USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 317 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 474 HIS HE2 : A 474 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 478 HIS HE2 : A 478 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD Single : A 446 SER OG : rot -31:sc= 0.33 USER MOD Single : A 448 SER OG : rot 7:sc= 1.13 USER MOD Single : A 449 SER OG : rot 14:sc= 0.598 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= -0.019 K(o=-0.019,f=-1.5!) USER MOD Single : A 459 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 463 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 464 SER OG : rot 180:sc= 0 USER MOD Single : A 466 SER OG : rot 180:sc= 0.0336 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+ 180:sc= 0 (180deg=0) 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 35.151 16.569 25.702 1.00 0.00 N ATOM 2 CA GLY A 444 33.817 16.485 26.268 1.00 0.00 C ATOM 3 C GLY A 444 33.202 15.109 26.101 1.00 0.00 C ATOM 4 O GLY A 444 33.891 14.154 25.742 1.00 0.00 O ATOM 0 HA2 GLY A 444 33.859 16.735 27.328 1.00 0.00 H new ATOM 0 HA3 GLY A 444 33.176 17.226 25.791 1.00 0.00 H new ATOM 8 N SER A 445 31.904 15.007 26.364 1.00 0.00 N ATOM 9 CA SER A 445 31.198 13.737 26.247 1.00 0.00 C ATOM 10 C SER A 445 30.533 13.609 24.880 1.00 0.00 C ATOM 11 O SER A 445 30.023 14.585 24.331 1.00 0.00 O ATOM 12 CB SER A 445 30.146 13.609 27.351 1.00 0.00 C ATOM 13 OG SER A 445 30.755 13.383 28.611 1.00 0.00 O ATOM 0 H SER A 445 31.319 15.789 26.660 1.00 0.00 H new ATOM 0 HA SER A 445 31.927 12.934 26.355 1.00 0.00 H new ATOM 0 HB2 SER A 445 29.544 14.517 27.392 1.00 0.00 H new ATOM 0 HB3 SER A 445 29.468 12.788 27.118 1.00 0.00 H new ATOM 0 HG SER A 445 30.062 13.306 29.300 1.00 0.00 H new ATOM 19 N SER A 446 30.544 12.396 24.335 1.00 0.00 N ATOM 20 CA SER A 446 29.946 12.139 23.030 1.00 0.00 C ATOM 21 C SER A 446 29.623 10.658 22.862 1.00 0.00 C ATOM 22 O SER A 446 30.131 9.813 23.598 1.00 0.00 O ATOM 23 CB SER A 446 30.888 12.597 21.915 1.00 0.00 C ATOM 24 OG SER A 446 31.399 13.893 22.178 1.00 0.00 O ATOM 0 H SER A 446 30.960 11.576 24.777 1.00 0.00 H new ATOM 0 HA SER A 446 29.017 12.705 22.966 1.00 0.00 H new ATOM 0 HB2 SER A 446 31.712 11.891 21.818 1.00 0.00 H new ATOM 0 HB3 SER A 446 30.356 12.599 20.963 1.00 0.00 H new ATOM 0 HG SER A 446 30.739 14.408 22.688 1.00 0.00 H new ATOM 30 N GLY A 447 28.773 10.350 21.887 1.00 0.00 N ATOM 31 CA GLY A 447 28.396 8.971 21.639 1.00 0.00 C ATOM 32 C GLY A 447 27.379 8.839 20.523 1.00 0.00 C ATOM 33 O GLY A 447 26.436 9.626 20.437 1.00 0.00 O ATOM 0 H GLY A 447 28.339 11.031 21.264 1.00 0.00 H new ATOM 0 HA2 GLY A 447 29.286 8.394 21.386 1.00 0.00 H new ATOM 0 HA3 GLY A 447 27.986 8.540 22.552 1.00 0.00 H new ATOM 37 N SER A 448 27.570 7.843 19.664 1.00 0.00 N ATOM 38 CA SER A 448 26.664 7.615 18.545 1.00 0.00 C ATOM 39 C SER A 448 26.848 6.211 17.976 1.00 0.00 C ATOM 40 O SER A 448 27.958 5.680 17.948 1.00 0.00 O ATOM 41 CB SER A 448 26.901 8.656 17.449 1.00 0.00 C ATOM 42 OG SER A 448 26.320 9.901 17.795 1.00 0.00 O ATOM 0 H SER A 448 28.344 7.181 19.722 1.00 0.00 H new ATOM 0 HA SER A 448 25.642 7.710 18.911 1.00 0.00 H new ATOM 0 HB2 SER A 448 27.972 8.783 17.289 1.00 0.00 H new ATOM 0 HB3 SER A 448 26.478 8.302 16.509 1.00 0.00 H new ATOM 0 HG SER A 448 25.984 9.861 18.715 1.00 0.00 H new ATOM 48 N SER A 449 25.749 5.615 17.522 1.00 0.00 N ATOM 49 CA SER A 449 25.786 4.271 16.957 1.00 0.00 C ATOM 50 C SER A 449 24.616 4.050 16.003 1.00 0.00 C ATOM 51 O SER A 449 23.455 4.093 16.407 1.00 0.00 O ATOM 52 CB SER A 449 25.754 3.225 18.073 1.00 0.00 C ATOM 53 OG SER A 449 27.024 3.095 18.687 1.00 0.00 O ATOM 0 H SER A 449 24.823 6.042 17.535 1.00 0.00 H new ATOM 0 HA SER A 449 26.714 4.165 16.396 1.00 0.00 H new ATOM 0 HB2 SER A 449 25.013 3.509 18.820 1.00 0.00 H new ATOM 0 HB3 SER A 449 25.444 2.263 17.665 1.00 0.00 H new ATOM 0 HG SER A 449 27.592 3.851 18.428 1.00 0.00 H new ATOM 59 N GLY A 450 24.932 3.814 14.734 1.00 0.00 N ATOM 60 CA GLY A 450 23.897 3.590 13.741 1.00 0.00 C ATOM 61 C GLY A 450 24.379 3.864 12.330 1.00 0.00 C ATOM 62 O GLY A 450 24.897 4.943 12.040 1.00 0.00 O ATOM 0 H GLY A 450 25.886 3.774 14.375 1.00 0.00 H new ATOM 0 HA2 GLY A 450 23.549 2.559 13.809 1.00 0.00 H new ATOM 0 HA3 GLY A 450 23.042 4.230 13.961 1.00 0.00 H new ATOM 66 N THR A 451 24.210 2.883 11.448 1.00 0.00 N ATOM 67 CA THR A 451 24.634 3.021 10.061 1.00 0.00 C ATOM 68 C THR A 451 23.438 2.990 9.115 1.00 0.00 C ATOM 69 O THR A 451 22.316 2.699 9.527 1.00 0.00 O ATOM 70 CB THR A 451 25.620 1.908 9.661 1.00 0.00 C ATOM 71 OG1 THR A 451 25.036 0.624 9.908 1.00 0.00 O ATOM 72 CG2 THR A 451 26.923 2.035 10.435 1.00 0.00 C ATOM 0 H THR A 451 23.782 1.984 11.671 1.00 0.00 H new ATOM 0 HA THR A 451 25.135 3.986 9.978 1.00 0.00 H new ATOM 0 HB THR A 451 25.836 2.010 8.598 1.00 0.00 H new ATOM 0 HG1 THR A 451 25.669 -0.078 9.649 1.00 0.00 H new ATOM 0 HG21 THR A 451 27.603 1.238 10.135 1.00 0.00 H new ATOM 0 HG22 THR A 451 27.380 3.001 10.222 1.00 0.00 H new ATOM 0 HG23 THR A 451 26.721 1.957 11.503 1.00 0.00 H new ATOM 80 N GLY A 452 23.687 3.290 7.844 1.00 0.00 N ATOM 81 CA GLY A 452 22.620 3.290 6.859 1.00 0.00 C ATOM 82 C GLY A 452 21.872 4.607 6.814 1.00 0.00 C ATOM 83 O GLY A 452 21.644 5.234 7.848 1.00 0.00 O ATOM 0 H GLY A 452 24.608 3.533 7.479 1.00 0.00 H new ATOM 0 HA2 GLY A 452 23.038 3.080 5.875 1.00 0.00 H new ATOM 0 HA3 GLY A 452 21.920 2.486 7.086 1.00 0.00 H new ATOM 87 N GLU A 453 21.492 5.029 5.612 1.00 0.00 N ATOM 88 CA GLU A 453 20.768 6.282 5.437 1.00 0.00 C ATOM 89 C GLU A 453 19.363 6.028 4.896 1.00 0.00 C ATOM 90 O GLU A 453 18.774 6.887 4.239 1.00 0.00 O ATOM 91 CB GLU A 453 21.531 7.210 4.490 1.00 0.00 C ATOM 92 CG GLU A 453 22.820 7.756 5.080 1.00 0.00 C ATOM 93 CD GLU A 453 22.591 8.970 5.959 1.00 0.00 C ATOM 94 OE1 GLU A 453 21.420 9.371 6.125 1.00 0.00 O ATOM 95 OE2 GLU A 453 23.584 9.519 6.482 1.00 0.00 O ATOM 0 H GLU A 453 21.673 4.522 4.746 1.00 0.00 H new ATOM 0 HA GLU A 453 20.682 6.761 6.412 1.00 0.00 H new ATOM 0 HB2 GLU A 453 21.762 6.669 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 453 20.886 8.044 4.214 1.00 0.00 H new ATOM 0 HG2 GLU A 453 23.307 6.975 5.665 1.00 0.00 H new ATOM 0 HG3 GLU A 453 23.502 8.021 4.272 1.00 0.00 H new ATOM 102 N LYS A 454 18.833 4.843 5.177 1.00 0.00 N ATOM 103 CA LYS A 454 17.498 4.474 4.721 1.00 0.00 C ATOM 104 C LYS A 454 16.457 4.754 5.801 1.00 0.00 C ATOM 105 O LYS A 454 16.707 4.542 6.988 1.00 0.00 O ATOM 106 CB LYS A 454 17.460 2.994 4.334 1.00 0.00 C ATOM 107 CG LYS A 454 16.909 2.744 2.941 1.00 0.00 C ATOM 108 CD LYS A 454 18.019 2.683 1.905 1.00 0.00 C ATOM 109 CE LYS A 454 18.661 1.305 1.855 1.00 0.00 C ATOM 110 NZ LYS A 454 19.995 1.338 1.193 1.00 0.00 N ATOM 0 H LYS A 454 19.308 4.121 5.719 1.00 0.00 H new ATOM 0 HA LYS A 454 17.260 5.079 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 454 18.468 2.585 4.396 1.00 0.00 H new ATOM 0 HB3 LYS A 454 16.852 2.453 5.059 1.00 0.00 H new ATOM 0 HG2 LYS A 454 16.350 1.808 2.932 1.00 0.00 H new ATOM 0 HG3 LYS A 454 16.208 3.536 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 454 17.616 2.933 0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 454 18.777 3.430 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 454 18.768 0.917 2.868 1.00 0.00 H new ATOM 0 HE3 LYS A 454 18.006 0.619 1.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 20.399 0.380 1.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 19.890 1.684 0.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 20.628 1.973 1.719 1.00 0.00 H new ATOM 124 N LEU A 455 15.291 5.231 5.381 1.00 0.00 N ATOM 125 CA LEU A 455 14.211 5.539 6.312 1.00 0.00 C ATOM 126 C LEU A 455 12.850 5.322 5.658 1.00 0.00 C ATOM 127 O LEU A 455 12.219 6.268 5.185 1.00 0.00 O ATOM 128 CB LEU A 455 14.330 6.983 6.802 1.00 0.00 C ATOM 129 CG LEU A 455 15.669 7.371 7.430 1.00 0.00 C ATOM 130 CD1 LEU A 455 15.760 8.879 7.606 1.00 0.00 C ATOM 131 CD2 LEU A 455 15.856 6.664 8.765 1.00 0.00 C ATOM 0 H LEU A 455 15.069 5.413 4.402 1.00 0.00 H new ATOM 0 HA LEU A 455 14.295 4.865 7.164 1.00 0.00 H new ATOM 0 HB2 LEU A 455 14.140 7.648 5.960 1.00 0.00 H new ATOM 0 HB3 LEU A 455 13.543 7.163 7.534 1.00 0.00 H new ATOM 0 HG LEU A 455 16.468 7.056 6.759 1.00 0.00 H new ATOM 0 HD11 LEU A 455 16.720 9.136 8.054 1.00 0.00 H new ATOM 0 HD12 LEU A 455 15.672 9.365 6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 455 14.954 9.219 8.256 1.00 0.00 H new ATOM 0 HD21 LEU A 455 16.814 6.952 9.198 1.00 0.00 H new ATOM 0 HD22 LEU A 455 15.051 6.948 9.443 1.00 0.00 H new ATOM 0 HD23 LEU A 455 15.837 5.585 8.611 1.00 0.00 H new ATOM 143 N TYR A 456 12.402 4.072 5.637 1.00 0.00 N ATOM 144 CA TYR A 456 11.115 3.731 5.042 1.00 0.00 C ATOM 145 C TYR A 456 10.211 3.041 6.058 1.00 0.00 C ATOM 146 O TYR A 456 10.611 2.075 6.706 1.00 0.00 O ATOM 147 CB TYR A 456 11.317 2.827 3.824 1.00 0.00 C ATOM 148 CG TYR A 456 12.337 3.354 2.841 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.444 4.715 2.583 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.194 2.491 2.169 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.374 5.202 1.685 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.128 2.969 1.270 1.00 0.00 C ATOM 153 CZ TYR A 456 14.214 4.325 1.031 1.00 0.00 C ATOM 154 OH TYR A 456 15.142 4.804 0.136 1.00 0.00 O ATOM 0 H TYR A 456 12.911 3.278 6.025 1.00 0.00 H new ATOM 0 HA TYR A 456 10.633 4.656 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.628 1.839 4.163 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.363 2.702 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.788 5.405 3.094 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.129 1.429 2.352 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.443 6.263 1.496 1.00 0.00 H new ATOM 0 HE2 TYR A 456 14.787 2.285 0.757 1.00 0.00 H new ATOM 0 HH TYR A 456 15.654 4.056 -0.236 1.00 0.00 H new ATOM 164 N ASN A 457 8.988 3.544 6.189 1.00 0.00 N ATOM 165 CA ASN A 457 8.024 2.977 7.126 1.00 0.00 C ATOM 166 C ASN A 457 6.644 3.596 6.927 1.00 0.00 C ATOM 167 O ASN A 457 6.473 4.810 7.043 1.00 0.00 O ATOM 168 CB ASN A 457 8.492 3.197 8.566 1.00 0.00 C ATOM 169 CG ASN A 457 7.746 2.322 9.556 1.00 0.00 C ATOM 170 OD1 ASN A 457 7.093 1.351 9.174 1.00 0.00 O ATOM 171 ND2 ASN A 457 7.841 2.664 10.835 1.00 0.00 N ATOM 0 H ASN A 457 8.641 4.343 5.658 1.00 0.00 H new ATOM 0 HA ASN A 457 7.953 1.906 6.934 1.00 0.00 H new ATOM 0 HB2 ASN A 457 9.560 2.989 8.634 1.00 0.00 H new ATOM 0 HB3 ASN A 457 8.353 4.244 8.834 1.00 0.00 H new ATOM 0 HD21 ASN A 457 7.361 2.113 11.547 1.00 0.00 H new ATOM 0 HD22 ASN A 457 8.394 3.477 11.106 1.00 0.00 H new ATOM 178 N CYS A 458 5.661 2.752 6.629 1.00 0.00 N ATOM 179 CA CYS A 458 4.295 3.214 6.414 1.00 0.00 C ATOM 180 C CYS A 458 3.734 3.859 7.678 1.00 0.00 C ATOM 181 O CYS A 458 3.734 3.253 8.750 1.00 0.00 O ATOM 182 CB CYS A 458 3.402 2.049 5.983 1.00 0.00 C ATOM 183 SG CYS A 458 1.800 2.559 5.284 1.00 0.00 S ATOM 0 H CYS A 458 5.786 1.744 6.531 1.00 0.00 H new ATOM 0 HA CYS A 458 4.311 3.962 5.622 1.00 0.00 H new ATOM 0 HB2 CYS A 458 3.935 1.451 5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.222 1.405 6.844 1.00 0.00 H new ATOM 188 N LYS A 459 3.255 5.091 7.545 1.00 0.00 N ATOM 189 CA LYS A 459 2.689 5.819 8.675 1.00 0.00 C ATOM 190 C LYS A 459 1.166 5.841 8.599 1.00 0.00 C ATOM 191 O LYS A 459 0.487 5.948 9.620 1.00 0.00 O ATOM 192 CB LYS A 459 3.230 7.250 8.708 1.00 0.00 C ATOM 193 CG LYS A 459 4.743 7.327 8.816 1.00 0.00 C ATOM 194 CD LYS A 459 5.191 8.631 9.455 1.00 0.00 C ATOM 195 CE LYS A 459 6.643 8.942 9.128 1.00 0.00 C ATOM 196 NZ LYS A 459 6.774 9.717 7.864 1.00 0.00 N ATOM 0 H LYS A 459 3.247 5.607 6.665 1.00 0.00 H new ATOM 0 HA LYS A 459 2.982 5.305 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 459 2.912 7.770 7.805 1.00 0.00 H new ATOM 0 HB3 LYS A 459 2.787 7.777 9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 459 5.110 6.487 9.406 1.00 0.00 H new ATOM 0 HG3 LYS A 459 5.185 7.237 7.824 1.00 0.00 H new ATOM 0 HD2 LYS A 459 4.556 9.445 9.106 1.00 0.00 H new ATOM 0 HD3 LYS A 459 5.066 8.570 10.536 1.00 0.00 H new ATOM 0 HE2 LYS A 459 7.087 9.507 9.948 1.00 0.00 H new ATOM 0 HE3 LYS A 459 7.203 8.011 9.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 7.779 9.909 7.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 6.374 9.168 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 6.261 10.617 7.954 1.00 0.00 H new ATOM 210 N GLU A 460 0.636 5.737 7.385 1.00 0.00 N ATOM 211 CA GLU A 460 -0.807 5.744 7.178 1.00 0.00 C ATOM 212 C GLU A 460 -1.483 4.666 8.021 1.00 0.00 C ATOM 213 O GLU A 460 -2.237 4.968 8.947 1.00 0.00 O ATOM 214 CB GLU A 460 -1.134 5.530 5.699 1.00 0.00 C ATOM 215 CG GLU A 460 -0.872 6.752 4.834 1.00 0.00 C ATOM 216 CD GLU A 460 -2.037 7.723 4.828 1.00 0.00 C ATOM 217 OE1 GLU A 460 -3.088 7.393 5.416 1.00 0.00 O ATOM 218 OE2 GLU A 460 -1.897 8.814 4.236 1.00 0.00 O ATOM 0 H GLU A 460 1.184 5.647 6.530 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.188 6.717 7.489 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.543 4.695 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -2.182 5.247 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 460 0.020 7.263 5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -0.665 6.432 3.813 1.00 0.00 H new ATOM 225 N CYS A 461 -1.208 3.408 7.693 1.00 0.00 N ATOM 226 CA CYS A 461 -1.789 2.284 8.417 1.00 0.00 C ATOM 227 C CYS A 461 -0.874 1.839 9.554 1.00 0.00 C ATOM 228 O CYS A 461 -1.330 1.273 10.547 1.00 0.00 O ATOM 229 CB CYS A 461 -2.044 1.114 7.465 1.00 0.00 C ATOM 230 SG CYS A 461 -0.529 0.295 6.871 1.00 0.00 S ATOM 0 H CYS A 461 -0.586 3.141 6.930 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.738 2.610 8.843 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.668 0.377 7.971 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.610 1.475 6.606 1.00 0.00 H new ATOM 235 N GLY A 462 0.421 2.099 9.401 1.00 0.00 N ATOM 236 CA GLY A 462 1.380 1.719 10.422 1.00 0.00 C ATOM 237 C GLY A 462 1.847 0.284 10.273 1.00 0.00 C ATOM 238 O GLY A 462 1.465 -0.586 11.056 1.00 0.00 O ATOM 0 H GLY A 462 0.823 2.566 8.588 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.241 2.385 10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 462 0.930 1.851 11.406 1.00 0.00 H new ATOM 242 N LYS A 463 2.675 0.035 9.265 1.00 0.00 N ATOM 243 CA LYS A 463 3.196 -1.303 9.014 1.00 0.00 C ATOM 244 C LYS A 463 4.580 -1.239 8.376 1.00 0.00 C ATOM 245 O LYS A 463 4.829 -0.419 7.492 1.00 0.00 O ATOM 246 CB LYS A 463 2.241 -2.083 8.107 1.00 0.00 C ATOM 247 CG LYS A 463 0.939 -2.473 8.786 1.00 0.00 C ATOM 248 CD LYS A 463 0.018 -3.222 7.838 1.00 0.00 C ATOM 249 CE LYS A 463 0.404 -4.689 7.729 1.00 0.00 C ATOM 250 NZ LYS A 463 -0.222 -5.508 8.804 1.00 0.00 N ATOM 0 H LYS A 463 3.000 0.744 8.607 1.00 0.00 H new ATOM 0 HA LYS A 463 3.280 -1.817 9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 463 2.016 -1.480 7.227 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.742 -2.985 7.756 1.00 0.00 H new ATOM 0 HG2 LYS A 463 1.153 -3.096 9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.436 -1.578 9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -1.011 -3.140 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 463 0.056 -2.760 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 463 0.100 -5.073 6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 463 1.488 -4.784 7.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 0.065 -6.502 8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 0.088 -5.157 9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -1.257 -5.438 8.736 1.00 0.00 H new ATOM 264 N SER A 464 5.477 -2.109 8.830 1.00 0.00 N ATOM 265 CA SER A 464 6.836 -2.148 8.305 1.00 0.00 C ATOM 266 C SER A 464 7.079 -3.435 7.521 1.00 0.00 C ATOM 267 O SER A 464 7.147 -4.522 8.095 1.00 0.00 O ATOM 268 CB SER A 464 7.850 -2.035 9.446 1.00 0.00 C ATOM 269 OG SER A 464 9.108 -1.591 8.968 1.00 0.00 O ATOM 0 H SER A 464 5.287 -2.796 9.560 1.00 0.00 H new ATOM 0 HA SER A 464 6.962 -1.301 7.630 1.00 0.00 H new ATOM 0 HB2 SER A 464 7.478 -1.341 10.200 1.00 0.00 H new ATOM 0 HB3 SER A 464 7.964 -3.004 9.933 1.00 0.00 H new ATOM 0 HG SER A 464 9.738 -1.525 9.716 1.00 0.00 H new ATOM 275 N PHE A 465 7.208 -3.302 6.205 1.00 0.00 N ATOM 276 CA PHE A 465 7.441 -4.453 5.340 1.00 0.00 C ATOM 277 C PHE A 465 8.888 -4.926 5.443 1.00 0.00 C ATOM 278 O PHE A 465 9.715 -4.291 6.097 1.00 0.00 O ATOM 279 CB PHE A 465 7.110 -4.102 3.888 1.00 0.00 C ATOM 280 CG PHE A 465 5.636 -4.053 3.604 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.824 -3.133 4.247 1.00 0.00 C ATOM 282 CD2 PHE A 465 5.063 -4.927 2.695 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.467 -3.085 3.987 1.00 0.00 C ATOM 284 CE2 PHE A 465 3.707 -4.884 2.431 1.00 0.00 C ATOM 285 CZ PHE A 465 2.908 -3.963 3.079 1.00 0.00 C ATOM 0 H PHE A 465 7.155 -2.409 5.714 1.00 0.00 H new ATOM 0 HA PHE A 465 6.788 -5.261 5.669 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.551 -3.135 3.647 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.574 -4.837 3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.256 -2.446 4.959 1.00 0.00 H new ATOM 0 HD2 PHE A 465 5.683 -5.651 2.187 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.845 -2.362 4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 465 3.273 -5.570 1.719 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.848 -3.929 2.876 1.00 0.00 H new ATOM 295 N SER A 466 9.186 -6.047 4.794 1.00 0.00 N ATOM 296 CA SER A 466 10.531 -6.609 4.816 1.00 0.00 C ATOM 297 C SER A 466 11.371 -6.054 3.669 1.00 0.00 C ATOM 298 O SER A 466 12.572 -5.831 3.817 1.00 0.00 O ATOM 299 CB SER A 466 10.471 -8.135 4.726 1.00 0.00 C ATOM 300 OG SER A 466 9.444 -8.554 3.843 1.00 0.00 O ATOM 0 H SER A 466 8.514 -6.584 4.246 1.00 0.00 H new ATOM 0 HA SER A 466 11.000 -6.326 5.758 1.00 0.00 H new ATOM 0 HB2 SER A 466 11.431 -8.520 4.381 1.00 0.00 H new ATOM 0 HB3 SER A 466 10.296 -8.554 5.717 1.00 0.00 H new ATOM 0 HG SER A 466 9.427 -9.533 3.802 1.00 0.00 H new ATOM 306 N ARG A 467 10.728 -5.832 2.527 1.00 0.00 N ATOM 307 CA ARG A 467 11.415 -5.304 1.355 1.00 0.00 C ATOM 308 C ARG A 467 11.261 -3.788 1.271 1.00 0.00 C ATOM 309 O ARG A 467 10.160 -3.276 1.075 1.00 0.00 O ATOM 310 CB ARG A 467 10.868 -5.953 0.082 1.00 0.00 C ATOM 311 CG ARG A 467 11.051 -7.461 0.040 1.00 0.00 C ATOM 312 CD ARG A 467 12.449 -7.840 -0.422 1.00 0.00 C ATOM 313 NE ARG A 467 12.709 -9.269 -0.265 1.00 0.00 N ATOM 314 CZ ARG A 467 13.866 -9.844 -0.573 1.00 0.00 C ATOM 315 NH1 ARG A 467 14.865 -9.115 -1.053 1.00 0.00 N ATOM 316 NH2 ARG A 467 14.026 -11.150 -0.402 1.00 0.00 N ATOM 0 H ARG A 467 9.733 -6.010 2.389 1.00 0.00 H new ATOM 0 HA ARG A 467 12.475 -5.540 1.450 1.00 0.00 H new ATOM 0 HB2 ARG A 467 9.806 -5.722 -0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 467 11.363 -5.511 -0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 467 10.868 -7.878 1.030 1.00 0.00 H new ATOM 0 HG3 ARG A 467 10.313 -7.900 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 467 12.573 -7.562 -1.469 1.00 0.00 H new ATOM 0 HD3 ARG A 467 13.185 -7.273 0.148 1.00 0.00 H new ATOM 0 HE ARG A 467 11.961 -9.858 0.101 1.00 0.00 H new ATOM 0 HH11 ARG A 467 14.745 -8.111 -1.186 1.00 0.00 H new ATOM 0 HH12 ARG A 467 15.753 -9.559 -1.289 1.00 0.00 H new ATOM 0 HH21 ARG A 467 13.260 -11.714 -0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 467 14.915 -11.590 -0.639 1.00 0.00 H new ATOM 330 N ALA A 468 12.374 -3.077 1.423 1.00 0.00 N ATOM 331 CA ALA A 468 12.363 -1.620 1.364 1.00 0.00 C ATOM 332 C ALA A 468 11.745 -1.129 0.060 1.00 0.00 C ATOM 333 O ALA A 468 10.799 -0.341 0.051 1.00 0.00 O ATOM 334 CB ALA A 468 13.775 -1.076 1.520 1.00 0.00 C ATOM 0 H ALA A 468 13.294 -3.486 1.588 1.00 0.00 H new ATOM 0 HA ALA A 468 11.751 -1.251 2.187 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.753 0.013 1.474 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.182 -1.390 2.481 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.404 -1.460 0.717 1.00 0.00 H new ATOM 340 N PRO A 469 12.291 -1.602 -1.070 1.00 0.00 N ATOM 341 CA PRO A 469 11.809 -1.223 -2.402 1.00 0.00 C ATOM 342 C PRO A 469 10.293 -1.327 -2.520 1.00 0.00 C ATOM 343 O PRO A 469 9.668 -0.591 -3.286 1.00 0.00 O ATOM 344 CB PRO A 469 12.489 -2.235 -3.327 1.00 0.00 C ATOM 345 CG PRO A 469 13.720 -2.648 -2.597 1.00 0.00 C ATOM 346 CD PRO A 469 13.422 -2.543 -1.135 1.00 0.00 C ATOM 0 HA PRO A 469 12.042 -0.185 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 469 11.841 -3.089 -3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 469 12.732 -1.789 -4.292 1.00 0.00 H new ATOM 0 HG2 PRO A 469 14.000 -3.668 -2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 469 14.560 -2.007 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO A 469 13.160 -3.512 -0.710 1.00 0.00 H new ATOM 0 HD3 PRO A 469 14.282 -2.173 -0.578 1.00 0.00 H new ATOM 354 N CYS A 470 9.706 -2.244 -1.759 1.00 0.00 N ATOM 355 CA CYS A 470 8.261 -2.445 -1.779 1.00 0.00 C ATOM 356 C CYS A 470 7.574 -1.548 -0.755 1.00 0.00 C ATOM 357 O CYS A 470 6.463 -1.066 -0.982 1.00 0.00 O ATOM 358 CB CYS A 470 7.925 -3.910 -1.500 1.00 0.00 C ATOM 359 SG CYS A 470 8.614 -5.069 -2.705 1.00 0.00 S ATOM 0 H CYS A 470 10.208 -2.860 -1.120 1.00 0.00 H new ATOM 0 HA CYS A 470 7.895 -2.179 -2.771 1.00 0.00 H new ATOM 0 HB2 CYS A 470 8.292 -4.173 -0.508 1.00 0.00 H new ATOM 0 HB3 CYS A 470 6.841 -4.025 -1.480 1.00 0.00 H new ATOM 0 HG CYS A 470 8.277 -6.282 -2.382 1.00 0.00 H new ATOM 365 N LEU A 471 8.240 -1.329 0.373 1.00 0.00 N ATOM 366 CA LEU A 471 7.692 -0.491 1.434 1.00 0.00 C ATOM 367 C LEU A 471 7.404 0.917 0.922 1.00 0.00 C ATOM 368 O LEU A 471 6.385 1.518 1.266 1.00 0.00 O ATOM 369 CB LEU A 471 8.663 -0.428 2.614 1.00 0.00 C ATOM 370 CG LEU A 471 8.138 0.247 3.881 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.811 -0.367 4.302 1.00 0.00 C ATOM 372 CD2 LEU A 471 9.157 0.139 5.006 1.00 0.00 C ATOM 0 H LEU A 471 9.160 -1.720 0.577 1.00 0.00 H new ATOM 0 HA LEU A 471 6.754 -0.936 1.767 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.963 -1.445 2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.561 0.099 2.292 1.00 0.00 H new ATOM 0 HG LEU A 471 7.976 1.303 3.665 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.452 0.126 5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 471 6.080 -0.237 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.948 -1.430 4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.765 0.625 5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 471 9.352 -0.912 5.221 1.00 0.00 H new ATOM 0 HD23 LEU A 471 10.084 0.626 4.705 1.00 0.00 H new ATOM 384 N LEU A 472 8.306 1.437 0.098 1.00 0.00 N ATOM 385 CA LEU A 472 8.148 2.774 -0.464 1.00 0.00 C ATOM 386 C LEU A 472 6.886 2.862 -1.315 1.00 0.00 C ATOM 387 O LEU A 472 6.140 3.839 -1.241 1.00 0.00 O ATOM 388 CB LEU A 472 9.371 3.143 -1.306 1.00 0.00 C ATOM 389 CG LEU A 472 10.611 3.588 -0.529 1.00 0.00 C ATOM 390 CD1 LEU A 472 11.876 3.098 -1.217 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.634 5.102 -0.383 1.00 0.00 C ATOM 0 H LEU A 472 9.155 0.954 -0.196 1.00 0.00 H new ATOM 0 HA LEU A 472 8.057 3.479 0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.640 2.282 -1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.088 3.944 -1.990 1.00 0.00 H new ATOM 0 HG LEU A 472 10.569 3.148 0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 472 12.748 3.424 -0.650 1.00 0.00 H new ATOM 0 HD12 LEU A 472 11.863 2.009 -1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 472 11.924 3.509 -2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.523 5.401 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 472 10.651 5.563 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 472 9.744 5.429 0.154 1.00 0.00 H new ATOM 403 N LYS A 473 6.650 1.833 -2.122 1.00 0.00 N ATOM 404 CA LYS A 473 5.476 1.790 -2.986 1.00 0.00 C ATOM 405 C LYS A 473 4.200 1.653 -2.162 1.00 0.00 C ATOM 406 O LYS A 473 3.201 2.321 -2.431 1.00 0.00 O ATOM 407 CB LYS A 473 5.586 0.626 -3.973 1.00 0.00 C ATOM 408 CG LYS A 473 6.576 0.875 -5.099 1.00 0.00 C ATOM 409 CD LYS A 473 6.498 -0.211 -6.159 1.00 0.00 C ATOM 410 CE LYS A 473 7.358 0.129 -7.367 1.00 0.00 C ATOM 411 NZ LYS A 473 6.940 -0.634 -8.576 1.00 0.00 N ATOM 0 H LYS A 473 7.257 1.017 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 473 5.430 2.726 -3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.883 -0.272 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.603 0.430 -4.401 1.00 0.00 H new ATOM 0 HG2 LYS A 473 6.374 1.845 -5.554 1.00 0.00 H new ATOM 0 HG3 LYS A 473 7.587 0.917 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 473 6.824 -1.160 -5.734 1.00 0.00 H new ATOM 0 HD3 LYS A 473 5.462 -0.341 -6.473 1.00 0.00 H new ATOM 0 HE2 LYS A 473 7.292 1.198 -7.571 1.00 0.00 H new ATOM 0 HE3 LYS A 473 8.402 -0.089 -7.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 7.549 -0.375 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 7.027 -1.654 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 5.951 -0.407 -8.805 1.00 0.00 H new ATOM 425 N HIS A 474 4.240 0.785 -1.157 1.00 0.00 N ATOM 426 CA HIS A 474 3.087 0.562 -0.292 1.00 0.00 C ATOM 427 C HIS A 474 2.620 1.870 0.340 1.00 0.00 C ATOM 428 O HIS A 474 1.422 2.111 0.476 1.00 0.00 O ATOM 429 CB HIS A 474 3.430 -0.451 0.801 1.00 0.00 C ATOM 430 CG HIS A 474 2.360 -0.598 1.838 1.00 0.00 C ATOM 431 ND1 HIS A 474 1.263 -1.419 1.677 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.224 -0.026 3.057 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.498 -1.342 2.751 1.00 0.00 C ATOM 434 NE2 HIS A 474 1.059 -0.504 3.604 1.00 0.00 N ATOM 0 H HIS A 474 5.059 0.224 -0.921 1.00 0.00 H new ATOM 0 HA HIS A 474 2.277 0.165 -0.904 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.614 -1.422 0.341 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.357 -0.148 1.288 1.00 0.00 H new ATOM 0 HD1 HIS A 474 1.073 -1.995 0.857 1.00 0.00 H new ATOM 0 HD2 HIS A 474 2.905 0.676 3.514 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.429 -1.874 2.906 1.00 0.00 H new ATOM 442 N GLU A 475 3.577 2.710 0.723 1.00 0.00 N ATOM 443 CA GLU A 475 3.262 3.993 1.342 1.00 0.00 C ATOM 444 C GLU A 475 2.548 4.912 0.356 1.00 0.00 C ATOM 445 O GLU A 475 1.751 5.764 0.750 1.00 0.00 O ATOM 446 CB GLU A 475 4.539 4.666 1.850 1.00 0.00 C ATOM 447 CG GLU A 475 5.143 3.987 3.068 1.00 0.00 C ATOM 448 CD GLU A 475 5.943 4.942 3.931 1.00 0.00 C ATOM 449 OE1 GLU A 475 5.358 5.927 4.427 1.00 0.00 O ATOM 450 OE2 GLU A 475 7.156 4.703 4.112 1.00 0.00 O ATOM 0 H GLU A 475 4.575 2.526 0.616 1.00 0.00 H new ATOM 0 HA GLU A 475 2.597 3.807 2.185 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.277 4.678 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.319 5.705 2.096 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.346 3.544 3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 475 5.788 3.171 2.742 1.00 0.00 H new ATOM 457 N ARG A 476 2.839 4.733 -0.929 1.00 0.00 N ATOM 458 CA ARG A 476 2.226 5.547 -1.972 1.00 0.00 C ATOM 459 C ARG A 476 0.807 5.072 -2.268 1.00 0.00 C ATOM 460 O ARG A 476 -0.066 5.869 -2.614 1.00 0.00 O ATOM 461 CB ARG A 476 3.069 5.498 -3.248 1.00 0.00 C ATOM 462 CG ARG A 476 4.514 5.923 -3.040 1.00 0.00 C ATOM 463 CD ARG A 476 4.662 7.436 -3.086 1.00 0.00 C ATOM 464 NE ARG A 476 4.712 7.939 -4.456 1.00 0.00 N ATOM 465 CZ ARG A 476 4.588 9.223 -4.773 1.00 0.00 C ATOM 466 NH1 ARG A 476 4.408 10.129 -3.821 1.00 0.00 N ATOM 467 NH2 ARG A 476 4.645 9.603 -6.043 1.00 0.00 N ATOM 0 H ARG A 476 3.495 4.032 -1.272 1.00 0.00 H new ATOM 0 HA ARG A 476 2.179 6.576 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 476 3.051 4.484 -3.646 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.614 6.143 -3.999 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.869 5.551 -2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 476 5.141 5.471 -3.808 1.00 0.00 H new ATOM 0 HD2 ARG A 476 3.826 7.898 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 476 5.571 7.728 -2.559 1.00 0.00 H new ATOM 0 HE ARG A 476 4.850 7.267 -5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 476 4.365 9.840 -2.844 1.00 0.00 H new ATOM 0 HH12 ARG A 476 4.313 11.115 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 476 4.784 8.909 -6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 476 4.550 10.589 -6.285 1.00 0.00 H new ATOM 481 N LEU A 477 0.584 3.770 -2.131 1.00 0.00 N ATOM 482 CA LEU A 477 -0.729 3.187 -2.385 1.00 0.00 C ATOM 483 C LEU A 477 -1.809 3.907 -1.583 1.00 0.00 C ATOM 484 O LEU A 477 -2.883 4.212 -2.101 1.00 0.00 O ATOM 485 CB LEU A 477 -0.725 1.698 -2.035 1.00 0.00 C ATOM 486 CG LEU A 477 -0.092 0.767 -3.069 1.00 0.00 C ATOM 487 CD1 LEU A 477 0.293 -0.558 -2.430 1.00 0.00 C ATOM 488 CD2 LEU A 477 -1.041 0.542 -4.237 1.00 0.00 C ATOM 0 H LEU A 477 1.296 3.097 -1.845 1.00 0.00 H new ATOM 0 HA LEU A 477 -0.951 3.303 -3.446 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -0.199 1.569 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -1.755 1.381 -1.872 1.00 0.00 H new ATOM 0 HG LEU A 477 0.813 1.240 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 477 0.742 -1.208 -3.181 1.00 0.00 H new ATOM 0 HD12 LEU A 477 1.010 -0.381 -1.629 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -0.597 -1.037 -2.021 1.00 0.00 H new ATOM 0 HD21 LEU A 477 -0.573 -0.123 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.964 0.091 -3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -1.266 1.497 -4.712 1.00 0.00 H new ATOM 500 N HIS A 478 -1.514 4.179 -0.315 1.00 0.00 N ATOM 501 CA HIS A 478 -2.458 4.867 0.559 1.00 0.00 C ATOM 502 C HIS A 478 -2.769 6.263 0.030 1.00 0.00 C ATOM 503 O HIS A 478 -1.991 7.198 0.222 1.00 0.00 O ATOM 504 CB HIS A 478 -1.897 4.959 1.978 1.00 0.00 C ATOM 505 CG HIS A 478 -1.761 3.630 2.656 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.814 2.991 3.276 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.688 2.819 2.808 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.394 1.845 3.781 1.00 0.00 C ATOM 509 NE2 HIS A 478 -1.107 1.716 3.510 1.00 0.00 N ATOM 0 H HIS A 478 -0.629 3.934 0.130 1.00 0.00 H new ATOM 0 HA HIS A 478 -3.383 4.291 0.579 1.00 0.00 H new ATOM 0 HB2 HIS A 478 -0.920 5.441 1.943 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -2.547 5.598 2.576 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.768 3.347 3.335 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.312 3.005 2.445 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -3.000 1.134 4.323 1.00 0.00 H new ATOM 517 N SER A 479 -3.912 6.398 -0.636 1.00 0.00 N ATOM 518 CA SER A 479 -4.323 7.680 -1.196 1.00 0.00 C ATOM 519 C SER A 479 -4.622 8.686 -0.089 1.00 0.00 C ATOM 520 O SER A 479 -3.944 9.704 0.039 1.00 0.00 O ATOM 521 CB SER A 479 -5.557 7.500 -2.083 1.00 0.00 C ATOM 522 OG SER A 479 -6.026 8.748 -2.563 1.00 0.00 O ATOM 0 H SER A 479 -4.569 5.636 -0.801 1.00 0.00 H new ATOM 0 HA SER A 479 -3.502 8.065 -1.800 1.00 0.00 H new ATOM 0 HB2 SER A 479 -5.313 6.852 -2.924 1.00 0.00 H new ATOM 0 HB3 SER A 479 -6.346 7.004 -1.518 1.00 0.00 H new ATOM 0 HG SER A 479 -6.814 8.606 -3.128 1.00 0.00 H new ATOM 528 N GLY A 480 -5.643 8.392 0.710 1.00 0.00 N ATOM 529 CA GLY A 480 -6.014 9.279 1.797 1.00 0.00 C ATOM 530 C GLY A 480 -7.348 9.959 1.559 1.00 0.00 C ATOM 531 O GLY A 480 -7.972 9.767 0.517 1.00 0.00 O ATOM 0 H GLY A 480 -6.220 7.555 0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -6.060 8.711 2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -5.241 10.037 1.924 1.00 0.00 H new ATOM 535 N GLU A 481 -7.786 10.755 2.530 1.00 0.00 N ATOM 536 CA GLU A 481 -9.056 11.464 2.422 1.00 0.00 C ATOM 537 C GLU A 481 -8.829 12.962 2.246 1.00 0.00 C ATOM 538 O GLU A 481 -7.791 13.496 2.638 1.00 0.00 O ATOM 539 CB GLU A 481 -9.915 11.208 3.662 1.00 0.00 C ATOM 540 CG GLU A 481 -11.408 11.326 3.403 1.00 0.00 C ATOM 541 CD GLU A 481 -12.242 10.747 4.529 1.00 0.00 C ATOM 542 OE1 GLU A 481 -12.485 9.522 4.517 1.00 0.00 O ATOM 543 OE2 GLU A 481 -12.653 11.518 5.421 1.00 0.00 O ATOM 0 H GLU A 481 -7.280 10.925 3.399 1.00 0.00 H new ATOM 0 HA GLU A 481 -9.580 11.088 1.543 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -9.699 10.210 4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -9.633 11.916 4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -11.668 12.376 3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -11.653 10.813 2.473 1.00 0.00 H new ATOM 550 N LYS A 482 -9.809 13.637 1.653 1.00 0.00 N ATOM 551 CA LYS A 482 -9.719 15.074 1.424 1.00 0.00 C ATOM 552 C LYS A 482 -8.479 15.418 0.605 1.00 0.00 C ATOM 553 O LYS A 482 -7.519 16.006 1.105 1.00 0.00 O ATOM 554 CB LYS A 482 -9.686 15.822 2.759 1.00 0.00 C ATOM 555 CG LYS A 482 -11.060 16.046 3.365 1.00 0.00 C ATOM 556 CD LYS A 482 -11.003 17.016 4.533 1.00 0.00 C ATOM 557 CE LYS A 482 -12.382 17.562 4.872 1.00 0.00 C ATOM 558 NZ LYS A 482 -12.301 18.838 5.636 1.00 0.00 N ATOM 0 H LYS A 482 -10.675 13.211 1.322 1.00 0.00 H new ATOM 0 HA LYS A 482 -10.600 15.384 0.862 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -9.074 15.261 3.465 1.00 0.00 H new ATOM 0 HB3 LYS A 482 -9.201 16.787 2.613 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -11.736 16.433 2.603 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -11.470 15.094 3.701 1.00 0.00 H new ATOM 0 HD2 LYS A 482 -10.585 16.513 5.405 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -10.334 17.841 4.290 1.00 0.00 H new ATOM 0 HE2 LYS A 482 -12.944 17.724 3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 482 -12.932 16.823 5.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 -13.261 19.177 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 -11.786 18.678 6.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 -11.799 19.551 5.069 1.00 0.00 H new ATOM 572 N PRO A 483 -8.497 15.046 -0.683 1.00 0.00 N ATOM 573 CA PRO A 483 -7.383 15.307 -1.599 1.00 0.00 C ATOM 574 C PRO A 483 -7.238 16.790 -1.928 1.00 0.00 C ATOM 575 O PRO A 483 -8.198 17.554 -1.829 1.00 0.00 O ATOM 576 CB PRO A 483 -7.761 14.516 -2.853 1.00 0.00 C ATOM 577 CG PRO A 483 -9.247 14.415 -2.804 1.00 0.00 C ATOM 578 CD PRO A 483 -9.608 14.342 -1.346 1.00 0.00 C ATOM 0 HA PRO A 483 -6.425 15.016 -1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 483 -7.428 15.025 -3.757 1.00 0.00 H new ATOM 0 HB3 PRO A 483 -7.297 13.530 -2.854 1.00 0.00 H new ATOM 0 HG2 PRO A 483 -9.713 15.278 -3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 483 -9.596 13.531 -3.337 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -10.565 14.823 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -9.691 13.310 -1.004 1.00 0.00 H new ATOM 586 N SER A 484 -6.032 17.189 -2.319 1.00 0.00 N ATOM 587 CA SER A 484 -5.761 18.581 -2.659 1.00 0.00 C ATOM 588 C SER A 484 -5.436 18.724 -4.143 1.00 0.00 C ATOM 589 O SER A 484 -4.459 18.160 -4.633 1.00 0.00 O ATOM 590 CB SER A 484 -4.602 19.117 -1.817 1.00 0.00 C ATOM 591 OG SER A 484 -4.165 20.378 -2.295 1.00 0.00 O ATOM 0 H SER A 484 -5.227 16.568 -2.408 1.00 0.00 H new ATOM 0 HA SER A 484 -6.657 19.163 -2.443 1.00 0.00 H new ATOM 0 HB2 SER A 484 -4.915 19.207 -0.777 1.00 0.00 H new ATOM 0 HB3 SER A 484 -3.774 18.409 -1.840 1.00 0.00 H new ATOM 0 HG SER A 484 -3.425 20.700 -1.739 1.00 0.00 H new ATOM 597 N GLY A 485 -6.264 19.484 -4.853 1.00 0.00 N ATOM 598 CA GLY A 485 -6.048 19.689 -6.274 1.00 0.00 C ATOM 599 C GLY A 485 -7.347 19.809 -7.046 1.00 0.00 C ATOM 600 O GLY A 485 -8.430 19.910 -6.469 1.00 0.00 O ATOM 0 H GLY A 485 -7.080 19.961 -4.470 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -5.456 20.592 -6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -5.467 18.858 -6.674 1.00 0.00 H new ATOM 604 N PRO A 486 -7.248 19.802 -8.383 1.00 0.00 N ATOM 605 CA PRO A 486 -8.414 19.911 -9.264 1.00 0.00 C ATOM 606 C PRO A 486 -9.290 18.663 -9.224 1.00 0.00 C ATOM 607 O PRO A 486 -8.901 17.604 -9.715 1.00 0.00 O ATOM 608 CB PRO A 486 -7.795 20.085 -10.653 1.00 0.00 C ATOM 609 CG PRO A 486 -6.451 19.451 -10.550 1.00 0.00 C ATOM 610 CD PRO A 486 -5.989 19.685 -9.139 1.00 0.00 C ATOM 0 HA PRO A 486 -9.071 20.729 -8.970 1.00 0.00 H new ATOM 0 HB2 PRO A 486 -8.402 19.604 -11.420 1.00 0.00 H new ATOM 0 HB3 PRO A 486 -7.716 21.138 -10.922 1.00 0.00 H new ATOM 0 HG2 PRO A 486 -6.505 18.385 -10.771 1.00 0.00 H new ATOM 0 HG3 PRO A 486 -5.756 19.891 -11.266 1.00 0.00 H new ATOM 0 HD2 PRO A 486 -5.377 18.860 -8.775 1.00 0.00 H new ATOM 0 HD3 PRO A 486 -5.386 20.590 -9.058 1.00 0.00 H new ATOM 618 N SER A 487 -10.475 18.796 -8.636 1.00 0.00 N ATOM 619 CA SER A 487 -11.405 17.678 -8.530 1.00 0.00 C ATOM 620 C SER A 487 -12.040 17.368 -9.882 1.00 0.00 C ATOM 621 O SER A 487 -12.822 18.160 -10.409 1.00 0.00 O ATOM 622 CB SER A 487 -12.494 17.990 -7.502 1.00 0.00 C ATOM 623 OG SER A 487 -13.618 17.145 -7.677 1.00 0.00 O ATOM 0 H SER A 487 -10.813 19.667 -8.226 1.00 0.00 H new ATOM 0 HA SER A 487 -10.845 16.802 -8.202 1.00 0.00 H new ATOM 0 HB2 SER A 487 -12.095 17.865 -6.495 1.00 0.00 H new ATOM 0 HB3 SER A 487 -12.800 19.032 -7.597 1.00 0.00 H new ATOM 0 HG SER A 487 -14.299 17.363 -7.007 1.00 0.00 H new ATOM 629 N SER A 488 -11.697 16.211 -10.438 1.00 0.00 N ATOM 630 CA SER A 488 -12.230 15.797 -11.731 1.00 0.00 C ATOM 631 C SER A 488 -13.427 14.868 -11.553 1.00 0.00 C ATOM 632 O SER A 488 -13.435 14.008 -10.673 1.00 0.00 O ATOM 633 CB SER A 488 -11.145 15.097 -12.553 1.00 0.00 C ATOM 634 OG SER A 488 -11.588 14.850 -13.876 1.00 0.00 O ATOM 0 H SER A 488 -11.053 15.544 -10.014 1.00 0.00 H new ATOM 0 HA SER A 488 -12.560 16.689 -12.263 1.00 0.00 H new ATOM 0 HB2 SER A 488 -10.247 15.714 -12.576 1.00 0.00 H new ATOM 0 HB3 SER A 488 -10.873 14.156 -12.075 1.00 0.00 H new ATOM 0 HG SER A 488 -10.877 14.404 -14.381 1.00 0.00 H new ATOM 640 N GLY A 489 -14.439 15.048 -12.396 1.00 0.00 N ATOM 641 CA GLY A 489 -15.628 14.220 -12.317 1.00 0.00 C ATOM 642 C GLY A 489 -16.139 13.806 -13.682 1.00 0.00 C ATOM 643 O GLY A 489 -16.290 12.610 -13.927 1.00 0.00 O ATOM 0 H GLY A 489 -14.457 15.753 -13.133 1.00 0.00 H new ATOM 0 HA2 GLY A 489 -15.408 13.329 -11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 489 -16.411 14.764 -11.789 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.274 0.986 4.828 1.00 0.00 ZN