USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=15 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 10:sc= 0.704! 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= -0.521 K(o=-0.52,f=-3.1!) 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 46:sc= 0.651 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+ 164:sc= -0.0162 (180deg=-0.201) USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 482 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0815) USER MOD Single : A 484 SER OG : rot 52:sc= 0.0525 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 23.223 9.056 22.580 1.00 0.00 N ATOM 2 CA GLY A 444 24.374 9.826 22.147 1.00 0.00 C ATOM 3 C GLY A 444 25.219 9.082 21.131 1.00 0.00 C ATOM 4 O GLY A 444 26.400 9.384 20.956 1.00 0.00 O ATOM 0 HA2 GLY A 444 24.036 10.768 21.714 1.00 0.00 H new ATOM 0 HA3 GLY A 444 24.987 10.075 23.013 1.00 0.00 H new ATOM 8 N SER A 445 24.615 8.107 20.461 1.00 0.00 N ATOM 9 CA SER A 445 25.321 7.314 19.462 1.00 0.00 C ATOM 10 C SER A 445 24.823 7.641 18.057 1.00 0.00 C ATOM 11 O SER A 445 24.436 6.751 17.301 1.00 0.00 O ATOM 12 CB SER A 445 25.142 5.821 19.744 1.00 0.00 C ATOM 13 OG SER A 445 25.882 5.425 20.886 1.00 0.00 O ATOM 0 H SER A 445 23.637 7.847 20.592 1.00 0.00 H new ATOM 0 HA SER A 445 26.381 7.563 19.520 1.00 0.00 H new ATOM 0 HB2 SER A 445 24.086 5.601 19.897 1.00 0.00 H new ATOM 0 HB3 SER A 445 25.466 5.243 18.879 1.00 0.00 H new ATOM 0 HG SER A 445 25.749 4.467 21.046 1.00 0.00 H new ATOM 19 N SER A 446 24.836 8.926 17.716 1.00 0.00 N ATOM 20 CA SER A 446 24.382 9.373 16.404 1.00 0.00 C ATOM 21 C SER A 446 25.445 9.109 15.343 1.00 0.00 C ATOM 22 O SER A 446 26.578 9.575 15.454 1.00 0.00 O ATOM 23 CB SER A 446 24.039 10.863 16.440 1.00 0.00 C ATOM 24 OG SER A 446 25.212 11.657 16.403 1.00 0.00 O ATOM 0 H SER A 446 25.156 9.675 18.330 1.00 0.00 H new ATOM 0 HA SER A 446 23.487 8.808 16.144 1.00 0.00 H new ATOM 0 HB2 SER A 446 23.400 11.113 15.593 1.00 0.00 H new ATOM 0 HB3 SER A 446 23.473 11.087 17.344 1.00 0.00 H new ATOM 0 HG SER A 446 25.986 11.089 16.206 1.00 0.00 H new ATOM 30 N GLY A 447 25.070 8.358 14.312 1.00 0.00 N ATOM 31 CA GLY A 447 26.002 8.044 13.244 1.00 0.00 C ATOM 32 C GLY A 447 25.360 7.238 12.133 1.00 0.00 C ATOM 33 O GLY A 447 25.227 6.018 12.238 1.00 0.00 O ATOM 0 H GLY A 447 24.137 7.961 14.197 1.00 0.00 H new ATOM 0 HA2 GLY A 447 26.403 8.970 12.832 1.00 0.00 H new ATOM 0 HA3 GLY A 447 26.844 7.486 13.653 1.00 0.00 H new ATOM 37 N SER A 448 24.959 7.920 11.065 1.00 0.00 N ATOM 38 CA SER A 448 24.322 7.259 9.931 1.00 0.00 C ATOM 39 C SER A 448 25.309 7.081 8.781 1.00 0.00 C ATOM 40 O SER A 448 25.771 8.056 8.188 1.00 0.00 O ATOM 41 CB SER A 448 23.112 8.066 9.458 1.00 0.00 C ATOM 42 OG SER A 448 22.489 7.447 8.345 1.00 0.00 O ATOM 0 H SER A 448 25.064 8.929 10.961 1.00 0.00 H new ATOM 0 HA SER A 448 23.989 6.274 10.257 1.00 0.00 H new ATOM 0 HB2 SER A 448 22.395 8.163 10.273 1.00 0.00 H new ATOM 0 HB3 SER A 448 23.426 9.074 9.188 1.00 0.00 H new ATOM 0 HG SER A 448 21.718 7.982 8.063 1.00 0.00 H new ATOM 48 N SER A 449 25.629 5.828 8.473 1.00 0.00 N ATOM 49 CA SER A 449 26.565 5.521 7.398 1.00 0.00 C ATOM 50 C SER A 449 25.856 5.514 6.047 1.00 0.00 C ATOM 51 O SER A 449 25.057 4.624 5.756 1.00 0.00 O ATOM 52 CB SER A 449 27.230 4.165 7.644 1.00 0.00 C ATOM 53 OG SER A 449 27.721 4.072 8.970 1.00 0.00 O ATOM 0 H SER A 449 25.254 5.010 8.953 1.00 0.00 H new ATOM 0 HA SER A 449 27.331 6.296 7.384 1.00 0.00 H new ATOM 0 HB2 SER A 449 26.512 3.366 7.462 1.00 0.00 H new ATOM 0 HB3 SER A 449 28.049 4.025 6.939 1.00 0.00 H new ATOM 0 HG SER A 449 28.140 3.196 9.103 1.00 0.00 H new ATOM 59 N GLY A 450 26.155 6.515 5.224 1.00 0.00 N ATOM 60 CA GLY A 450 25.538 6.607 3.913 1.00 0.00 C ATOM 61 C GLY A 450 25.401 8.039 3.436 1.00 0.00 C ATOM 62 O GLY A 450 26.043 8.944 3.970 1.00 0.00 O ATOM 0 H GLY A 450 26.813 7.263 5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 450 26.133 6.043 3.194 1.00 0.00 H new ATOM 0 HA3 GLY A 450 24.553 6.142 3.945 1.00 0.00 H new ATOM 66 N THR A 451 24.563 8.247 2.425 1.00 0.00 N ATOM 67 CA THR A 451 24.346 9.578 1.874 1.00 0.00 C ATOM 68 C THR A 451 22.891 10.006 2.027 1.00 0.00 C ATOM 69 O THR A 451 22.595 11.190 2.183 1.00 0.00 O ATOM 70 CB THR A 451 24.733 9.640 0.384 1.00 0.00 C ATOM 71 OG1 THR A 451 24.425 10.932 -0.149 1.00 0.00 O ATOM 72 CG2 THR A 451 24.000 8.569 -0.410 1.00 0.00 C ATOM 0 H THR A 451 24.023 7.510 1.971 1.00 0.00 H new ATOM 0 HA THR A 451 24.984 10.260 2.436 1.00 0.00 H new ATOM 0 HB THR A 451 25.805 9.461 0.302 1.00 0.00 H new ATOM 0 HG1 THR A 451 24.675 10.963 -1.096 1.00 0.00 H new ATOM 0 HG21 THR A 451 24.289 8.632 -1.459 1.00 0.00 H new ATOM 0 HG22 THR A 451 24.261 7.585 -0.020 1.00 0.00 H new ATOM 0 HG23 THR A 451 22.924 8.722 -0.320 1.00 0.00 H new ATOM 80 N GLY A 452 21.985 9.034 1.982 1.00 0.00 N ATOM 81 CA GLY A 452 20.571 9.331 2.118 1.00 0.00 C ATOM 82 C GLY A 452 20.020 8.922 3.470 1.00 0.00 C ATOM 83 O GLY A 452 19.744 7.746 3.704 1.00 0.00 O ATOM 0 H GLY A 452 22.205 8.046 1.854 1.00 0.00 H new ATOM 0 HA2 GLY A 452 20.412 10.399 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 452 20.018 8.816 1.333 1.00 0.00 H new ATOM 87 N GLU A 453 19.861 9.895 4.361 1.00 0.00 N ATOM 88 CA GLU A 453 19.342 9.629 5.697 1.00 0.00 C ATOM 89 C GLU A 453 17.819 9.538 5.681 1.00 0.00 C ATOM 90 O GLU A 453 17.125 10.486 6.050 1.00 0.00 O ATOM 91 CB GLU A 453 19.788 10.723 6.670 1.00 0.00 C ATOM 92 CG GLU A 453 19.336 10.487 8.101 1.00 0.00 C ATOM 93 CD GLU A 453 19.741 11.612 9.034 1.00 0.00 C ATOM 94 OE1 GLU A 453 20.538 12.475 8.610 1.00 0.00 O ATOM 95 OE2 GLU A 453 19.261 11.629 10.187 1.00 0.00 O ATOM 0 H GLU A 453 20.084 10.874 4.182 1.00 0.00 H new ATOM 0 HA GLU A 453 19.743 8.672 6.030 1.00 0.00 H new ATOM 0 HB2 GLU A 453 20.875 10.795 6.649 1.00 0.00 H new ATOM 0 HB3 GLU A 453 19.398 11.682 6.328 1.00 0.00 H new ATOM 0 HG2 GLU A 453 18.252 10.375 8.122 1.00 0.00 H new ATOM 0 HG3 GLU A 453 19.760 9.550 8.462 1.00 0.00 H new ATOM 102 N LYS A 454 17.305 8.391 5.250 1.00 0.00 N ATOM 103 CA LYS A 454 15.864 8.174 5.186 1.00 0.00 C ATOM 104 C LYS A 454 15.503 6.772 5.666 1.00 0.00 C ATOM 105 O LYS A 454 16.214 5.806 5.383 1.00 0.00 O ATOM 106 CB LYS A 454 15.360 8.381 3.756 1.00 0.00 C ATOM 107 CG LYS A 454 13.848 8.478 3.652 1.00 0.00 C ATOM 108 CD LYS A 454 13.368 9.909 3.827 1.00 0.00 C ATOM 109 CE LYS A 454 13.162 10.252 5.294 1.00 0.00 C ATOM 110 NZ LYS A 454 12.266 11.429 5.468 1.00 0.00 N ATOM 0 H LYS A 454 17.865 7.597 4.940 1.00 0.00 H new ATOM 0 HA LYS A 454 15.383 8.899 5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 454 15.803 9.291 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 454 15.706 7.555 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 454 13.524 8.101 2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 454 13.389 7.844 4.410 1.00 0.00 H new ATOM 0 HD2 LYS A 454 14.095 10.594 3.391 1.00 0.00 H new ATOM 0 HD3 LYS A 454 12.433 10.049 3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 454 12.737 9.392 5.812 1.00 0.00 H new ATOM 0 HE3 LYS A 454 14.127 10.458 5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 12.151 11.631 6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 12.684 12.256 4.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 11.337 11.223 5.048 1.00 0.00 H new ATOM 124 N LEU A 455 14.395 6.667 6.391 1.00 0.00 N ATOM 125 CA LEU A 455 13.939 5.382 6.908 1.00 0.00 C ATOM 126 C LEU A 455 12.551 5.041 6.375 1.00 0.00 C ATOM 127 O LEU A 455 11.562 5.681 6.735 1.00 0.00 O ATOM 128 CB LEU A 455 13.919 5.404 8.438 1.00 0.00 C ATOM 129 CG LEU A 455 15.217 5.837 9.120 1.00 0.00 C ATOM 130 CD1 LEU A 455 14.950 6.260 10.556 1.00 0.00 C ATOM 131 CD2 LEU A 455 16.243 4.714 9.075 1.00 0.00 C ATOM 0 H LEU A 455 13.796 7.456 6.634 1.00 0.00 H new ATOM 0 HA LEU A 455 14.636 4.615 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 455 13.121 6.073 8.761 1.00 0.00 H new ATOM 0 HB3 LEU A 455 13.661 4.406 8.792 1.00 0.00 H new ATOM 0 HG LEU A 455 15.621 6.693 8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 455 15.885 6.565 11.025 1.00 0.00 H new ATOM 0 HD12 LEU A 455 14.250 7.096 10.565 1.00 0.00 H new ATOM 0 HD13 LEU A 455 14.523 5.423 11.108 1.00 0.00 H new ATOM 0 HD21 LEU A 455 17.161 5.040 9.565 1.00 0.00 H new ATOM 0 HD22 LEU A 455 15.847 3.839 9.590 1.00 0.00 H new ATOM 0 HD23 LEU A 455 16.457 4.458 8.037 1.00 0.00 H new ATOM 143 N TYR A 456 12.484 4.029 5.517 1.00 0.00 N ATOM 144 CA TYR A 456 11.217 3.604 4.934 1.00 0.00 C ATOM 145 C TYR A 456 10.302 3.003 5.997 1.00 0.00 C ATOM 146 O TYR A 456 10.679 2.064 6.696 1.00 0.00 O ATOM 147 CB TYR A 456 11.461 2.585 3.820 1.00 0.00 C ATOM 148 CG TYR A 456 12.553 2.991 2.856 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.541 4.241 2.249 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.596 2.126 2.553 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.536 4.616 1.367 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.596 2.493 1.673 1.00 0.00 C ATOM 153 CZ TYR A 456 14.561 3.739 1.082 1.00 0.00 C ATOM 154 OH TYR A 456 15.555 4.109 0.206 1.00 0.00 O ATOM 0 H TYR A 456 13.292 3.488 5.210 1.00 0.00 H new ATOM 0 HA TYR A 456 10.727 4.482 4.513 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.721 1.626 4.267 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.535 2.437 3.265 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.740 4.931 2.471 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.626 1.149 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.511 5.591 0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 456 15.401 1.808 1.449 1.00 0.00 H new ATOM 0 HH TYR A 456 16.201 3.377 0.116 1.00 0.00 H new ATOM 164 N ASN A 457 9.098 3.553 6.112 1.00 0.00 N ATOM 165 CA ASN A 457 8.128 3.073 7.089 1.00 0.00 C ATOM 166 C ASN A 457 6.766 3.724 6.869 1.00 0.00 C ATOM 167 O ASN A 457 6.649 4.949 6.835 1.00 0.00 O ATOM 168 CB ASN A 457 8.619 3.359 8.509 1.00 0.00 C ATOM 169 CG ASN A 457 8.653 4.843 8.822 1.00 0.00 C ATOM 170 OD1 ASN A 457 8.993 5.661 7.967 1.00 0.00 O ATOM 171 ND2 ASN A 457 8.300 5.196 10.052 1.00 0.00 N ATOM 0 H ASN A 457 8.771 4.332 5.540 1.00 0.00 H new ATOM 0 HA ASN A 457 8.021 1.996 6.959 1.00 0.00 H new ATOM 0 HB2 ASN A 457 7.969 2.855 9.224 1.00 0.00 H new ATOM 0 HB3 ASN A 457 9.617 2.941 8.636 1.00 0.00 H new ATOM 0 HD21 ASN A 457 8.303 6.180 10.321 1.00 0.00 H new ATOM 0 HD22 ASN A 457 8.025 4.483 10.728 1.00 0.00 H new ATOM 178 N CYS A 458 5.737 2.896 6.720 1.00 0.00 N ATOM 179 CA CYS A 458 4.383 3.389 6.504 1.00 0.00 C ATOM 180 C CYS A 458 3.790 3.936 7.799 1.00 0.00 C ATOM 181 O CYS A 458 3.756 3.248 8.819 1.00 0.00 O ATOM 182 CB CYS A 458 3.493 2.273 5.954 1.00 0.00 C ATOM 183 SG CYS A 458 1.903 2.853 5.280 1.00 0.00 S ATOM 0 H CYS A 458 5.816 1.879 6.745 1.00 0.00 H new ATOM 0 HA CYS A 458 4.430 4.199 5.776 1.00 0.00 H new ATOM 0 HB2 CYS A 458 4.035 1.743 5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.297 1.554 6.749 1.00 0.00 H new ATOM 188 N LYS A 459 3.323 5.179 7.751 1.00 0.00 N ATOM 189 CA LYS A 459 2.729 5.820 8.918 1.00 0.00 C ATOM 190 C LYS A 459 1.206 5.802 8.833 1.00 0.00 C ATOM 191 O LYS A 459 0.519 5.823 9.854 1.00 0.00 O ATOM 192 CB LYS A 459 3.226 7.262 9.042 1.00 0.00 C ATOM 193 CG LYS A 459 4.710 7.369 9.351 1.00 0.00 C ATOM 194 CD LYS A 459 5.224 8.782 9.132 1.00 0.00 C ATOM 195 CE LYS A 459 5.051 9.638 10.377 1.00 0.00 C ATOM 196 NZ LYS A 459 6.204 9.500 11.310 1.00 0.00 N ATOM 0 H LYS A 459 3.345 5.763 6.915 1.00 0.00 H new ATOM 0 HA LYS A 459 3.033 5.260 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 459 3.018 7.791 8.112 1.00 0.00 H new ATOM 0 HB3 LYS A 459 2.662 7.766 9.828 1.00 0.00 H new ATOM 0 HG2 LYS A 459 4.890 7.071 10.384 1.00 0.00 H new ATOM 0 HG3 LYS A 459 5.265 6.677 8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 459 6.278 8.748 8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 459 4.691 9.239 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 459 4.942 10.683 10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 459 4.133 9.352 10.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 6.048 10.099 12.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 6.293 8.507 11.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 7.077 9.797 10.829 1.00 0.00 H new ATOM 210 N GLU A 460 0.686 5.761 7.610 1.00 0.00 N ATOM 211 CA GLU A 460 -0.755 5.740 7.394 1.00 0.00 C ATOM 212 C GLU A 460 -1.407 4.607 8.183 1.00 0.00 C ATOM 213 O GLU A 460 -2.166 4.847 9.122 1.00 0.00 O ATOM 214 CB GLU A 460 -1.068 5.584 5.904 1.00 0.00 C ATOM 215 CG GLU A 460 -0.404 6.634 5.030 1.00 0.00 C ATOM 216 CD GLU A 460 -0.540 8.035 5.595 1.00 0.00 C ATOM 217 OE1 GLU A 460 -1.556 8.698 5.301 1.00 0.00 O ATOM 218 OE2 GLU A 460 0.371 8.467 6.333 1.00 0.00 O ATOM 0 H GLU A 460 1.241 5.742 6.755 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.163 6.687 7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.748 4.595 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -2.147 5.634 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 460 0.653 6.393 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -0.845 6.604 4.034 1.00 0.00 H new ATOM 225 N CYS A 461 -1.105 3.373 7.794 1.00 0.00 N ATOM 226 CA CYS A 461 -1.661 2.203 8.462 1.00 0.00 C ATOM 227 C CYS A 461 -0.747 1.736 9.592 1.00 0.00 C ATOM 228 O CYS A 461 -1.200 1.125 10.558 1.00 0.00 O ATOM 229 CB CYS A 461 -1.869 1.067 7.458 1.00 0.00 C ATOM 230 SG CYS A 461 -0.323 0.380 6.782 1.00 0.00 S ATOM 0 H CYS A 461 -0.478 3.158 7.019 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.624 2.483 8.889 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.429 0.267 7.942 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.483 1.432 6.634 1.00 0.00 H new ATOM 235 N GLY A 462 0.543 2.030 9.462 1.00 0.00 N ATOM 236 CA GLY A 462 1.501 1.634 10.478 1.00 0.00 C ATOM 237 C GLY A 462 1.968 0.202 10.308 1.00 0.00 C ATOM 238 O GLY A 462 1.638 -0.667 11.116 1.00 0.00 O ATOM 0 H GLY A 462 0.942 2.536 8.671 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.362 2.301 10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 462 1.050 1.751 11.463 1.00 0.00 H new ATOM 242 N LYS A 463 2.736 -0.046 9.253 1.00 0.00 N ATOM 243 CA LYS A 463 3.250 -1.383 8.978 1.00 0.00 C ATOM 244 C LYS A 463 4.662 -1.316 8.406 1.00 0.00 C ATOM 245 O LYS A 463 4.943 -0.516 7.513 1.00 0.00 O ATOM 246 CB LYS A 463 2.326 -2.115 8.001 1.00 0.00 C ATOM 247 CG LYS A 463 1.023 -2.579 8.627 1.00 0.00 C ATOM 248 CD LYS A 463 0.143 -3.297 7.618 1.00 0.00 C ATOM 249 CE LYS A 463 0.503 -4.772 7.516 1.00 0.00 C ATOM 250 NZ LYS A 463 0.055 -5.364 6.225 1.00 0.00 N ATOM 0 H LYS A 463 3.017 0.661 8.574 1.00 0.00 H new ATOM 0 HA LYS A 463 3.284 -1.933 9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.102 -1.455 7.163 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.852 -2.979 7.595 1.00 0.00 H new ATOM 0 HG2 LYS A 463 1.237 -3.245 9.463 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.487 -1.721 9.032 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -0.903 -3.196 7.908 1.00 0.00 H new ATOM 0 HD3 LYS A 463 0.250 -2.827 6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 463 1.582 -4.890 7.615 1.00 0.00 H new ATOM 0 HE3 LYS A 463 0.046 -5.315 8.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 0.319 -6.370 6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -0.978 -5.274 6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 0.511 -4.862 5.436 1.00 0.00 H new ATOM 264 N SER A 464 5.546 -2.163 8.924 1.00 0.00 N ATOM 265 CA SER A 464 6.930 -2.198 8.466 1.00 0.00 C ATOM 266 C SER A 464 7.186 -3.431 7.605 1.00 0.00 C ATOM 267 O SER A 464 7.357 -4.537 8.119 1.00 0.00 O ATOM 268 CB SER A 464 7.885 -2.189 9.661 1.00 0.00 C ATOM 269 OG SER A 464 7.616 -3.269 10.537 1.00 0.00 O ATOM 0 H SER A 464 5.328 -2.834 9.661 1.00 0.00 H new ATOM 0 HA SER A 464 7.109 -1.310 7.860 1.00 0.00 H new ATOM 0 HB2 SER A 464 8.914 -2.251 9.308 1.00 0.00 H new ATOM 0 HB3 SER A 464 7.789 -1.247 10.200 1.00 0.00 H new ATOM 0 HG SER A 464 7.495 -4.090 10.016 1.00 0.00 H new ATOM 275 N PHE A 465 7.212 -3.232 6.291 1.00 0.00 N ATOM 276 CA PHE A 465 7.446 -4.327 5.357 1.00 0.00 C ATOM 277 C PHE A 465 8.885 -4.826 5.453 1.00 0.00 C ATOM 278 O PHE A 465 9.748 -4.158 6.024 1.00 0.00 O ATOM 279 CB PHE A 465 7.145 -3.878 3.926 1.00 0.00 C ATOM 280 CG PHE A 465 5.682 -3.904 3.585 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.816 -2.965 4.121 1.00 0.00 C ATOM 282 CD2 PHE A 465 5.174 -4.868 2.729 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.469 -2.986 3.809 1.00 0.00 C ATOM 284 CE2 PHE A 465 3.829 -4.893 2.413 1.00 0.00 C ATOM 285 CZ PHE A 465 2.975 -3.952 2.955 1.00 0.00 C ATOM 0 H PHE A 465 7.074 -2.323 5.849 1.00 0.00 H new ATOM 0 HA PHE A 465 6.777 -5.146 5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.525 -2.866 3.783 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.684 -4.522 3.231 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.197 -2.208 4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 465 5.836 -5.608 2.304 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.804 -2.248 4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 465 3.446 -5.648 1.743 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.923 -3.972 2.711 1.00 0.00 H new ATOM 295 N SER A 466 9.136 -6.004 4.892 1.00 0.00 N ATOM 296 CA SER A 466 10.469 -6.595 4.917 1.00 0.00 C ATOM 297 C SER A 466 11.315 -6.077 3.759 1.00 0.00 C ATOM 298 O SER A 466 12.531 -5.927 3.883 1.00 0.00 O ATOM 299 CB SER A 466 10.374 -8.121 4.852 1.00 0.00 C ATOM 300 OG SER A 466 10.079 -8.669 6.125 1.00 0.00 O ATOM 0 H SER A 466 8.434 -6.569 4.414 1.00 0.00 H new ATOM 0 HA SER A 466 10.950 -6.307 5.852 1.00 0.00 H new ATOM 0 HB2 SER A 466 9.601 -8.410 4.140 1.00 0.00 H new ATOM 0 HB3 SER A 466 11.315 -8.532 4.485 1.00 0.00 H new ATOM 0 HG SER A 466 10.022 -9.645 6.056 1.00 0.00 H new ATOM 306 N ARG A 467 10.663 -5.805 2.633 1.00 0.00 N ATOM 307 CA ARG A 467 11.355 -5.304 1.452 1.00 0.00 C ATOM 308 C ARG A 467 11.216 -3.789 1.341 1.00 0.00 C ATOM 309 O ARG A 467 10.106 -3.257 1.319 1.00 0.00 O ATOM 310 CB ARG A 467 10.803 -5.971 0.190 1.00 0.00 C ATOM 311 CG ARG A 467 11.173 -7.440 0.066 1.00 0.00 C ATOM 312 CD ARG A 467 12.642 -7.616 -0.284 1.00 0.00 C ATOM 313 NE ARG A 467 13.088 -8.994 -0.097 1.00 0.00 N ATOM 314 CZ ARG A 467 12.751 -9.992 -0.908 1.00 0.00 C ATOM 315 NH1 ARG A 467 11.971 -9.765 -1.955 1.00 0.00 N ATOM 316 NH2 ARG A 467 13.197 -11.219 -0.671 1.00 0.00 N ATOM 0 H ARG A 467 9.657 -5.923 2.514 1.00 0.00 H new ATOM 0 HA ARG A 467 12.413 -5.548 1.551 1.00 0.00 H new ATOM 0 HB2 ARG A 467 9.717 -5.877 0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 467 11.173 -5.437 -0.685 1.00 0.00 H new ATOM 0 HG2 ARG A 467 10.957 -7.951 1.004 1.00 0.00 H new ATOM 0 HG3 ARG A 467 10.556 -7.908 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 467 12.806 -7.319 -1.320 1.00 0.00 H new ATOM 0 HD3 ARG A 467 13.244 -6.953 0.337 1.00 0.00 H new ATOM 0 HE ARG A 467 13.691 -9.202 0.699 1.00 0.00 H new ATOM 0 HH11 ARG A 467 11.628 -8.823 -2.140 1.00 0.00 H new ATOM 0 HH12 ARG A 467 11.714 -10.533 -2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 467 13.798 -11.397 0.133 1.00 0.00 H new ATOM 0 HH22 ARG A 467 12.938 -11.985 -1.293 1.00 0.00 H new ATOM 330 N ALA A 468 12.350 -3.099 1.274 1.00 0.00 N ATOM 331 CA ALA A 468 12.355 -1.645 1.165 1.00 0.00 C ATOM 332 C ALA A 468 11.617 -1.187 -0.088 1.00 0.00 C ATOM 333 O ALA A 468 10.686 -0.383 -0.030 1.00 0.00 O ATOM 334 CB ALA A 468 13.783 -1.121 1.160 1.00 0.00 C ATOM 0 H ALA A 468 13.277 -3.524 1.293 1.00 0.00 H new ATOM 0 HA ALA A 468 11.834 -1.238 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.771 -0.034 1.078 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.280 -1.410 2.086 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.322 -1.543 0.312 1.00 0.00 H new ATOM 340 N PRO A 469 12.040 -1.707 -1.250 1.00 0.00 N ATOM 341 CA PRO A 469 11.433 -1.364 -2.539 1.00 0.00 C ATOM 342 C PRO A 469 9.910 -1.444 -2.502 1.00 0.00 C ATOM 343 O PRO A 469 9.220 -0.541 -2.978 1.00 0.00 O ATOM 344 CB PRO A 469 12.000 -2.421 -3.490 1.00 0.00 C ATOM 345 CG PRO A 469 13.292 -2.832 -2.873 1.00 0.00 C ATOM 346 CD PRO A 469 13.145 -2.670 -1.393 1.00 0.00 C ATOM 0 HA PRO A 469 11.657 -0.339 -2.835 1.00 0.00 H new ATOM 0 HB2 PRO A 469 11.322 -3.268 -3.590 1.00 0.00 H new ATOM 0 HB3 PRO A 469 12.151 -2.014 -4.490 1.00 0.00 H new ATOM 0 HG2 PRO A 469 13.528 -3.866 -3.126 1.00 0.00 H new ATOM 0 HG3 PRO A 469 14.110 -2.218 -3.248 1.00 0.00 H new ATOM 0 HD2 PRO A 469 12.914 -3.618 -0.908 1.00 0.00 H new ATOM 0 HD3 PRO A 469 14.062 -2.296 -0.939 1.00 0.00 H new ATOM 354 N CYS A 470 9.393 -2.527 -1.933 1.00 0.00 N ATOM 355 CA CYS A 470 7.951 -2.724 -1.835 1.00 0.00 C ATOM 356 C CYS A 470 7.336 -1.747 -0.838 1.00 0.00 C ATOM 357 O CYS A 470 6.214 -1.274 -1.027 1.00 0.00 O ATOM 358 CB CYS A 470 7.639 -4.162 -1.416 1.00 0.00 C ATOM 359 SG CYS A 470 7.597 -5.337 -2.790 1.00 0.00 S ATOM 0 H CYS A 470 9.950 -3.282 -1.533 1.00 0.00 H new ATOM 0 HA CYS A 470 7.516 -2.536 -2.817 1.00 0.00 H new ATOM 0 HB2 CYS A 470 8.387 -4.490 -0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 470 6.676 -4.180 -0.907 1.00 0.00 H new ATOM 0 HG CYS A 470 7.328 -6.525 -2.337 1.00 0.00 H new ATOM 365 N LEU A 471 8.076 -1.450 0.224 1.00 0.00 N ATOM 366 CA LEU A 471 7.603 -0.530 1.253 1.00 0.00 C ATOM 367 C LEU A 471 7.403 0.870 0.681 1.00 0.00 C ATOM 368 O LEU A 471 6.364 1.497 0.894 1.00 0.00 O ATOM 369 CB LEU A 471 8.595 -0.481 2.416 1.00 0.00 C ATOM 370 CG LEU A 471 8.165 0.344 3.631 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.787 -0.087 4.107 1.00 0.00 C ATOM 372 CD2 LEU A 471 9.184 0.212 4.753 1.00 0.00 C ATOM 0 H LEU A 471 9.006 -1.833 0.396 1.00 0.00 H new ATOM 0 HA LEU A 471 6.643 -0.894 1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.789 -1.502 2.745 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.539 -0.081 2.046 1.00 0.00 H new ATOM 0 HG LEU A 471 8.114 1.392 3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.497 0.510 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 471 6.063 0.060 3.306 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.811 -1.141 4.386 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.862 0.805 5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 471 9.267 -0.834 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 471 10.154 0.570 4.408 1.00 0.00 H new ATOM 384 N LEU A 472 8.403 1.355 -0.047 1.00 0.00 N ATOM 385 CA LEU A 472 8.336 2.680 -0.652 1.00 0.00 C ATOM 386 C LEU A 472 7.098 2.815 -1.533 1.00 0.00 C ATOM 387 O LEU A 472 6.443 3.858 -1.547 1.00 0.00 O ATOM 388 CB LEU A 472 9.595 2.949 -1.478 1.00 0.00 C ATOM 389 CG LEU A 472 10.838 3.367 -0.691 1.00 0.00 C ATOM 390 CD1 LEU A 472 12.098 2.861 -1.376 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.885 4.879 -0.532 1.00 0.00 C ATOM 0 H LEU A 472 9.270 0.850 -0.232 1.00 0.00 H new ATOM 0 HA LEU A 472 8.270 3.415 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.834 2.048 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.369 3.730 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 472 10.784 2.919 0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 472 12.972 3.168 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 472 12.067 1.773 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 472 12.159 3.279 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.776 5.158 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 472 10.915 5.348 -1.516 1.00 0.00 H new ATOM 0 HD23 LEU A 472 9.998 5.216 0.003 1.00 0.00 H new ATOM 403 N LYS A 473 6.781 1.753 -2.266 1.00 0.00 N ATOM 404 CA LYS A 473 5.619 1.750 -3.147 1.00 0.00 C ATOM 405 C LYS A 473 4.328 1.626 -2.345 1.00 0.00 C ATOM 406 O LYS A 473 3.292 2.168 -2.731 1.00 0.00 O ATOM 407 CB LYS A 473 5.720 0.601 -4.153 1.00 0.00 C ATOM 408 CG LYS A 473 6.820 0.788 -5.183 1.00 0.00 C ATOM 409 CD LYS A 473 6.486 0.089 -6.490 1.00 0.00 C ATOM 410 CE LYS A 473 7.711 -0.041 -7.382 1.00 0.00 C ATOM 411 NZ LYS A 473 8.686 -1.030 -6.846 1.00 0.00 N ATOM 0 H LYS A 473 7.313 0.883 -2.267 1.00 0.00 H new ATOM 0 HA LYS A 473 5.600 2.697 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.895 -0.329 -3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.765 0.496 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 473 6.970 1.852 -5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 473 7.758 0.397 -4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 473 6.080 -0.901 -6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 473 5.710 0.647 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 473 7.401 -0.343 -8.383 1.00 0.00 H new ATOM 0 HE3 LYS A 473 8.195 0.931 -7.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 9.361 -1.292 -7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 9.201 -0.611 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 8.178 -1.879 -6.525 1.00 0.00 H new ATOM 425 N HIS A 474 4.398 0.911 -1.227 1.00 0.00 N ATOM 426 CA HIS A 474 3.234 0.719 -0.369 1.00 0.00 C ATOM 427 C HIS A 474 2.754 2.049 0.203 1.00 0.00 C ATOM 428 O HIS A 474 1.554 2.270 0.362 1.00 0.00 O ATOM 429 CB HIS A 474 3.566 -0.248 0.768 1.00 0.00 C ATOM 430 CG HIS A 474 2.483 -0.359 1.796 1.00 0.00 C ATOM 431 ND1 HIS A 474 1.401 -1.204 1.661 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.319 0.273 2.982 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.618 -1.086 2.719 1.00 0.00 C ATOM 434 NE2 HIS A 474 1.153 -0.196 3.535 1.00 0.00 N ATOM 0 H HIS A 474 5.248 0.455 -0.894 1.00 0.00 H new ATOM 0 HA HIS A 474 2.434 0.295 -0.975 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.760 -1.235 0.349 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.485 0.078 1.255 1.00 0.00 H new ATOM 0 HD1 HIS A 474 1.232 -1.823 0.868 1.00 0.00 H new ATOM 0 HD2 HIS A 474 2.982 1.009 3.413 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.302 -1.625 2.888 1.00 0.00 H new ATOM 442 N GLU A 475 3.700 2.931 0.511 1.00 0.00 N ATOM 443 CA GLU A 475 3.372 4.239 1.067 1.00 0.00 C ATOM 444 C GLU A 475 2.579 5.072 0.065 1.00 0.00 C ATOM 445 O GLU A 475 1.770 5.918 0.448 1.00 0.00 O ATOM 446 CB GLU A 475 4.649 4.982 1.467 1.00 0.00 C ATOM 447 CG GLU A 475 5.311 4.424 2.716 1.00 0.00 C ATOM 448 CD GLU A 475 6.051 5.484 3.507 1.00 0.00 C ATOM 449 OE1 GLU A 475 5.396 6.204 4.290 1.00 0.00 O ATOM 450 OE2 GLU A 475 7.284 5.595 3.344 1.00 0.00 O ATOM 0 H GLU A 475 4.698 2.764 0.385 1.00 0.00 H new ATOM 0 HA GLU A 475 2.757 4.085 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.358 4.940 0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.412 6.033 1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.553 3.966 3.351 1.00 0.00 H new ATOM 0 HG3 GLU A 475 6.008 3.635 2.432 1.00 0.00 H new ATOM 457 N ARG A 476 2.817 4.828 -1.219 1.00 0.00 N ATOM 458 CA ARG A 476 2.126 5.556 -2.277 1.00 0.00 C ATOM 459 C ARG A 476 0.732 4.983 -2.511 1.00 0.00 C ATOM 460 O ARG A 476 -0.173 5.686 -2.964 1.00 0.00 O ATOM 461 CB ARG A 476 2.935 5.504 -3.574 1.00 0.00 C ATOM 462 CG ARG A 476 4.323 6.112 -3.451 1.00 0.00 C ATOM 463 CD ARG A 476 4.883 6.501 -4.810 1.00 0.00 C ATOM 464 NE ARG A 476 5.307 5.336 -5.581 1.00 0.00 N ATOM 465 CZ ARG A 476 6.072 5.410 -6.664 1.00 0.00 C ATOM 466 NH1 ARG A 476 6.495 6.588 -7.102 1.00 0.00 N ATOM 467 NH2 ARG A 476 6.417 4.304 -7.312 1.00 0.00 N ATOM 0 H ARG A 476 3.483 4.131 -1.552 1.00 0.00 H new ATOM 0 HA ARG A 476 2.025 6.594 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 476 3.029 4.466 -3.892 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.386 6.028 -4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.281 6.991 -2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 476 4.993 5.399 -2.971 1.00 0.00 H new ATOM 0 HD2 ARG A 476 4.126 7.050 -5.370 1.00 0.00 H new ATOM 0 HD3 ARG A 476 5.730 7.174 -4.674 1.00 0.00 H new ATOM 0 HE ARG A 476 4.999 4.415 -5.271 1.00 0.00 H new ATOM 0 HH11 ARG A 476 6.233 7.440 -6.607 1.00 0.00 H new ATOM 0 HH12 ARG A 476 7.082 6.642 -7.934 1.00 0.00 H new ATOM 0 HH21 ARG A 476 6.094 3.396 -6.978 1.00 0.00 H new ATOM 0 HH22 ARG A 476 7.005 4.362 -8.144 1.00 0.00 H new ATOM 481 N LEU A 477 0.565 3.702 -2.200 1.00 0.00 N ATOM 482 CA LEU A 477 -0.720 3.033 -2.377 1.00 0.00 C ATOM 483 C LEU A 477 -1.794 3.677 -1.506 1.00 0.00 C ATOM 484 O LEU A 477 -2.980 3.637 -1.834 1.00 0.00 O ATOM 485 CB LEU A 477 -0.594 1.547 -2.036 1.00 0.00 C ATOM 486 CG LEU A 477 0.032 0.662 -3.115 1.00 0.00 C ATOM 487 CD1 LEU A 477 0.515 -0.650 -2.515 1.00 0.00 C ATOM 488 CD2 LEU A 477 -0.964 0.403 -4.236 1.00 0.00 C ATOM 0 H LEU A 477 1.303 3.106 -1.824 1.00 0.00 H new ATOM 0 HA LEU A 477 -1.015 3.137 -3.421 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -0.000 1.452 -1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -1.588 1.161 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 477 0.892 1.185 -3.533 1.00 0.00 H new ATOM 0 HD11 LEU A 477 0.957 -1.267 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 477 1.262 -0.446 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -0.328 -1.178 -2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -0.502 -0.228 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.843 -0.099 -3.833 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -1.261 1.351 -4.685 1.00 0.00 H new ATOM 500 N HIS A 478 -1.370 4.272 -0.395 1.00 0.00 N ATOM 501 CA HIS A 478 -2.295 4.927 0.522 1.00 0.00 C ATOM 502 C HIS A 478 -2.747 6.274 -0.033 1.00 0.00 C ATOM 503 O HIS A 478 -2.297 7.326 0.421 1.00 0.00 O ATOM 504 CB HIS A 478 -1.640 5.120 1.890 1.00 0.00 C ATOM 505 CG HIS A 478 -1.635 3.881 2.732 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.751 3.420 3.398 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.642 3.005 3.012 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.444 2.315 4.054 1.00 0.00 C ATOM 509 NE2 HIS A 478 -1.170 2.041 3.836 1.00 0.00 N ATOM 0 H HIS A 478 -0.392 4.314 -0.109 1.00 0.00 H new ATOM 0 HA HIS A 478 -3.170 4.287 0.634 1.00 0.00 H new ATOM 0 HB2 HIS A 478 -0.613 5.457 1.748 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -2.164 5.912 2.426 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.670 3.863 3.386 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.376 3.055 2.654 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -3.120 1.734 4.665 1.00 0.00 H new ATOM 517 N SER A 479 -3.639 6.234 -1.018 1.00 0.00 N ATOM 518 CA SER A 479 -4.149 7.451 -1.638 1.00 0.00 C ATOM 519 C SER A 479 -5.584 7.726 -1.198 1.00 0.00 C ATOM 520 O SER A 479 -6.528 7.525 -1.961 1.00 0.00 O ATOM 521 CB SER A 479 -4.083 7.339 -3.162 1.00 0.00 C ATOM 522 OG SER A 479 -2.956 6.583 -3.569 1.00 0.00 O ATOM 0 H SER A 479 -4.023 5.371 -1.404 1.00 0.00 H new ATOM 0 HA SER A 479 -3.523 8.283 -1.315 1.00 0.00 H new ATOM 0 HB2 SER A 479 -4.993 6.870 -3.535 1.00 0.00 H new ATOM 0 HB3 SER A 479 -4.034 8.335 -3.601 1.00 0.00 H new ATOM 0 HG SER A 479 -2.937 6.525 -4.547 1.00 0.00 H new ATOM 528 N GLY A 480 -5.739 8.187 0.039 1.00 0.00 N ATOM 529 CA GLY A 480 -7.061 8.481 0.561 1.00 0.00 C ATOM 530 C GLY A 480 -7.956 7.258 0.598 1.00 0.00 C ATOM 531 O GLY A 480 -7.543 6.194 1.057 1.00 0.00 O ATOM 0 H GLY A 480 -4.973 8.362 0.689 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -6.968 8.890 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -7.528 9.250 -0.054 1.00 0.00 H new ATOM 535 N GLU A 481 -9.184 7.410 0.113 1.00 0.00 N ATOM 536 CA GLU A 481 -10.140 6.309 0.096 1.00 0.00 C ATOM 537 C GLU A 481 -10.945 6.308 -1.200 1.00 0.00 C ATOM 538 O GLU A 481 -11.335 7.362 -1.704 1.00 0.00 O ATOM 539 CB GLU A 481 -11.084 6.404 1.296 1.00 0.00 C ATOM 540 CG GLU A 481 -10.576 5.675 2.529 1.00 0.00 C ATOM 541 CD GLU A 481 -11.682 5.367 3.521 1.00 0.00 C ATOM 542 OE1 GLU A 481 -12.568 6.227 3.706 1.00 0.00 O ATOM 543 OE2 GLU A 481 -11.660 4.267 4.110 1.00 0.00 O ATOM 0 H GLU A 481 -9.540 8.284 -0.273 1.00 0.00 H new ATOM 0 HA GLU A 481 -9.581 5.375 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -11.239 7.454 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -12.055 5.995 1.017 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -10.096 4.745 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -9.814 6.282 3.017 1.00 0.00 H new ATOM 550 N LYS A 482 -11.191 5.117 -1.736 1.00 0.00 N ATOM 551 CA LYS A 482 -11.951 4.976 -2.973 1.00 0.00 C ATOM 552 C LYS A 482 -11.284 5.742 -4.111 1.00 0.00 C ATOM 553 O LYS A 482 -11.756 6.792 -4.546 1.00 0.00 O ATOM 554 CB LYS A 482 -13.383 5.480 -2.776 1.00 0.00 C ATOM 555 CG LYS A 482 -14.381 4.868 -3.744 1.00 0.00 C ATOM 556 CD LYS A 482 -14.426 5.634 -5.056 1.00 0.00 C ATOM 557 CE LYS A 482 -15.755 5.438 -5.769 1.00 0.00 C ATOM 558 NZ LYS A 482 -16.854 6.202 -5.115 1.00 0.00 N ATOM 0 H LYS A 482 -10.875 4.235 -1.333 1.00 0.00 H new ATOM 0 HA LYS A 482 -11.977 3.918 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -13.699 5.263 -1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 482 -13.397 6.564 -2.890 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -14.112 3.829 -3.937 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -15.372 4.862 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 482 -14.267 6.695 -4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -13.613 5.301 -5.701 1.00 0.00 H new ATOM 0 HE2 LYS A 482 -15.660 5.755 -6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 482 -16.007 4.378 -5.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 -17.683 6.224 -5.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 -17.111 5.742 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 -16.537 7.174 -4.927 1.00 0.00 H new ATOM 572 N PRO A 483 -10.160 5.204 -4.608 1.00 0.00 N ATOM 573 CA PRO A 483 -9.405 5.819 -5.704 1.00 0.00 C ATOM 574 C PRO A 483 -10.147 5.741 -7.034 1.00 0.00 C ATOM 575 O PRO A 483 -9.945 4.810 -7.814 1.00 0.00 O ATOM 576 CB PRO A 483 -8.120 4.990 -5.759 1.00 0.00 C ATOM 577 CG PRO A 483 -8.497 3.668 -5.184 1.00 0.00 C ATOM 578 CD PRO A 483 -9.539 3.954 -4.138 1.00 0.00 C ATOM 0 HA PRO A 483 -9.235 6.882 -5.535 1.00 0.00 H new ATOM 0 HB2 PRO A 483 -7.758 4.888 -6.782 1.00 0.00 H new ATOM 0 HB3 PRO A 483 -7.322 5.459 -5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 483 -8.889 3.005 -5.955 1.00 0.00 H new ATOM 0 HG3 PRO A 483 -7.631 3.171 -4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -10.267 3.146 -4.065 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -9.094 4.073 -3.150 1.00 0.00 H new ATOM 586 N SER A 484 -11.005 6.724 -7.286 1.00 0.00 N ATOM 587 CA SER A 484 -11.780 6.764 -8.521 1.00 0.00 C ATOM 588 C SER A 484 -11.018 7.506 -9.616 1.00 0.00 C ATOM 589 O SER A 484 -11.071 8.731 -9.703 1.00 0.00 O ATOM 590 CB SER A 484 -13.132 7.438 -8.278 1.00 0.00 C ATOM 591 OG SER A 484 -12.992 8.575 -7.444 1.00 0.00 O ATOM 0 H SER A 484 -11.181 7.503 -6.652 1.00 0.00 H new ATOM 0 HA SER A 484 -11.948 5.738 -8.850 1.00 0.00 H new ATOM 0 HB2 SER A 484 -13.571 7.734 -9.231 1.00 0.00 H new ATOM 0 HB3 SER A 484 -13.819 6.728 -7.818 1.00 0.00 H new ATOM 0 HG SER A 484 -12.301 9.166 -7.809 1.00 0.00 H new ATOM 597 N GLY A 485 -10.309 6.751 -10.450 1.00 0.00 N ATOM 598 CA GLY A 485 -9.547 7.352 -11.528 1.00 0.00 C ATOM 599 C GLY A 485 -10.415 8.158 -12.473 1.00 0.00 C ATOM 600 O GLY A 485 -11.627 8.273 -12.291 1.00 0.00 O ATOM 0 H GLY A 485 -10.249 5.734 -10.398 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -8.776 7.998 -11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -9.036 6.569 -12.088 1.00 0.00 H new ATOM 604 N PRO A 486 -9.791 8.735 -13.511 1.00 0.00 N ATOM 605 CA PRO A 486 -10.496 9.546 -14.508 1.00 0.00 C ATOM 606 C PRO A 486 -11.407 8.707 -15.397 1.00 0.00 C ATOM 607 O PRO A 486 -12.451 9.176 -15.850 1.00 0.00 O ATOM 608 CB PRO A 486 -9.361 10.160 -15.332 1.00 0.00 C ATOM 609 CG PRO A 486 -8.223 9.212 -15.175 1.00 0.00 C ATOM 610 CD PRO A 486 -8.348 8.641 -13.790 1.00 0.00 C ATOM 0 HA PRO A 486 -11.152 10.283 -14.045 1.00 0.00 H new ATOM 0 HB2 PRO A 486 -9.645 10.267 -16.379 1.00 0.00 H new ATOM 0 HB3 PRO A 486 -9.101 11.154 -14.969 1.00 0.00 H new ATOM 0 HG2 PRO A 486 -8.265 8.424 -15.927 1.00 0.00 H new ATOM 0 HG3 PRO A 486 -7.269 9.723 -15.302 1.00 0.00 H new ATOM 0 HD2 PRO A 486 -7.997 7.610 -13.747 1.00 0.00 H new ATOM 0 HD3 PRO A 486 -7.761 9.208 -13.067 1.00 0.00 H new ATOM 618 N SER A 487 -11.006 7.464 -15.643 1.00 0.00 N ATOM 619 CA SER A 487 -11.785 6.561 -16.481 1.00 0.00 C ATOM 620 C SER A 487 -12.094 7.203 -17.831 1.00 0.00 C ATOM 621 O SER A 487 -13.247 7.249 -18.259 1.00 0.00 O ATOM 622 CB SER A 487 -13.088 6.174 -15.778 1.00 0.00 C ATOM 623 OG SER A 487 -13.551 4.910 -16.221 1.00 0.00 O ATOM 0 H SER A 487 -10.146 7.059 -15.274 1.00 0.00 H new ATOM 0 HA SER A 487 -11.192 5.662 -16.652 1.00 0.00 H new ATOM 0 HB2 SER A 487 -12.930 6.149 -14.700 1.00 0.00 H new ATOM 0 HB3 SER A 487 -13.848 6.931 -15.971 1.00 0.00 H new ATOM 0 HG SER A 487 -14.384 4.685 -15.756 1.00 0.00 H new ATOM 629 N SER A 488 -11.055 7.697 -18.495 1.00 0.00 N ATOM 630 CA SER A 488 -11.214 8.340 -19.794 1.00 0.00 C ATOM 631 C SER A 488 -11.282 7.302 -20.910 1.00 0.00 C ATOM 632 O SER A 488 -11.026 6.119 -20.689 1.00 0.00 O ATOM 633 CB SER A 488 -10.057 9.308 -20.053 1.00 0.00 C ATOM 634 OG SER A 488 -9.887 10.201 -18.966 1.00 0.00 O ATOM 0 H SER A 488 -10.094 7.665 -18.155 1.00 0.00 H new ATOM 0 HA SER A 488 -12.150 8.898 -19.783 1.00 0.00 H new ATOM 0 HB2 SER A 488 -9.137 8.746 -20.213 1.00 0.00 H new ATOM 0 HB3 SER A 488 -10.248 9.873 -20.965 1.00 0.00 H new ATOM 0 HG SER A 488 -9.141 10.808 -19.155 1.00 0.00 H new ATOM 640 N GLY A 489 -11.631 7.754 -22.111 1.00 0.00 N ATOM 641 CA GLY A 489 -11.727 6.853 -23.244 1.00 0.00 C ATOM 642 C GLY A 489 -13.163 6.533 -23.609 1.00 0.00 C ATOM 643 O GLY A 489 -13.838 5.847 -22.842 1.00 0.00 O ATOM 0 H GLY A 489 -11.849 8.728 -22.319 1.00 0.00 H new ATOM 0 HA2 GLY A 489 -11.228 7.300 -24.104 1.00 0.00 H new ATOM 0 HA3 GLY A 489 -11.199 5.928 -23.014 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.417 1.080 4.806 1.00 0.00 ZN