USER MOD reduce.3.24.130724 H: found=0, std=0, add=244, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 245 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 Set 1.1: A 461 GLN : amide:sc= 1.02 K(o=1.5,f=-5.9) USER MOD Set 1.2: A 464 LYS NZ :NH3+ 177:sc= 0.45 (180deg=-0.715) USER MOD Set 2.1: A 449 ASN : amide:sc= 0.51 K(o=-1.9,f=-7.2!) USER MOD Set 2.2: A 452 THR OG1 : rot -175:sc= -2.43 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 TYR OH : rot 180:sc= 0 USER MOD Single : A 439 LYS NZ :NH3+ 169:sc= -0.0062 (180deg=-0.112) USER MOD Single : A 440 THR OG1 : rot 146:sc= 1.02 USER MOD Single : A 444 LYS NZ :NH3+ -152:sc= 1.1 (180deg=0.704) USER MOD Single : A 445 THR OG1 : rot 180:sc= 0.0314 USER MOD Single : A 446 TYR OH : rot 180:sc= 0 USER MOD Single : A 447 TYR OH : rot 180:sc= 0 USER MOD Single : A 448 TYR OH : rot -13:sc= 1.23 USER MOD Single : A 450 ASN : amide:sc= 0.545 K(o=0.55,f=0) USER MOD Single : A 455 SER OG : rot 180:sc= 0 USER MOD Single : A 456 THR OG1 : rot 180:sc= 0 USER MOD Single : A 459 LYS NZ :NH3+ 170:sc= 2.08 (180deg=1.62) USER MOD ----------------------------------------------------------------- ATOM 71 N GLU A 434 -8.304 2.801 0.765 1.00 15.00 N ATOM 72 CA GLU A 434 -8.271 1.393 1.140 1.00 15.00 C ATOM 73 C GLU A 434 -6.841 0.943 1.373 1.00 15.00 C ATOM 74 O GLU A 434 -6.593 -0.074 2.028 1.00 15.00 O ATOM 75 CB GLU A 434 -8.880 0.508 0.057 1.00 15.00 C ATOM 76 CG GLU A 434 -10.277 0.902 -0.369 1.00 15.00 C ATOM 77 CD GLU A 434 -10.936 -0.183 -1.187 1.00 15.00 C ATOM 78 OE1 GLU A 434 -10.530 -0.382 -2.351 1.00 15.00 O ATOM 79 OE2 GLU A 434 -11.849 -0.860 -0.660 1.00 15.00 O ATOM 0 HA GLU A 434 -8.856 1.293 2.054 1.00 15.00 H new ATOM 0 HB2 GLU A 434 -8.229 0.527 -0.817 1.00 15.00 H new ATOM 0 HB3 GLU A 434 -8.901 -0.521 0.417 1.00 15.00 H new ATOM 0 HG2 GLU A 434 -10.882 1.111 0.513 1.00 15.00 H new ATOM 0 HG3 GLU A 434 -10.234 1.822 -0.951 1.00 15.00 H new ATOM 86 N TRP A 435 -5.909 1.687 0.800 1.00 15.00 N ATOM 87 CA TRP A 435 -4.501 1.335 0.853 1.00 15.00 C ATOM 88 C TRP A 435 -3.767 2.201 1.864 1.00 15.00 C ATOM 89 O TRP A 435 -3.855 3.426 1.825 1.00 15.00 O ATOM 90 CB TRP A 435 -3.861 1.501 -0.527 1.00 15.00 C ATOM 91 CG TRP A 435 -4.482 0.642 -1.589 1.00 15.00 C ATOM 92 CD1 TRP A 435 -5.684 0.837 -2.199 1.00 15.00 C ATOM 93 CD2 TRP A 435 -3.920 -0.537 -2.179 1.00 15.00 C ATOM 94 NE1 TRP A 435 -5.915 -0.151 -3.120 1.00 15.00 N ATOM 95 CE2 TRP A 435 -4.846 -1.007 -3.130 1.00 15.00 C ATOM 96 CE3 TRP A 435 -2.728 -1.243 -1.993 1.00 15.00 C ATOM 97 CZ2 TRP A 435 -4.616 -2.148 -3.894 1.00 15.00 C ATOM 98 CZ3 TRP A 435 -2.503 -2.376 -2.752 1.00 15.00 C ATOM 99 CH2 TRP A 435 -3.442 -2.820 -3.692 1.00 15.00 C ATOM 0 H TRP A 435 -6.106 2.547 0.288 1.00 15.00 H new ATOM 0 HA TRP A 435 -4.424 0.293 1.162 1.00 15.00 H new ATOM 0 HB2 TRP A 435 -3.935 2.546 -0.828 1.00 15.00 H new ATOM 0 HB3 TRP A 435 -2.799 1.264 -0.456 1.00 15.00 H new ATOM 0 HD1 TRP A 435 -6.359 1.653 -1.987 1.00 15.00 H new ATOM 0 HE1 TRP A 435 -6.748 -0.235 -3.703 1.00 15.00 H new ATOM 0 HE3 TRP A 435 -1.997 -0.910 -1.271 1.00 15.00 H new ATOM 0 HZ2 TRP A 435 -5.339 -2.490 -4.620 1.00 15.00 H new ATOM 0 HZ3 TRP A 435 -1.586 -2.930 -2.618 1.00 15.00 H new ATOM 0 HH2 TRP A 435 -3.235 -3.710 -4.268 1.00 15.00 H new ATOM 110 N THR A 436 -3.050 1.558 2.767 1.00 15.00 N ATOM 111 CA THR A 436 -2.222 2.264 3.728 1.00 15.00 C ATOM 112 C THR A 436 -0.765 1.888 3.510 1.00 15.00 C ATOM 113 O THR A 436 -0.458 0.744 3.179 1.00 15.00 O ATOM 114 CB THR A 436 -2.621 1.906 5.166 1.00 15.00 C ATOM 115 OG1 THR A 436 -4.053 1.844 5.262 1.00 15.00 O ATOM 116 CG2 THR A 436 -2.088 2.934 6.157 1.00 15.00 C ATOM 0 H THR A 436 -3.024 0.542 2.855 1.00 15.00 H new ATOM 0 HA THR A 436 -2.364 3.335 3.582 1.00 15.00 H new ATOM 0 HB THR A 436 -2.187 0.937 5.413 1.00 15.00 H new ATOM 0 HG1 THR A 436 -4.310 1.614 6.179 1.00 15.00 H new ATOM 0 HG21 THR A 436 -2.386 2.654 7.167 1.00 15.00 H new ATOM 0 HG22 THR A 436 -1.000 2.968 6.096 1.00 15.00 H new ATOM 0 HG23 THR A 436 -2.496 3.916 5.917 1.00 15.00 H new ATOM 124 N GLU A 437 0.129 2.836 3.695 1.00 15.00 N ATOM 125 CA GLU A 437 1.535 2.594 3.438 1.00 15.00 C ATOM 126 C GLU A 437 2.377 2.828 4.685 1.00 15.00 C ATOM 127 O GLU A 437 2.215 3.823 5.394 1.00 15.00 O ATOM 128 CB GLU A 437 2.042 3.465 2.279 1.00 15.00 C ATOM 129 CG GLU A 437 2.051 4.964 2.551 1.00 15.00 C ATOM 130 CD GLU A 437 0.670 5.588 2.557 1.00 15.00 C ATOM 131 OE1 GLU A 437 0.009 5.573 3.617 1.00 15.00 O ATOM 132 OE2 GLU A 437 0.251 6.114 1.504 1.00 15.00 O ATOM 0 H GLU A 437 -0.090 3.777 4.021 1.00 15.00 H new ATOM 0 HA GLU A 437 1.637 1.547 3.153 1.00 15.00 H new ATOM 0 HB2 GLU A 437 3.055 3.152 2.026 1.00 15.00 H new ATOM 0 HB3 GLU A 437 1.421 3.274 1.404 1.00 15.00 H new ATOM 0 HG2 GLU A 437 2.527 5.147 3.514 1.00 15.00 H new ATOM 0 HG3 GLU A 437 2.661 5.458 1.795 1.00 15.00 H new ATOM 139 N TYR A 438 3.283 1.901 4.936 1.00 15.00 N ATOM 140 CA TYR A 438 4.212 2.006 6.049 1.00 15.00 C ATOM 141 C TYR A 438 5.633 1.946 5.517 1.00 15.00 C ATOM 142 O TYR A 438 5.928 1.135 4.635 1.00 15.00 O ATOM 143 CB TYR A 438 3.988 0.869 7.045 1.00 15.00 C ATOM 144 CG TYR A 438 2.613 0.866 7.679 1.00 15.00 C ATOM 145 CD1 TYR A 438 2.316 1.707 8.744 1.00 15.00 C ATOM 146 CD2 TYR A 438 1.614 0.016 7.217 1.00 15.00 C ATOM 147 CE1 TYR A 438 1.065 1.701 9.332 1.00 15.00 C ATOM 148 CE2 TYR A 438 0.360 0.007 7.798 1.00 15.00 C ATOM 149 CZ TYR A 438 0.090 0.851 8.855 1.00 15.00 C ATOM 150 OH TYR A 438 -1.158 0.838 9.439 1.00 15.00 O ATOM 0 H TYR A 438 3.397 1.056 4.376 1.00 15.00 H new ATOM 0 HA TYR A 438 4.046 2.953 6.563 1.00 15.00 H new ATOM 0 HB2 TYR A 438 4.144 -0.082 6.536 1.00 15.00 H new ATOM 0 HB3 TYR A 438 4.739 0.936 7.832 1.00 15.00 H new ATOM 0 HD1 TYR A 438 3.076 2.377 9.119 1.00 15.00 H new ATOM 0 HD2 TYR A 438 1.821 -0.648 6.391 1.00 15.00 H new ATOM 0 HE1 TYR A 438 0.852 2.359 10.161 1.00 15.00 H new ATOM 0 HE2 TYR A 438 -0.405 -0.658 7.426 1.00 15.00 H new ATOM 0 HH TYR A 438 -1.726 0.183 8.982 1.00 15.00 H new ATOM 160 N LYS A 439 6.511 2.784 6.047 1.00 15.00 N ATOM 161 CA LYS A 439 7.890 2.817 5.587 1.00 15.00 C ATOM 162 C LYS A 439 8.722 1.835 6.403 1.00 15.00 C ATOM 163 O LYS A 439 8.747 1.887 7.635 1.00 15.00 O ATOM 164 CB LYS A 439 8.467 4.237 5.690 1.00 15.00 C ATOM 165 CG LYS A 439 9.813 4.430 4.984 1.00 15.00 C ATOM 166 CD LYS A 439 9.675 4.459 3.460 1.00 15.00 C ATOM 167 CE LYS A 439 8.953 5.704 2.957 1.00 15.00 C ATOM 168 NZ LYS A 439 9.708 6.953 3.230 1.00 15.00 N ATOM 0 H LYS A 439 6.295 3.447 6.792 1.00 15.00 H new ATOM 0 HA LYS A 439 7.921 2.523 4.538 1.00 15.00 H new ATOM 0 HB2 LYS A 439 7.747 4.939 5.270 1.00 15.00 H new ATOM 0 HB3 LYS A 439 8.584 4.492 6.743 1.00 15.00 H new ATOM 0 HG2 LYS A 439 10.267 5.361 5.323 1.00 15.00 H new ATOM 0 HG3 LYS A 439 10.489 3.624 5.269 1.00 15.00 H new ATOM 0 HD2 LYS A 439 10.666 4.412 3.009 1.00 15.00 H new ATOM 0 HD3 LYS A 439 9.133 3.572 3.132 1.00 15.00 H new ATOM 0 HE2 LYS A 439 8.785 5.613 1.884 1.00 15.00 H new ATOM 0 HE3 LYS A 439 7.973 5.766 3.429 1.00 15.00 H new ATOM 0 HZ1 LYS A 439 9.273 7.742 2.711 1.00 15.00 H new ATOM 0 HZ2 LYS A 439 9.687 7.156 4.250 1.00 15.00 H new ATOM 0 HZ3 LYS A 439 10.694 6.837 2.921 1.00 15.00 H new ATOM 182 N THR A 440 9.418 0.968 5.703 1.00 15.00 N ATOM 183 CA THR A 440 10.211 -0.080 6.312 1.00 15.00 C ATOM 184 C THR A 440 11.620 0.422 6.578 1.00 15.00 C ATOM 185 O THR A 440 12.076 1.342 5.909 1.00 15.00 O ATOM 186 CB THR A 440 10.264 -1.325 5.414 1.00 15.00 C ATOM 187 OG1 THR A 440 10.631 -0.947 4.085 1.00 15.00 O ATOM 188 CG2 THR A 440 8.920 -2.037 5.387 1.00 15.00 C ATOM 0 H THR A 440 9.451 0.969 4.684 1.00 15.00 H new ATOM 0 HA THR A 440 9.740 -0.357 7.255 1.00 15.00 H new ATOM 0 HB THR A 440 11.009 -2.008 5.822 1.00 15.00 H new ATOM 0 HG1 THR A 440 11.173 -1.656 3.681 1.00 15.00 H new ATOM 0 HG21 THR A 440 8.986 -2.915 4.744 1.00 15.00 H new ATOM 0 HG22 THR A 440 8.652 -2.347 6.397 1.00 15.00 H new ATOM 0 HG23 THR A 440 8.158 -1.361 5.001 1.00 15.00 H new ATOM 196 N ALA A 441 12.260 -0.123 7.610 1.00 15.00 N ATOM 197 CA ALA A 441 13.601 0.303 8.034 1.00 15.00 C ATOM 198 C ALA A 441 14.601 0.401 6.870 1.00 15.00 C ATOM 199 O ALA A 441 15.601 1.112 6.971 1.00 15.00 O ATOM 200 CB ALA A 441 14.135 -0.647 9.096 1.00 15.00 C ATOM 0 H ALA A 441 11.867 -0.873 8.179 1.00 15.00 H new ATOM 0 HA ALA A 441 13.496 1.307 8.444 1.00 15.00 H new ATOM 0 HB1 ALA A 441 15.129 -0.325 9.405 1.00 15.00 H new ATOM 0 HB2 ALA A 441 13.467 -0.642 9.958 1.00 15.00 H new ATOM 0 HB3 ALA A 441 14.191 -1.656 8.687 1.00 15.00 H new ATOM 206 N ASP A 442 14.334 -0.301 5.772 1.00 15.00 N ATOM 207 CA ASP A 442 15.202 -0.241 4.590 1.00 15.00 C ATOM 208 C ASP A 442 14.940 1.033 3.778 1.00 15.00 C ATOM 209 O ASP A 442 15.592 1.285 2.762 1.00 15.00 O ATOM 210 CB ASP A 442 15.020 -1.477 3.705 1.00 15.00 C ATOM 211 CG ASP A 442 13.606 -1.631 3.188 1.00 15.00 C ATOM 212 OD1 ASP A 442 13.265 -1.005 2.165 1.00 15.00 O ATOM 213 OD2 ASP A 442 12.832 -2.394 3.802 1.00 15.00 O ATOM 0 H ASP A 442 13.527 -0.917 5.672 1.00 15.00 H new ATOM 0 HA ASP A 442 16.233 -0.221 4.944 1.00 15.00 H new ATOM 0 HB2 ASP A 442 15.705 -1.416 2.860 1.00 15.00 H new ATOM 0 HB3 ASP A 442 15.292 -2.367 4.273 1.00 15.00 H new ATOM 218 N GLY A 443 13.975 1.822 4.232 1.00 15.00 N ATOM 219 CA GLY A 443 13.750 3.145 3.689 1.00 15.00 C ATOM 220 C GLY A 443 12.785 3.190 2.525 1.00 15.00 C ATOM 221 O GLY A 443 12.987 3.971 1.593 1.00 15.00 O ATOM 0 H GLY A 443 13.334 1.561 4.981 1.00 15.00 H new ATOM 0 HA2 GLY A 443 13.373 3.790 4.482 1.00 15.00 H new ATOM 0 HA3 GLY A 443 14.706 3.560 3.368 1.00 15.00 H new ATOM 225 N LYS A 444 11.729 2.375 2.566 1.00 15.00 N ATOM 226 CA LYS A 444 10.685 2.427 1.532 1.00 15.00 C ATOM 227 C LYS A 444 9.319 1.997 2.060 1.00 15.00 C ATOM 228 O LYS A 444 9.220 1.254 3.027 1.00 15.00 O ATOM 229 CB LYS A 444 10.987 1.519 0.400 1.00 15.00 C ATOM 230 CG LYS A 444 12.321 1.738 -0.296 1.00 15.00 C ATOM 231 CD LYS A 444 12.419 0.929 -1.579 1.00 15.00 C ATOM 232 CE LYS A 444 12.298 -0.566 -1.324 1.00 15.00 C ATOM 233 NZ LYS A 444 13.374 -1.062 -0.430 1.00 15.00 N ATOM 0 H LYS A 444 11.572 1.678 3.294 1.00 15.00 H new ATOM 0 HA LYS A 444 10.664 3.469 1.212 1.00 15.00 H new ATOM 0 HB2 LYS A 444 10.955 0.493 0.766 1.00 15.00 H new ATOM 0 HB3 LYS A 444 10.193 1.618 -0.341 1.00 15.00 H new ATOM 0 HG2 LYS A 444 12.445 2.797 -0.522 1.00 15.00 H new ATOM 0 HG3 LYS A 444 13.133 1.458 0.375 1.00 15.00 H new ATOM 0 HD2 LYS A 444 11.634 1.244 -2.266 1.00 15.00 H new ATOM 0 HD3 LYS A 444 13.371 1.137 -2.066 1.00 15.00 H new ATOM 0 HE2 LYS A 444 11.327 -0.781 -0.878 1.00 15.00 H new ATOM 0 HE3 LYS A 444 12.338 -1.101 -2.273 1.00 15.00 H new ATOM 0 HZ1 LYS A 444 13.566 -2.062 -0.640 1.00 15.00 H new ATOM 0 HZ2 LYS A 444 14.238 -0.504 -0.584 1.00 15.00 H new ATOM 0 HZ3 LYS A 444 13.073 -0.968 0.561 1.00 15.00 H new ATOM 247 N THR A 445 8.272 2.473 1.400 1.00 15.00 N ATOM 248 CA THR A 445 6.910 2.193 1.813 1.00 15.00 C ATOM 249 C THR A 445 6.304 1.060 1.008 1.00 15.00 C ATOM 250 O THR A 445 6.553 0.935 -0.192 1.00 15.00 O ATOM 251 CB THR A 445 6.018 3.433 1.644 1.00 15.00 C ATOM 252 OG1 THR A 445 6.542 4.273 0.608 1.00 15.00 O ATOM 253 CG2 THR A 445 5.898 4.219 2.938 1.00 15.00 C ATOM 0 H THR A 445 8.345 3.060 0.569 1.00 15.00 H new ATOM 0 HA THR A 445 6.957 1.906 2.864 1.00 15.00 H new ATOM 0 HB THR A 445 5.020 3.091 1.369 1.00 15.00 H new ATOM 0 HG1 THR A 445 5.968 5.061 0.504 1.00 15.00 H new ATOM 0 HG21 THR A 445 5.260 5.088 2.778 1.00 15.00 H new ATOM 0 HG22 THR A 445 5.461 3.585 3.710 1.00 15.00 H new ATOM 0 HG23 THR A 445 6.887 4.549 3.256 1.00 15.00 H new ATOM 261 N TYR A 446 5.507 0.244 1.667 1.00 15.00 N ATOM 262 CA TYR A 446 4.727 -0.766 0.978 1.00 15.00 C ATOM 263 C TYR A 446 3.257 -0.453 1.156 1.00 15.00 C ATOM 264 O TYR A 446 2.818 -0.081 2.247 1.00 15.00 O ATOM 265 CB TYR A 446 5.054 -2.177 1.483 1.00 15.00 C ATOM 266 CG TYR A 446 4.633 -2.469 2.912 1.00 15.00 C ATOM 267 CD1 TYR A 446 5.437 -2.108 3.986 1.00 15.00 C ATOM 268 CD2 TYR A 446 3.436 -3.122 3.181 1.00 15.00 C ATOM 269 CE1 TYR A 446 5.059 -2.387 5.286 1.00 15.00 C ATOM 270 CE2 TYR A 446 3.050 -3.402 4.478 1.00 15.00 C ATOM 271 CZ TYR A 446 3.864 -3.033 5.526 1.00 15.00 C ATOM 272 OH TYR A 446 3.485 -3.316 6.819 1.00 15.00 O ATOM 0 H TYR A 446 5.382 0.260 2.679 1.00 15.00 H new ATOM 0 HA TYR A 446 4.980 -0.747 -0.082 1.00 15.00 H new ATOM 0 HB2 TYR A 446 4.573 -2.901 0.825 1.00 15.00 H new ATOM 0 HB3 TYR A 446 6.129 -2.335 1.399 1.00 15.00 H new ATOM 0 HD1 TYR A 446 6.373 -1.601 3.802 1.00 15.00 H new ATOM 0 HD2 TYR A 446 2.796 -3.416 2.362 1.00 15.00 H new ATOM 0 HE1 TYR A 446 5.696 -2.101 6.110 1.00 15.00 H new ATOM 0 HE2 TYR A 446 2.115 -3.908 4.669 1.00 15.00 H new ATOM 0 HH TYR A 446 2.618 -3.772 6.813 1.00 15.00 H new ATOM 282 N TYR A 447 2.501 -0.599 0.089 1.00 15.00 N ATOM 283 CA TYR A 447 1.099 -0.221 0.100 1.00 15.00 C ATOM 284 C TYR A 447 0.215 -1.442 0.316 1.00 15.00 C ATOM 285 O TYR A 447 0.263 -2.408 -0.448 1.00 15.00 O ATOM 286 CB TYR A 447 0.740 0.511 -1.194 1.00 15.00 C ATOM 287 CG TYR A 447 1.515 1.800 -1.383 1.00 15.00 C ATOM 288 CD1 TYR A 447 1.068 2.993 -0.828 1.00 15.00 C ATOM 289 CD2 TYR A 447 2.694 1.824 -2.116 1.00 15.00 C ATOM 290 CE1 TYR A 447 1.773 4.169 -1.000 1.00 15.00 C ATOM 291 CE2 TYR A 447 3.406 2.998 -2.290 1.00 15.00 C ATOM 292 CZ TYR A 447 2.941 4.166 -1.730 1.00 15.00 C ATOM 293 OH TYR A 447 3.645 5.338 -1.897 1.00 15.00 O ATOM 0 H TYR A 447 2.831 -0.977 -0.799 1.00 15.00 H new ATOM 0 HA TYR A 447 0.923 0.461 0.932 1.00 15.00 H new ATOM 0 HB2 TYR A 447 0.930 -0.148 -2.042 1.00 15.00 H new ATOM 0 HB3 TYR A 447 -0.327 0.732 -1.195 1.00 15.00 H new ATOM 0 HD1 TYR A 447 0.154 3.001 -0.252 1.00 15.00 H new ATOM 0 HD2 TYR A 447 3.062 0.910 -2.558 1.00 15.00 H new ATOM 0 HE1 TYR A 447 1.409 5.087 -0.563 1.00 15.00 H new ATOM 0 HE2 TYR A 447 4.322 2.998 -2.862 1.00 15.00 H new ATOM 0 HH TYR A 447 4.445 5.165 -2.436 1.00 15.00 H new ATOM 303 N TYR A 448 -0.580 -1.380 1.370 1.00 15.00 N ATOM 304 CA TYR A 448 -1.403 -2.494 1.806 1.00 15.00 C ATOM 305 C TYR A 448 -2.889 -2.183 1.639 1.00 15.00 C ATOM 306 O TYR A 448 -3.380 -1.185 2.166 1.00 15.00 O ATOM 307 CB TYR A 448 -1.083 -2.792 3.278 1.00 15.00 C ATOM 308 CG TYR A 448 -2.071 -3.708 3.967 1.00 15.00 C ATOM 309 CD1 TYR A 448 -2.132 -5.059 3.660 1.00 15.00 C ATOM 310 CD2 TYR A 448 -2.948 -3.210 4.924 1.00 15.00 C ATOM 311 CE1 TYR A 448 -3.038 -5.889 4.288 1.00 15.00 C ATOM 312 CE2 TYR A 448 -3.857 -4.035 5.554 1.00 15.00 C ATOM 313 CZ TYR A 448 -3.897 -5.372 5.232 1.00 15.00 C ATOM 314 OH TYR A 448 -4.807 -6.194 5.848 1.00 15.00 O ATOM 0 H TYR A 448 -0.673 -0.548 1.952 1.00 15.00 H new ATOM 0 HA TYR A 448 -1.181 -3.365 1.190 1.00 15.00 H new ATOM 0 HB2 TYR A 448 -0.091 -3.240 3.337 1.00 15.00 H new ATOM 0 HB3 TYR A 448 -1.040 -1.850 3.824 1.00 15.00 H new ATOM 0 HD1 TYR A 448 -1.461 -5.467 2.919 1.00 15.00 H new ATOM 0 HD2 TYR A 448 -2.917 -2.161 5.178 1.00 15.00 H new ATOM 0 HE1 TYR A 448 -3.073 -6.940 4.040 1.00 15.00 H new ATOM 0 HE2 TYR A 448 -4.533 -3.634 6.295 1.00 15.00 H new ATOM 0 HH TYR A 448 -4.858 -7.045 5.365 1.00 15.00 H new ATOM 324 N ASN A 449 -3.600 -3.032 0.902 1.00 15.00 N ATOM 325 CA ASN A 449 -5.053 -2.924 0.818 1.00 15.00 C ATOM 326 C ASN A 449 -5.674 -3.760 1.916 1.00 15.00 C ATOM 327 O ASN A 449 -5.240 -4.882 2.165 1.00 15.00 O ATOM 328 CB ASN A 449 -5.583 -3.409 -0.528 1.00 15.00 C ATOM 329 CG ASN A 449 -7.083 -3.168 -0.661 1.00 15.00 C ATOM 330 OD1 ASN A 449 -7.899 -3.960 -0.182 1.00 15.00 O ATOM 331 ND2 ASN A 449 -7.462 -2.078 -1.307 1.00 15.00 N ATOM 0 H ASN A 449 -3.198 -3.796 0.359 1.00 15.00 H new ATOM 0 HA ASN A 449 -5.318 -1.872 0.928 1.00 15.00 H new ATOM 0 HB2 ASN A 449 -5.059 -2.894 -1.333 1.00 15.00 H new ATOM 0 HB3 ASN A 449 -5.374 -4.473 -0.640 1.00 15.00 H new ATOM 0 HD21 ASN A 449 -8.454 -1.872 -1.421 1.00 15.00 H new ATOM 0 HD22 ASN A 449 -6.762 -1.443 -1.691 1.00 15.00 H new ATOM 338 N ASN A 450 -6.708 -3.237 2.540 1.00 15.00 N ATOM 339 CA ASN A 450 -7.284 -3.876 3.711 1.00 15.00 C ATOM 340 C ASN A 450 -8.118 -5.110 3.384 1.00 15.00 C ATOM 341 O ASN A 450 -7.770 -6.203 3.822 1.00 15.00 O ATOM 342 CB ASN A 450 -8.108 -2.873 4.518 1.00 15.00 C ATOM 343 CG ASN A 450 -7.250 -1.969 5.383 1.00 15.00 C ATOM 344 OD1 ASN A 450 -6.964 -2.288 6.531 1.00 15.00 O ATOM 345 ND2 ASN A 450 -6.837 -0.834 4.842 1.00 15.00 N ATOM 0 H ASN A 450 -7.169 -2.372 2.259 1.00 15.00 H new ATOM 0 HA ASN A 450 -6.444 -4.225 4.311 1.00 15.00 H new ATOM 0 HB2 ASN A 450 -8.698 -2.262 3.835 1.00 15.00 H new ATOM 0 HB3 ASN A 450 -8.811 -3.414 5.151 1.00 15.00 H new ATOM 0 HD21 ASN A 450 -6.260 -0.191 5.384 1.00 15.00 H new ATOM 0 HD22 ASN A 450 -7.095 -0.603 3.883 1.00 15.00 H new ATOM 352 N ARG A 451 -9.207 -4.980 2.627 1.00 15.00 N ATOM 353 CA ARG A 451 -10.128 -6.116 2.546 1.00 15.00 C ATOM 354 C ARG A 451 -9.759 -7.093 1.451 1.00 15.00 C ATOM 355 O ARG A 451 -10.411 -8.123 1.286 1.00 15.00 O ATOM 356 CB ARG A 451 -11.541 -5.614 2.257 1.00 15.00 C ATOM 357 CG ARG A 451 -12.246 -5.068 3.472 1.00 15.00 C ATOM 358 CD ARG A 451 -11.703 -3.716 3.913 1.00 15.00 C ATOM 359 NE ARG A 451 -11.854 -2.690 2.879 1.00 15.00 N ATOM 360 CZ ARG A 451 -11.533 -1.405 3.045 1.00 15.00 C ATOM 361 NH1 ARG A 451 -11.073 -0.980 4.215 1.00 15.00 N ATOM 362 NH2 ARG A 451 -11.676 -0.545 2.041 1.00 15.00 N ATOM 0 H ARG A 451 -9.466 -4.152 2.090 1.00 15.00 H new ATOM 0 HA ARG A 451 -10.069 -6.629 3.506 1.00 15.00 H new ATOM 0 HB2 ARG A 451 -11.493 -4.836 1.495 1.00 15.00 H new ATOM 0 HB3 ARG A 451 -12.130 -6.431 1.842 1.00 15.00 H new ATOM 0 HG2 ARG A 451 -13.310 -4.974 3.257 1.00 15.00 H new ATOM 0 HG3 ARG A 451 -12.148 -5.779 4.293 1.00 15.00 H new ATOM 0 HD2 ARG A 451 -12.222 -3.396 4.817 1.00 15.00 H new ATOM 0 HD3 ARG A 451 -10.648 -3.817 4.170 1.00 15.00 H new ATOM 0 HE ARG A 451 -12.228 -2.976 1.974 1.00 15.00 H new ATOM 0 HH11 ARG A 451 -10.964 -1.636 4.989 1.00 15.00 H new ATOM 0 HH12 ARG A 451 -10.828 0.002 4.340 1.00 15.00 H new ATOM 0 HH21 ARG A 451 -12.032 -0.867 1.141 1.00 15.00 H new ATOM 0 HH22 ARG A 451 -11.430 0.436 2.171 1.00 15.00 H new ATOM 376 N THR A 452 -8.717 -6.791 0.719 1.00 15.00 N ATOM 377 CA THR A 452 -8.055 -7.775 -0.094 1.00 15.00 C ATOM 378 C THR A 452 -6.925 -8.416 0.696 1.00 15.00 C ATOM 379 O THR A 452 -6.568 -9.579 0.492 1.00 15.00 O ATOM 380 CB THR A 452 -7.594 -7.144 -1.406 1.00 15.00 C ATOM 381 OG1 THR A 452 -6.494 -6.262 -1.184 1.00 15.00 O ATOM 382 CG2 THR A 452 -8.769 -6.372 -1.989 1.00 15.00 C ATOM 0 H THR A 452 -8.306 -5.859 0.671 1.00 15.00 H new ATOM 0 HA THR A 452 -8.746 -8.574 -0.361 1.00 15.00 H new ATOM 0 HB THR A 452 -7.263 -7.921 -2.095 1.00 15.00 H new ATOM 0 HG1 THR A 452 -6.264 -5.809 -2.022 1.00 15.00 H new ATOM 0 HG21 THR A 452 -8.470 -5.909 -2.929 1.00 15.00 H new ATOM 0 HG22 THR A 452 -9.599 -7.055 -2.169 1.00 15.00 H new ATOM 0 HG23 THR A 452 -9.081 -5.599 -1.287 1.00 15.00 H new ATOM 390 N ASP A 453 -6.379 -7.604 1.608 1.00 15.00 N ATOM 391 CA ASP A 453 -5.206 -7.939 2.406 1.00 15.00 C ATOM 392 C ASP A 453 -4.042 -8.337 1.503 1.00 15.00 C ATOM 393 O ASP A 453 -3.751 -9.516 1.301 1.00 15.00 O ATOM 394 CB ASP A 453 -5.521 -9.020 3.446 1.00 15.00 C ATOM 395 CG ASP A 453 -4.355 -9.307 4.384 1.00 15.00 C ATOM 396 OD1 ASP A 453 -3.507 -10.164 4.060 1.00 15.00 O ATOM 397 OD2 ASP A 453 -4.289 -8.682 5.464 1.00 15.00 O ATOM 0 H ASP A 453 -6.752 -6.677 1.812 1.00 15.00 H new ATOM 0 HA ASP A 453 -4.907 -7.050 2.962 1.00 15.00 H new ATOM 0 HB2 ASP A 453 -6.384 -8.709 4.034 1.00 15.00 H new ATOM 0 HB3 ASP A 453 -5.800 -9.940 2.932 1.00 15.00 H new ATOM 402 N GLU A 454 -3.444 -7.326 0.884 1.00 15.00 N ATOM 403 CA GLU A 454 -2.296 -7.524 0.016 1.00 15.00 C ATOM 404 C GLU A 454 -1.339 -6.351 0.146 1.00 15.00 C ATOM 405 O GLU A 454 -1.763 -5.202 0.277 1.00 15.00 O ATOM 406 CB GLU A 454 -2.744 -7.688 -1.438 1.00 15.00 C ATOM 407 CG GLU A 454 -3.488 -6.486 -1.998 1.00 15.00 C ATOM 408 CD GLU A 454 -4.078 -6.762 -3.362 1.00 15.00 C ATOM 409 OE1 GLU A 454 -5.090 -7.488 -3.432 1.00 15.00 O ATOM 410 OE2 GLU A 454 -3.546 -6.248 -4.366 1.00 15.00 O ATOM 0 H GLU A 454 -3.741 -6.354 0.970 1.00 15.00 H new ATOM 0 HA GLU A 454 -1.781 -8.435 0.320 1.00 15.00 H new ATOM 0 HB2 GLU A 454 -1.868 -7.880 -2.057 1.00 15.00 H new ATOM 0 HB3 GLU A 454 -3.386 -8.566 -1.512 1.00 15.00 H new ATOM 0 HG2 GLU A 454 -4.285 -6.202 -1.311 1.00 15.00 H new ATOM 0 HG3 GLU A 454 -2.806 -5.638 -2.064 1.00 15.00 H new ATOM 417 N SER A 455 -0.054 -6.643 0.103 1.00 15.00 N ATOM 418 CA SER A 455 0.969 -5.622 0.243 1.00 15.00 C ATOM 419 C SER A 455 1.855 -5.600 -0.997 1.00 15.00 C ATOM 420 O SER A 455 2.469 -6.606 -1.346 1.00 15.00 O ATOM 421 CB SER A 455 1.798 -5.904 1.498 1.00 15.00 C ATOM 422 OG SER A 455 0.949 -6.092 2.618 1.00 15.00 O ATOM 0 H SER A 455 0.310 -7.587 -0.029 1.00 15.00 H new ATOM 0 HA SER A 455 0.500 -4.643 0.344 1.00 15.00 H new ATOM 0 HB2 SER A 455 2.411 -6.792 1.345 1.00 15.00 H new ATOM 0 HB3 SER A 455 2.480 -5.075 1.685 1.00 15.00 H new ATOM 0 HG SER A 455 1.492 -6.273 3.413 1.00 15.00 H new ATOM 428 N THR A 456 1.905 -4.460 -1.669 1.00 15.00 N ATOM 429 CA THR A 456 2.675 -4.342 -2.893 1.00 15.00 C ATOM 430 C THR A 456 3.517 -3.069 -2.890 1.00 15.00 C ATOM 431 O THR A 456 3.153 -2.066 -2.266 1.00 15.00 O ATOM 432 CB THR A 456 1.758 -4.358 -4.137 1.00 15.00 C ATOM 433 OG1 THR A 456 2.543 -4.407 -5.333 1.00 15.00 O ATOM 434 CG2 THR A 456 0.852 -3.134 -4.172 1.00 15.00 C ATOM 0 H THR A 456 1.422 -3.607 -1.387 1.00 15.00 H new ATOM 0 HA THR A 456 3.340 -5.204 -2.940 1.00 15.00 H new ATOM 0 HB THR A 456 1.133 -5.249 -4.076 1.00 15.00 H new ATOM 0 HG1 THR A 456 1.950 -4.418 -6.113 1.00 15.00 H new ATOM 0 HG21 THR A 456 0.219 -3.175 -5.059 1.00 15.00 H new ATOM 0 HG22 THR A 456 0.226 -3.119 -3.280 1.00 15.00 H new ATOM 0 HG23 THR A 456 1.462 -2.231 -4.202 1.00 15.00 H new ATOM 442 N TRP A 457 4.654 -3.118 -3.569 1.00 15.00 N ATOM 443 CA TRP A 457 5.514 -1.955 -3.698 1.00 15.00 C ATOM 444 C TRP A 457 5.111 -1.158 -4.932 1.00 15.00 C ATOM 445 O TRP A 457 5.849 -1.091 -5.918 1.00 15.00 O ATOM 446 CB TRP A 457 6.985 -2.369 -3.795 1.00 15.00 C ATOM 447 CG TRP A 457 7.425 -3.296 -2.705 1.00 15.00 C ATOM 448 CD1 TRP A 457 7.382 -4.659 -2.728 1.00 15.00 C ATOM 449 CD2 TRP A 457 7.960 -2.933 -1.425 1.00 15.00 C ATOM 450 NE1 TRP A 457 7.868 -5.169 -1.550 1.00 15.00 N ATOM 451 CE2 TRP A 457 8.230 -4.130 -0.732 1.00 15.00 C ATOM 452 CE3 TRP A 457 8.245 -1.716 -0.801 1.00 15.00 C ATOM 453 CZ2 TRP A 457 8.767 -4.142 0.553 1.00 15.00 C ATOM 454 CZ3 TRP A 457 8.774 -1.728 0.476 1.00 15.00 C ATOM 455 CH2 TRP A 457 9.033 -2.933 1.140 1.00 15.00 C ATOM 0 H TRP A 457 5.001 -3.954 -4.039 1.00 15.00 H new ATOM 0 HA TRP A 457 5.396 -1.334 -2.810 1.00 15.00 H new ATOM 0 HB2 TRP A 457 7.155 -2.850 -4.758 1.00 15.00 H new ATOM 0 HB3 TRP A 457 7.607 -1.474 -3.771 1.00 15.00 H new ATOM 0 HD1 TRP A 457 7.018 -5.252 -3.554 1.00 15.00 H new ATOM 0 HE1 TRP A 457 7.947 -6.160 -1.321 1.00 15.00 H new ATOM 0 HE3 TRP A 457 8.055 -0.781 -1.308 1.00 15.00 H new ATOM 0 HZ2 TRP A 457 8.966 -5.070 1.068 1.00 15.00 H new ATOM 0 HZ3 TRP A 457 8.991 -0.792 0.970 1.00 15.00 H new ATOM 0 HH2 TRP A 457 9.451 -2.909 2.135 1.00 15.00 H new ATOM 466 N GLU A 458 3.910 -0.604 -4.886 1.00 15.00 N ATOM 467 CA GLU A 458 3.363 0.167 -5.990 1.00 15.00 C ATOM 468 C GLU A 458 2.259 1.080 -5.475 1.00 15.00 C ATOM 469 O GLU A 458 1.342 0.629 -4.787 1.00 15.00 O ATOM 470 CB GLU A 458 2.818 -0.770 -7.075 1.00 15.00 C ATOM 471 CG GLU A 458 2.242 -0.048 -8.285 1.00 15.00 C ATOM 472 CD GLU A 458 3.233 0.900 -8.932 1.00 15.00 C ATOM 473 OE1 GLU A 458 3.282 2.076 -8.528 1.00 15.00 O ATOM 474 OE2 GLU A 458 3.966 0.475 -9.853 1.00 15.00 O ATOM 0 H GLU A 458 3.287 -0.676 -4.082 1.00 15.00 H new ATOM 0 HA GLU A 458 4.154 0.775 -6.429 1.00 15.00 H new ATOM 0 HB2 GLU A 458 3.619 -1.430 -7.406 1.00 15.00 H new ATOM 0 HB3 GLU A 458 2.044 -1.402 -6.639 1.00 15.00 H new ATOM 0 HG2 GLU A 458 1.917 -0.784 -9.021 1.00 15.00 H new ATOM 0 HG3 GLU A 458 1.357 0.511 -7.981 1.00 15.00 H new ATOM 481 N LYS A 459 2.354 2.358 -5.812 1.00 15.00 N ATOM 482 CA LYS A 459 1.397 3.349 -5.349 1.00 15.00 C ATOM 483 C LYS A 459 0.051 3.139 -6.045 1.00 15.00 C ATOM 484 O LYS A 459 -0.050 3.259 -7.267 1.00 15.00 O ATOM 485 CB LYS A 459 1.941 4.757 -5.624 1.00 15.00 C ATOM 486 CG LYS A 459 1.504 5.813 -4.617 1.00 15.00 C ATOM 487 CD LYS A 459 2.286 7.107 -4.816 1.00 15.00 C ATOM 488 CE LYS A 459 2.138 8.060 -3.635 1.00 15.00 C ATOM 489 NZ LYS A 459 0.755 8.581 -3.498 1.00 15.00 N ATOM 0 H LYS A 459 3.091 2.734 -6.409 1.00 15.00 H new ATOM 0 HA LYS A 459 1.247 3.238 -4.275 1.00 15.00 H new ATOM 0 HB2 LYS A 459 3.030 4.715 -5.638 1.00 15.00 H new ATOM 0 HB3 LYS A 459 1.622 5.068 -6.619 1.00 15.00 H new ATOM 0 HG2 LYS A 459 0.437 6.007 -4.727 1.00 15.00 H new ATOM 0 HG3 LYS A 459 1.658 5.442 -3.604 1.00 15.00 H new ATOM 0 HD2 LYS A 459 3.341 6.873 -4.961 1.00 15.00 H new ATOM 0 HD3 LYS A 459 1.941 7.601 -5.724 1.00 15.00 H new ATOM 0 HE2 LYS A 459 2.421 7.544 -2.718 1.00 15.00 H new ATOM 0 HE3 LYS A 459 2.828 8.895 -3.757 1.00 15.00 H new ATOM 0 HZ1 LYS A 459 0.662 9.085 -2.593 1.00 15.00 H new ATOM 0 HZ2 LYS A 459 0.551 9.235 -4.281 1.00 15.00 H new ATOM 0 HZ3 LYS A 459 0.081 7.789 -3.524 1.00 15.00 H new ATOM 503 N PRO A 460 -0.992 2.804 -5.267 1.00 15.00 N ATOM 504 CA PRO A 460 -2.342 2.534 -5.786 1.00 15.00 C ATOM 505 C PRO A 460 -2.879 3.672 -6.645 1.00 15.00 C ATOM 506 O PRO A 460 -2.538 4.835 -6.433 1.00 15.00 O ATOM 507 CB PRO A 460 -3.197 2.379 -4.520 1.00 15.00 C ATOM 508 CG PRO A 460 -2.363 2.913 -3.406 1.00 15.00 C ATOM 509 CD PRO A 460 -0.942 2.668 -3.808 1.00 15.00 C ATOM 0 HA PRO A 460 -2.351 1.658 -6.434 1.00 15.00 H new ATOM 0 HB2 PRO A 460 -4.133 2.931 -4.609 1.00 15.00 H new ATOM 0 HB3 PRO A 460 -3.458 1.335 -4.349 1.00 15.00 H new ATOM 0 HG2 PRO A 460 -2.549 3.976 -3.253 1.00 15.00 H new ATOM 0 HG3 PRO A 460 -2.596 2.411 -2.467 1.00 15.00 H new ATOM 0 HD2 PRO A 460 -0.263 3.392 -3.357 1.00 15.00 H new ATOM 0 HD3 PRO A 460 -0.600 1.678 -3.505 1.00 15.00 H new ATOM 517 N GLN A 461 -3.725 3.338 -7.607 1.00 15.00 N ATOM 518 CA GLN A 461 -4.282 4.331 -8.517 1.00 15.00 C ATOM 519 C GLN A 461 -5.311 5.217 -7.815 1.00 15.00 C ATOM 520 O GLN A 461 -5.624 6.307 -8.291 1.00 15.00 O ATOM 521 CB GLN A 461 -4.911 3.652 -9.734 1.00 15.00 C ATOM 522 CG GLN A 461 -3.914 2.868 -10.567 1.00 15.00 C ATOM 523 CD GLN A 461 -2.818 3.750 -11.129 1.00 15.00 C ATOM 524 OE1 GLN A 461 -1.779 3.954 -10.496 1.00 15.00 O ATOM 525 NE2 GLN A 461 -3.045 4.282 -12.315 1.00 15.00 N ATOM 0 H GLN A 461 -4.043 2.384 -7.779 1.00 15.00 H new ATOM 0 HA GLN A 461 -3.463 4.967 -8.852 1.00 15.00 H new ATOM 0 HB2 GLN A 461 -5.701 2.980 -9.398 1.00 15.00 H new ATOM 0 HB3 GLN A 461 -5.382 4.409 -10.361 1.00 15.00 H new ATOM 0 HG2 GLN A 461 -3.469 2.084 -9.955 1.00 15.00 H new ATOM 0 HG3 GLN A 461 -4.437 2.374 -11.386 1.00 15.00 H new ATOM 0 HE21 GLN A 461 -3.919 4.086 -12.803 1.00 15.00 H new ATOM 0 HE22 GLN A 461 -2.347 4.889 -12.744 1.00 15.00 H new ATOM 534 N GLU A 462 -5.846 4.741 -6.696 1.00 15.00 N ATOM 535 CA GLU A 462 -6.785 5.532 -5.907 1.00 15.00 C ATOM 536 C GLU A 462 -6.021 6.484 -4.991 1.00 15.00 C ATOM 537 O GLU A 462 -6.553 7.487 -4.520 1.00 15.00 O ATOM 538 CB GLU A 462 -7.707 4.621 -5.085 1.00 15.00 C ATOM 539 CG GLU A 462 -6.974 3.744 -4.078 1.00 15.00 C ATOM 540 CD GLU A 462 -7.273 4.126 -2.636 1.00 15.00 C ATOM 541 OE1 GLU A 462 -7.188 5.326 -2.303 1.00 15.00 O ATOM 542 OE2 GLU A 462 -7.590 3.226 -1.830 1.00 15.00 O ATOM 0 H GLU A 462 -5.647 3.816 -6.316 1.00 15.00 H new ATOM 0 HA GLU A 462 -7.405 6.116 -6.587 1.00 15.00 H new ATOM 0 HB2 GLU A 462 -8.432 5.238 -4.554 1.00 15.00 H new ATOM 0 HB3 GLU A 462 -8.270 3.982 -5.765 1.00 15.00 H new ATOM 0 HG2 GLU A 462 -7.253 2.703 -4.239 1.00 15.00 H new ATOM 0 HG3 GLU A 462 -5.901 3.817 -4.253 1.00 15.00 H new ATOM 549 N LEU A 463 -4.767 6.141 -4.742 1.00 15.00 N ATOM 550 CA LEU A 463 -3.900 6.924 -3.880 1.00 15.00 C ATOM 551 C LEU A 463 -2.687 7.393 -4.678 1.00 15.00 C ATOM 552 O LEU A 463 -1.601 7.581 -4.135 1.00 15.00 O ATOM 553 CB LEU A 463 -3.472 6.066 -2.686 1.00 15.00 C ATOM 554 CG LEU A 463 -2.744 6.806 -1.561 1.00 15.00 C ATOM 555 CD1 LEU A 463 -3.624 7.902 -0.981 1.00 15.00 C ATOM 556 CD2 LEU A 463 -2.325 5.827 -0.479 1.00 15.00 C ATOM 0 H LEU A 463 -4.322 5.310 -5.133 1.00 15.00 H new ATOM 0 HA LEU A 463 -4.429 7.801 -3.507 1.00 15.00 H new ATOM 0 HB2 LEU A 463 -4.359 5.590 -2.268 1.00 15.00 H new ATOM 0 HB3 LEU A 463 -2.824 5.268 -3.049 1.00 15.00 H new ATOM 0 HG LEU A 463 -1.850 7.274 -1.974 1.00 15.00 H new ATOM 0 HD11 LEU A 463 -3.087 8.415 -0.183 1.00 15.00 H new ATOM 0 HD12 LEU A 463 -3.880 8.616 -1.764 1.00 15.00 H new ATOM 0 HD13 LEU A 463 -4.537 7.462 -0.580 1.00 15.00 H new ATOM 0 HD21 LEU A 463 -1.808 6.363 0.317 1.00 15.00 H new ATOM 0 HD22 LEU A 463 -3.208 5.336 -0.071 1.00 15.00 H new ATOM 0 HD23 LEU A 463 -1.657 5.078 -0.905 1.00 15.00 H new ATOM 568 N LYS A 464 -2.903 7.600 -5.974 1.00 15.00 N ATOM 569 CA LYS A 464 -1.844 8.006 -6.893 1.00 15.00 C ATOM 570 C LYS A 464 -1.233 9.332 -6.453 1.00 15.00 C ATOM 571 O LYS A 464 -1.896 10.370 -6.610 1.00 15.00 O ATOM 572 CB LYS A 464 -2.406 8.130 -8.317 1.00 15.00 C ATOM 573 CG LYS A 464 -1.416 8.659 -9.351 1.00 15.00 C ATOM 574 CD LYS A 464 -0.742 7.549 -10.155 1.00 15.00 C ATOM 575 CE LYS A 464 0.194 6.690 -9.314 1.00 15.00 C ATOM 576 NZ LYS A 464 -0.500 5.525 -8.701 1.00 15.00 N ATOM 577 OXT LYS A 464 -0.087 9.328 -5.960 1.00 15.00 O ATOM 0 H LYS A 464 -3.816 7.491 -6.416 1.00 15.00 H new ATOM 0 HA LYS A 464 -1.063 7.246 -6.883 1.00 15.00 H new ATOM 0 HB2 LYS A 464 -2.759 7.151 -8.640 1.00 15.00 H new ATOM 0 HB3 LYS A 464 -3.273 8.790 -8.294 1.00 15.00 H new ATOM 0 HG2 LYS A 464 -1.937 9.330 -10.034 1.00 15.00 H new ATOM 0 HG3 LYS A 464 -0.652 9.249 -8.845 1.00 15.00 H new ATOM 0 HD2 LYS A 464 -1.508 6.914 -10.600 1.00 15.00 H new ATOM 0 HD3 LYS A 464 -0.179 7.993 -10.976 1.00 15.00 H new ATOM 0 HE2 LYS A 464 1.014 6.334 -9.938 1.00 15.00 H new ATOM 0 HE3 LYS A 464 0.635 7.302 -8.527 1.00 15.00 H new ATOM 0 HZ1 LYS A 464 0.189 4.945 -8.181 1.00 15.00 H new ATOM 0 HZ2 LYS A 464 -1.233 5.863 -8.045 1.00 15.00 H new ATOM 0 HZ3 LYS A 464 -0.942 4.952 -9.448 1.00 15.00 H new