USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=14 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= -0.193 X(o=-0.19,f=-0.022) 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 33:sc= 0.498 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 470 CYS SG : rot -107:sc= 0.122 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+ -147:sc= -0.158 (180deg=-0.919) 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 20.691 15.847 30.717 1.00 0.00 N ATOM 2 CA GLY A 444 20.635 14.601 29.975 1.00 0.00 C ATOM 3 C GLY A 444 20.190 14.800 28.540 1.00 0.00 C ATOM 4 O GLY A 444 19.361 14.046 28.030 1.00 0.00 O ATOM 0 HA2 GLY A 444 21.618 14.131 29.985 1.00 0.00 H new ATOM 0 HA3 GLY A 444 19.949 13.916 30.473 1.00 0.00 H new ATOM 8 N SER A 445 20.740 15.818 27.887 1.00 0.00 N ATOM 9 CA SER A 445 20.391 16.118 26.503 1.00 0.00 C ATOM 10 C SER A 445 20.949 15.056 25.560 1.00 0.00 C ATOM 11 O SER A 445 22.163 14.928 25.401 1.00 0.00 O ATOM 12 CB SER A 445 20.922 17.497 26.108 1.00 0.00 C ATOM 13 OG SER A 445 20.837 17.694 24.707 1.00 0.00 O ATOM 0 H SER A 445 21.430 16.450 28.294 1.00 0.00 H new ATOM 0 HA SER A 445 19.304 16.118 26.420 1.00 0.00 H new ATOM 0 HB2 SER A 445 20.352 18.271 26.622 1.00 0.00 H new ATOM 0 HB3 SER A 445 21.958 17.597 26.430 1.00 0.00 H new ATOM 0 HG SER A 445 21.181 18.583 24.480 1.00 0.00 H new ATOM 19 N SER A 446 20.053 14.297 24.937 1.00 0.00 N ATOM 20 CA SER A 446 20.454 13.243 24.013 1.00 0.00 C ATOM 21 C SER A 446 20.513 13.769 22.582 1.00 0.00 C ATOM 22 O SER A 446 19.818 14.722 22.230 1.00 0.00 O ATOM 23 CB SER A 446 19.482 12.065 24.096 1.00 0.00 C ATOM 24 OG SER A 446 18.231 12.394 23.517 1.00 0.00 O ATOM 0 H SER A 446 19.044 14.393 25.056 1.00 0.00 H new ATOM 0 HA SER A 446 21.450 12.903 24.298 1.00 0.00 H new ATOM 0 HB2 SER A 446 19.907 11.202 23.584 1.00 0.00 H new ATOM 0 HB3 SER A 446 19.340 11.779 25.138 1.00 0.00 H new ATOM 0 HG SER A 446 17.628 11.624 23.581 1.00 0.00 H new ATOM 30 N GLY A 447 21.348 13.141 21.760 1.00 0.00 N ATOM 31 CA GLY A 447 21.483 13.559 20.377 1.00 0.00 C ATOM 32 C GLY A 447 20.493 12.865 19.463 1.00 0.00 C ATOM 33 O GLY A 447 19.743 11.991 19.898 1.00 0.00 O ATOM 0 H GLY A 447 21.934 12.350 22.027 1.00 0.00 H new ATOM 0 HA2 GLY A 447 21.340 14.638 20.311 1.00 0.00 H new ATOM 0 HA3 GLY A 447 22.497 13.351 20.035 1.00 0.00 H new ATOM 37 N SER A 448 20.489 13.255 18.192 1.00 0.00 N ATOM 38 CA SER A 448 19.579 12.668 17.215 1.00 0.00 C ATOM 39 C SER A 448 20.346 11.842 16.187 1.00 0.00 C ATOM 40 O SER A 448 21.561 11.672 16.292 1.00 0.00 O ATOM 41 CB SER A 448 18.778 13.764 16.510 1.00 0.00 C ATOM 42 OG SER A 448 18.377 14.770 17.424 1.00 0.00 O ATOM 0 H SER A 448 21.106 13.975 17.815 1.00 0.00 H new ATOM 0 HA SER A 448 18.891 12.009 17.745 1.00 0.00 H new ATOM 0 HB2 SER A 448 19.381 14.207 15.718 1.00 0.00 H new ATOM 0 HB3 SER A 448 17.899 13.328 16.035 1.00 0.00 H new ATOM 0 HG SER A 448 17.868 15.460 16.949 1.00 0.00 H new ATOM 48 N SER A 449 19.627 11.331 15.192 1.00 0.00 N ATOM 49 CA SER A 449 20.238 10.520 14.146 1.00 0.00 C ATOM 50 C SER A 449 20.568 11.369 12.922 1.00 0.00 C ATOM 51 O SER A 449 19.710 12.074 12.392 1.00 0.00 O ATOM 52 CB SER A 449 19.304 9.375 13.749 1.00 0.00 C ATOM 53 OG SER A 449 18.927 8.608 14.880 1.00 0.00 O ATOM 0 H SER A 449 18.621 11.465 15.089 1.00 0.00 H new ATOM 0 HA SER A 449 21.166 10.104 14.539 1.00 0.00 H new ATOM 0 HB2 SER A 449 18.414 9.778 13.266 1.00 0.00 H new ATOM 0 HB3 SER A 449 19.799 8.734 13.020 1.00 0.00 H new ATOM 0 HG SER A 449 18.329 7.884 14.600 1.00 0.00 H new ATOM 59 N GLY A 450 21.820 11.296 12.479 1.00 0.00 N ATOM 60 CA GLY A 450 22.243 12.063 11.322 1.00 0.00 C ATOM 61 C GLY A 450 23.226 11.305 10.453 1.00 0.00 C ATOM 62 O GLY A 450 24.127 11.898 9.858 1.00 0.00 O ATOM 0 H GLY A 450 22.548 10.720 12.901 1.00 0.00 H new ATOM 0 HA2 GLY A 450 21.369 12.331 10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 450 22.700 12.995 11.655 1.00 0.00 H new ATOM 66 N THR A 451 23.056 9.989 10.378 1.00 0.00 N ATOM 67 CA THR A 451 23.938 9.148 9.578 1.00 0.00 C ATOM 68 C THR A 451 23.176 8.479 8.440 1.00 0.00 C ATOM 69 O THR A 451 22.844 7.297 8.513 1.00 0.00 O ATOM 70 CB THR A 451 24.611 8.062 10.438 1.00 0.00 C ATOM 71 OG1 THR A 451 25.077 8.629 11.667 1.00 0.00 O ATOM 72 CG2 THR A 451 25.776 7.427 9.693 1.00 0.00 C ATOM 0 H THR A 451 22.315 9.482 10.862 1.00 0.00 H new ATOM 0 HA THR A 451 24.706 9.800 9.163 1.00 0.00 H new ATOM 0 HB THR A 451 23.872 7.290 10.652 1.00 0.00 H new ATOM 0 HG1 THR A 451 25.502 7.932 12.209 1.00 0.00 H new ATOM 0 HG21 THR A 451 26.236 6.663 10.320 1.00 0.00 H new ATOM 0 HG22 THR A 451 25.413 6.971 8.772 1.00 0.00 H new ATOM 0 HG23 THR A 451 26.514 8.192 9.453 1.00 0.00 H new ATOM 80 N GLY A 452 22.901 9.244 7.387 1.00 0.00 N ATOM 81 CA GLY A 452 22.180 8.707 6.248 1.00 0.00 C ATOM 82 C GLY A 452 20.706 9.056 6.278 1.00 0.00 C ATOM 83 O GLY A 452 20.084 9.060 7.340 1.00 0.00 O ATOM 0 H GLY A 452 23.165 10.226 7.303 1.00 0.00 H new ATOM 0 HA2 GLY A 452 22.622 9.090 5.328 1.00 0.00 H new ATOM 0 HA3 GLY A 452 22.293 7.623 6.228 1.00 0.00 H new ATOM 87 N GLU A 453 20.145 9.353 5.109 1.00 0.00 N ATOM 88 CA GLU A 453 18.735 9.708 5.008 1.00 0.00 C ATOM 89 C GLU A 453 17.914 8.534 4.482 1.00 0.00 C ATOM 90 O GLU A 453 17.223 8.648 3.470 1.00 0.00 O ATOM 91 CB GLU A 453 18.556 10.920 4.091 1.00 0.00 C ATOM 92 CG GLU A 453 17.334 11.760 4.423 1.00 0.00 C ATOM 93 CD GLU A 453 17.429 13.171 3.876 1.00 0.00 C ATOM 94 OE1 GLU A 453 17.550 13.322 2.642 1.00 0.00 O ATOM 95 OE2 GLU A 453 17.383 14.123 4.682 1.00 0.00 O ATOM 0 H GLU A 453 20.646 9.355 4.220 1.00 0.00 H new ATOM 0 HA GLU A 453 18.378 9.960 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 453 19.445 11.547 4.154 1.00 0.00 H new ATOM 0 HB3 GLU A 453 18.481 10.576 3.059 1.00 0.00 H new ATOM 0 HG2 GLU A 453 16.445 11.277 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 453 17.210 11.802 5.505 1.00 0.00 H new ATOM 102 N LYS A 454 17.997 7.404 5.176 1.00 0.00 N ATOM 103 CA LYS A 454 17.263 6.207 4.782 1.00 0.00 C ATOM 104 C LYS A 454 16.270 5.797 5.865 1.00 0.00 C ATOM 105 O LYS A 454 16.653 5.230 6.890 1.00 0.00 O ATOM 106 CB LYS A 454 18.234 5.058 4.503 1.00 0.00 C ATOM 107 CG LYS A 454 17.552 3.793 4.008 1.00 0.00 C ATOM 108 CD LYS A 454 18.359 2.553 4.355 1.00 0.00 C ATOM 109 CE LYS A 454 18.200 2.177 5.821 1.00 0.00 C ATOM 110 NZ LYS A 454 19.268 1.242 6.272 1.00 0.00 N ATOM 0 H LYS A 454 18.566 7.292 6.015 1.00 0.00 H new ATOM 0 HA LYS A 454 16.708 6.434 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 454 18.964 5.382 3.761 1.00 0.00 H new ATOM 0 HB3 LYS A 454 18.786 4.830 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 454 16.559 3.717 4.450 1.00 0.00 H new ATOM 0 HG3 LYS A 454 17.417 3.850 2.928 1.00 0.00 H new ATOM 0 HD2 LYS A 454 18.038 1.721 3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 454 19.412 2.730 4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 454 18.225 3.079 6.432 1.00 0.00 H new ATOM 0 HE3 LYS A 454 17.225 1.715 5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 19.125 1.010 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 19.228 0.371 5.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 20.198 1.692 6.150 1.00 0.00 H new ATOM 124 N LEU A 455 14.995 6.084 5.631 1.00 0.00 N ATOM 125 CA LEU A 455 13.946 5.743 6.587 1.00 0.00 C ATOM 126 C LEU A 455 12.658 5.357 5.866 1.00 0.00 C ATOM 127 O LEU A 455 11.965 6.211 5.312 1.00 0.00 O ATOM 128 CB LEU A 455 13.684 6.920 7.528 1.00 0.00 C ATOM 129 CG LEU A 455 14.834 7.301 8.461 1.00 0.00 C ATOM 130 CD1 LEU A 455 14.483 8.547 9.260 1.00 0.00 C ATOM 131 CD2 LEU A 455 15.171 6.146 9.393 1.00 0.00 C ATOM 0 H LEU A 455 14.662 6.552 4.788 1.00 0.00 H new ATOM 0 HA LEU A 455 14.285 4.887 7.171 1.00 0.00 H new ATOM 0 HB2 LEU A 455 13.428 7.791 6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 455 12.811 6.685 8.137 1.00 0.00 H new ATOM 0 HG LEU A 455 15.712 7.519 7.853 1.00 0.00 H new ATOM 0 HD11 LEU A 455 15.313 8.803 9.918 1.00 0.00 H new ATOM 0 HD12 LEU A 455 14.293 9.375 8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 455 13.591 8.357 9.858 1.00 0.00 H new ATOM 0 HD21 LEU A 455 15.992 6.436 10.049 1.00 0.00 H new ATOM 0 HD22 LEU A 455 14.297 5.896 9.994 1.00 0.00 H new ATOM 0 HD23 LEU A 455 15.467 5.278 8.804 1.00 0.00 H new ATOM 143 N TYR A 456 12.342 4.067 5.880 1.00 0.00 N ATOM 144 CA TYR A 456 11.137 3.568 5.229 1.00 0.00 C ATOM 145 C TYR A 456 10.189 2.938 6.245 1.00 0.00 C ATOM 146 O TYR A 456 10.538 1.970 6.918 1.00 0.00 O ATOM 147 CB TYR A 456 11.502 2.545 4.152 1.00 0.00 C ATOM 148 CG TYR A 456 12.639 2.985 3.258 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.670 4.266 2.720 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.682 2.120 2.951 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.707 4.672 1.902 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.723 2.518 2.135 1.00 0.00 C ATOM 153 CZ TYR A 456 14.731 3.795 1.613 1.00 0.00 C ATOM 154 OH TYR A 456 15.766 4.196 0.800 1.00 0.00 O ATOM 0 H TYR A 456 12.904 3.348 6.335 1.00 0.00 H new ATOM 0 HA TYR A 456 10.630 4.413 4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.772 1.605 4.633 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.623 2.348 3.538 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.870 4.956 2.945 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.679 1.119 3.357 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.715 5.671 1.491 1.00 0.00 H new ATOM 0 HE2 TYR A 456 15.526 1.833 1.907 1.00 0.00 H new ATOM 0 HH TYR A 456 16.405 3.460 0.697 1.00 0.00 H new ATOM 164 N ASN A 457 8.988 3.496 6.348 1.00 0.00 N ATOM 165 CA ASN A 457 7.988 2.991 7.281 1.00 0.00 C ATOM 166 C ASN A 457 6.627 3.630 7.020 1.00 0.00 C ATOM 167 O ASN A 457 6.494 4.854 7.018 1.00 0.00 O ATOM 168 CB ASN A 457 8.422 3.261 8.723 1.00 0.00 C ATOM 169 CG ASN A 457 9.084 4.617 8.883 1.00 0.00 C ATOM 170 OD1 ASN A 457 10.310 4.720 8.923 1.00 0.00 O ATOM 171 ND2 ASN A 457 8.272 5.664 8.975 1.00 0.00 N ATOM 0 H ASN A 457 8.683 4.298 5.797 1.00 0.00 H new ATOM 0 HA ASN A 457 7.899 1.915 7.131 1.00 0.00 H new ATOM 0 HB2 ASN A 457 7.553 3.205 9.378 1.00 0.00 H new ATOM 0 HB3 ASN A 457 9.114 2.482 9.043 1.00 0.00 H new ATOM 0 HD21 ASN A 457 8.659 6.601 9.084 1.00 0.00 H new ATOM 0 HD22 ASN A 457 7.261 5.531 8.937 1.00 0.00 H new ATOM 178 N CYS A 458 5.619 2.793 6.800 1.00 0.00 N ATOM 179 CA CYS A 458 4.268 3.274 6.538 1.00 0.00 C ATOM 180 C CYS A 458 3.621 3.801 7.815 1.00 0.00 C ATOM 181 O CYS A 458 3.205 3.028 8.679 1.00 0.00 O ATOM 182 CB CYS A 458 3.411 2.154 5.944 1.00 0.00 C ATOM 183 SG CYS A 458 1.885 2.734 5.136 1.00 0.00 S ATOM 0 H CYS A 458 5.712 1.777 6.798 1.00 0.00 H new ATOM 0 HA CYS A 458 4.334 4.092 5.820 1.00 0.00 H new ATOM 0 HB2 CYS A 458 4.007 1.602 5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.146 1.454 6.737 1.00 0.00 H new ATOM 188 N LYS A 459 3.539 5.122 7.928 1.00 0.00 N ATOM 189 CA LYS A 459 2.941 5.755 9.098 1.00 0.00 C ATOM 190 C LYS A 459 1.426 5.846 8.953 1.00 0.00 C ATOM 191 O LYS A 459 0.700 5.886 9.946 1.00 0.00 O ATOM 192 CB LYS A 459 3.529 7.153 9.304 1.00 0.00 C ATOM 193 CG LYS A 459 5.033 7.155 9.516 1.00 0.00 C ATOM 194 CD LYS A 459 5.577 8.569 9.641 1.00 0.00 C ATOM 195 CE LYS A 459 5.888 9.170 8.279 1.00 0.00 C ATOM 196 NZ LYS A 459 5.791 10.655 8.292 1.00 0.00 N ATOM 0 H LYS A 459 3.879 5.776 7.223 1.00 0.00 H new ATOM 0 HA LYS A 459 3.169 5.140 9.968 1.00 0.00 H new ATOM 0 HB2 LYS A 459 3.292 7.769 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 459 3.048 7.617 10.165 1.00 0.00 H new ATOM 0 HG2 LYS A 459 5.275 6.590 10.416 1.00 0.00 H new ATOM 0 HG3 LYS A 459 5.520 6.649 8.682 1.00 0.00 H new ATOM 0 HD2 LYS A 459 4.850 9.195 10.158 1.00 0.00 H new ATOM 0 HD3 LYS A 459 6.481 8.560 10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 459 6.891 8.874 7.972 1.00 0.00 H new ATOM 0 HE3 LYS A 459 5.197 8.768 7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 6.010 11.026 7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 4.827 10.938 8.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 6.468 11.041 8.980 1.00 0.00 H new ATOM 210 N GLU A 460 0.955 5.876 7.710 1.00 0.00 N ATOM 211 CA GLU A 460 -0.475 5.961 7.438 1.00 0.00 C ATOM 212 C GLU A 460 -1.238 4.876 8.192 1.00 0.00 C ATOM 213 O GLU A 460 -1.967 5.161 9.143 1.00 0.00 O ATOM 214 CB GLU A 460 -0.738 5.835 5.936 1.00 0.00 C ATOM 215 CG GLU A 460 -0.399 7.091 5.150 1.00 0.00 C ATOM 216 CD GLU A 460 -1.383 8.218 5.399 1.00 0.00 C ATOM 217 OE1 GLU A 460 -2.327 8.015 6.191 1.00 0.00 O ATOM 218 OE2 GLU A 460 -1.208 9.301 4.803 1.00 0.00 O ATOM 0 H GLU A 460 1.542 5.843 6.877 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.828 6.934 7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.155 5.002 5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -1.789 5.591 5.779 1.00 0.00 H new ATOM 0 HG2 GLU A 460 0.604 7.423 5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -0.383 6.856 4.086 1.00 0.00 H new ATOM 225 N CYS A 461 -1.065 3.631 7.761 1.00 0.00 N ATOM 226 CA CYS A 461 -1.738 2.502 8.393 1.00 0.00 C ATOM 227 C CYS A 461 -0.917 1.966 9.562 1.00 0.00 C ATOM 228 O CYS A 461 -1.459 1.380 10.498 1.00 0.00 O ATOM 229 CB CYS A 461 -1.979 1.389 7.372 1.00 0.00 C ATOM 230 SG CYS A 461 -0.463 0.542 6.823 1.00 0.00 S ATOM 0 H CYS A 461 -0.464 3.378 6.976 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.698 2.850 8.775 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.657 0.653 7.806 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.482 1.811 6.502 1.00 0.00 H new ATOM 235 N GLY A 462 0.396 2.172 9.501 1.00 0.00 N ATOM 236 CA GLY A 462 1.270 1.703 10.560 1.00 0.00 C ATOM 237 C GLY A 462 1.738 0.278 10.338 1.00 0.00 C ATOM 238 O GLY A 462 1.412 -0.619 11.115 1.00 0.00 O ATOM 0 H GLY A 462 0.869 2.655 8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.137 2.360 10.629 1.00 0.00 H new ATOM 0 HA3 GLY A 462 0.746 1.766 11.514 1.00 0.00 H new ATOM 242 N LYS A 463 2.503 0.068 9.272 1.00 0.00 N ATOM 243 CA LYS A 463 3.017 -1.258 8.948 1.00 0.00 C ATOM 244 C LYS A 463 4.448 -1.174 8.428 1.00 0.00 C ATOM 245 O LYS A 463 4.824 -0.204 7.769 1.00 0.00 O ATOM 246 CB LYS A 463 2.123 -1.933 7.905 1.00 0.00 C ATOM 247 CG LYS A 463 0.800 -2.426 8.466 1.00 0.00 C ATOM 248 CD LYS A 463 -0.034 -3.116 7.401 1.00 0.00 C ATOM 249 CE LYS A 463 -0.977 -4.143 8.010 1.00 0.00 C ATOM 250 NZ LYS A 463 -1.715 -4.907 6.966 1.00 0.00 N ATOM 0 H LYS A 463 2.781 0.799 8.617 1.00 0.00 H new ATOM 0 HA LYS A 463 3.015 -1.854 9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.926 -1.228 7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.660 -2.776 7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 463 0.987 -3.117 9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.242 -1.585 8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -0.610 -2.373 6.850 1.00 0.00 H new ATOM 0 HD3 LYS A 463 0.624 -3.605 6.683 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -0.408 -4.834 8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -1.690 -3.639 8.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -2.347 -5.596 7.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -2.278 -4.251 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -1.036 -5.409 6.358 1.00 0.00 H new ATOM 264 N SER A 464 5.242 -2.197 8.727 1.00 0.00 N ATOM 265 CA SER A 464 6.634 -2.238 8.291 1.00 0.00 C ATOM 266 C SER A 464 6.907 -3.491 7.465 1.00 0.00 C ATOM 267 O SER A 464 6.926 -4.604 7.991 1.00 0.00 O ATOM 268 CB SER A 464 7.570 -2.196 9.501 1.00 0.00 C ATOM 269 OG SER A 464 7.299 -3.264 10.392 1.00 0.00 O ATOM 0 H SER A 464 4.946 -3.009 9.269 1.00 0.00 H new ATOM 0 HA SER A 464 6.820 -1.365 7.666 1.00 0.00 H new ATOM 0 HB2 SER A 464 8.606 -2.252 9.166 1.00 0.00 H new ATOM 0 HB3 SER A 464 7.454 -1.245 10.022 1.00 0.00 H new ATOM 0 HG SER A 464 7.004 -4.048 9.883 1.00 0.00 H new ATOM 275 N PHE A 465 7.120 -3.301 6.167 1.00 0.00 N ATOM 276 CA PHE A 465 7.392 -4.415 5.266 1.00 0.00 C ATOM 277 C PHE A 465 8.850 -4.852 5.366 1.00 0.00 C ATOM 278 O PHE A 465 9.650 -4.228 6.064 1.00 0.00 O ATOM 279 CB PHE A 465 7.063 -4.023 3.823 1.00 0.00 C ATOM 280 CG PHE A 465 5.590 -3.992 3.531 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.763 -3.084 4.171 1.00 0.00 C ATOM 282 CD2 PHE A 465 5.033 -4.872 2.617 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.407 -3.052 3.904 1.00 0.00 C ATOM 284 CE2 PHE A 465 3.679 -4.845 2.346 1.00 0.00 C ATOM 285 CZ PHE A 465 2.864 -3.935 2.991 1.00 0.00 C ATOM 0 H PHE A 465 7.110 -2.386 5.716 1.00 0.00 H new ATOM 0 HA PHE A 465 6.759 -5.252 5.562 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.487 -3.040 3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.545 -4.727 3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.182 -2.393 4.887 1.00 0.00 H new ATOM 0 HD2 PHE A 465 5.665 -5.587 2.111 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.773 -2.338 4.408 1.00 0.00 H new ATOM 0 HE2 PHE A 465 3.258 -5.535 1.630 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.805 -3.914 2.782 1.00 0.00 H new ATOM 295 N SER A 466 9.188 -5.930 4.666 1.00 0.00 N ATOM 296 CA SER A 466 10.549 -6.454 4.679 1.00 0.00 C ATOM 297 C SER A 466 11.396 -5.793 3.596 1.00 0.00 C ATOM 298 O SER A 466 12.442 -5.210 3.881 1.00 0.00 O ATOM 299 CB SER A 466 10.535 -7.971 4.477 1.00 0.00 C ATOM 300 OG SER A 466 9.588 -8.590 5.330 1.00 0.00 O ATOM 0 H SER A 466 8.538 -6.458 4.083 1.00 0.00 H new ATOM 0 HA SER A 466 10.991 -6.227 5.649 1.00 0.00 H new ATOM 0 HB2 SER A 466 10.298 -8.201 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 466 11.527 -8.377 4.675 1.00 0.00 H new ATOM 0 HG SER A 466 9.597 -9.559 5.181 1.00 0.00 H new ATOM 306 N ARG A 467 10.937 -5.890 2.353 1.00 0.00 N ATOM 307 CA ARG A 467 11.652 -5.303 1.226 1.00 0.00 C ATOM 308 C ARG A 467 11.425 -3.796 1.163 1.00 0.00 C ATOM 309 O ARG A 467 10.290 -3.326 1.236 1.00 0.00 O ATOM 310 CB ARG A 467 11.204 -5.953 -0.085 1.00 0.00 C ATOM 311 CG ARG A 467 11.135 -7.470 -0.020 1.00 0.00 C ATOM 312 CD ARG A 467 12.508 -8.080 0.213 1.00 0.00 C ATOM 313 NE ARG A 467 12.863 -8.104 1.630 1.00 0.00 N ATOM 314 CZ ARG A 467 14.073 -8.415 2.080 1.00 0.00 C ATOM 315 NH1 ARG A 467 15.041 -8.726 1.228 1.00 0.00 N ATOM 316 NH2 ARG A 467 14.319 -8.414 3.384 1.00 0.00 N ATOM 0 H ARG A 467 10.073 -6.370 2.101 1.00 0.00 H new ATOM 0 HA ARG A 467 12.717 -5.487 1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 467 10.223 -5.564 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 467 11.893 -5.663 -0.879 1.00 0.00 H new ATOM 0 HG2 ARG A 467 10.461 -7.771 0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 467 10.717 -7.857 -0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 467 12.525 -9.096 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 467 13.256 -7.511 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 467 12.141 -7.869 2.311 1.00 0.00 H new ATOM 0 HH11 ARG A 467 14.857 -8.727 0.225 1.00 0.00 H new ATOM 0 HH12 ARG A 467 15.970 -8.965 1.576 1.00 0.00 H new ATOM 0 HH21 ARG A 467 13.578 -8.174 4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 467 15.249 -8.653 3.728 1.00 0.00 H new ATOM 330 N ALA A 468 12.512 -3.044 1.027 1.00 0.00 N ATOM 331 CA ALA A 468 12.431 -1.590 0.952 1.00 0.00 C ATOM 332 C ALA A 468 11.642 -1.146 -0.275 1.00 0.00 C ATOM 333 O ALA A 468 10.668 -0.399 -0.179 1.00 0.00 O ATOM 334 CB ALA A 468 13.826 -0.984 0.932 1.00 0.00 C ATOM 0 H ALA A 468 13.459 -3.417 0.966 1.00 0.00 H new ATOM 0 HA ALA A 468 11.905 -1.234 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.750 0.102 0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.357 -1.264 1.842 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.371 -1.355 0.064 1.00 0.00 H new ATOM 340 N PRO A 469 12.070 -1.615 -1.456 1.00 0.00 N ATOM 341 CA PRO A 469 11.417 -1.279 -2.725 1.00 0.00 C ATOM 342 C PRO A 469 9.903 -1.448 -2.660 1.00 0.00 C ATOM 343 O PRO A 469 9.159 -0.726 -3.326 1.00 0.00 O ATOM 344 CB PRO A 469 12.025 -2.279 -3.712 1.00 0.00 C ATOM 345 CG PRO A 469 13.350 -2.629 -3.130 1.00 0.00 C ATOM 346 CD PRO A 469 13.224 -2.510 -1.644 1.00 0.00 C ATOM 0 HA PRO A 469 11.575 -0.237 -3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 469 11.395 -3.162 -3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 469 12.132 -1.841 -4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 469 13.639 -3.641 -3.412 1.00 0.00 H new ATOM 0 HG3 PRO A 469 14.124 -1.960 -3.506 1.00 0.00 H new ATOM 0 HD2 PRO A 469 13.056 -3.481 -1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 469 14.128 -2.095 -1.199 1.00 0.00 H new ATOM 354 N CYS A 470 9.453 -2.404 -1.855 1.00 0.00 N ATOM 355 CA CYS A 470 8.026 -2.667 -1.704 1.00 0.00 C ATOM 356 C CYS A 470 7.397 -1.700 -0.705 1.00 0.00 C ATOM 357 O CYS A 470 6.306 -1.177 -0.934 1.00 0.00 O ATOM 358 CB CYS A 470 7.798 -4.109 -1.249 1.00 0.00 C ATOM 359 SG CYS A 470 6.055 -4.570 -1.101 1.00 0.00 S ATOM 0 H CYS A 470 10.055 -3.010 -1.297 1.00 0.00 H new ATOM 0 HA CYS A 470 7.550 -2.520 -2.673 1.00 0.00 H new ATOM 0 HB2 CYS A 470 8.282 -4.783 -1.956 1.00 0.00 H new ATOM 0 HB3 CYS A 470 8.285 -4.256 -0.285 1.00 0.00 H new ATOM 0 HG CYS A 470 5.737 -4.667 0.156 1.00 0.00 H new ATOM 365 N LEU A 471 8.092 -1.469 0.403 1.00 0.00 N ATOM 366 CA LEU A 471 7.601 -0.566 1.439 1.00 0.00 C ATOM 367 C LEU A 471 7.404 0.842 0.885 1.00 0.00 C ATOM 368 O LEU A 471 6.336 1.437 1.039 1.00 0.00 O ATOM 369 CB LEU A 471 8.577 -0.530 2.616 1.00 0.00 C ATOM 370 CG LEU A 471 8.110 0.238 3.853 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.745 -0.257 4.304 1.00 0.00 C ATOM 372 CD2 LEU A 471 9.126 0.108 4.978 1.00 0.00 C ATOM 0 H LEU A 471 8.997 -1.894 0.608 1.00 0.00 H new ATOM 0 HA LEU A 471 6.637 -0.939 1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.796 -1.556 2.912 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.513 -0.090 2.272 1.00 0.00 H new ATOM 0 HG LEU A 471 8.023 1.292 3.591 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.429 0.301 5.185 1.00 0.00 H new ATOM 0 HD12 LEU A 471 6.021 -0.110 3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.805 -1.318 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.776 0.661 5.850 1.00 0.00 H new ATOM 0 HD22 LEU A 471 9.247 -0.943 5.240 1.00 0.00 H new ATOM 0 HD23 LEU A 471 10.084 0.513 4.652 1.00 0.00 H new ATOM 384 N LEU A 472 8.438 1.368 0.238 1.00 0.00 N ATOM 385 CA LEU A 472 8.377 2.705 -0.342 1.00 0.00 C ATOM 386 C LEU A 472 7.172 2.844 -1.266 1.00 0.00 C ATOM 387 O LEU A 472 6.563 3.910 -1.355 1.00 0.00 O ATOM 388 CB LEU A 472 9.664 3.007 -1.113 1.00 0.00 C ATOM 389 CG LEU A 472 10.866 3.434 -0.271 1.00 0.00 C ATOM 390 CD1 LEU A 472 12.164 3.008 -0.938 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.850 4.939 -0.043 1.00 0.00 C ATOM 0 H LEU A 472 9.328 0.889 0.102 1.00 0.00 H new ATOM 0 HA LEU A 472 8.271 3.423 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.941 2.119 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.454 3.795 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 472 10.800 2.939 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 472 13.008 3.321 -0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 472 12.178 1.924 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 472 12.238 3.474 -1.921 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.713 5.225 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 472 10.890 5.453 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 472 9.935 5.218 0.480 1.00 0.00 H new ATOM 403 N LYS A 473 6.832 1.759 -1.953 1.00 0.00 N ATOM 404 CA LYS A 473 5.698 1.757 -2.869 1.00 0.00 C ATOM 405 C LYS A 473 4.382 1.645 -2.105 1.00 0.00 C ATOM 406 O LYS A 473 3.400 2.307 -2.441 1.00 0.00 O ATOM 407 CB LYS A 473 5.822 0.601 -3.865 1.00 0.00 C ATOM 408 CG LYS A 473 6.789 0.880 -5.002 1.00 0.00 C ATOM 409 CD LYS A 473 6.508 -0.008 -6.203 1.00 0.00 C ATOM 410 CE LYS A 473 5.291 0.472 -6.978 1.00 0.00 C ATOM 411 NZ LYS A 473 5.306 -0.009 -8.388 1.00 0.00 N ATOM 0 H LYS A 473 7.326 0.869 -1.893 1.00 0.00 H new ATOM 0 HA LYS A 473 5.702 2.700 -3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 473 6.148 -0.293 -3.333 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.838 0.383 -4.281 1.00 0.00 H new ATOM 0 HG2 LYS A 473 6.714 1.927 -5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 473 7.811 0.718 -4.660 1.00 0.00 H new ATOM 0 HD2 LYS A 473 7.378 -0.019 -6.860 1.00 0.00 H new ATOM 0 HD3 LYS A 473 6.347 -1.033 -5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 473 4.385 0.121 -6.484 1.00 0.00 H new ATOM 0 HE3 LYS A 473 5.259 1.561 -6.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 4.460 0.339 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 6.158 0.346 -8.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 5.310 -1.049 -8.400 1.00 0.00 H new ATOM 425 N HIS A 474 4.370 0.803 -1.076 1.00 0.00 N ATOM 426 CA HIS A 474 3.175 0.606 -0.263 1.00 0.00 C ATOM 427 C HIS A 474 2.708 1.926 0.344 1.00 0.00 C ATOM 428 O HIS A 474 1.512 2.140 0.540 1.00 0.00 O ATOM 429 CB HIS A 474 3.448 -0.411 0.845 1.00 0.00 C ATOM 430 CG HIS A 474 2.329 -0.535 1.833 1.00 0.00 C ATOM 431 ND1 HIS A 474 1.179 -1.252 1.580 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.190 -0.030 3.081 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.379 -1.181 2.630 1.00 0.00 C ATOM 434 NE2 HIS A 474 0.970 -0.446 3.555 1.00 0.00 N ATOM 0 H HIS A 474 5.174 0.247 -0.786 1.00 0.00 H new ATOM 0 HA HIS A 474 2.385 0.224 -0.909 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.634 -1.386 0.394 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.358 -0.125 1.373 1.00 0.00 H new ATOM 0 HD1 HIS A 474 0.977 -1.758 0.718 1.00 0.00 H new ATOM 0 HD2 HIS A 474 2.905 0.585 3.606 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.592 -1.645 2.717 1.00 0.00 H new ATOM 442 N GLU A 475 3.660 2.805 0.640 1.00 0.00 N ATOM 443 CA GLU A 475 3.345 4.102 1.227 1.00 0.00 C ATOM 444 C GLU A 475 2.574 4.974 0.239 1.00 0.00 C ATOM 445 O GLU A 475 1.787 5.833 0.635 1.00 0.00 O ATOM 446 CB GLU A 475 4.627 4.816 1.661 1.00 0.00 C ATOM 447 CG GLU A 475 5.372 4.103 2.777 1.00 0.00 C ATOM 448 CD GLU A 475 6.704 4.753 3.097 1.00 0.00 C ATOM 449 OE1 GLU A 475 6.768 5.999 3.115 1.00 0.00 O ATOM 450 OE2 GLU A 475 7.684 4.013 3.329 1.00 0.00 O ATOM 0 H GLU A 475 4.655 2.643 0.483 1.00 0.00 H new ATOM 0 HA GLU A 475 2.718 3.933 2.102 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.288 4.915 0.800 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.378 5.825 1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.752 4.093 3.674 1.00 0.00 H new ATOM 0 HG3 GLU A 475 5.538 3.064 2.492 1.00 0.00 H new ATOM 457 N ARG A 476 2.809 4.746 -1.049 1.00 0.00 N ATOM 458 CA ARG A 476 2.139 5.511 -2.095 1.00 0.00 C ATOM 459 C ARG A 476 0.766 4.923 -2.403 1.00 0.00 C ATOM 460 O ARG A 476 -0.176 5.650 -2.720 1.00 0.00 O ATOM 461 CB ARG A 476 2.992 5.536 -3.364 1.00 0.00 C ATOM 462 CG ARG A 476 4.412 6.029 -3.135 1.00 0.00 C ATOM 463 CD ARG A 476 5.001 6.638 -4.397 1.00 0.00 C ATOM 464 NE ARG A 476 6.240 7.363 -4.129 1.00 0.00 N ATOM 465 CZ ARG A 476 7.406 6.768 -3.905 1.00 0.00 C ATOM 466 NH1 ARG A 476 7.492 5.445 -3.917 1.00 0.00 N ATOM 467 NH2 ARG A 476 8.489 7.497 -3.668 1.00 0.00 N ATOM 0 H ARG A 476 3.458 4.038 -1.394 1.00 0.00 H new ATOM 0 HA ARG A 476 2.006 6.531 -1.736 1.00 0.00 H new ATOM 0 HB2 ARG A 476 3.029 4.532 -3.786 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.509 6.175 -4.103 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.416 6.770 -2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 476 5.037 5.200 -2.804 1.00 0.00 H new ATOM 0 HD2 ARG A 476 5.193 5.849 -5.124 1.00 0.00 H new ATOM 0 HD3 ARG A 476 4.274 7.316 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 476 6.208 8.382 -4.113 1.00 0.00 H new ATOM 0 HH11 ARG A 476 6.661 4.882 -4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 476 8.389 4.991 -3.745 1.00 0.00 H new ATOM 0 HH21 ARG A 476 8.426 8.515 -3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 476 9.384 7.039 -3.496 1.00 0.00 H new ATOM 481 N LEU A 477 0.659 3.602 -2.309 1.00 0.00 N ATOM 482 CA LEU A 477 -0.599 2.915 -2.579 1.00 0.00 C ATOM 483 C LEU A 477 -1.737 3.523 -1.765 1.00 0.00 C ATOM 484 O LEU A 477 -2.891 3.524 -2.196 1.00 0.00 O ATOM 485 CB LEU A 477 -0.468 1.425 -2.260 1.00 0.00 C ATOM 486 CG LEU A 477 0.225 0.569 -3.321 1.00 0.00 C ATOM 487 CD1 LEU A 477 0.352 -0.870 -2.847 1.00 0.00 C ATOM 488 CD2 LEU A 477 -0.533 0.634 -4.638 1.00 0.00 C ATOM 0 H LEU A 477 1.428 2.985 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 477 -0.830 3.035 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 477 0.080 1.321 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -1.466 1.021 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 477 1.227 0.966 -3.482 1.00 0.00 H new ATOM 0 HD11 LEU A 477 0.847 -1.464 -3.615 1.00 0.00 H new ATOM 0 HD12 LEU A 477 0.940 -0.900 -1.930 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -0.640 -1.279 -2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -0.025 0.019 -5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.548 0.263 -4.492 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.570 1.666 -4.986 1.00 0.00 H new ATOM 500 N HIS A 478 -1.404 4.042 -0.588 1.00 0.00 N ATOM 501 CA HIS A 478 -2.398 4.656 0.285 1.00 0.00 C ATOM 502 C HIS A 478 -2.923 5.955 -0.318 1.00 0.00 C ATOM 503 O HIS A 478 -2.533 6.341 -1.420 1.00 0.00 O ATOM 504 CB HIS A 478 -1.797 4.928 1.665 1.00 0.00 C ATOM 505 CG HIS A 478 -1.688 3.704 2.522 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.755 3.175 3.217 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.631 2.904 2.793 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.358 2.103 3.880 1.00 0.00 C ATOM 509 NE2 HIS A 478 -1.073 1.917 3.639 1.00 0.00 N ATOM 0 H HIS A 478 -0.454 4.050 -0.217 1.00 0.00 H new ATOM 0 HA HIS A 478 -3.232 3.961 0.390 1.00 0.00 H new ATOM 0 HB2 HIS A 478 -0.806 5.364 1.541 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -2.409 5.669 2.179 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.703 3.552 3.219 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.374 3.020 2.414 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -2.979 1.484 4.511 1.00 0.00 H new ATOM 517 N SER A 479 -3.810 6.625 0.411 1.00 0.00 N ATOM 518 CA SER A 479 -4.392 7.878 -0.055 1.00 0.00 C ATOM 519 C SER A 479 -3.450 9.048 0.215 1.00 0.00 C ATOM 520 O SER A 479 -2.934 9.671 -0.712 1.00 0.00 O ATOM 521 CB SER A 479 -5.738 8.125 0.628 1.00 0.00 C ATOM 522 OG SER A 479 -6.281 9.377 0.248 1.00 0.00 O ATOM 0 H SER A 479 -4.141 6.321 1.327 1.00 0.00 H new ATOM 0 HA SER A 479 -4.548 7.800 -1.131 1.00 0.00 H new ATOM 0 HB2 SER A 479 -6.434 7.328 0.365 1.00 0.00 H new ATOM 0 HB3 SER A 479 -5.611 8.094 1.710 1.00 0.00 H new ATOM 0 HG SER A 479 -7.142 9.510 0.697 1.00 0.00 H new ATOM 528 N GLY A 480 -3.231 9.341 1.493 1.00 0.00 N ATOM 529 CA GLY A 480 -2.352 10.434 1.864 1.00 0.00 C ATOM 530 C GLY A 480 -2.950 11.791 1.550 1.00 0.00 C ATOM 531 O GLY A 480 -3.354 12.051 0.417 1.00 0.00 O ATOM 0 H GLY A 480 -3.647 8.841 2.278 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -2.134 10.375 2.930 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -1.403 10.328 1.338 1.00 0.00 H new ATOM 535 N GLU A 481 -3.009 12.658 2.557 1.00 0.00 N ATOM 536 CA GLU A 481 -3.566 13.994 2.382 1.00 0.00 C ATOM 537 C GLU A 481 -2.456 15.035 2.270 1.00 0.00 C ATOM 538 O GLU A 481 -2.540 15.965 1.467 1.00 0.00 O ATOM 539 CB GLU A 481 -4.491 14.342 3.550 1.00 0.00 C ATOM 540 CG GLU A 481 -5.732 13.469 3.624 1.00 0.00 C ATOM 541 CD GLU A 481 -6.569 13.750 4.857 1.00 0.00 C ATOM 542 OE1 GLU A 481 -5.982 13.923 5.946 1.00 0.00 O ATOM 543 OE2 GLU A 481 -7.811 13.795 4.734 1.00 0.00 O ATOM 0 H GLU A 481 -2.678 12.459 3.501 1.00 0.00 H new ATOM 0 HA GLU A 481 -4.143 14.002 1.457 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -3.935 14.249 4.483 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -4.795 15.385 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -6.339 13.630 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -5.435 12.420 3.622 1.00 0.00 H new ATOM 550 N LYS A 482 -1.416 14.872 3.080 1.00 0.00 N ATOM 551 CA LYS A 482 -0.288 15.796 3.074 1.00 0.00 C ATOM 552 C LYS A 482 1.003 15.076 2.697 1.00 0.00 C ATOM 553 O LYS A 482 1.887 14.861 3.527 1.00 0.00 O ATOM 554 CB LYS A 482 -0.134 16.456 4.446 1.00 0.00 C ATOM 555 CG LYS A 482 -1.165 17.537 4.720 1.00 0.00 C ATOM 556 CD LYS A 482 -1.383 17.736 6.210 1.00 0.00 C ATOM 557 CE LYS A 482 -0.139 18.290 6.887 1.00 0.00 C ATOM 558 NZ LYS A 482 0.777 17.206 7.337 1.00 0.00 N ATOM 0 H LYS A 482 -1.331 14.108 3.750 1.00 0.00 H new ATOM 0 HA LYS A 482 -0.486 16.566 2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -0.208 15.691 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 482 0.863 16.889 4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -0.838 18.475 4.271 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -2.109 17.269 4.246 1.00 0.00 H new ATOM 0 HD2 LYS A 482 -2.219 18.418 6.369 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -1.655 16.786 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 482 0.388 18.947 6.196 1.00 0.00 H new ATOM 0 HE3 LYS A 482 -0.432 18.897 7.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 1.262 17.501 8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 0.228 16.342 7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 1.481 17.017 6.596 1.00 0.00 H new ATOM 572 N PRO A 483 1.117 14.694 1.416 1.00 0.00 N ATOM 573 CA PRO A 483 2.297 13.995 0.901 1.00 0.00 C ATOM 574 C PRO A 483 3.526 14.895 0.844 1.00 0.00 C ATOM 575 O PRO A 483 4.659 14.415 0.817 1.00 0.00 O ATOM 576 CB PRO A 483 1.874 13.577 -0.510 1.00 0.00 C ATOM 577 CG PRO A 483 0.824 14.561 -0.897 1.00 0.00 C ATOM 578 CD PRO A 483 0.102 14.917 0.373 1.00 0.00 C ATOM 0 HA PRO A 483 2.586 13.160 1.539 1.00 0.00 H new ATOM 0 HB2 PRO A 483 2.717 13.605 -1.201 1.00 0.00 H new ATOM 0 HB3 PRO A 483 1.486 12.559 -0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 483 1.268 15.445 -1.355 1.00 0.00 H new ATOM 0 HG3 PRO A 483 0.139 14.133 -1.629 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -0.243 15.951 0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -0.776 14.289 0.526 1.00 0.00 H new ATOM 586 N SER A 484 3.295 16.204 0.826 1.00 0.00 N ATOM 587 CA SER A 484 4.384 17.172 0.769 1.00 0.00 C ATOM 588 C SER A 484 5.254 16.939 -0.462 1.00 0.00 C ATOM 589 O SER A 484 6.477 16.851 -0.364 1.00 0.00 O ATOM 590 CB SER A 484 5.238 17.086 2.035 1.00 0.00 C ATOM 591 OG SER A 484 4.452 16.723 3.157 1.00 0.00 O ATOM 0 H SER A 484 2.363 16.618 0.850 1.00 0.00 H new ATOM 0 HA SER A 484 3.948 18.169 0.701 1.00 0.00 H new ATOM 0 HB2 SER A 484 6.033 16.354 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 484 5.719 18.047 2.219 1.00 0.00 H new ATOM 0 HG SER A 484 5.021 16.673 3.953 1.00 0.00 H new ATOM 597 N GLY A 485 4.612 16.840 -1.622 1.00 0.00 N ATOM 598 CA GLY A 485 5.342 16.618 -2.857 1.00 0.00 C ATOM 599 C GLY A 485 5.518 17.890 -3.663 1.00 0.00 C ATOM 600 O GLY A 485 4.878 18.908 -3.404 1.00 0.00 O ATOM 0 H GLY A 485 3.600 16.909 -1.729 1.00 0.00 H new ATOM 0 HA2 GLY A 485 6.322 16.199 -2.626 1.00 0.00 H new ATOM 0 HA3 GLY A 485 4.814 15.880 -3.460 1.00 0.00 H new ATOM 604 N PRO A 486 6.407 17.840 -4.666 1.00 0.00 N ATOM 605 CA PRO A 486 6.688 18.989 -5.533 1.00 0.00 C ATOM 606 C PRO A 486 5.519 19.320 -6.454 1.00 0.00 C ATOM 607 O PRO A 486 4.662 18.474 -6.713 1.00 0.00 O ATOM 608 CB PRO A 486 7.899 18.531 -6.349 1.00 0.00 C ATOM 609 CG PRO A 486 7.810 17.044 -6.355 1.00 0.00 C ATOM 610 CD PRO A 486 7.206 16.659 -5.033 1.00 0.00 C ATOM 0 HA PRO A 486 6.864 19.899 -4.959 1.00 0.00 H new ATOM 0 HB2 PRO A 486 7.870 18.934 -7.361 1.00 0.00 H new ATOM 0 HB3 PRO A 486 8.832 18.870 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 486 7.193 16.694 -7.183 1.00 0.00 H new ATOM 0 HG3 PRO A 486 8.795 16.595 -6.479 1.00 0.00 H new ATOM 0 HD2 PRO A 486 6.587 15.766 -5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 486 7.972 16.445 -4.288 1.00 0.00 H new ATOM 618 N SER A 487 5.490 20.554 -6.947 1.00 0.00 N ATOM 619 CA SER A 487 4.424 20.996 -7.838 1.00 0.00 C ATOM 620 C SER A 487 4.876 20.946 -9.294 1.00 0.00 C ATOM 621 O SER A 487 4.131 20.511 -10.172 1.00 0.00 O ATOM 622 CB SER A 487 3.986 22.417 -7.477 1.00 0.00 C ATOM 623 OG SER A 487 3.186 22.423 -6.307 1.00 0.00 O ATOM 0 H SER A 487 6.192 21.265 -6.744 1.00 0.00 H new ATOM 0 HA SER A 487 3.578 20.320 -7.715 1.00 0.00 H new ATOM 0 HB2 SER A 487 4.865 23.044 -7.324 1.00 0.00 H new ATOM 0 HB3 SER A 487 3.426 22.850 -8.306 1.00 0.00 H new ATOM 0 HG SER A 487 2.921 23.343 -6.097 1.00 0.00 H new ATOM 629 N SER A 488 6.103 21.394 -9.542 1.00 0.00 N ATOM 630 CA SER A 488 6.654 21.405 -10.892 1.00 0.00 C ATOM 631 C SER A 488 7.393 20.103 -11.187 1.00 0.00 C ATOM 632 O SER A 488 8.493 19.873 -10.687 1.00 0.00 O ATOM 633 CB SER A 488 7.602 22.593 -11.069 1.00 0.00 C ATOM 634 OG SER A 488 7.724 22.948 -12.436 1.00 0.00 O ATOM 0 H SER A 488 6.734 21.754 -8.826 1.00 0.00 H new ATOM 0 HA SER A 488 5.827 21.501 -11.595 1.00 0.00 H new ATOM 0 HB2 SER A 488 7.232 23.446 -10.500 1.00 0.00 H new ATOM 0 HB3 SER A 488 8.583 22.343 -10.666 1.00 0.00 H new ATOM 0 HG SER A 488 8.333 23.710 -12.523 1.00 0.00 H new ATOM 640 N GLY A 489 6.778 19.252 -12.003 1.00 0.00 N ATOM 641 CA GLY A 489 7.390 17.984 -12.351 1.00 0.00 C ATOM 642 C GLY A 489 7.999 17.995 -13.739 1.00 0.00 C ATOM 643 O GLY A 489 7.422 18.600 -14.642 1.00 0.00 O ATOM 0 H GLY A 489 5.866 19.419 -12.429 1.00 0.00 H new ATOM 0 HA2 GLY A 489 8.163 17.745 -11.621 1.00 0.00 H new ATOM 0 HA3 GLY A 489 6.641 17.194 -12.293 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.354 0.978 4.809 1.00 0.00 ZN