATOM 1350 CD1 LEU A 508 -57.599 7.210 90.439 1.00 30.58 C ATOM 1351 CD2 LEU A 508 -55.362 8.044 91.187 1.00 30.41 C ATOM 1352 H LEU A 508 -58.262 11.059 91.416 1.00 0.00 H ATOM 1353 N PRO A 509 -55.248 11.782 88.307 1.00 32.43 N ATOM 1354 CA PRO A 509 -55.235 12.400 86.981 1.00 29.15 C ATOM 1355 C PRO A 509 -55.912 11.475 85.969 1.00 29.30 C ATOM 1356 O PRO A 509 -56.185 10.320 86.293 1.00 30.92 O ATOM 1357 CB PRO A 509 -53.741 12.556 86.692 1.00 29.35 C ATOM 1358 CG PRO A 509 -53.122 11.378 87.390 1.00 30.80 C ATOM 1359 CD PRO A 509 -53.957 11.152 88.639 1.00 31.41 C ATOM 1360 N TYR A 510 -56.175 11.965 84.764 1.00 26.05 N ATOM 1361 CA TYR A 510 -56.746 11.125 83.721 1.00 28.44 C ATOM 1362 C TYR A 510 -55.888 11.219 82.469 1.00 28.16 C ATOM 1363 O TYR A 510 -55.095 12.149 82.331 1.00 28.74 O ATOM 1364 CB TYR A 510 -58.202 11.539 83.424 1.00 24.83 C ATOM 1365 CG TYR A 510 -58.348 12.971 82.966 1.00 25.23 C ATOM 1366 CD1 TYR A 510 -58.194 13.316 81.622 1.00 26.01 C ATOM 1367 CD2 TYR A 510 -58.634 13.981 83.877 1.00 27.89 C ATOM 1368 CE1 TYR A 510 -58.311 14.628 81.203 1.00 27.87 C ATOM 1369 CE2 TYR A 510 -58.763 15.294 83.464 1.00 30.67 C ATOM 1370 CZ TYR A 510 -58.603 15.612 82.133 1.00 28.54 C ATOM 1371 OH TYR A 510 -58.735 16.920 81.721 1.00 38.38 O ATOM 1372 HH TYR A 510 -59.645 17.243 81.939 1.00 0.00 H ATOM 1373 H TYR A 510 -55.970 12.964 84.562 1.00 0.00 H ATOM 1374 N LEU A 511 -56.043 10.262 81.559 1.00 25.12 N ATOM 1375 CA LEU A 511 -55.296 10.305 80.315 1.00 26.85 C ATOM 1376 C LEU A 511 -55.887 11.377 79.421 1.00 27.41 C ATOM 1377 O LEU A 511 -57.035 11.263 78.969 1.00 27.33 O ATOM 1378 CB LEU A 511 -55.319 8.955 79.613 1.00 27.62 C ATOM 1379 CG LEU A 511 -54.472 8.887 78.339 1.00 26.36 C ATOM 1380 CD1 LEU A 511 -52.978 9.042 78.678 1.00 27.87 C ATOM 1381 CD2 LEU A 511 -54.729 7.582 77.649 1.00 26.82 C ATOM 1382 H LEU A 511 -56.703 9.479 81.739 1.00 0.00 H ATOM 1383 N ARG A 512 -55.131 12.433 79.169 1.00 26.39 N ATOM 1384 CA ARG A 512 -55.668 13.484 78.323 1.00 35.95 C ATOM 1385 C ARG A 512 -55.655 13.061 76.858 1.00 33.71 C ATOM 1386 O ARG A 512 -56.644 13.221 76.137 1.00 30.80 O ATOM 1387 CB ARG A 512 -54.899 14.785 78.495 1.00 32.93 C ATOM 1388 CG ARG A 512 -55.640 15.922 77.826 1.00 45.93 C ATOM 1389 CD ARG A 512 -55.178 17.261 78.327 1.00 52.12 C ATOM 1390 NE ARG A 512 -55.957 18.394 77.814 1.00 55.09 N ATOM 1391 CZ ARG A 512 -57.287 18.512 77.839 1.00 58.28 C ATOM 1392 NH1 ARG A 512 -57.848 19.601 77.330 1.00 62.40 N ATOM 1393 NH2 ARG A 512 -58.067 17.586 78.396 1.00 54.36 N ATOM 1394 HE ARG A 512 -55.423 19.180 77.391 1.00 0.00 H ATOM 1395 HH12 ARG A 512 -58.882 19.707 77.342 1.00 0.00 H ATOM 1396 HH11 ARG A 512 -57.253 20.349 76.919 1.00 0.00 H ATOM 1397 HH22 ARG A 512 -59.100 17.709 78.398 1.00 0.00 H ATOM 1398 HH21 ARG A 512 -57.643 16.740 78.828 1.00 0.00 H ATOM 1399 H ARG A 512 -54.174 12.509 79.568 1.00 0.00 H ATOM 1400 N THR A 513 -54.530 12.508 76.427 1.00 28.84 N ATOM 1401 CA THR A 513 -54.414 12.025 75.063 1.00 32.27 C ATOM 1402 C THR A 513 -53.281 11.020 74.954 1.00 32.44 C ATOM 1403 O THR A 513 -52.414 10.911 75.838 1.00 28.57 O ATOM 1404 CB THR A 513 -54.175 13.175 74.063 1.00 38.19 C ATOM 1405 OG1 THR A 513 -54.327 12.688 72.721 1.00 47.35 O ATOM 1406 CG2 THR A 513 -52.788 13.732 74.227 1.00 39.60 C ATOM 1407 HG1 THR A 513 -54.173 13.429 72.083 1.00 0.00 H ATOM 1408 H THR A 513 -53.721 12.419 77.074 1.00 0.00 H ATOM 1409 N TRP A 514 -53.311 10.270 73.864 1.00 27.69 N ATOM 1410 CA TRP A 514 -52.283 9.299 73.585 1.00 29.31 C ATOM 1411 C TRP A 514 -52.161 9.155 72.081 1.00 29.76 C ATOM 1412 O TRP A 514 -53.095 9.478 71.341 1.00 25.82 O ATOM 1413 CB TRP A 514 -52.616 7.950 74.223 1.00 28.42 C ATOM 1414 CG TRP A 514 -53.738 7.269 73.535 1.00 32.70 C ATOM 1415 CD1 TRP A 514 -55.074 7.534 73.686 1.00 29.13 C ATOM 1416 CD2 TRP A 514 -53.645 6.216 72.563 1.00 28.08 C ATOM 1417 NE1 TRP A 514 -55.812 6.714 72.873 1.00 28.30 N ATOM 1418 CE2 TRP A 514 -54.965 5.895 72.170 1.00 31.34 C ATOM 1419 CE3 TRP A 514 -52.577 5.519 71.982 1.00 30.36 C ATOM 1420 CZ2 TRP A 514 -55.248 4.902 71.229 1.00 28.79 C ATOM 1421 CZ3 TRP A 514 -52.859 4.532 71.045 1.00 33.07 C ATOM 1422 CH2 TRP A 514 -54.188 4.232 70.682 1.00 33.81 C ATOM 1423 HE1 TRP A 514 -56.849 6.713 72.800 1.00 0.00 H ATOM 1424 H TRP A 514 -54.096 10.384 73.192 1.00 0.00 H ATOM 1425 N PHE A 515 -51.011 8.676 71.637 1.00 23.47 N ATOM 1426 CA PHE A 515 -50.876 8.182 70.266 1.00 28.32 C ATOM 1427 C PHE A 515 -49.737 7.193 70.206 1.00 30.66 C ATOM 1428 O PHE A 515 -48.895 7.131 71.113 1.00 25.93 O ATOM 1429 CB PHE A 515 -50.675 9.321 69.261 1.00 27.73 C ATOM 1430 CG PHE A 515 -49.461 10.170 69.521 1.00 31.28 C ATOM 1431 CD1 PHE A 515 -48.231 9.842 68.965 1.00 31.31 C ATOM 1432 CD2 PHE A 515 -49.555 11.313 70.299 1.00 35.04 C ATOM 1433 CE1 PHE A 515 -47.113 10.627 69.202 1.00 36.71 C ATOM 1434 CE2 PHE A 515 -48.440 12.104 70.541 1.00 33.34 C ATOM 1435 CZ PHE A 515 -47.221 11.763 69.991 1.00 32.35 C ATOM 1436 H PHE A 515 -50.189 8.650 72.273 1.00 0.00 H ATOM 1437 N ARG A 516 -49.739 6.402 69.141 1.00 31.11 N ATOM 1438 CA ARG A 516 -48.698 5.410 68.894 1.00 30.78 C ATOM 1439 C ARG A 516 -47.903 5.767 67.636 1.00 27.60 C ATOM 1440 O ARG A 516 -48.491 6.168 66.634 1.00 28.50 O ATOM 1441 CB ARG A 516 -49.322 4.014 68.747 1.00 34.02 C ATOM 1442 CG ARG A 516 -48.712 3.217 67.598 1.00 46.03 C ATOM 1443 CD ARG A 516 -49.424 1.900 67.296 1.00 48.32 C ATOM 1444 NE ARG A 516 -48.918 1.295 66.055 1.00 56.02 N ATOM 1445 CZ ARG A 516 -47.653 0.924 65.824 1.00 53.97 C ATOM 1446 NH1 ARG A 516 -47.333 0.399 64.645 1.00 46.29 N ATOM 1447 NH2 ARG A 516 -46.703 1.057 66.752 1.00 43.17 N ATOM 1448 HE ARG A 516 -49.604 1.142 65.289 1.00 0.00 H ATOM 1449 HH12 ARG A 516 -46.353 0.107 64.454 1.00 0.00 H ATOM 1450 HH11 ARG A 516 -48.063 0.280 63.913 1.00 0.00 H ATOM 1451 HH22 ARG A 516 -45.728 0.760 66.544 1.00 0.00 H ATOM 1452 HH21 ARG A 516 -46.938 1.458 67.683 1.00 0.00 H ATOM 1453 H ARG A 516 -50.514 6.493 68.454 1.00 0.00 H ATOM 1454 N THR A 517 -46.576 5.651 67.703 1.00 28.33 N ATOM 1455 CA THR A 517 -45.745 5.700 66.494 1.00 29.35 C ATOM 1456 C THR A 517 -45.106 4.334 66.289 1.00 29.07 C ATOM 1457 O THR A 517 -45.356 3.400 67.053 1.00 26.90 O ATOM 1458 CB THR A 517 -44.661 6.791 66.570 1.00 32.95 C ATOM 1459 OG1 THR A 517 -43.632 6.402 67.497 1.00 26.27 O ATOM 1460 CG2 THR A 517 -45.285 8.130 66.994 1.00 31.92 C ATOM 1461 HG1 THR A 517 -42.941 7.110 67.538 1.00 0.00 H ATOM 1462 H THR A 517 -46.121 5.523 68.630 1.00 0.00 H ATOM 1463 N ARG A 518 -44.289 4.200 65.252 1.00 26.50 N ATOM 1464 CA ARG A 518 -43.596 2.943 65.039 1.00 29.19 C ATOM 1465 C ARG A 518 -42.654 2.650 66.226 1.00 28.86 C ATOM 1466 O ARG A 518 -42.477 1.498 66.623 1.00 31.45 O ATOM 1467 CB ARG A 518 -42.826 2.980 63.705 1.00 26.44 C ATOM 1468 CG ARG A 518 -41.754 1.921 63.538 1.00 30.59 C ATOM 1469 CD ARG A 518 -42.298 0.497 63.624 1.00 32.06 C ATOM 1470 NE ARG A 518 -43.595 0.320 62.985 1.00 33.34 N ATOM 1471 CZ ARG A 518 -44.150 -0.869 62.761 1.00 40.62 C ATOM 1472 NH1 ARG A 518 -43.505 -1.977 63.110 1.00 39.70 N ATOM 1473 NH2 ARG A 518 -45.338 -0.955 62.176 1.00 35.85 N ATOM 1474 HE ARG A 518 -44.116 1.169 62.687 1.00 0.00 H ATOM 1475 HH12 ARG A 518 -43.937 -2.907 62.936 1.00 0.00 H ATOM 1476 HH11 ARG A 518 -42.568 -1.914 63.557 1.00 0.00 H ATOM 1477 HH22 ARG A 518 -45.767 -1.887 62.004 1.00 0.00 H ATOM 1478 HH21 ARG A 518 -45.841 -0.091 61.890 1.00 0.00 H ATOM 1479 H ARG A 518 -44.146 4.993 64.594 1.00 0.00 H ATOM 1480 N SER A 519 -42.081 3.699 66.805 1.00 25.66 N ATOM 1481 CA SER A 519 -41.075 3.537 67.859 1.00 24.16 C ATOM 1482 C SER A 519 -41.666 3.432 69.283 1.00 24.30 C ATOM 1483 O SER A 519 -41.058 2.824 70.170 1.00 25.57 O ATOM 1484 CB SER A 519 -40.081 4.702 67.810 1.00 29.33 C ATOM 1485 OG SER A 519 -39.407 4.777 66.557 1.00 31.89 O ATOM 1486 HG SER A 519 -40.071 4.906 65.834 1.00 0.00 H ATOM 1487 H SER A 519 -42.352 4.657 66.504 1.00 0.00 H ATOM 1488 N ALA A 520 -42.828 4.027 69.510 1.00 24.27 N ATOM 1489 CA ALA A 520 -43.330 4.147 70.890 1.00 23.73 C ATOM 1490 C ALA A 520 -44.814 4.454 71.006 1.00 25.13 C ATOM 1491 O ALA A 520 -45.460 4.864 70.050 1.00 27.00 O ATOM 1492 CB ALA A 520 -42.556 5.221 71.626 1.00 23.94 C ATOM 1493 H ALA A 520 -43.383 4.408 68.717 1.00 0.00 H ATOM 1494 N ILE A 521 -45.340 4.255 72.210 1.00 24.95 N ATOM 1495 CA ILE A 521 -46.649 4.777 72.559 1.00 22.12 C ATOM 1496 C ILE A 521 -46.414 5.959 73.503 1.00 26.85 C ATOM 1497 O ILE A 521 -45.543 5.921 74.389 1.00 24.69 O ATOM 1498 CB ILE A 521 -47.561 3.699 73.188 1.00 25.63 C ATOM 1499 CG1 ILE A 521 -48.982 4.252 73.383 1.00 28.99 C ATOM 1500 CG2 ILE A 521 -46.964 3.156 74.481 1.00 27.18 C ATOM 1501 CD1 ILE A 521 -49.960 3.285 74.027 1.00 30.21 C ATOM 1502 H ILE A 521 -44.803 3.714 72.917 1.00 0.00 H ATOM 1503 N ILE A 522 -47.128 7.041 73.239 1.00 23.13 N ATOM 1504 CA ILE A 522 -46.979 8.280 73.981 1.00 21.48 C ATOM 1505 C ILE A 522 -48.259 8.501 74.771 1.00 27.42 C ATOM 1506 O ILE A 522 -49.363 8.419 74.223 1.00 25.14 O ATOM 1507 CB ILE A 522 -46.698 9.489 73.053 1.00 26.54 C ATOM 1508 CG1 ILE A 522 -45.272 9.413 72.479 1.00 28.87 C ATOM 1509 CG2 ILE A 522 -46.882 10.796 73.806 1.00 25.13 C ATOM 1510 CD1 ILE A 522 -45.096 8.410 71.331 1.00 26.35 C ATOM 1511 H ILE A 522 -47.825 7.002 72.468 1.00 0.00 H ATOM 1512 N LEU A 523 -48.098 8.765 76.061 1.00 24.49 N ATOM 1513 CA LEU A 523 -49.224 8.924 76.985 1.00 23.72 C ATOM 1514 C LEU A 523 -49.143 10.248 77.737 1.00 27.64 C ATOM 1515 O LEU A 523 -48.139 10.537 78.414 1.00 27.70 O ATOM 1516 CB LEU A 523 -49.239 7.767 77.977 1.00 25.75 C ATOM 1517 CG LEU A 523 -49.408 6.398 77.322 1.00 28.58 C ATOM 1518 CD1 LEU A 523 -48.672 5.327 78.103 1.00 25.23 C ATOM 1519 CD2 LEU A 523 -50.900 6.073 77.217 1.00 28.98 C ATOM 1520 H LEU A 523 -47.132 8.863 76.432 1.00 0.00 H ATOM 1521 N HIS A 524 -50.193 11.052 77.608 1.00 23.81 N ATOM 1522 CA HIS A 524 -50.250 12.357 78.255 1.00 26.25 C ATOM 1523 C HIS A 524 -51.267 12.406 79.390 1.00 28.06 C ATOM 1524 O HIS A 524 -52.476 12.358 79.150 1.00 26.12 O ATOM 1525 CB HIS A 524 -50.606 13.429 77.235 1.00 30.44 C ATOM 1526 CG HIS A 524 -50.587 14.820 77.787 1.00 31.56 C ATOM 1527 ND1 HIS A 524 -51.023 15.909 77.064 1.00 42.09 N ATOM 1528 CD2 HIS A 524 -50.120 15.310 78.958 1.00 37.10 C ATOM 1529 CE1 HIS A 524 -50.875 17.004 77.788 1.00 41.11 C ATOM 1530 NE2 HIS A 524 -50.333 16.666 78.946 1.00 37.44 N ATOM 1531 H HIS A 524 -50.998 10.741 77.028 1.00 0.00 H ATOM 1532 N LEU A 525 -50.784 12.524 80.619 1.00 24.43 N ATOM 1533 CA LEU A 525 -51.674 12.575 81.785 1.00 29.68 C ATOM 1534 C LEU A 525 -52.087 14.010 82.079 1.00 30.56 C ATOM 1535 O LEU A 525 -51.335 14.946 81.799 1.00 33.73 O ATOM 1536 CB LEU A 525 -51.000 11.972 83.020 1.00 30.84 C ATOM 1537 CG LEU A 525 -50.909 10.445 83.092 1.00 32.99 C ATOM 1538 CD1 LEU A 525 -50.237 9.994 84.383 1.00 30.23 C ATOM 1539 CD2 LEU A 525 -52.278 9.815 82.962 1.00 31.98 C ATOM 1540 H LEU A 525 -49.755 12.582 80.760 1.00 0.00 H ATOM 1541 N SER A 526 -53.269 14.182 82.662 1.00 29.18 N ATOM 1542 CA SER A 526 -53.795 15.519 82.933 1.00 34.83 C ATOM 1543 C SER A 526 -53.019 16.300 83.997 1.00 34.15 C ATOM 1544 O SER A 526 -53.273 17.491 84.189 1.00 34.65 O ATOM 1545 CB SER A 526 -55.258 15.435 83.358 1.00 29.88 C ATOM 1546 OG SER A 526 -55.412 14.538 84.436 1.00 29.26 O ATOM 1547 HG SER A 526 -55.105 13.638 84.161 1.00 0.00 H ATOM 1548 H SER A 526 -53.831 13.349 82.931 1.00 0.00 H ATOM 1549 N ASN A 527 -52.091 15.637 84.690 1.00 34.96 N ATOM 1550 CA ASN A 527 -51.266 16.300 85.699 1.00 32.17 C ATOM 1551 C ASN A 527 -49.923 16.795 85.146 1.00 35.98 C ATOM 1552 O ASN A 527 -49.032 17.182 85.910 1.00 35.42 O ATOM 1553 CB ASN A 527 -51.027 15.355 86.881 1.00 34.19 C ATOM 1554 CG ASN A 527 -50.088 14.201 86.538 1.00 32.59 C ATOM 1555 OD1 ASN A 527 -49.713 13.994 85.376 1.00 30.20 O ATOM 1556 ND2 ASN A 527 -49.742 13.414 87.549 1.00 34.18 N ATOM 1557 HD22 ASN A 527 -50.079 13.624 88.510 1.00 0.00 H ATOM 1558 HD21 ASN A 527 -49.134 12.587 87.380 1.00 0.00 H ATOM 1559 H ASN A 527 -51.951 14.623 84.508 1.00 0.00 H ATOM 1560 N GLY A 528 -49.778 16.756 83.822 1.00 35.41 N ATOM 1561 CA GLY A 528 -48.581 17.253 83.163 1.00 34.27 C ATOM 1562 C GLY A 528 -47.627 16.171 82.685 1.00 34.50 C ATOM 1563 O GLY A 528 -46.773 16.411 81.822 1.00 30.45 O ATOM 1564 H GLY A 528 -50.544 16.358 83.242 1.00 0.00 H ATOM 1565 N THR A 529 -47.774 14.970 83.231 1.00 31.45 N ATOM 1566 CA THR A 529 -46.829 13.897 82.952 1.00 25.22 C ATOM 1567 C THR A 529 -46.991 13.360 81.530 1.00 28.69 C ATOM 1568 O THR A 529 -48.116 13.145 81.045 1.00 26.57 O ATOM 1569 CB THR A 529 -46.980 12.748 83.976 1.00 31.68 C ATOM 1570 OG1 THR A 529 -46.585 13.214 85.276 1.00 31.18 O ATOM 1571 CG2 THR A 529 -46.109 11.560 83.593 1.00 25.61 C ATOM 1572 HG1 THR A 529 -46.681 12.479 85.932 1.00 0.00 H ATOM 1573 H THR A 529 -48.577 14.792 83.868 1.00 0.00 H ATOM 1574 N VAL A 530 -45.855 13.194 80.851 1.00 23.07 N ATOM 1575 CA VAL A 530 -45.812 12.537 79.548 1.00 22.51 C ATOM 1576 C VAL A 530 -44.941 11.289 79.647 1.00 23.61 C ATOM 1577 O VAL A 530 -43.755 11.349 80.045 1.00 23.89 O ATOM 1578 CB VAL A 530 -45.262 13.465 78.441 1.00 25.24 C ATOM 1579 CG1 VAL A 530 -45.334 12.779 77.091 1.00 25.56 C ATOM 1580 CG2 VAL A 530 -46.039 14.770 78.402 1.00 27.85 C ATOM 1581 H VAL A 530 -44.968 13.545 81.265 1.00 0.00 H ATOM 1582 N GLN A 531 -45.543 10.158 79.313 1.00 21.93 N ATOM 1583 CA GLN A 531 -44.855 8.877 79.318 1.00 22.81 C ATOM 1584 C GLN A 531 -44.672 8.339 77.899 1.00 23.43 C ATOM 1585 O GLN A 531 -45.605 8.345 77.082 1.00 24.44 O ATOM 1586 CB GLN A 531 -45.626 7.866 80.163 1.00 20.76 C ATOM 1587 CG GLN A 531 -45.040 6.459 80.192 1.00 19.72 C ATOM 1588 CD GLN A 531 -45.673 5.639 81.297 1.00 21.41 C ATOM 1589 OE1 GLN A 531 -46.312 6.199 82.167 1.00 24.89 O ATOM 1590 NE2 GLN A 531 -45.499 4.317 81.267 1.00 22.80 N ATOM 1591 HE22 GLN A 531 -44.944 3.883 80.502 1.00 0.00 H ATOM 1592 HE21 GLN A 531 -45.918 3.720 82.008 1.00 0.00 H ATOM 1593 H GLN A 531 -46.545 10.187 79.037 1.00 0.00 H ATOM 1594 N ILE A 532 -43.459 7.871 77.624 1.00 21.88 N ATOM 1595 CA ILE A 532 -43.115 7.296 76.338 1.00 22.35 C ATOM 1596 C ILE A 532 -42.575 5.884 76.557 1.00 22.57 C ATOM 1597 O ILE A 532 -41.511 5.702 77.146 1.00 19.72 O ATOM 1598 CB ILE A 532 -42.093 8.190 75.608 1.00 25.05 C ATOM 1599 CG1 ILE A 532 -42.604 9.633 75.600 1.00 28.54 C ATOM 1600 CG2 ILE A 532 -41.834 7.689 74.185 1.00 24.47 C ATOM 1601 CD1 ILE A 532 -41.773 10.614 74.834 1.00 28.62 C ATOM 1602 H ILE A 532 -42.727 7.919 78.361 1.00 0.00 H ATOM 1603 N ASN A 533 -43.329 4.881 76.118 1.00 19.39 N ATOM 1604 CA ASN A 533 -42.861 3.495 76.186 1.00 24.26 C ATOM 1605 C ASN A 533 -42.359 3.051 74.816 1.00 24.53 C ATOM 1606 O ASN A 533 -43.146 2.955 73.895 1.00 21.47 O ATOM 1607 CB ASN A 533 -43.958 2.528 76.623 1.00 23.37 C ATOM 1608 CG ASN A 533 -44.468 2.770 78.053 1.00 24.93 C ATOM 1609 OD1 ASN A 533 -44.014 3.660 78.769 1.00 23.39 O ATOM 1610 ND2 ASN A 533 -45.445 1.968 78.448 1.00 27.45 N ATOM 1611 HD22 ASN A 533 -45.800 1.227 77.810 1.00 0.00 H ATOM 1612 HD21 ASN A 533 -45.857 2.079 79.396 1.00 0.00 H ATOM 1613 H ASN A 533 -44.268 5.084 75.719 1.00 0.00 H ATOM 1614 N PHE A 534 -41.069 2.744 74.703 1.00 23.47 N ATOM 1615 CA PHE A 534 -40.488 2.317 73.425 1.00 25.31 C ATOM 1616 C PHE A 534 -40.740 0.834 73.145 1.00 31.48 C ATOM 1617 O PHE A 534 -40.526 -0.018 74.004 1.00 30.22 O ATOM 1618 CB PHE A 534 -38.996 2.635 73.402 1.00 25.01 C ATOM 1619 CG PHE A 534 -38.717 4.105 73.390 1.00 25.26 C ATOM 1620 CD1 PHE A 534 -38.612 4.794 72.190 1.00 26.48 C ATOM 1621 CD2 PHE A 534 -38.633 4.814 74.578 1.00 26.60 C ATOM 1622 CE1 PHE A 534 -38.399 6.157 72.178 1.00 28.64 C ATOM 1623 CE2 PHE A 534 -38.424 6.180 74.572 1.00 27.48 C ATOM 1624 CZ PHE A 534 -38.307 6.851 73.368 1.00 23.82 C ATOM 1625 H PHE A 534 -40.457 2.808 75.542 1.00 0.00 H ATOM 1626 N PHE A 535 -41.213 0.538 71.936 1.00 26.36 N ATOM 1627 CA PHE A 535 -41.655 -0.815 71.595 1.00 30.36 C ATOM 1628 C PHE A 535 -40.532 -1.842 71.443 1.00 32.40 C ATOM 1629 O PHE A 535 -40.668 -2.989 71.873 1.00 36.25 O ATOM 1630 CB PHE A 535 -42.477 -0.792 70.302 1.00 35.65 C ATOM 1631 CG PHE A 535 -43.853 -0.212 70.467 1.00 31.54 C ATOM 1632 CD1 PHE A 535 -44.772 -0.818 71.296 1.00 34.44 C ATOM 1633 CD2 PHE A 535 -44.238 0.915 69.760 1.00 31.96 C ATOM 1634 CE1 PHE A 535 -46.045 -0.293 71.444 1.00 28.53 C ATOM 1635 CE2 PHE A 535 -45.513 1.444 69.901 1.00 29.99 C ATOM 1636 CZ PHE A 535 -46.410 0.837 70.752 1.00 30.27 C ATOM 1637 H PHE A 535 -41.270 1.287 71.216 1.00 0.00 H ATOM 1638 N GLN A 536 -39.424 -1.442 70.834 1.00 32.89 N ATOM 1639 CA GLN A 536 -38.407 -2.419 70.455 1.00 40.57 C ATOM 1640 C GLN A 536 -37.648 -3.011 71.648 1.00 36.76 C ATOM 1641 O GLN A 536 -37.360 -4.210 71.659 1.00 40.02 O ATOM 1642 CB GLN A 536 -37.418 -1.799 69.464 1.00 41.37 C ATOM 1643 CG GLN A 536 -36.334 -2.764 68.997 1.00 44.94 C ATOM 1644 CD GLN A 536 -35.726 -2.347 67.677 1.00 54.29 C ATOM 1645 OE1 GLN A 536 -36.348 -1.627 66.896 1.00 62.69 O ATOM 1646 NE2 GLN A 536 -34.513 -2.810 67.409 1.00 54.66 N ATOM 1647 HE22 GLN A 536 -34.024 -3.416 68.098 1.00 0.00 H ATOM 1648 HE21 GLN A 536 -34.051 -2.567 66.509 1.00 0.00 H ATOM 1649 H GLN A 536 -39.279 -0.433 70.626 1.00 0.00 H ATOM 1650 N ASP A 537 -37.344 -2.191 72.653 1.00 31.80 N ATOM 1651 CA ASP A 537 -36.511 -2.650 73.772 1.00 32.74 C ATOM 1652 C ASP A 537 -37.137 -2.430 75.147 1.00 30.39 C ATOM 1653 O ASP A 537 -36.462 -2.585 76.164 1.00 30.73 O ATOM 1654 CB ASP A 537 -35.139 -1.963 73.746 1.00 32.36 C ATOM 1655 CG ASP A 537 -35.232 -0.441 73.834 1.00 34.96 C ATOM 1656 OD1 ASP A 537 -36.326 0.102 74.109 1.00 34.28 O ATOM 1657 OD2 ASP A 537 -34.191 0.221 73.669 1.00 40.92 O ATOM 1658 H ASP A 537 -37.701 -1.214 72.645 1.00 0.00 H ATOM 1659 N HIS A 538 -38.405 -2.027 75.161 1.00 31.58 N ATOM 1660 CA HIS A 538 -39.180 -1.868 76.396 1.00 31.45 C ATOM 1661 C HIS A 538 -38.607 -0.850 77.369 1.00 31.51 C ATOM 1662 O HIS A 538 -38.950 -0.857 78.562 1.00 30.75 O ATOM 1663 CB HIS A 538 -39.339 -3.230 77.079 1.00 30.78 C ATOM 1664 CG HIS A 538 -39.737 -4.308 76.122 1.00 39.58 C ATOM 1665 ND1 HIS A 538 -40.996 -4.370 75.565 1.00 35.75 N ATOM 1666 CD2 HIS A 538 -39.037 -5.337 75.587 1.00 37.20 C ATOM 1667 CE1 HIS A 538 -41.059 -5.394 74.733 1.00 38.81 C ATOM 1668 NE2 HIS A 538 -39.886 -6.001 74.732 1.00 45.01 N ATOM 1669 H HIS A 538 -38.868 -1.815 74.254 1.00 0.00 H ATOM 1670 N THR A 539 -37.751 0.033 76.860 1.00 31.28 N ATOM 1671 CA THR A 539 -37.277 1.163 77.648 1.00 30.38 C ATOM 1672 C THR A 539 -38.394 2.191 77.755 1.00 25.59 C ATOM 1673 O THR A 539 -39.241 2.290 76.868 1.00 24.51 O ATOM 1674 CB THR A 539 -36.006 1.812 77.053 1.00 32.18 C ATOM 1675 OG1 THR A 539 -36.235 2.228 75.697 1.00 26.59 O ATOM 1676 CG2 THR A 539 -34.826 0.837 77.111 1.00 33.96 C ATOM 1677 HG1 THR A 539 -36.480 1.441 75.148 1.00 0.00 H ATOM 1678 H THR A 539 -37.415 -0.086 75.883 1.00 0.00 H ATOM 1679 N LYS A 540 -38.405 2.943 78.850 1.00 26.69 N ATOM 1680 CA LYS A 540 -39.495 3.880 79.110 1.00 29.52 C ATOM 1681 C LYS A 540 -38.982 5.210 79.646 1.00 24.83 C ATOM 1682 O LYS A 540 -37.971 5.258 80.333 1.00 24.78 O ATOM 1683 CB LYS A 540 -40.504 3.268 80.097 1.00 24.99 C ATOM 1684 CG LYS A 540 -41.136 1.974 79.590 1.00 28.91 C ATOM 1685 CD LYS A 540 -42.063 1.330 80.621 1.00 32.69 C ATOM 1686 CE LYS A 540 -42.703 0.063 80.051 1.00 28.57 C ATOM 1687 NZ LYS A 540 -41.663 -0.975 79.781 1.00 30.94 N ATOM 1688 HZ1 LYS A 540 -40.976 -0.605 79.093 1.00 0.00 H ATOM 1689 HZ2 LYS A 540 -41.174 -1.213 80.668 1.00 0.00 H ATOM 1690 HZ3 LYS A 540 -42.117 -1.827 79.395 1.00 0.00 H ATOM 1691 H LYS A 540 -37.625 2.863 79.533 1.00 0.00 H ATOM 1692 N LEU A 541 -39.683 6.287 79.306 1.00 23.48 N ATOM 1693 CA LEU A 541 -39.436 7.601 79.893 1.00 25.36 C ATOM 1694 C LEU A 541 -40.704 8.116 80.539 1.00 26.14 C ATOM 1695 O LEU A 541 -41.784 8.009 79.963 1.00 25.29 O ATOM 1696 CB LEU A 541 -38.951 8.609 78.845 1.00 27.68 C ATOM 1697 CG LEU A 541 -37.571 8.479 78.204 1.00 26.66 C ATOM 1698 CD1 LEU A 541 -37.432 9.513 77.066 1.00 30.98 C ATOM 1699 CD2 LEU A 541 -36.433 8.631 79.202 1.00 29.56 C ATOM 1700 H LEU A 541 -40.436 6.190 78.595 1.00 0.00 H ATOM 1701 N ILE A 542 -40.568 8.638 81.755 1.00 26.43 N ATOM 1702 CA ILE A 542 -41.645 9.353 82.423 1.00 21.74 C ATOM 1703 C ILE A 542 -41.151 10.769 82.687 1.00 24.01 C ATOM 1704 O ILE A 542 -40.178 10.974 83.435 1.00 26.22 O ATOM 1705 CB ILE A 542 -42.057 8.678 83.743 1.00 22.65 C ATOM 1706 CG1 ILE A 542 -42.229 7.167 83.539 1.00 25.27 C ATOM 1707 CG2 ILE A 542 -43.345 9.300 84.268 1.00 24.13 C ATOM 1708 CD1 ILE A 542 -42.393 6.384 84.821 1.00 27.00 C ATOM 1709 H ILE A 542 -39.658 8.531 82.247 1.00 0.00 H ATOM 1710 N LEU A 543 -41.794 11.731 82.048 1.00 20.56 N ATOM 1711 CA LEU A 543 -41.388 13.131 82.083 1.00 23.20 C ATOM 1712 C LEU A 543 -42.372 13.960 82.880 1.00 27.41 C ATOM 1713 O LEU A 543 -43.580 13.875 82.663 1.00 27.49 O ATOM 1714 CB LEU A 543 -41.279 13.696 80.659 1.00 23.26 C ATOM 1715 CG LEU A 543 -40.290 13.030 79.707 1.00 28.12 C ATOM 1716 CD1 LEU A 543 -40.718 13.213 78.240 1.00 29.14 C ATOM 1717 CD2 LEU A 543 -38.899 13.603 79.927 1.00 34.38 C ATOM 1718 H LEU A 543 -42.634 11.476 81.491 1.00 0.00 H ATOM 1719 N CYS A 544 -41.876 14.768 83.806 1.00 26.22 N ATOM 1720 CA CYS A 544 -42.778 15.614 84.585 1.00 30.86 C ATOM 1721 C CYS A 544 -42.251 17.037 84.642 1.00 29.59 C ATOM 1722 O CYS A 544 -41.147 17.278 85.156 1.00 33.99 O ATOM 1723 CB CYS A 544 -42.965 15.060 85.996 1.00 35.85 C ATOM 1724 SG CYS A 544 -43.931 16.154 87.068 1.00 39.15 S ATOM 1725 H CYS A 544 -40.851 14.800 83.977 1.00 0.00 H ATOM 1726 N PRO A 545 -43.033 17.986 84.112 1.00 29.19 N ATOM 1727 CA PRO A 545 -42.600 19.379 83.994 1.00 34.69 C ATOM 1728 C PRO A 545 -42.612 20.077 85.339 1.00 35.26 C ATOM 1729 O PRO A 545 -41.834 21.008 85.563 1.00 34.64 O ATOM 1730 CB PRO A 545 -43.634 19.991 83.046 1.00 34.24 C ATOM 1731 CG PRO A 545 -44.864 19.173 83.263 1.00 30.72 C ATOM 1732 CD PRO A 545 -44.366 17.772 83.513 1.00 32.93 C ATOM 1733 N LEU A 546 -43.489 19.610 86.221 1.00 38.89 N ATOM 1734 CA LEU A 546 -43.610 20.147 87.567 1.00 36.96 C ATOM 1735 C LEU A 546 -42.319 19.916 88.331 1.00 38.55 C ATOM 1736 O LEU A 546 -41.776 20.836 88.933 1.00 43.31 O ATOM 1737 CB LEU A 546 -44.789 19.503 88.292 1.00 37.32 C ATOM 1738 CG LEU A 546 -46.167 20.149 88.115 1.00 41.56 C ATOM 1739 CD1 LEU A 546 -46.578 20.251 86.664 1.00 45.81 C ATOM 1740 CD2 LEU A 546 -47.216 19.376 88.915 1.00 43.67 C ATOM 1741 H LEU A 546 -44.114 18.829 85.937 1.00 0.00 H ATOM 1742 N MET A 547 -41.831 18.681 88.298 1.00 37.25 N ATOM 1743 CA MET A 547 -40.555 18.335 88.911 1.00 36.20 C ATOM 1744 C MET A 547 -39.375 18.698 88.014 1.00 41.16 C ATOM 1745 O MET A 547 -38.218 18.693 88.462 1.00 37.69 O ATOM 1746 CB MET A 547 -40.517 16.841 89.235 1.00 37.42 C ATOM 1747 CG MET A 547 -41.558 16.399 90.240 1.00 45.32 C ATOM 1748 SD MET A 547 -41.271 17.161 91.846 1.00 55.53 S ATOM 1749 CE MET A 547 -42.602 18.365 91.892 1.00 43.62 C ATOM 1750 H MET A 547 -42.377 17.937 87.819 1.00 0.00 H ATOM 1751 N ALA A 548 -39.681 19.021 86.757 1.00 37.43 N ATOM 1752 CA ALA A 548 -38.679 19.202 85.706 1.00 31.66 C ATOM 1753 C ALA A 548 -37.684 18.053 85.776 1.00 34.55 C ATOM 1754 O ALA A 548 -36.476 18.254 85.929 1.00 37.02 O ATOM 1755 CB ALA A 548 -37.991 20.541 85.839 1.00 36.32 C ATOM 1756 H ALA A 548 -40.683 19.151 86.511 1.00 0.00 H ATOM 1757 N ALA A 549 -38.214 16.840 85.700 1.00 30.69 N ATOM 1758 CA ALA A 549 -37.416 15.634 85.864 1.00 31.32 C ATOM 1759 C ALA A 549 -37.797 14.575 84.841 1.00 32.18 C ATOM 1760 O ALA A 549 -38.875 14.623 84.237 1.00 30.98 O ATOM 1761 CB ALA A 549 -37.578 15.072 87.277 1.00 30.03 C ATOM 1762 H ALA A 549 -39.234 16.747 85.517 1.00 0.00 H ATOM 1763 N VAL A 550 -36.923 13.596 84.680 1.00 26.47 N ATOM 1764 CA VAL A 550 -37.219 12.472 83.814 1.00 25.82 C ATOM 1765 C VAL A 550 -36.841 11.189 84.524 1.00 24.85 C ATOM 1766 O VAL A 550 -35.793 11.103 85.165 1.00 24.30 O ATOM 1767 CB VAL A 550 -36.468 12.555 82.465 1.00 25.20 C ATOM 1768 CG1 VAL A 550 -34.955 12.699 82.678 1.00 27.59 C ATOM 1769 CG2 VAL A 550 -36.785 11.327 81.604 1.00 25.40 C ATOM 1770 H VAL A 550 -36.012 13.633 85.181 1.00 0.00 H ATOM 1771 N THR A 551 -37.713 10.199 84.434 1.00 25.53 N ATOM 1772 CA THR A 551 -37.410 8.880 84.964 1.00 25.73 C ATOM 1773 C THR A 551 -37.159 7.940 83.795 1.00 27.74 C ATOM 1774 O THR A 551 -38.008 7.804 82.917 1.00 24.70 O ATOM 1775 CB THR A 551 -38.554 8.343 85.825 1.00 22.56 C ATOM 1776 OG1 THR A 551 -38.752 9.201 86.953 1.00 24.72 O ATOM 1777 CG2 THR A 551 -38.281 6.913 86.289 1.00 24.78 C ATOM 1778 HG1 THR A 551 -38.977 10.112 86.638 1.00 0.00 H ATOM 1779 H THR A 551 -38.632 10.367 83.976 1.00 0.00 H ATOM 1780 N TYR A 552 -36.005 7.290 83.795 1.00 22.41 N ATOM 1781 CA TYR A 552 -35.647 6.370 82.722 1.00 26.29 C ATOM 1782 C TYR A 552 -35.685 4.928 83.213 1.00 26.64 C ATOM 1783 O TYR A 552 -35.035 4.581 84.209 1.00 27.38 O ATOM 1784 CB TYR A 552 -34.259 6.716 82.173 1.00 26.16 C ATOM 1785 CG TYR A 552 -33.762 5.821 81.055 1.00 31.67 C ATOM 1786 CD1 TYR A 552 -34.626 5.375 80.063 1.00 33.78 C ATOM 1787 CD2 TYR A 552 -32.420 5.457 80.971 1.00 35.90 C ATOM 1788 CE1 TYR A 552 -34.178 4.572 79.025 1.00 37.29 C ATOM 1789 CE2 TYR A 552 -31.958 4.648 79.925 1.00 39.67 C ATOM 1790 CZ TYR A 552 -32.851 4.210 78.959 1.00 38.69 C ATOM 1791 OH TYR A 552 -32.436 3.410 77.913 1.00 42.32 O ATOM 1792 HH TYR A 552 -32.056 2.569 78.273 1.00 0.00 H ATOM 1793 H TYR A 552 -35.338 7.439 84.579 1.00 0.00 H ATOM 1794 N ILE A 553 -36.452 4.096 82.516 1.00 24.33 N ATOM 1795 CA ILE A 553 -36.506 2.666 82.812 1.00 23.67 C ATOM 1796 C ILE A 553 -35.744 1.928 81.720 1.00 32.05 C ATOM 1797 O ILE A 553 -36.157 1.916 80.561 1.00 27.39 O ATOM 1798 CB ILE A 553 -37.954 2.143 82.916 1.00 26.40 C ATOM 1799 CG1 ILE A 553 -38.650 2.743 84.146 1.00 25.86 C ATOM 1800 CG2 ILE A 553 -37.963 0.619 83.005 1.00 26.91 C ATOM 1801 CD1 ILE A 553 -40.168 2.434 84.203 1.00 23.73 C ATOM 1802 H ILE A 553 -37.030 4.473 81.738 1.00 0.00 H ATOM 1803 N ASN A 554 -34.610 1.347 82.108 1.00 27.09 N ATOM 1804 CA ASN A 554 -33.688 0.687 81.189 1.00 38.73 C ATOM 1805 C ASN A 554 -34.266 -0.618 80.660 1.00 30.55 C ATOM 1806 O ASN A 554 -35.259 -1.103 81.174 1.00 32.98 O ATOM 1807 CB ASN A 554 -32.355 0.417 81.911 1.00 35.70 C ATOM 1808 CG ASN A 554 -31.152 0.857 81.108 1.00 52.58 C ATOM 1809 OD1 ASN A 554 -31.283 1.395 80.004 1.00 53.13 O ATOM 1810 ND2 ASN A 554 -29.963 0.644 81.669 1.00 54.96 N ATOM 1811 HD22 ASN A 554 -29.902 0.187 82.601 1.00 0.00 H ATOM 1812 HD21 ASN A 554 -29.095 0.935 81.175 1.00 0.00 H ATOM 1813 H ASN A 554 -34.369 1.365 83.119 1.00 0.00 H ATOM 1814 N GLU A 555 -33.612 -1.220 79.673 1.00 33.97 N ATOM 1815 CA GLU A 555 -34.067 -2.509 79.155 1.00 36.63 C ATOM 1816 C GLU A 555 -33.990 -3.600 80.227 1.00 39.33 C ATOM 1817 O GLU A 555 -34.653 -4.631 80.120 1.00 39.47 O ATOM 1818 CB GLU A 555 -33.256 -2.922 77.922 1.00 36.01 C ATOM 1819 CG GLU A 555 -31.771 -3.131 78.176 1.00 38.25 C ATOM 1820 CD GLU A 555 -30.993 -1.831 78.333 1.00 46.86 C ATOM 1821 OE1 GLU A 555 -31.546 -0.749 78.027 1.00 42.84 O ATOM 1822 OE2 GLU A 555 -29.821 -1.898 78.770 1.00 55.65 O ATOM 1823 H GLU A 555 -32.768 -0.770 79.265 1.00 0.00 H ATOM 1824 N LYS A 556 -33.186 -3.366 81.260 1.00 37.36 N ATOM 1825 CA LYS A 556 -33.066 -4.303 82.371 1.00 40.45 C ATOM 1826 C LYS A 556 -34.111 -4.033 83.469 1.00 41.86 C ATOM 1827 O LYS A 556 -34.106 -4.676 84.518 1.00 39.23 O ATOM 1828 CB LYS A 556 -31.652 -4.238 82.956 1.00 41.50 C ATOM 1829 CG LYS A 556 -30.578 -4.766 82.024 1.00 43.81 C ATOM 1830 CD LYS A 556 -29.243 -4.903 82.741 1.00 53.66 C ATOM 1831 CE LYS A 556 -28.705 -3.549 83.174 1.00 54.39 C ATOM 1832 NZ LYS A 556 -27.352 -3.666 83.784 1.00 55.82 N ATOM 1833 HZ1 LYS A 556 -27.402 -4.282 84.620 1.00 0.00 H ATOM 1834 HZ2 LYS A 556 -26.694 -4.074 83.090 1.00 0.00 H ATOM 1835 HZ3 LYS A 556 -27.018 -2.723 84.067 1.00 0.00 H ATOM 1836 H LYS A 556 -32.627 -2.489 81.276 1.00 0.00 H ATOM 1837 N ARG A 557 -35.013 -3.088 83.197 1.00 38.66 N ATOM 1838 CA ARG A 557 -36.061 -2.626 84.126 1.00 35.75 C ATOM 1839 C ARG A 557 -35.478 -1.967 85.383 1.00 36.43 C ATOM 1840 O ARG A 557 -36.189 -1.680 86.355 1.00 34.82 O ATOM 1841 CB ARG A 557 -37.029 -3.775 84.468 1.00 39.41 C ATOM 1842 CG ARG A 557 -37.320 -4.690 83.255 1.00 40.98 C ATOM 1843 CD ARG A 557 -38.222 -5.879 83.559 1.00 43.97 C ATOM 1844 NE ARG A 557 -38.003 -6.380 84.908 1.00 54.74 N ATOM 1845 CZ ARG A 557 -38.886 -6.262 85.894 1.00 61.35 C ATOM 1846 NH1 ARG A 557 -40.069 -5.697 85.665 1.00 55.13 N ATOM 1847 NH2 ARG A 557 -38.598 -6.731 87.102 1.00 59.99 N ATOM 1848 HE ARG A 557 -37.102 -6.858 85.112 1.00 0.00 H ATOM 1849 HH12 ARG A 557 -40.760 -5.605 86.437 1.00 0.00 H ATOM 1850 HH11 ARG A 557 -40.303 -5.347 84.714 1.00 0.00 H ATOM 1851 HH22 ARG A 557 -39.289 -6.639 87.874 1.00 0.00 H ATOM 1852 HH21 ARG A 557 -37.682 -7.191 87.276 1.00 0.00 H ATOM 1853 H ARG A 557 -34.974 -2.643 82.258 1.00 0.00 H ATOM 1854 N ASP A 558 -34.176 -1.699 85.337 1.00 37.02 N ATOM 1855 CA ASP A 558 -33.539 -0.806 86.294 1.00 38.89 C ATOM 1856 C ASP A 558 -34.064 0.600 86.019 1.00 38.91 C ATOM 1857 O ASP A 558 -34.518 0.889 84.911 1.00 33.35 O ATOM 1858 CB ASP A 558 -32.011 -0.875 86.169 1.00 44.89 C ATOM 1859 CG ASP A 558 -31.435 -2.188 86.701 1.00 48.21 C ATOM 1860 OD1 ASP A 558 -32.144 -2.884 87.462 1.00 55.81 O ATOM 1861 OD2 ASP A 558 -30.283 -2.531 86.350 1.00 52.47 O ATOM 1862 H ASP A 558 -33.596 -2.141 84.595 1.00 0.00 H ATOM 1863 N PHE A 559 -34.029 1.478 87.012 1.00 30.64 N ATOM 1864 CA PHE A 559 -34.629 2.789 86.824 1.00 28.49 C ATOM 1865 C PHE A 559 -33.905 3.880 87.581 1.00 30.60 C ATOM 1866 O PHE A 559 -33.242 3.628 88.604 1.00 30.17 O ATOM 1867 CB PHE A 559 -36.103 2.768 87.250 1.00 28.56 C ATOM 1868 CG PHE A 559 -36.289 2.587 88.731 1.00 28.22 C ATOM 1869 CD1 PHE A 559 -36.441 3.685 89.563 1.00 34.18 C ATOM 1870 CD2 PHE A 559 -36.287 1.317 89.294 1.00 32.60 C ATOM 1871 CE1 PHE A 559 -36.593 3.523 90.937 1.00 33.39 C ATOM 1872 CE2 PHE A 559 -36.443 1.145 90.668 1.00 32.77 C ATOM 1873 CZ PHE A 559 -36.595 2.252 91.486 1.00 37.86 C ATOM 1874 H PHE A 559 -33.577 1.232 87.916 1.00 0.00 H ATOM 1875 N GLN A 560 -34.056 5.106 87.092 1.00 24.27 N ATOM 1876 CA GLN A 560 -33.448 6.249 87.749 1.00 31.94 C ATOM 1877 C GLN A 560 -34.151 7.534 87.367 1.00 26.92 C ATOM 1878 O GLN A 560 -34.607 7.692 86.244 1.00 27.25 O ATOM 1879 CB GLN A 560 -31.964 6.338 87.397 1.00 28.94 C ATOM 1880 CG GLN A 560 -31.151 7.279 88.276 1.00 37.65 C ATOM 1881 CD GLN A 560 -31.325 6.999 89.765 1.00 39.57 C ATOM 1882 OE1 GLN A 560 -32.225 7.539 90.427 1.00 40.42 O ATOM 1883 NE2 GLN A 560 -30.485 6.125 90.289 1.00 41.99 N ATOM 1884 HE22 GLN A 560 -29.745 5.696 89.698 1.00 0.00 H ATOM 1885 HE21 GLN A 560 -30.564 5.866 91.293 1.00 0.00 H ATOM 1886 H GLN A 560 -34.617 5.249 86.228 1.00 0.00 H ATOM 1887 N THR A 561 -34.212 8.466 88.306 1.00 27.07 N ATOM 1888 CA THR A 561 -34.880 9.733 88.072 1.00 27.86 C ATOM 1889 C THR A 561 -33.843 10.842 88.055 1.00 30.05 C ATOM 1890 O THR A 561 -32.954 10.912 88.919 1.00 28.54 O ATOM 1891 CB THR A 561 -35.987 9.989 89.147 1.00 32.35 C ATOM 1892 OG1 THR A 561 -36.973 8.951 89.064 1.00 29.73 O ATOM 1893 CG2 THR A 561 -36.680 11.327 88.934 1.00 29.32 C ATOM 1894 HG1 THR A 561 -37.379 8.954 88.161 1.00 0.00 H ATOM 1895 H THR A 561 -33.772 8.286 89.231 1.00 0.00 H ATOM 1896 N TYR A 562 -33.931 11.687 87.036 1.00 29.54 N ATOM 1897 CA TYR A 562 -32.943 12.728 86.820 1.00 27.71 C ATOM 1898 C TYR A 562 -33.597 14.093 86.773 1.00 29.00 C ATOM 1899 O TYR A 562 -34.677 14.248 86.211 1.00 34.31 O ATOM 1900 CB TYR A 562 -32.177 12.482 85.510 1.00 28.57 C ATOM 1901 CG TYR A 562 -31.436 11.171 85.469 1.00 26.26 C ATOM 1902 CD1 TYR A 562 -30.166 11.052 86.030 1.00 28.31 C ATOM 1903 CD2 TYR A 562 -32.002 10.051 84.875 1.00 24.88 C ATOM 1904 CE1 TYR A 562 -29.479 9.856 85.996 1.00 28.07 C ATOM 1905 CE2 TYR A 562 -31.329 8.848 84.840 1.00 26.95 C ATOM 1906 CZ TYR A 562 -30.060 8.758 85.402 1.00 30.17 C ATOM 1907 OH TYR A 562 -29.375 7.565 85.373 1.00 30.16 O ATOM 1908 HH TYR A 562 -28.496 7.680 85.814 1.00 0.00 H ATOM 1909 H TYR A 562 -34.729 11.601 86.375 1.00 0.00 H ATOM 1910 N ARG A 563 -32.931 15.081 87.352 1.00 26.44 N ATOM 1911 CA ARG A 563 -33.331 16.473 87.210 1.00 31.60 C ATOM 1912 C ARG A 563 -32.839 16.927 85.833 1.00 33.41 C ATOM 1913 O ARG A 563 -31.669 16.739 85.497 1.00 30.63 O ATOM 1914 CB ARG A 563 -32.743 17.318 88.346 1.00 33.45 C ATOM 1915 CG ARG A 563 -33.681 18.363 88.967 1.00 51.82 C ATOM 1916 CD ARG A 563 -34.828 17.752 89.803 1.00 50.10 C ATOM 1917 NE ARG A 563 -35.528 18.765 90.608 1.00 60.92 N ATOM 1918 CZ ARG A 563 -36.750 18.629 91.127 1.00 58.81 C ATOM 1919 NH1 ARG A 563 -37.457 17.527 90.890 1.00 58.05 N ATOM 1920 NH2 ARG A 563 -37.278 19.606 91.864 1.00 66.81 N ATOM 1921 HE ARG A 563 -35.030 19.660 90.787 1.00 0.00 H ATOM 1922 HH12 ARG A 563 -38.409 17.423 91.295 1.00 0.00 H ATOM 1923 HH11 ARG A 563 -37.058 16.770 90.299 1.00 0.00 H ATOM 1924 HH22 ARG A 563 -38.231 19.497 92.267 1.00 0.00 H ATOM 1925 HH21 ARG A 563 -36.737 20.478 92.036 1.00 0.00 H ATOM 1926 H ARG A 563 -32.095 14.854 87.927 1.00 0.00 H ATOM 1927 N LEU A 564 -33.730 17.478 85.016 1.00 30.31 N ATOM 1928 CA LEU A 564 -33.356 17.835 83.643 1.00 34.28 C ATOM 1929 C LEU A 564 -32.261 18.918 83.636 1.00 34.87 C ATOM 1930 O LEU A 564 -31.362 18.912 82.794 1.00 31.92 O ATOM 1931 CB LEU A 564 -34.592 18.292 82.857 1.00 35.59 C ATOM 1932 CG LEU A 564 -35.571 17.177 82.467 1.00 33.77 C ATOM 1933 CD1 LEU A 564 -36.886 17.739 81.927 1.00 34.08 C ATOM 1934 CD2 LEU A 564 -34.955 16.231 81.441 1.00 28.63 C ATOM 1935 H LEU A 564 -34.698 17.657 85.352 1.00 0.00 H ATOM 1936 N SER A 565 -32.328 19.830 84.599 1.00 34.35 N ATOM 1937 CA SER A 565 -31.363 20.916 84.676 1.00 38.59 C ATOM 1938 C SER A 565 -29.975 20.391 85.026 1.00 33.27 C ATOM 1939 O SER A 565 -28.964 20.992 84.668 1.00 39.28 O ATOM 1940 CB SER A 565 -31.808 21.953 85.706 1.00 40.96 C ATOM 1941 OG SER A 565 -31.972 21.349 86.976 1.00 39.25 O ATOM 1942 HG SER A 565 -32.659 20.638 86.916 1.00 0.00 H ATOM 1943 H SER A 565 -33.084 19.767 85.311 1.00 0.00 H ATOM 1944 N LEU A 566 -29.923 19.268 85.732 1.00 35.66 N ATOM 1945 CA LEU A 566 -28.638 18.697 86.115 1.00 33.94 C ATOM 1946 C LEU A 566 -28.102 17.805 85.008 1.00 32.84 C ATOM 1947 O LEU A 566 -26.897 17.614 84.884 1.00 28.91 O ATOM 1948 CB LEU A 566 -28.754 17.917 87.422 1.00 32.05 C ATOM 1949 CG LEU A 566 -28.962 18.781 88.666 1.00 32.36 C ATOM 1950 CD1 LEU A 566 -29.311 17.901 89.851 1.00 36.30 C ATOM 1951 CD2 LEU A 566 -27.704 19.610 88.944 1.00 40.64 C ATOM 1952 H LEU A 566 -30.804 18.793 86.013 1.00 0.00 H ATOM 1953 N LEU A 567 -29.002 17.260 84.194 1.00 32.43 N ATOM 1954 CA LEU A 567 -28.574 16.515 83.015 1.00 31.38 C ATOM 1955 C LEU A 567 -27.900 17.491 82.068 1.00 32.01 C ATOM 1956 O LEU A 567 -26.910 17.168 81.415 1.00 32.84 O ATOM 1957 CB LEU A 567 -29.765 15.826 82.336 1.00 35.47 C ATOM 1958 CG LEU A 567 -30.239 14.523 82.976 1.00 32.25 C ATOM 1959 CD1 LEU A 567 -31.448 13.969 82.241 1.00 29.85 C ATOM 1960 CD2 LEU A 567 -29.119 13.516 82.982 1.00 32.64 C ATOM 1961 H LEU A 567 -30.016 17.366 84.399 1.00 0.00 H ATOM 1962 N GLU A 568 -28.445 18.700 82.009 1.00 30.10 N ATOM 1963 CA GLU A 568 -27.873 19.744 81.182 1.00 33.80 C ATOM 1964 C GLU A 568 -26.512 20.133 81.732 1.00 37.71 C ATOM 1965 O GLU A 568 -25.568 20.361 80.972 1.00 34.13 O ATOM 1966 CB GLU A 568 -28.802 20.953 81.122 1.00 37.77 C ATOM 1967 CG GLU A 568 -28.184 22.172 80.483 1.00 42.73 C ATOM 1968 CD GLU A 568 -29.206 23.245 80.184 1.00 49.32 C ATOM 1969 OE1 GLU A 568 -30.419 22.964 80.306 1.00 49.05 O ATOM 1970 OE2 GLU A 568 -28.799 24.370 79.824 1.00 57.12 O ATOM 1971 H GLU A 568 -29.299 18.902 82.567 1.00 0.00 H ATOM 1972 N GLU A 569 -26.412 20.177 83.059 1.00 34.05 N ATOM 1973 CA GLU A 569 -25.153 20.515 83.731 1.00 35.97 C ATOM 1974 C GLU A 569 -24.084 19.441 83.584 1.00 34.15 C ATOM 1975 O GLU A 569 -22.946 19.732 83.202 1.00 38.22 O ATOM 1976 CB GLU A 569 -25.395 20.754 85.218 1.00 36.86 C ATOM 1977 CG GLU A 569 -24.456 21.768 85.854 1.00 43.13 C ATOM 1978 CD GLU A 569 -24.780 22.026 87.315 1.00 39.70 C ATOM 1979 OE1 GLU A 569 -25.968 22.155 87.667 1.00 50.39 O ATOM 1980 OE2 GLU A 569 -23.829 22.082 88.116 1.00 55.81 O ATOM 1981 H GLU A 569 -27.251 19.966 83.636 1.00 0.00 H ATOM 1982 N TYR A 570 -24.437 18.202 83.910 1.00 35.83 N ATOM 1983 CA TYR A 570 -23.447 17.129 84.018 1.00 33.48 C ATOM 1984 C TYR A 570 -23.406 16.130 82.852 1.00 36.92 C ATOM 1985 O TYR A 570 -22.474 15.328 82.761 1.00 33.01 O ATOM 1986 CB TYR A 570 -23.677 16.376 85.325 1.00 33.98 C ATOM 1987 CG TYR A 570 -23.440 17.249 86.540 1.00 38.65 C ATOM 1988 CD1 TYR A 570 -22.147 17.500 87.003 1.00 41.15 C ATOM 1989 CD2 TYR A 570 -24.500 17.846 87.203 1.00 36.19 C ATOM 1990 CE1 TYR A 570 -21.926 18.311 88.118 1.00 41.78 C ATOM 1991 CE2 TYR A 570 -24.294 18.653 88.305 1.00 37.12 C ATOM 1992 CZ TYR A 570 -23.010 18.882 88.762 1.00 45.68 C ATOM 1993 OH TYR A 570 -22.826 19.691 89.864 1.00 47.34 O ATOM 1994 HH TYR A 570 -23.187 20.593 89.674 1.00 0.00 H ATOM 1995 H TYR A 570 -25.439 17.990 84.092 1.00 0.00 H ATOM 1996 N GLY A 571 -24.410 16.172 81.975 1.00 35.14 N ATOM 1997 CA GLY A 571 -24.458 15.294 80.814 1.00 33.82 C ATOM 1998 C GLY A 571 -25.113 13.945 81.074 1.00 34.43 C ATOM 1999 O GLY A 571 -25.469 13.625 82.205 1.00 28.82 O ATOM 2000 H GLY A 571 -25.182 16.852 82.125 1.00 0.00 H ATOM 2001 N CYS A 572 -25.291 13.149 80.024 1.00 33.51 N ATOM 2002 CA CYS A 572 -25.784 11.781 80.200 1.00 32.65 C ATOM 2003 C CYS A 572 -25.349 10.886 79.046 1.00 32.25 C ATOM 2004 O CYS A 572 -24.815 11.364 78.048 1.00 27.99 O ATOM 2005 CB CYS A 572 -27.308 11.754 80.350 1.00 37.60 C ATOM 2006 SG CYS A 572 -28.238 12.316 78.910 1.00 37.47 S ATOM 2007 H CYS A 572 -25.078 13.501 79.069 1.00 0.00 H ATOM 2008 N CYS A 573 -25.569 9.586 79.210 1.00 31.45 N ATOM 2009 CA CYS A 573 -25.192 8.579 78.225 1.00 32.18 C ATOM 2010 C CYS A 573 -25.948 8.746 76.908 1.00 34.37 C ATOM 2011 O CYS A 573 -26.996 9.401 76.848 1.00 29.50 O ATOM 2012 CB CYS A 573 -25.456 7.177 78.778 1.00 42.08 C ATOM 2013 SG CYS A 573 -27.239 6.831 79.095 1.00 46.41 S ATOM 2014 H CYS A 573 -26.034 9.271 80.085 1.00 0.00 H ATOM 2015 N LYS A 574 -25.422 8.122 75.859 1.00 32.62 N ATOM 2016 CA LYS A 574 -26.002 8.246 74.530 1.00 37.67 C ATOM 2017 C LYS A 574 -27.439 7.733 74.476 1.00 35.46 C ATOM 2018 O LYS A 574 -28.288 8.295 73.768 1.00 31.68 O ATOM 2019 CB LYS A 574 -25.131 7.504 73.504 1.00 39.37 C ATOM 2020 CG LYS A 574 -25.010 6.001 73.736 1.00 42.63 C ATOM 2021 CD LYS A 574 -24.114 5.354 72.692 1.00 51.87 C ATOM 2022 CE LYS A 574 -23.964 3.860 72.924 1.00 57.83 C ATOM 2023 NZ LYS A 574 -23.085 3.245 71.890 1.00 62.76 N ATOM 2024 HZ1 LYS A 574 -23.500 3.397 70.949 1.00 0.00 H ATOM 2025 HZ2 LYS A 574 -22.144 3.686 71.930 1.00 0.00 H ATOM 2026 HZ3 LYS A 574 -22.999 2.225 72.072 1.00 0.00 H ATOM 2027 H LYS A 574 -24.576 7.531 75.991 1.00 0.00 H ATOM 2028 N GLU A 575 -27.736 6.687 75.243 1.00 33.32 N ATOM 2029 CA GLU A 575 -29.052 6.058 75.128 1.00 41.41 C ATOM 2030 C GLU A 575 -30.156 6.907 75.768 1.00 35.14 C ATOM 2031 O GLU A 575 -31.254 7.010 75.220 1.00 32.71 O ATOM 2032 CB GLU A 575 -29.012 4.645 75.716 1.00 42.35 C ATOM 2033 CG GLU A 575 -27.947 4.447 76.761 1.00 51.43 C ATOM 2034 CD GLU A 575 -27.724 2.987 77.115 1.00 65.71 C ATOM 2035 OE1 GLU A 575 -28.582 2.404 77.821 1.00 67.35 O ATOM 2036 OE2 GLU A 575 -26.682 2.431 76.688 1.00 67.04 O ATOM 2037 H GLU A 575 -27.037 6.319 75.920 1.00 0.00 H ATOM 2038 N LEU A 576 -29.862 7.554 76.889 1.00 28.81 N ATOM 2039 CA LEU A 576 -30.808 8.512 77.443 1.00 32.71 C ATOM 2040 C LEU A 576 -30.896 9.767 76.569 1.00 28.51 C ATOM 2041 O LEU A 576 -31.991 10.249 76.279 1.00 29.41 O ATOM 2042 CB LEU A 576 -30.431 8.886 78.881 1.00 30.88 C ATOM 2043 CG LEU A 576 -31.343 9.911 79.555 1.00 31.55 C ATOM 2044 CD1 LEU A 576 -32.839 9.507 79.456 1.00 30.77 C ATOM 2045 CD2 LEU A 576 -30.945 10.127 81.014 1.00 29.21 C ATOM 2046 H LEU A 576 -28.957 7.377 77.371 1.00 0.00 H ATOM 2047 N ALA A 577 -29.750 10.289 76.148 1.00 27.18 N ATOM 2048 CA ALA A 577 -29.726 11.473 75.294 1.00 28.53 C ATOM 2049 C ALA A 577 -30.600 11.273 74.050 1.00 27.01 C ATOM 2050 O ALA A 577 -31.387 12.144 73.674 1.00 27.34 O ATOM 2051 CB ALA A 577 -28.276 11.815 74.887 1.00 30.96 C ATOM 2052 H ALA A 577 -28.853 9.846 76.432 1.00 0.00 H ATOM 2053 N SER A 578 -30.462 10.104 73.430 1.00 31.84 N ATOM 2054 CA SER A 578 -31.194 9.760 72.214 1.00 29.81 C ATOM 2055 C SER A 578 -32.703 9.746 72.461 1.00 27.65 C ATOM 2056 O SER A 578 -33.497 10.308 71.692 1.00 28.72 O ATOM 2057 CB SER A 578 -30.741 8.395 71.697 1.00 26.18 C ATOM 2058 OG SER A 578 -31.557 8.004 70.594 1.00 39.46 O ATOM 2059 HG SER A 578 -31.474 8.674 69.870 1.00 0.00 H ATOM 2060 H SER A 578 -29.804 9.404 73.829 1.00 0.00 H ATOM 2061 N ARG A 579 -33.086 9.087 73.548 1.00 28.49 N ATOM 2062 CA ARG A 579 -34.475 9.003 73.959 1.00 28.34 C ATOM 2063 C ARG A 579 -35.035 10.379 74.314 1.00 27.38 C ATOM 2064 O ARG A 579 -36.197 10.664 74.029 1.00 26.10 O ATOM 2065 CB ARG A 579 -34.608 8.010 75.116 1.00 25.19 C ATOM 2066 CG ARG A 579 -34.636 6.573 74.586 1.00 32.28 C ATOM 2067 CD ARG A 579 -34.241 5.523 75.605 1.00 29.06 C ATOM 2068 NE ARG A 579 -34.169 4.192 74.998 1.00 30.88 N ATOM 2069 CZ ARG A 579 -33.115 3.699 74.343 1.00 35.99 C ATOM 2070 NH1 ARG A 579 -31.998 4.412 74.200 1.00 35.57 N ATOM 2071 NH2 ARG A 579 -33.175 2.475 73.831 1.00 32.62 N ATOM 2072 HE ARG A 579 -35.007 3.581 75.084 1.00 0.00 H ATOM 2073 HH12 ARG A 579 -31.187 4.011 73.687 1.00 0.00 H ATOM 2074 HH11 ARG A 579 -31.937 5.369 74.602 1.00 0.00 H ATOM 2075 HH22 ARG A 579 -32.358 2.085 73.320 1.00 0.00 H ATOM 2076 HH21 ARG A 579 -34.039 1.907 73.941 1.00 0.00 H ATOM 2077 H ARG A 579 -32.363 8.613 74.127 1.00 0.00 H ATOM 2078 N LEU A 580 -34.209 11.256 74.875 1.00 25.02 N ATOM 2079 CA LEU A 580 -34.682 12.603 75.190 1.00 24.68 C ATOM 2080 C LEU A 580 -34.835 13.445 73.923 1.00 27.54 C ATOM 2081 O LEU A 580 -35.704 14.321 73.852 1.00 26.43 O ATOM 2082 CB LEU A 580 -33.750 13.293 76.181 1.00 27.48 C ATOM 2083 CG LEU A 580 -33.858 12.856 77.657 1.00 28.64 C ATOM 2084 CD1 LEU A 580 -32.732 13.477 78.465 1.00 29.32 C ATOM 2085 CD2 LEU A 580 -35.217 13.197 78.266 1.00 26.97 C ATOM 2086 H LEU A 580 -33.228 10.985 75.089 1.00 0.00 H ATOM 2087 N ARG A 581 -34.017 13.180 72.909 1.00 23.20 N ATOM 2088 CA ARG A 581 -34.248 13.846 71.631 1.00 26.73 C ATOM 2089 C ARG A 581 -35.614 13.458 71.037 1.00 26.03 C ATOM 2090 O ARG A 581 -36.367 14.322 70.590 1.00 26.21 O ATOM 2091 CB ARG A 581 -33.122 13.536 70.643 1.00 26.80 C ATOM 2092 CG ARG A 581 -31.795 14.197 71.048 1.00 26.29 C ATOM 2093 CD ARG A 581 -30.830 14.271 69.884 1.00 32.25 C ATOM 2094 NE ARG A 581 -30.423 12.950 69.418 1.00 29.31 N ATOM 2095 CZ ARG A 581 -29.473 12.209 69.974 1.00 32.21 C ATOM 2096 NH1 ARG A 581 -29.190 11.020 69.454 1.00 32.76 N ATOM 2097 NH2 ARG A 581 -28.806 12.640 71.052 1.00 32.28 N ATOM 2098 HE ARG A 581 -30.914 12.560 68.588 1.00 0.00 H ATOM 2099 HH12 ARG A 581 -28.448 10.429 69.880 1.00 0.00 H ATOM 2100 HH11 ARG A 581 -29.711 10.680 68.621 1.00 0.00 H ATOM 2101 HH22 ARG A 581 -28.064 12.047 71.476 1.00 0.00 H ATOM 2102 HH21 ARG A 581 -29.030 13.568 71.465 1.00 0.00 H ATOM 2103 H ARG A 581 -33.229 12.512 73.024 1.00 0.00 H ATOM 2104 N TYR A 582 -35.927 12.164 71.035 1.00 24.58 N ATOM 2105 CA TYR A 582 -37.219 11.692 70.527 1.00 25.22 C ATOM 2106 C TYR A 582 -38.375 12.246 71.363 1.00 28.54 C ATOM 2107 O TYR A 582 -39.448 12.591 70.837 1.00 27.47 O ATOM 2108 CB TYR A 582 -37.259 10.161 70.519 1.00 26.05 C ATOM 2109 CG TYR A 582 -38.439 9.580 69.770 1.00 29.83 C ATOM 2110 CD1 TYR A 582 -38.491 9.616 68.384 1.00 34.93 C ATOM 2111 CD2 TYR A 582 -39.498 8.995 70.450 1.00 30.23 C ATOM 2112 CE1 TYR A 582 -39.582 9.085 67.694 1.00 33.49 C ATOM 2113 CE2 TYR A 582 -40.585 8.461 69.773 1.00 28.74 C ATOM 2114 CZ TYR A 582 -40.613 8.505 68.395 1.00 30.00 C ATOM 2115 OH TYR A 582 -41.686 7.976 67.721 1.00 33.33 O ATOM 2116 HH TYR A 582 -41.550 8.088 66.747 1.00 0.00 H ATOM 2117 H TYR A 582 -35.241 11.474 71.401 1.00 0.00 H ATOM 2118 N ALA A 583 -38.149 12.330 72.669 1.00 25.11 N ATOM 2119 CA ALA A 583 -39.134 12.874 73.594 1.00 28.39 C ATOM 2120 C ALA A 583 -39.473 14.308 73.224 1.00 28.65 C ATOM 2121 O ALA A 583 -40.638 14.697 73.262 1.00 27.83 O ATOM 2122 CB ALA A 583 -38.631 12.793 75.033 1.00 29.28 C ATOM 2123 H ALA A 583 -37.238 11.996 73.044 1.00 0.00 H ATOM 2124 N ARG A 584 -38.457 15.083 72.854 1.00 26.80 N ATOM 2125 CA ARG A 584 -38.674 16.445 72.370 1.00 29.21 C ATOM 2126 C ARG A 584 -39.618 16.480 71.169 1.00 29.99 C ATOM 2127 O ARG A 584 -40.516 17.320 71.093 1.00 32.94 O ATOM 2128 CB ARG A 584 -37.357 17.096 71.965 1.00 34.86 C ATOM 2129 CG ARG A 584 -37.496 18.570 71.632 1.00 40.04 C ATOM 2130 CD ARG A 584 -36.868 18.821 70.279 1.00 45.31 C ATOM 2131 NE ARG A 584 -36.401 20.190 70.089 1.00 55.76 N ATOM 2132 CZ ARG A 584 -35.190 20.611 70.437 1.00 48.89 C ATOM 2133 NH1 ARG A 584 -34.335 19.774 71.013 1.00 53.59 N ATOM 2134 NH2 ARG A 584 -34.836 21.869 70.213 1.00 59.47 N ATOM 2135 HE ARG A 584 -37.053 20.875 69.657 1.00 0.00 H ATOM 2136 HH12 ARG A 584 -33.387 20.104 71.285 1.00 0.00 H ATOM 2137 HH11 ARG A 584 -34.613 18.788 71.192 1.00 0.00 H ATOM 2138 HH22 ARG A 584 -33.888 22.199 70.485 1.00 0.00 H ATOM 2139 HH21 ARG A 584 -35.506 22.526 69.765 1.00 0.00 H ATOM 2140 H ARG A 584 -37.487 14.712 72.910 1.00 0.00 H ATOM 2141 N THR A 585 -39.382 15.578 70.221 1.00 28.45 N ATOM 2142 CA THR A 585 -40.179 15.505 69.004 1.00 30.29 C ATOM 2143 C THR A 585 -41.620 15.170 69.369 1.00 28.63 C ATOM 2144 O THR A 585 -42.549 15.774 68.849 1.00 32.55 O ATOM 2145 CB THR A 585 -39.633 14.451 68.010 1.00 24.73 C ATOM 2146 OG1 THR A 585 -38.232 14.660 67.804 1.00 31.66 O ATOM 2147 CG2 THR A 585 -40.388 14.514 66.658 1.00 27.29 C ATOM 2148 HG1 THR A 585 -37.889 13.984 67.168 1.00 0.00 H ATOM 2149 H THR A 585 -38.603 14.902 70.353 1.00 0.00 H ATOM 2150 N MET A 586 -41.795 14.237 70.300 1.00 26.84 N ATOM 2151 CA MET A 586 -43.122 13.785 70.699 1.00 28.82 C ATOM 2152 C MET A 586 -43.952 14.846 71.439 1.00 32.67 C ATOM 2153 O MET A 586 -45.175 14.951 71.233 1.00 30.01 O ATOM 2154 CB MET A 586 -42.986 12.521 71.548 1.00 28.92 C ATOM 2155 CG MET A 586 -42.411 11.339 70.764 1.00 28.25 C ATOM 2156 SD MET A 586 -43.464 10.865 69.370 1.00 33.52 S ATOM 2157 CE MET A 586 -42.472 11.347 67.945 1.00 30.76 C ATOM 2158 H MET A 586 -40.960 13.817 70.757 1.00 0.00 H ATOM 2159 N VAL A 587 -43.296 15.638 72.277 1.00 28.83 N ATOM 2160 CA VAL A 587 -43.977 16.660 73.070 1.00 32.68 C ATOM 2161 C VAL A 587 -44.363 17.829 72.160 1.00 33.76 C ATOM 2162 O VAL A 587 -45.393 18.475 72.353 1.00 34.56 O ATOM 2163 CB VAL A 587 -43.092 17.134 74.272 1.00 33.22 C ATOM 2164 CG1 VAL A 587 -43.668 18.377 74.953 1.00 31.37 C ATOM 2165 CG2 VAL A 587 -42.964 16.019 75.289 1.00 30.45 C ATOM 2166 H VAL A 587 -42.266 15.529 72.373 1.00 0.00 H ATOM 2167 N ASP A 588 -43.548 18.076 71.148 1.00 31.08 N ATOM 2168 CA ASP A 588 -43.898 19.048 70.120 1.00 36.48 C ATOM 2169 C ASP A 588 -45.170 18.601 69.376 1.00 40.29 C ATOM 2170 O ASP A 588 -46.071 19.408 69.110 1.00 34.54 O ATOM 2171 CB ASP A 588 -42.728 19.227 69.145 1.00 36.24 C ATOM 2172 CG ASP A 588 -42.690 20.612 68.510 1.00 50.71 C ATOM 2173 OD1 ASP A 588 -43.431 21.510 68.971 1.00 53.99 O ATOM 2174 OD2 ASP A 588 -41.911 20.802 67.547 1.00 62.23 O ATOM 2175 H ASP A 588 -42.643 17.568 71.085 1.00 0.00 H ATOM 2176 N LYS A 589 -45.245 17.309 69.061 1.00 35.98 N ATOM 2177 CA LYS A 589 -46.424 16.760 68.394 1.00 36.33 C ATOM 2178 C LYS A 589 -47.686 16.890 69.249 1.00 38.96 C ATOM 2179 O LYS A 589 -48.750 17.230 68.737 1.00 41.19 O ATOM 2180 CB LYS A 589 -46.205 15.291 68.013 1.00 35.39 C ATOM 2181 CG LYS A 589 -47.457 14.654 67.418 1.00 40.74 C ATOM 2182 CD LYS A 589 -47.177 13.365 66.660 1.00 40.58 C ATOM 2183 CE LYS A 589 -48.440 12.905 65.930 1.00 50.15 C ATOM 2184 NZ LYS A 589 -48.289 11.566 65.289 1.00 57.27 N ATOM 2185 HZ1 LYS A 589 -47.517 11.601 64.593 1.00 0.00 H ATOM 2186 HZ2 LYS A 589 -48.069 10.857 66.017 1.00 0.00 H ATOM 2187 HZ3 LYS A 589 -49.176 11.310 64.811 1.00 0.00 H ATOM 2188 H LYS A 589 -44.450 16.680 69.294 1.00 0.00 H ATOM 2189 N LEU A 590 -47.568 16.614 70.546 1.00 35.41 N ATOM 2190 CA LEU A 590 -48.681 16.812 71.478 1.00 35.71 C ATOM 2191 C LEU A 590 -49.145 18.264 71.469 1.00 36.67 C ATOM 2192 O LEU A 590 -50.337 18.543 71.499 1.00 41.58 O ATOM 2193 CB LEU A 590 -48.286 16.416 72.906 1.00 34.89 C ATOM 2194 CG LEU A 590 -48.063 14.947 73.263 1.00 33.78 C ATOM 2195 CD1 LEU A 590 -47.413 14.832 74.651 1.00 34.34 C ATOM 2196 CD2 LEU A 590 -49.366 14.174 73.233 1.00 30.27 C ATOM 2197 H LEU A 590 -46.663 16.249 70.907 1.00 0.00 H ATOM 2198 N LEU A 591 -48.194 19.187 71.435 1.00 37.81 N ATOM 2199 CA LEU A 591 -48.513 20.607 71.517 1.00 39.19 C ATOM 2200 C LEU A 591 -49.150 21.117 70.227 1.00 41.46 C ATOM 2201 O LEU A 591 -50.105 21.890 70.263 1.00 41.41 O ATOM 2202 CB LEU A 591 -47.253 21.412 71.835 1.00 37.61 C ATOM 2203 CG LEU A 591 -47.454 22.814 72.415 1.00 44.93 C ATOM 2204 CD1 LEU A 591 -48.374 22.770 73.619 1.00 36.42 C ATOM 2205 CD2 LEU A 591 -46.115 23.422 72.804 1.00 46.84 C ATOM 2206 H LEU A 591 -47.200 18.892 71.348 1.00 0.00 H ATOM 2207 N SER A 592 -48.610 20.677 69.094 1.00 41.94 N ATOM 2208 CA SER A 592 -49.070 21.120 67.783 1.00 41.88 C ATOM 2209 C SER A 592 -50.496 20.639 67.512 1.00 48.75 C ATOM 2210 O SER A 592 -51.267 21.296 66.808 1.00 48.08 O ATOM 2211 CB SER A 592 -48.129 20.615 66.694 1.00 50.75 C ATOM 2212 OG SER A 592 -48.277 19.215 66.518 1.00 55.19 O ATOM 2213 HG SER A 592 -48.064 18.753 67.367 1.00 0.00 H ATOM 2214 H SER A 592 -47.830 19.991 69.145 1.00 0.00 H ATOM 2215 N SER A 593 -50.834 19.482 68.072 1.00 46.92 N ATOM 2216 CA SER A 593 -52.196 18.980 68.028 1.00 47.22 C ATOM 2217 C SER A 593 -52.992 19.558 69.196 1.00 44.71 C ATOM 2218 O SER A 593 -54.215 19.677 69.126 1.00 57.38 O ATOM 2219 CB SER A 593 -52.212 17.452 68.075 1.00 47.23 C ATOM 2220 OG SER A 593 -52.248 16.989 69.412 1.00 54.99 O ATOM 2221 HG SER A 593 -51.447 17.315 69.894 1.00 0.00 H ATOM 2222 H SER A 593 -50.103 18.921 68.555 1.00 0.00 H TER 2223 SER A 593 HETATM 2224 O HOH 1 -54.164 -4.942 86.464 1.00 45.80 O HETATM 2225 O HOH 2 -43.434 13.894 89.189 1.00 40.08 O HETATM 2226 O HOH 3 -30.629 14.894 74.721 1.00 29.43 O HETATM 2227 O HOH 4 -45.329 -0.824 66.599 1.00 47.34 O HETATM 2228 O HOH 5 -71.643 17.955 82.842 1.00 43.98 O HETATM 2229 O HOH 6 -33.842 17.579 70.188 1.00 40.33 O HETATM 2230 O HOH 7 -40.948 -3.675 86.618 1.00 35.90 O HETATM 2231 O HOH 8 -27.314 7.278 86.636 1.00 38.48 O HETATM 2232 O HOH 9 -40.943 5.582 64.848 1.00 31.08 O HETATM 2233 O HOH 10 -68.592 15.204 83.786 1.00 32.92 O HETATM 2234 O HOH 11 -47.256 11.443 87.147 1.00 34.89 O HETATM 2235 O HOH 12 -60.591 17.941 83.709 1.00 43.74 O HETATM 2236 O HOH 13 -47.609 -4.145 80.560 1.00 29.56 O HETATM 2237 O HOH 14 -13.044 12.999 77.391 1.00 33.11 O HETATM 2238 O HOH 15 -46.640 18.282 80.168 1.00 37.95 O HETATM 2239 O HOH 16 -25.742 10.818 92.556 1.00 36.25 O HETATM 2240 O HOH 17 -48.851 6.857 93.688 1.00 41.49 O HETATM 2241 O HOH 18 -36.894 7.429 93.567 1.00 42.68 O HETATM 2242 O HOH 19 -42.717 0.198 98.488 1.00 37.62 O HETATM 2243 O HOH 20 -34.856 20.266 86.073 1.00 41.92 O HETATM 2244 O HOH 21 -32.557 21.809 71.444 1.00 42.65 O HETATM 2245 O HOH 22 -46.927 15.741 86.414 1.00 33.73 O HETATM 2246 O HOH 23 -53.931 6.358 94.871 1.00 39.29 O HETATM 2247 O HOH 24 -43.013 -4.137 72.111 1.00 38.45 O HETATM 2248 O HOH 25 -28.674 23.588 84.404 1.00 42.43 O HETATM 2249 O HOH 26 -38.502 -0.343 86.569 1.00 31.34 O HETATM 2250 O HOH 27 -44.985 0.267 91.580 1.00 36.23 O HETATM 2251 O HOH 28 -20.659 10.796 87.902 1.00 35.29 O HETATM 2252 O HOH 29 -47.390 1.381 92.979 1.00 40.59 O HETATM 2253 O HOH 30 -40.018 10.279 97.938 1.00 43.06 O HETATM 2254 O HOH 31 -35.541 16.209 68.906 1.00 33.49 O HETATM 2255 O HOH 32 -36.769 12.591 66.986 1.00 40.14 O HETATM 2256 O HOH 33 -29.423 17.253 71.230 1.00 34.89 O HETATM 2257 O HOH 34 -56.953 4.968 93.246 1.00 37.46 O HETATM 2258 O HOH 35 -41.071 13.059 88.097 1.00 32.34 O HETATM 2259 O HOH 36 -35.715 26.017 76.164 1.00 37.50 O HETATM 2260 O HOH 37 -23.265 16.712 67.637 1.00 49.43 O HETATM 2261 O HOH 38 -38.926 1.263 69.642 1.00 28.92 O HETATM 2262 O HOH 39 -37.742 -2.329 80.480 1.00 30.75 O HETATM 2263 O HOH 40 -59.764 15.584 97.074 1.00 41.33 O HETATM 2264 O HOH 41 -56.532 7.718 85.448 1.00 29.65 O HETATM 2265 O HOH 42 -46.275 12.497 89.581 1.00 31.07 O HETATM 2266 O HOH 43 -17.299 19.051 78.302 1.00 45.48 O HETATM 2267 O HOH 44 -39.764 11.663 86.400 1.00 32.28 O HETATM 2268 O HOH 45 -19.916 16.746 83.176 1.00 41.80 O HETATM 2269 O HOH 46 -46.110 0.204 88.721 1.00 37.61 O HETATM 2270 O HOH 47 -29.806 10.694 66.825 1.00 39.30 O HETATM 2271 O HOH 48 -67.888 14.997 76.235 1.00 36.60 O HETATM 2272 O HOH 49 -32.071 12.233 67.361 1.00 39.10 O HETATM 2273 O HOH 50 -56.497 -1.704 94.992 1.00 51.66 O HETATM 2274 O HOH 51 -46.959 0.933 80.488 1.00 27.67 O HETATM 2275 O HOH 52 -58.843 6.791 72.913 1.00 33.40 O HETATM 2276 O HOH 53 -25.974 15.008 73.037 1.00 31.76 O HETATM 2277 O HOH 54 -38.703 -6.206 70.325 1.00 43.84 O HETATM 2278 O HOH 55 -41.564 8.533 65.026 1.00 40.82 O HETATM 2279 O HOH 56 -27.416 22.560 70.233 1.00 51.87 O HETATM 2280 O HOH 57 -29.003 15.051 72.444 1.00 31.74 O HETATM 2281 O HOH 58 -40.426 -1.692 84.834 1.00 27.11 O HETATM 2282 O HOH 59 -53.714 2.427 67.336 1.00 39.74 O HETATM 2283 O HOH 60 -54.508 8.511 69.128 1.00 35.12 O HETATM 2284 O HOH 61 -74.994 3.162 78.379 1.00 41.47 O HETATM 2285 O HOH 62 -72.266 4.877 78.745 1.00 37.25 O HETATM 2286 O HOH 63 -22.736 7.270 75.908 1.00 41.95 O HETATM 2287 O HOH 64 -52.823 16.750 75.064 1.00 38.07 O HETATM 2288 O HOH 65 -58.612 14.436 87.082 1.00 42.20 O HETATM 2289 O HOH 66 -69.275 17.140 77.180 1.00 44.91 O HETATM 2290 O HOH 67 -26.058 8.594 93.208 1.00 41.72 O HETATM 2291 O HOH 68 -56.685 5.608 86.738 1.00 28.01 O HETATM 2292 O HOH 69 -39.936 6.584 96.308 1.00 35.79 O HETATM 2293 O HOH 70 -52.442 16.850 72.387 1.00 46.58 O HETATM 2294 O HOH 71 -45.710 5.340 97.544 1.00 41.42 O HETATM 2295 O HOH 72 -69.765 15.497 90.730 1.00 43.41 O HETATM 2296 O HOH 73 -52.082 6.615 67.494 1.00 31.65 O HETATM 2297 O HOH 74 -35.585 7.256 90.954 1.00 41.20 O HETATM 2298 O HOH 75 -67.566 13.994 73.566 1.00 39.44 O HETATM 2299 O HOH 76 -21.658 19.486 75.055 1.00 44.98 O HETATM 2300 O HOH 77 -40.030 -2.055 81.949 1.00 34.22 O HETATM 2301 O HOH 78 -57.939 13.560 73.490 1.00 40.82 O HETATM 2302 O HOH 79 -22.086 22.171 81.718 1.00 52.29 O HETATM 2303 O HOH 80 -58.875 16.888 75.235 1.00 49.34 O HETATM 2304 O HOH 81 -79.344 7.608 86.532 1.00 29.72 O HETATM 2305 O HOH 82 -21.155 14.396 94.328 1.00 42.64 O HETATM 2306 O HOH 83 -54.382 -1.682 95.083 1.00 45.45 O HETATM 2307 O HOH 84 -61.141 11.791 97.927 1.00 42.72 O HETATM 2308 O HOH 85 -58.971 15.130 72.263 1.00 50.21 O HETATM 2309 O HOH 86 -20.257 18.440 81.364 1.00 44.94 O HETATM 2310 O HOH 87 -33.714 8.867 68.617 1.00 40.64 O HETATM 2311 O HOH 88 -34.175 21.785 81.441 1.00 39.72 O HETATM 2312 O HOH 89 -42.643 -1.746 94.737 1.00 45.69 O HETATM 2313 O HOH 90 -45.245 -7.343 86.866 1.00 46.33 O HETATM 2314 O HOH 91 -31.643 9.230 67.623 1.00 46.77 O HETATM 2315 O HOH 92 -52.610 20.298 85.704 1.00 44.57 O HETATM 2316 O HOH 93 -44.613 0.040 74.268 1.00 33.35 O HETATM 2317 O HOH 94 -16.893 16.617 84.635 1.00 47.73 O HETATM 2318 O HOH 95 -49.374 14.906 90.494 1.00 44.02 O HETATM 2319 O HOH 96 -17.316 18.056 80.861 1.00 42.88 O HETATM 2320 O HOH 97 -25.395 15.336 70.506 1.00 38.62 O HETATM 2321 O HOH 98 -41.752 -4.430 82.810 1.00 39.86 O HETATM 2322 O HOH 99 -35.111 21.910 83.622 1.00 40.83 O HETATM 2323 O HOH 100 -47.169 15.142 89.437 1.00 48.29 O HETATM 2324 O HOH 101 -44.804 -0.564 95.180 1.00 48.45 O HETATM 2325 O HOH 102 -38.524 -5.118 79.934 1.00 36.75 O HETATM 2326 O HOH 103 -51.306 7.919 95.057 1.00 40.63 O HETATM 2327 O HOH 104 -52.367 -0.641 96.901 1.00 59.60 O HETATM 2328 O HOH 105 -81.996 6.189 84.942 1.00 35.13 O HETATM 2329 O HOH 106 -18.348 18.595 85.068 1.00 50.51 O HETATM 2330 O HOH 107 -45.704 -0.311 76.539 1.00 27.18 O HETATM 2331 O HOH 108 -41.789 0.052 76.754 1.00 26.52 O HETATM 2332 O HOH 109 -44.041 -3.234 81.325 1.00 37.67 O HETATM 2333 O HOH 110 -44.247 -2.508 74.125 1.00 31.88 O HETATM 2334 O HOH 111 -46.071 -1.641 80.406 1.00 32.83 O HETATM 2335 O HOH 112 -46.535 -3.028 73.393 1.00 34.57 O HETATM 2336 O HOH 113 -40.908 -5.149 80.070 1.00 38.32 O HETATM 2337 N LYS A 114 -54.071 -5.627 70.884 1.00 0.24 N HETATM 2338 CA LYS A 114 -52.883 -4.780 70.969 1.00 0.07 C HETATM 2339 C LYS A 114 -52.739 -4.166 72.363 1.00 0.23 C HETATM 2340 O LYS A 114 -53.550 -3.328 72.772 1.00 -0.39 O HETATM 2341 N LYS A 114 -51.704 -4.585 73.086 1.00 -0.26 N HETATM 2342 CA LYS A 114 -51.525 -4.176 74.475 1.00 0.16 C HETATM 2343 C LYS A 114 -50.079 -3.823 74.826 1.00 0.21 C HETATM 2344 O LYS A 114 -49.168 -3.927 73.994 1.00 -0.39 O HETATM 2345 N LYS A 114 -49.891 -3.407 76.077 1.00 -0.26 N HETATM 2346 CA LYS A 114 -48.570 -3.224 76.666 1.00 0.15 C HETATM 2347 C LYS A 114 -47.952 -4.585 76.931 1.00 0.21 C HETATM 2348 O LYS A 114 -48.582 -5.611 76.666 1.00 -0.39 O HETATM 2349 N LYS A 114 -46.731 -4.584 77.469 1.00 -0.26 N HETATM 2350 CA LYS A 114 -45.921 -5.792 77.588 1.00 0.16 C HETATM 2351 CB LYS A 114 -44.511 -5.445 78.114 1.00 0.13 C HETATM 2352 CG2 LYS A 114 -43.671 -6.713 78.243 1.00 -0.03 C HETATM 2353 H31 LYS A 114 -42.670 -6.453 78.618 1.00 0.03 H HETATM 2354 H32 LYS A 114 -43.580 -7.194 77.258 1.00 0.03 H HETATM 2355 H33 LYS A 114 -44.158 -7.405 78.946 1.00 0.03 H HETATM 2356 OG1 LYS A 114 -43.868 -4.619 77.164 1.00 -0.27 O HETATM 2357 P LYS A 114 -43.670 -3.114 77.708 1.00 0.20 P HETATM 2358 O1P LYS A 114 -42.911 -2.352 76.502 1.00 -0.55 O HETATM 2359 O2P LYS A 114 -45.070 -2.370 77.957 1.00 -0.55 O HETATM 2360 O3P LYS A 114 -42.844 -3.094 78.943 1.00 -0.55 O HETATM 2361 H30 LYS A 114 -44.586 -4.935 79.086 1.00 0.07 H HETATM 2362 C LYS A 114 -46.525 -6.920 78.417 1.00 0.21 C HETATM 2363 O LYS A 114 -46.907 -6.729 79.575 1.00 -0.39 O HETATM 2364 N LYS A 114 -46.600 -8.096 77.802 1.00 -0.27 N HETATM 2365 CA LYS A 114 -46.995 -9.318 78.488 1.00 0.10 C HETATM 2366 C LYS A 114 -45.866 -9.833 79.377 1.00 0.06 C HETATM 2367 O LYS A 114 -44.700 -9.857 78.962 1.00 -0.57 O HETATM 2368 OXT LYS A 114 -46.102 -10.233 80.524 1.00 -0.57 O HETATM 2369 CB LYS A 114 -47.392 -10.413 77.484 1.00 -0.01 C HETATM 2370 CG1 LYS A 114 -48.715 -10.048 76.806 1.00 -0.05 C HETATM 2371 CD1 LYS A 114 -48.581 -9.777 75.328 1.00 -0.06 C HETATM 2372 H42 LYS A 114 -49.567 -9.523 74.911 1.00 0.02 H HETATM 2373 H43 LYS A 114 -48.190 -10.674 74.825 1.00 0.02 H HETATM 2374 H44 LYS A 114 -47.888 -8.937 75.171 1.00 0.02 H HETATM 2375 H37 LYS A 114 -49.117 -9.146 77.290 1.00 0.03 H HETATM 2376 H38 LYS A 114 -49.419 -10.882 76.944 1.00 0.03 H HETATM 2377 CG2 LYS A 114 -47.481 -11.765 78.181 1.00 -0.06 C HETATM 2378 H39 LYS A 114 -46.517 -11.996 78.657 1.00 0.02 H HETATM 2379 H40 LYS A 114 -47.721 -12.543 77.442 1.00 0.02 H HETATM 2380 H41 LYS A 114 -48.269 -11.731 78.948 1.00 0.02 H HETATM 2381 H36 LYS A 114 -46.613 -10.476 76.710 1.00 0.03 H HETATM 2382 H35 LYS A 114 -47.865 -9.092 79.122 1.00 0.07 H HETATM 2383 H34 LYS A 114 -46.376 -8.143 76.829 1.00 0.19 H HETATM 2384 H29 LYS A 114 -45.804 -6.186 76.568 1.00 0.08 H HETATM 2385 H28 LYS A 114 -46.355 -3.720 77.804 1.00 0.19 H HETATM 2386 CB LYS A 114 -48.651 -2.416 77.967 1.00 0.08 C HETATM 2387 OG LYS A 114 -49.494 -3.044 78.925 1.00 -0.39 O HETATM 2388 H27 LYS A 114 -49.152 -3.906 79.129 1.00 0.21 H HETATM 2389 H25 LYS A 114 -49.051 -1.416 77.741 1.00 0.06 H HETATM 2390 H26 LYS A 114 -47.640 -2.320 78.390 1.00 0.06 H HETATM 2391 H24 LYS A 114 -47.937 -2.676 75.953 1.00 0.08 H HETATM 2392 H23 LYS A 114 -50.694 -3.211 76.639 1.00 0.19 H HETATM 2393 CB LYS A 114 -51.979 -5.287 75.453 1.00 0.09 C HETATM 2394 OG1 LYS A 114 -50.973 -6.305 75.512 1.00 -0.39 O HETATM 2395 H19 LYS A 114 -50.157 -5.925 75.817 1.00 0.21 H HETATM 2396 CG2 LYS A 114 -53.315 -5.905 75.030 1.00 -0.03 C HETATM 2397 H20 LYS A 114 -53.601 -6.687 75.749 1.00 0.03 H HETATM 2398 H21 LYS A 114 -53.214 -6.347 74.028 1.00 0.03 H HETATM 2399 H22 LYS A 114 -54.090 -5.125 75.010 1.00 0.03 H HETATM 2400 H18 LYS A 114 -52.100 -4.845 76.453 1.00 0.06 H HETATM 2401 H17 LYS A 114 -52.148 -3.284 74.640 1.00 0.08 H HETATM 2402 H16 LYS A 114 -51.032 -5.196 72.667 1.00 0.19 H HETATM 2403 CB LYS A 114 -52.937 -3.679 69.918 1.00 0.01 C HETATM 2404 CG LYS A 114 -51.857 -2.638 70.072 1.00 -0.04 C HETATM 2405 CD LYS A 114 -50.475 -3.248 69.898 1.00 -0.01 C HETATM 2406 CE LYS A 114 -49.381 -2.243 70.237 1.00 -0.04 C HETATM 2407 NZ LYS A 114 -49.356 -1.075 69.298 1.00 0.22 N HETATM 2408 H13 LYS A 114 -48.617 -0.444 69.566 1.00 0.20 H HETATM 2409 H14 LYS A 114 -50.240 -0.593 69.338 1.00 0.20 H HETATM 2410 H15 LYS A 114 -49.194 -1.403 68.359 1.00 0.20 H HETATM 2411 H11 LYS A 114 -48.408 -2.753 70.190 1.00 0.08 H HETATM 2412 H12 LYS A 114 -49.550 -1.870 71.258 1.00 0.08 H HETATM 2413 H9 LYS A 114 -50.354 -3.571 68.853 1.00 0.03 H HETATM 2414 H10 LYS A 114 -50.381 -4.119 70.564 1.00 0.03 H HETATM 2415 H7 LYS A 114 -51.929 -2.193 71.075 1.00 0.03 H HETATM 2416 H8 LYS A 114 -52.002 -1.856 69.312 1.00 0.03 H HETATM 2417 H5 LYS A 114 -53.914 -3.179 69.990 1.00 0.03 H HETATM 2418 H6 LYS A 114 -52.834 -4.142 68.925 1.00 0.03 H HETATM 2419 H4 LYS A 114 -52.000 -5.405 70.773 1.00 0.11 H HETATM 2420 H1 LYS A 114 -54.140 -6.017 69.957 1.00 0.20 H HETATM 2421 H2 LYS A 114 -54.892 -5.075 71.078 1.00 0.20 H HETATM 2422 H3 LYS A 114 -54.001 -6.373 71.558 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 2337 2338 2420 2421 2422 CONECT 2338 2337 2339 2403 2419 CONECT 2339 2338 2340 2341 CONECT 2340 2339 CONECT 2341 2339 2342 2402 CONECT 2342 2341 2343 2393 2401 CONECT 2343 2342 2344 2345 CONECT 2344 2343 CONECT 2345 2343 2346 2392 CONECT 2346 2345 2347 2386 2391 CONECT 2347 2346 2348 2349 CONECT 2348 2347 CONECT 2349 2347 2350 2385 CONECT 2350 2349 2351 2362 2384 CONECT 2351 2350 2352 2356 2361 CONECT 2352 2351 2353 2354 2355 CONECT 2353 2352 CONECT 2354 2352 CONECT 2355 2352 CONECT 2356 2351 2357 CONECT 2357 2356 2358 2359 2360 CONECT 2358 2357 CONECT 2359 2357 CONECT 2360 2357 CONECT 2361 2351 CONECT 2362 2350 2363 2364 CONECT 2363 2362 CONECT 2364 2362 2365 2383 CONECT 2365 2364 2366 2369 2382 CONECT 2366 2365 2367 2368 CONECT 2367 2366 CONECT 2368 2366 CONECT 2369 2365 2370 2377 2381 CONECT 2370 2369 2371 2375 2376 CONECT 2371 2370 2372 2373 2374 CONECT 2372 2371 CONECT 2373 2371 CONECT 2374 2371 CONECT 2375 2370 CONECT 2376 2370 CONECT 2377 2369 2378 2379 2380 CONECT 2378 2377 CONECT 2379 2377 CONECT 2380 2377 CONECT 2381 2369 CONECT 2382 2365 CONECT 2383 2364 CONECT 2384 2350 CONECT 2385 2349 CONECT 2386 2346 2387 2389 2390 CONECT 2387 2386 2388 CONECT 2388 2387 CONECT 2389 2386 CONECT 2390 2386 CONECT 2391 2346 CONECT 2392 2345 CONECT 2393 2342 2394 2396 2400 CONECT 2394 2393 2395 CONECT 2395 2394 CONECT 2396 2393 2397 2398 2399 CONECT 2397 2396 CONECT 2398 2396 CONECT 2399 2396 CONECT 2400 2393 CONECT 2401 2342 CONECT 2402 2341 CONECT 2403 2338 2404 2417 2418 CONECT 2404 2403 2405 2415 2416 CONECT 2405 2404 2406 2413 2414 CONECT 2406 2405 2407 2411 2412 CONECT 2407 2406 2408 2409 2410 CONECT 2408 2407 CONECT 2409 2407 CONECT 2410 2407 CONECT 2411 2406 CONECT 2412 2406 CONECT 2413 2405 CONECT 2414 2405 CONECT 2415 2404 CONECT 2416 2404 CONECT 2417 2403 CONECT 2418 2403 CONECT 2419 2338 CONECT 2420 2337 CONECT 2421 2337 CONECT 2422 2337 MASTER 0 0 0 0 0 0 0 0 2421 1 90 18 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5dms
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1q4k
RCSB PDB
PDBbind
259aa, >1Q4K_1|Chains... *
1umw
RCSB PDB
PDBbind
237aa, >1UMW_1|Chains... at 100%
3bzi
RCSB PDB
PDBbind
239aa, >3BZI_1|Chain... at 100%
3fvh
RCSB PDB
PDBbind
237aa, >3FVH_1|Chain... at 98%
3hik
RCSB PDB
PDBbind
237aa, >3HIK_1|Chain... at 100%
3rq7
RCSB PDB
PDBbind
237aa, >3RQ7_1|Chain... at 98%
4dfw
RCSB PDB
PDBbind
237aa, >4DFW_1|Chain... at 100%
4e67
RCSB PDB
PDBbind
232aa, >4E67_1|Chain... at 96%
4e9d
RCSB PDB
PDBbind
232aa, >4E9D_1|Chain... at 96%
4h71
RCSB PDB
PDBbind
240aa, >4H71_1|Chains... at 98%
4hco
RCSB PDB
PDBbind
240aa, >4HCO_1|Chains... at 98%
4lkl
RCSB PDB
PDBbind
222aa, >4LKL_1|Chain... at 100%
4lkm
RCSB PDB
PDBbind
231aa, >4LKM_1|Chains... at 100%
4o6w
RCSB PDB
PDBbind
237aa, >4O6W_1|Chain... at 98%
4o9w
RCSB PDB
PDBbind
222aa, >4O9W_1|Chain... at 100%
4rcp
RCSB PDB
PDBbind
228aa, >4RCP_1|Chain... at 100%
4whh
RCSB PDB
PDBbind
237aa, >4WHH_1|Chain... at 98%
4whl
RCSB PDB
PDBbind
237aa, >4WHL_1|Chain... at 98%
4x9r
RCSB PDB
PDBbind
237aa, >4X9R_1|Chain... at 98%
4x9v
RCSB PDB
PDBbind
237aa, >4X9V_1|Chain... at 98%
4x9w
RCSB PDB
PDBbind
237aa, >4X9W_1|Chain... at 98%
6ax4
RCSB PDB
PDBbind
237aa, >6AX4_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
RCSB PDB
PDBbind
9-mer
1f90
RCSB PDB
PDBbind
9-mer
1fzk
RCSB PDB
PDBbind
9-mer
1fzo
RCSB PDB
PDBbind
9-mer
1g3f
RCSB PDB
PDBbind
9-mer
1g7p
RCSB PDB
PDBbind
9-mer
1gux
RCSB PDB
PDBbind
9-mer
1gwq
RCSB PDB
PDBbind
9-mer
1h24
RCSB PDB
PDBbind
9-mer
1inq
RCSB PDB
PDBbind
9-mer
1jp5
RCSB PDB
PDBbind
9-mer
1juf
RCSB PDB
PDBbind
9-mer
1kl3
RCSB PDB
PDBbind
9-mer
1kl5
RCSB PDB
PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
9-mer
1mfg
RCSB PDB
PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
2e7l
RCSB PDB
PDBbind
9-mer
2gv2
RCSB PDB
PDBbind
9-mer
2h6q
RCSB PDB
PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
5dms
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Serine/threonine-protein kinase PLK1, Mouse Polo-box domain
Ligand Name
9-mer
EC.Number
E.C.2.7.11.21
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=29.58uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Sci Rep Vol. 5: pp. 14626-14626
Ligand Properties
Formula
C
2
3
H
4
8
N
6
O
1
2
P
Molecular Weight
631.634
Exact Mass
631.307
No. of atoms
90
No. of bonds
89
Polar Surface Area
332.95
LOGP Value
-7.87 (
Computed with XLOGP3
)
-3.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 18
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)N[C@@H]([C@H](OP(O)(O)O)C)C(=O)N[C@@H]([C@H](CC)C)C(=O)O)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCCC[NH3+])[NH3+]
InChI String
InChI=1S/C23H47N6O12P/c1-5-11(2)16(23(36)37)27-22(35)18(13(4)41-42(38,39)40)29-20(33)15(10-30)26-21(34)17(12(3)31)28-19(32)14(25)8-6-7-9-24/h11-18,30-31,38-40,42H,5-10,24-25H2,1-4H3,(H,26,34)(H,27,35)(H,28,32)(H,29,33)(H,36,37)/p+2/t11-,12+,13+,14-,15-,16-,17-,18-/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):
Q07832
Q8CDI2
Entrez Gene ID
NCBI Entrez Gene ID:
18817
ASD
Information of known allosteric effects of PDB entries
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