USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 317 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 474 HIS HE2 : A 474 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 478 HIS HE2 : A 478 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD Single : A 446 SER OG : rot 180:sc= 0 USER MOD Single : A 448 SER OG : rot 180:sc= 0 USER MOD Single : A 449 SER OG : rot 180:sc= 0 USER MOD Single : A 451 THR OG1 : rot 180:sc= 0 USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 456 TYR OH : rot 180:sc= 0 USER MOD Single : A 457 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 SER OG : rot 180:sc= 0 USER MOD Single : A 466 SER OG : rot 180:sc= 0.0539 USER MOD Single : A 470 CYS SG : rot -170:sc= -0.0251 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 482 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 484 SER OG : rot 180:sc= 0 USER MOD Single : A 487 SER OG : rot -38:sc= 0.0384 USER MOD Single : A 488 SER OG : rot 180:sc= 0.0136 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 444 30.607 30.770 7.837 1.00 0.00 N ATOM 2 CA GLY A 444 30.536 30.039 6.585 1.00 0.00 C ATOM 3 C GLY A 444 29.242 29.262 6.440 1.00 0.00 C ATOM 4 O GLY A 444 28.235 29.600 7.062 1.00 0.00 O ATOM 0 HA2 GLY A 444 30.632 30.738 5.754 1.00 0.00 H new ATOM 0 HA3 GLY A 444 31.379 29.351 6.521 1.00 0.00 H new ATOM 8 N SER A 445 29.269 28.219 5.617 1.00 0.00 N ATOM 9 CA SER A 445 28.088 27.395 5.388 1.00 0.00 C ATOM 10 C SER A 445 28.430 25.913 5.500 1.00 0.00 C ATOM 11 O SER A 445 28.865 25.290 4.531 1.00 0.00 O ATOM 12 CB SER A 445 27.494 27.691 4.009 1.00 0.00 C ATOM 13 OG SER A 445 26.432 26.801 3.710 1.00 0.00 O ATOM 0 H SER A 445 30.096 27.924 5.098 1.00 0.00 H new ATOM 0 HA SER A 445 27.351 27.638 6.153 1.00 0.00 H new ATOM 0 HB2 SER A 445 27.131 28.718 3.979 1.00 0.00 H new ATOM 0 HB3 SER A 445 28.270 27.604 3.249 1.00 0.00 H new ATOM 0 HG SER A 445 26.068 27.011 2.825 1.00 0.00 H new ATOM 19 N SER A 446 28.229 25.354 6.689 1.00 0.00 N ATOM 20 CA SER A 446 28.519 23.945 6.930 1.00 0.00 C ATOM 21 C SER A 446 27.369 23.274 7.674 1.00 0.00 C ATOM 22 O SER A 446 27.522 22.839 8.815 1.00 0.00 O ATOM 23 CB SER A 446 29.814 23.800 7.732 1.00 0.00 C ATOM 24 OG SER A 446 30.743 24.812 7.388 1.00 0.00 O ATOM 0 H SER A 446 27.867 25.855 7.500 1.00 0.00 H new ATOM 0 HA SER A 446 28.640 23.453 5.965 1.00 0.00 H new ATOM 0 HB2 SER A 446 29.593 23.852 8.798 1.00 0.00 H new ATOM 0 HB3 SER A 446 30.253 22.820 7.545 1.00 0.00 H new ATOM 0 HG SER A 446 31.561 24.698 7.915 1.00 0.00 H new ATOM 30 N GLY A 447 26.215 23.192 7.018 1.00 0.00 N ATOM 31 CA GLY A 447 25.055 22.573 7.632 1.00 0.00 C ATOM 32 C GLY A 447 23.965 22.259 6.626 1.00 0.00 C ATOM 33 O GLY A 447 22.839 22.740 6.750 1.00 0.00 O ATOM 0 H GLY A 447 26.063 23.543 6.072 1.00 0.00 H new ATOM 0 HA2 GLY A 447 25.360 21.654 8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 447 24.657 23.236 8.400 1.00 0.00 H new ATOM 37 N SER A 448 24.300 21.452 5.625 1.00 0.00 N ATOM 38 CA SER A 448 23.343 21.079 4.590 1.00 0.00 C ATOM 39 C SER A 448 22.708 19.727 4.899 1.00 0.00 C ATOM 40 O SER A 448 23.310 18.678 4.669 1.00 0.00 O ATOM 41 CB SER A 448 24.030 21.032 3.223 1.00 0.00 C ATOM 42 OG SER A 448 24.655 22.268 2.924 1.00 0.00 O ATOM 0 H SER A 448 25.227 21.044 5.509 1.00 0.00 H new ATOM 0 HA SER A 448 22.557 21.834 4.568 1.00 0.00 H new ATOM 0 HB2 SER A 448 24.772 20.234 3.213 1.00 0.00 H new ATOM 0 HB3 SER A 448 23.297 20.796 2.452 1.00 0.00 H new ATOM 0 HG SER A 448 25.088 22.212 2.047 1.00 0.00 H new ATOM 48 N SER A 449 21.486 19.760 5.422 1.00 0.00 N ATOM 49 CA SER A 449 20.769 18.538 5.767 1.00 0.00 C ATOM 50 C SER A 449 20.457 17.720 4.517 1.00 0.00 C ATOM 51 O SER A 449 20.248 18.271 3.437 1.00 0.00 O ATOM 52 CB SER A 449 19.474 18.873 6.508 1.00 0.00 C ATOM 53 OG SER A 449 18.879 17.707 7.049 1.00 0.00 O ATOM 0 H SER A 449 20.972 20.620 5.616 1.00 0.00 H new ATOM 0 HA SER A 449 21.408 17.943 6.419 1.00 0.00 H new ATOM 0 HB2 SER A 449 19.683 19.583 7.308 1.00 0.00 H new ATOM 0 HB3 SER A 449 18.776 19.358 5.826 1.00 0.00 H new ATOM 0 HG SER A 449 18.054 17.949 7.519 1.00 0.00 H new ATOM 59 N GLY A 450 20.426 16.400 4.673 1.00 0.00 N ATOM 60 CA GLY A 450 20.139 15.526 3.551 1.00 0.00 C ATOM 61 C GLY A 450 20.628 14.110 3.778 1.00 0.00 C ATOM 62 O GLY A 450 21.393 13.850 4.708 1.00 0.00 O ATOM 0 H GLY A 450 20.595 15.920 5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 450 19.064 15.511 3.372 1.00 0.00 H new ATOM 0 HA3 GLY A 450 20.606 15.929 2.652 1.00 0.00 H new ATOM 66 N THR A 451 20.187 13.189 2.927 1.00 0.00 N ATOM 67 CA THR A 451 20.582 11.791 3.041 1.00 0.00 C ATOM 68 C THR A 451 20.110 10.986 1.836 1.00 0.00 C ATOM 69 O THR A 451 19.087 11.301 1.228 1.00 0.00 O ATOM 70 CB THR A 451 20.019 11.150 4.324 1.00 0.00 C ATOM 71 OG1 THR A 451 20.488 9.803 4.445 1.00 0.00 O ATOM 72 CG2 THR A 451 18.498 11.164 4.313 1.00 0.00 C ATOM 0 H THR A 451 19.556 13.387 2.151 1.00 0.00 H new ATOM 0 HA THR A 451 21.671 11.774 3.083 1.00 0.00 H new ATOM 0 HB THR A 451 20.366 11.733 5.177 1.00 0.00 H new ATOM 0 HG1 THR A 451 20.127 9.403 5.264 1.00 0.00 H new ATOM 0 HG21 THR A 451 18.123 10.706 5.229 1.00 0.00 H new ATOM 0 HG22 THR A 451 18.144 12.193 4.250 1.00 0.00 H new ATOM 0 HG23 THR A 451 18.135 10.603 3.452 1.00 0.00 H new ATOM 80 N GLY A 452 20.861 9.943 1.494 1.00 0.00 N ATOM 81 CA GLY A 452 20.502 9.109 0.362 1.00 0.00 C ATOM 82 C GLY A 452 19.361 8.163 0.678 1.00 0.00 C ATOM 83 O GLY A 452 18.330 8.179 0.007 1.00 0.00 O ATOM 0 H GLY A 452 21.712 9.661 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 452 20.221 9.744 -0.479 1.00 0.00 H new ATOM 0 HA3 GLY A 452 21.372 8.532 0.049 1.00 0.00 H new ATOM 87 N GLU A 453 19.546 7.336 1.702 1.00 0.00 N ATOM 88 CA GLU A 453 18.523 6.377 2.103 1.00 0.00 C ATOM 89 C GLU A 453 17.774 6.865 3.340 1.00 0.00 C ATOM 90 O GLU A 453 18.377 7.128 4.381 1.00 0.00 O ATOM 91 CB GLU A 453 19.154 5.011 2.382 1.00 0.00 C ATOM 92 CG GLU A 453 18.152 3.953 2.811 1.00 0.00 C ATOM 93 CD GLU A 453 18.676 2.543 2.626 1.00 0.00 C ATOM 94 OE1 GLU A 453 18.785 2.099 1.463 1.00 0.00 O ATOM 95 OE2 GLU A 453 18.978 1.883 3.642 1.00 0.00 O ATOM 0 H GLU A 453 20.394 7.311 2.269 1.00 0.00 H new ATOM 0 HA GLU A 453 17.811 6.280 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 453 19.669 4.668 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 453 19.909 5.121 3.161 1.00 0.00 H new ATOM 0 HG2 GLU A 453 17.894 4.106 3.859 1.00 0.00 H new ATOM 0 HG3 GLU A 453 17.234 4.073 2.236 1.00 0.00 H new ATOM 102 N LYS A 454 16.457 6.985 3.218 1.00 0.00 N ATOM 103 CA LYS A 454 15.623 7.441 4.324 1.00 0.00 C ATOM 104 C LYS A 454 14.959 6.261 5.026 1.00 0.00 C ATOM 105 O LYS A 454 14.914 5.152 4.492 1.00 0.00 O ATOM 106 CB LYS A 454 14.556 8.414 3.818 1.00 0.00 C ATOM 107 CG LYS A 454 13.581 7.790 2.835 1.00 0.00 C ATOM 108 CD LYS A 454 12.504 8.777 2.414 1.00 0.00 C ATOM 109 CE LYS A 454 11.543 8.158 1.411 1.00 0.00 C ATOM 110 NZ LYS A 454 10.618 9.172 0.832 1.00 0.00 N ATOM 0 H LYS A 454 15.943 6.773 2.363 1.00 0.00 H new ATOM 0 HA LYS A 454 16.263 7.955 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 454 14.000 8.805 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 454 15.047 9.262 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 454 14.122 7.444 1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 454 13.116 6.915 3.288 1.00 0.00 H new ATOM 0 HD2 LYS A 454 11.951 9.110 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 454 12.969 9.660 1.977 1.00 0.00 H new ATOM 0 HE2 LYS A 454 12.110 7.684 0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 454 10.964 7.374 1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 9.979 8.711 0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 10.059 9.607 1.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 11.169 9.907 0.344 1.00 0.00 H new ATOM 124 N LEU A 455 14.443 6.508 6.225 1.00 0.00 N ATOM 125 CA LEU A 455 13.778 5.466 7.001 1.00 0.00 C ATOM 126 C LEU A 455 12.402 5.151 6.423 1.00 0.00 C ATOM 127 O LEU A 455 11.434 5.870 6.671 1.00 0.00 O ATOM 128 CB LEU A 455 13.644 5.897 8.462 1.00 0.00 C ATOM 129 CG LEU A 455 14.893 5.730 9.329 1.00 0.00 C ATOM 130 CD1 LEU A 455 15.339 4.276 9.347 1.00 0.00 C ATOM 131 CD2 LEU A 455 16.014 6.628 8.827 1.00 0.00 C ATOM 0 H LEU A 455 14.472 7.420 6.681 1.00 0.00 H new ATOM 0 HA LEU A 455 14.388 4.564 6.950 1.00 0.00 H new ATOM 0 HB2 LEU A 455 13.348 6.946 8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 455 12.833 5.327 8.915 1.00 0.00 H new ATOM 0 HG LEU A 455 14.647 6.026 10.349 1.00 0.00 H new ATOM 0 HD11 LEU A 455 16.229 4.176 9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 455 14.541 3.656 9.754 1.00 0.00 H new ATOM 0 HD13 LEU A 455 15.568 3.953 8.331 1.00 0.00 H new ATOM 0 HD21 LEU A 455 16.895 6.496 9.455 1.00 0.00 H new ATOM 0 HD22 LEU A 455 16.259 6.363 7.798 1.00 0.00 H new ATOM 0 HD23 LEU A 455 15.692 7.669 8.867 1.00 0.00 H new ATOM 143 N TYR A 456 12.322 4.071 5.654 1.00 0.00 N ATOM 144 CA TYR A 456 11.064 3.661 5.041 1.00 0.00 C ATOM 145 C TYR A 456 10.146 3.005 6.067 1.00 0.00 C ATOM 146 O TYR A 456 10.485 1.977 6.652 1.00 0.00 O ATOM 147 CB TYR A 456 11.327 2.695 3.884 1.00 0.00 C ATOM 148 CG TYR A 456 12.410 3.164 2.938 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.311 4.388 2.289 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.533 2.382 2.695 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.298 4.819 1.424 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.525 2.806 1.832 1.00 0.00 C ATOM 153 CZ TYR A 456 14.403 4.025 1.199 1.00 0.00 C ATOM 154 OH TYR A 456 15.388 4.452 0.339 1.00 0.00 O ATOM 0 H TYR A 456 13.113 3.464 5.440 1.00 0.00 H new ATOM 0 HA TYR A 456 10.570 4.553 4.656 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.607 1.723 4.290 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.403 2.553 3.323 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.448 5.013 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.632 1.427 3.189 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.205 5.773 0.926 1.00 0.00 H new ATOM 0 HE2 TYR A 456 15.391 2.186 1.654 1.00 0.00 H new ATOM 0 HH TYR A 456 16.097 3.777 0.293 1.00 0.00 H new ATOM 164 N ASN A 457 8.981 3.608 6.280 1.00 0.00 N ATOM 165 CA ASN A 457 8.012 3.083 7.236 1.00 0.00 C ATOM 166 C ASN A 457 6.642 3.722 7.029 1.00 0.00 C ATOM 167 O ASN A 457 6.482 4.934 7.174 1.00 0.00 O ATOM 168 CB ASN A 457 8.492 3.330 8.668 1.00 0.00 C ATOM 169 CG ASN A 457 7.515 2.807 9.703 1.00 0.00 C ATOM 170 OD1 ASN A 457 6.758 1.872 9.442 1.00 0.00 O ATOM 171 ND2 ASN A 457 7.527 3.410 10.886 1.00 0.00 N ATOM 0 H ASN A 457 8.685 4.460 5.804 1.00 0.00 H new ATOM 0 HA ASN A 457 7.921 2.009 7.071 1.00 0.00 H new ATOM 0 HB2 ASN A 457 9.460 2.851 8.812 1.00 0.00 H new ATOM 0 HB3 ASN A 457 8.640 4.399 8.819 1.00 0.00 H new ATOM 0 HD21 ASN A 457 6.892 3.102 11.622 1.00 0.00 H new ATOM 0 HD22 ASN A 457 8.172 4.181 11.059 1.00 0.00 H new ATOM 178 N CYS A 458 5.657 2.899 6.689 1.00 0.00 N ATOM 179 CA CYS A 458 4.300 3.382 6.461 1.00 0.00 C ATOM 180 C CYS A 458 3.668 3.862 7.765 1.00 0.00 C ATOM 181 O CYS A 458 3.091 3.075 8.515 1.00 0.00 O ATOM 182 CB CYS A 458 3.440 2.278 5.842 1.00 0.00 C ATOM 183 SG CYS A 458 1.925 2.883 5.032 1.00 0.00 S ATOM 0 H CYS A 458 5.773 1.893 6.565 1.00 0.00 H new ATOM 0 HA CYS A 458 4.352 4.224 5.770 1.00 0.00 H new ATOM 0 HB2 CYS A 458 4.038 1.733 5.111 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.164 1.567 6.621 1.00 0.00 H new ATOM 188 N LYS A 459 3.782 5.160 8.028 1.00 0.00 N ATOM 189 CA LYS A 459 3.222 5.748 9.239 1.00 0.00 C ATOM 190 C LYS A 459 1.699 5.800 9.164 1.00 0.00 C ATOM 191 O LYS A 459 1.018 5.790 10.188 1.00 0.00 O ATOM 192 CB LYS A 459 3.781 7.156 9.453 1.00 0.00 C ATOM 193 CG LYS A 459 5.261 7.177 9.793 1.00 0.00 C ATOM 194 CD LYS A 459 5.797 8.597 9.865 1.00 0.00 C ATOM 195 CE LYS A 459 7.282 8.650 9.539 1.00 0.00 C ATOM 196 NZ LYS A 459 7.947 9.821 10.174 1.00 0.00 N ATOM 0 H LYS A 459 4.258 5.825 7.418 1.00 0.00 H new ATOM 0 HA LYS A 459 3.506 5.119 10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 459 3.616 7.745 8.551 1.00 0.00 H new ATOM 0 HB3 LYS A 459 3.225 7.640 10.256 1.00 0.00 H new ATOM 0 HG2 LYS A 459 5.423 6.677 10.748 1.00 0.00 H new ATOM 0 HG3 LYS A 459 5.816 6.615 9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 459 5.248 9.230 9.168 1.00 0.00 H new ATOM 0 HD3 LYS A 459 5.628 9.001 10.863 1.00 0.00 H new ATOM 0 HE2 LYS A 459 7.761 7.732 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 459 7.415 8.698 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 8.958 9.822 9.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 7.507 10.698 9.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 7.842 9.762 11.207 1.00 0.00 H new ATOM 210 N GLU A 460 1.172 5.855 7.944 1.00 0.00 N ATOM 211 CA GLU A 460 -0.270 5.909 7.737 1.00 0.00 C ATOM 212 C GLU A 460 -0.968 4.771 8.477 1.00 0.00 C ATOM 213 O GLU A 460 -1.609 4.985 9.506 1.00 0.00 O ATOM 214 CB GLU A 460 -0.597 5.837 6.244 1.00 0.00 C ATOM 215 CG GLU A 460 -0.072 7.021 5.449 1.00 0.00 C ATOM 216 CD GLU A 460 -0.496 6.979 3.994 1.00 0.00 C ATOM 217 OE1 GLU A 460 -1.710 7.094 3.727 1.00 0.00 O ATOM 218 OE2 GLU A 460 0.386 6.832 3.122 1.00 0.00 O ATOM 0 H GLU A 460 1.722 5.863 7.085 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.633 6.856 8.135 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.178 4.919 5.832 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -1.678 5.777 6.120 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -0.430 7.946 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 460 1.016 7.039 5.506 1.00 0.00 H new ATOM 225 N CYS A 461 -0.839 3.560 7.945 1.00 0.00 N ATOM 226 CA CYS A 461 -1.458 2.388 8.552 1.00 0.00 C ATOM 227 C CYS A 461 -0.599 1.849 9.693 1.00 0.00 C ATOM 228 O CYS A 461 -1.105 1.219 10.620 1.00 0.00 O ATOM 229 CB CYS A 461 -1.672 1.296 7.501 1.00 0.00 C ATOM 230 SG CYS A 461 -0.130 0.556 6.873 1.00 0.00 S ATOM 0 H CYS A 461 -0.311 3.365 7.094 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.424 2.687 8.957 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.291 0.509 7.931 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.228 1.717 6.663 1.00 0.00 H new ATOM 235 N GLY A 462 0.704 2.103 9.616 1.00 0.00 N ATOM 236 CA GLY A 462 1.612 1.637 10.648 1.00 0.00 C ATOM 237 C GLY A 462 2.105 0.227 10.392 1.00 0.00 C ATOM 238 O GLY A 462 1.965 -0.652 11.243 1.00 0.00 O ATOM 0 H GLY A 462 1.147 2.623 8.858 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.466 2.312 10.708 1.00 0.00 H new ATOM 0 HA3 GLY A 462 1.108 1.673 11.614 1.00 0.00 H new ATOM 242 N LYS A 463 2.684 0.008 9.216 1.00 0.00 N ATOM 243 CA LYS A 463 3.200 -1.306 8.850 1.00 0.00 C ATOM 244 C LYS A 463 4.645 -1.209 8.372 1.00 0.00 C ATOM 245 O LYS A 463 5.030 -0.237 7.721 1.00 0.00 O ATOM 246 CB LYS A 463 2.331 -1.931 7.756 1.00 0.00 C ATOM 247 CG LYS A 463 1.030 -2.518 8.274 1.00 0.00 C ATOM 248 CD LYS A 463 0.271 -3.247 7.178 1.00 0.00 C ATOM 249 CE LYS A 463 -1.010 -3.872 7.708 1.00 0.00 C ATOM 250 NZ LYS A 463 -0.754 -5.176 8.380 1.00 0.00 N ATOM 0 H LYS A 463 2.808 0.724 8.500 1.00 0.00 H new ATOM 0 HA LYS A 463 3.170 -1.940 9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.105 -1.173 7.006 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.900 -2.715 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 463 1.241 -3.207 9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.407 -1.721 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 463 0.032 -2.550 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 463 0.905 -4.023 6.749 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -1.484 -3.188 8.412 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -1.710 -4.019 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -1.652 -5.570 8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -0.325 -5.838 7.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -0.106 -5.033 9.181 1.00 0.00 H new ATOM 264 N SER A 464 5.441 -2.222 8.698 1.00 0.00 N ATOM 265 CA SER A 464 6.844 -2.249 8.304 1.00 0.00 C ATOM 266 C SER A 464 7.138 -3.460 7.423 1.00 0.00 C ATOM 267 O SER A 464 7.464 -4.539 7.919 1.00 0.00 O ATOM 268 CB SER A 464 7.743 -2.275 9.541 1.00 0.00 C ATOM 269 OG SER A 464 7.187 -1.503 10.591 1.00 0.00 O ATOM 0 H SER A 464 5.138 -3.035 9.234 1.00 0.00 H new ATOM 0 HA SER A 464 7.052 -1.345 7.731 1.00 0.00 H new ATOM 0 HB2 SER A 464 7.879 -3.304 9.874 1.00 0.00 H new ATOM 0 HB3 SER A 464 8.730 -1.890 9.285 1.00 0.00 H new ATOM 0 HG SER A 464 7.779 -1.537 11.371 1.00 0.00 H new ATOM 275 N PHE A 465 7.020 -3.273 6.112 1.00 0.00 N ATOM 276 CA PHE A 465 7.271 -4.349 5.161 1.00 0.00 C ATOM 277 C PHE A 465 8.721 -4.819 5.241 1.00 0.00 C ATOM 278 O PHE A 465 9.610 -4.059 5.624 1.00 0.00 O ATOM 279 CB PHE A 465 6.952 -3.885 3.738 1.00 0.00 C ATOM 280 CG PHE A 465 5.481 -3.830 3.441 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.671 -2.888 4.055 1.00 0.00 C ATOM 282 CD2 PHE A 465 4.907 -4.721 2.548 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.317 -2.836 3.784 1.00 0.00 C ATOM 284 CE2 PHE A 465 3.553 -4.673 2.273 1.00 0.00 C ATOM 285 CZ PHE A 465 2.757 -3.729 2.891 1.00 0.00 C ATOM 0 H PHE A 465 6.752 -2.386 5.685 1.00 0.00 H new ATOM 0 HA PHE A 465 6.621 -5.186 5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.383 -2.896 3.582 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.433 -4.558 3.028 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.103 -2.186 4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 465 5.525 -5.461 2.061 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.697 -2.098 4.270 1.00 0.00 H new ATOM 0 HE2 PHE A 465 3.118 -5.373 1.575 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.699 -3.689 2.677 1.00 0.00 H new ATOM 295 N SER A 466 8.950 -6.077 4.878 1.00 0.00 N ATOM 296 CA SER A 466 10.290 -6.651 4.913 1.00 0.00 C ATOM 297 C SER A 466 11.131 -6.137 3.749 1.00 0.00 C ATOM 298 O SER A 466 12.353 -6.030 3.851 1.00 0.00 O ATOM 299 CB SER A 466 10.215 -8.178 4.869 1.00 0.00 C ATOM 300 OG SER A 466 9.127 -8.612 4.072 1.00 0.00 O ATOM 0 H SER A 466 8.225 -6.718 4.556 1.00 0.00 H new ATOM 0 HA SER A 466 10.766 -6.345 5.845 1.00 0.00 H new ATOM 0 HB2 SER A 466 11.146 -8.580 4.469 1.00 0.00 H new ATOM 0 HB3 SER A 466 10.108 -8.569 5.881 1.00 0.00 H new ATOM 0 HG SER A 466 9.102 -9.592 4.058 1.00 0.00 H new ATOM 306 N ARG A 467 10.467 -5.822 2.641 1.00 0.00 N ATOM 307 CA ARG A 467 11.153 -5.321 1.456 1.00 0.00 C ATOM 308 C ARG A 467 11.063 -3.800 1.378 1.00 0.00 C ATOM 309 O ARG A 467 9.984 -3.241 1.186 1.00 0.00 O ATOM 310 CB ARG A 467 10.554 -5.943 0.193 1.00 0.00 C ATOM 311 CG ARG A 467 10.708 -7.454 0.127 1.00 0.00 C ATOM 312 CD ARG A 467 10.748 -7.947 -1.311 1.00 0.00 C ATOM 313 NE ARG A 467 11.278 -9.304 -1.410 1.00 0.00 N ATOM 314 CZ ARG A 467 11.497 -9.926 -2.563 1.00 0.00 C ATOM 315 NH1 ARG A 467 11.233 -9.314 -3.710 1.00 0.00 N ATOM 316 NH2 ARG A 467 11.981 -11.161 -2.571 1.00 0.00 N ATOM 0 H ARG A 467 9.455 -5.905 2.540 1.00 0.00 H new ATOM 0 HA ARG A 467 12.204 -5.602 1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 467 9.495 -5.692 0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 467 11.030 -5.499 -0.681 1.00 0.00 H new ATOM 0 HG2 ARG A 467 11.623 -7.750 0.640 1.00 0.00 H new ATOM 0 HG3 ARG A 467 9.880 -7.929 0.653 1.00 0.00 H new ATOM 0 HD2 ARG A 467 9.743 -7.919 -1.732 1.00 0.00 H new ATOM 0 HD3 ARG A 467 11.363 -7.273 -1.908 1.00 0.00 H new ATOM 0 HE ARG A 467 11.492 -9.802 -0.546 1.00 0.00 H new ATOM 0 HH11 ARG A 467 10.861 -8.364 -3.707 1.00 0.00 H new ATOM 0 HH12 ARG A 467 11.402 -9.793 -4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 467 12.186 -11.634 -1.691 1.00 0.00 H new ATOM 0 HH22 ARG A 467 12.149 -11.637 -3.457 1.00 0.00 H new ATOM 330 N ALA A 468 12.205 -3.137 1.530 1.00 0.00 N ATOM 331 CA ALA A 468 12.256 -1.681 1.475 1.00 0.00 C ATOM 332 C ALA A 468 11.693 -1.161 0.157 1.00 0.00 C ATOM 333 O ALA A 468 10.780 -0.335 0.126 1.00 0.00 O ATOM 334 CB ALA A 468 13.685 -1.195 1.669 1.00 0.00 C ATOM 0 H ALA A 468 13.107 -3.585 1.692 1.00 0.00 H new ATOM 0 HA ALA A 468 11.638 -1.290 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.708 -0.106 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.054 -1.527 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.318 -1.603 0.881 1.00 0.00 H new ATOM 340 N PRO A 469 12.248 -1.653 -0.960 1.00 0.00 N ATOM 341 CA PRO A 469 11.817 -1.252 -2.302 1.00 0.00 C ATOM 342 C PRO A 469 10.301 -1.293 -2.461 1.00 0.00 C ATOM 343 O PRO A 469 9.703 -0.383 -3.036 1.00 0.00 O ATOM 344 CB PRO A 469 12.478 -2.290 -3.213 1.00 0.00 C ATOM 345 CG PRO A 469 13.672 -2.756 -2.452 1.00 0.00 C ATOM 346 CD PRO A 469 13.340 -2.641 -0.999 1.00 0.00 C ATOM 0 HA PRO A 469 12.099 -0.224 -2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 469 11.800 -3.115 -3.430 1.00 0.00 H new ATOM 0 HB3 PRO A 469 12.764 -1.852 -4.169 1.00 0.00 H new ATOM 0 HG2 PRO A 469 13.916 -3.786 -2.711 1.00 0.00 H new ATOM 0 HG3 PRO A 469 14.545 -2.151 -2.697 1.00 0.00 H new ATOM 0 HD2 PRO A 469 13.026 -3.599 -0.584 1.00 0.00 H new ATOM 0 HD3 PRO A 469 14.200 -2.308 -0.418 1.00 0.00 H new ATOM 354 N CYS A 470 9.686 -2.353 -1.947 1.00 0.00 N ATOM 355 CA CYS A 470 8.238 -2.512 -2.031 1.00 0.00 C ATOM 356 C CYS A 470 7.530 -1.561 -1.072 1.00 0.00 C ATOM 357 O CYS A 470 6.465 -1.027 -1.384 1.00 0.00 O ATOM 358 CB CYS A 470 7.845 -3.957 -1.721 1.00 0.00 C ATOM 359 SG CYS A 470 8.762 -5.192 -2.670 1.00 0.00 S ATOM 0 H CYS A 470 10.167 -3.114 -1.468 1.00 0.00 H new ATOM 0 HA CYS A 470 7.928 -2.269 -3.047 1.00 0.00 H new ATOM 0 HB2 CYS A 470 7.999 -4.144 -0.658 1.00 0.00 H new ATOM 0 HB3 CYS A 470 6.780 -4.082 -1.916 1.00 0.00 H new ATOM 0 HG CYS A 470 8.221 -6.362 -2.497 1.00 0.00 H new ATOM 365 N LEU A 471 8.127 -1.356 0.097 1.00 0.00 N ATOM 366 CA LEU A 471 7.552 -0.471 1.105 1.00 0.00 C ATOM 367 C LEU A 471 7.321 0.925 0.535 1.00 0.00 C ATOM 368 O LEU A 471 6.243 1.501 0.692 1.00 0.00 O ATOM 369 CB LEU A 471 8.471 -0.390 2.325 1.00 0.00 C ATOM 370 CG LEU A 471 7.945 0.422 3.509 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.561 -0.061 3.914 1.00 0.00 C ATOM 372 CD2 LEU A 471 8.907 0.336 4.684 1.00 0.00 C ATOM 0 H LEU A 471 9.009 -1.790 0.370 1.00 0.00 H new ATOM 0 HA LEU A 471 6.590 -0.884 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.676 -1.404 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.422 0.039 2.010 1.00 0.00 H new ATOM 0 HG LEU A 471 7.868 1.466 3.204 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.203 0.528 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 471 5.876 0.054 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.612 -1.111 4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.516 0.920 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 471 9.016 -0.705 4.989 1.00 0.00 H new ATOM 0 HD23 LEU A 471 9.879 0.731 4.388 1.00 0.00 H new ATOM 384 N LEU A 472 8.338 1.463 -0.129 1.00 0.00 N ATOM 385 CA LEU A 472 8.245 2.791 -0.725 1.00 0.00 C ATOM 386 C LEU A 472 7.039 2.889 -1.653 1.00 0.00 C ATOM 387 O LEU A 472 6.452 3.959 -1.817 1.00 0.00 O ATOM 388 CB LEU A 472 9.525 3.115 -1.498 1.00 0.00 C ATOM 389 CG LEU A 472 10.716 3.580 -0.660 1.00 0.00 C ATOM 390 CD1 LEU A 472 12.025 3.179 -1.323 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.664 5.086 -0.448 1.00 0.00 C ATOM 0 H LEU A 472 9.236 1.000 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 472 8.120 3.515 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.823 2.227 -2.056 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.297 3.890 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 472 10.661 3.094 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 472 12.861 3.519 -0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 472 12.065 2.094 -1.422 1.00 0.00 H new ATOM 0 HD13 LEU A 472 12.088 3.636 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.520 5.399 0.151 1.00 0.00 H new ATOM 0 HD22 LEU A 472 10.693 5.591 -1.414 1.00 0.00 H new ATOM 0 HD23 LEU A 472 9.742 5.349 0.071 1.00 0.00 H new ATOM 403 N LYS A 473 6.671 1.764 -2.257 1.00 0.00 N ATOM 404 CA LYS A 473 5.531 1.720 -3.165 1.00 0.00 C ATOM 405 C LYS A 473 4.223 1.591 -2.392 1.00 0.00 C ATOM 406 O LYS A 473 3.189 2.111 -2.811 1.00 0.00 O ATOM 407 CB LYS A 473 5.676 0.551 -4.142 1.00 0.00 C ATOM 408 CG LYS A 473 6.904 0.650 -5.032 1.00 0.00 C ATOM 409 CD LYS A 473 6.749 -0.187 -6.290 1.00 0.00 C ATOM 410 CE LYS A 473 5.989 0.567 -7.371 1.00 0.00 C ATOM 411 NZ LYS A 473 6.882 1.464 -8.154 1.00 0.00 N ATOM 0 H LYS A 473 7.146 0.870 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 473 5.510 2.654 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.721 -0.380 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.786 0.500 -4.769 1.00 0.00 H new ATOM 0 HG2 LYS A 473 7.073 1.691 -5.305 1.00 0.00 H new ATOM 0 HG3 LYS A 473 7.783 0.318 -4.479 1.00 0.00 H new ATOM 0 HD2 LYS A 473 7.733 -0.468 -6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 473 6.223 -1.111 -6.051 1.00 0.00 H new ATOM 0 HE2 LYS A 473 5.511 -0.146 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 473 5.194 1.156 -6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 6.326 1.959 -8.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 7.319 2.161 -7.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 7.626 0.900 -8.612 1.00 0.00 H new ATOM 425 N HIS A 474 4.276 0.895 -1.261 1.00 0.00 N ATOM 426 CA HIS A 474 3.095 0.700 -0.427 1.00 0.00 C ATOM 427 C HIS A 474 2.602 2.029 0.137 1.00 0.00 C ATOM 428 O HIS A 474 1.400 2.289 0.178 1.00 0.00 O ATOM 429 CB HIS A 474 3.404 -0.269 0.714 1.00 0.00 C ATOM 430 CG HIS A 474 2.298 -0.387 1.716 1.00 0.00 C ATOM 431 ND1 HIS A 474 1.135 -1.089 1.475 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.181 0.110 2.970 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.351 -1.016 2.535 1.00 0.00 C ATOM 434 NE2 HIS A 474 0.963 -0.294 3.457 1.00 0.00 N ATOM 0 H HIS A 474 5.124 0.457 -0.901 1.00 0.00 H new ATOM 0 HA HIS A 474 2.307 0.276 -1.050 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.612 -1.254 0.297 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.310 0.059 1.223 1.00 0.00 H new ATOM 0 HD1 HIS A 474 0.915 -1.587 0.612 1.00 0.00 H new ATOM 0 HD2 HIS A 474 2.911 0.713 3.490 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.624 -1.469 2.632 1.00 0.00 H new ATOM 442 N GLU A 475 3.539 2.865 0.572 1.00 0.00 N ATOM 443 CA GLU A 475 3.199 4.166 1.136 1.00 0.00 C ATOM 444 C GLU A 475 2.459 5.025 0.114 1.00 0.00 C ATOM 445 O GLU A 475 1.656 5.885 0.476 1.00 0.00 O ATOM 446 CB GLU A 475 4.463 4.890 1.606 1.00 0.00 C ATOM 447 CG GLU A 475 5.220 4.146 2.694 1.00 0.00 C ATOM 448 CD GLU A 475 6.544 4.802 3.035 1.00 0.00 C ATOM 449 OE1 GLU A 475 6.850 5.860 2.447 1.00 0.00 O ATOM 450 OE2 GLU A 475 7.274 4.257 3.889 1.00 0.00 O ATOM 0 H GLU A 475 4.539 2.665 0.545 1.00 0.00 H new ATOM 0 HA GLU A 475 2.544 4.002 1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.124 5.041 0.753 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.190 5.878 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.603 4.094 3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 475 5.399 3.121 2.371 1.00 0.00 H new ATOM 457 N ARG A 476 2.736 4.785 -1.163 1.00 0.00 N ATOM 458 CA ARG A 476 2.098 5.537 -2.238 1.00 0.00 C ATOM 459 C ARG A 476 0.744 4.932 -2.596 1.00 0.00 C ATOM 460 O ARG A 476 -0.176 5.640 -3.005 1.00 0.00 O ATOM 461 CB ARG A 476 2.999 5.565 -3.474 1.00 0.00 C ATOM 462 CG ARG A 476 4.319 6.286 -3.249 1.00 0.00 C ATOM 463 CD ARG A 476 4.164 7.791 -3.402 1.00 0.00 C ATOM 464 NE ARG A 476 4.204 8.206 -4.802 1.00 0.00 N ATOM 465 CZ ARG A 476 5.313 8.217 -5.533 1.00 0.00 C ATOM 466 NH1 ARG A 476 6.467 7.838 -5.000 1.00 0.00 N ATOM 467 NH2 ARG A 476 5.270 8.608 -6.801 1.00 0.00 N ATOM 0 H ARG A 476 3.398 4.076 -1.479 1.00 0.00 H new ATOM 0 HA ARG A 476 1.940 6.557 -1.889 1.00 0.00 H new ATOM 0 HB2 ARG A 476 3.203 4.541 -3.788 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.465 6.049 -4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.695 6.057 -2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 476 5.060 5.921 -3.960 1.00 0.00 H new ATOM 0 HD2 ARG A 476 3.220 8.105 -2.958 1.00 0.00 H new ATOM 0 HD3 ARG A 476 4.958 8.295 -2.852 1.00 0.00 H new ATOM 0 HE ARG A 476 3.333 8.503 -5.242 1.00 0.00 H new ATOM 0 HH11 ARG A 476 6.505 7.537 -4.026 1.00 0.00 H new ATOM 0 HH12 ARG A 476 7.317 7.848 -5.564 1.00 0.00 H new ATOM 0 HH21 ARG A 476 4.385 8.900 -7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 476 6.122 8.616 -7.361 1.00 0.00 H new ATOM 481 N LEU A 477 0.630 3.617 -2.440 1.00 0.00 N ATOM 482 CA LEU A 477 -0.611 2.915 -2.747 1.00 0.00 C ATOM 483 C LEU A 477 -1.774 3.489 -1.945 1.00 0.00 C ATOM 484 O LEU A 477 -2.904 3.558 -2.431 1.00 0.00 O ATOM 485 CB LEU A 477 -0.462 1.422 -2.453 1.00 0.00 C ATOM 486 CG LEU A 477 0.331 0.612 -3.479 1.00 0.00 C ATOM 487 CD1 LEU A 477 0.633 -0.779 -2.943 1.00 0.00 C ATOM 488 CD2 LEU A 477 -0.431 0.525 -4.794 1.00 0.00 C ATOM 0 H LEU A 477 1.382 3.016 -2.103 1.00 0.00 H new ATOM 0 HA LEU A 477 -0.823 3.051 -3.808 1.00 0.00 H new ATOM 0 HB2 LEU A 477 0.019 1.310 -1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -1.458 0.988 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 477 1.277 1.121 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 477 1.198 -1.341 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 477 1.219 -0.697 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -0.302 -1.298 -2.730 1.00 0.00 H new ATOM 0 HD21 LEU A 477 0.148 -0.055 -5.512 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.392 0.039 -4.626 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.595 1.529 -5.186 1.00 0.00 H new ATOM 500 N HIS A 478 -1.490 3.902 -0.713 1.00 0.00 N ATOM 501 CA HIS A 478 -2.513 4.474 0.156 1.00 0.00 C ATOM 502 C HIS A 478 -3.144 5.706 -0.484 1.00 0.00 C ATOM 503 O HIS A 478 -2.565 6.792 -0.467 1.00 0.00 O ATOM 504 CB HIS A 478 -1.911 4.842 1.513 1.00 0.00 C ATOM 505 CG HIS A 478 -1.835 3.690 2.467 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.851 3.369 3.341 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.856 2.779 2.679 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.501 2.311 4.052 1.00 0.00 C ATOM 509 NE2 HIS A 478 -1.294 1.934 3.669 1.00 0.00 N ATOM 0 H HIS A 478 -0.561 3.851 -0.295 1.00 0.00 H new ATOM 0 HA HIS A 478 -3.291 3.724 0.302 1.00 0.00 H new ATOM 0 HB2 HIS A 478 -0.909 5.243 1.360 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -2.507 5.636 1.962 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.735 3.870 3.426 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.093 2.727 2.165 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -3.099 1.836 4.815 1.00 0.00 H new ATOM 517 N SER A 479 -4.334 5.529 -1.050 1.00 0.00 N ATOM 518 CA SER A 479 -5.042 6.625 -1.701 1.00 0.00 C ATOM 519 C SER A 479 -6.545 6.517 -1.465 1.00 0.00 C ATOM 520 O SER A 479 -7.110 5.424 -1.479 1.00 0.00 O ATOM 521 CB SER A 479 -4.749 6.630 -3.202 1.00 0.00 C ATOM 522 OG SER A 479 -4.894 7.930 -3.746 1.00 0.00 O ATOM 0 H SER A 479 -4.828 4.637 -1.071 1.00 0.00 H new ATOM 0 HA SER A 479 -4.690 7.561 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 479 -3.736 6.269 -3.379 1.00 0.00 H new ATOM 0 HB3 SER A 479 -5.425 5.942 -3.710 1.00 0.00 H new ATOM 0 HG SER A 479 -4.700 7.906 -4.706 1.00 0.00 H new ATOM 528 N GLY A 480 -7.187 7.661 -1.247 1.00 0.00 N ATOM 529 CA GLY A 480 -8.619 7.674 -1.010 1.00 0.00 C ATOM 530 C GLY A 480 -9.404 8.124 -2.227 1.00 0.00 C ATOM 531 O GLY A 480 -9.522 7.386 -3.204 1.00 0.00 O ATOM 0 H GLY A 480 -6.741 8.578 -1.230 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -8.945 6.675 -0.720 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -8.840 8.337 -0.173 1.00 0.00 H new ATOM 535 N GLU A 481 -9.942 9.338 -2.166 1.00 0.00 N ATOM 536 CA GLU A 481 -10.722 9.883 -3.271 1.00 0.00 C ATOM 537 C GLU A 481 -9.993 11.054 -3.925 1.00 0.00 C ATOM 538 O GLU A 481 -9.905 11.139 -5.150 1.00 0.00 O ATOM 539 CB GLU A 481 -12.098 10.335 -2.780 1.00 0.00 C ATOM 540 CG GLU A 481 -13.112 9.207 -2.685 1.00 0.00 C ATOM 541 CD GLU A 481 -14.287 9.552 -1.791 1.00 0.00 C ATOM 542 OE1 GLU A 481 -14.332 10.693 -1.285 1.00 0.00 O ATOM 543 OE2 GLU A 481 -15.161 8.681 -1.597 1.00 0.00 O ATOM 0 H GLU A 481 -9.852 9.962 -1.364 1.00 0.00 H new ATOM 0 HA GLU A 481 -10.851 9.096 -4.014 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -11.990 10.799 -1.799 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -12.481 11.101 -3.454 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -13.478 8.968 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -12.620 8.313 -2.303 1.00 0.00 H new ATOM 550 N LYS A 482 -9.474 11.956 -3.099 1.00 0.00 N ATOM 551 CA LYS A 482 -8.752 13.122 -3.595 1.00 0.00 C ATOM 552 C LYS A 482 -7.539 13.423 -2.720 1.00 0.00 C ATOM 553 O LYS A 482 -7.446 12.984 -1.574 1.00 0.00 O ATOM 554 CB LYS A 482 -9.678 14.340 -3.638 1.00 0.00 C ATOM 555 CG LYS A 482 -10.435 14.482 -4.947 1.00 0.00 C ATOM 556 CD LYS A 482 -11.069 15.857 -5.077 1.00 0.00 C ATOM 557 CE LYS A 482 -12.001 15.929 -6.277 1.00 0.00 C ATOM 558 NZ LYS A 482 -12.891 17.122 -6.217 1.00 0.00 N ATOM 0 H LYS A 482 -9.540 11.902 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 482 -8.404 12.901 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -10.394 14.271 -2.819 1.00 0.00 H new ATOM 0 HB3 LYS A 482 -9.088 15.241 -3.470 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -9.755 14.313 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -11.209 13.716 -5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 482 -11.625 16.090 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -10.288 16.611 -5.175 1.00 0.00 H new ATOM 0 HE2 LYS A 482 -11.412 15.961 -7.193 1.00 0.00 H new ATOM 0 HE3 LYS A 482 -12.608 15.025 -6.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 -13.511 17.135 -7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 -13.472 17.079 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 -12.313 17.986 -6.201 1.00 0.00 H new ATOM 572 N PRO A 483 -6.587 14.190 -3.272 1.00 0.00 N ATOM 573 CA PRO A 483 -5.364 14.569 -2.558 1.00 0.00 C ATOM 574 C PRO A 483 -5.635 15.550 -1.423 1.00 0.00 C ATOM 575 O PRO A 483 -4.900 15.591 -0.436 1.00 0.00 O ATOM 576 CB PRO A 483 -4.510 15.229 -3.643 1.00 0.00 C ATOM 577 CG PRO A 483 -5.492 15.729 -4.646 1.00 0.00 C ATOM 578 CD PRO A 483 -6.632 14.748 -4.634 1.00 0.00 C ATOM 0 HA PRO A 483 -4.887 13.711 -2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 483 -3.911 16.043 -3.235 1.00 0.00 H new ATOM 0 HB3 PRO A 483 -3.816 14.516 -4.089 1.00 0.00 H new ATOM 0 HG2 PRO A 483 -5.836 16.731 -4.389 1.00 0.00 H new ATOM 0 HG3 PRO A 483 -5.041 15.791 -5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -7.585 15.237 -4.837 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -6.504 13.973 -5.390 1.00 0.00 H new ATOM 586 N SER A 484 -6.695 16.338 -1.569 1.00 0.00 N ATOM 587 CA SER A 484 -7.061 17.322 -0.556 1.00 0.00 C ATOM 588 C SER A 484 -8.148 16.776 0.364 1.00 0.00 C ATOM 589 O SER A 484 -8.843 15.820 0.023 1.00 0.00 O ATOM 590 CB SER A 484 -7.541 18.614 -1.220 1.00 0.00 C ATOM 591 OG SER A 484 -6.449 19.457 -1.545 1.00 0.00 O ATOM 0 H SER A 484 -7.315 16.315 -2.378 1.00 0.00 H new ATOM 0 HA SER A 484 -6.176 17.536 0.043 1.00 0.00 H new ATOM 0 HB2 SER A 484 -8.102 18.375 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 484 -8.223 19.139 -0.551 1.00 0.00 H new ATOM 0 HG SER A 484 -6.782 20.275 -1.970 1.00 0.00 H new ATOM 597 N GLY A 485 -8.288 17.391 1.535 1.00 0.00 N ATOM 598 CA GLY A 485 -9.292 16.953 2.487 1.00 0.00 C ATOM 599 C GLY A 485 -10.643 17.596 2.243 1.00 0.00 C ATOM 600 O GLY A 485 -10.800 18.447 1.367 1.00 0.00 O ATOM 0 H GLY A 485 -7.724 18.184 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -9.393 15.869 2.430 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -8.958 17.189 3.497 1.00 0.00 H new ATOM 604 N PRO A 486 -11.649 17.185 3.029 1.00 0.00 N ATOM 605 CA PRO A 486 -13.011 17.712 2.911 1.00 0.00 C ATOM 606 C PRO A 486 -13.113 19.162 3.372 1.00 0.00 C ATOM 607 O PRO A 486 -12.225 19.670 4.056 1.00 0.00 O ATOM 608 CB PRO A 486 -13.826 16.800 3.832 1.00 0.00 C ATOM 609 CG PRO A 486 -12.841 16.289 4.826 1.00 0.00 C ATOM 610 CD PRO A 486 -11.533 16.174 4.093 1.00 0.00 C ATOM 0 HA PRO A 486 -13.358 17.717 1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 486 -14.632 17.348 4.319 1.00 0.00 H new ATOM 0 HB3 PRO A 486 -14.286 15.984 3.275 1.00 0.00 H new ATOM 0 HG2 PRO A 486 -12.754 16.968 5.674 1.00 0.00 H new ATOM 0 HG3 PRO A 486 -13.152 15.322 5.222 1.00 0.00 H new ATOM 0 HD2 PRO A 486 -10.686 16.376 4.749 1.00 0.00 H new ATOM 0 HD3 PRO A 486 -11.388 15.174 3.684 1.00 0.00 H new ATOM 618 N SER A 487 -14.202 19.824 2.994 1.00 0.00 N ATOM 619 CA SER A 487 -14.419 21.217 3.366 1.00 0.00 C ATOM 620 C SER A 487 -15.900 21.576 3.291 1.00 0.00 C ATOM 621 O SER A 487 -16.541 21.396 2.256 1.00 0.00 O ATOM 622 CB SER A 487 -13.611 22.142 2.454 1.00 0.00 C ATOM 623 OG SER A 487 -12.332 21.597 2.178 1.00 0.00 O ATOM 0 H SER A 487 -14.948 19.417 2.430 1.00 0.00 H new ATOM 0 HA SER A 487 -14.084 21.349 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 487 -14.151 22.300 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 487 -13.500 23.118 2.927 1.00 0.00 H new ATOM 0 HG SER A 487 -11.982 21.160 2.982 1.00 0.00 H new ATOM 629 N SER A 488 -16.436 22.084 4.396 1.00 0.00 N ATOM 630 CA SER A 488 -17.842 22.465 4.458 1.00 0.00 C ATOM 631 C SER A 488 -17.993 23.983 4.486 1.00 0.00 C ATOM 632 O SER A 488 -17.021 24.711 4.685 1.00 0.00 O ATOM 633 CB SER A 488 -18.504 21.852 5.693 1.00 0.00 C ATOM 634 OG SER A 488 -17.604 21.809 6.786 1.00 0.00 O ATOM 0 H SER A 488 -15.918 22.241 5.260 1.00 0.00 H new ATOM 0 HA SER A 488 -18.336 22.085 3.564 1.00 0.00 H new ATOM 0 HB2 SER A 488 -19.384 22.435 5.965 1.00 0.00 H new ATOM 0 HB3 SER A 488 -18.849 20.844 5.462 1.00 0.00 H new ATOM 0 HG SER A 488 -18.052 21.415 7.563 1.00 0.00 H new ATOM 640 N GLY A 489 -19.220 24.454 4.286 1.00 0.00 N ATOM 641 CA GLY A 489 -19.477 25.882 4.293 1.00 0.00 C ATOM 642 C GLY A 489 -20.953 26.206 4.165 1.00 0.00 C ATOM 643 O GLY A 489 -21.770 25.287 4.173 1.00 0.00 O ATOM 0 H GLY A 489 -20.041 23.872 4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 489 -19.092 26.313 5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 489 -18.933 26.350 3.473 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.344 1.171 4.669 1.00 0.00 ZN