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 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 :FLIP amide:sc= -0.81 F(o=-1.6,f=-0.81) 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 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 -38:sc= 0.00286 USER MOD Single : A 482 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0268) 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 36.928 21.417 23.484 1.00 0.00 N ATOM 2 CA GLY A 444 36.994 22.120 22.216 1.00 0.00 C ATOM 3 C GLY A 444 36.707 21.214 21.035 1.00 0.00 C ATOM 4 O GLY A 444 37.565 20.437 20.617 1.00 0.00 O ATOM 0 HA2 GLY A 444 36.278 22.942 22.222 1.00 0.00 H new ATOM 0 HA3 GLY A 444 37.984 22.561 22.100 1.00 0.00 H new ATOM 8 N SER A 445 35.495 21.312 20.497 1.00 0.00 N ATOM 9 CA SER A 445 35.094 20.490 19.361 1.00 0.00 C ATOM 10 C SER A 445 34.080 21.225 18.491 1.00 0.00 C ATOM 11 O SER A 445 32.947 21.465 18.907 1.00 0.00 O ATOM 12 CB SER A 445 34.503 19.165 19.846 1.00 0.00 C ATOM 13 OG SER A 445 34.480 18.205 18.803 1.00 0.00 O ATOM 0 H SER A 445 34.774 21.952 20.830 1.00 0.00 H new ATOM 0 HA SER A 445 35.981 20.285 18.761 1.00 0.00 H new ATOM 0 HB2 SER A 445 35.091 18.785 20.681 1.00 0.00 H new ATOM 0 HB3 SER A 445 33.491 19.328 20.217 1.00 0.00 H new ATOM 0 HG SER A 445 34.100 17.366 19.139 1.00 0.00 H new ATOM 19 N SER A 446 34.496 21.580 17.279 1.00 0.00 N ATOM 20 CA SER A 446 33.625 22.291 16.350 1.00 0.00 C ATOM 21 C SER A 446 33.681 21.660 14.962 1.00 0.00 C ATOM 22 O SER A 446 34.750 21.287 14.480 1.00 0.00 O ATOM 23 CB SER A 446 34.027 23.765 16.269 1.00 0.00 C ATOM 24 OG SER A 446 32.991 24.545 15.695 1.00 0.00 O ATOM 0 H SER A 446 35.430 21.387 16.918 1.00 0.00 H new ATOM 0 HA SER A 446 32.603 22.220 16.721 1.00 0.00 H new ATOM 0 HB2 SER A 446 34.257 24.138 17.267 1.00 0.00 H new ATOM 0 HB3 SER A 446 34.935 23.866 15.674 1.00 0.00 H new ATOM 0 HG SER A 446 33.271 25.483 15.656 1.00 0.00 H new ATOM 30 N GLY A 447 32.520 21.543 14.324 1.00 0.00 N ATOM 31 CA GLY A 447 32.458 20.957 12.998 1.00 0.00 C ATOM 32 C GLY A 447 31.047 20.921 12.446 1.00 0.00 C ATOM 33 O GLY A 447 30.382 21.953 12.354 1.00 0.00 O ATOM 0 H GLY A 447 31.622 21.844 14.702 1.00 0.00 H new ATOM 0 HA2 GLY A 447 33.095 21.527 12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 447 32.857 19.943 13.033 1.00 0.00 H new ATOM 37 N SER A 448 30.588 19.730 12.075 1.00 0.00 N ATOM 38 CA SER A 448 29.248 19.565 11.523 1.00 0.00 C ATOM 39 C SER A 448 28.510 18.427 12.221 1.00 0.00 C ATOM 40 O SER A 448 29.112 17.423 12.602 1.00 0.00 O ATOM 41 CB SER A 448 29.323 19.293 10.020 1.00 0.00 C ATOM 42 OG SER A 448 29.535 17.916 9.760 1.00 0.00 O ATOM 0 H SER A 448 31.124 18.865 12.147 1.00 0.00 H new ATOM 0 HA SER A 448 28.696 20.490 11.690 1.00 0.00 H new ATOM 0 HB2 SER A 448 28.399 19.618 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 448 30.132 19.878 9.582 1.00 0.00 H new ATOM 0 HG SER A 448 29.577 17.769 8.792 1.00 0.00 H new ATOM 48 N SER A 449 27.201 18.592 12.386 1.00 0.00 N ATOM 49 CA SER A 449 26.380 17.581 13.041 1.00 0.00 C ATOM 50 C SER A 449 25.037 17.429 12.333 1.00 0.00 C ATOM 51 O SER A 449 24.760 18.116 11.351 1.00 0.00 O ATOM 52 CB SER A 449 26.157 17.949 14.510 1.00 0.00 C ATOM 53 OG SER A 449 27.390 18.096 15.192 1.00 0.00 O ATOM 0 H SER A 449 26.687 19.416 12.075 1.00 0.00 H new ATOM 0 HA SER A 449 26.908 16.629 12.988 1.00 0.00 H new ATOM 0 HB2 SER A 449 25.590 18.878 14.573 1.00 0.00 H new ATOM 0 HB3 SER A 449 25.560 17.177 14.995 1.00 0.00 H new ATOM 0 HG SER A 449 27.220 18.333 16.128 1.00 0.00 H new ATOM 59 N GLY A 450 24.206 16.524 12.841 1.00 0.00 N ATOM 60 CA GLY A 450 22.902 16.297 12.246 1.00 0.00 C ATOM 61 C GLY A 450 22.996 15.710 10.851 1.00 0.00 C ATOM 62 O GLY A 450 22.942 16.437 9.858 1.00 0.00 O ATOM 0 H GLY A 450 24.413 15.944 13.654 1.00 0.00 H new ATOM 0 HA2 GLY A 450 22.328 15.624 12.882 1.00 0.00 H new ATOM 0 HA3 GLY A 450 22.356 17.239 12.204 1.00 0.00 H new ATOM 66 N THR A 451 23.138 14.391 10.775 1.00 0.00 N ATOM 67 CA THR A 451 23.242 13.706 9.492 1.00 0.00 C ATOM 68 C THR A 451 21.878 13.219 9.017 1.00 0.00 C ATOM 69 O THR A 451 21.228 12.415 9.684 1.00 0.00 O ATOM 70 CB THR A 451 24.204 12.506 9.572 1.00 0.00 C ATOM 71 OG1 THR A 451 25.334 12.838 10.387 1.00 0.00 O ATOM 72 CG2 THR A 451 24.676 12.098 8.185 1.00 0.00 C ATOM 0 H THR A 451 23.184 13.775 11.587 1.00 0.00 H new ATOM 0 HA THR A 451 23.635 14.430 8.778 1.00 0.00 H new ATOM 0 HB THR A 451 23.668 11.668 10.018 1.00 0.00 H new ATOM 0 HG1 THR A 451 25.940 12.069 10.434 1.00 0.00 H new ATOM 0 HG21 THR A 451 25.354 11.249 8.267 1.00 0.00 H new ATOM 0 HG22 THR A 451 23.816 11.819 7.576 1.00 0.00 H new ATOM 0 HG23 THR A 451 25.196 12.934 7.717 1.00 0.00 H new ATOM 80 N GLY A 452 21.450 13.710 7.858 1.00 0.00 N ATOM 81 CA GLY A 452 20.165 13.311 7.313 1.00 0.00 C ATOM 82 C GLY A 452 20.141 11.856 6.889 1.00 0.00 C ATOM 83 O GLY A 452 21.011 11.406 6.143 1.00 0.00 O ATOM 0 H GLY A 452 21.970 14.377 7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 452 19.389 13.482 8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 452 19.927 13.940 6.455 1.00 0.00 H new ATOM 87 N GLU A 453 19.144 11.118 7.366 1.00 0.00 N ATOM 88 CA GLU A 453 19.013 9.705 7.034 1.00 0.00 C ATOM 89 C GLU A 453 17.579 9.371 6.631 1.00 0.00 C ATOM 90 O GLU A 453 16.623 9.860 7.233 1.00 0.00 O ATOM 91 CB GLU A 453 19.436 8.837 8.221 1.00 0.00 C ATOM 92 CG GLU A 453 20.928 8.552 8.266 1.00 0.00 C ATOM 93 CD GLU A 453 21.427 7.856 7.015 1.00 0.00 C ATOM 94 OE1 GLU A 453 20.587 7.348 6.243 1.00 0.00 O ATOM 95 OE2 GLU A 453 22.658 7.821 6.807 1.00 0.00 O ATOM 0 H GLU A 453 18.415 11.475 7.984 1.00 0.00 H new ATOM 0 HA GLU A 453 19.668 9.495 6.188 1.00 0.00 H new ATOM 0 HB2 GLU A 453 19.141 9.333 9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 453 18.895 7.892 8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 453 21.469 9.489 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 453 21.150 7.932 9.135 1.00 0.00 H new ATOM 102 N LYS A 454 17.438 8.534 5.608 1.00 0.00 N ATOM 103 CA LYS A 454 16.122 8.133 5.124 1.00 0.00 C ATOM 104 C LYS A 454 15.713 6.788 5.713 1.00 0.00 C ATOM 105 O LYS A 454 16.513 5.853 5.769 1.00 0.00 O ATOM 106 CB LYS A 454 16.121 8.054 3.596 1.00 0.00 C ATOM 107 CG LYS A 454 14.733 7.927 2.994 1.00 0.00 C ATOM 108 CD LYS A 454 14.107 9.288 2.743 1.00 0.00 C ATOM 109 CE LYS A 454 13.453 9.842 4.000 1.00 0.00 C ATOM 110 NZ LYS A 454 12.388 10.832 3.681 1.00 0.00 N ATOM 0 H LYS A 454 18.219 8.120 5.098 1.00 0.00 H new ATOM 0 HA LYS A 454 15.400 8.884 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 454 16.602 8.946 3.194 1.00 0.00 H new ATOM 0 HB3 LYS A 454 16.722 7.200 3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 454 14.791 7.374 2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 454 14.096 7.351 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 454 14.871 9.982 2.393 1.00 0.00 H new ATOM 0 HD3 LYS A 454 13.363 9.207 1.950 1.00 0.00 H new ATOM 0 HE2 LYS A 454 13.026 9.023 4.578 1.00 0.00 H new ATOM 0 HE3 LYS A 454 14.211 10.313 4.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 11.967 11.186 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 12.800 11.626 3.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 11.652 10.376 3.105 1.00 0.00 H new ATOM 124 N LEU A 455 14.462 6.695 6.151 1.00 0.00 N ATOM 125 CA LEU A 455 13.945 5.462 6.735 1.00 0.00 C ATOM 126 C LEU A 455 12.559 5.138 6.186 1.00 0.00 C ATOM 127 O LEU A 455 11.606 5.888 6.398 1.00 0.00 O ATOM 128 CB LEU A 455 13.887 5.582 8.259 1.00 0.00 C ATOM 129 CG LEU A 455 15.230 5.529 8.988 1.00 0.00 C ATOM 130 CD1 LEU A 455 15.881 6.904 9.008 1.00 0.00 C ATOM 131 CD2 LEU A 455 15.048 5.003 10.404 1.00 0.00 C ATOM 0 H LEU A 455 13.787 7.459 6.113 1.00 0.00 H new ATOM 0 HA LEU A 455 14.621 4.650 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 455 13.396 6.522 8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 455 13.256 4.780 8.643 1.00 0.00 H new ATOM 0 HG LEU A 455 15.887 4.846 8.450 1.00 0.00 H new ATOM 0 HD11 LEU A 455 16.836 6.847 9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 455 16.047 7.243 7.985 1.00 0.00 H new ATOM 0 HD13 LEU A 455 15.227 7.609 9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 455 16.014 4.972 10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 455 14.374 5.661 10.953 1.00 0.00 H new ATOM 0 HD23 LEU A 455 14.626 3.999 10.368 1.00 0.00 H new ATOM 143 N TYR A 456 12.455 4.017 5.482 1.00 0.00 N ATOM 144 CA TYR A 456 11.186 3.594 4.902 1.00 0.00 C ATOM 145 C TYR A 456 10.284 2.968 5.962 1.00 0.00 C ATOM 146 O TYR A 456 10.593 1.910 6.510 1.00 0.00 O ATOM 147 CB TYR A 456 11.426 2.596 3.768 1.00 0.00 C ATOM 148 CG TYR A 456 12.515 3.021 2.809 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.595 4.332 2.354 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.464 2.113 2.357 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.587 4.725 1.477 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.462 2.497 1.482 1.00 0.00 C ATOM 153 CZ TYR A 456 14.519 3.804 1.044 1.00 0.00 C ATOM 154 OH TYR A 456 15.510 4.190 0.171 1.00 0.00 O ATOM 0 H TYR A 456 13.234 3.385 5.299 1.00 0.00 H new ATOM 0 HA TYR A 456 10.688 4.477 4.501 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.687 1.628 4.196 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.498 2.459 3.213 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.869 5.056 2.692 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.421 1.088 2.696 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.633 5.747 1.132 1.00 0.00 H new ATOM 0 HE2 TYR A 456 15.193 1.778 1.143 1.00 0.00 H new ATOM 0 HH TYR A 456 16.083 3.422 -0.033 1.00 0.00 H new ATOM 164 N ASN A 457 9.167 3.630 6.245 1.00 0.00 N ATOM 165 CA ASN A 457 8.219 3.139 7.239 1.00 0.00 C ATOM 166 C ASN A 457 6.852 3.791 7.056 1.00 0.00 C ATOM 167 O ASN A 457 6.724 5.015 7.108 1.00 0.00 O ATOM 168 CB ASN A 457 8.742 3.413 8.651 1.00 0.00 C ATOM 169 CG ASN A 457 9.623 2.292 9.169 1.00 0.00 C ATOM 170 OD1 ASN A 457 9.119 1.065 9.103 1.00 0.00 O flip ATOM 171 ND2 ASN A 457 10.743 2.527 9.622 1.00 0.00 N flip ATOM 0 H ASN A 457 8.896 4.507 5.801 1.00 0.00 H new ATOM 0 HA ASN A 457 8.110 2.063 7.101 1.00 0.00 H new ATOM 0 HB2 ASN A 457 9.307 4.345 8.652 1.00 0.00 H new ATOM 0 HB3 ASN A 457 7.899 3.551 9.328 1.00 0.00 H new ATOM 0 HD21 ASN A 457 11.090 3.486 9.653 1.00 0.00 H new ATOM 0 HD22 ASN A 457 11.325 1.763 9.966 1.00 0.00 H new ATOM 178 N CYS A 458 5.833 2.966 6.841 1.00 0.00 N ATOM 179 CA CYS A 458 4.475 3.461 6.650 1.00 0.00 C ATOM 180 C CYS A 458 3.910 4.016 7.954 1.00 0.00 C ATOM 181 O CYS A 458 4.065 3.415 9.017 1.00 0.00 O ATOM 182 CB CYS A 458 3.572 2.343 6.124 1.00 0.00 C ATOM 183 SG CYS A 458 2.011 2.931 5.392 1.00 0.00 S ATOM 0 H CYS A 458 5.922 1.951 6.795 1.00 0.00 H new ATOM 0 HA CYS A 458 4.508 4.267 5.917 1.00 0.00 H new ATOM 0 HB2 CYS A 458 4.119 1.771 5.375 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.343 1.660 6.942 1.00 0.00 H new ATOM 188 N LYS A 459 3.253 5.168 7.864 1.00 0.00 N ATOM 189 CA LYS A 459 2.662 5.805 9.035 1.00 0.00 C ATOM 190 C LYS A 459 1.139 5.779 8.958 1.00 0.00 C ATOM 191 O LYS A 459 0.458 5.745 9.982 1.00 0.00 O ATOM 192 CB LYS A 459 3.153 7.249 9.157 1.00 0.00 C ATOM 193 CG LYS A 459 4.664 7.387 9.081 1.00 0.00 C ATOM 194 CD LYS A 459 5.126 8.746 9.580 1.00 0.00 C ATOM 195 CE LYS A 459 4.656 9.865 8.662 1.00 0.00 C ATOM 196 NZ LYS A 459 5.350 11.150 8.954 1.00 0.00 N ATOM 0 H LYS A 459 3.117 5.679 6.992 1.00 0.00 H new ATOM 0 HA LYS A 459 2.973 5.246 9.918 1.00 0.00 H new ATOM 0 HB2 LYS A 459 2.702 7.845 8.364 1.00 0.00 H new ATOM 0 HB3 LYS A 459 2.806 7.663 10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 459 5.132 6.602 9.675 1.00 0.00 H new ATOM 0 HG3 LYS A 459 4.992 7.246 8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 459 4.744 8.915 10.587 1.00 0.00 H new ATOM 0 HD3 LYS A 459 6.214 8.760 9.646 1.00 0.00 H new ATOM 0 HE2 LYS A 459 4.835 9.583 7.624 1.00 0.00 H new ATOM 0 HE3 LYS A 459 3.580 9.999 8.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 5.002 11.887 8.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 5.159 11.433 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 6.374 11.029 8.822 1.00 0.00 H new ATOM 210 N GLU A 460 0.612 5.795 7.738 1.00 0.00 N ATOM 211 CA GLU A 460 -0.831 5.773 7.529 1.00 0.00 C ATOM 212 C GLU A 460 -1.468 4.595 8.260 1.00 0.00 C ATOM 213 O GLU A 460 -2.377 4.771 9.072 1.00 0.00 O ATOM 214 CB GLU A 460 -1.151 5.693 6.035 1.00 0.00 C ATOM 215 CG GLU A 460 -0.657 6.891 5.242 1.00 0.00 C ATOM 216 CD GLU A 460 -1.616 8.064 5.298 1.00 0.00 C ATOM 217 OE1 GLU A 460 -2.705 7.970 4.694 1.00 0.00 O ATOM 218 OE2 GLU A 460 -1.277 9.076 5.946 1.00 0.00 O ATOM 0 H GLU A 460 1.162 5.823 6.880 1.00 0.00 H new ATOM 0 HA GLU A 460 -1.245 6.697 7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.705 4.787 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -2.230 5.603 5.907 1.00 0.00 H new ATOM 0 HG2 GLU A 460 0.314 7.202 5.628 1.00 0.00 H new ATOM 0 HG3 GLU A 460 -0.508 6.598 4.203 1.00 0.00 H new ATOM 225 N CYS A 461 -0.985 3.392 7.966 1.00 0.00 N ATOM 226 CA CYS A 461 -1.507 2.184 8.594 1.00 0.00 C ATOM 227 C CYS A 461 -0.578 1.703 9.705 1.00 0.00 C ATOM 228 O CYS A 461 -1.009 1.038 10.645 1.00 0.00 O ATOM 229 CB CYS A 461 -1.686 1.079 7.551 1.00 0.00 C ATOM 230 SG CYS A 461 -0.122 0.427 6.881 1.00 0.00 S ATOM 0 H CYS A 461 -0.233 3.228 7.297 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.476 2.422 9.032 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.247 0.259 7.999 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.288 1.465 6.728 1.00 0.00 H new ATOM 235 N GLY A 462 0.702 2.046 9.589 1.00 0.00 N ATOM 236 CA GLY A 462 1.672 1.642 10.590 1.00 0.00 C ATOM 237 C GLY A 462 2.124 0.206 10.412 1.00 0.00 C ATOM 238 O GLY A 462 1.982 -0.614 11.319 1.00 0.00 O ATOM 0 H GLY A 462 1.084 2.596 8.820 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.538 2.301 10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 462 1.237 1.763 11.582 1.00 0.00 H new ATOM 242 N LYS A 463 2.668 -0.101 9.239 1.00 0.00 N ATOM 243 CA LYS A 463 3.142 -1.447 8.944 1.00 0.00 C ATOM 244 C LYS A 463 4.503 -1.407 8.255 1.00 0.00 C ATOM 245 O LYS A 463 4.649 -0.816 7.185 1.00 0.00 O ATOM 246 CB LYS A 463 2.133 -2.184 8.060 1.00 0.00 C ATOM 247 CG LYS A 463 0.802 -2.443 8.744 1.00 0.00 C ATOM 248 CD LYS A 463 -0.196 -3.087 7.795 1.00 0.00 C ATOM 249 CE LYS A 463 -1.565 -3.232 8.441 1.00 0.00 C ATOM 250 NZ LYS A 463 -1.598 -4.346 9.429 1.00 0.00 N ATOM 0 H LYS A 463 2.791 0.565 8.477 1.00 0.00 H new ATOM 0 HA LYS A 463 3.248 -1.982 9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.960 -1.600 7.156 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.563 -3.136 7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 463 0.955 -3.091 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.395 -1.504 9.119 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -0.281 -2.484 6.891 1.00 0.00 H new ATOM 0 HD3 LYS A 463 0.170 -4.068 7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -1.833 -2.299 8.937 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -2.314 -3.409 7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -2.548 -4.412 9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -1.367 -5.241 8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -0.902 -4.165 10.180 1.00 0.00 H new ATOM 264 N SER A 464 5.494 -2.038 8.875 1.00 0.00 N ATOM 265 CA SER A 464 6.843 -2.072 8.322 1.00 0.00 C ATOM 266 C SER A 464 7.041 -3.305 7.446 1.00 0.00 C ATOM 267 O SER A 464 7.112 -4.429 7.944 1.00 0.00 O ATOM 268 CB SER A 464 7.879 -2.061 9.448 1.00 0.00 C ATOM 269 OG SER A 464 9.112 -2.605 9.012 1.00 0.00 O ATOM 0 H SER A 464 5.389 -2.533 9.761 1.00 0.00 H new ATOM 0 HA SER A 464 6.978 -1.184 7.705 1.00 0.00 H new ATOM 0 HB2 SER A 464 8.032 -1.039 9.796 1.00 0.00 H new ATOM 0 HB3 SER A 464 7.505 -2.634 10.296 1.00 0.00 H new ATOM 0 HG SER A 464 9.757 -2.585 9.749 1.00 0.00 H new ATOM 275 N PHE A 465 7.129 -3.086 6.138 1.00 0.00 N ATOM 276 CA PHE A 465 7.317 -4.179 5.191 1.00 0.00 C ATOM 277 C PHE A 465 8.768 -4.652 5.188 1.00 0.00 C ATOM 278 O PHE A 465 9.685 -3.878 5.462 1.00 0.00 O ATOM 279 CB PHE A 465 6.909 -3.739 3.784 1.00 0.00 C ATOM 280 CG PHE A 465 5.422 -3.671 3.585 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.649 -2.797 4.333 1.00 0.00 C ATOM 282 CD2 PHE A 465 4.797 -4.480 2.650 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.280 -2.733 4.152 1.00 0.00 C ATOM 284 CE2 PHE A 465 3.429 -4.420 2.464 1.00 0.00 C ATOM 285 CZ PHE A 465 2.669 -3.544 3.216 1.00 0.00 C ATOM 0 H PHE A 465 7.073 -2.162 5.710 1.00 0.00 H new ATOM 0 HA PHE A 465 6.683 -5.009 5.502 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.340 -2.759 3.579 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.333 -4.432 3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.121 -2.159 5.065 1.00 0.00 H new ATOM 0 HD2 PHE A 465 5.386 -5.166 2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.688 -2.049 4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 465 2.954 -5.057 1.732 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.600 -3.494 3.072 1.00 0.00 H new ATOM 295 N SER A 466 8.967 -5.929 4.877 1.00 0.00 N ATOM 296 CA SER A 466 10.306 -6.507 4.842 1.00 0.00 C ATOM 297 C SER A 466 11.128 -5.904 3.707 1.00 0.00 C ATOM 298 O SER A 466 12.214 -5.367 3.930 1.00 0.00 O ATOM 299 CB SER A 466 10.224 -8.025 4.676 1.00 0.00 C ATOM 300 OG SER A 466 11.505 -8.620 4.786 1.00 0.00 O ATOM 0 H SER A 466 8.219 -6.583 4.646 1.00 0.00 H new ATOM 0 HA SER A 466 10.799 -6.278 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 466 9.560 -8.441 5.433 1.00 0.00 H new ATOM 0 HB3 SER A 466 9.790 -8.265 3.705 1.00 0.00 H new ATOM 0 HG SER A 466 11.425 -9.591 4.678 1.00 0.00 H new ATOM 306 N ARG A 467 10.603 -5.996 2.490 1.00 0.00 N ATOM 307 CA ARG A 467 11.288 -5.461 1.320 1.00 0.00 C ATOM 308 C ARG A 467 11.209 -3.937 1.293 1.00 0.00 C ATOM 309 O ARG A 467 10.123 -3.364 1.213 1.00 0.00 O ATOM 310 CB ARG A 467 10.681 -6.037 0.039 1.00 0.00 C ATOM 311 CG ARG A 467 11.111 -7.466 -0.250 1.00 0.00 C ATOM 312 CD ARG A 467 12.392 -7.508 -1.068 1.00 0.00 C ATOM 313 NE ARG A 467 12.460 -8.692 -1.919 1.00 0.00 N ATOM 314 CZ ARG A 467 13.559 -9.076 -2.558 1.00 0.00 C ATOM 315 NH1 ARG A 467 14.677 -8.374 -2.441 1.00 0.00 N ATOM 316 NH2 ARG A 467 13.542 -10.166 -3.315 1.00 0.00 N ATOM 0 H ARG A 467 9.705 -6.436 2.288 1.00 0.00 H new ATOM 0 HA ARG A 467 12.337 -5.752 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 467 9.594 -6.002 0.114 1.00 0.00 H new ATOM 0 HB3 ARG A 467 10.963 -5.404 -0.803 1.00 0.00 H new ATOM 0 HG2 ARG A 467 11.260 -7.999 0.689 1.00 0.00 H new ATOM 0 HG3 ARG A 467 10.317 -7.984 -0.788 1.00 0.00 H new ATOM 0 HD2 ARG A 467 12.456 -6.613 -1.687 1.00 0.00 H new ATOM 0 HD3 ARG A 467 13.251 -7.494 -0.397 1.00 0.00 H new ATOM 0 HE ARG A 467 11.617 -9.255 -2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 467 14.695 -7.537 -1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 467 15.520 -8.671 -2.933 1.00 0.00 H new ATOM 0 HH21 ARG A 467 12.684 -10.710 -3.407 1.00 0.00 H new ATOM 0 HH22 ARG A 467 14.387 -10.460 -3.805 1.00 0.00 H new ATOM 330 N ALA A 468 12.367 -3.289 1.360 1.00 0.00 N ATOM 331 CA ALA A 468 12.429 -1.832 1.341 1.00 0.00 C ATOM 332 C ALA A 468 11.719 -1.268 0.115 1.00 0.00 C ATOM 333 O ALA A 468 10.820 -0.434 0.218 1.00 0.00 O ATOM 334 CB ALA A 468 13.877 -1.365 1.377 1.00 0.00 C ATOM 0 H ALA A 468 13.275 -3.749 1.428 1.00 0.00 H new ATOM 0 HA ALA A 468 11.917 -1.459 2.228 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.908 -0.276 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.354 -1.730 2.287 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.407 -1.755 0.508 1.00 0.00 H new ATOM 340 N PRO A 469 12.131 -1.732 -1.074 1.00 0.00 N ATOM 341 CA PRO A 469 11.548 -1.287 -2.343 1.00 0.00 C ATOM 342 C PRO A 469 10.024 -1.309 -2.320 1.00 0.00 C ATOM 343 O PRO A 469 9.375 -0.297 -2.586 1.00 0.00 O ATOM 344 CB PRO A 469 12.082 -2.304 -3.355 1.00 0.00 C ATOM 345 CG PRO A 469 13.352 -2.802 -2.757 1.00 0.00 C ATOM 346 CD PRO A 469 13.198 -2.728 -1.271 1.00 0.00 C ATOM 0 HA PRO A 469 11.814 -0.255 -2.574 1.00 0.00 H new ATOM 0 HB2 PRO A 469 11.373 -3.117 -3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 469 12.256 -1.842 -4.327 1.00 0.00 H new ATOM 0 HG2 PRO A 469 13.551 -3.826 -3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 469 14.196 -2.197 -3.087 1.00 0.00 H new ATOM 0 HD2 PRO A 469 12.924 -3.695 -0.849 1.00 0.00 H new ATOM 0 HD3 PRO A 469 14.126 -2.420 -0.788 1.00 0.00 H new ATOM 354 N CYS A 470 9.458 -2.467 -1.999 1.00 0.00 N ATOM 355 CA CYS A 470 8.009 -2.621 -1.941 1.00 0.00 C ATOM 356 C CYS A 470 7.393 -1.611 -0.979 1.00 0.00 C ATOM 357 O CYS A 470 6.384 -0.976 -1.289 1.00 0.00 O ATOM 358 CB CYS A 470 7.642 -4.042 -1.511 1.00 0.00 C ATOM 359 SG CYS A 470 8.014 -5.307 -2.749 1.00 0.00 S ATOM 0 H CYS A 470 9.981 -3.314 -1.775 1.00 0.00 H new ATOM 0 HA CYS A 470 7.609 -2.437 -2.938 1.00 0.00 H new ATOM 0 HB2 CYS A 470 8.176 -4.281 -0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 470 6.577 -4.077 -1.280 1.00 0.00 H new ATOM 0 HG CYS A 470 7.671 -6.475 -2.293 1.00 0.00 H new ATOM 365 N LEU A 471 8.005 -1.468 0.192 1.00 0.00 N ATOM 366 CA LEU A 471 7.517 -0.535 1.202 1.00 0.00 C ATOM 367 C LEU A 471 7.335 0.860 0.613 1.00 0.00 C ATOM 368 O LEU A 471 6.297 1.495 0.802 1.00 0.00 O ATOM 369 CB LEU A 471 8.486 -0.480 2.384 1.00 0.00 C ATOM 370 CG LEU A 471 8.039 0.363 3.579 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.646 -0.047 4.030 1.00 0.00 C ATOM 372 CD2 LEU A 471 9.032 0.233 4.725 1.00 0.00 C ATOM 0 H LEU A 471 8.840 -1.986 0.465 1.00 0.00 H new ATOM 0 HA LEU A 471 6.548 -0.890 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.664 -1.498 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.440 -0.092 2.028 1.00 0.00 H new ATOM 0 HG LEU A 471 8.006 1.408 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.345 0.564 4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 471 5.941 0.098 3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.652 -1.097 4.321 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.698 0.840 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 471 9.097 -0.810 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 471 10.013 0.577 4.397 1.00 0.00 H new ATOM 384 N LEU A 472 8.350 1.331 -0.103 1.00 0.00 N ATOM 385 CA LEU A 472 8.302 2.651 -0.723 1.00 0.00 C ATOM 386 C LEU A 472 7.049 2.805 -1.579 1.00 0.00 C ATOM 387 O LEU A 472 6.460 3.884 -1.648 1.00 0.00 O ATOM 388 CB LEU A 472 9.549 2.880 -1.579 1.00 0.00 C ATOM 389 CG LEU A 472 10.823 3.258 -0.821 1.00 0.00 C ATOM 390 CD1 LEU A 472 12.046 2.664 -1.503 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.951 4.771 -0.716 1.00 0.00 C ATOM 0 H LEU A 472 9.216 0.819 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 472 8.272 3.397 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.745 1.972 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.331 3.669 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 472 10.759 2.847 0.187 1.00 0.00 H new ATOM 0 HD11 LEU A 472 12.943 2.943 -0.950 1.00 0.00 H new ATOM 0 HD12 LEU A 472 11.958 1.578 -1.527 1.00 0.00 H new ATOM 0 HD13 LEU A 472 12.115 3.045 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.863 5.022 -0.174 1.00 0.00 H new ATOM 0 HD22 LEU A 472 10.993 5.203 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 472 10.089 5.173 -0.183 1.00 0.00 H new ATOM 403 N LYS A 473 6.645 1.719 -2.228 1.00 0.00 N ATOM 404 CA LYS A 473 5.459 1.731 -3.077 1.00 0.00 C ATOM 405 C LYS A 473 4.188 1.637 -2.238 1.00 0.00 C ATOM 406 O LYS A 473 3.164 2.230 -2.576 1.00 0.00 O ATOM 407 CB LYS A 473 5.510 0.573 -4.076 1.00 0.00 C ATOM 408 CG LYS A 473 6.418 0.836 -5.265 1.00 0.00 C ATOM 409 CD LYS A 473 7.844 0.389 -4.988 1.00 0.00 C ATOM 410 CE LYS A 473 8.563 -0.005 -6.269 1.00 0.00 C ATOM 411 NZ LYS A 473 9.045 1.185 -7.023 1.00 0.00 N ATOM 0 H LYS A 473 7.122 0.818 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 473 5.444 2.674 -3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.850 -0.325 -3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.502 0.371 -4.437 1.00 0.00 H new ATOM 0 HG2 LYS A 473 6.035 0.311 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 473 6.409 1.900 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 473 8.390 1.194 -4.496 1.00 0.00 H new ATOM 0 HD3 LYS A 473 7.834 -0.456 -4.300 1.00 0.00 H new ATOM 0 HE2 LYS A 473 9.409 -0.649 -6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 473 7.890 -0.586 -6.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 9.529 0.874 -7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 8.236 1.787 -7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 9.707 1.726 -6.431 1.00 0.00 H new ATOM 425 N HIS A 474 4.262 0.888 -1.142 1.00 0.00 N ATOM 426 CA HIS A 474 3.118 0.718 -0.254 1.00 0.00 C ATOM 427 C HIS A 474 2.674 2.059 0.323 1.00 0.00 C ATOM 428 O HIS A 474 1.480 2.319 0.466 1.00 0.00 O ATOM 429 CB HIS A 474 3.464 -0.248 0.880 1.00 0.00 C ATOM 430 CG HIS A 474 2.394 -0.358 1.921 1.00 0.00 C ATOM 431 ND1 HIS A 474 1.256 -1.119 1.754 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.293 0.201 3.150 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.501 -1.022 2.833 1.00 0.00 C ATOM 434 NE2 HIS A 474 1.108 -0.227 3.696 1.00 0.00 N ATOM 0 H HIS A 474 5.102 0.390 -0.848 1.00 0.00 H new ATOM 0 HA HIS A 474 2.296 0.303 -0.837 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.653 -1.236 0.460 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.389 0.079 1.355 1.00 0.00 H new ATOM 0 HD1 HIS A 474 1.032 -1.671 0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 474 3.011 0.861 3.614 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.451 -1.510 2.984 1.00 0.00 H new ATOM 442 N GLU A 475 3.644 2.906 0.654 1.00 0.00 N ATOM 443 CA GLU A 475 3.352 4.219 1.216 1.00 0.00 C ATOM 444 C GLU A 475 2.592 5.084 0.214 1.00 0.00 C ATOM 445 O GLU A 475 1.742 5.890 0.593 1.00 0.00 O ATOM 446 CB GLU A 475 4.647 4.920 1.632 1.00 0.00 C ATOM 447 CG GLU A 475 5.393 4.208 2.749 1.00 0.00 C ATOM 448 CD GLU A 475 6.287 5.142 3.541 1.00 0.00 C ATOM 449 OE1 GLU A 475 5.756 5.920 4.361 1.00 0.00 O ATOM 450 OE2 GLU A 475 7.519 5.094 3.341 1.00 0.00 O ATOM 0 H GLU A 475 4.638 2.706 0.543 1.00 0.00 H new ATOM 0 HA GLU A 475 2.725 4.077 2.096 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.301 5.001 0.764 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.414 5.936 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.673 3.742 3.422 1.00 0.00 H new ATOM 0 HG3 GLU A 475 5.997 3.406 2.324 1.00 0.00 H new ATOM 457 N ARG A 476 2.906 4.910 -1.065 1.00 0.00 N ATOM 458 CA ARG A 476 2.255 5.675 -2.122 1.00 0.00 C ATOM 459 C ARG A 476 0.899 5.071 -2.474 1.00 0.00 C ATOM 460 O ARG A 476 -0.046 5.789 -2.805 1.00 0.00 O ATOM 461 CB ARG A 476 3.143 5.723 -3.367 1.00 0.00 C ATOM 462 CG ARG A 476 4.505 6.349 -3.120 1.00 0.00 C ATOM 463 CD ARG A 476 5.130 6.851 -4.413 1.00 0.00 C ATOM 464 NE ARG A 476 6.141 7.877 -4.170 1.00 0.00 N ATOM 465 CZ ARG A 476 7.329 7.625 -3.632 1.00 0.00 C ATOM 466 NH1 ARG A 476 7.654 6.388 -3.283 1.00 0.00 N ATOM 467 NH2 ARG A 476 8.195 8.612 -3.442 1.00 0.00 N ATOM 0 H ARG A 476 3.607 4.246 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 476 2.097 6.690 -1.757 1.00 0.00 H new ATOM 0 HB2 ARG A 476 3.281 4.709 -3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.630 6.286 -4.147 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.404 7.177 -2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 476 5.165 5.616 -2.656 1.00 0.00 H new ATOM 0 HD2 ARG A 476 5.583 6.015 -4.945 1.00 0.00 H new ATOM 0 HD3 ARG A 476 4.351 7.256 -5.059 1.00 0.00 H new ATOM 0 HE ARG A 476 5.923 8.840 -4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 476 6.991 5.626 -3.427 1.00 0.00 H new ATOM 0 HH12 ARG A 476 8.567 6.198 -2.870 1.00 0.00 H new ATOM 0 HH21 ARG A 476 7.949 9.565 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 476 9.107 8.418 -3.029 1.00 0.00 H new ATOM 481 N LEU A 477 0.809 3.748 -2.401 1.00 0.00 N ATOM 482 CA LEU A 477 -0.431 3.046 -2.712 1.00 0.00 C ATOM 483 C LEU A 477 -1.585 3.582 -1.871 1.00 0.00 C ATOM 484 O LEU A 477 -2.732 3.610 -2.318 1.00 0.00 O ATOM 485 CB LEU A 477 -0.265 1.545 -2.473 1.00 0.00 C ATOM 486 CG LEU A 477 0.496 0.773 -3.552 1.00 0.00 C ATOM 487 CD1 LEU A 477 0.980 -0.563 -3.011 1.00 0.00 C ATOM 488 CD2 LEU A 477 -0.380 0.569 -4.779 1.00 0.00 C ATOM 0 H LEU A 477 1.581 3.139 -2.129 1.00 0.00 H new ATOM 0 HA LEU A 477 -0.662 3.216 -3.764 1.00 0.00 H new ATOM 0 HB2 LEU A 477 0.249 1.404 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -1.256 1.102 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 477 1.367 1.359 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 477 1.519 -1.098 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 477 1.644 -0.393 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 477 0.124 -1.157 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 477 0.177 0.018 -5.537 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.270 0.004 -4.501 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.676 1.538 -5.180 1.00 0.00 H new ATOM 500 N HIS A 478 -1.274 4.009 -0.651 1.00 0.00 N ATOM 501 CA HIS A 478 -2.285 4.547 0.252 1.00 0.00 C ATOM 502 C HIS A 478 -2.959 5.773 -0.356 1.00 0.00 C ATOM 503 O HIS A 478 -4.132 5.727 -0.729 1.00 0.00 O ATOM 504 CB HIS A 478 -1.655 4.911 1.597 1.00 0.00 C ATOM 505 CG HIS A 478 -1.571 3.760 2.551 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.637 3.338 3.317 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.540 2.939 2.859 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.265 2.308 4.057 1.00 0.00 C ATOM 509 NE2 HIS A 478 -0.996 2.046 3.797 1.00 0.00 N ATOM 0 H HIS A 478 -0.330 3.993 -0.265 1.00 0.00 H new ATOM 0 HA HIS A 478 -3.042 3.779 0.410 1.00 0.00 H new ATOM 0 HB2 HIS A 478 -0.653 5.303 1.425 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -2.236 5.711 2.056 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.568 3.756 3.313 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.456 2.979 2.444 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -2.891 1.772 4.755 1.00 0.00 H new ATOM 517 N SER A 479 -2.212 6.867 -0.452 1.00 0.00 N ATOM 518 CA SER A 479 -2.739 8.107 -1.011 1.00 0.00 C ATOM 519 C SER A 479 -3.276 7.882 -2.421 1.00 0.00 C ATOM 520 O SER A 479 -2.873 6.945 -3.109 1.00 0.00 O ATOM 521 CB SER A 479 -1.653 9.184 -1.033 1.00 0.00 C ATOM 522 OG SER A 479 -0.759 8.985 -2.115 1.00 0.00 O ATOM 0 H SER A 479 -1.239 6.921 -0.150 1.00 0.00 H new ATOM 0 HA SER A 479 -3.560 8.442 -0.377 1.00 0.00 H new ATOM 0 HB2 SER A 479 -2.114 10.168 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 479 -1.101 9.167 -0.093 1.00 0.00 H new ATOM 0 HG SER A 479 -0.596 8.026 -2.232 1.00 0.00 H new ATOM 528 N GLY A 480 -4.191 8.749 -2.844 1.00 0.00 N ATOM 529 CA GLY A 480 -4.771 8.628 -4.169 1.00 0.00 C ATOM 530 C GLY A 480 -3.824 9.088 -5.260 1.00 0.00 C ATOM 531 O GLY A 480 -3.302 10.202 -5.208 1.00 0.00 O ATOM 0 H GLY A 480 -4.541 9.533 -2.293 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -5.049 7.589 -4.347 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -5.688 9.216 -4.216 1.00 0.00 H new ATOM 535 N GLU A 481 -3.600 8.229 -6.249 1.00 0.00 N ATOM 536 CA GLU A 481 -2.707 8.554 -7.355 1.00 0.00 C ATOM 537 C GLU A 481 -3.392 8.311 -8.697 1.00 0.00 C ATOM 538 O GLU A 481 -2.739 7.999 -9.693 1.00 0.00 O ATOM 539 CB GLU A 481 -1.426 7.723 -7.266 1.00 0.00 C ATOM 540 CG GLU A 481 -1.673 6.255 -6.962 1.00 0.00 C ATOM 541 CD GLU A 481 -0.446 5.396 -7.198 1.00 0.00 C ATOM 542 OE1 GLU A 481 0.106 5.445 -8.318 1.00 0.00 O ATOM 543 OE2 GLU A 481 -0.037 4.674 -6.265 1.00 0.00 O ATOM 0 H GLU A 481 -4.024 7.303 -6.307 1.00 0.00 H new ATOM 0 HA GLU A 481 -2.451 9.611 -7.283 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -0.884 7.804 -8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -0.784 8.143 -6.492 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -1.991 6.151 -5.924 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -2.491 5.892 -7.584 1.00 0.00 H new ATOM 550 N LYS A 482 -4.713 8.454 -8.715 1.00 0.00 N ATOM 551 CA LYS A 482 -5.489 8.252 -9.933 1.00 0.00 C ATOM 552 C LYS A 482 -6.549 9.337 -10.090 1.00 0.00 C ATOM 553 O LYS A 482 -6.923 10.016 -9.134 1.00 0.00 O ATOM 554 CB LYS A 482 -6.154 6.873 -9.915 1.00 0.00 C ATOM 555 CG LYS A 482 -5.291 5.774 -10.510 1.00 0.00 C ATOM 556 CD LYS A 482 -5.649 4.413 -9.937 1.00 0.00 C ATOM 557 CE LYS A 482 -6.904 3.848 -10.583 1.00 0.00 C ATOM 558 NZ LYS A 482 -6.633 3.316 -11.948 1.00 0.00 N ATOM 0 H LYS A 482 -5.269 8.709 -7.899 1.00 0.00 H new ATOM 0 HA LYS A 482 -4.808 8.310 -10.782 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -6.402 6.612 -8.886 1.00 0.00 H new ATOM 0 HB3 LYS A 482 -7.093 6.924 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -5.415 5.758 -11.593 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -4.241 5.988 -10.313 1.00 0.00 H new ATOM 0 HD2 LYS A 482 -4.819 3.723 -10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -5.800 4.499 -8.861 1.00 0.00 H new ATOM 0 HE2 LYS A 482 -7.308 3.053 -9.957 1.00 0.00 H new ATOM 0 HE3 LYS A 482 -7.665 4.626 -10.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 -7.487 2.849 -12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 -6.368 4.099 -12.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 -5.854 2.628 -11.904 1.00 0.00 H new ATOM 572 N PRO A 483 -7.046 9.505 -11.324 1.00 0.00 N ATOM 573 CA PRO A 483 -8.072 10.506 -11.635 1.00 0.00 C ATOM 574 C PRO A 483 -9.427 10.154 -11.030 1.00 0.00 C ATOM 575 O PRO A 483 -10.262 11.030 -10.803 1.00 0.00 O ATOM 576 CB PRO A 483 -8.144 10.477 -13.163 1.00 0.00 C ATOM 577 CG PRO A 483 -7.676 9.113 -13.539 1.00 0.00 C ATOM 578 CD PRO A 483 -6.647 8.731 -12.512 1.00 0.00 C ATOM 0 HA PRO A 483 -7.824 11.485 -11.225 1.00 0.00 H new ATOM 0 HB2 PRO A 483 -9.160 10.658 -13.515 1.00 0.00 H new ATOM 0 HB3 PRO A 483 -7.512 11.248 -13.604 1.00 0.00 H new ATOM 0 HG2 PRO A 483 -8.504 8.404 -13.544 1.00 0.00 H new ATOM 0 HG3 PRO A 483 -7.247 9.110 -14.541 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -6.655 7.659 -12.314 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -5.639 8.987 -12.839 1.00 0.00 H new ATOM 586 N SER A 484 -9.638 8.868 -10.771 1.00 0.00 N ATOM 587 CA SER A 484 -10.894 8.400 -10.196 1.00 0.00 C ATOM 588 C SER A 484 -10.995 8.789 -8.724 1.00 0.00 C ATOM 589 O SER A 484 -12.075 9.103 -8.226 1.00 0.00 O ATOM 590 CB SER A 484 -11.013 6.882 -10.343 1.00 0.00 C ATOM 591 OG SER A 484 -9.895 6.225 -9.772 1.00 0.00 O ATOM 0 H SER A 484 -8.956 8.131 -10.950 1.00 0.00 H new ATOM 0 HA SER A 484 -11.712 8.875 -10.737 1.00 0.00 H new ATOM 0 HB2 SER A 484 -11.927 6.537 -9.860 1.00 0.00 H new ATOM 0 HB3 SER A 484 -11.092 6.621 -11.398 1.00 0.00 H new ATOM 0 HG SER A 484 -9.996 5.256 -9.877 1.00 0.00 H new ATOM 597 N GLY A 485 -9.859 8.765 -8.033 1.00 0.00 N ATOM 598 CA GLY A 485 -9.840 9.116 -6.625 1.00 0.00 C ATOM 599 C GLY A 485 -10.390 8.012 -5.744 1.00 0.00 C ATOM 600 O GLY A 485 -10.883 6.992 -6.226 1.00 0.00 O ATOM 0 H GLY A 485 -8.952 8.509 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -8.817 9.341 -6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -10.424 10.023 -6.472 1.00 0.00 H new ATOM 604 N PRO A 486 -10.309 8.210 -4.420 1.00 0.00 N ATOM 605 CA PRO A 486 -10.797 7.232 -3.442 1.00 0.00 C ATOM 606 C PRO A 486 -12.318 7.133 -3.432 1.00 0.00 C ATOM 607 O PRO A 486 -12.880 6.111 -3.037 1.00 0.00 O ATOM 608 CB PRO A 486 -10.288 7.782 -2.107 1.00 0.00 C ATOM 609 CG PRO A 486 -10.134 9.246 -2.334 1.00 0.00 C ATOM 610 CD PRO A 486 -9.734 9.402 -3.775 1.00 0.00 C ATOM 0 HA PRO A 486 -10.448 6.224 -3.664 1.00 0.00 H new ATOM 0 HB2 PRO A 486 -10.993 7.578 -1.301 1.00 0.00 H new ATOM 0 HB3 PRO A 486 -9.340 7.323 -1.825 1.00 0.00 H new ATOM 0 HG2 PRO A 486 -11.066 9.773 -2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 486 -9.377 9.666 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 486 -10.130 10.322 -4.205 1.00 0.00 H new ATOM 0 HD3 PRO A 486 -8.651 9.438 -3.890 1.00 0.00 H new ATOM 618 N SER A 487 -12.980 8.199 -3.870 1.00 0.00 N ATOM 619 CA SER A 487 -14.437 8.233 -3.907 1.00 0.00 C ATOM 620 C SER A 487 -14.956 7.762 -5.263 1.00 0.00 C ATOM 621 O SER A 487 -15.021 8.536 -6.218 1.00 0.00 O ATOM 622 CB SER A 487 -14.943 9.647 -3.618 1.00 0.00 C ATOM 623 OG SER A 487 -14.371 10.160 -2.427 1.00 0.00 O ATOM 0 H SER A 487 -12.530 9.051 -4.204 1.00 0.00 H new ATOM 0 HA SER A 487 -14.812 7.557 -3.138 1.00 0.00 H new ATOM 0 HB2 SER A 487 -14.698 10.302 -4.454 1.00 0.00 H new ATOM 0 HB3 SER A 487 -16.029 9.637 -3.528 1.00 0.00 H new ATOM 0 HG SER A 487 -14.709 11.066 -2.265 1.00 0.00 H new ATOM 629 N SER A 488 -15.324 6.487 -5.338 1.00 0.00 N ATOM 630 CA SER A 488 -15.834 5.911 -6.577 1.00 0.00 C ATOM 631 C SER A 488 -17.329 6.179 -6.726 1.00 0.00 C ATOM 632 O SER A 488 -17.961 6.745 -5.836 1.00 0.00 O ATOM 633 CB SER A 488 -15.569 4.405 -6.610 1.00 0.00 C ATOM 634 OG SER A 488 -16.133 3.762 -5.480 1.00 0.00 O ATOM 0 H SER A 488 -15.279 5.834 -4.556 1.00 0.00 H new ATOM 0 HA SER A 488 -15.313 6.383 -7.410 1.00 0.00 H new ATOM 0 HB2 SER A 488 -15.988 3.979 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 488 -14.495 4.222 -6.638 1.00 0.00 H new ATOM 0 HG SER A 488 -15.951 2.800 -5.526 1.00 0.00 H new ATOM 640 N GLY A 489 -17.887 5.768 -7.861 1.00 0.00 N ATOM 641 CA GLY A 489 -19.303 5.972 -8.107 1.00 0.00 C ATOM 642 C GLY A 489 -19.989 4.720 -8.616 1.00 0.00 C ATOM 643 O GLY A 489 -19.911 4.437 -9.810 1.00 0.00 O ATOM 0 H GLY A 489 -17.384 5.298 -8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 489 -19.785 6.298 -7.186 1.00 0.00 H new ATOM 0 HA3 GLY A 489 -19.430 6.774 -8.834 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.499 1.242 4.858 1.00 0.00 ZN