USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 314 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 401 HIS HE2 : A 401 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 405 HIS HE2 : A 405 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 374 SER OG : rot 180:sc= 0 USER MOD Single : A 375 SER OG : rot 180:sc= 0 USER MOD Single : A 377 SER OG : rot 180:sc= 0 USER MOD Single : A 378 SER OG : rot 180:sc= 0 USER MOD Single : A 381 LYS NZ :NH3+ -144:sc= 0.648 (180deg=-0.216) USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 384 SER OG : rot -92:sc= 0.55 USER MOD Single : A 393 LYS NZ :NH3+ 147:sc= -0.128 (180deg=-0.736) USER MOD Single : A 395 LYS NZ :NH3+ -164:sc=-0.00192 (180deg=-0.111) USER MOD Single : A 398 MET CE :methyl -138:sc= -1.85 (180deg=-4.91!) USER MOD Single : A 399 SER OG : rot 180:sc= 0 USER MOD Single : A 400 TYR OH : rot 180:sc= 0 USER MOD Single : A 404 SER OG : rot 63:sc= 0.78 USER MOD Single : A 408 SER OG : rot 180:sc= 0 USER MOD Single : A 411 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot 180:sc= 0 USER MOD Single : A 416 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 373 2.777 18.184 -10.887 1.00 0.00 N ATOM 2 CA GLY A 373 1.731 19.189 -10.905 1.00 0.00 C ATOM 3 C GLY A 373 1.274 19.575 -9.512 1.00 0.00 C ATOM 4 O GLY A 373 1.371 20.738 -9.120 1.00 0.00 O ATOM 0 HA2 GLY A 373 2.093 20.076 -11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 373 0.880 18.813 -11.472 1.00 0.00 H new ATOM 8 N SER A 374 0.774 18.598 -8.763 1.00 0.00 N ATOM 9 CA SER A 374 0.295 18.842 -7.407 1.00 0.00 C ATOM 10 C SER A 374 1.420 18.660 -6.393 1.00 0.00 C ATOM 11 O SER A 374 2.542 18.301 -6.751 1.00 0.00 O ATOM 12 CB SER A 374 -0.864 17.901 -7.075 1.00 0.00 C ATOM 13 OG SER A 374 -2.037 18.268 -7.781 1.00 0.00 O ATOM 0 H SER A 374 0.690 17.630 -9.072 1.00 0.00 H new ATOM 0 HA SER A 374 -0.057 19.872 -7.352 1.00 0.00 H new ATOM 0 HB2 SER A 374 -0.589 16.877 -7.328 1.00 0.00 H new ATOM 0 HB3 SER A 374 -1.059 17.923 -6.003 1.00 0.00 H new ATOM 0 HG SER A 374 -2.763 17.650 -7.553 1.00 0.00 H new ATOM 19 N SER A 375 1.111 18.910 -5.124 1.00 0.00 N ATOM 20 CA SER A 375 2.095 18.777 -4.057 1.00 0.00 C ATOM 21 C SER A 375 1.564 17.891 -2.934 1.00 0.00 C ATOM 22 O SER A 375 0.382 17.550 -2.904 1.00 0.00 O ATOM 23 CB SER A 375 2.467 20.154 -3.503 1.00 0.00 C ATOM 24 OG SER A 375 3.789 20.158 -2.992 1.00 0.00 O ATOM 0 H SER A 375 0.187 19.206 -4.810 1.00 0.00 H new ATOM 0 HA SER A 375 2.986 18.308 -4.475 1.00 0.00 H new ATOM 0 HB2 SER A 375 2.376 20.903 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 375 1.768 20.433 -2.715 1.00 0.00 H new ATOM 0 HG SER A 375 4.003 21.049 -2.646 1.00 0.00 H new ATOM 30 N GLY A 376 2.447 17.521 -2.012 1.00 0.00 N ATOM 31 CA GLY A 376 2.049 16.677 -0.900 1.00 0.00 C ATOM 32 C GLY A 376 2.585 15.265 -1.023 1.00 0.00 C ATOM 33 O GLY A 376 3.151 14.723 -0.074 1.00 0.00 O ATOM 0 H GLY A 376 3.431 17.790 -2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 376 2.404 17.117 0.032 1.00 0.00 H new ATOM 0 HA3 GLY A 376 0.961 16.646 -0.843 1.00 0.00 H new ATOM 37 N SER A 377 2.405 14.665 -2.196 1.00 0.00 N ATOM 38 CA SER A 377 2.870 13.304 -2.438 1.00 0.00 C ATOM 39 C SER A 377 4.143 13.307 -3.278 1.00 0.00 C ATOM 40 O SER A 377 4.281 12.524 -4.218 1.00 0.00 O ATOM 41 CB SER A 377 1.783 12.489 -3.141 1.00 0.00 C ATOM 42 OG SER A 377 0.719 12.186 -2.255 1.00 0.00 O ATOM 0 H SER A 377 1.941 15.100 -2.993 1.00 0.00 H new ATOM 0 HA SER A 377 3.092 12.845 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 377 1.401 13.047 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 377 2.211 11.565 -3.530 1.00 0.00 H new ATOM 0 HG SER A 377 0.037 11.666 -2.729 1.00 0.00 H new ATOM 48 N SER A 378 5.072 14.193 -2.931 1.00 0.00 N ATOM 49 CA SER A 378 6.333 14.301 -3.655 1.00 0.00 C ATOM 50 C SER A 378 7.372 13.341 -3.083 1.00 0.00 C ATOM 51 O SER A 378 8.016 13.633 -2.077 1.00 0.00 O ATOM 52 CB SER A 378 6.860 15.736 -3.593 1.00 0.00 C ATOM 53 OG SER A 378 5.994 16.626 -4.276 1.00 0.00 O ATOM 0 H SER A 378 4.975 14.846 -2.153 1.00 0.00 H new ATOM 0 HA SER A 378 6.150 14.033 -4.696 1.00 0.00 H new ATOM 0 HB2 SER A 378 6.959 16.046 -2.553 1.00 0.00 H new ATOM 0 HB3 SER A 378 7.855 15.781 -4.035 1.00 0.00 H new ATOM 0 HG SER A 378 6.351 17.537 -4.221 1.00 0.00 H new ATOM 59 N GLY A 379 7.529 12.192 -3.734 1.00 0.00 N ATOM 60 CA GLY A 379 8.490 11.205 -3.276 1.00 0.00 C ATOM 61 C GLY A 379 8.392 9.901 -4.043 1.00 0.00 C ATOM 62 O GLY A 379 7.351 9.592 -4.622 1.00 0.00 O ATOM 0 H GLY A 379 7.008 11.927 -4.570 1.00 0.00 H new ATOM 0 HA2 GLY A 379 9.497 11.608 -3.379 1.00 0.00 H new ATOM 0 HA3 GLY A 379 8.330 11.012 -2.215 1.00 0.00 H new ATOM 66 N GLU A 380 9.479 9.137 -4.048 1.00 0.00 N ATOM 67 CA GLU A 380 9.511 7.860 -4.752 1.00 0.00 C ATOM 68 C GLU A 380 8.818 6.772 -3.938 1.00 0.00 C ATOM 69 O GLU A 380 9.000 6.677 -2.724 1.00 0.00 O ATOM 70 CB GLU A 380 10.956 7.450 -5.046 1.00 0.00 C ATOM 71 CG GLU A 380 11.571 8.189 -6.223 1.00 0.00 C ATOM 72 CD GLU A 380 11.916 9.628 -5.893 1.00 0.00 C ATOM 73 OE1 GLU A 380 12.508 9.864 -4.819 1.00 0.00 O ATOM 74 OE2 GLU A 380 11.595 10.517 -6.708 1.00 0.00 O ATOM 0 H GLU A 380 10.349 9.379 -3.573 1.00 0.00 H new ATOM 0 HA GLU A 380 8.976 7.981 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 380 11.563 7.628 -4.158 1.00 0.00 H new ATOM 0 HB3 GLU A 380 10.988 6.379 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 380 12.473 7.667 -6.543 1.00 0.00 H new ATOM 0 HG3 GLU A 380 10.876 8.169 -7.063 1.00 0.00 H new ATOM 81 N LYS A 381 8.021 5.952 -4.615 1.00 0.00 N ATOM 82 CA LYS A 381 7.299 4.870 -3.956 1.00 0.00 C ATOM 83 C LYS A 381 7.151 3.670 -4.887 1.00 0.00 C ATOM 84 O LYS A 381 6.072 3.390 -5.410 1.00 0.00 O ATOM 85 CB LYS A 381 5.919 5.351 -3.503 1.00 0.00 C ATOM 86 CG LYS A 381 5.908 5.934 -2.101 1.00 0.00 C ATOM 87 CD LYS A 381 5.339 4.950 -1.092 1.00 0.00 C ATOM 88 CE LYS A 381 6.440 4.148 -0.415 1.00 0.00 C ATOM 89 NZ LYS A 381 6.254 4.089 1.062 1.00 0.00 N ATOM 0 H LYS A 381 7.859 6.016 -5.620 1.00 0.00 H new ATOM 0 HA LYS A 381 7.874 4.562 -3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 381 5.558 6.104 -4.203 1.00 0.00 H new ATOM 0 HB3 LYS A 381 5.220 4.515 -3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 381 6.923 6.207 -1.812 1.00 0.00 H new ATOM 0 HG3 LYS A 381 5.316 6.849 -2.091 1.00 0.00 H new ATOM 0 HD2 LYS A 381 4.765 5.490 -0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 381 4.649 4.272 -1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 381 6.454 3.136 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 381 7.408 4.596 -0.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 381 7.182 4.117 1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 381 5.684 4.902 1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 381 5.765 3.207 1.315 1.00 0.00 H new ATOM 103 N PRO A 382 8.258 2.943 -5.098 1.00 0.00 N ATOM 104 CA PRO A 382 8.276 1.761 -5.964 1.00 0.00 C ATOM 105 C PRO A 382 7.504 0.591 -5.364 1.00 0.00 C ATOM 106 O PRO A 382 7.174 -0.370 -6.059 1.00 0.00 O ATOM 107 CB PRO A 382 9.765 1.422 -6.071 1.00 0.00 C ATOM 108 CG PRO A 382 10.371 1.984 -4.832 1.00 0.00 C ATOM 109 CD PRO A 382 9.578 3.220 -4.507 1.00 0.00 C ATOM 0 HA PRO A 382 7.799 1.952 -6.925 1.00 0.00 H new ATOM 0 HB2 PRO A 382 9.922 0.345 -6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 382 10.208 1.863 -6.964 1.00 0.00 H new ATOM 0 HG2 PRO A 382 10.325 1.265 -4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 382 11.423 2.225 -4.986 1.00 0.00 H new ATOM 0 HD2 PRO A 382 9.511 3.383 -3.431 1.00 0.00 H new ATOM 0 HD3 PRO A 382 10.031 4.113 -4.937 1.00 0.00 H new ATOM 117 N TYR A 383 7.220 0.678 -4.069 1.00 0.00 N ATOM 118 CA TYR A 383 6.488 -0.375 -3.375 1.00 0.00 C ATOM 119 C TYR A 383 5.100 0.106 -2.964 1.00 0.00 C ATOM 120 O TYR A 383 4.856 0.408 -1.796 1.00 0.00 O ATOM 121 CB TYR A 383 7.266 -0.837 -2.141 1.00 0.00 C ATOM 122 CG TYR A 383 8.737 -1.067 -2.404 1.00 0.00 C ATOM 123 CD1 TYR A 383 9.164 -1.719 -3.553 1.00 0.00 C ATOM 124 CD2 TYR A 383 9.700 -0.630 -1.502 1.00 0.00 C ATOM 125 CE1 TYR A 383 10.507 -1.932 -3.797 1.00 0.00 C ATOM 126 CE2 TYR A 383 11.045 -0.837 -1.738 1.00 0.00 C ATOM 127 CZ TYR A 383 11.444 -1.489 -2.887 1.00 0.00 C ATOM 128 OH TYR A 383 12.783 -1.698 -3.126 1.00 0.00 O ATOM 0 H TYR A 383 7.485 1.467 -3.479 1.00 0.00 H new ATOM 0 HA TYR A 383 6.373 -1.215 -4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 383 7.159 -0.091 -1.354 1.00 0.00 H new ATOM 0 HB3 TYR A 383 6.823 -1.760 -1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 383 8.433 -2.066 -4.269 1.00 0.00 H new ATOM 0 HD2 TYR A 383 9.391 -0.120 -0.601 1.00 0.00 H new ATOM 0 HE1 TYR A 383 10.821 -2.443 -4.695 1.00 0.00 H new ATOM 0 HE2 TYR A 383 11.781 -0.490 -1.027 1.00 0.00 H new ATOM 0 HH TYR A 383 13.309 -1.324 -2.389 1.00 0.00 H new ATOM 138 N SER A 384 4.193 0.174 -3.934 1.00 0.00 N ATOM 139 CA SER A 384 2.830 0.621 -3.676 1.00 0.00 C ATOM 140 C SER A 384 1.818 -0.324 -4.317 1.00 0.00 C ATOM 141 O SER A 384 2.188 -1.310 -4.955 1.00 0.00 O ATOM 142 CB SER A 384 2.626 2.041 -4.207 1.00 0.00 C ATOM 143 OG SER A 384 3.368 2.251 -5.397 1.00 0.00 O ATOM 0 H SER A 384 4.378 -0.075 -4.906 1.00 0.00 H new ATOM 0 HA SER A 384 2.672 0.618 -2.598 1.00 0.00 H new ATOM 0 HB2 SER A 384 1.567 2.212 -4.400 1.00 0.00 H new ATOM 0 HB3 SER A 384 2.933 2.763 -3.451 1.00 0.00 H new ATOM 0 HG SER A 384 4.246 2.625 -5.173 1.00 0.00 H new ATOM 149 N CYS A 385 0.537 -0.016 -4.142 1.00 0.00 N ATOM 150 CA CYS A 385 -0.531 -0.836 -4.702 1.00 0.00 C ATOM 151 C CYS A 385 -1.499 0.015 -5.518 1.00 0.00 C ATOM 152 O CYS A 385 -2.616 0.309 -5.093 1.00 0.00 O ATOM 153 CB CYS A 385 -1.286 -1.558 -3.584 1.00 0.00 C ATOM 154 SG CYS A 385 -2.328 -2.937 -4.162 1.00 0.00 S ATOM 0 H CYS A 385 0.213 0.796 -3.616 1.00 0.00 H new ATOM 0 HA CYS A 385 -0.080 -1.576 -5.363 1.00 0.00 H new ATOM 0 HB2 CYS A 385 -0.565 -1.939 -2.861 1.00 0.00 H new ATOM 0 HB3 CYS A 385 -1.913 -0.837 -3.059 1.00 0.00 H new ATOM 159 N PRO A 386 -1.062 0.420 -6.720 1.00 0.00 N ATOM 160 CA PRO A 386 -1.874 1.242 -7.622 1.00 0.00 C ATOM 161 C PRO A 386 -3.055 0.472 -8.203 1.00 0.00 C ATOM 162 O PRO A 386 -3.930 1.050 -8.846 1.00 0.00 O ATOM 163 CB PRO A 386 -0.891 1.630 -8.730 1.00 0.00 C ATOM 164 CG PRO A 386 0.134 0.549 -8.722 1.00 0.00 C ATOM 165 CD PRO A 386 0.259 0.107 -7.290 1.00 0.00 C ATOM 0 HA PRO A 386 -2.317 2.095 -7.108 1.00 0.00 H new ATOM 0 HB2 PRO A 386 -1.390 1.695 -9.697 1.00 0.00 H new ATOM 0 HB3 PRO A 386 -0.441 2.604 -8.537 1.00 0.00 H new ATOM 0 HG2 PRO A 386 -0.169 -0.280 -9.361 1.00 0.00 H new ATOM 0 HG3 PRO A 386 1.088 0.913 -9.103 1.00 0.00 H new ATOM 0 HD2 PRO A 386 0.487 -0.956 -7.216 1.00 0.00 H new ATOM 0 HD3 PRO A 386 1.056 0.641 -6.773 1.00 0.00 H new ATOM 173 N VAL A 387 -3.073 -0.837 -7.971 1.00 0.00 N ATOM 174 CA VAL A 387 -4.148 -1.687 -8.470 1.00 0.00 C ATOM 175 C VAL A 387 -5.468 -1.366 -7.779 1.00 0.00 C ATOM 176 O VAL A 387 -6.520 -1.321 -8.417 1.00 0.00 O ATOM 177 CB VAL A 387 -3.824 -3.179 -8.267 1.00 0.00 C ATOM 178 CG1 VAL A 387 -4.969 -4.047 -8.765 1.00 0.00 C ATOM 179 CG2 VAL A 387 -2.524 -3.542 -8.970 1.00 0.00 C ATOM 0 H VAL A 387 -2.356 -1.332 -7.441 1.00 0.00 H new ATOM 0 HA VAL A 387 -4.242 -1.485 -9.537 1.00 0.00 H new ATOM 0 HB VAL A 387 -3.698 -3.364 -7.200 1.00 0.00 H new ATOM 0 HG11 VAL A 387 -4.722 -5.098 -8.613 1.00 0.00 H new ATOM 0 HG12 VAL A 387 -5.877 -3.804 -8.212 1.00 0.00 H new ATOM 0 HG13 VAL A 387 -5.131 -3.862 -9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 387 -2.310 -4.600 -8.816 1.00 0.00 H new ATOM 0 HG22 VAL A 387 -2.620 -3.343 -10.037 1.00 0.00 H new ATOM 0 HG23 VAL A 387 -1.710 -2.944 -8.561 1.00 0.00 H new ATOM 189 N CYS A 388 -5.406 -1.144 -6.470 1.00 0.00 N ATOM 190 CA CYS A 388 -6.596 -0.827 -5.690 1.00 0.00 C ATOM 191 C CYS A 388 -6.498 0.574 -5.094 1.00 0.00 C ATOM 192 O CYS A 388 -7.512 1.214 -4.816 1.00 0.00 O ATOM 193 CB CYS A 388 -6.789 -1.856 -4.575 1.00 0.00 C ATOM 194 SG CYS A 388 -5.581 -1.717 -3.218 1.00 0.00 S ATOM 0 H CYS A 388 -4.543 -1.178 -5.927 1.00 0.00 H new ATOM 0 HA CYS A 388 -7.457 -0.859 -6.357 1.00 0.00 H new ATOM 0 HB2 CYS A 388 -7.793 -1.748 -4.166 1.00 0.00 H new ATOM 0 HB3 CYS A 388 -6.725 -2.856 -5.003 1.00 0.00 H new ATOM 199 N GLY A 389 -5.270 1.045 -4.901 1.00 0.00 N ATOM 200 CA GLY A 389 -5.062 2.367 -4.339 1.00 0.00 C ATOM 201 C GLY A 389 -4.627 2.318 -2.888 1.00 0.00 C ATOM 202 O GLY A 389 -5.409 2.623 -1.987 1.00 0.00 O ATOM 0 H GLY A 389 -4.415 0.535 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 389 -4.307 2.892 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 389 -5.985 2.942 -4.419 1.00 0.00 H new ATOM 206 N LEU A 390 -3.376 1.934 -2.660 1.00 0.00 N ATOM 207 CA LEU A 390 -2.837 1.844 -1.307 1.00 0.00 C ATOM 208 C LEU A 390 -1.324 1.659 -1.335 1.00 0.00 C ATOM 209 O LEU A 390 -0.827 0.578 -1.653 1.00 0.00 O ATOM 210 CB LEU A 390 -3.491 0.685 -0.552 1.00 0.00 C ATOM 211 CG LEU A 390 -3.404 0.744 0.973 1.00 0.00 C ATOM 212 CD1 LEU A 390 -4.557 -0.022 1.603 1.00 0.00 C ATOM 213 CD2 LEU A 390 -2.070 0.191 1.452 1.00 0.00 C ATOM 0 H LEU A 390 -2.715 1.680 -3.395 1.00 0.00 H new ATOM 0 HA LEU A 390 -3.060 2.777 -0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 390 -4.543 0.641 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 390 -3.032 -0.245 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 390 -3.475 1.787 1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 390 -4.479 0.031 2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 390 -5.503 0.418 1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 390 -4.517 -1.064 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 390 -2.025 0.241 2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 390 -1.970 -0.846 1.132 1.00 0.00 H new ATOM 0 HD23 LEU A 390 -1.258 0.782 1.028 1.00 0.00 H new ATOM 225 N ARG A 391 -0.597 2.718 -0.996 1.00 0.00 N ATOM 226 CA ARG A 391 0.861 2.672 -0.981 1.00 0.00 C ATOM 227 C ARG A 391 1.363 1.698 0.081 1.00 0.00 C ATOM 228 O ARG A 391 0.611 1.286 0.965 1.00 0.00 O ATOM 229 CB ARG A 391 1.434 4.066 -0.722 1.00 0.00 C ATOM 230 CG ARG A 391 1.435 4.963 -1.949 1.00 0.00 C ATOM 231 CD ARG A 391 1.924 6.363 -1.616 1.00 0.00 C ATOM 232 NE ARG A 391 0.835 7.233 -1.177 1.00 0.00 N ATOM 233 CZ ARG A 391 1.026 8.408 -0.588 1.00 0.00 C ATOM 234 NH1 ARG A 391 2.255 8.851 -0.367 1.00 0.00 N ATOM 235 NH2 ARG A 391 -0.016 9.142 -0.217 1.00 0.00 N ATOM 0 H ARG A 391 -0.993 3.619 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 391 1.199 2.324 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 391 0.856 4.546 0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 391 2.455 3.967 -0.354 1.00 0.00 H new ATOM 0 HG2 ARG A 391 2.072 4.528 -2.719 1.00 0.00 H new ATOM 0 HG3 ARG A 391 0.428 5.017 -2.362 1.00 0.00 H new ATOM 0 HD2 ARG A 391 2.681 6.306 -0.833 1.00 0.00 H new ATOM 0 HD3 ARG A 391 2.404 6.797 -2.493 1.00 0.00 H new ATOM 0 HE ARG A 391 -0.124 6.921 -1.331 1.00 0.00 H new ATOM 0 HH11 ARG A 391 3.058 8.289 -0.649 1.00 0.00 H new ATOM 0 HH12 ARG A 391 2.398 9.754 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 391 -0.964 8.804 -0.384 1.00 0.00 H new ATOM 0 HH22 ARG A 391 0.131 10.044 0.235 1.00 0.00 H new ATOM 249 N PHE A 392 2.637 1.333 -0.013 1.00 0.00 N ATOM 250 CA PHE A 392 3.239 0.407 0.938 1.00 0.00 C ATOM 251 C PHE A 392 4.653 0.848 1.306 1.00 0.00 C ATOM 252 O PHE A 392 5.339 1.498 0.517 1.00 0.00 O ATOM 253 CB PHE A 392 3.269 -1.008 0.355 1.00 0.00 C ATOM 254 CG PHE A 392 2.053 -1.822 0.694 1.00 0.00 C ATOM 255 CD1 PHE A 392 0.825 -1.524 0.127 1.00 0.00 C ATOM 256 CD2 PHE A 392 2.139 -2.884 1.580 1.00 0.00 C ATOM 257 CE1 PHE A 392 -0.296 -2.272 0.436 1.00 0.00 C ATOM 258 CE2 PHE A 392 1.022 -3.635 1.892 1.00 0.00 C ATOM 259 CZ PHE A 392 -0.198 -3.328 1.321 1.00 0.00 C ATOM 0 H PHE A 392 3.273 1.665 -0.739 1.00 0.00 H new ATOM 0 HA PHE A 392 2.631 0.407 1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 392 3.363 -0.944 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 392 4.156 -1.525 0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 392 0.742 -0.698 -0.564 1.00 0.00 H new ATOM 0 HD2 PHE A 392 3.089 -3.127 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 392 -1.248 -2.031 -0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 392 1.103 -4.462 2.582 1.00 0.00 H new ATOM 0 HZ PHE A 392 -1.073 -3.912 1.566 1.00 0.00 H new ATOM 269 N LYS A 393 5.083 0.490 2.511 1.00 0.00 N ATOM 270 CA LYS A 393 6.414 0.846 2.986 1.00 0.00 C ATOM 271 C LYS A 393 7.351 -0.356 2.933 1.00 0.00 C ATOM 272 O LYS A 393 8.560 -0.206 2.753 1.00 0.00 O ATOM 273 CB LYS A 393 6.341 1.386 4.417 1.00 0.00 C ATOM 274 CG LYS A 393 5.544 0.501 5.360 1.00 0.00 C ATOM 275 CD LYS A 393 5.514 1.072 6.768 1.00 0.00 C ATOM 276 CE LYS A 393 5.250 -0.011 7.803 1.00 0.00 C ATOM 277 NZ LYS A 393 6.421 -0.916 7.969 1.00 0.00 N ATOM 0 H LYS A 393 4.528 -0.047 3.177 1.00 0.00 H new ATOM 0 HA LYS A 393 6.810 1.622 2.331 1.00 0.00 H new ATOM 0 HB2 LYS A 393 7.353 1.499 4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 393 5.894 2.380 4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 393 4.525 0.395 4.987 1.00 0.00 H new ATOM 0 HG3 LYS A 393 5.981 -0.497 5.380 1.00 0.00 H new ATOM 0 HD2 LYS A 393 6.465 1.560 6.984 1.00 0.00 H new ATOM 0 HD3 LYS A 393 4.741 1.837 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 393 5.010 0.452 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 393 4.379 -0.595 7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 393 6.473 -1.238 8.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 393 6.316 -1.738 7.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 393 7.293 -0.404 7.725 1.00 0.00 H new ATOM 291 N ARG A 394 6.785 -1.549 3.089 1.00 0.00 N ATOM 292 CA ARG A 394 7.570 -2.777 3.059 1.00 0.00 C ATOM 293 C ARG A 394 7.630 -3.349 1.646 1.00 0.00 C ATOM 294 O ARG A 394 6.683 -3.217 0.870 1.00 0.00 O ATOM 295 CB ARG A 394 6.975 -3.812 4.015 1.00 0.00 C ATOM 296 CG ARG A 394 7.354 -3.587 5.469 1.00 0.00 C ATOM 297 CD ARG A 394 8.739 -4.136 5.775 1.00 0.00 C ATOM 298 NE ARG A 394 9.785 -3.145 5.538 1.00 0.00 N ATOM 299 CZ ARG A 394 11.053 -3.316 5.895 1.00 0.00 C ATOM 300 NH1 ARG A 394 11.430 -4.433 6.501 1.00 0.00 N ATOM 301 NH2 ARG A 394 11.948 -2.368 5.645 1.00 0.00 N ATOM 0 H ARG A 394 5.786 -1.691 3.237 1.00 0.00 H new ATOM 0 HA ARG A 394 8.584 -2.538 3.379 1.00 0.00 H new ATOM 0 HB2 ARG A 394 5.889 -3.795 3.925 1.00 0.00 H new ATOM 0 HB3 ARG A 394 7.305 -4.806 3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 394 7.327 -2.520 5.692 1.00 0.00 H new ATOM 0 HG3 ARG A 394 6.620 -4.067 6.116 1.00 0.00 H new ATOM 0 HD2 ARG A 394 8.778 -4.463 6.814 1.00 0.00 H new ATOM 0 HD3 ARG A 394 8.925 -5.015 5.157 1.00 0.00 H new ATOM 0 HE ARG A 394 9.528 -2.274 5.073 1.00 0.00 H new ATOM 0 HH11 ARG A 394 10.746 -5.164 6.694 1.00 0.00 H new ATOM 0 HH12 ARG A 394 12.404 -4.561 6.774 1.00 0.00 H new ATOM 0 HH21 ARG A 394 11.662 -1.507 5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 394 12.921 -2.500 5.920 1.00 0.00 H new ATOM 315 N LYS A 395 8.750 -3.984 1.317 1.00 0.00 N ATOM 316 CA LYS A 395 8.934 -4.577 -0.002 1.00 0.00 C ATOM 317 C LYS A 395 8.379 -5.998 -0.043 1.00 0.00 C ATOM 318 O LYS A 395 7.997 -6.495 -1.102 1.00 0.00 O ATOM 319 CB LYS A 395 10.418 -4.588 -0.376 1.00 0.00 C ATOM 320 CG LYS A 395 10.671 -4.816 -1.857 1.00 0.00 C ATOM 321 CD LYS A 395 10.848 -6.292 -2.171 1.00 0.00 C ATOM 322 CE LYS A 395 12.307 -6.711 -2.073 1.00 0.00 C ATOM 323 NZ LYS A 395 13.111 -6.193 -3.216 1.00 0.00 N ATOM 0 H LYS A 395 9.544 -4.101 1.946 1.00 0.00 H new ATOM 0 HA LYS A 395 8.387 -3.971 -0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 395 10.865 -3.639 -0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 395 10.922 -5.368 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 395 9.837 -4.417 -2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 395 11.562 -4.268 -2.163 1.00 0.00 H new ATOM 0 HD2 LYS A 395 10.250 -6.886 -1.480 1.00 0.00 H new ATOM 0 HD3 LYS A 395 10.475 -6.499 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 395 12.728 -6.344 -1.137 1.00 0.00 H new ATOM 0 HE3 LYS A 395 12.372 -7.799 -2.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 14.013 -6.708 -3.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 12.583 -6.330 -4.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 13.298 -5.179 -3.078 1.00 0.00 H new ATOM 337 N ASP A 396 8.336 -6.644 1.117 1.00 0.00 N ATOM 338 CA ASP A 396 7.825 -8.006 1.214 1.00 0.00 C ATOM 339 C ASP A 396 6.308 -8.007 1.381 1.00 0.00 C ATOM 340 O ASP A 396 5.593 -8.689 0.647 1.00 0.00 O ATOM 341 CB ASP A 396 8.480 -8.737 2.387 1.00 0.00 C ATOM 342 CG ASP A 396 9.833 -9.317 2.026 1.00 0.00 C ATOM 343 OD1 ASP A 396 10.083 -9.533 0.821 1.00 0.00 O ATOM 344 OD2 ASP A 396 10.641 -9.555 2.947 1.00 0.00 O ATOM 0 H ASP A 396 8.649 -6.247 2.003 1.00 0.00 H new ATOM 0 HA ASP A 396 8.071 -8.527 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 396 8.595 -8.047 3.223 1.00 0.00 H new ATOM 0 HB3 ASP A 396 7.823 -9.539 2.724 1.00 0.00 H new ATOM 349 N ARG A 397 5.825 -7.239 2.352 1.00 0.00 N ATOM 350 CA ARG A 397 4.393 -7.153 2.617 1.00 0.00 C ATOM 351 C ARG A 397 3.636 -6.704 1.370 1.00 0.00 C ATOM 352 O ARG A 397 2.617 -7.290 1.007 1.00 0.00 O ATOM 353 CB ARG A 397 4.124 -6.182 3.768 1.00 0.00 C ATOM 354 CG ARG A 397 4.688 -6.646 5.101 1.00 0.00 C ATOM 355 CD ARG A 397 3.800 -6.220 6.260 1.00 0.00 C ATOM 356 NE ARG A 397 4.100 -4.862 6.707 1.00 0.00 N ATOM 357 CZ ARG A 397 3.759 -4.390 7.902 1.00 0.00 C ATOM 358 NH1 ARG A 397 3.112 -5.163 8.763 1.00 0.00 N ATOM 359 NH2 ARG A 397 4.067 -3.144 8.236 1.00 0.00 N ATOM 0 H ARG A 397 6.403 -6.668 2.968 1.00 0.00 H new ATOM 0 HA ARG A 397 4.040 -8.145 2.898 1.00 0.00 H new ATOM 0 HB2 ARG A 397 4.552 -5.211 3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 397 3.048 -6.040 3.868 1.00 0.00 H new ATOM 0 HG2 ARG A 397 4.787 -7.731 5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 397 5.688 -6.235 5.237 1.00 0.00 H new ATOM 0 HD2 ARG A 397 2.755 -6.280 5.957 1.00 0.00 H new ATOM 0 HD3 ARG A 397 3.931 -6.913 7.091 1.00 0.00 H new ATOM 0 HE ARG A 397 4.598 -4.243 6.068 1.00 0.00 H new ATOM 0 HH11 ARG A 397 2.875 -6.122 8.509 1.00 0.00 H new ATOM 0 HH12 ARG A 397 2.851 -4.799 9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 397 4.566 -2.547 7.576 1.00 0.00 H new ATOM 0 HH22 ARG A 397 3.805 -2.782 9.153 1.00 0.00 H new ATOM 373 N MET A 398 4.141 -5.660 0.721 1.00 0.00 N ATOM 374 CA MET A 398 3.513 -5.134 -0.485 1.00 0.00 C ATOM 375 C MET A 398 3.322 -6.234 -1.524 1.00 0.00 C ATOM 376 O MET A 398 2.324 -6.254 -2.245 1.00 0.00 O ATOM 377 CB MET A 398 4.357 -4.001 -1.073 1.00 0.00 C ATOM 378 CG MET A 398 5.718 -4.456 -1.575 1.00 0.00 C ATOM 379 SD MET A 398 5.727 -4.797 -3.345 1.00 0.00 S ATOM 380 CE MET A 398 7.460 -4.556 -3.728 1.00 0.00 C ATOM 0 H MET A 398 4.983 -5.162 1.010 1.00 0.00 H new ATOM 0 HA MET A 398 2.533 -4.743 -0.212 1.00 0.00 H new ATOM 0 HB2 MET A 398 3.810 -3.541 -1.896 1.00 0.00 H new ATOM 0 HB3 MET A 398 4.497 -3.231 -0.314 1.00 0.00 H new ATOM 0 HG2 MET A 398 6.458 -3.687 -1.353 1.00 0.00 H new ATOM 0 HG3 MET A 398 6.019 -5.353 -1.035 1.00 0.00 H new ATOM 0 HE1 MET A 398 7.553 -4.009 -4.666 1.00 0.00 H new ATOM 0 HE2 MET A 398 7.934 -3.987 -2.928 1.00 0.00 H new ATOM 0 HE3 MET A 398 7.950 -5.525 -3.823 1.00 0.00 H new ATOM 390 N SER A 399 4.285 -7.147 -1.596 1.00 0.00 N ATOM 391 CA SER A 399 4.225 -8.248 -2.550 1.00 0.00 C ATOM 392 C SER A 399 3.132 -9.241 -2.165 1.00 0.00 C ATOM 393 O SER A 399 2.596 -9.951 -3.016 1.00 0.00 O ATOM 394 CB SER A 399 5.576 -8.963 -2.622 1.00 0.00 C ATOM 395 OG SER A 399 5.572 -9.961 -3.628 1.00 0.00 O ATOM 0 H SER A 399 5.116 -7.146 -1.005 1.00 0.00 H new ATOM 0 HA SER A 399 3.988 -7.834 -3.530 1.00 0.00 H new ATOM 0 HB2 SER A 399 6.364 -8.238 -2.827 1.00 0.00 H new ATOM 0 HB3 SER A 399 5.803 -9.416 -1.657 1.00 0.00 H new ATOM 0 HG SER A 399 6.447 -10.402 -3.655 1.00 0.00 H new ATOM 401 N TYR A 400 2.808 -9.284 -0.878 1.00 0.00 N ATOM 402 CA TYR A 400 1.781 -10.191 -0.379 1.00 0.00 C ATOM 403 C TYR A 400 0.389 -9.596 -0.569 1.00 0.00 C ATOM 404 O TYR A 400 -0.601 -10.321 -0.673 1.00 0.00 O ATOM 405 CB TYR A 400 2.018 -10.499 1.101 1.00 0.00 C ATOM 406 CG TYR A 400 0.903 -11.295 1.740 1.00 0.00 C ATOM 407 CD1 TYR A 400 0.829 -12.674 1.583 1.00 0.00 C ATOM 408 CD2 TYR A 400 -0.078 -10.669 2.499 1.00 0.00 C ATOM 409 CE1 TYR A 400 -0.189 -13.405 2.165 1.00 0.00 C ATOM 410 CE2 TYR A 400 -1.098 -11.392 3.086 1.00 0.00 C ATOM 411 CZ TYR A 400 -1.150 -12.760 2.915 1.00 0.00 C ATOM 412 OH TYR A 400 -2.165 -13.484 3.497 1.00 0.00 O ATOM 0 H TYR A 400 3.241 -8.702 -0.161 1.00 0.00 H new ATOM 0 HA TYR A 400 1.842 -11.117 -0.951 1.00 0.00 H new ATOM 0 HB2 TYR A 400 2.952 -11.051 1.203 1.00 0.00 H new ATOM 0 HB3 TYR A 400 2.141 -9.562 1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 400 1.580 -13.183 0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 400 -0.042 -9.598 2.632 1.00 0.00 H new ATOM 0 HE1 TYR A 400 -0.232 -14.476 2.033 1.00 0.00 H new ATOM 0 HE2 TYR A 400 -1.851 -10.889 3.675 1.00 0.00 H new ATOM 0 HH TYR A 400 -2.757 -12.879 3.991 1.00 0.00 H new ATOM 422 N HIS A 401 0.321 -8.269 -0.615 1.00 0.00 N ATOM 423 CA HIS A 401 -0.948 -7.574 -0.794 1.00 0.00 C ATOM 424 C HIS A 401 -1.234 -7.337 -2.274 1.00 0.00 C ATOM 425 O HIS A 401 -2.280 -7.735 -2.787 1.00 0.00 O ATOM 426 CB HIS A 401 -0.934 -6.241 -0.046 1.00 0.00 C ATOM 427 CG HIS A 401 -2.147 -5.399 -0.298 1.00 0.00 C ATOM 428 ND1 HIS A 401 -3.384 -5.680 0.242 1.00 0.00 N ATOM 429 CD2 HIS A 401 -2.307 -4.276 -1.037 1.00 0.00 C ATOM 430 CE1 HIS A 401 -4.253 -4.768 -0.156 1.00 0.00 C ATOM 431 NE2 HIS A 401 -3.625 -3.904 -0.933 1.00 0.00 N ATOM 0 H HIS A 401 1.130 -7.654 -0.531 1.00 0.00 H new ATOM 0 HA HIS A 401 -1.739 -8.203 -0.385 1.00 0.00 H new ATOM 0 HB2 HIS A 401 -0.852 -6.435 1.024 1.00 0.00 H new ATOM 0 HB3 HIS A 401 -0.046 -5.680 -0.337 1.00 0.00 H new ATOM 0 HD1 HIS A 401 -3.595 -6.469 0.853 1.00 0.00 H new ATOM 0 HD2 HIS A 401 -1.541 -3.767 -1.603 1.00 0.00 H new ATOM 0 HE1 HIS A 401 -5.299 -4.735 0.109 1.00 0.00 H new ATOM 439 N VAL A 402 -0.297 -6.685 -2.955 1.00 0.00 N ATOM 440 CA VAL A 402 -0.448 -6.395 -4.376 1.00 0.00 C ATOM 441 C VAL A 402 -0.770 -7.660 -5.164 1.00 0.00 C ATOM 442 O VAL A 402 -1.445 -7.607 -6.192 1.00 0.00 O ATOM 443 CB VAL A 402 0.826 -5.752 -4.956 1.00 0.00 C ATOM 444 CG1 VAL A 402 0.660 -5.487 -6.445 1.00 0.00 C ATOM 445 CG2 VAL A 402 1.162 -4.469 -4.212 1.00 0.00 C ATOM 0 H VAL A 402 0.574 -6.348 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 402 -1.276 -5.692 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 402 1.655 -6.448 -4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 402 1.570 -5.033 -6.837 1.00 0.00 H new ATOM 0 HG12 VAL A 402 0.471 -6.427 -6.963 1.00 0.00 H new ATOM 0 HG13 VAL A 402 -0.180 -4.811 -6.603 1.00 0.00 H new ATOM 0 HG21 VAL A 402 2.065 -4.029 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 402 0.335 -3.765 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 402 1.327 -4.692 -3.158 1.00 0.00 H new ATOM 455 N ARG A 403 -0.283 -8.795 -4.675 1.00 0.00 N ATOM 456 CA ARG A 403 -0.519 -10.074 -5.333 1.00 0.00 C ATOM 457 C ARG A 403 -1.934 -10.575 -5.057 1.00 0.00 C ATOM 458 O ARG A 403 -2.543 -11.238 -5.897 1.00 0.00 O ATOM 459 CB ARG A 403 0.502 -11.111 -4.861 1.00 0.00 C ATOM 460 CG ARG A 403 1.831 -11.034 -5.594 1.00 0.00 C ATOM 461 CD ARG A 403 1.808 -11.850 -6.878 1.00 0.00 C ATOM 462 NE ARG A 403 3.140 -11.995 -7.459 1.00 0.00 N ATOM 463 CZ ARG A 403 3.367 -12.536 -8.650 1.00 0.00 C ATOM 464 NH1 ARG A 403 2.356 -12.981 -9.383 1.00 0.00 N ATOM 465 NH2 ARG A 403 4.608 -12.633 -9.111 1.00 0.00 N ATOM 0 H ARG A 403 0.278 -8.855 -3.825 1.00 0.00 H new ATOM 0 HA ARG A 403 -0.407 -9.927 -6.407 1.00 0.00 H new ATOM 0 HB2 ARG A 403 0.677 -10.976 -3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 403 0.082 -12.108 -4.992 1.00 0.00 H new ATOM 0 HG2 ARG A 403 2.060 -9.994 -5.827 1.00 0.00 H new ATOM 0 HG3 ARG A 403 2.627 -11.398 -4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 403 1.393 -12.837 -6.673 1.00 0.00 H new ATOM 0 HD3 ARG A 403 1.148 -11.370 -7.600 1.00 0.00 H new ATOM 0 HE ARG A 403 3.940 -11.662 -6.920 1.00 0.00 H new ATOM 0 HH11 ARG A 403 1.401 -12.908 -9.032 1.00 0.00 H new ATOM 0 HH12 ARG A 403 2.533 -13.396 -10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 403 5.389 -12.292 -8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 403 4.781 -13.049 -10.026 1.00 0.00 H new ATOM 479 N SER A 404 -2.449 -10.255 -3.875 1.00 0.00 N ATOM 480 CA SER A 404 -3.790 -10.676 -3.486 1.00 0.00 C ATOM 481 C SER A 404 -4.811 -10.294 -4.554 1.00 0.00 C ATOM 482 O SER A 404 -5.823 -10.971 -4.732 1.00 0.00 O ATOM 483 CB SER A 404 -4.177 -10.048 -2.146 1.00 0.00 C ATOM 484 OG SER A 404 -3.287 -10.449 -1.119 1.00 0.00 O ATOM 0 H SER A 404 -1.958 -9.705 -3.170 1.00 0.00 H new ATOM 0 HA SER A 404 -3.787 -11.761 -3.383 1.00 0.00 H new ATOM 0 HB2 SER A 404 -4.170 -8.962 -2.234 1.00 0.00 H new ATOM 0 HB3 SER A 404 -5.194 -10.340 -1.884 1.00 0.00 H new ATOM 0 HG SER A 404 -2.386 -10.122 -1.321 1.00 0.00 H new ATOM 490 N HIS A 405 -4.536 -9.203 -5.262 1.00 0.00 N ATOM 491 CA HIS A 405 -5.430 -8.729 -6.313 1.00 0.00 C ATOM 492 C HIS A 405 -5.315 -9.602 -7.558 1.00 0.00 C ATOM 493 O HIS A 405 -6.290 -10.219 -7.988 1.00 0.00 O ATOM 494 CB HIS A 405 -5.112 -7.275 -6.664 1.00 0.00 C ATOM 495 CG HIS A 405 -5.248 -6.335 -5.506 1.00 0.00 C ATOM 496 ND1 HIS A 405 -6.460 -6.030 -4.923 1.00 0.00 N ATOM 497 CD2 HIS A 405 -4.315 -5.633 -4.822 1.00 0.00 C ATOM 498 CE1 HIS A 405 -6.266 -5.179 -3.931 1.00 0.00 C ATOM 499 NE2 HIS A 405 -4.973 -4.923 -3.848 1.00 0.00 N ATOM 0 H HIS A 405 -3.702 -8.631 -5.127 1.00 0.00 H new ATOM 0 HA HIS A 405 -6.453 -8.790 -5.941 1.00 0.00 H new ATOM 0 HB2 HIS A 405 -4.094 -7.217 -7.050 1.00 0.00 H new ATOM 0 HB3 HIS A 405 -5.776 -6.950 -7.465 1.00 0.00 H new ATOM 0 HD1 HIS A 405 -7.364 -6.403 -5.212 1.00 0.00 H new ATOM 0 HD2 HIS A 405 -3.251 -5.631 -5.008 1.00 0.00 H new ATOM 0 HE1 HIS A 405 -7.034 -4.763 -3.296 1.00 0.00 H new ATOM 507 N ASP A 406 -4.118 -9.650 -8.133 1.00 0.00 N ATOM 508 CA ASP A 406 -3.876 -10.448 -9.330 1.00 0.00 C ATOM 509 C ASP A 406 -3.758 -11.928 -8.980 1.00 0.00 C ATOM 510 O ASP A 406 -2.656 -12.463 -8.864 1.00 0.00 O ATOM 511 CB ASP A 406 -2.605 -9.975 -10.036 1.00 0.00 C ATOM 512 CG ASP A 406 -2.586 -10.347 -11.505 1.00 0.00 C ATOM 513 OD1 ASP A 406 -3.552 -10.003 -12.216 1.00 0.00 O ATOM 514 OD2 ASP A 406 -1.605 -10.983 -11.944 1.00 0.00 O ATOM 0 H ASP A 406 -3.300 -9.146 -7.790 1.00 0.00 H new ATOM 0 HA ASP A 406 -4.724 -10.318 -10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 406 -2.519 -8.893 -9.937 1.00 0.00 H new ATOM 0 HB3 ASP A 406 -1.736 -10.410 -9.543 1.00 0.00 H new ATOM 519 N GLY A 407 -4.902 -12.585 -8.813 1.00 0.00 N ATOM 520 CA GLY A 407 -4.905 -13.997 -8.478 1.00 0.00 C ATOM 521 C GLY A 407 -4.886 -14.885 -9.706 1.00 0.00 C ATOM 522 O GLY A 407 -3.868 -14.988 -10.390 1.00 0.00 O ATOM 0 H GLY A 407 -5.827 -12.164 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 407 -4.037 -14.222 -7.858 1.00 0.00 H new ATOM 0 HA3 GLY A 407 -5.790 -14.224 -7.883 1.00 0.00 H new ATOM 526 N SER A 408 -6.015 -15.529 -9.985 1.00 0.00 N ATOM 527 CA SER A 408 -6.122 -16.418 -11.137 1.00 0.00 C ATOM 528 C SER A 408 -7.198 -15.928 -12.102 1.00 0.00 C ATOM 529 O SER A 408 -8.042 -16.703 -12.554 1.00 0.00 O ATOM 530 CB SER A 408 -6.441 -17.843 -10.680 1.00 0.00 C ATOM 531 OG SER A 408 -7.669 -17.889 -9.974 1.00 0.00 O ATOM 0 H SER A 408 -6.867 -15.452 -9.430 1.00 0.00 H new ATOM 0 HA SER A 408 -5.164 -16.417 -11.657 1.00 0.00 H new ATOM 0 HB2 SER A 408 -6.491 -18.503 -11.546 1.00 0.00 H new ATOM 0 HB3 SER A 408 -5.637 -18.212 -10.043 1.00 0.00 H new ATOM 0 HG SER A 408 -7.851 -18.810 -9.694 1.00 0.00 H new ATOM 537 N VAL A 409 -7.161 -14.637 -12.413 1.00 0.00 N ATOM 538 CA VAL A 409 -8.131 -14.042 -13.325 1.00 0.00 C ATOM 539 C VAL A 409 -7.443 -13.445 -14.547 1.00 0.00 C ATOM 540 O VAL A 409 -6.991 -12.301 -14.521 1.00 0.00 O ATOM 541 CB VAL A 409 -8.958 -12.945 -12.628 1.00 0.00 C ATOM 542 CG1 VAL A 409 -9.950 -12.325 -13.600 1.00 0.00 C ATOM 543 CG2 VAL A 409 -9.674 -13.510 -11.411 1.00 0.00 C ATOM 0 H VAL A 409 -6.470 -13.982 -12.047 1.00 0.00 H new ATOM 0 HA VAL A 409 -8.798 -14.843 -13.643 1.00 0.00 H new ATOM 0 HB VAL A 409 -8.279 -12.162 -12.291 1.00 0.00 H new ATOM 0 HG11 VAL A 409 -10.525 -11.552 -13.090 1.00 0.00 H new ATOM 0 HG12 VAL A 409 -9.411 -11.882 -14.437 1.00 0.00 H new ATOM 0 HG13 VAL A 409 -10.626 -13.095 -13.971 1.00 0.00 H new ATOM 0 HG21 VAL A 409 -10.253 -12.721 -10.931 1.00 0.00 H new ATOM 0 HG22 VAL A 409 -10.342 -14.313 -11.722 1.00 0.00 H new ATOM 0 HG23 VAL A 409 -8.940 -13.901 -10.706 1.00 0.00 H new ATOM 553 N GLY A 410 -7.366 -14.229 -15.618 1.00 0.00 N ATOM 554 CA GLY A 410 -6.731 -13.760 -16.837 1.00 0.00 C ATOM 555 C GLY A 410 -7.487 -14.178 -18.082 1.00 0.00 C ATOM 556 O GLY A 410 -7.616 -15.368 -18.370 1.00 0.00 O ATOM 0 H GLY A 410 -7.732 -15.180 -15.664 1.00 0.00 H new ATOM 0 HA2 GLY A 410 -6.656 -12.673 -16.809 1.00 0.00 H new ATOM 0 HA3 GLY A 410 -5.714 -14.148 -16.886 1.00 0.00 H new ATOM 560 N LYS A 411 -7.991 -13.197 -18.823 1.00 0.00 N ATOM 561 CA LYS A 411 -8.739 -13.468 -20.045 1.00 0.00 C ATOM 562 C LYS A 411 -7.811 -13.500 -21.255 1.00 0.00 C ATOM 563 O LYS A 411 -7.898 -14.399 -22.092 1.00 0.00 O ATOM 564 CB LYS A 411 -9.823 -12.407 -20.249 1.00 0.00 C ATOM 565 CG LYS A 411 -10.894 -12.816 -21.246 1.00 0.00 C ATOM 566 CD LYS A 411 -12.140 -11.958 -21.109 1.00 0.00 C ATOM 567 CE LYS A 411 -13.021 -12.433 -19.963 1.00 0.00 C ATOM 568 NZ LYS A 411 -14.383 -11.834 -20.025 1.00 0.00 N ATOM 0 H LYS A 411 -7.895 -12.207 -18.598 1.00 0.00 H new ATOM 0 HA LYS A 411 -9.210 -14.446 -19.944 1.00 0.00 H new ATOM 0 HB2 LYS A 411 -10.294 -12.192 -19.290 1.00 0.00 H new ATOM 0 HB3 LYS A 411 -9.356 -11.483 -20.589 1.00 0.00 H new ATOM 0 HG2 LYS A 411 -10.501 -12.730 -22.259 1.00 0.00 H new ATOM 0 HG3 LYS A 411 -11.154 -13.863 -21.093 1.00 0.00 H new ATOM 0 HD2 LYS A 411 -11.852 -10.920 -20.942 1.00 0.00 H new ATOM 0 HD3 LYS A 411 -12.706 -11.985 -22.040 1.00 0.00 H new ATOM 0 HE2 LYS A 411 -13.101 -13.520 -19.993 1.00 0.00 H new ATOM 0 HE3 LYS A 411 -12.553 -12.173 -19.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 411 -14.952 -12.183 -19.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 411 -14.309 -10.798 -19.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 411 -14.840 -12.103 -20.920 1.00 0.00 H new ATOM 582 N SER A 412 -6.922 -12.516 -21.341 1.00 0.00 N ATOM 583 CA SER A 412 -5.979 -12.431 -22.450 1.00 0.00 C ATOM 584 C SER A 412 -5.053 -13.643 -22.469 1.00 0.00 C ATOM 585 O SER A 412 -4.687 -14.176 -21.422 1.00 0.00 O ATOM 586 CB SER A 412 -5.155 -11.146 -22.349 1.00 0.00 C ATOM 587 OG SER A 412 -4.438 -11.094 -21.128 1.00 0.00 O ATOM 0 H SER A 412 -6.835 -11.766 -20.655 1.00 0.00 H new ATOM 0 HA SER A 412 -6.549 -12.416 -23.379 1.00 0.00 H new ATOM 0 HB2 SER A 412 -4.459 -11.090 -23.186 1.00 0.00 H new ATOM 0 HB3 SER A 412 -5.814 -10.281 -22.424 1.00 0.00 H new ATOM 0 HG SER A 412 -3.918 -10.264 -21.089 1.00 0.00 H new ATOM 593 N GLY A 413 -4.677 -14.074 -23.670 1.00 0.00 N ATOM 594 CA GLY A 413 -3.796 -15.219 -23.805 1.00 0.00 C ATOM 595 C GLY A 413 -4.558 -16.516 -23.994 1.00 0.00 C ATOM 596 O GLY A 413 -5.772 -16.582 -23.803 1.00 0.00 O ATOM 0 H GLY A 413 -4.967 -13.650 -24.551 1.00 0.00 H new ATOM 0 HA2 GLY A 413 -3.131 -15.064 -24.655 1.00 0.00 H new ATOM 0 HA3 GLY A 413 -3.167 -15.296 -22.918 1.00 0.00 H new ATOM 600 N PRO A 414 -3.837 -17.579 -24.380 1.00 0.00 N ATOM 601 CA PRO A 414 -4.432 -18.900 -24.605 1.00 0.00 C ATOM 602 C PRO A 414 -4.889 -19.558 -23.308 1.00 0.00 C ATOM 603 O PRO A 414 -5.988 -20.108 -23.233 1.00 0.00 O ATOM 604 CB PRO A 414 -3.290 -19.700 -25.237 1.00 0.00 C ATOM 605 CG PRO A 414 -2.048 -19.034 -24.755 1.00 0.00 C ATOM 606 CD PRO A 414 -2.385 -17.574 -24.626 1.00 0.00 C ATOM 0 HA PRO A 414 -5.326 -18.844 -25.226 1.00 0.00 H new ATOM 0 HB2 PRO A 414 -3.323 -20.746 -24.931 1.00 0.00 H new ATOM 0 HB3 PRO A 414 -3.351 -19.684 -26.325 1.00 0.00 H new ATOM 0 HG2 PRO A 414 -1.730 -19.447 -23.798 1.00 0.00 H new ATOM 0 HG3 PRO A 414 -1.227 -19.185 -25.456 1.00 0.00 H new ATOM 0 HD2 PRO A 414 -1.840 -17.107 -23.806 1.00 0.00 H new ATOM 0 HD3 PRO A 414 -2.133 -17.022 -25.531 1.00 0.00 H new ATOM 614 N SER A 415 -4.039 -19.498 -22.287 1.00 0.00 N ATOM 615 CA SER A 415 -4.356 -20.092 -20.993 1.00 0.00 C ATOM 616 C SER A 415 -4.823 -19.026 -20.006 1.00 0.00 C ATOM 617 O SER A 415 -4.280 -17.922 -19.965 1.00 0.00 O ATOM 618 CB SER A 415 -3.135 -20.823 -20.432 1.00 0.00 C ATOM 619 OG SER A 415 -3.475 -21.570 -19.277 1.00 0.00 O ATOM 0 H SER A 415 -3.126 -19.044 -22.331 1.00 0.00 H new ATOM 0 HA SER A 415 -5.165 -20.808 -21.137 1.00 0.00 H new ATOM 0 HB2 SER A 415 -2.725 -21.488 -21.192 1.00 0.00 H new ATOM 0 HB3 SER A 415 -2.356 -20.101 -20.186 1.00 0.00 H new ATOM 0 HG SER A 415 -2.678 -22.029 -18.938 1.00 0.00 H new ATOM 625 N SER A 416 -5.833 -19.366 -19.212 1.00 0.00 N ATOM 626 CA SER A 416 -6.377 -18.438 -18.228 1.00 0.00 C ATOM 627 C SER A 416 -5.327 -18.080 -17.180 1.00 0.00 C ATOM 628 O SER A 416 -5.318 -16.971 -16.648 1.00 0.00 O ATOM 629 CB SER A 416 -7.606 -19.045 -17.548 1.00 0.00 C ATOM 630 OG SER A 416 -8.100 -18.191 -16.531 1.00 0.00 O ATOM 0 H SER A 416 -6.291 -20.277 -19.231 1.00 0.00 H new ATOM 0 HA SER A 416 -6.671 -17.527 -18.749 1.00 0.00 H new ATOM 0 HB2 SER A 416 -8.385 -19.222 -18.289 1.00 0.00 H new ATOM 0 HB3 SER A 416 -7.348 -20.014 -17.120 1.00 0.00 H new ATOM 0 HG SER A 416 -8.886 -18.601 -16.113 1.00 0.00 H new ATOM 636 N GLY A 417 -4.442 -19.029 -16.890 1.00 0.00 N ATOM 637 CA GLY A 417 -3.400 -18.796 -15.908 1.00 0.00 C ATOM 638 C GLY A 417 -3.769 -19.321 -14.535 1.00 0.00 C ATOM 639 O GLY A 417 -4.807 -18.930 -14.003 1.00 0.00 O ATOM 0 H GLY A 417 -4.428 -19.955 -17.318 1.00 0.00 H new ATOM 0 HA2 GLY A 417 -2.478 -19.274 -16.241 1.00 0.00 H new ATOM 0 HA3 GLY A 417 -3.199 -17.727 -15.843 1.00 0.00 H new TER 643 GLY A 417 HETATM 644 ZN ZN A 201 -4.128 -3.364 -2.872 1.00 0.00 ZN