USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=16 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= -1.33 K(o=-1.3,f=-0.23) USER MOD Single : A 459 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.00379) USER MOD Single : A 463 LYS NZ :NH3+ 158:sc= -0.0417 (180deg=-0.341) USER MOD Single : A 464 SER OG : rot 46:sc= 0.0385 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 470 CYS SG : rot 180:sc= 0 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+ 161:sc= -0.044 (180deg=-0.293) USER MOD Single : A 484 SER OG : rot 180:sc= 0 USER MOD Single : A 487 SER OG : rot 180:sc= 0 USER MOD Single : A 488 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 444 32.120 32.152 14.372 1.00 0.00 N ATOM 2 CA GLY A 444 31.304 33.159 13.718 1.00 0.00 C ATOM 3 C GLY A 444 29.966 32.614 13.261 1.00 0.00 C ATOM 4 O GLY A 444 28.995 32.618 14.018 1.00 0.00 O ATOM 0 HA2 GLY A 444 31.139 33.990 14.404 1.00 0.00 H new ATOM 0 HA3 GLY A 444 31.843 33.557 12.859 1.00 0.00 H new ATOM 8 N SER A 445 29.913 32.144 12.019 1.00 0.00 N ATOM 9 CA SER A 445 28.682 31.598 11.460 1.00 0.00 C ATOM 10 C SER A 445 28.905 30.184 10.933 1.00 0.00 C ATOM 11 O SER A 445 29.792 29.947 10.114 1.00 0.00 O ATOM 12 CB SER A 445 28.165 32.497 10.335 1.00 0.00 C ATOM 13 OG SER A 445 27.328 31.775 9.449 1.00 0.00 O ATOM 0 H SER A 445 30.708 32.130 11.381 1.00 0.00 H new ATOM 0 HA SER A 445 27.938 31.558 12.255 1.00 0.00 H new ATOM 0 HB2 SER A 445 27.613 33.335 10.760 1.00 0.00 H new ATOM 0 HB3 SER A 445 29.007 32.916 9.784 1.00 0.00 H new ATOM 0 HG SER A 445 27.010 32.372 8.740 1.00 0.00 H new ATOM 19 N SER A 446 28.092 29.246 11.411 1.00 0.00 N ATOM 20 CA SER A 446 28.203 27.854 10.992 1.00 0.00 C ATOM 21 C SER A 446 27.527 27.638 9.641 1.00 0.00 C ATOM 22 O SER A 446 26.900 28.545 9.096 1.00 0.00 O ATOM 23 CB SER A 446 27.577 26.933 12.041 1.00 0.00 C ATOM 24 OG SER A 446 28.067 27.229 13.337 1.00 0.00 O ATOM 0 H SER A 446 27.350 29.425 12.088 1.00 0.00 H new ATOM 0 HA SER A 446 29.261 27.613 10.892 1.00 0.00 H new ATOM 0 HB2 SER A 446 26.493 27.043 12.025 1.00 0.00 H new ATOM 0 HB3 SER A 446 27.796 25.894 11.794 1.00 0.00 H new ATOM 0 HG SER A 446 27.650 26.628 13.989 1.00 0.00 H new ATOM 30 N GLY A 447 27.660 26.427 9.107 1.00 0.00 N ATOM 31 CA GLY A 447 27.058 26.112 7.824 1.00 0.00 C ATOM 32 C GLY A 447 26.770 24.632 7.667 1.00 0.00 C ATOM 33 O GLY A 447 26.943 24.071 6.585 1.00 0.00 O ATOM 0 H GLY A 447 28.173 25.659 9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 447 26.130 26.673 7.714 1.00 0.00 H new ATOM 0 HA3 GLY A 447 27.724 26.436 7.024 1.00 0.00 H new ATOM 37 N SER A 448 26.331 23.998 8.749 1.00 0.00 N ATOM 38 CA SER A 448 26.024 22.573 8.728 1.00 0.00 C ATOM 39 C SER A 448 24.525 22.342 8.569 1.00 0.00 C ATOM 40 O SER A 448 23.717 22.903 9.310 1.00 0.00 O ATOM 41 CB SER A 448 26.521 21.903 10.011 1.00 0.00 C ATOM 42 OG SER A 448 27.916 21.661 9.953 1.00 0.00 O ATOM 0 H SER A 448 26.180 24.449 9.651 1.00 0.00 H new ATOM 0 HA SER A 448 26.535 22.130 7.873 1.00 0.00 H new ATOM 0 HB2 SER A 448 26.294 22.538 10.868 1.00 0.00 H new ATOM 0 HB3 SER A 448 25.992 20.962 10.162 1.00 0.00 H new ATOM 0 HG SER A 448 28.209 21.234 10.785 1.00 0.00 H new ATOM 48 N SER A 449 24.160 21.514 7.596 1.00 0.00 N ATOM 49 CA SER A 449 22.757 21.211 7.335 1.00 0.00 C ATOM 50 C SER A 449 22.621 19.934 6.512 1.00 0.00 C ATOM 51 O SER A 449 23.613 19.288 6.179 1.00 0.00 O ATOM 52 CB SER A 449 22.090 22.377 6.604 1.00 0.00 C ATOM 53 OG SER A 449 22.890 22.828 5.525 1.00 0.00 O ATOM 0 H SER A 449 24.816 21.041 6.975 1.00 0.00 H new ATOM 0 HA SER A 449 22.259 21.059 8.293 1.00 0.00 H new ATOM 0 HB2 SER A 449 21.114 22.066 6.232 1.00 0.00 H new ATOM 0 HB3 SER A 449 21.919 23.197 7.301 1.00 0.00 H new ATOM 0 HG SER A 449 22.440 23.572 5.073 1.00 0.00 H new ATOM 59 N GLY A 450 21.382 19.577 6.186 1.00 0.00 N ATOM 60 CA GLY A 450 21.137 18.379 5.404 1.00 0.00 C ATOM 61 C GLY A 450 20.865 17.166 6.272 1.00 0.00 C ATOM 62 O GLY A 450 21.506 16.126 6.117 1.00 0.00 O ATOM 0 H GLY A 450 20.544 20.096 6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 450 20.286 18.548 4.744 1.00 0.00 H new ATOM 0 HA3 GLY A 450 22.000 18.181 4.768 1.00 0.00 H new ATOM 66 N THR A 451 19.912 17.298 7.189 1.00 0.00 N ATOM 67 CA THR A 451 19.559 16.206 8.087 1.00 0.00 C ATOM 68 C THR A 451 18.257 15.540 7.657 1.00 0.00 C ATOM 69 O THR A 451 17.176 15.921 8.104 1.00 0.00 O ATOM 70 CB THR A 451 19.415 16.697 9.540 1.00 0.00 C ATOM 71 OG1 THR A 451 20.512 17.554 9.878 1.00 0.00 O ATOM 72 CG2 THR A 451 19.365 15.523 10.506 1.00 0.00 C ATOM 0 H THR A 451 19.371 18.151 7.329 1.00 0.00 H new ATOM 0 HA THR A 451 20.370 15.480 8.035 1.00 0.00 H new ATOM 0 HB THR A 451 18.481 17.253 9.622 1.00 0.00 H new ATOM 0 HG1 THR A 451 20.413 17.863 10.803 1.00 0.00 H new ATOM 0 HG21 THR A 451 19.263 15.895 11.526 1.00 0.00 H new ATOM 0 HG22 THR A 451 18.512 14.889 10.264 1.00 0.00 H new ATOM 0 HG23 THR A 451 20.284 14.943 10.421 1.00 0.00 H new ATOM 80 N GLY A 452 18.368 14.542 6.786 1.00 0.00 N ATOM 81 CA GLY A 452 17.191 13.838 6.310 1.00 0.00 C ATOM 82 C GLY A 452 17.470 12.378 6.012 1.00 0.00 C ATOM 83 O GLY A 452 18.285 12.060 5.146 1.00 0.00 O ATOM 0 H GLY A 452 19.252 14.208 6.401 1.00 0.00 H new ATOM 0 HA2 GLY A 452 16.402 13.909 7.058 1.00 0.00 H new ATOM 0 HA3 GLY A 452 16.820 14.325 5.408 1.00 0.00 H new ATOM 87 N GLU A 453 16.792 11.489 6.731 1.00 0.00 N ATOM 88 CA GLU A 453 16.974 10.055 6.540 1.00 0.00 C ATOM 89 C GLU A 453 15.833 9.467 5.714 1.00 0.00 C ATOM 90 O GLU A 453 14.719 9.991 5.712 1.00 0.00 O ATOM 91 CB GLU A 453 17.059 9.344 7.892 1.00 0.00 C ATOM 92 CG GLU A 453 17.672 7.956 7.813 1.00 0.00 C ATOM 93 CD GLU A 453 19.170 7.993 7.576 1.00 0.00 C ATOM 94 OE1 GLU A 453 19.581 8.143 6.407 1.00 0.00 O ATOM 95 OE2 GLU A 453 19.929 7.871 8.560 1.00 0.00 O ATOM 0 H GLU A 453 16.112 11.736 7.450 1.00 0.00 H new ATOM 0 HA GLU A 453 17.908 9.902 5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 453 17.648 9.954 8.577 1.00 0.00 H new ATOM 0 HB3 GLU A 453 16.058 9.266 8.315 1.00 0.00 H new ATOM 0 HG2 GLU A 453 17.468 7.419 8.739 1.00 0.00 H new ATOM 0 HG3 GLU A 453 17.194 7.397 7.008 1.00 0.00 H new ATOM 102 N LYS A 454 16.119 8.376 5.013 1.00 0.00 N ATOM 103 CA LYS A 454 15.119 7.714 4.183 1.00 0.00 C ATOM 104 C LYS A 454 14.530 6.504 4.901 1.00 0.00 C ATOM 105 O LYS A 454 14.369 5.436 4.309 1.00 0.00 O ATOM 106 CB LYS A 454 15.737 7.280 2.852 1.00 0.00 C ATOM 107 CG LYS A 454 16.850 6.258 3.003 1.00 0.00 C ATOM 108 CD LYS A 454 17.767 6.249 1.791 1.00 0.00 C ATOM 109 CE LYS A 454 18.711 7.441 1.799 1.00 0.00 C ATOM 110 NZ LYS A 454 19.858 7.245 0.870 1.00 0.00 N ATOM 0 H LYS A 454 17.036 7.930 5.003 1.00 0.00 H new ATOM 0 HA LYS A 454 14.316 8.425 3.989 1.00 0.00 H new ATOM 0 HB2 LYS A 454 14.955 6.863 2.217 1.00 0.00 H new ATOM 0 HB3 LYS A 454 16.129 8.158 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 454 17.431 6.481 3.898 1.00 0.00 H new ATOM 0 HG3 LYS A 454 16.419 5.267 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 454 18.345 5.325 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 454 17.168 6.263 0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 454 18.164 8.340 1.516 1.00 0.00 H new ATOM 0 HE3 LYS A 454 19.086 7.601 2.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 20.479 8.079 0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 20.395 6.402 1.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 19.502 7.118 -0.099 1.00 0.00 H new ATOM 124 N LEU A 455 14.209 6.678 6.178 1.00 0.00 N ATOM 125 CA LEU A 455 13.636 5.601 6.977 1.00 0.00 C ATOM 126 C LEU A 455 12.267 5.195 6.442 1.00 0.00 C ATOM 127 O LEU A 455 11.257 5.829 6.749 1.00 0.00 O ATOM 128 CB LEU A 455 13.518 6.031 8.440 1.00 0.00 C ATOM 129 CG LEU A 455 14.817 6.028 9.248 1.00 0.00 C ATOM 130 CD1 LEU A 455 14.617 6.727 10.584 1.00 0.00 C ATOM 131 CD2 LEU A 455 15.310 4.604 9.458 1.00 0.00 C ATOM 0 H LEU A 455 14.336 7.555 6.683 1.00 0.00 H new ATOM 0 HA LEU A 455 14.301 4.740 6.911 1.00 0.00 H new ATOM 0 HB2 LEU A 455 13.098 7.036 8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 455 12.804 5.372 8.935 1.00 0.00 H new ATOM 0 HG LEU A 455 15.574 6.575 8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 455 15.552 6.715 11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 455 14.310 7.759 10.412 1.00 0.00 H new ATOM 0 HD13 LEU A 455 13.846 6.209 11.154 1.00 0.00 H new ATOM 0 HD21 LEU A 455 16.235 4.620 10.035 1.00 0.00 H new ATOM 0 HD22 LEU A 455 14.555 4.034 9.999 1.00 0.00 H new ATOM 0 HD23 LEU A 455 15.494 4.136 8.491 1.00 0.00 H new ATOM 143 N TYR A 456 12.240 4.135 5.643 1.00 0.00 N ATOM 144 CA TYR A 456 10.994 3.645 5.065 1.00 0.00 C ATOM 145 C TYR A 456 10.109 3.011 6.135 1.00 0.00 C ATOM 146 O TYR A 456 10.455 1.981 6.712 1.00 0.00 O ATOM 147 CB TYR A 456 11.285 2.627 3.961 1.00 0.00 C ATOM 148 CG TYR A 456 12.351 3.078 2.988 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.271 4.318 2.365 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.438 2.265 2.691 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.242 4.734 1.475 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.414 2.674 1.803 1.00 0.00 C ATOM 153 CZ TYR A 456 14.312 3.909 1.198 1.00 0.00 C ATOM 154 OH TYR A 456 15.282 4.319 0.312 1.00 0.00 O ATOM 0 H TYR A 456 13.067 3.598 5.380 1.00 0.00 H new ATOM 0 HA TYR A 456 10.463 4.495 4.636 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.596 1.687 4.417 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.365 2.426 3.412 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.435 4.967 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.521 1.297 3.162 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.164 5.700 0.999 1.00 0.00 H new ATOM 0 HE2 TYR A 456 15.253 2.030 1.584 1.00 0.00 H new ATOM 0 HH TYR A 456 15.966 3.622 0.230 1.00 0.00 H new ATOM 164 N ASN A 457 8.965 3.636 6.393 1.00 0.00 N ATOM 165 CA ASN A 457 8.029 3.135 7.393 1.00 0.00 C ATOM 166 C ASN A 457 6.652 3.766 7.213 1.00 0.00 C ATOM 167 O ASN A 457 6.495 4.983 7.321 1.00 0.00 O ATOM 168 CB ASN A 457 8.554 3.422 8.802 1.00 0.00 C ATOM 169 CG ASN A 457 7.694 2.789 9.879 1.00 0.00 C ATOM 170 OD1 ASN A 457 8.052 1.759 10.449 1.00 0.00 O ATOM 171 ND2 ASN A 457 6.551 3.405 10.161 1.00 0.00 N ATOM 0 H ASN A 457 8.664 4.490 5.924 1.00 0.00 H new ATOM 0 HA ASN A 457 7.935 2.057 7.260 1.00 0.00 H new ATOM 0 HB2 ASN A 457 9.574 3.049 8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 457 8.594 4.500 8.959 1.00 0.00 H new ATOM 0 HD21 ASN A 457 5.930 3.026 10.876 1.00 0.00 H new ATOM 0 HD22 ASN A 457 6.295 4.257 9.663 1.00 0.00 H new ATOM 178 N CYS A 458 5.655 2.930 6.939 1.00 0.00 N ATOM 179 CA CYS A 458 4.291 3.404 6.745 1.00 0.00 C ATOM 180 C CYS A 458 3.682 3.868 8.065 1.00 0.00 C ATOM 181 O CYS A 458 3.677 3.132 9.052 1.00 0.00 O ATOM 182 CB CYS A 458 3.427 2.299 6.134 1.00 0.00 C ATOM 183 SG CYS A 458 1.896 2.899 5.350 1.00 0.00 S ATOM 0 H CYS A 458 5.767 1.920 6.846 1.00 0.00 H new ATOM 0 HA CYS A 458 4.323 4.253 6.062 1.00 0.00 H new ATOM 0 HB2 CYS A 458 4.016 1.761 5.391 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.167 1.583 6.914 1.00 0.00 H new ATOM 188 N LYS A 459 3.170 5.094 8.076 1.00 0.00 N ATOM 189 CA LYS A 459 2.558 5.658 9.273 1.00 0.00 C ATOM 190 C LYS A 459 1.041 5.720 9.130 1.00 0.00 C ATOM 191 O LYS A 459 0.313 5.668 10.120 1.00 0.00 O ATOM 192 CB LYS A 459 3.113 7.058 9.543 1.00 0.00 C ATOM 193 CG LYS A 459 4.630 7.110 9.607 1.00 0.00 C ATOM 194 CD LYS A 459 5.153 6.524 10.907 1.00 0.00 C ATOM 195 CE LYS A 459 6.526 7.079 11.257 1.00 0.00 C ATOM 196 NZ LYS A 459 6.439 8.450 11.831 1.00 0.00 N ATOM 0 H LYS A 459 3.167 5.717 7.268 1.00 0.00 H new ATOM 0 HA LYS A 459 2.800 5.009 10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 459 2.768 7.734 8.761 1.00 0.00 H new ATOM 0 HB3 LYS A 459 2.705 7.426 10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 459 5.050 6.561 8.764 1.00 0.00 H new ATOM 0 HG3 LYS A 459 4.964 8.143 9.512 1.00 0.00 H new ATOM 0 HD2 LYS A 459 4.454 6.744 11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 459 5.209 5.439 10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 459 7.014 6.416 11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 459 7.149 7.098 10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 7.316 8.970 11.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 5.631 8.952 11.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 6.310 8.388 12.861 1.00 0.00 H new ATOM 210 N GLU A 460 0.571 5.830 7.891 1.00 0.00 N ATOM 211 CA GLU A 460 -0.860 5.899 7.620 1.00 0.00 C ATOM 212 C GLU A 460 -1.595 4.738 8.284 1.00 0.00 C ATOM 213 O GLU A 460 -2.588 4.936 8.985 1.00 0.00 O ATOM 214 CB GLU A 460 -1.117 5.885 6.112 1.00 0.00 C ATOM 215 CG GLU A 460 -0.557 7.097 5.387 1.00 0.00 C ATOM 216 CD GLU A 460 -0.839 8.395 6.118 1.00 0.00 C ATOM 217 OE1 GLU A 460 -2.019 8.652 6.436 1.00 0.00 O ATOM 218 OE2 GLU A 460 0.119 9.154 6.372 1.00 0.00 O ATOM 0 H GLU A 460 1.160 5.873 7.060 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.239 6.832 8.037 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.678 4.983 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -2.191 5.831 5.936 1.00 0.00 H new ATOM 0 HG2 GLU A 460 0.520 6.978 5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -0.986 7.147 4.386 1.00 0.00 H new ATOM 225 N CYS A 461 -1.101 3.525 8.057 1.00 0.00 N ATOM 226 CA CYS A 461 -1.709 2.331 8.630 1.00 0.00 C ATOM 227 C CYS A 461 -0.805 1.718 9.696 1.00 0.00 C ATOM 228 O CYS A 461 -1.273 1.020 10.595 1.00 0.00 O ATOM 229 CB CYS A 461 -1.995 1.302 7.535 1.00 0.00 C ATOM 230 SG CYS A 461 -0.505 0.491 6.871 1.00 0.00 S ATOM 0 H CYS A 461 -0.280 3.344 7.479 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.649 2.622 9.099 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.664 0.539 7.934 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.523 1.794 6.718 1.00 0.00 H new ATOM 235 N GLY A 462 0.493 1.986 9.589 1.00 0.00 N ATOM 236 CA GLY A 462 1.442 1.454 10.549 1.00 0.00 C ATOM 237 C GLY A 462 1.906 0.056 10.192 1.00 0.00 C ATOM 238 O GLY A 462 1.482 -0.923 10.807 1.00 0.00 O ATOM 0 H GLY A 462 0.904 2.562 8.854 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.306 2.116 10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 462 0.984 1.440 11.538 1.00 0.00 H new ATOM 242 N LYS A 463 2.778 -0.040 9.194 1.00 0.00 N ATOM 243 CA LYS A 463 3.300 -1.329 8.755 1.00 0.00 C ATOM 244 C LYS A 463 4.681 -1.170 8.127 1.00 0.00 C ATOM 245 O LYS A 463 4.922 -0.236 7.362 1.00 0.00 O ATOM 246 CB LYS A 463 2.343 -1.975 7.751 1.00 0.00 C ATOM 247 CG LYS A 463 1.051 -2.472 8.376 1.00 0.00 C ATOM 248 CD LYS A 463 0.194 -3.218 7.367 1.00 0.00 C ATOM 249 CE LYS A 463 0.607 -4.678 7.256 1.00 0.00 C ATOM 250 NZ LYS A 463 0.283 -5.441 8.494 1.00 0.00 N ATOM 0 H LYS A 463 3.138 0.760 8.674 1.00 0.00 H new ATOM 0 HA LYS A 463 3.389 -1.974 9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.105 -1.251 6.971 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.848 -2.811 7.267 1.00 0.00 H new ATOM 0 HG2 LYS A 463 1.281 -3.128 9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.491 -1.627 8.776 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -0.854 -3.157 7.662 1.00 0.00 H new ATOM 0 HD3 LYS A 463 0.279 -2.740 6.391 1.00 0.00 H new ATOM 0 HE2 LYS A 463 0.102 -5.135 6.405 1.00 0.00 H new ATOM 0 HE3 LYS A 463 1.678 -4.739 7.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 0.222 -6.455 8.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 1.029 -5.286 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -0.628 -5.115 8.874 1.00 0.00 H new ATOM 264 N SER A 464 5.584 -2.090 8.453 1.00 0.00 N ATOM 265 CA SER A 464 6.941 -2.050 7.922 1.00 0.00 C ATOM 266 C SER A 464 7.356 -3.419 7.390 1.00 0.00 C ATOM 267 O SER A 464 7.531 -4.368 8.154 1.00 0.00 O ATOM 268 CB SER A 464 7.921 -1.593 9.004 1.00 0.00 C ATOM 269 OG SER A 464 7.634 -2.211 10.247 1.00 0.00 O ATOM 0 H SER A 464 5.400 -2.872 9.082 1.00 0.00 H new ATOM 0 HA SER A 464 6.962 -1.337 7.098 1.00 0.00 H new ATOM 0 HB2 SER A 464 8.940 -1.834 8.701 1.00 0.00 H new ATOM 0 HB3 SER A 464 7.869 -0.510 9.112 1.00 0.00 H new ATOM 0 HG SER A 464 7.476 -3.168 10.108 1.00 0.00 H new ATOM 275 N PHE A 465 7.512 -3.512 6.073 1.00 0.00 N ATOM 276 CA PHE A 465 7.905 -4.763 5.437 1.00 0.00 C ATOM 277 C PHE A 465 9.421 -4.936 5.466 1.00 0.00 C ATOM 278 O PHE A 465 10.151 -4.032 5.871 1.00 0.00 O ATOM 279 CB PHE A 465 7.404 -4.805 3.992 1.00 0.00 C ATOM 280 CG PHE A 465 5.951 -4.452 3.851 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.967 -5.382 4.145 1.00 0.00 C ATOM 282 CD2 PHE A 465 5.568 -3.190 3.425 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.628 -5.061 4.017 1.00 0.00 C ATOM 284 CE2 PHE A 465 4.232 -2.863 3.295 1.00 0.00 C ATOM 285 CZ PHE A 465 3.261 -3.800 3.590 1.00 0.00 C ATOM 0 H PHE A 465 7.372 -2.736 5.426 1.00 0.00 H new ATOM 0 HA PHE A 465 7.453 -5.582 5.995 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.997 -4.116 3.390 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.568 -5.804 3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.249 -6.370 4.478 1.00 0.00 H new ATOM 0 HD2 PHE A 465 6.323 -2.454 3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.871 -5.795 4.250 1.00 0.00 H new ATOM 0 HE2 PHE A 465 3.947 -1.876 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 465 2.216 -3.547 3.487 1.00 0.00 H new ATOM 295 N SER A 466 9.886 -6.104 5.034 1.00 0.00 N ATOM 296 CA SER A 466 11.314 -6.397 5.015 1.00 0.00 C ATOM 297 C SER A 466 11.960 -5.872 3.736 1.00 0.00 C ATOM 298 O SER A 466 13.147 -5.547 3.715 1.00 0.00 O ATOM 299 CB SER A 466 11.548 -7.904 5.136 1.00 0.00 C ATOM 300 OG SER A 466 11.072 -8.588 3.990 1.00 0.00 O ATOM 0 H SER A 466 9.295 -6.862 4.693 1.00 0.00 H new ATOM 0 HA SER A 466 11.774 -5.895 5.866 1.00 0.00 H new ATOM 0 HB2 SER A 466 12.612 -8.101 5.265 1.00 0.00 H new ATOM 0 HB3 SER A 466 11.044 -8.283 6.025 1.00 0.00 H new ATOM 0 HG SER A 466 11.235 -9.549 4.091 1.00 0.00 H new ATOM 306 N ARG A 467 11.169 -5.794 2.671 1.00 0.00 N ATOM 307 CA ARG A 467 11.662 -5.310 1.387 1.00 0.00 C ATOM 308 C ARG A 467 11.425 -3.809 1.244 1.00 0.00 C ATOM 309 O ARG A 467 10.283 -3.349 1.234 1.00 0.00 O ATOM 310 CB ARG A 467 10.979 -6.056 0.240 1.00 0.00 C ATOM 311 CG ARG A 467 11.562 -7.435 -0.022 1.00 0.00 C ATOM 312 CD ARG A 467 10.595 -8.310 -0.804 1.00 0.00 C ATOM 313 NE ARG A 467 10.555 -7.953 -2.220 1.00 0.00 N ATOM 314 CZ ARG A 467 10.082 -8.755 -3.167 1.00 0.00 C ATOM 315 NH1 ARG A 467 9.611 -9.953 -2.851 1.00 0.00 N ATOM 316 NH2 ARG A 467 10.080 -8.358 -4.433 1.00 0.00 N ATOM 0 H ARG A 467 10.184 -6.060 2.672 1.00 0.00 H new ATOM 0 HA ARG A 467 12.735 -5.497 1.345 1.00 0.00 H new ATOM 0 HB2 ARG A 467 9.917 -6.156 0.464 1.00 0.00 H new ATOM 0 HB3 ARG A 467 11.058 -5.459 -0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 467 12.495 -7.337 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 467 11.803 -7.915 0.926 1.00 0.00 H new ATOM 0 HD2 ARG A 467 10.888 -9.355 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 467 9.596 -8.216 -0.378 1.00 0.00 H new ATOM 0 HE ARG A 467 10.910 -7.038 -2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 467 9.611 -10.261 -1.879 1.00 0.00 H new ATOM 0 HH12 ARG A 467 9.248 -10.567 -3.580 1.00 0.00 H new ATOM 0 HH21 ARG A 467 10.442 -7.437 -4.679 1.00 0.00 H new ATOM 0 HH22 ARG A 467 9.717 -8.974 -5.160 1.00 0.00 H new ATOM 330 N ALA A 468 12.511 -3.051 1.135 1.00 0.00 N ATOM 331 CA ALA A 468 12.421 -1.604 0.991 1.00 0.00 C ATOM 332 C ALA A 468 11.501 -1.223 -0.164 1.00 0.00 C ATOM 333 O ALA A 468 10.546 -0.463 -0.004 1.00 0.00 O ATOM 334 CB ALA A 468 13.806 -1.007 0.784 1.00 0.00 C ATOM 0 H ALA A 468 13.464 -3.416 1.144 1.00 0.00 H new ATOM 0 HA ALA A 468 11.996 -1.198 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.724 0.075 0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.435 -1.241 1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.252 -1.427 -0.117 1.00 0.00 H new ATOM 340 N PRO A 469 11.794 -1.761 -1.357 1.00 0.00 N ATOM 341 CA PRO A 469 11.005 -1.492 -2.563 1.00 0.00 C ATOM 342 C PRO A 469 9.507 -1.652 -2.323 1.00 0.00 C ATOM 343 O PRO A 469 8.719 -0.763 -2.646 1.00 0.00 O ATOM 344 CB PRO A 469 11.503 -2.544 -3.556 1.00 0.00 C ATOM 345 CG PRO A 469 12.884 -2.869 -3.102 1.00 0.00 C ATOM 346 CD PRO A 469 12.918 -2.676 -1.621 1.00 0.00 C ATOM 0 HA PRO A 469 11.129 -0.466 -2.911 1.00 0.00 H new ATOM 0 HB2 PRO A 469 10.866 -3.428 -3.549 1.00 0.00 H new ATOM 0 HB3 PRO A 469 11.502 -2.158 -4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 469 13.143 -3.895 -3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 469 13.612 -2.222 -3.591 1.00 0.00 H new ATOM 0 HD2 PRO A 469 12.796 -3.621 -1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 469 13.866 -2.248 -1.295 1.00 0.00 H new ATOM 354 N CYS A 470 9.122 -2.790 -1.755 1.00 0.00 N ATOM 355 CA CYS A 470 7.718 -3.066 -1.473 1.00 0.00 C ATOM 356 C CYS A 470 7.121 -1.986 -0.576 1.00 0.00 C ATOM 357 O CYS A 470 6.044 -1.459 -0.855 1.00 0.00 O ATOM 358 CB CYS A 470 7.571 -4.436 -0.809 1.00 0.00 C ATOM 359 SG CYS A 470 7.312 -5.796 -1.972 1.00 0.00 S ATOM 0 H CYS A 470 9.762 -3.536 -1.481 1.00 0.00 H new ATOM 0 HA CYS A 470 7.176 -3.068 -2.419 1.00 0.00 H new ATOM 0 HB2 CYS A 470 8.466 -4.641 -0.221 1.00 0.00 H new ATOM 0 HB3 CYS A 470 6.733 -4.403 -0.113 1.00 0.00 H new ATOM 0 HG CYS A 470 7.202 -6.913 -1.316 1.00 0.00 H new ATOM 365 N LEU A 471 7.827 -1.663 0.502 1.00 0.00 N ATOM 366 CA LEU A 471 7.366 -0.647 1.442 1.00 0.00 C ATOM 367 C LEU A 471 7.218 0.705 0.752 1.00 0.00 C ATOM 368 O LEU A 471 6.187 1.368 0.875 1.00 0.00 O ATOM 369 CB LEU A 471 8.340 -0.530 2.615 1.00 0.00 C ATOM 370 CG LEU A 471 7.916 0.405 3.749 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.503 0.080 4.208 1.00 0.00 C ATOM 372 CD2 LEU A 471 8.892 0.309 4.912 1.00 0.00 C ATOM 0 H LEU A 471 8.721 -2.090 0.747 1.00 0.00 H new ATOM 0 HA LEU A 471 6.389 -0.951 1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.498 -1.525 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.301 -0.189 2.230 1.00 0.00 H new ATOM 0 HG LEU A 471 7.928 1.429 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.218 0.755 5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 471 5.812 0.201 3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.464 -0.949 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.575 0.981 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 471 8.912 -0.715 5.286 1.00 0.00 H new ATOM 0 HD23 LEU A 471 9.889 0.592 4.575 1.00 0.00 H new ATOM 384 N LEU A 472 8.254 1.108 0.024 1.00 0.00 N ATOM 385 CA LEU A 472 8.240 2.381 -0.688 1.00 0.00 C ATOM 386 C LEU A 472 7.047 2.462 -1.635 1.00 0.00 C ATOM 387 O LEU A 472 6.410 3.508 -1.761 1.00 0.00 O ATOM 388 CB LEU A 472 9.541 2.564 -1.472 1.00 0.00 C ATOM 389 CG LEU A 472 10.750 3.039 -0.665 1.00 0.00 C ATOM 390 CD1 LEU A 472 12.033 2.452 -1.232 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.817 4.559 -0.650 1.00 0.00 C ATOM 0 H LEU A 472 9.114 0.571 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 472 8.151 3.180 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.794 1.614 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.361 3.280 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 472 10.638 2.691 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 472 12.883 2.801 -0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 472 11.985 1.364 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 472 12.152 2.770 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.683 4.879 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 472 10.906 4.929 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 472 9.910 4.959 -0.197 1.00 0.00 H new ATOM 403 N LYS A 473 6.748 1.350 -2.298 1.00 0.00 N ATOM 404 CA LYS A 473 5.629 1.293 -3.231 1.00 0.00 C ATOM 405 C LYS A 473 4.299 1.254 -2.484 1.00 0.00 C ATOM 406 O LYS A 473 3.269 1.678 -3.009 1.00 0.00 O ATOM 407 CB LYS A 473 5.754 0.064 -4.135 1.00 0.00 C ATOM 408 CG LYS A 473 6.911 0.146 -5.116 1.00 0.00 C ATOM 409 CD LYS A 473 7.246 -1.216 -5.698 1.00 0.00 C ATOM 410 CE LYS A 473 8.231 -1.103 -6.852 1.00 0.00 C ATOM 411 NZ LYS A 473 8.665 -2.439 -7.344 1.00 0.00 N ATOM 0 H LYS A 473 7.265 0.476 -2.206 1.00 0.00 H new ATOM 0 HA LYS A 473 5.655 2.193 -3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.878 -0.823 -3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.825 -0.064 -4.691 1.00 0.00 H new ATOM 0 HG2 LYS A 473 6.658 0.835 -5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 473 7.788 0.553 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 473 7.668 -1.852 -4.919 1.00 0.00 H new ATOM 0 HD3 LYS A 473 6.332 -1.699 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 473 7.771 -0.547 -7.669 1.00 0.00 H new ATOM 0 HE3 LYS A 473 9.103 -0.534 -6.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 9.335 -2.319 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 9.127 -2.960 -6.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 7.836 -2.973 -7.675 1.00 0.00 H new ATOM 425 N HIS A 474 4.329 0.744 -1.257 1.00 0.00 N ATOM 426 CA HIS A 474 3.126 0.652 -0.437 1.00 0.00 C ATOM 427 C HIS A 474 2.673 2.036 0.019 1.00 0.00 C ATOM 428 O HIS A 474 1.476 2.304 0.122 1.00 0.00 O ATOM 429 CB HIS A 474 3.378 -0.241 0.777 1.00 0.00 C ATOM 430 CG HIS A 474 2.265 -0.217 1.780 1.00 0.00 C ATOM 431 ND1 HIS A 474 1.080 -0.898 1.605 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.164 0.411 2.975 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.296 -0.690 2.648 1.00 0.00 C ATOM 434 NE2 HIS A 474 0.931 0.101 3.494 1.00 0.00 N ATOM 0 H HIS A 474 5.173 0.388 -0.809 1.00 0.00 H new ATOM 0 HA HIS A 474 2.335 0.212 -1.044 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.529 -1.266 0.439 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.301 0.073 1.264 1.00 0.00 H new ATOM 0 HD1 HIS A 474 0.845 -1.473 0.796 1.00 0.00 H new ATOM 0 HD2 HIS A 474 2.913 1.039 3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.695 -1.097 2.785 1.00 0.00 H new ATOM 442 N GLU A 475 3.637 2.909 0.292 1.00 0.00 N ATOM 443 CA GLU A 475 3.336 4.264 0.739 1.00 0.00 C ATOM 444 C GLU A 475 2.656 5.064 -0.369 1.00 0.00 C ATOM 445 O GLU A 475 1.869 5.972 -0.099 1.00 0.00 O ATOM 446 CB GLU A 475 4.616 4.975 1.184 1.00 0.00 C ATOM 447 CG GLU A 475 5.309 4.302 2.357 1.00 0.00 C ATOM 448 CD GLU A 475 6.276 5.227 3.071 1.00 0.00 C ATOM 449 OE1 GLU A 475 6.657 6.258 2.478 1.00 0.00 O ATOM 450 OE2 GLU A 475 6.653 4.919 4.221 1.00 0.00 O ATOM 0 H GLU A 475 4.633 2.703 0.212 1.00 0.00 H new ATOM 0 HA GLU A 475 2.654 4.196 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.307 5.022 0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.375 6.003 1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.558 3.950 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 475 5.848 3.424 2.001 1.00 0.00 H new ATOM 457 N ARG A 476 2.965 4.720 -1.614 1.00 0.00 N ATOM 458 CA ARG A 476 2.386 5.406 -2.763 1.00 0.00 C ATOM 459 C ARG A 476 0.870 5.239 -2.788 1.00 0.00 C ATOM 460 O ARG A 476 0.129 6.209 -2.953 1.00 0.00 O ATOM 461 CB ARG A 476 2.991 4.872 -4.062 1.00 0.00 C ATOM 462 CG ARG A 476 4.440 5.280 -4.272 1.00 0.00 C ATOM 463 CD ARG A 476 4.665 5.834 -5.670 1.00 0.00 C ATOM 464 NE ARG A 476 4.557 7.290 -5.706 1.00 0.00 N ATOM 465 CZ ARG A 476 4.776 8.017 -6.796 1.00 0.00 C ATOM 466 NH1 ARG A 476 5.114 7.427 -7.934 1.00 0.00 N ATOM 467 NH2 ARG A 476 4.657 9.338 -6.749 1.00 0.00 N ATOM 0 H ARG A 476 3.613 3.970 -1.854 1.00 0.00 H new ATOM 0 HA ARG A 476 2.616 6.468 -2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 476 2.925 3.784 -4.063 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.396 5.228 -4.903 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.719 6.031 -3.533 1.00 0.00 H new ATOM 0 HG3 ARG A 476 5.089 4.419 -4.112 1.00 0.00 H new ATOM 0 HD2 ARG A 476 5.652 5.535 -6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 476 3.936 5.399 -6.354 1.00 0.00 H new ATOM 0 HE ARG A 476 4.299 7.775 -4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 476 5.207 6.412 -7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 476 5.281 7.988 -8.769 1.00 0.00 H new ATOM 0 HH21 ARG A 476 4.397 9.796 -5.875 1.00 0.00 H new ATOM 0 HH22 ARG A 476 4.825 9.895 -7.587 1.00 0.00 H new ATOM 481 N LEU A 477 0.414 4.001 -2.625 1.00 0.00 N ATOM 482 CA LEU A 477 -1.015 3.705 -2.630 1.00 0.00 C ATOM 483 C LEU A 477 -1.761 4.606 -1.650 1.00 0.00 C ATOM 484 O LEU A 477 -2.763 5.228 -2.002 1.00 0.00 O ATOM 485 CB LEU A 477 -1.252 2.237 -2.273 1.00 0.00 C ATOM 486 CG LEU A 477 -0.452 1.213 -3.078 1.00 0.00 C ATOM 487 CD1 LEU A 477 -0.870 -0.202 -2.708 1.00 0.00 C ATOM 488 CD2 LEU A 477 -0.629 1.451 -4.570 1.00 0.00 C ATOM 0 H LEU A 477 1.013 3.187 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 477 -1.398 3.895 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -1.022 2.099 -1.217 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -2.313 2.020 -2.399 1.00 0.00 H new ATOM 0 HG LEU A 477 0.604 1.333 -2.835 1.00 0.00 H new ATOM 0 HD11 LEU A 477 -0.290 -0.917 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 477 -0.690 -0.369 -1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -1.931 -0.336 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -0.052 0.713 -5.127 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.683 1.360 -4.830 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.278 2.452 -4.823 1.00 0.00 H new ATOM 500 N HIS A 478 -1.263 4.673 -0.419 1.00 0.00 N ATOM 501 CA HIS A 478 -1.881 5.500 0.611 1.00 0.00 C ATOM 502 C HIS A 478 -2.072 6.930 0.117 1.00 0.00 C ATOM 503 O HIS A 478 -1.102 7.642 -0.145 1.00 0.00 O ATOM 504 CB HIS A 478 -1.026 5.495 1.879 1.00 0.00 C ATOM 505 CG HIS A 478 -1.236 4.287 2.738 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.320 4.139 3.578 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.493 3.164 2.884 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.234 2.979 4.204 1.00 0.00 C ATOM 509 NE2 HIS A 478 -1.135 2.368 3.800 1.00 0.00 N ATOM 0 H HIS A 478 -0.434 4.165 -0.111 1.00 0.00 H new ATOM 0 HA HIS A 478 -2.860 5.080 0.841 1.00 0.00 H new ATOM 0 HB2 HIS A 478 0.026 5.553 1.598 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -1.250 6.388 2.462 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.071 4.819 3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.432 2.937 2.375 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -2.942 2.595 4.924 1.00 0.00 H new ATOM 517 N SER A 479 -3.328 7.346 -0.008 1.00 0.00 N ATOM 518 CA SER A 479 -3.647 8.690 -0.475 1.00 0.00 C ATOM 519 C SER A 479 -3.664 9.679 0.687 1.00 0.00 C ATOM 520 O SER A 479 -4.380 9.487 1.669 1.00 0.00 O ATOM 521 CB SER A 479 -5.001 8.698 -1.187 1.00 0.00 C ATOM 522 OG SER A 479 -5.062 9.732 -2.154 1.00 0.00 O ATOM 0 H SER A 479 -4.142 6.771 0.208 1.00 0.00 H new ATOM 0 HA SER A 479 -2.873 8.997 -1.179 1.00 0.00 H new ATOM 0 HB2 SER A 479 -5.168 7.735 -1.669 1.00 0.00 H new ATOM 0 HB3 SER A 479 -5.799 8.831 -0.456 1.00 0.00 H new ATOM 0 HG SER A 479 -5.936 9.715 -2.596 1.00 0.00 H new ATOM 528 N GLY A 480 -2.869 10.738 0.567 1.00 0.00 N ATOM 529 CA GLY A 480 -2.807 11.741 1.613 1.00 0.00 C ATOM 530 C GLY A 480 -2.042 12.978 1.185 1.00 0.00 C ATOM 531 O GLY A 480 -1.355 13.601 1.995 1.00 0.00 O ATOM 0 H GLY A 480 -2.267 10.919 -0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -3.819 12.025 1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -2.333 11.312 2.496 1.00 0.00 H new ATOM 535 N GLU A 481 -2.159 13.333 -0.090 1.00 0.00 N ATOM 536 CA GLU A 481 -1.470 14.503 -0.624 1.00 0.00 C ATOM 537 C GLU A 481 -2.469 15.530 -1.148 1.00 0.00 C ATOM 538 O GLU A 481 -2.952 15.425 -2.276 1.00 0.00 O ATOM 539 CB GLU A 481 -0.511 14.091 -1.742 1.00 0.00 C ATOM 540 CG GLU A 481 0.858 13.660 -1.242 1.00 0.00 C ATOM 541 CD GLU A 481 1.821 14.823 -1.102 1.00 0.00 C ATOM 542 OE1 GLU A 481 1.888 15.652 -2.034 1.00 0.00 O ATOM 543 OE2 GLU A 481 2.507 14.904 -0.062 1.00 0.00 O ATOM 0 H GLU A 481 -2.724 12.828 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 481 -0.899 14.958 0.185 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -0.956 13.272 -2.308 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -0.390 14.926 -2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 481 0.749 13.165 -0.277 1.00 0.00 H new ATOM 0 HG3 GLU A 481 1.278 12.927 -1.930 1.00 0.00 H new ATOM 550 N LYS A 482 -2.774 16.525 -0.321 1.00 0.00 N ATOM 551 CA LYS A 482 -3.714 17.573 -0.700 1.00 0.00 C ATOM 552 C LYS A 482 -3.660 18.735 0.288 1.00 0.00 C ATOM 553 O LYS A 482 -4.583 18.958 1.072 1.00 0.00 O ATOM 554 CB LYS A 482 -5.137 17.012 -0.766 1.00 0.00 C ATOM 555 CG LYS A 482 -6.040 17.757 -1.733 1.00 0.00 C ATOM 556 CD LYS A 482 -6.516 19.076 -1.149 1.00 0.00 C ATOM 557 CE LYS A 482 -7.769 19.577 -1.851 1.00 0.00 C ATOM 558 NZ LYS A 482 -8.956 18.736 -1.534 1.00 0.00 N ATOM 0 H LYS A 482 -2.384 16.627 0.616 1.00 0.00 H new ATOM 0 HA LYS A 482 -3.430 17.942 -1.685 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -5.092 15.963 -1.059 1.00 0.00 H new ATOM 0 HB3 LYS A 482 -5.579 17.046 0.230 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -5.503 17.943 -2.663 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -6.901 17.136 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 482 -6.719 18.952 -0.085 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -5.725 19.821 -1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 482 -7.964 20.607 -1.554 1.00 0.00 H new ATOM 0 HE3 LYS A 482 -7.604 19.582 -2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 -9.824 19.266 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 -8.929 17.868 -2.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 -8.945 18.486 -0.525 1.00 0.00 H new ATOM 572 N PRO A 483 -2.555 19.494 0.250 1.00 0.00 N ATOM 573 CA PRO A 483 -2.355 20.646 1.133 1.00 0.00 C ATOM 574 C PRO A 483 -3.283 21.807 0.791 1.00 0.00 C ATOM 575 O PRO A 483 -3.068 22.517 -0.192 1.00 0.00 O ATOM 576 CB PRO A 483 -0.896 21.036 0.884 1.00 0.00 C ATOM 577 CG PRO A 483 -0.601 20.538 -0.489 1.00 0.00 C ATOM 578 CD PRO A 483 -1.415 19.286 -0.660 1.00 0.00 C ATOM 0 HA PRO A 483 -2.574 20.404 2.173 1.00 0.00 H new ATOM 0 HB2 PRO A 483 -0.757 22.115 0.952 1.00 0.00 H new ATOM 0 HB3 PRO A 483 -0.233 20.582 1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 483 -0.868 21.282 -1.240 1.00 0.00 H new ATOM 0 HG3 PRO A 483 0.462 20.331 -0.609 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -1.742 19.157 -1.692 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -0.845 18.396 -0.393 1.00 0.00 H new ATOM 586 N SER A 484 -4.315 21.995 1.608 1.00 0.00 N ATOM 587 CA SER A 484 -5.277 23.068 1.389 1.00 0.00 C ATOM 588 C SER A 484 -5.097 24.178 2.420 1.00 0.00 C ATOM 589 O SER A 484 -4.762 23.919 3.575 1.00 0.00 O ATOM 590 CB SER A 484 -6.705 22.523 1.454 1.00 0.00 C ATOM 591 OG SER A 484 -7.617 23.405 0.824 1.00 0.00 O ATOM 0 H SER A 484 -4.506 21.418 2.427 1.00 0.00 H new ATOM 0 HA SER A 484 -5.100 23.484 0.397 1.00 0.00 H new ATOM 0 HB2 SER A 484 -6.747 21.546 0.972 1.00 0.00 H new ATOM 0 HB3 SER A 484 -6.995 22.378 2.495 1.00 0.00 H new ATOM 0 HG SER A 484 -8.522 23.033 0.878 1.00 0.00 H new ATOM 597 N GLY A 485 -5.324 25.417 1.993 1.00 0.00 N ATOM 598 CA GLY A 485 -5.182 26.548 2.891 1.00 0.00 C ATOM 599 C GLY A 485 -5.284 27.877 2.170 1.00 0.00 C ATOM 600 O GLY A 485 -5.497 27.935 0.958 1.00 0.00 O ATOM 0 H GLY A 485 -5.603 25.657 1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -5.952 26.496 3.661 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -4.219 26.486 3.398 1.00 0.00 H new ATOM 604 N PRO A 486 -5.132 28.977 2.922 1.00 0.00 N ATOM 605 CA PRO A 486 -5.205 30.332 2.368 1.00 0.00 C ATOM 606 C PRO A 486 -4.013 30.659 1.476 1.00 0.00 C ATOM 607 O PRO A 486 -2.861 30.476 1.871 1.00 0.00 O ATOM 608 CB PRO A 486 -5.203 31.225 3.611 1.00 0.00 C ATOM 609 CG PRO A 486 -4.519 30.415 4.658 1.00 0.00 C ATOM 610 CD PRO A 486 -4.876 28.982 4.372 1.00 0.00 C ATOM 0 HA PRO A 486 -6.080 30.465 1.732 1.00 0.00 H new ATOM 0 HB2 PRO A 486 -4.675 32.160 3.426 1.00 0.00 H new ATOM 0 HB3 PRO A 486 -6.217 31.486 3.912 1.00 0.00 H new ATOM 0 HG2 PRO A 486 -3.440 30.563 4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 486 -4.848 30.708 5.655 1.00 0.00 H new ATOM 0 HD2 PRO A 486 -4.065 28.305 4.639 1.00 0.00 H new ATOM 0 HD3 PRO A 486 -5.754 28.666 4.936 1.00 0.00 H new ATOM 618 N SER A 487 -4.296 31.143 0.271 1.00 0.00 N ATOM 619 CA SER A 487 -3.246 31.493 -0.679 1.00 0.00 C ATOM 620 C SER A 487 -2.559 32.793 -0.275 1.00 0.00 C ATOM 621 O SER A 487 -2.867 33.374 0.766 1.00 0.00 O ATOM 622 CB SER A 487 -3.827 31.626 -2.088 1.00 0.00 C ATOM 623 OG SER A 487 -4.260 30.371 -2.582 1.00 0.00 O ATOM 0 H SER A 487 -5.244 31.302 -0.071 1.00 0.00 H new ATOM 0 HA SER A 487 -2.505 30.694 -0.674 1.00 0.00 H new ATOM 0 HB2 SER A 487 -4.664 32.324 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 487 -3.075 32.044 -2.757 1.00 0.00 H new ATOM 0 HG SER A 487 -4.629 30.484 -3.483 1.00 0.00 H new ATOM 629 N SER A 488 -1.624 33.244 -1.106 1.00 0.00 N ATOM 630 CA SER A 488 -0.889 34.474 -0.834 1.00 0.00 C ATOM 631 C SER A 488 -0.055 34.887 -2.043 1.00 0.00 C ATOM 632 O SER A 488 0.061 34.141 -3.015 1.00 0.00 O ATOM 633 CB SER A 488 0.015 34.294 0.387 1.00 0.00 C ATOM 634 OG SER A 488 0.261 35.535 1.026 1.00 0.00 O ATOM 0 H SER A 488 -1.358 32.776 -1.972 1.00 0.00 H new ATOM 0 HA SER A 488 -1.613 35.262 -0.627 1.00 0.00 H new ATOM 0 HB2 SER A 488 -0.452 33.605 1.091 1.00 0.00 H new ATOM 0 HB3 SER A 488 0.960 33.845 0.081 1.00 0.00 H new ATOM 0 HG SER A 488 0.840 35.393 1.804 1.00 0.00 H new ATOM 640 N GLY A 489 0.526 36.081 -1.974 1.00 0.00 N ATOM 641 CA GLY A 489 1.342 36.573 -3.069 1.00 0.00 C ATOM 642 C GLY A 489 1.052 38.023 -3.402 1.00 0.00 C ATOM 643 O GLY A 489 0.887 38.345 -4.578 1.00 0.00 O ATOM 0 H GLY A 489 0.446 36.716 -1.180 1.00 0.00 H new ATOM 0 HA2 GLY A 489 2.395 36.467 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 489 1.168 35.959 -3.952 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.247 1.495 4.915 1.00 0.00 ZN