USER MOD reduce.3.24.130724 H: found=0, std=0, add=316, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 317 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 474 HIS HE2 : A 474 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 478 HIS HE2 : A 478 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 456 TYR OH : rot 180:sc= 0 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= 0.0504 USER MOD Single : A 451 THR OG1 : rot 180:sc= -0.0894 USER MOD Single : A 457 ASN : amide:sc= -0.0634 K(o=-0.063,f=-1.4) USER MOD Single : A 459 LYS NZ :NH3+ -154:sc= -0.135 (180deg=-0.74) 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= -0.0308 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 479 SER OG : rot 180:sc= -0.0488 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 19.556 34.203 25.384 1.00 0.00 N ATOM 2 CA GLY A 444 20.769 33.539 24.943 1.00 0.00 C ATOM 3 C GLY A 444 20.682 33.070 23.504 1.00 0.00 C ATOM 4 O GLY A 444 19.597 33.021 22.924 1.00 0.00 O ATOM 0 HA2 GLY A 444 21.612 34.221 25.049 1.00 0.00 H new ATOM 0 HA3 GLY A 444 20.967 32.684 25.589 1.00 0.00 H new ATOM 8 N SER A 445 21.827 32.725 22.925 1.00 0.00 N ATOM 9 CA SER A 445 21.877 32.263 21.543 1.00 0.00 C ATOM 10 C SER A 445 22.212 30.776 21.479 1.00 0.00 C ATOM 11 O SER A 445 23.360 30.378 21.675 1.00 0.00 O ATOM 12 CB SER A 445 22.912 33.066 20.752 1.00 0.00 C ATOM 13 OG SER A 445 22.819 34.449 21.046 1.00 0.00 O ATOM 0 H SER A 445 22.733 32.757 23.392 1.00 0.00 H new ATOM 0 HA SER A 445 20.893 32.415 21.099 1.00 0.00 H new ATOM 0 HB2 SER A 445 23.914 32.707 20.989 1.00 0.00 H new ATOM 0 HB3 SER A 445 22.761 32.907 19.684 1.00 0.00 H new ATOM 0 HG SER A 445 23.492 34.939 20.529 1.00 0.00 H new ATOM 19 N SER A 446 21.200 29.960 21.203 1.00 0.00 N ATOM 20 CA SER A 446 21.385 28.516 21.117 1.00 0.00 C ATOM 21 C SER A 446 20.930 27.990 19.759 1.00 0.00 C ATOM 22 O SER A 446 20.196 28.662 19.035 1.00 0.00 O ATOM 23 CB SER A 446 20.611 27.813 22.234 1.00 0.00 C ATOM 24 OG SER A 446 19.274 28.278 22.299 1.00 0.00 O ATOM 0 H SER A 446 20.244 30.274 21.035 1.00 0.00 H new ATOM 0 HA SER A 446 22.448 28.304 21.232 1.00 0.00 H new ATOM 0 HB2 SER A 446 20.617 26.737 22.063 1.00 0.00 H new ATOM 0 HB3 SER A 446 21.107 27.987 23.189 1.00 0.00 H new ATOM 0 HG SER A 446 18.800 27.812 23.019 1.00 0.00 H new ATOM 30 N GLY A 447 21.372 26.783 19.420 1.00 0.00 N ATOM 31 CA GLY A 447 21.000 26.186 18.150 1.00 0.00 C ATOM 32 C GLY A 447 21.262 24.694 18.112 1.00 0.00 C ATOM 33 O GLY A 447 22.411 24.257 18.170 1.00 0.00 O ATOM 0 H GLY A 447 21.981 26.208 20.002 1.00 0.00 H new ATOM 0 HA2 GLY A 447 19.943 26.371 17.961 1.00 0.00 H new ATOM 0 HA3 GLY A 447 21.557 26.670 17.348 1.00 0.00 H new ATOM 37 N SER A 448 20.193 23.909 18.016 1.00 0.00 N ATOM 38 CA SER A 448 20.313 22.456 17.976 1.00 0.00 C ATOM 39 C SER A 448 20.356 21.954 16.536 1.00 0.00 C ATOM 40 O SER A 448 19.546 21.121 16.133 1.00 0.00 O ATOM 41 CB SER A 448 19.144 21.807 18.719 1.00 0.00 C ATOM 42 OG SER A 448 19.122 22.201 20.080 1.00 0.00 O ATOM 0 H SER A 448 19.235 24.255 17.965 1.00 0.00 H new ATOM 0 HA SER A 448 21.246 22.179 18.467 1.00 0.00 H new ATOM 0 HB2 SER A 448 18.205 22.087 18.241 1.00 0.00 H new ATOM 0 HB3 SER A 448 19.224 20.722 18.653 1.00 0.00 H new ATOM 0 HG SER A 448 18.365 21.774 20.532 1.00 0.00 H new ATOM 48 N SER A 449 21.310 22.469 15.766 1.00 0.00 N ATOM 49 CA SER A 449 21.458 22.077 14.369 1.00 0.00 C ATOM 50 C SER A 449 22.174 20.734 14.255 1.00 0.00 C ATOM 51 O SER A 449 22.652 20.187 15.247 1.00 0.00 O ATOM 52 CB SER A 449 22.232 23.147 13.596 1.00 0.00 C ATOM 53 OG SER A 449 23.293 23.671 14.375 1.00 0.00 O ATOM 0 H SER A 449 21.991 23.158 16.086 1.00 0.00 H new ATOM 0 HA SER A 449 20.462 21.977 13.938 1.00 0.00 H new ATOM 0 HB2 SER A 449 22.629 22.719 12.676 1.00 0.00 H new ATOM 0 HB3 SER A 449 21.556 23.952 13.308 1.00 0.00 H new ATOM 0 HG SER A 449 23.773 24.351 13.858 1.00 0.00 H new ATOM 59 N GLY A 450 22.242 20.208 13.035 1.00 0.00 N ATOM 60 CA GLY A 450 22.900 18.934 12.813 1.00 0.00 C ATOM 61 C GLY A 450 21.939 17.765 12.885 1.00 0.00 C ATOM 62 O GLY A 450 21.969 16.984 13.838 1.00 0.00 O ATOM 0 H GLY A 450 21.853 20.642 12.198 1.00 0.00 H new ATOM 0 HA2 GLY A 450 23.383 18.944 11.836 1.00 0.00 H new ATOM 0 HA3 GLY A 450 23.686 18.800 13.556 1.00 0.00 H new ATOM 66 N THR A 451 21.081 17.642 11.877 1.00 0.00 N ATOM 67 CA THR A 451 20.104 16.561 11.832 1.00 0.00 C ATOM 68 C THR A 451 19.624 16.313 10.407 1.00 0.00 C ATOM 69 O THR A 451 19.773 17.168 9.534 1.00 0.00 O ATOM 70 CB THR A 451 18.888 16.866 12.726 1.00 0.00 C ATOM 71 OG1 THR A 451 18.005 15.738 12.753 1.00 0.00 O ATOM 72 CG2 THR A 451 18.139 18.090 12.223 1.00 0.00 C ATOM 0 H THR A 451 21.043 18.278 11.080 1.00 0.00 H new ATOM 0 HA THR A 451 20.604 15.667 12.204 1.00 0.00 H new ATOM 0 HB THR A 451 19.249 17.070 13.734 1.00 0.00 H new ATOM 0 HG1 THR A 451 17.235 15.939 13.325 1.00 0.00 H new ATOM 0 HG21 THR A 451 17.284 18.285 12.871 1.00 0.00 H new ATOM 0 HG22 THR A 451 18.805 18.953 12.231 1.00 0.00 H new ATOM 0 HG23 THR A 451 17.790 17.911 11.206 1.00 0.00 H new ATOM 80 N GLY A 452 19.046 15.138 10.178 1.00 0.00 N ATOM 81 CA GLY A 452 18.551 14.800 8.856 1.00 0.00 C ATOM 82 C GLY A 452 18.760 13.337 8.516 1.00 0.00 C ATOM 83 O GLY A 452 19.871 12.922 8.189 1.00 0.00 O ATOM 0 H GLY A 452 18.912 14.414 10.884 1.00 0.00 H new ATOM 0 HA2 GLY A 452 17.488 15.035 8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 452 19.055 15.418 8.113 1.00 0.00 H new ATOM 87 N GLU A 453 17.688 12.554 8.595 1.00 0.00 N ATOM 88 CA GLU A 453 17.761 11.129 8.296 1.00 0.00 C ATOM 89 C GLU A 453 16.540 10.678 7.499 1.00 0.00 C ATOM 90 O GLU A 453 15.634 11.467 7.228 1.00 0.00 O ATOM 91 CB GLU A 453 17.868 10.318 9.589 1.00 0.00 C ATOM 92 CG GLU A 453 19.225 10.424 10.263 1.00 0.00 C ATOM 93 CD GLU A 453 20.243 9.465 9.678 1.00 0.00 C ATOM 94 OE1 GLU A 453 20.935 9.851 8.712 1.00 0.00 O ATOM 95 OE2 GLU A 453 20.349 8.329 10.185 1.00 0.00 O ATOM 0 H GLU A 453 16.760 12.882 8.863 1.00 0.00 H new ATOM 0 HA GLU A 453 18.652 10.955 7.693 1.00 0.00 H new ATOM 0 HB2 GLU A 453 17.099 10.655 10.284 1.00 0.00 H new ATOM 0 HB3 GLU A 453 17.662 9.271 9.369 1.00 0.00 H new ATOM 0 HG2 GLU A 453 19.596 11.445 10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 453 19.114 10.224 11.329 1.00 0.00 H new ATOM 102 N LYS A 454 16.523 9.403 7.125 1.00 0.00 N ATOM 103 CA LYS A 454 15.414 8.844 6.360 1.00 0.00 C ATOM 104 C LYS A 454 15.266 7.350 6.628 1.00 0.00 C ATOM 105 O LYS A 454 16.257 6.622 6.707 1.00 0.00 O ATOM 106 CB LYS A 454 15.628 9.086 4.864 1.00 0.00 C ATOM 107 CG LYS A 454 14.595 8.402 3.984 1.00 0.00 C ATOM 108 CD LYS A 454 14.626 8.943 2.565 1.00 0.00 C ATOM 109 CE LYS A 454 15.660 8.220 1.715 1.00 0.00 C ATOM 110 NZ LYS A 454 15.266 8.177 0.280 1.00 0.00 N ATOM 0 H LYS A 454 17.265 8.737 7.339 1.00 0.00 H new ATOM 0 HA LYS A 454 14.498 9.344 6.676 1.00 0.00 H new ATOM 0 HB2 LYS A 454 15.605 10.159 4.671 1.00 0.00 H new ATOM 0 HB3 LYS A 454 16.621 8.733 4.586 1.00 0.00 H new ATOM 0 HG2 LYS A 454 14.782 7.328 3.969 1.00 0.00 H new ATOM 0 HG3 LYS A 454 13.601 8.547 4.408 1.00 0.00 H new ATOM 0 HD2 LYS A 454 13.641 8.835 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 454 14.852 10.009 2.586 1.00 0.00 H new ATOM 0 HE2 LYS A 454 16.624 8.720 1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 454 15.789 7.204 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 15.996 7.676 -0.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 14.359 7.678 0.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 15.167 9.147 -0.082 1.00 0.00 H new ATOM 124 N LEU A 455 14.025 6.899 6.767 1.00 0.00 N ATOM 125 CA LEU A 455 13.747 5.490 7.025 1.00 0.00 C ATOM 126 C LEU A 455 12.370 5.101 6.497 1.00 0.00 C ATOM 127 O LEU A 455 11.350 5.613 6.958 1.00 0.00 O ATOM 128 CB LEU A 455 13.831 5.200 8.525 1.00 0.00 C ATOM 129 CG LEU A 455 15.238 5.144 9.120 1.00 0.00 C ATOM 130 CD1 LEU A 455 15.173 5.023 10.635 1.00 0.00 C ATOM 131 CD2 LEU A 455 16.024 3.986 8.523 1.00 0.00 C ATOM 0 H LEU A 455 13.195 7.488 6.705 1.00 0.00 H new ATOM 0 HA LEU A 455 14.497 4.896 6.503 1.00 0.00 H new ATOM 0 HB2 LEU A 455 13.264 5.966 9.055 1.00 0.00 H new ATOM 0 HB3 LEU A 455 13.338 4.247 8.719 1.00 0.00 H new ATOM 0 HG LEU A 455 15.753 6.072 8.873 1.00 0.00 H new ATOM 0 HD11 LEU A 455 16.184 4.984 11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 455 14.649 5.886 11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 455 14.639 4.112 10.905 1.00 0.00 H new ATOM 0 HD21 LEU A 455 17.023 3.962 8.958 1.00 0.00 H new ATOM 0 HD22 LEU A 455 15.511 3.049 8.739 1.00 0.00 H new ATOM 0 HD23 LEU A 455 16.102 4.117 7.444 1.00 0.00 H new ATOM 143 N TYR A 456 12.349 4.191 5.529 1.00 0.00 N ATOM 144 CA TYR A 456 11.098 3.733 4.938 1.00 0.00 C ATOM 145 C TYR A 456 10.210 3.070 5.986 1.00 0.00 C ATOM 146 O TYR A 456 10.581 2.059 6.580 1.00 0.00 O ATOM 147 CB TYR A 456 11.377 2.753 3.797 1.00 0.00 C ATOM 148 CG TYR A 456 12.426 3.241 2.823 1.00 0.00 C ATOM 149 CD1 TYR A 456 12.421 4.553 2.366 1.00 0.00 C ATOM 150 CD2 TYR A 456 13.421 2.390 2.359 1.00 0.00 C ATOM 151 CE1 TYR A 456 13.377 5.003 1.476 1.00 0.00 C ATOM 152 CE2 TYR A 456 14.381 2.831 1.469 1.00 0.00 C ATOM 153 CZ TYR A 456 14.355 4.139 1.031 1.00 0.00 C ATOM 154 OH TYR A 456 15.309 4.582 0.144 1.00 0.00 O ATOM 0 H TYR A 456 13.184 3.756 5.137 1.00 0.00 H new ATOM 0 HA TYR A 456 10.574 4.603 4.542 1.00 0.00 H new ATOM 0 HB2 TYR A 456 11.699 1.800 4.218 1.00 0.00 H new ATOM 0 HB3 TYR A 456 10.450 2.565 3.256 1.00 0.00 H new ATOM 0 HD1 TYR A 456 11.657 5.233 2.712 1.00 0.00 H new ATOM 0 HD2 TYR A 456 13.444 1.366 2.700 1.00 0.00 H new ATOM 0 HE1 TYR A 456 13.358 6.026 1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 456 15.147 2.156 1.118 1.00 0.00 H new ATOM 0 HH TYR A 456 15.924 3.849 -0.068 1.00 0.00 H new ATOM 164 N ASN A 457 9.035 3.649 6.208 1.00 0.00 N ATOM 165 CA ASN A 457 8.092 3.116 7.185 1.00 0.00 C ATOM 166 C ASN A 457 6.728 3.784 7.046 1.00 0.00 C ATOM 167 O ASN A 457 6.597 4.996 7.218 1.00 0.00 O ATOM 168 CB ASN A 457 8.628 3.316 8.604 1.00 0.00 C ATOM 169 CG ASN A 457 7.935 2.424 9.616 1.00 0.00 C ATOM 170 OD1 ASN A 457 6.713 2.463 9.759 1.00 0.00 O ATOM 171 ND2 ASN A 457 8.715 1.614 10.323 1.00 0.00 N ATOM 0 H ASN A 457 8.713 4.487 5.725 1.00 0.00 H new ATOM 0 HA ASN A 457 7.975 2.049 6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 457 9.699 3.112 8.617 1.00 0.00 H new ATOM 0 HB3 ASN A 457 8.499 4.359 8.894 1.00 0.00 H new ATOM 0 HD21 ASN A 457 8.305 0.990 11.018 1.00 0.00 H new ATOM 0 HD22 ASN A 457 9.724 1.616 10.170 1.00 0.00 H new ATOM 178 N CYS A 458 5.713 2.985 6.734 1.00 0.00 N ATOM 179 CA CYS A 458 4.358 3.497 6.572 1.00 0.00 C ATOM 180 C CYS A 458 3.765 3.905 7.918 1.00 0.00 C ATOM 181 O CYS A 458 3.364 3.057 8.715 1.00 0.00 O ATOM 182 CB CYS A 458 3.468 2.444 5.909 1.00 0.00 C ATOM 183 SG CYS A 458 1.962 3.121 5.138 1.00 0.00 S ATOM 0 H CYS A 458 5.804 1.980 6.588 1.00 0.00 H new ATOM 0 HA CYS A 458 4.404 4.379 5.933 1.00 0.00 H new ATOM 0 HB2 CYS A 458 4.048 1.920 5.149 1.00 0.00 H new ATOM 0 HB3 CYS A 458 3.180 1.705 6.656 1.00 0.00 H new ATOM 188 N LYS A 459 3.715 5.210 8.165 1.00 0.00 N ATOM 189 CA LYS A 459 3.171 5.732 9.413 1.00 0.00 C ATOM 190 C LYS A 459 1.647 5.794 9.358 1.00 0.00 C ATOM 191 O LYS A 459 0.979 5.742 10.390 1.00 0.00 O ATOM 192 CB LYS A 459 3.738 7.125 9.697 1.00 0.00 C ATOM 193 CG LYS A 459 5.246 7.141 9.882 1.00 0.00 C ATOM 194 CD LYS A 459 5.633 6.877 11.327 1.00 0.00 C ATOM 195 CE LYS A 459 5.735 8.170 12.122 1.00 0.00 C ATOM 196 NZ LYS A 459 6.797 9.067 11.587 1.00 0.00 N ATOM 0 H LYS A 459 4.045 5.925 7.517 1.00 0.00 H new ATOM 0 HA LYS A 459 3.461 5.057 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 459 3.474 7.790 8.875 1.00 0.00 H new ATOM 0 HB3 LYS A 459 3.266 7.524 10.595 1.00 0.00 H new ATOM 0 HG2 LYS A 459 5.700 6.387 9.239 1.00 0.00 H new ATOM 0 HG3 LYS A 459 5.642 8.107 9.569 1.00 0.00 H new ATOM 0 HD2 LYS A 459 4.894 6.222 11.789 1.00 0.00 H new ATOM 0 HD3 LYS A 459 6.588 6.353 11.359 1.00 0.00 H new ATOM 0 HE2 LYS A 459 4.776 8.688 12.098 1.00 0.00 H new ATOM 0 HE3 LYS A 459 5.947 7.939 13.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 459 7.144 9.687 12.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 459 7.584 8.494 11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 459 6.406 9.648 10.818 1.00 0.00 H new ATOM 210 N GLU A 460 1.107 5.904 8.149 1.00 0.00 N ATOM 211 CA GLU A 460 -0.338 5.971 7.962 1.00 0.00 C ATOM 212 C GLU A 460 -1.029 4.787 8.632 1.00 0.00 C ATOM 213 O GLU A 460 -1.700 4.942 9.654 1.00 0.00 O ATOM 214 CB GLU A 460 -0.681 6.000 6.471 1.00 0.00 C ATOM 215 CG GLU A 460 -0.332 7.312 5.791 1.00 0.00 C ATOM 216 CD GLU A 460 -1.041 7.488 4.462 1.00 0.00 C ATOM 217 OE1 GLU A 460 -2.267 7.725 4.472 1.00 0.00 O ATOM 218 OE2 GLU A 460 -0.371 7.388 3.414 1.00 0.00 O ATOM 0 H GLU A 460 1.647 5.949 7.285 1.00 0.00 H new ATOM 0 HA GLU A 460 -0.697 6.889 8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 460 -0.153 5.189 5.970 1.00 0.00 H new ATOM 0 HB3 GLU A 460 -1.747 5.810 6.348 1.00 0.00 H new ATOM 0 HG2 GLU A 460 -0.594 8.139 6.450 1.00 0.00 H new ATOM 0 HG3 GLU A 460 0.745 7.359 5.633 1.00 0.00 H new ATOM 225 N CYS A 461 -0.862 3.605 8.050 1.00 0.00 N ATOM 226 CA CYS A 461 -1.469 2.394 8.588 1.00 0.00 C ATOM 227 C CYS A 461 -0.602 1.795 9.691 1.00 0.00 C ATOM 228 O CYS A 461 -1.095 1.078 10.562 1.00 0.00 O ATOM 229 CB CYS A 461 -1.679 1.366 7.474 1.00 0.00 C ATOM 230 SG CYS A 461 -0.139 0.618 6.852 1.00 0.00 S ATOM 0 H CYS A 461 -0.310 3.460 7.204 1.00 0.00 H new ATOM 0 HA CYS A 461 -2.436 2.660 9.015 1.00 0.00 H new ATOM 0 HB2 CYS A 461 -2.331 0.575 7.843 1.00 0.00 H new ATOM 0 HB3 CYS A 461 -2.198 1.846 6.644 1.00 0.00 H new ATOM 235 N GLY A 462 0.692 2.095 9.648 1.00 0.00 N ATOM 236 CA GLY A 462 1.607 1.578 10.650 1.00 0.00 C ATOM 237 C GLY A 462 2.011 0.142 10.380 1.00 0.00 C ATOM 238 O GLY A 462 1.773 -0.743 11.202 1.00 0.00 O ATOM 0 H GLY A 462 1.124 2.686 8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 462 2.499 2.204 10.680 1.00 0.00 H new ATOM 0 HA3 GLY A 462 1.139 1.642 11.632 1.00 0.00 H new ATOM 242 N LYS A 463 2.624 -0.091 9.225 1.00 0.00 N ATOM 243 CA LYS A 463 3.062 -1.430 8.847 1.00 0.00 C ATOM 244 C LYS A 463 4.427 -1.384 8.168 1.00 0.00 C ATOM 245 O LYS A 463 4.590 -0.755 7.123 1.00 0.00 O ATOM 246 CB LYS A 463 2.038 -2.080 7.914 1.00 0.00 C ATOM 247 CG LYS A 463 0.742 -2.464 8.607 1.00 0.00 C ATOM 248 CD LYS A 463 -0.182 -3.230 7.675 1.00 0.00 C ATOM 249 CE LYS A 463 -1.335 -3.868 8.434 1.00 0.00 C ATOM 250 NZ LYS A 463 -2.239 -4.632 7.530 1.00 0.00 N ATOM 0 H LYS A 463 2.829 0.630 8.534 1.00 0.00 H new ATOM 0 HA LYS A 463 3.147 -2.027 9.755 1.00 0.00 H new ATOM 0 HB2 LYS A 463 1.814 -1.392 7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 463 2.480 -2.971 7.468 1.00 0.00 H new ATOM 0 HG2 LYS A 463 0.963 -3.073 9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 463 0.238 -1.565 8.963 1.00 0.00 H new ATOM 0 HD2 LYS A 463 -0.575 -2.555 6.915 1.00 0.00 H new ATOM 0 HD3 LYS A 463 0.384 -4.002 7.154 1.00 0.00 H new ATOM 0 HE2 LYS A 463 -0.940 -4.535 9.201 1.00 0.00 H new ATOM 0 HE3 LYS A 463 -1.905 -3.093 8.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 463 -3.012 -5.051 8.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 463 -2.636 -3.991 6.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 463 -1.701 -5.388 7.059 1.00 0.00 H new ATOM 264 N SER A 464 5.404 -2.056 8.769 1.00 0.00 N ATOM 265 CA SER A 464 6.756 -2.090 8.223 1.00 0.00 C ATOM 266 C SER A 464 6.968 -3.339 7.373 1.00 0.00 C ATOM 267 O SER A 464 6.987 -4.458 7.887 1.00 0.00 O ATOM 268 CB SER A 464 7.786 -2.047 9.353 1.00 0.00 C ATOM 269 OG SER A 464 9.090 -2.311 8.864 1.00 0.00 O ATOM 0 H SER A 464 5.285 -2.584 9.634 1.00 0.00 H new ATOM 0 HA SER A 464 6.887 -1.214 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 464 7.765 -1.068 9.832 1.00 0.00 H new ATOM 0 HB3 SER A 464 7.525 -2.780 10.116 1.00 0.00 H new ATOM 0 HG SER A 464 9.730 -2.276 9.605 1.00 0.00 H new ATOM 275 N PHE A 465 7.126 -3.140 6.068 1.00 0.00 N ATOM 276 CA PHE A 465 7.336 -4.249 5.146 1.00 0.00 C ATOM 277 C PHE A 465 8.765 -4.773 5.241 1.00 0.00 C ATOM 278 O PHE A 465 9.666 -4.072 5.703 1.00 0.00 O ATOM 279 CB PHE A 465 7.036 -3.810 3.711 1.00 0.00 C ATOM 280 CG PHE A 465 5.568 -3.716 3.407 1.00 0.00 C ATOM 281 CD1 PHE A 465 4.758 -2.835 4.106 1.00 0.00 C ATOM 282 CD2 PHE A 465 4.998 -4.507 2.423 1.00 0.00 C ATOM 283 CE1 PHE A 465 3.406 -2.747 3.829 1.00 0.00 C ATOM 284 CE2 PHE A 465 3.647 -4.422 2.141 1.00 0.00 C ATOM 285 CZ PHE A 465 2.851 -3.541 2.845 1.00 0.00 C ATOM 0 H PHE A 465 7.112 -2.221 5.626 1.00 0.00 H new ATOM 0 HA PHE A 465 6.654 -5.053 5.423 1.00 0.00 H new ATOM 0 HB2 PHE A 465 7.499 -2.839 3.532 1.00 0.00 H new ATOM 0 HB3 PHE A 465 7.498 -4.515 3.020 1.00 0.00 H new ATOM 0 HD1 PHE A 465 5.187 -2.210 4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 465 5.616 -5.198 1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 465 2.785 -2.058 4.382 1.00 0.00 H new ATOM 0 HE2 PHE A 465 3.215 -5.044 1.371 1.00 0.00 H new ATOM 0 HZ PHE A 465 1.796 -3.473 2.626 1.00 0.00 H new ATOM 295 N SER A 466 8.966 -6.011 4.800 1.00 0.00 N ATOM 296 CA SER A 466 10.285 -6.632 4.840 1.00 0.00 C ATOM 297 C SER A 466 11.151 -6.141 3.684 1.00 0.00 C ATOM 298 O SER A 466 12.367 -6.004 3.820 1.00 0.00 O ATOM 299 CB SER A 466 10.156 -8.156 4.784 1.00 0.00 C ATOM 300 OG SER A 466 11.426 -8.779 4.877 1.00 0.00 O ATOM 0 H SER A 466 8.232 -6.603 4.411 1.00 0.00 H new ATOM 0 HA SER A 466 10.765 -6.349 5.777 1.00 0.00 H new ATOM 0 HB2 SER A 466 9.518 -8.500 5.598 1.00 0.00 H new ATOM 0 HB3 SER A 466 9.671 -8.449 3.853 1.00 0.00 H new ATOM 0 HG SER A 466 11.316 -9.752 4.840 1.00 0.00 H new ATOM 306 N ARG A 467 10.516 -5.879 2.546 1.00 0.00 N ATOM 307 CA ARG A 467 11.227 -5.404 1.366 1.00 0.00 C ATOM 308 C ARG A 467 11.140 -3.885 1.253 1.00 0.00 C ATOM 309 O ARG A 467 10.074 -3.332 0.983 1.00 0.00 O ATOM 310 CB ARG A 467 10.655 -6.053 0.104 1.00 0.00 C ATOM 311 CG ARG A 467 10.808 -7.565 0.075 1.00 0.00 C ATOM 312 CD ARG A 467 12.173 -7.977 -0.452 1.00 0.00 C ATOM 313 NE ARG A 467 12.465 -9.382 -0.178 1.00 0.00 N ATOM 314 CZ ARG A 467 11.978 -10.387 -0.897 1.00 0.00 C ATOM 315 NH1 ARG A 467 11.181 -10.144 -1.928 1.00 0.00 N ATOM 316 NH2 ARG A 467 12.289 -11.639 -0.585 1.00 0.00 N ATOM 0 H ARG A 467 9.510 -5.988 2.417 1.00 0.00 H new ATOM 0 HA ARG A 467 12.275 -5.684 1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 467 9.597 -5.802 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 467 11.151 -5.629 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 467 10.669 -7.965 1.079 1.00 0.00 H new ATOM 0 HG3 ARG A 467 10.029 -7.999 -0.552 1.00 0.00 H new ATOM 0 HD2 ARG A 467 12.215 -7.801 -1.527 1.00 0.00 H new ATOM 0 HD3 ARG A 467 12.941 -7.352 0.003 1.00 0.00 H new ATOM 0 HE ARG A 467 13.076 -9.603 0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 467 10.940 -9.183 -2.171 1.00 0.00 H new ATOM 0 HH12 ARG A 467 10.809 -10.918 -2.478 1.00 0.00 H new ATOM 0 HH21 ARG A 467 12.902 -11.830 0.207 1.00 0.00 H new ATOM 0 HH22 ARG A 467 11.915 -12.410 -1.138 1.00 0.00 H new ATOM 330 N ALA A 468 12.269 -3.215 1.462 1.00 0.00 N ATOM 331 CA ALA A 468 12.321 -1.761 1.383 1.00 0.00 C ATOM 332 C ALA A 468 11.757 -1.263 0.056 1.00 0.00 C ATOM 333 O ALA A 468 10.844 -0.438 0.012 1.00 0.00 O ATOM 334 CB ALA A 468 13.750 -1.273 1.567 1.00 0.00 C ATOM 0 H ALA A 468 13.160 -3.657 1.687 1.00 0.00 H new ATOM 0 HA ALA A 468 11.704 -1.356 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 468 13.774 -0.185 1.506 1.00 0.00 H new ATOM 0 HB2 ALA A 468 14.120 -1.590 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 468 14.382 -1.694 0.785 1.00 0.00 H new ATOM 340 N PRO A 469 12.311 -1.775 -1.053 1.00 0.00 N ATOM 341 CA PRO A 469 11.879 -1.396 -2.401 1.00 0.00 C ATOM 342 C PRO A 469 10.363 -1.439 -2.558 1.00 0.00 C ATOM 343 O PRO A 469 9.775 -0.593 -3.231 1.00 0.00 O ATOM 344 CB PRO A 469 12.539 -2.450 -3.294 1.00 0.00 C ATOM 345 CG PRO A 469 13.732 -2.904 -2.527 1.00 0.00 C ATOM 346 CD PRO A 469 13.403 -2.763 -1.076 1.00 0.00 C ATOM 0 HA PRO A 469 12.161 -0.372 -2.646 1.00 0.00 H new ATOM 0 HB2 PRO A 469 11.860 -3.278 -3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 469 12.825 -2.029 -4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 469 13.974 -3.939 -2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 469 14.606 -2.305 -2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 469 13.091 -3.713 -0.643 1.00 0.00 H new ATOM 0 HD3 PRO A 469 14.264 -2.420 -0.503 1.00 0.00 H new ATOM 354 N CYS A 470 9.736 -2.429 -1.931 1.00 0.00 N ATOM 355 CA CYS A 470 8.287 -2.582 -2.001 1.00 0.00 C ATOM 356 C CYS A 470 7.592 -1.611 -1.053 1.00 0.00 C ATOM 357 O CYS A 470 6.556 -1.034 -1.388 1.00 0.00 O ATOM 358 CB CYS A 470 7.889 -4.019 -1.662 1.00 0.00 C ATOM 359 SG CYS A 470 8.687 -5.270 -2.695 1.00 0.00 S ATOM 0 H CYS A 470 10.208 -3.137 -1.369 1.00 0.00 H new ATOM 0 HA CYS A 470 7.970 -2.356 -3.019 1.00 0.00 H new ATOM 0 HB2 CYS A 470 8.133 -4.216 -0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 470 6.808 -4.118 -1.760 1.00 0.00 H new ATOM 0 HG CYS A 470 8.289 -6.452 -2.330 1.00 0.00 H new ATOM 365 N LEU A 471 8.166 -1.437 0.132 1.00 0.00 N ATOM 366 CA LEU A 471 7.600 -0.536 1.131 1.00 0.00 C ATOM 367 C LEU A 471 7.354 0.848 0.540 1.00 0.00 C ATOM 368 O LEU A 471 6.269 1.413 0.684 1.00 0.00 O ATOM 369 CB LEU A 471 8.534 -0.430 2.338 1.00 0.00 C ATOM 370 CG LEU A 471 8.055 0.466 3.480 1.00 0.00 C ATOM 371 CD1 LEU A 471 6.649 0.078 3.910 1.00 0.00 C ATOM 372 CD2 LEU A 471 9.015 0.387 4.658 1.00 0.00 C ATOM 0 H LEU A 471 9.022 -1.907 0.425 1.00 0.00 H new ATOM 0 HA LEU A 471 6.644 -0.947 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 471 8.699 -1.432 2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 471 9.500 -0.060 1.993 1.00 0.00 H new ATOM 0 HG LEU A 471 8.032 1.496 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 471 6.325 0.727 4.724 1.00 0.00 H new ATOM 0 HD12 LEU A 471 5.967 0.187 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 471 6.645 -0.958 4.249 1.00 0.00 H new ATOM 0 HD21 LEU A 471 8.658 1.031 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 471 9.070 -0.642 5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 471 10.006 0.715 4.343 1.00 0.00 H new ATOM 384 N LEU A 472 8.367 1.389 -0.128 1.00 0.00 N ATOM 385 CA LEU A 472 8.261 2.707 -0.744 1.00 0.00 C ATOM 386 C LEU A 472 7.025 2.794 -1.633 1.00 0.00 C ATOM 387 O LEU A 472 6.410 3.853 -1.758 1.00 0.00 O ATOM 388 CB LEU A 472 9.516 3.010 -1.565 1.00 0.00 C ATOM 389 CG LEU A 472 10.773 3.358 -0.766 1.00 0.00 C ATOM 390 CD1 LEU A 472 12.008 2.771 -1.431 1.00 0.00 C ATOM 391 CD2 LEU A 472 10.910 4.867 -0.619 1.00 0.00 C ATOM 0 H LEU A 472 9.271 0.935 -0.257 1.00 0.00 H new ATOM 0 HA LEU A 472 8.167 3.447 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 472 9.735 2.144 -2.190 1.00 0.00 H new ATOM 0 HB3 LEU A 472 9.295 3.840 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 472 10.680 2.923 0.229 1.00 0.00 H new ATOM 0 HD11 LEU A 472 12.892 3.029 -0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 472 11.912 1.687 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 472 12.106 3.176 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 472 11.810 5.097 -0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 472 10.980 5.324 -1.606 1.00 0.00 H new ATOM 0 HD23 LEU A 472 10.038 5.262 -0.097 1.00 0.00 H new ATOM 403 N LYS A 473 6.664 1.673 -2.248 1.00 0.00 N ATOM 404 CA LYS A 473 5.499 1.620 -3.123 1.00 0.00 C ATOM 405 C LYS A 473 4.212 1.527 -2.311 1.00 0.00 C ATOM 406 O LYS A 473 3.179 2.072 -2.701 1.00 0.00 O ATOM 407 CB LYS A 473 5.603 0.425 -4.073 1.00 0.00 C ATOM 408 CG LYS A 473 6.940 0.330 -4.788 1.00 0.00 C ATOM 409 CD LYS A 473 7.132 1.477 -5.765 1.00 0.00 C ATOM 410 CE LYS A 473 6.342 1.257 -7.046 1.00 0.00 C ATOM 411 NZ LYS A 473 7.098 0.433 -8.030 1.00 0.00 N ATOM 0 H LYS A 473 7.162 0.788 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 473 5.473 2.540 -3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 473 5.436 -0.493 -3.509 1.00 0.00 H new ATOM 0 HB3 LYS A 473 4.808 0.491 -4.815 1.00 0.00 H new ATOM 0 HG2 LYS A 473 7.747 0.336 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 473 7.002 -0.618 -5.322 1.00 0.00 H new ATOM 0 HD2 LYS A 473 6.817 2.410 -5.298 1.00 0.00 H new ATOM 0 HD3 LYS A 473 8.191 1.580 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 473 5.398 0.766 -6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 473 6.097 2.221 -7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 473 6.526 0.306 -8.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 473 7.987 0.913 -8.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 473 7.310 -0.497 -7.614 1.00 0.00 H new ATOM 425 N HIS A 474 4.282 0.835 -1.178 1.00 0.00 N ATOM 426 CA HIS A 474 3.121 0.673 -0.309 1.00 0.00 C ATOM 427 C HIS A 474 2.622 2.026 0.190 1.00 0.00 C ATOM 428 O HIS A 474 1.418 2.251 0.301 1.00 0.00 O ATOM 429 CB HIS A 474 3.469 -0.224 0.880 1.00 0.00 C ATOM 430 CG HIS A 474 2.377 -0.316 1.900 1.00 0.00 C ATOM 431 ND1 HIS A 474 1.251 -1.094 1.730 1.00 0.00 N ATOM 432 CD2 HIS A 474 2.244 0.276 3.110 1.00 0.00 C ATOM 433 CE1 HIS A 474 0.472 -0.975 2.790 1.00 0.00 C ATOM 434 NE2 HIS A 474 1.052 -0.150 3.643 1.00 0.00 N ATOM 0 H HIS A 474 5.129 0.378 -0.840 1.00 0.00 H new ATOM 0 HA HIS A 474 2.327 0.204 -0.890 1.00 0.00 H new ATOM 0 HB2 HIS A 474 3.699 -1.225 0.515 1.00 0.00 H new ATOM 0 HB3 HIS A 474 4.372 0.156 1.359 1.00 0.00 H new ATOM 0 HD1 HIS A 474 1.051 -1.671 0.913 1.00 0.00 H new ATOM 0 HD2 HIS A 474 2.945 0.957 3.571 1.00 0.00 H new ATOM 0 HE1 HIS A 474 -0.478 -1.468 2.935 1.00 0.00 H new ATOM 442 N GLU A 475 3.557 2.923 0.489 1.00 0.00 N ATOM 443 CA GLU A 475 3.211 4.253 0.977 1.00 0.00 C ATOM 444 C GLU A 475 2.468 5.048 -0.093 1.00 0.00 C ATOM 445 O GLU A 475 1.677 5.939 0.218 1.00 0.00 O ATOM 446 CB GLU A 475 4.471 5.007 1.406 1.00 0.00 C ATOM 447 CG GLU A 475 5.236 4.325 2.528 1.00 0.00 C ATOM 448 CD GLU A 475 6.573 4.983 2.806 1.00 0.00 C ATOM 449 OE1 GLU A 475 6.938 5.921 2.066 1.00 0.00 O ATOM 450 OE2 GLU A 475 7.256 4.560 3.762 1.00 0.00 O ATOM 0 H GLU A 475 4.559 2.753 0.402 1.00 0.00 H new ATOM 0 HA GLU A 475 2.555 4.137 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 475 5.129 5.118 0.544 1.00 0.00 H new ATOM 0 HB3 GLU A 475 4.192 6.011 1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 475 4.632 4.340 3.435 1.00 0.00 H new ATOM 0 HG3 GLU A 475 5.397 3.279 2.269 1.00 0.00 H new ATOM 457 N ARG A 476 2.730 4.721 -1.354 1.00 0.00 N ATOM 458 CA ARG A 476 2.089 5.405 -2.470 1.00 0.00 C ATOM 459 C ARG A 476 0.697 4.836 -2.730 1.00 0.00 C ATOM 460 O ARG A 476 -0.214 5.557 -3.139 1.00 0.00 O ATOM 461 CB ARG A 476 2.945 5.282 -3.732 1.00 0.00 C ATOM 462 CG ARG A 476 4.319 5.918 -3.599 1.00 0.00 C ATOM 463 CD ARG A 476 4.281 7.402 -3.929 1.00 0.00 C ATOM 464 NE ARG A 476 5.470 8.101 -3.451 1.00 0.00 N ATOM 465 CZ ARG A 476 5.619 9.420 -3.502 1.00 0.00 C ATOM 466 NH1 ARG A 476 4.657 10.179 -4.008 1.00 0.00 N ATOM 467 NH2 ARG A 476 6.731 9.982 -3.046 1.00 0.00 N ATOM 0 H ARG A 476 3.382 3.986 -1.628 1.00 0.00 H new ATOM 0 HA ARG A 476 1.989 6.458 -2.208 1.00 0.00 H new ATOM 0 HB2 ARG A 476 3.064 4.227 -3.979 1.00 0.00 H new ATOM 0 HB3 ARG A 476 2.418 5.746 -4.565 1.00 0.00 H new ATOM 0 HG2 ARG A 476 4.688 5.780 -2.583 1.00 0.00 H new ATOM 0 HG3 ARG A 476 5.020 5.414 -4.264 1.00 0.00 H new ATOM 0 HD2 ARG A 476 4.194 7.531 -5.008 1.00 0.00 H new ATOM 0 HD3 ARG A 476 3.393 7.850 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 476 6.229 7.546 -3.056 1.00 0.00 H new ATOM 0 HH11 ARG A 476 3.801 9.750 -4.359 1.00 0.00 H new ATOM 0 HH12 ARG A 476 4.773 11.192 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 476 7.473 9.401 -2.656 1.00 0.00 H new ATOM 0 HH22 ARG A 476 6.844 10.995 -3.086 1.00 0.00 H new ATOM 481 N LEU A 477 0.540 3.539 -2.490 1.00 0.00 N ATOM 482 CA LEU A 477 -0.740 2.872 -2.699 1.00 0.00 C ATOM 483 C LEU A 477 -1.838 3.530 -1.869 1.00 0.00 C ATOM 484 O LEU A 477 -3.003 3.553 -2.269 1.00 0.00 O ATOM 485 CB LEU A 477 -0.631 1.390 -2.336 1.00 0.00 C ATOM 486 CG LEU A 477 0.232 0.534 -3.263 1.00 0.00 C ATOM 487 CD1 LEU A 477 0.384 -0.872 -2.705 1.00 0.00 C ATOM 488 CD2 LEU A 477 -0.367 0.492 -4.662 1.00 0.00 C ATOM 0 H LEU A 477 1.283 2.928 -2.151 1.00 0.00 H new ATOM 0 HA LEU A 477 -1.001 2.963 -3.753 1.00 0.00 H new ATOM 0 HB2 LEU A 477 -0.230 1.313 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 477 -1.635 0.967 -2.314 1.00 0.00 H new ATOM 0 HG LEU A 477 1.222 0.987 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 477 1.001 -1.466 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 477 0.858 -0.825 -1.725 1.00 0.00 H new ATOM 0 HD13 LEU A 477 -0.599 -1.334 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 477 0.261 -0.122 -5.308 1.00 0.00 H new ATOM 0 HD22 LEU A 477 -1.369 0.064 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 477 -0.422 1.503 -5.065 1.00 0.00 H new ATOM 500 N HIS A 478 -1.459 4.066 -0.714 1.00 0.00 N ATOM 501 CA HIS A 478 -2.412 4.728 0.171 1.00 0.00 C ATOM 502 C HIS A 478 -2.964 5.995 -0.476 1.00 0.00 C ATOM 503 O HIS A 478 -2.620 6.325 -1.610 1.00 0.00 O ATOM 504 CB HIS A 478 -1.748 5.071 1.505 1.00 0.00 C ATOM 505 CG HIS A 478 -1.670 3.912 2.451 1.00 0.00 C ATOM 506 ND1 HIS A 478 -2.727 3.514 3.242 1.00 0.00 N ATOM 507 CD2 HIS A 478 -0.654 3.062 2.728 1.00 0.00 C ATOM 508 CE1 HIS A 478 -2.364 2.471 3.966 1.00 0.00 C ATOM 509 NE2 HIS A 478 -1.111 2.176 3.673 1.00 0.00 N ATOM 0 H HIS A 478 -0.499 4.055 -0.368 1.00 0.00 H new ATOM 0 HA HIS A 478 -3.240 4.042 0.351 1.00 0.00 H new ATOM 0 HB2 HIS A 478 -0.741 5.443 1.315 1.00 0.00 H new ATOM 0 HB3 HIS A 478 -2.302 5.880 1.980 1.00 0.00 H new ATOM 0 HD1 HIS A 478 -3.646 3.956 3.264 1.00 0.00 H new ATOM 0 HD2 HIS A 478 0.332 3.077 2.288 1.00 0.00 H new ATOM 0 HE1 HIS A 478 -2.986 1.948 4.677 1.00 0.00 H new ATOM 517 N SER A 479 -3.823 6.700 0.254 1.00 0.00 N ATOM 518 CA SER A 479 -4.427 7.927 -0.251 1.00 0.00 C ATOM 519 C SER A 479 -3.938 9.137 0.540 1.00 0.00 C ATOM 520 O SER A 479 -3.463 9.006 1.667 1.00 0.00 O ATOM 521 CB SER A 479 -5.952 7.838 -0.177 1.00 0.00 C ATOM 522 OG SER A 479 -6.557 9.025 -0.662 1.00 0.00 O ATOM 0 H SER A 479 -4.116 6.442 1.196 1.00 0.00 H new ATOM 0 HA SER A 479 -4.128 8.049 -1.292 1.00 0.00 H new ATOM 0 HB2 SER A 479 -6.298 6.985 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 479 -6.260 7.665 0.854 1.00 0.00 H new ATOM 0 HG SER A 479 -7.532 8.942 -0.606 1.00 0.00 H new ATOM 528 N GLY A 480 -4.060 10.317 -0.061 1.00 0.00 N ATOM 529 CA GLY A 480 -3.627 11.535 0.600 1.00 0.00 C ATOM 530 C GLY A 480 -4.072 12.783 -0.135 1.00 0.00 C ATOM 531 O GLY A 480 -4.874 13.561 0.381 1.00 0.00 O ATOM 0 H GLY A 480 -4.451 10.451 -0.994 1.00 0.00 H new ATOM 0 HA2 GLY A 480 -4.023 11.554 1.615 1.00 0.00 H new ATOM 0 HA3 GLY A 480 -2.540 11.534 0.682 1.00 0.00 H new ATOM 535 N GLU A 481 -3.549 12.976 -1.342 1.00 0.00 N ATOM 536 CA GLU A 481 -3.897 14.141 -2.147 1.00 0.00 C ATOM 537 C GLU A 481 -5.253 13.953 -2.820 1.00 0.00 C ATOM 538 O GLU A 481 -5.651 12.832 -3.137 1.00 0.00 O ATOM 539 CB GLU A 481 -2.821 14.397 -3.205 1.00 0.00 C ATOM 540 CG GLU A 481 -2.648 15.866 -3.554 1.00 0.00 C ATOM 541 CD GLU A 481 -3.588 16.318 -4.655 1.00 0.00 C ATOM 542 OE1 GLU A 481 -3.545 15.723 -5.752 1.00 0.00 O ATOM 543 OE2 GLU A 481 -4.366 17.266 -4.419 1.00 0.00 O ATOM 0 H GLU A 481 -2.884 12.341 -1.783 1.00 0.00 H new ATOM 0 HA GLU A 481 -3.957 15.004 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 481 -1.870 14.003 -2.847 1.00 0.00 H new ATOM 0 HB3 GLU A 481 -3.074 13.845 -4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 481 -2.820 16.470 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 481 -1.618 16.043 -3.865 1.00 0.00 H new ATOM 550 N LYS A 482 -5.959 15.058 -3.035 1.00 0.00 N ATOM 551 CA LYS A 482 -7.271 15.017 -3.670 1.00 0.00 C ATOM 552 C LYS A 482 -7.244 15.728 -5.020 1.00 0.00 C ATOM 553 O LYS A 482 -7.792 16.818 -5.185 1.00 0.00 O ATOM 554 CB LYS A 482 -8.320 15.662 -2.763 1.00 0.00 C ATOM 555 CG LYS A 482 -8.802 14.751 -1.647 1.00 0.00 C ATOM 556 CD LYS A 482 -9.817 15.448 -0.757 1.00 0.00 C ATOM 557 CE LYS A 482 -9.136 16.311 0.295 1.00 0.00 C ATOM 558 NZ LYS A 482 -10.123 17.024 1.151 1.00 0.00 N ATOM 0 H LYS A 482 -5.644 15.994 -2.779 1.00 0.00 H new ATOM 0 HA LYS A 482 -7.535 13.972 -3.834 1.00 0.00 H new ATOM 0 HB2 LYS A 482 -7.902 16.569 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 482 -9.175 15.965 -3.368 1.00 0.00 H new ATOM 0 HG2 LYS A 482 -9.248 13.854 -2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 482 -7.951 14.428 -1.047 1.00 0.00 H new ATOM 0 HD2 LYS A 482 -10.474 16.067 -1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 482 -10.445 14.704 -0.268 1.00 0.00 H new ATOM 0 HE2 LYS A 482 -8.498 15.686 0.920 1.00 0.00 H new ATOM 0 HE3 LYS A 482 -8.488 17.038 -0.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 482 -9.619 17.601 1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 482 -10.716 17.640 0.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 482 -10.725 16.330 1.639 1.00 0.00 H new ATOM 572 N PRO A 483 -6.592 15.098 -6.009 1.00 0.00 N ATOM 573 CA PRO A 483 -6.480 15.652 -7.361 1.00 0.00 C ATOM 574 C PRO A 483 -7.813 15.645 -8.102 1.00 0.00 C ATOM 575 O PRO A 483 -8.847 15.292 -7.536 1.00 0.00 O ATOM 576 CB PRO A 483 -5.482 14.715 -8.047 1.00 0.00 C ATOM 577 CG PRO A 483 -5.601 13.428 -7.306 1.00 0.00 C ATOM 578 CD PRO A 483 -5.915 13.797 -5.883 1.00 0.00 C ATOM 0 HA PRO A 483 -6.167 16.696 -7.349 1.00 0.00 H new ATOM 0 HB2 PRO A 483 -5.720 14.587 -9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 483 -4.467 15.110 -7.994 1.00 0.00 H new ATOM 0 HG2 PRO A 483 -6.388 12.805 -7.730 1.00 0.00 H new ATOM 0 HG3 PRO A 483 -4.675 12.856 -7.366 1.00 0.00 H new ATOM 0 HD2 PRO A 483 -6.556 13.055 -5.408 1.00 0.00 H new ATOM 0 HD3 PRO A 483 -5.011 13.871 -5.278 1.00 0.00 H new ATOM 586 N SER A 484 -7.781 16.037 -9.372 1.00 0.00 N ATOM 587 CA SER A 484 -8.987 16.079 -10.190 1.00 0.00 C ATOM 588 C SER A 484 -8.839 15.193 -11.423 1.00 0.00 C ATOM 589 O SER A 484 -9.803 14.583 -11.882 1.00 0.00 O ATOM 590 CB SER A 484 -9.291 17.517 -10.615 1.00 0.00 C ATOM 591 OG SER A 484 -8.221 18.064 -11.366 1.00 0.00 O ATOM 0 H SER A 484 -6.933 16.330 -9.856 1.00 0.00 H new ATOM 0 HA SER A 484 -9.816 15.702 -9.591 1.00 0.00 H new ATOM 0 HB2 SER A 484 -10.205 17.538 -11.209 1.00 0.00 H new ATOM 0 HB3 SER A 484 -9.470 18.130 -9.732 1.00 0.00 H new ATOM 0 HG SER A 484 -8.441 18.983 -11.627 1.00 0.00 H new ATOM 597 N GLY A 485 -7.622 15.128 -11.954 1.00 0.00 N ATOM 598 CA GLY A 485 -7.368 14.315 -13.129 1.00 0.00 C ATOM 599 C GLY A 485 -7.192 15.147 -14.384 1.00 0.00 C ATOM 600 O GLY A 485 -7.450 16.351 -14.397 1.00 0.00 O ATOM 0 H GLY A 485 -6.808 15.624 -11.592 1.00 0.00 H new ATOM 0 HA2 GLY A 485 -6.472 13.716 -12.966 1.00 0.00 H new ATOM 0 HA3 GLY A 485 -8.195 13.619 -13.271 1.00 0.00 H new ATOM 604 N PRO A 486 -6.740 14.501 -15.469 1.00 0.00 N ATOM 605 CA PRO A 486 -6.518 15.171 -16.754 1.00 0.00 C ATOM 606 C PRO A 486 -7.824 15.586 -17.424 1.00 0.00 C ATOM 607 O PRO A 486 -8.558 14.748 -17.946 1.00 0.00 O ATOM 608 CB PRO A 486 -5.803 14.106 -17.590 1.00 0.00 C ATOM 609 CG PRO A 486 -6.229 12.809 -16.995 1.00 0.00 C ATOM 610 CD PRO A 486 -6.411 13.067 -15.525 1.00 0.00 C ATOM 0 HA PRO A 486 -5.951 16.095 -16.640 1.00 0.00 H new ATOM 0 HB2 PRO A 486 -6.086 14.172 -18.641 1.00 0.00 H new ATOM 0 HB3 PRO A 486 -4.721 14.227 -17.543 1.00 0.00 H new ATOM 0 HG2 PRO A 486 -7.157 12.458 -17.447 1.00 0.00 H new ATOM 0 HG3 PRO A 486 -5.479 12.036 -17.166 1.00 0.00 H new ATOM 0 HD2 PRO A 486 -7.209 12.455 -15.105 1.00 0.00 H new ATOM 0 HD3 PRO A 486 -5.506 12.840 -14.962 1.00 0.00 H new ATOM 618 N SER A 487 -8.106 16.885 -17.405 1.00 0.00 N ATOM 619 CA SER A 487 -9.325 17.411 -18.008 1.00 0.00 C ATOM 620 C SER A 487 -9.024 18.642 -18.856 1.00 0.00 C ATOM 621 O SER A 487 -8.155 19.446 -18.518 1.00 0.00 O ATOM 622 CB SER A 487 -10.346 17.761 -16.924 1.00 0.00 C ATOM 623 OG SER A 487 -9.842 18.759 -16.052 1.00 0.00 O ATOM 0 H SER A 487 -7.507 17.592 -16.979 1.00 0.00 H new ATOM 0 HA SER A 487 -9.743 16.639 -18.655 1.00 0.00 H new ATOM 0 HB2 SER A 487 -11.268 18.111 -17.388 1.00 0.00 H new ATOM 0 HB3 SER A 487 -10.596 16.867 -16.353 1.00 0.00 H new ATOM 0 HG SER A 487 -10.514 18.966 -15.369 1.00 0.00 H new ATOM 629 N SER A 488 -9.749 18.784 -19.961 1.00 0.00 N ATOM 630 CA SER A 488 -9.558 19.915 -20.862 1.00 0.00 C ATOM 631 C SER A 488 -10.655 20.957 -20.666 1.00 0.00 C ATOM 632 O SER A 488 -11.695 20.910 -21.320 1.00 0.00 O ATOM 633 CB SER A 488 -9.543 19.440 -22.316 1.00 0.00 C ATOM 634 OG SER A 488 -9.077 20.461 -23.181 1.00 0.00 O ATOM 0 H SER A 488 -10.474 18.130 -20.254 1.00 0.00 H new ATOM 0 HA SER A 488 -8.598 20.375 -20.629 1.00 0.00 H new ATOM 0 HB2 SER A 488 -8.905 18.561 -22.408 1.00 0.00 H new ATOM 0 HB3 SER A 488 -10.547 19.137 -22.613 1.00 0.00 H new ATOM 0 HG SER A 488 -9.075 20.132 -24.104 1.00 0.00 H new ATOM 640 N GLY A 489 -10.414 21.898 -19.758 1.00 0.00 N ATOM 641 CA GLY A 489 -11.390 22.938 -19.490 1.00 0.00 C ATOM 642 C GLY A 489 -11.772 23.709 -20.739 1.00 0.00 C ATOM 643 O GLY A 489 -11.103 23.564 -21.760 1.00 0.00 O ATOM 0 H GLY A 489 -9.560 21.959 -19.203 1.00 0.00 H new ATOM 0 HA2 GLY A 489 -12.284 22.490 -19.055 1.00 0.00 H new ATOM 0 HA3 GLY A 489 -10.987 23.629 -18.749 1.00 0.00 H new TER 647 GLY A 489 HETATM 648 ZN ZN A 201 0.409 1.418 4.708 1.00 0.00 ZN