USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 659 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 Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 79:sc= 1.29 USER MOD Single : A 17 THR OG1 : rot 68:sc= 1.21 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0039) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 141:sc= 1.66 (180deg=0.559) USER MOD Single : A 33 TYR OH : rot -89:sc= 1.67 USER MOD Single : A 36 THR OG1 : rot -39:sc= 0.396 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= -0.0279 (180deg=-0.223) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 170:sc= 0 (180deg=-0.138) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -123:sc= -1.18 (180deg=-3.14!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 64 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 65 HIS :FLIP no HE2:sc= -0.242 F(o=-1.3,f=-0.24) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 66:sc= 1.29 USER MOD Single : A 83 ASN : amide:sc= -0.476 X(o=-0.48,f=-0.19) USER MOD Single : A 85 LYS NZ :NH3+ -168:sc= 0.953 (180deg=0.263) USER MOD ----------------------------------------------------------------- ATOM 154 N GLY A 11 -3.629 -7.907 4.919 1.00 0.00 N ATOM 155 CA GLY A 11 -2.543 -6.973 4.788 1.00 0.00 C ATOM 156 C GLY A 11 -1.406 -7.554 3.980 1.00 0.00 C ATOM 157 O GLY A 11 -0.366 -6.937 3.834 1.00 0.00 O ATOM 0 HA2 GLY A 11 -2.902 -6.061 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.181 -6.693 5.777 1.00 0.00 H new ATOM 161 N LEU A 12 -1.611 -8.744 3.445 1.00 0.00 N ATOM 162 CA LEU A 12 -0.586 -9.402 2.652 1.00 0.00 C ATOM 163 C LEU A 12 -1.084 -9.637 1.233 1.00 0.00 C ATOM 164 O LEU A 12 -0.552 -9.070 0.273 1.00 0.00 O ATOM 165 CB LEU A 12 -0.147 -10.732 3.296 1.00 0.00 C ATOM 166 CG LEU A 12 0.932 -11.530 2.541 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.237 -10.748 2.450 1.00 0.00 C ATOM 168 CD2 LEU A 12 1.156 -12.884 3.195 1.00 0.00 C ATOM 0 H LEU A 12 -2.476 -9.275 3.544 1.00 0.00 H new ATOM 0 HA LEU A 12 0.283 -8.746 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.222 -10.521 4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.027 -11.366 3.407 1.00 0.00 H new ATOM 0 HG LEU A 12 0.574 -11.696 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.978 -11.338 1.911 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.064 -9.812 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.604 -10.534 3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.922 -13.431 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.481 -12.741 4.226 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.226 -13.452 3.183 1.00 0.00 H new ATOM 180 N CYS A 13 -2.122 -10.435 1.103 1.00 0.00 N ATOM 181 CA CYS A 13 -2.695 -10.763 -0.194 1.00 0.00 C ATOM 182 C CYS A 13 -3.324 -9.516 -0.837 1.00 0.00 C ATOM 183 O CYS A 13 -3.172 -9.270 -2.045 1.00 0.00 O ATOM 184 CB CYS A 13 -3.727 -11.889 -0.030 1.00 0.00 C ATOM 185 SG CYS A 13 -4.498 -12.443 -1.561 1.00 0.00 S ATOM 0 H CYS A 13 -2.596 -10.877 1.891 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.906 -11.112 -0.860 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.240 -12.742 0.443 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.508 -11.550 0.650 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.346 -13.393 -1.301 1.00 0.00 H new ATOM 191 N ARG A 14 -3.982 -8.718 -0.009 1.00 0.00 N ATOM 192 CA ARG A 14 -4.615 -7.474 -0.423 1.00 0.00 C ATOM 193 C ARG A 14 -3.532 -6.532 -0.923 1.00 0.00 C ATOM 194 O ARG A 14 -3.628 -5.960 -1.998 1.00 0.00 O ATOM 195 CB ARG A 14 -5.322 -6.829 0.783 1.00 0.00 C ATOM 196 CG ARG A 14 -6.185 -5.621 0.442 1.00 0.00 C ATOM 197 CD ARG A 14 -6.642 -4.858 1.687 1.00 0.00 C ATOM 198 NE ARG A 14 -7.386 -5.677 2.660 1.00 0.00 N ATOM 199 CZ ARG A 14 -8.478 -5.264 3.347 1.00 0.00 C ATOM 200 NH1 ARG A 14 -9.034 -4.086 3.086 1.00 0.00 N ATOM 201 NH2 ARG A 14 -9.019 -6.051 4.258 1.00 0.00 N ATOM 0 H ARG A 14 -4.093 -8.920 0.985 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.346 -7.670 -1.208 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.947 -7.581 1.265 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.568 -6.527 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -5.623 -4.949 -0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -7.059 -5.950 -0.120 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.768 -4.433 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.270 -4.023 1.377 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.054 -6.626 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -8.639 -3.484 2.363 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.856 -3.783 3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.615 -6.969 4.444 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.841 -5.741 4.776 1.00 0.00 H new ATOM 215 N LEU A 15 -2.476 -6.452 -0.134 1.00 0.00 N ATOM 216 CA LEU A 15 -1.334 -5.608 -0.396 1.00 0.00 C ATOM 217 C LEU A 15 -0.700 -5.979 -1.737 1.00 0.00 C ATOM 218 O LEU A 15 -0.535 -5.124 -2.610 1.00 0.00 O ATOM 219 CB LEU A 15 -0.337 -5.793 0.750 1.00 0.00 C ATOM 220 CG LEU A 15 0.922 -4.947 0.732 1.00 0.00 C ATOM 221 CD1 LEU A 15 0.573 -3.492 0.776 1.00 0.00 C ATOM 222 CD2 LEU A 15 1.796 -5.298 1.910 1.00 0.00 C ATOM 0 H LEU A 15 -2.391 -6.989 0.729 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.638 -4.563 -0.455 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.861 -5.595 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.037 -6.841 0.768 1.00 0.00 H new ATOM 0 HG LEU A 15 1.465 -5.151 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.487 -2.898 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.038 -3.238 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.015 -3.279 1.688 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.698 -4.686 1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.252 -5.111 2.836 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.071 -6.351 1.858 1.00 0.00 H new ATOM 234 N SER A 16 -0.419 -7.264 -1.895 1.00 0.00 N ATOM 235 CA SER A 16 0.177 -7.810 -3.102 1.00 0.00 C ATOM 236 C SER A 16 -0.648 -7.454 -4.342 1.00 0.00 C ATOM 237 O SER A 16 -0.126 -6.859 -5.283 1.00 0.00 O ATOM 238 CB SER A 16 0.284 -9.328 -2.971 1.00 0.00 C ATOM 239 OG SER A 16 1.038 -9.698 -1.821 1.00 0.00 O ATOM 0 H SER A 16 -0.602 -7.965 -1.177 1.00 0.00 H new ATOM 0 HA SER A 16 1.169 -7.375 -3.223 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.714 -9.761 -2.908 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.754 -9.740 -3.864 1.00 0.00 H new ATOM 0 HG SER A 16 0.477 -9.617 -1.022 1.00 0.00 H new ATOM 245 N THR A 17 -1.943 -7.762 -4.284 1.00 0.00 N ATOM 246 CA THR A 17 -2.862 -7.563 -5.396 1.00 0.00 C ATOM 247 C THR A 17 -2.861 -6.099 -5.907 1.00 0.00 C ATOM 248 O THR A 17 -2.825 -5.858 -7.126 1.00 0.00 O ATOM 249 CB THR A 17 -4.295 -8.006 -4.984 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.261 -9.391 -4.546 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.278 -7.875 -6.147 1.00 0.00 C ATOM 0 H THR A 17 -2.384 -8.160 -3.455 1.00 0.00 H new ATOM 0 HA THR A 17 -2.519 -8.183 -6.224 1.00 0.00 H new ATOM 0 HB THR A 17 -4.631 -7.356 -4.176 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.764 -9.456 -3.704 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.269 -8.193 -5.823 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.319 -6.836 -6.473 1.00 0.00 H new ATOM 0 HG23 THR A 17 -4.948 -8.503 -6.975 1.00 0.00 H new ATOM 259 N TYR A 18 -2.841 -5.141 -4.985 1.00 0.00 N ATOM 260 CA TYR A 18 -2.855 -3.732 -5.355 1.00 0.00 C ATOM 261 C TYR A 18 -1.515 -3.256 -5.873 1.00 0.00 C ATOM 262 O TYR A 18 -1.455 -2.471 -6.816 1.00 0.00 O ATOM 263 CB TYR A 18 -3.357 -2.851 -4.209 1.00 0.00 C ATOM 264 CG TYR A 18 -4.850 -2.922 -4.024 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.674 -2.045 -4.700 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.437 -3.870 -3.200 1.00 0.00 C ATOM 267 CE1 TYR A 18 -7.036 -2.107 -4.568 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.806 -3.937 -3.057 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.600 -3.050 -3.745 1.00 0.00 C ATOM 270 OH TYR A 18 -8.971 -3.122 -3.633 1.00 0.00 O ATOM 0 H TYR A 18 -2.815 -5.315 -3.980 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.562 -3.636 -6.179 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.867 -3.154 -3.284 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.069 -1.817 -4.399 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.237 -1.297 -5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.812 -4.567 -2.662 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.665 -1.416 -5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.251 -4.679 -2.411 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.211 -3.842 -3.013 1.00 0.00 H new ATOM 280 N LEU A 19 -0.442 -3.761 -5.301 1.00 0.00 N ATOM 281 CA LEU A 19 0.896 -3.367 -5.724 1.00 0.00 C ATOM 282 C LEU A 19 1.225 -3.908 -7.115 1.00 0.00 C ATOM 283 O LEU A 19 2.082 -3.372 -7.813 1.00 0.00 O ATOM 284 CB LEU A 19 1.950 -3.787 -4.695 1.00 0.00 C ATOM 285 CG LEU A 19 1.859 -3.099 -3.323 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.890 -3.673 -2.370 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.049 -1.594 -3.463 1.00 0.00 C ATOM 0 H LEU A 19 -0.464 -4.444 -4.543 1.00 0.00 H new ATOM 0 HA LEU A 19 0.914 -2.279 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.875 -4.864 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.937 -3.591 -5.114 1.00 0.00 H new ATOM 0 HG LEU A 19 0.866 -3.285 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.811 -3.174 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.713 -4.741 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.889 -3.517 -2.778 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.981 -1.126 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.028 -1.390 -3.896 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.274 -1.188 -4.113 1.00 0.00 H new ATOM 299 N GLU A 20 0.520 -4.957 -7.524 1.00 0.00 N ATOM 300 CA GLU A 20 0.688 -5.530 -8.854 1.00 0.00 C ATOM 301 C GLU A 20 0.154 -4.596 -9.932 1.00 0.00 C ATOM 302 O GLU A 20 0.520 -4.717 -11.108 1.00 0.00 O ATOM 303 CB GLU A 20 -0.013 -6.869 -8.972 1.00 0.00 C ATOM 304 CG GLU A 20 0.562 -7.969 -8.114 1.00 0.00 C ATOM 305 CD GLU A 20 -0.202 -9.248 -8.280 1.00 0.00 C ATOM 306 OE1 GLU A 20 0.102 -10.022 -9.201 1.00 0.00 O ATOM 307 OE2 GLU A 20 -1.131 -9.505 -7.505 1.00 0.00 O ATOM 0 H GLU A 20 -0.177 -5.430 -6.949 1.00 0.00 H new ATOM 0 HA GLU A 20 1.759 -5.672 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.063 -6.736 -8.711 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.018 -7.188 -10.014 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.607 -8.131 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.542 -7.665 -7.068 1.00 0.00 H new ATOM 314 N GLU A 21 -0.712 -3.669 -9.540 1.00 0.00 N ATOM 315 CA GLU A 21 -1.274 -2.726 -10.482 1.00 0.00 C ATOM 316 C GLU A 21 -0.428 -1.459 -10.587 1.00 0.00 C ATOM 317 O GLU A 21 -0.812 -0.501 -11.262 1.00 0.00 O ATOM 318 CB GLU A 21 -2.745 -2.403 -10.178 1.00 0.00 C ATOM 319 CG GLU A 21 -3.698 -3.574 -10.405 1.00 0.00 C ATOM 320 CD GLU A 21 -5.156 -3.188 -10.259 1.00 0.00 C ATOM 321 OE1 GLU A 21 -5.673 -2.402 -11.099 1.00 0.00 O ATOM 322 OE2 GLU A 21 -5.831 -3.685 -9.355 1.00 0.00 O ATOM 0 H GLU A 21 -1.035 -3.555 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.255 -3.211 -11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.828 -2.076 -9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.059 -1.566 -10.802 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.534 -3.981 -11.403 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.465 -4.368 -9.695 1.00 0.00 H new ATOM 329 N LEU A 22 0.717 -1.457 -9.933 1.00 0.00 N ATOM 330 CA LEU A 22 1.658 -0.364 -10.061 1.00 0.00 C ATOM 331 C LEU A 22 2.720 -0.774 -11.048 1.00 0.00 C ATOM 332 O LEU A 22 3.236 -1.903 -10.970 1.00 0.00 O ATOM 333 CB LEU A 22 2.335 -0.012 -8.719 1.00 0.00 C ATOM 334 CG LEU A 22 1.456 0.526 -7.596 1.00 0.00 C ATOM 335 CD1 LEU A 22 2.317 0.849 -6.390 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.696 1.761 -8.044 1.00 0.00 C ATOM 0 H LEU A 22 1.018 -2.203 -9.306 1.00 0.00 H new ATOM 0 HA LEU A 22 1.113 0.519 -10.395 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.835 -0.908 -8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.111 0.727 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 22 0.726 -0.238 -7.328 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.689 1.234 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.824 -0.055 -6.053 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.058 1.601 -6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.077 2.124 -7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.403 2.537 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.062 1.509 -8.894 1.00 0.00 H new ATOM 348 N GLU A 23 3.039 0.086 -11.993 1.00 0.00 N ATOM 349 CA GLU A 23 4.087 -0.245 -12.929 1.00 0.00 C ATOM 350 C GLU A 23 5.461 -0.031 -12.276 1.00 0.00 C ATOM 351 O GLU A 23 5.537 0.456 -11.144 1.00 0.00 O ATOM 352 CB GLU A 23 3.964 0.521 -14.251 1.00 0.00 C ATOM 353 CG GLU A 23 4.142 2.011 -14.184 1.00 0.00 C ATOM 354 CD GLU A 23 4.352 2.597 -15.556 1.00 0.00 C ATOM 355 OE1 GLU A 23 5.438 2.362 -16.145 1.00 0.00 O ATOM 356 OE2 GLU A 23 3.465 3.291 -16.079 1.00 0.00 O ATOM 0 H GLU A 23 2.599 0.996 -12.130 1.00 0.00 H new ATOM 0 HA GLU A 23 3.980 -1.299 -13.185 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.702 0.121 -14.947 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.981 0.314 -14.675 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.265 2.464 -13.723 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.995 2.250 -13.549 1.00 0.00 H new ATOM 363 N ALA A 24 6.536 -0.361 -12.994 1.00 0.00 N ATOM 364 CA ALA A 24 7.901 -0.275 -12.454 1.00 0.00 C ATOM 365 C ALA A 24 8.240 1.124 -11.944 1.00 0.00 C ATOM 366 O ALA A 24 8.807 1.273 -10.861 1.00 0.00 O ATOM 367 CB ALA A 24 8.926 -0.739 -13.478 1.00 0.00 C ATOM 0 H ALA A 24 6.490 -0.693 -13.957 1.00 0.00 H new ATOM 0 HA ALA A 24 7.941 -0.946 -11.596 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.926 -0.664 -13.051 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.724 -1.775 -13.751 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.863 -0.111 -14.366 1.00 0.00 H new ATOM 373 N VAL A 25 7.853 2.154 -12.697 1.00 0.00 N ATOM 374 CA VAL A 25 8.120 3.520 -12.267 1.00 0.00 C ATOM 375 C VAL A 25 7.266 3.880 -11.047 1.00 0.00 C ATOM 376 O VAL A 25 7.686 4.644 -10.199 1.00 0.00 O ATOM 377 CB VAL A 25 7.944 4.584 -13.405 1.00 0.00 C ATOM 378 CG1 VAL A 25 6.519 4.664 -13.903 1.00 0.00 C ATOM 379 CG2 VAL A 25 8.425 5.958 -12.958 1.00 0.00 C ATOM 0 H VAL A 25 7.364 2.069 -13.588 1.00 0.00 H new ATOM 0 HA VAL A 25 9.174 3.550 -11.989 1.00 0.00 H new ATOM 0 HB VAL A 25 8.564 4.251 -14.237 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.450 5.415 -14.690 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.217 3.694 -14.299 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.861 4.940 -13.079 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.289 6.673 -13.770 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.849 6.281 -12.090 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.481 5.905 -12.694 1.00 0.00 H new ATOM 389 N GLU A 26 6.105 3.269 -10.928 1.00 0.00 N ATOM 390 CA GLU A 26 5.231 3.558 -9.810 1.00 0.00 C ATOM 391 C GLU A 26 5.751 2.900 -8.554 1.00 0.00 C ATOM 392 O GLU A 26 5.696 3.483 -7.479 1.00 0.00 O ATOM 393 CB GLU A 26 3.807 3.147 -10.089 1.00 0.00 C ATOM 394 CG GLU A 26 3.222 3.809 -11.303 1.00 0.00 C ATOM 395 CD GLU A 26 1.753 3.544 -11.432 1.00 0.00 C ATOM 396 OE1 GLU A 26 0.947 4.304 -10.848 1.00 0.00 O ATOM 397 OE2 GLU A 26 1.378 2.590 -12.119 1.00 0.00 O ATOM 0 H GLU A 26 5.747 2.576 -11.585 1.00 0.00 H new ATOM 0 HA GLU A 26 5.227 4.638 -9.661 1.00 0.00 H new ATOM 0 HB2 GLU A 26 3.768 2.066 -10.220 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.191 3.386 -9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 26 3.393 4.884 -11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.735 3.450 -12.195 1.00 0.00 H new ATOM 404 N LEU A 27 6.284 1.695 -8.707 1.00 0.00 N ATOM 405 CA LEU A 27 6.930 0.990 -7.607 1.00 0.00 C ATOM 406 C LEU A 27 8.144 1.786 -7.157 1.00 0.00 C ATOM 407 O LEU A 27 8.429 1.886 -5.974 1.00 0.00 O ATOM 408 CB LEU A 27 7.353 -0.422 -8.036 1.00 0.00 C ATOM 409 CG LEU A 27 6.226 -1.396 -8.406 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.806 -2.696 -8.936 1.00 0.00 C ATOM 411 CD2 LEU A 27 5.337 -1.675 -7.200 1.00 0.00 C ATOM 0 H LEU A 27 6.281 1.182 -9.589 1.00 0.00 H new ATOM 0 HA LEU A 27 6.225 0.892 -6.782 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.020 -0.332 -8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.933 -0.864 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 27 5.619 -0.935 -9.185 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.995 -3.377 -9.194 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.405 -2.492 -9.823 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.434 -3.153 -8.171 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.545 -2.368 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.934 -2.115 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.895 -0.742 -6.850 1.00 0.00 H new ATOM 423 N LYS A 28 8.821 2.377 -8.131 1.00 0.00 N ATOM 424 CA LYS A 28 9.973 3.242 -7.921 1.00 0.00 C ATOM 425 C LYS A 28 9.577 4.456 -7.068 1.00 0.00 C ATOM 426 O LYS A 28 10.283 4.819 -6.126 1.00 0.00 O ATOM 427 CB LYS A 28 10.507 3.662 -9.296 1.00 0.00 C ATOM 428 CG LYS A 28 11.765 4.501 -9.326 1.00 0.00 C ATOM 429 CD LYS A 28 12.166 4.728 -10.777 1.00 0.00 C ATOM 430 CE LYS A 28 13.450 5.520 -10.919 1.00 0.00 C ATOM 431 NZ LYS A 28 13.327 6.910 -10.438 1.00 0.00 N ATOM 0 H LYS A 28 8.578 2.265 -9.115 1.00 0.00 H new ATOM 0 HA LYS A 28 10.758 2.716 -7.378 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.691 2.758 -9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.720 4.216 -9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.595 5.455 -8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.568 3.998 -8.786 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.284 3.763 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.362 5.254 -11.292 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.243 5.018 -10.364 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.751 5.529 -11.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.225 7.411 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.568 7.392 -10.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.101 6.907 -9.423 1.00 0.00 H new ATOM 445 N LYS A 29 8.429 5.040 -7.384 1.00 0.00 N ATOM 446 CA LYS A 29 7.884 6.177 -6.631 1.00 0.00 C ATOM 447 C LYS A 29 7.573 5.732 -5.212 1.00 0.00 C ATOM 448 O LYS A 29 7.999 6.343 -4.232 1.00 0.00 O ATOM 449 CB LYS A 29 6.576 6.642 -7.272 1.00 0.00 C ATOM 450 CG LYS A 29 6.687 7.063 -8.712 1.00 0.00 C ATOM 451 CD LYS A 29 5.334 7.415 -9.294 1.00 0.00 C ATOM 452 CE LYS A 29 5.455 7.796 -10.754 1.00 0.00 C ATOM 453 NZ LYS A 29 4.155 8.182 -11.331 1.00 0.00 N ATOM 0 H LYS A 29 7.845 4.745 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 29 8.615 6.986 -6.633 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.847 5.835 -7.200 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.183 7.478 -6.694 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.353 7.923 -8.790 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.136 6.258 -9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.658 6.567 -9.191 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.897 8.241 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.157 8.623 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.867 6.957 -11.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.281 8.436 -12.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.492 7.384 -11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.774 8.999 -10.812 1.00 0.00 H new ATOM 467 N PHE A 30 6.835 4.649 -5.147 1.00 0.00 N ATOM 468 CA PHE A 30 6.389 4.008 -3.931 1.00 0.00 C ATOM 469 C PHE A 30 7.555 3.721 -2.964 1.00 0.00 C ATOM 470 O PHE A 30 7.530 4.146 -1.803 1.00 0.00 O ATOM 471 CB PHE A 30 5.607 2.739 -4.357 1.00 0.00 C ATOM 472 CG PHE A 30 5.357 1.680 -3.327 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.444 1.860 -2.310 1.00 0.00 C ATOM 474 CD2 PHE A 30 6.022 0.473 -3.415 1.00 0.00 C ATOM 475 CE1 PHE A 30 4.208 0.854 -1.396 1.00 0.00 C ATOM 476 CE2 PHE A 30 5.794 -0.530 -2.504 1.00 0.00 C ATOM 477 CZ PHE A 30 4.885 -0.339 -1.493 1.00 0.00 C ATOM 0 H PHE A 30 6.512 4.165 -5.985 1.00 0.00 H new ATOM 0 HA PHE A 30 5.733 4.664 -3.359 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.640 3.059 -4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 30 6.147 2.278 -5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.910 2.795 -2.228 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.733 0.315 -4.213 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.490 1.004 -0.603 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.328 -1.465 -2.583 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.702 -1.125 -0.775 1.00 0.00 H new ATOM 487 N LYS A 31 8.597 3.076 -3.456 1.00 0.00 N ATOM 488 CA LYS A 31 9.732 2.725 -2.615 1.00 0.00 C ATOM 489 C LYS A 31 10.559 3.927 -2.182 1.00 0.00 C ATOM 490 O LYS A 31 11.135 3.908 -1.103 1.00 0.00 O ATOM 491 CB LYS A 31 10.620 1.635 -3.240 1.00 0.00 C ATOM 492 CG LYS A 31 11.173 1.961 -4.623 1.00 0.00 C ATOM 493 CD LYS A 31 12.082 0.855 -5.119 1.00 0.00 C ATOM 494 CE LYS A 31 12.470 1.027 -6.571 1.00 0.00 C ATOM 495 NZ LYS A 31 13.407 -0.021 -7.001 1.00 0.00 N ATOM 0 H LYS A 31 8.683 2.784 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 31 9.291 2.308 -1.710 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.456 1.441 -2.568 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.043 0.712 -3.305 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.350 2.102 -5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.724 2.901 -4.586 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.983 0.829 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.582 -0.105 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.576 0.997 -7.194 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.926 2.007 -6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.174 -0.319 -7.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.378 0.351 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.333 -0.837 -6.360 1.00 0.00 H new ATOM 509 N LEU A 32 10.626 4.973 -2.983 1.00 0.00 N ATOM 510 CA LEU A 32 11.398 6.120 -2.557 1.00 0.00 C ATOM 511 C LEU A 32 10.595 6.945 -1.587 1.00 0.00 C ATOM 512 O LEU A 32 11.157 7.612 -0.708 1.00 0.00 O ATOM 513 CB LEU A 32 11.940 6.952 -3.748 1.00 0.00 C ATOM 514 CG LEU A 32 10.948 7.753 -4.630 1.00 0.00 C ATOM 515 CD1 LEU A 32 10.527 9.073 -3.977 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.566 8.012 -5.976 1.00 0.00 C ATOM 0 H LEU A 32 10.175 5.052 -3.895 1.00 0.00 H new ATOM 0 HA LEU A 32 12.286 5.759 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.668 7.659 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 32 12.483 6.271 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 32 10.046 7.152 -4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 32 9.832 9.598 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 32 10.041 8.868 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.407 9.693 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.867 8.575 -6.595 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.484 8.586 -5.850 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.795 7.063 -6.460 1.00 0.00 H new ATOM 528 N TYR A 33 9.282 6.893 -1.725 1.00 0.00 N ATOM 529 CA TYR A 33 8.438 7.634 -0.854 1.00 0.00 C ATOM 530 C TYR A 33 8.519 7.094 0.552 1.00 0.00 C ATOM 531 O TYR A 33 8.768 7.841 1.465 1.00 0.00 O ATOM 532 CB TYR A 33 6.977 7.688 -1.326 1.00 0.00 C ATOM 533 CG TYR A 33 6.129 8.554 -0.418 1.00 0.00 C ATOM 534 CD1 TYR A 33 6.106 9.926 -0.578 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.396 8.000 0.629 1.00 0.00 C ATOM 536 CE1 TYR A 33 5.382 10.729 0.278 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.663 8.791 1.481 1.00 0.00 C ATOM 538 CZ TYR A 33 4.661 10.158 1.303 1.00 0.00 C ATOM 539 OH TYR A 33 3.952 10.964 2.170 1.00 0.00 O ATOM 0 H TYR A 33 8.795 6.344 -2.433 1.00 0.00 H new ATOM 0 HA TYR A 33 8.807 8.660 -0.869 1.00 0.00 H new ATOM 0 HB2 TYR A 33 6.937 8.078 -2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.566 6.679 -1.355 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.664 10.377 -1.386 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.404 6.930 0.774 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.380 11.801 0.145 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.093 8.345 2.283 1.00 0.00 H new ATOM 0 HH TYR A 33 4.526 11.220 2.922 1.00 0.00 H new ATOM 549 N LEU A 34 8.339 5.800 0.709 1.00 0.00 N ATOM 550 CA LEU A 34 8.328 5.204 2.036 1.00 0.00 C ATOM 551 C LEU A 34 9.674 4.636 2.492 1.00 0.00 C ATOM 552 O LEU A 34 9.982 4.650 3.680 1.00 0.00 O ATOM 553 CB LEU A 34 7.179 4.179 2.174 1.00 0.00 C ATOM 554 CG LEU A 34 7.005 3.104 1.082 1.00 0.00 C ATOM 555 CD1 LEU A 34 8.104 2.050 1.106 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.648 2.464 1.205 1.00 0.00 C ATOM 0 H LEU A 34 8.199 5.141 -0.057 1.00 0.00 H new ATOM 0 HA LEU A 34 8.139 6.026 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.309 3.664 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.245 4.737 2.239 1.00 0.00 H new ATOM 0 HG LEU A 34 7.085 3.607 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.927 1.321 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.071 2.529 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.102 1.545 2.072 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.532 1.706 0.431 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.553 1.998 2.186 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.875 3.224 1.088 1.00 0.00 H new ATOM 568 N GLY A 35 10.489 4.192 1.563 1.00 0.00 N ATOM 569 CA GLY A 35 11.717 3.514 1.927 1.00 0.00 C ATOM 570 C GLY A 35 12.740 4.408 2.580 1.00 0.00 C ATOM 571 O GLY A 35 13.410 4.005 3.537 1.00 0.00 O ATOM 0 H GLY A 35 10.329 4.285 0.560 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.480 2.694 2.605 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.155 3.071 1.032 1.00 0.00 H new ATOM 575 N THR A 36 12.858 5.613 2.089 1.00 0.00 N ATOM 576 CA THR A 36 13.808 6.553 2.640 1.00 0.00 C ATOM 577 C THR A 36 13.053 7.722 3.302 1.00 0.00 C ATOM 578 O THR A 36 13.611 8.794 3.553 1.00 0.00 O ATOM 579 CB THR A 36 14.831 7.037 1.538 1.00 0.00 C ATOM 580 OG1 THR A 36 15.872 7.859 2.106 1.00 0.00 O ATOM 581 CG2 THR A 36 14.139 7.795 0.396 1.00 0.00 C ATOM 0 H THR A 36 12.309 5.971 1.307 1.00 0.00 H new ATOM 0 HA THR A 36 14.401 6.061 3.411 1.00 0.00 H new ATOM 0 HB THR A 36 15.280 6.134 1.124 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.489 8.444 2.792 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.883 8.107 -0.337 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.409 7.143 -0.084 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.633 8.673 0.796 1.00 0.00 H new ATOM 589 N ALA A 37 11.791 7.471 3.626 1.00 0.00 N ATOM 590 CA ALA A 37 10.931 8.470 4.238 1.00 0.00 C ATOM 591 C ALA A 37 11.348 8.814 5.635 1.00 0.00 C ATOM 592 O ALA A 37 11.413 7.944 6.513 1.00 0.00 O ATOM 593 CB ALA A 37 9.503 8.007 4.294 1.00 0.00 C ATOM 0 H ALA A 37 11.338 6.570 3.471 1.00 0.00 H new ATOM 0 HA ALA A 37 11.024 9.353 3.605 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.888 8.779 4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.143 7.815 3.283 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.440 7.091 4.882 1.00 0.00 H new ATOM 599 N THR A 38 11.568 10.075 5.859 1.00 0.00 N ATOM 600 CA THR A 38 11.827 10.571 7.173 1.00 0.00 C ATOM 601 C THR A 38 10.484 10.736 7.891 1.00 0.00 C ATOM 602 O THR A 38 10.407 10.773 9.108 1.00 0.00 O ATOM 603 CB THR A 38 12.561 11.911 7.086 1.00 0.00 C ATOM 604 OG1 THR A 38 11.864 12.750 6.159 1.00 0.00 O ATOM 605 CG2 THR A 38 13.999 11.721 6.622 1.00 0.00 C ATOM 0 H THR A 38 11.572 10.790 5.131 1.00 0.00 H new ATOM 0 HA THR A 38 12.458 9.877 7.728 1.00 0.00 H new ATOM 0 HB THR A 38 12.586 12.369 8.075 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.321 13.614 6.093 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.495 12.690 6.570 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.527 11.080 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.005 11.257 5.636 1.00 0.00 H new ATOM 613 N GLU A 39 9.423 10.761 7.086 1.00 0.00 N ATOM 614 CA GLU A 39 8.030 10.874 7.537 1.00 0.00 C ATOM 615 C GLU A 39 7.646 9.668 8.427 1.00 0.00 C ATOM 616 O GLU A 39 6.805 9.772 9.329 1.00 0.00 O ATOM 617 CB GLU A 39 7.120 10.906 6.297 1.00 0.00 C ATOM 618 CG GLU A 39 5.643 11.075 6.596 1.00 0.00 C ATOM 619 CD GLU A 39 4.779 10.898 5.375 1.00 0.00 C ATOM 620 OE1 GLU A 39 4.519 11.878 4.666 1.00 0.00 O ATOM 621 OE2 GLU A 39 4.327 9.772 5.114 1.00 0.00 O ATOM 0 H GLU A 39 9.508 10.702 6.071 1.00 0.00 H new ATOM 0 HA GLU A 39 7.911 11.785 8.124 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.441 11.722 5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.259 9.981 5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.345 10.352 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.473 12.066 7.016 1.00 0.00 H new ATOM 628 N LEU A 40 8.276 8.539 8.160 1.00 0.00 N ATOM 629 CA LEU A 40 8.022 7.304 8.893 1.00 0.00 C ATOM 630 C LEU A 40 8.971 7.184 10.061 1.00 0.00 C ATOM 631 O LEU A 40 8.796 6.357 10.951 1.00 0.00 O ATOM 632 CB LEU A 40 8.234 6.122 7.973 1.00 0.00 C ATOM 633 CG LEU A 40 7.354 6.068 6.732 1.00 0.00 C ATOM 634 CD1 LEU A 40 7.736 4.891 5.879 1.00 0.00 C ATOM 635 CD2 LEU A 40 5.886 5.991 7.107 1.00 0.00 C ATOM 0 H LEU A 40 8.980 8.448 7.428 1.00 0.00 H new ATOM 0 HA LEU A 40 6.996 7.319 9.260 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.276 6.119 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.074 5.209 8.546 1.00 0.00 H new ATOM 0 HG LEU A 40 7.510 6.985 6.164 1.00 0.00 H new ATOM 0 HD11 LEU A 40 7.100 4.862 4.994 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.778 4.985 5.574 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.607 3.971 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.281 5.954 6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.708 5.094 7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.613 6.871 7.690 1.00 0.00 H new ATOM 647 N GLY A 41 9.978 7.985 10.028 1.00 0.00 N ATOM 648 CA GLY A 41 10.977 7.975 11.032 1.00 0.00 C ATOM 649 C GLY A 41 12.326 7.882 10.398 1.00 0.00 C ATOM 650 O GLY A 41 12.814 8.851 9.824 1.00 0.00 O ATOM 0 H GLY A 41 10.131 8.674 9.292 1.00 0.00 H new ATOM 0 HA2 GLY A 41 10.909 8.881 11.635 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.822 7.132 11.705 1.00 0.00 H new ATOM 654 N GLU A 42 12.890 6.710 10.429 1.00 0.00 N ATOM 655 CA GLU A 42 14.228 6.485 9.895 1.00 0.00 C ATOM 656 C GLU A 42 14.179 5.868 8.505 1.00 0.00 C ATOM 657 O GLU A 42 15.187 5.842 7.788 1.00 0.00 O ATOM 658 CB GLU A 42 14.987 5.531 10.808 1.00 0.00 C ATOM 659 CG GLU A 42 15.137 6.001 12.241 1.00 0.00 C ATOM 660 CD GLU A 42 15.862 7.313 12.361 1.00 0.00 C ATOM 661 OE1 GLU A 42 17.100 7.340 12.220 1.00 0.00 O ATOM 662 OE2 GLU A 42 15.215 8.331 12.651 1.00 0.00 O ATOM 0 H GLU A 42 12.449 5.878 10.821 1.00 0.00 H new ATOM 0 HA GLU A 42 14.726 7.453 9.837 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.476 4.568 10.809 1.00 0.00 H new ATOM 0 HB3 GLU A 42 15.980 5.364 10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.149 6.097 12.690 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.674 5.243 12.811 1.00 0.00 H new ATOM 669 N GLY A 43 13.016 5.399 8.117 1.00 0.00 N ATOM 670 CA GLY A 43 12.921 4.624 6.910 1.00 0.00 C ATOM 671 C GLY A 43 13.221 3.185 7.256 1.00 0.00 C ATOM 672 O GLY A 43 14.362 2.830 7.544 1.00 0.00 O ATOM 0 H GLY A 43 12.136 5.539 8.614 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.924 4.712 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.626 4.992 6.164 1.00 0.00 H new ATOM 676 N LYS A 44 12.208 2.363 7.250 1.00 0.00 N ATOM 677 CA LYS A 44 12.332 0.989 7.745 1.00 0.00 C ATOM 678 C LYS A 44 12.717 0.004 6.663 1.00 0.00 C ATOM 679 O LYS A 44 12.765 -1.196 6.902 1.00 0.00 O ATOM 680 CB LYS A 44 11.031 0.556 8.417 1.00 0.00 C ATOM 681 CG LYS A 44 10.655 1.393 9.627 1.00 0.00 C ATOM 682 CD LYS A 44 11.645 1.211 10.769 1.00 0.00 C ATOM 683 CE LYS A 44 11.281 2.078 11.965 1.00 0.00 C ATOM 684 NZ LYS A 44 9.921 1.797 12.477 1.00 0.00 N ATOM 0 H LYS A 44 11.278 2.607 6.910 1.00 0.00 H new ATOM 0 HA LYS A 44 13.143 0.986 8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.223 0.606 7.688 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.121 -0.487 8.722 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.616 2.445 9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.656 1.117 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.666 0.164 11.070 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.648 1.464 10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.006 1.915 12.762 1.00 0.00 H new ATOM 0 HE3 LYS A 44 11.349 3.128 11.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.796 2.257 13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.215 2.166 11.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.795 0.770 12.582 1.00 0.00 H new ATOM 698 N ILE A 45 13.018 0.497 5.508 1.00 0.00 N ATOM 699 CA ILE A 45 13.392 -0.351 4.416 1.00 0.00 C ATOM 700 C ILE A 45 14.905 -0.470 4.374 1.00 0.00 C ATOM 701 O ILE A 45 15.611 0.542 4.447 1.00 0.00 O ATOM 702 CB ILE A 45 12.856 0.197 3.071 1.00 0.00 C ATOM 703 CG1 ILE A 45 11.315 0.226 3.063 1.00 0.00 C ATOM 704 CG2 ILE A 45 13.388 -0.608 1.895 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.670 -1.135 3.198 1.00 0.00 C ATOM 0 H ILE A 45 13.013 1.494 5.291 1.00 0.00 H new ATOM 0 HA ILE A 45 12.950 -1.336 4.568 1.00 0.00 H new ATOM 0 HB ILE A 45 13.216 1.220 2.964 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.970 0.862 3.878 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.976 0.686 2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.993 -0.198 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.477 -0.556 1.881 1.00 0.00 H new ATOM 0 HG23 ILE A 45 13.076 -1.648 1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.585 -1.027 3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.982 -1.770 2.369 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.977 -1.591 4.139 1.00 0.00 H new ATOM 717 N PRO A 46 15.422 -1.694 4.315 1.00 0.00 N ATOM 718 CA PRO A 46 16.846 -1.931 4.224 1.00 0.00 C ATOM 719 C PRO A 46 17.405 -1.509 2.861 1.00 0.00 C ATOM 720 O PRO A 46 16.873 -1.907 1.803 1.00 0.00 O ATOM 721 CB PRO A 46 16.987 -3.443 4.435 1.00 0.00 C ATOM 722 CG PRO A 46 15.668 -4.005 4.048 1.00 0.00 C ATOM 723 CD PRO A 46 14.653 -2.952 4.356 1.00 0.00 C ATOM 0 HA PRO A 46 17.407 -1.350 4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.788 -3.855 3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 46 17.228 -3.677 5.472 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.651 -4.262 2.989 1.00 0.00 H new ATOM 0 HG3 PRO A 46 15.458 -4.920 4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.845 -2.950 3.624 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.198 -3.110 5.334 1.00 0.00 H new ATOM 731 N TRP A 47 18.404 -0.631 2.954 1.00 0.00 N ATOM 732 CA TRP A 47 19.253 -0.061 1.892 1.00 0.00 C ATOM 733 C TRP A 47 18.686 -0.141 0.481 1.00 0.00 C ATOM 734 O TRP A 47 18.084 0.810 -0.017 1.00 0.00 O ATOM 735 CB TRP A 47 20.660 -0.672 1.964 1.00 0.00 C ATOM 736 CG TRP A 47 21.241 -0.603 3.342 1.00 0.00 C ATOM 737 CD1 TRP A 47 21.851 0.465 3.930 1.00 0.00 C ATOM 738 CD2 TRP A 47 21.254 -1.658 4.311 1.00 0.00 C ATOM 739 NE1 TRP A 47 22.219 0.143 5.212 1.00 0.00 N ATOM 740 CE2 TRP A 47 21.870 -1.156 5.463 1.00 0.00 C ATOM 741 CE3 TRP A 47 20.797 -2.978 4.313 1.00 0.00 C ATOM 742 CZ2 TRP A 47 22.038 -1.925 6.605 1.00 0.00 C ATOM 743 CZ3 TRP A 47 20.966 -3.739 5.446 1.00 0.00 C ATOM 744 CH2 TRP A 47 21.582 -3.210 6.577 1.00 0.00 C ATOM 0 H TRP A 47 18.671 -0.260 3.866 1.00 0.00 H new ATOM 0 HA TRP A 47 19.294 1.009 2.096 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.619 -1.712 1.642 1.00 0.00 H new ATOM 0 HB3 TRP A 47 21.317 -0.149 1.269 1.00 0.00 H new ATOM 0 HD1 TRP A 47 22.019 1.421 3.457 1.00 0.00 H new ATOM 0 HE1 TRP A 47 22.679 0.771 5.872 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.319 -3.394 3.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 22.514 -1.520 7.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 20.616 -4.761 5.459 1.00 0.00 H new ATOM 0 HH2 TRP A 47 21.701 -3.831 7.452 1.00 0.00 H new ATOM 755 N GLY A 48 18.826 -1.288 -0.114 1.00 0.00 N ATOM 756 CA GLY A 48 18.442 -1.471 -1.484 1.00 0.00 C ATOM 757 C GLY A 48 17.773 -2.794 -1.710 1.00 0.00 C ATOM 758 O GLY A 48 17.928 -3.413 -2.769 1.00 0.00 O ATOM 0 H GLY A 48 19.208 -2.121 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.767 -0.668 -1.781 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.324 -1.398 -2.120 1.00 0.00 H new ATOM 762 N SER A 49 17.033 -3.241 -0.720 1.00 0.00 N ATOM 763 CA SER A 49 16.288 -4.484 -0.807 1.00 0.00 C ATOM 764 C SER A 49 15.139 -4.310 -1.794 1.00 0.00 C ATOM 765 O SER A 49 14.788 -5.223 -2.537 1.00 0.00 O ATOM 766 CB SER A 49 15.751 -4.853 0.581 1.00 0.00 C ATOM 767 OG SER A 49 15.119 -6.125 0.608 1.00 0.00 O ATOM 0 H SER A 49 16.929 -2.755 0.171 1.00 0.00 H new ATOM 0 HA SER A 49 16.938 -5.286 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.573 -4.846 1.297 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.040 -4.093 0.904 1.00 0.00 H new ATOM 0 HG SER A 49 14.797 -6.311 1.515 1.00 0.00 H new ATOM 773 N MET A 50 14.621 -3.097 -1.843 1.00 0.00 N ATOM 774 CA MET A 50 13.500 -2.759 -2.701 1.00 0.00 C ATOM 775 C MET A 50 13.923 -2.495 -4.144 1.00 0.00 C ATOM 776 O MET A 50 13.102 -2.186 -5.001 1.00 0.00 O ATOM 777 CB MET A 50 12.652 -1.609 -2.109 1.00 0.00 C ATOM 778 CG MET A 50 13.431 -0.436 -1.505 1.00 0.00 C ATOM 779 SD MET A 50 14.508 0.437 -2.659 1.00 0.00 S ATOM 780 CE MET A 50 15.247 1.657 -1.564 1.00 0.00 C ATOM 0 H MET A 50 14.967 -2.315 -1.287 1.00 0.00 H new ATOM 0 HA MET A 50 12.856 -3.638 -2.738 1.00 0.00 H new ATOM 0 HB2 MET A 50 12.004 -1.221 -2.895 1.00 0.00 H new ATOM 0 HB3 MET A 50 12.004 -2.024 -1.337 1.00 0.00 H new ATOM 0 HG2 MET A 50 12.720 0.276 -1.086 1.00 0.00 H new ATOM 0 HG3 MET A 50 14.035 -0.808 -0.678 1.00 0.00 H new ATOM 0 HE1 MET A 50 16.066 2.160 -2.079 1.00 0.00 H new ATOM 0 HE2 MET A 50 14.494 2.391 -1.276 1.00 0.00 H new ATOM 0 HE3 MET A 50 15.630 1.161 -0.672 1.00 0.00 H new ATOM 790 N GLU A 51 15.195 -2.643 -4.407 1.00 0.00 N ATOM 791 CA GLU A 51 15.721 -2.485 -5.740 1.00 0.00 C ATOM 792 C GLU A 51 15.451 -3.717 -6.577 1.00 0.00 C ATOM 793 O GLU A 51 15.043 -3.621 -7.727 1.00 0.00 O ATOM 794 CB GLU A 51 17.197 -2.179 -5.675 1.00 0.00 C ATOM 795 CG GLU A 51 17.494 -0.772 -5.233 1.00 0.00 C ATOM 796 CD GLU A 51 17.016 0.211 -6.255 1.00 0.00 C ATOM 797 OE1 GLU A 51 17.784 0.525 -7.184 1.00 0.00 O ATOM 798 OE2 GLU A 51 15.854 0.663 -6.174 1.00 0.00 O ATOM 0 H GLU A 51 15.896 -2.876 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 51 15.216 -1.648 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.676 -2.877 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.639 -2.345 -6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.010 -0.575 -4.276 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.566 -0.652 -5.078 1.00 0.00 H new ATOM 805 N LYS A 52 15.626 -4.863 -5.974 1.00 0.00 N ATOM 806 CA LYS A 52 15.381 -6.138 -6.635 1.00 0.00 C ATOM 807 C LYS A 52 14.009 -6.685 -6.236 1.00 0.00 C ATOM 808 O LYS A 52 13.736 -7.887 -6.363 1.00 0.00 O ATOM 809 CB LYS A 52 16.497 -7.151 -6.290 1.00 0.00 C ATOM 810 CG LYS A 52 16.789 -7.317 -4.792 1.00 0.00 C ATOM 811 CD LYS A 52 17.800 -8.444 -4.518 1.00 0.00 C ATOM 812 CE LYS A 52 19.157 -8.230 -5.210 1.00 0.00 C ATOM 813 NZ LYS A 52 19.870 -7.029 -4.731 1.00 0.00 N ATOM 0 H LYS A 52 15.943 -4.949 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 52 15.389 -5.980 -7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.223 -8.123 -6.700 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.414 -6.841 -6.790 1.00 0.00 H new ATOM 0 HG2 LYS A 52 17.176 -6.379 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.859 -7.529 -4.264 1.00 0.00 H new ATOM 0 HD2 LYS A 52 17.958 -8.526 -3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 52 17.376 -9.391 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.784 -9.107 -5.046 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.000 -8.147 -6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 20.776 -6.939 -5.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 19.289 -6.185 -4.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 20.048 -7.115 -3.710 1.00 0.00 H new ATOM 827 N ALA A 53 13.139 -5.797 -5.818 1.00 0.00 N ATOM 828 CA ALA A 53 11.836 -6.179 -5.336 1.00 0.00 C ATOM 829 C ALA A 53 10.736 -5.744 -6.292 1.00 0.00 C ATOM 830 O ALA A 53 10.792 -4.647 -6.867 1.00 0.00 O ATOM 831 CB ALA A 53 11.594 -5.589 -3.954 1.00 0.00 C ATOM 0 H ALA A 53 13.315 -4.792 -5.803 1.00 0.00 H new ATOM 0 HA ALA A 53 11.810 -7.267 -5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.606 -5.884 -3.600 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.352 -5.958 -3.263 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.650 -4.502 -4.008 1.00 0.00 H new ATOM 837 N GLY A 54 9.764 -6.611 -6.472 1.00 0.00 N ATOM 838 CA GLY A 54 8.615 -6.324 -7.267 1.00 0.00 C ATOM 839 C GLY A 54 7.391 -6.313 -6.385 1.00 0.00 C ATOM 840 O GLY A 54 7.542 -6.360 -5.175 1.00 0.00 O ATOM 0 H GLY A 54 9.760 -7.544 -6.060 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.731 -5.359 -7.760 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.505 -7.072 -8.052 1.00 0.00 H new ATOM 844 N PRO A 55 6.179 -6.329 -6.954 1.00 0.00 N ATOM 845 CA PRO A 55 4.906 -6.226 -6.200 1.00 0.00 C ATOM 846 C PRO A 55 4.800 -7.210 -5.027 1.00 0.00 C ATOM 847 O PRO A 55 4.423 -6.829 -3.914 1.00 0.00 O ATOM 848 CB PRO A 55 3.847 -6.556 -7.250 1.00 0.00 C ATOM 849 CG PRO A 55 4.476 -6.206 -8.551 1.00 0.00 C ATOM 850 CD PRO A 55 5.947 -6.475 -8.391 1.00 0.00 C ATOM 0 HA PRO A 55 4.804 -5.242 -5.742 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.571 -7.610 -7.215 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.935 -5.982 -7.085 1.00 0.00 H new ATOM 0 HG2 PRO A 55 4.056 -6.804 -9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.296 -5.161 -8.802 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.210 -7.474 -8.738 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.547 -5.769 -8.966 1.00 0.00 H new ATOM 858 N LEU A 56 5.183 -8.448 -5.265 1.00 0.00 N ATOM 859 CA LEU A 56 5.079 -9.487 -4.239 1.00 0.00 C ATOM 860 C LEU A 56 6.166 -9.322 -3.207 1.00 0.00 C ATOM 861 O LEU A 56 5.906 -9.404 -2.004 1.00 0.00 O ATOM 862 CB LEU A 56 5.103 -10.921 -4.827 1.00 0.00 C ATOM 863 CG LEU A 56 3.937 -11.338 -5.756 1.00 0.00 C ATOM 864 CD1 LEU A 56 2.595 -11.033 -5.133 1.00 0.00 C ATOM 865 CD2 LEU A 56 4.051 -10.724 -7.143 1.00 0.00 C ATOM 0 H LEU A 56 5.569 -8.767 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 56 4.107 -9.359 -3.762 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.033 -11.040 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 56 5.136 -11.624 -3.995 1.00 0.00 H new ATOM 0 HG LEU A 56 4.011 -12.418 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.800 -11.339 -5.813 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.498 -11.577 -4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.517 -9.963 -4.942 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.209 -11.048 -7.755 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.043 -9.637 -7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.983 -11.046 -7.608 1.00 0.00 H new ATOM 877 N GLU A 57 7.369 -9.032 -3.672 1.00 0.00 N ATOM 878 CA GLU A 57 8.506 -8.835 -2.783 1.00 0.00 C ATOM 879 C GLU A 57 8.264 -7.621 -1.887 1.00 0.00 C ATOM 880 O GLU A 57 8.592 -7.635 -0.707 1.00 0.00 O ATOM 881 CB GLU A 57 9.786 -8.640 -3.580 1.00 0.00 C ATOM 882 CG GLU A 57 10.136 -9.795 -4.497 1.00 0.00 C ATOM 883 CD GLU A 57 10.305 -11.102 -3.761 1.00 0.00 C ATOM 884 OE1 GLU A 57 11.301 -11.261 -3.023 1.00 0.00 O ATOM 885 OE2 GLU A 57 9.470 -12.013 -3.939 1.00 0.00 O ATOM 0 H GLU A 57 7.586 -8.927 -4.663 1.00 0.00 H new ATOM 0 HA GLU A 57 8.616 -9.725 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.693 -7.733 -4.178 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.611 -8.481 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.354 -9.906 -5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.058 -9.562 -5.030 1.00 0.00 H new ATOM 892 N MET A 58 7.659 -6.593 -2.467 1.00 0.00 N ATOM 893 CA MET A 58 7.296 -5.374 -1.754 1.00 0.00 C ATOM 894 C MET A 58 6.292 -5.673 -0.683 1.00 0.00 C ATOM 895 O MET A 58 6.467 -5.278 0.448 1.00 0.00 O ATOM 896 CB MET A 58 6.721 -4.334 -2.707 1.00 0.00 C ATOM 897 CG MET A 58 7.732 -3.747 -3.664 1.00 0.00 C ATOM 898 SD MET A 58 8.867 -2.591 -2.910 1.00 0.00 S ATOM 899 CE MET A 58 9.707 -2.029 -4.380 1.00 0.00 C ATOM 0 H MET A 58 7.404 -6.581 -3.454 1.00 0.00 H new ATOM 0 HA MET A 58 8.203 -4.973 -1.300 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.915 -4.790 -3.282 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.279 -3.527 -2.123 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.303 -4.559 -4.115 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.201 -3.244 -4.472 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.778 -2.206 -4.277 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.331 -2.575 -5.245 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.527 -0.963 -4.517 1.00 0.00 H new ATOM 909 N ALA A 59 5.262 -6.409 -1.026 1.00 0.00 N ATOM 910 CA ALA A 59 4.223 -6.752 -0.070 1.00 0.00 C ATOM 911 C ALA A 59 4.814 -7.445 1.155 1.00 0.00 C ATOM 912 O ALA A 59 4.529 -7.087 2.295 1.00 0.00 O ATOM 913 CB ALA A 59 3.177 -7.624 -0.723 1.00 0.00 C ATOM 0 H ALA A 59 5.116 -6.786 -1.963 1.00 0.00 H new ATOM 0 HA ALA A 59 3.748 -5.830 0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.405 -7.873 0.005 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.728 -7.089 -1.560 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.642 -8.540 -1.086 1.00 0.00 H new ATOM 919 N GLN A 60 5.716 -8.359 0.900 1.00 0.00 N ATOM 920 CA GLN A 60 6.357 -9.135 1.948 1.00 0.00 C ATOM 921 C GLN A 60 7.455 -8.319 2.651 1.00 0.00 C ATOM 922 O GLN A 60 7.978 -8.713 3.705 1.00 0.00 O ATOM 923 CB GLN A 60 6.920 -10.401 1.341 1.00 0.00 C ATOM 924 CG GLN A 60 5.866 -11.192 0.595 1.00 0.00 C ATOM 925 CD GLN A 60 6.428 -12.352 -0.197 1.00 0.00 C ATOM 926 OE1 GLN A 60 7.450 -12.949 0.161 1.00 0.00 O ATOM 927 NE2 GLN A 60 5.776 -12.670 -1.285 1.00 0.00 N ATOM 0 H GLN A 60 6.032 -8.592 -0.041 1.00 0.00 H new ATOM 0 HA GLN A 60 5.620 -9.395 2.708 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.731 -10.146 0.659 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.348 -11.021 2.129 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.135 -11.571 1.309 1.00 0.00 H new ATOM 0 HG3 GLN A 60 5.334 -10.524 -0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.937 -12.153 -1.546 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.107 -13.435 -1.873 1.00 0.00 H new ATOM 936 N LEU A 61 7.781 -7.189 2.071 1.00 0.00 N ATOM 937 CA LEU A 61 8.773 -6.283 2.596 1.00 0.00 C ATOM 938 C LEU A 61 8.077 -5.411 3.642 1.00 0.00 C ATOM 939 O LEU A 61 8.388 -5.479 4.842 1.00 0.00 O ATOM 940 CB LEU A 61 9.298 -5.401 1.449 1.00 0.00 C ATOM 941 CG LEU A 61 10.617 -4.673 1.646 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.760 -5.663 1.624 1.00 0.00 C ATOM 943 CD2 LEU A 61 10.804 -3.632 0.555 1.00 0.00 C ATOM 0 H LEU A 61 7.355 -6.867 1.202 1.00 0.00 H new ATOM 0 HA LEU A 61 9.610 -6.821 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.394 -6.029 0.564 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.536 -4.654 1.228 1.00 0.00 H new ATOM 0 HG LEU A 61 10.605 -4.170 2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.702 -5.134 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.628 -6.390 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.775 -6.180 0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.752 -3.115 0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.807 -4.122 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.987 -2.911 0.596 1.00 0.00 H new ATOM 955 N LEU A 62 7.059 -4.659 3.190 1.00 0.00 N ATOM 956 CA LEU A 62 6.306 -3.757 4.061 1.00 0.00 C ATOM 957 C LEU A 62 5.669 -4.512 5.228 1.00 0.00 C ATOM 958 O LEU A 62 5.684 -4.034 6.366 1.00 0.00 O ATOM 959 CB LEU A 62 5.196 -2.959 3.301 1.00 0.00 C ATOM 960 CG LEU A 62 5.600 -1.864 2.277 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.494 -0.831 2.878 1.00 0.00 C ATOM 962 CD2 LEU A 62 6.221 -2.441 1.058 1.00 0.00 C ATOM 0 H LEU A 62 6.742 -4.662 2.221 1.00 0.00 H new ATOM 0 HA LEU A 62 7.035 -3.041 4.440 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.576 -3.685 2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.564 -2.485 4.052 1.00 0.00 H new ATOM 0 HG LEU A 62 4.673 -1.372 1.982 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.749 -0.087 2.123 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.982 -0.345 3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.405 -1.306 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.487 -1.638 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.118 -2.995 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.514 -3.114 0.573 1.00 0.00 H new ATOM 974 N ILE A 63 5.149 -5.704 4.948 1.00 0.00 N ATOM 975 CA ILE A 63 4.448 -6.509 5.955 1.00 0.00 C ATOM 976 C ILE A 63 5.407 -6.923 7.103 1.00 0.00 C ATOM 977 O ILE A 63 5.006 -7.043 8.262 1.00 0.00 O ATOM 978 CB ILE A 63 3.774 -7.763 5.264 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.467 -8.185 5.951 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.725 -8.957 5.150 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.607 -8.748 7.353 1.00 0.00 C ATOM 0 H ILE A 63 5.198 -6.140 4.027 1.00 0.00 H new ATOM 0 HA ILE A 63 3.659 -5.907 6.406 1.00 0.00 H new ATOM 0 HB ILE A 63 3.529 -7.435 4.254 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.805 -7.320 5.992 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.976 -8.932 5.328 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.210 -9.788 4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.593 -8.675 4.555 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.050 -9.259 6.145 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.622 -9.012 7.739 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.237 -9.637 7.327 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.063 -8.000 8.002 1.00 0.00 H new ATOM 993 N THR A 64 6.661 -7.062 6.787 1.00 0.00 N ATOM 994 CA THR A 64 7.614 -7.511 7.753 1.00 0.00 C ATOM 995 C THR A 64 8.241 -6.342 8.525 1.00 0.00 C ATOM 996 O THR A 64 8.402 -6.407 9.750 1.00 0.00 O ATOM 997 CB THR A 64 8.695 -8.369 7.068 1.00 0.00 C ATOM 998 OG1 THR A 64 8.048 -9.442 6.349 1.00 0.00 O ATOM 999 CG2 THR A 64 9.647 -8.965 8.089 1.00 0.00 C ATOM 0 H THR A 64 7.047 -6.869 5.863 1.00 0.00 H new ATOM 0 HA THR A 64 7.089 -8.126 8.484 1.00 0.00 H new ATOM 0 HB THR A 64 9.267 -7.736 6.390 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.059 -9.246 5.389 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.399 -9.566 7.578 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.137 -8.163 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.089 -9.595 8.782 1.00 0.00 H new ATOM 1007 N HIS A 65 8.555 -5.272 7.827 1.00 0.00 N ATOM 1008 CA HIS A 65 9.217 -4.143 8.463 1.00 0.00 C ATOM 1009 C HIS A 65 8.238 -3.265 9.215 1.00 0.00 C ATOM 1010 O HIS A 65 8.548 -2.761 10.286 1.00 0.00 O ATOM 1011 CB HIS A 65 10.027 -3.319 7.456 1.00 0.00 C ATOM 1012 CG HIS A 65 11.149 -4.085 6.820 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.220 -4.675 5.608 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.357 -4.331 7.430 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.456 -5.281 5.466 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.103 -5.041 6.590 1.00 0.00 N flip ATOM 0 H HIS A 65 8.367 -5.156 6.831 1.00 0.00 H new ATOM 0 HA HIS A 65 9.914 -4.559 9.191 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.359 -2.954 6.676 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.436 -2.443 7.960 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.479 -4.674 4.907 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.648 -4.005 8.418 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.816 -5.835 4.612 1.00 0.00 H new ATOM 1024 N PHE A 66 7.092 -3.041 8.629 1.00 0.00 N ATOM 1025 CA PHE A 66 6.041 -2.269 9.254 1.00 0.00 C ATOM 1026 C PHE A 66 5.080 -3.138 10.041 1.00 0.00 C ATOM 1027 O PHE A 66 4.933 -2.972 11.255 1.00 0.00 O ATOM 1028 CB PHE A 66 5.318 -1.458 8.193 1.00 0.00 C ATOM 1029 CG PHE A 66 6.247 -0.537 7.518 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.478 0.721 8.018 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.944 -0.958 6.417 1.00 0.00 C ATOM 1032 CE1 PHE A 66 7.396 1.537 7.416 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.845 -0.152 5.811 1.00 0.00 C ATOM 1034 CZ PHE A 66 8.078 1.088 6.305 1.00 0.00 C ATOM 0 H PHE A 66 6.856 -3.389 7.700 1.00 0.00 H new ATOM 0 HA PHE A 66 6.494 -1.591 9.977 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.867 -2.128 7.461 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.506 -0.893 8.651 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.935 1.066 8.886 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.771 -1.950 6.026 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.585 2.525 7.808 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.377 -0.496 4.936 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.803 1.729 5.825 1.00 0.00 H new ATOM 1044 N GLY A 67 4.441 -4.046 9.370 1.00 0.00 N ATOM 1045 CA GLY A 67 3.477 -4.904 10.003 1.00 0.00 C ATOM 1046 C GLY A 67 2.334 -5.147 9.069 1.00 0.00 C ATOM 1047 O GLY A 67 2.270 -4.499 8.052 1.00 0.00 O ATOM 0 H GLY A 67 4.569 -4.216 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.943 -5.850 10.279 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.116 -4.446 10.924 1.00 0.00 H new ATOM 1051 N PRO A 68 1.405 -6.048 9.391 1.00 0.00 N ATOM 1052 CA PRO A 68 0.284 -6.391 8.492 1.00 0.00 C ATOM 1053 C PRO A 68 -0.670 -5.225 8.241 1.00 0.00 C ATOM 1054 O PRO A 68 -1.099 -4.978 7.114 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.442 -7.525 9.231 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.002 -7.422 10.656 1.00 0.00 C ATOM 1057 CD PRO A 68 1.368 -6.815 10.644 1.00 0.00 C ATOM 0 HA PRO A 68 0.646 -6.666 7.502 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.523 -7.419 9.146 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.183 -8.496 8.810 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.693 -6.805 11.230 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.015 -8.405 11.127 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.528 -6.173 11.510 1.00 0.00 H new ATOM 0 HD3 PRO A 68 2.144 -7.580 10.667 1.00 0.00 H new ATOM 1065 N GLU A 69 -0.963 -4.497 9.283 1.00 0.00 N ATOM 1066 CA GLU A 69 -1.923 -3.417 9.216 1.00 0.00 C ATOM 1067 C GLU A 69 -1.210 -2.155 8.745 1.00 0.00 C ATOM 1068 O GLU A 69 -1.783 -1.297 8.061 1.00 0.00 O ATOM 1069 CB GLU A 69 -2.526 -3.209 10.613 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.012 -4.511 11.248 1.00 0.00 C ATOM 1071 CD GLU A 69 -3.535 -4.341 12.653 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -2.718 -4.114 13.585 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -4.768 -4.469 12.858 1.00 0.00 O ATOM 0 H GLU A 69 -0.546 -4.631 10.204 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.724 -3.652 8.515 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.779 -2.750 11.261 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.360 -2.511 10.543 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.799 -4.937 10.626 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.191 -5.228 11.259 1.00 0.00 H new ATOM 1080 N GLU A 70 0.054 -2.085 9.077 1.00 0.00 N ATOM 1081 CA GLU A 70 0.870 -0.950 8.773 1.00 0.00 C ATOM 1082 C GLU A 70 1.239 -0.963 7.288 1.00 0.00 C ATOM 1083 O GLU A 70 1.115 0.044 6.613 1.00 0.00 O ATOM 1084 CB GLU A 70 2.115 -0.986 9.648 1.00 0.00 C ATOM 1085 CG GLU A 70 2.792 0.356 9.831 1.00 0.00 C ATOM 1086 CD GLU A 70 1.901 1.319 10.561 1.00 0.00 C ATOM 1087 OE1 GLU A 70 1.568 1.052 11.734 1.00 0.00 O ATOM 1088 OE2 GLU A 70 1.490 2.345 9.979 1.00 0.00 O ATOM 0 H GLU A 70 0.547 -2.828 9.573 1.00 0.00 H new ATOM 0 HA GLU A 70 0.325 -0.029 8.977 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.844 -1.379 10.628 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.830 -1.683 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.721 0.225 10.385 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.057 0.768 8.857 1.00 0.00 H new ATOM 1095 N ALA A 71 1.658 -2.132 6.791 1.00 0.00 N ATOM 1096 CA ALA A 71 2.020 -2.341 5.375 1.00 0.00 C ATOM 1097 C ALA A 71 0.922 -1.891 4.448 1.00 0.00 C ATOM 1098 O ALA A 71 1.174 -1.185 3.468 1.00 0.00 O ATOM 1099 CB ALA A 71 2.284 -3.805 5.120 1.00 0.00 C ATOM 0 H ALA A 71 1.758 -2.971 7.362 1.00 0.00 H new ATOM 0 HA ALA A 71 2.914 -1.749 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.550 -3.950 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.105 -4.142 5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.388 -4.382 5.350 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.297 -2.290 4.763 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.435 -1.930 3.964 1.00 0.00 C ATOM 1107 C TRP A 72 -1.635 -0.419 3.940 1.00 0.00 C ATOM 1108 O TRP A 72 -1.843 0.175 2.861 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.699 -2.682 4.418 1.00 0.00 C ATOM 1110 CG TRP A 72 -3.955 -2.226 3.729 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.125 -1.884 4.330 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.151 -2.013 2.317 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.036 -1.490 3.388 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.459 -1.556 2.148 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.342 -2.168 1.185 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -5.981 -1.250 0.908 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.864 -1.863 -0.055 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.174 -1.408 -0.183 1.00 0.00 C ATOM 0 H TRP A 72 -0.516 -2.868 5.575 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.238 -2.240 2.938 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.562 -3.748 4.236 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -2.819 -2.556 5.494 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.309 -1.918 5.394 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -6.993 -1.194 3.579 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.326 -2.521 1.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -6.996 -0.897 0.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.250 -1.978 -0.936 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.560 -1.175 -1.165 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.514 0.210 5.100 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.665 1.644 5.174 1.00 0.00 C ATOM 1131 C ARG A 73 -0.563 2.314 4.367 1.00 0.00 C ATOM 1132 O ARG A 73 -0.827 3.222 3.592 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.664 2.158 6.616 1.00 0.00 C ATOM 1134 CG ARG A 73 -1.906 3.660 6.708 1.00 0.00 C ATOM 1135 CD ARG A 73 -1.842 4.169 8.133 1.00 0.00 C ATOM 1136 NE ARG A 73 -2.064 5.619 8.192 1.00 0.00 N ATOM 1137 CZ ARG A 73 -1.600 6.446 9.141 1.00 0.00 C ATOM 1138 NH1 ARG A 73 -0.887 5.977 10.161 1.00 0.00 N ATOM 1139 NH2 ARG A 73 -1.857 7.747 9.073 1.00 0.00 N ATOM 0 H ARG A 73 -1.314 -0.249 5.989 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.637 1.898 4.752 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.434 1.635 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.708 1.920 7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.164 4.182 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.883 3.894 6.285 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.592 3.659 8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.870 3.930 8.563 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.621 6.035 7.445 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.688 4.979 10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.539 6.615 10.877 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.408 8.118 8.299 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.504 8.375 9.795 1.00 0.00 H new ATOM 1153 N LEU A 74 0.661 1.811 4.527 1.00 0.00 N ATOM 1154 CA LEU A 74 1.826 2.298 3.798 1.00 0.00 C ATOM 1155 C LEU A 74 1.580 2.298 2.305 1.00 0.00 C ATOM 1156 O LEU A 74 1.853 3.278 1.643 1.00 0.00 O ATOM 1157 CB LEU A 74 3.085 1.467 4.124 1.00 0.00 C ATOM 1158 CG LEU A 74 4.042 2.004 5.211 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.700 3.290 4.761 1.00 0.00 C ATOM 1160 CD2 LEU A 74 3.331 2.222 6.528 1.00 0.00 C ATOM 0 H LEU A 74 0.871 1.049 5.171 1.00 0.00 H new ATOM 0 HA LEU A 74 1.998 3.324 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.760 0.472 4.426 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.656 1.350 3.203 1.00 0.00 H new ATOM 0 HG LEU A 74 4.810 1.246 5.364 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.369 3.649 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.271 3.107 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.935 4.041 4.565 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.039 2.600 7.266 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.527 2.946 6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.913 1.278 6.877 1.00 0.00 H new ATOM 1172 N ALA A 75 1.028 1.222 1.788 1.00 0.00 N ATOM 1173 CA ALA A 75 0.778 1.141 0.367 1.00 0.00 C ATOM 1174 C ALA A 75 -0.311 2.089 -0.077 1.00 0.00 C ATOM 1175 O ALA A 75 -0.069 2.934 -0.939 1.00 0.00 O ATOM 1176 CB ALA A 75 0.464 -0.264 -0.068 1.00 0.00 C ATOM 0 H ALA A 75 0.747 0.401 2.323 1.00 0.00 H new ATOM 0 HA ALA A 75 1.703 1.447 -0.122 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.283 -0.280 -1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.306 -0.915 0.168 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.425 -0.617 0.455 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.493 2.005 0.538 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.629 2.810 0.084 1.00 0.00 C ATOM 1184 C LEU A 76 -2.341 4.300 0.235 1.00 0.00 C ATOM 1185 O LEU A 76 -2.594 5.083 -0.669 1.00 0.00 O ATOM 1186 CB LEU A 76 -3.963 2.379 0.767 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.193 2.764 2.246 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -4.787 4.161 2.369 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.087 1.762 2.928 1.00 0.00 C ATOM 0 H LEU A 76 -1.687 1.400 1.336 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.766 2.620 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.784 2.797 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.039 1.294 0.691 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.221 2.761 2.739 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.937 4.401 3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.106 4.886 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.744 4.196 1.849 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.234 2.054 3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.051 1.729 2.420 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.624 0.776 2.890 1.00 0.00 H new ATOM 1201 N SER A 77 -1.730 4.659 1.334 1.00 0.00 N ATOM 1202 CA SER A 77 -1.412 6.023 1.618 1.00 0.00 C ATOM 1203 C SER A 77 -0.212 6.528 0.798 1.00 0.00 C ATOM 1204 O SER A 77 0.060 7.716 0.756 1.00 0.00 O ATOM 1205 CB SER A 77 -1.230 6.194 3.114 1.00 0.00 C ATOM 1206 OG SER A 77 -2.476 6.054 3.788 1.00 0.00 O ATOM 0 H SER A 77 -1.439 4.003 2.059 1.00 0.00 H new ATOM 0 HA SER A 77 -2.244 6.654 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.523 5.453 3.487 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.804 7.175 3.325 1.00 0.00 H new ATOM 0 HG SER A 77 -2.341 6.165 4.752 1.00 0.00 H new ATOM 1212 N THR A 78 0.479 5.638 0.132 1.00 0.00 N ATOM 1213 CA THR A 78 1.506 6.060 -0.768 1.00 0.00 C ATOM 1214 C THR A 78 0.910 6.199 -2.173 1.00 0.00 C ATOM 1215 O THR A 78 1.310 7.085 -2.928 1.00 0.00 O ATOM 1216 CB THR A 78 2.739 5.118 -0.742 1.00 0.00 C ATOM 1217 OG1 THR A 78 3.311 5.143 0.571 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.801 5.545 -1.741 1.00 0.00 C ATOM 0 H THR A 78 0.347 4.629 0.199 1.00 0.00 H new ATOM 0 HA THR A 78 1.880 7.031 -0.444 1.00 0.00 H new ATOM 0 HB THR A 78 2.403 4.116 -1.010 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.681 4.750 1.210 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.646 4.858 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.382 5.529 -2.747 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.138 6.554 -1.504 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.122 5.372 -2.476 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.811 5.403 -3.772 1.00 0.00 C ATOM 1228 C PHE A 79 -1.285 6.821 -4.080 1.00 0.00 C ATOM 1229 O PHE A 79 -0.931 7.396 -5.106 1.00 0.00 O ATOM 1230 CB PHE A 79 -2.045 4.469 -3.799 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.790 2.994 -3.678 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.577 2.433 -4.033 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.787 2.161 -3.198 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.370 1.081 -3.907 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.583 0.807 -3.074 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.371 0.264 -3.427 1.00 0.00 C ATOM 0 H PHE A 79 -0.490 4.674 -1.829 1.00 0.00 H new ATOM 0 HA PHE A 79 -0.093 5.061 -4.518 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.711 4.765 -2.988 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.581 4.644 -4.732 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.214 3.063 -4.412 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.741 2.582 -2.916 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.583 0.656 -4.186 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.373 0.172 -2.700 1.00 0.00 H new ATOM 0 HZ PHE A 79 -1.203 -0.798 -3.329 1.00 0.00 H new ATOM 1246 N GLU A 80 -2.035 7.389 -3.145 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.587 8.753 -3.258 1.00 0.00 C ATOM 1248 C GLU A 80 -1.510 9.811 -3.534 1.00 0.00 C ATOM 1249 O GLU A 80 -1.758 10.791 -4.223 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.343 9.131 -1.971 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.611 8.702 -0.710 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.060 9.391 0.578 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -2.593 10.527 0.852 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.841 8.809 1.361 1.00 0.00 O ATOM 0 H GLU A 80 -2.286 6.920 -2.275 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.267 8.741 -4.110 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.495 10.210 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.331 8.670 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.734 7.626 -0.588 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.546 8.887 -0.848 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.317 9.578 -3.036 1.00 0.00 N ATOM 1262 CA ARG A 81 0.749 10.559 -3.105 1.00 0.00 C ATOM 1263 C ARG A 81 1.666 10.328 -4.293 1.00 0.00 C ATOM 1264 O ARG A 81 2.455 11.200 -4.656 1.00 0.00 O ATOM 1265 CB ARG A 81 1.496 10.568 -1.785 1.00 0.00 C ATOM 1266 CG ARG A 81 0.552 10.882 -0.649 1.00 0.00 C ATOM 1267 CD ARG A 81 1.148 10.650 0.699 1.00 0.00 C ATOM 1268 NE ARG A 81 0.109 10.652 1.738 1.00 0.00 N ATOM 1269 CZ ARG A 81 0.344 10.620 3.045 1.00 0.00 C ATOM 1270 NH1 ARG A 81 1.586 10.677 3.498 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -0.664 10.538 3.895 1.00 0.00 N ATOM 0 H ARG A 81 -0.056 8.708 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 81 0.315 11.546 -3.268 1.00 0.00 H new ATOM 0 HB2 ARG A 81 1.966 9.598 -1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.296 11.308 -1.817 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.238 11.923 -0.725 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.344 10.270 -0.752 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.676 9.696 0.709 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.885 11.424 0.914 1.00 0.00 H new ATOM 0 HE ARG A 81 -0.864 10.680 1.433 1.00 0.00 H new ATOM 0 HH11 ARG A 81 2.365 10.746 2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 81 1.764 10.652 4.502 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -1.622 10.499 3.548 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.484 10.513 4.899 1.00 0.00 H new ATOM 1285 N ILE A 82 1.559 9.160 -4.905 1.00 0.00 N ATOM 1286 CA ILE A 82 2.299 8.874 -6.129 1.00 0.00 C ATOM 1287 C ILE A 82 1.368 9.054 -7.329 1.00 0.00 C ATOM 1288 O ILE A 82 1.650 8.584 -8.434 1.00 0.00 O ATOM 1289 CB ILE A 82 2.950 7.450 -6.150 1.00 0.00 C ATOM 1290 CG1 ILE A 82 1.895 6.335 -6.057 1.00 0.00 C ATOM 1291 CG2 ILE A 82 3.975 7.323 -5.029 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.457 4.929 -6.161 1.00 0.00 C ATOM 0 H ILE A 82 0.969 8.395 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 82 3.128 9.579 -6.178 1.00 0.00 H new ATOM 0 HB ILE A 82 3.458 7.331 -7.107 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.364 6.432 -5.110 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.161 6.479 -6.850 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.420 6.329 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 82 4.754 8.073 -5.162 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.484 7.476 -4.068 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.645 4.206 -6.086 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.962 4.809 -7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.169 4.761 -5.353 1.00 0.00 H new ATOM 1304 N ASN A 83 0.245 9.747 -7.070 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.783 10.119 -8.078 1.00 0.00 C ATOM 1306 C ASN A 83 -1.606 8.901 -8.513 1.00 0.00 C ATOM 1307 O ASN A 83 -2.334 8.900 -9.493 1.00 0.00 O ATOM 1308 CB ASN A 83 -0.148 10.909 -9.265 1.00 0.00 C ATOM 1309 CG ASN A 83 -1.151 11.481 -10.269 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -1.673 12.585 -10.088 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -1.406 10.762 -11.328 1.00 0.00 N ATOM 0 H ASN A 83 0.015 10.076 -6.132 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.495 10.802 -7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.446 11.728 -8.860 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.539 10.249 -9.795 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.053 11.109 -12.036 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -0.958 9.854 -11.448 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.540 7.892 -7.730 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.283 6.709 -7.979 1.00 0.00 C ATOM 1320 C ARG A 84 -3.484 6.647 -7.038 1.00 0.00 C ATOM 1321 O ARG A 84 -3.544 5.859 -6.104 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.390 5.481 -7.872 1.00 0.00 C ATOM 1323 CG ARG A 84 -2.098 4.167 -8.163 1.00 0.00 C ATOM 1324 CD ARG A 84 -2.774 4.196 -9.510 1.00 0.00 C ATOM 1325 NE ARG A 84 -1.799 4.316 -10.615 1.00 0.00 N ATOM 1326 CZ ARG A 84 -2.081 4.561 -11.906 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -3.285 4.988 -12.277 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -1.115 4.450 -12.804 1.00 0.00 N ATOM 0 H ARG A 84 -0.964 7.860 -6.889 1.00 0.00 H new ATOM 0 HA ARG A 84 -2.666 6.725 -8.999 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -0.555 5.592 -8.564 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -0.968 5.439 -6.868 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.378 3.349 -8.132 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -2.837 3.970 -7.387 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -3.361 3.287 -9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.471 5.033 -9.548 1.00 0.00 H new ATOM 0 HE ARG A 84 -0.815 4.201 -10.374 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.012 5.135 -11.577 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.481 5.169 -13.262 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.175 4.182 -12.512 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.310 4.632 -13.788 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.429 7.488 -7.300 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.600 7.610 -6.472 1.00 0.00 C ATOM 1344 C LYS A 85 -6.632 6.552 -6.866 1.00 0.00 C ATOM 1345 O LYS A 85 -7.508 6.185 -6.082 1.00 0.00 O ATOM 1346 CB LYS A 85 -6.120 9.058 -6.565 1.00 0.00 C ATOM 1347 CG LYS A 85 -7.562 9.278 -6.168 1.00 0.00 C ATOM 1348 CD LYS A 85 -7.946 10.734 -6.302 1.00 0.00 C ATOM 1349 CE LYS A 85 -9.453 10.912 -6.264 1.00 0.00 C ATOM 1350 NZ LYS A 85 -10.108 10.251 -7.423 1.00 0.00 N ATOM 0 H LYS A 85 -4.417 8.119 -8.101 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.367 7.419 -5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.492 9.688 -5.936 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.991 9.403 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.212 8.668 -6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.713 8.952 -5.139 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.489 11.309 -5.496 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.554 11.131 -7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.846 10.496 -5.336 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.695 11.975 -6.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.100 10.557 -7.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.612 10.514 -8.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.071 9.219 -7.301 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.433 6.009 -8.055 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.286 4.971 -8.640 1.00 0.00 C ATOM 1366 C ASP A 86 -7.381 3.774 -7.700 1.00 0.00 C ATOM 1367 O ASP A 86 -8.461 3.324 -7.339 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.683 4.483 -9.967 1.00 0.00 C ATOM 1369 CG ASP A 86 -6.289 5.604 -10.889 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -5.143 6.106 -10.761 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -7.086 6.011 -11.746 1.00 0.00 O ATOM 0 H ASP A 86 -5.658 6.279 -8.660 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.275 5.398 -8.805 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -5.807 3.870 -9.756 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.406 3.843 -10.473 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.221 3.289 -7.281 1.00 0.00 N ATOM 1377 CA LEU A 87 -6.139 2.119 -6.396 1.00 0.00 C ATOM 1378 C LEU A 87 -6.456 2.518 -4.975 1.00 0.00 C ATOM 1379 O LEU A 87 -6.977 1.731 -4.193 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.733 1.514 -6.432 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.239 0.988 -7.774 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -2.815 0.488 -7.647 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -5.134 -0.122 -8.269 1.00 0.00 C ATOM 0 H LEU A 87 -5.316 3.684 -7.537 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.862 1.382 -6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.030 2.271 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.699 0.695 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.265 1.804 -8.496 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.473 0.115 -8.612 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.170 1.305 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.776 -0.316 -6.912 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.766 -0.486 -9.228 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.134 -0.939 -7.547 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.149 0.256 -8.389 1.00 0.00 H new ATOM 1395 N TRP A 88 -6.153 3.746 -4.677 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.307 4.322 -3.369 1.00 0.00 C ATOM 1397 C TRP A 88 -7.764 4.290 -2.907 1.00 0.00 C ATOM 1398 O TRP A 88 -8.064 3.833 -1.798 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.779 5.744 -3.426 1.00 0.00 C ATOM 1400 CG TRP A 88 -5.955 6.515 -2.162 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.252 6.362 -1.033 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -6.900 7.567 -1.904 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -5.659 7.261 -0.096 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -6.674 8.010 -0.600 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -7.897 8.176 -2.653 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -7.408 9.037 -0.017 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -8.634 9.195 -2.083 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -8.383 9.620 -0.775 1.00 0.00 C ATOM 0 H TRP A 88 -5.777 4.401 -5.362 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.744 3.740 -2.640 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.718 5.716 -3.676 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.283 6.274 -4.234 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.472 5.629 -0.887 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.263 7.357 0.839 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.093 7.858 -3.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -7.215 9.361 0.995 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.416 9.671 -2.656 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -8.971 10.424 -0.357 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.655 4.737 -3.769 1.00 0.00 N ATOM 1420 CA GLU A 89 -10.079 4.774 -3.457 1.00 0.00 C ATOM 1421 C GLU A 89 -10.638 3.372 -3.281 1.00 0.00 C ATOM 1422 O GLU A 89 -11.537 3.152 -2.474 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.856 5.514 -4.539 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.414 6.944 -4.735 1.00 0.00 C ATOM 1425 CD GLU A 89 -11.216 7.658 -5.771 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -12.287 8.173 -5.452 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -10.784 7.748 -6.922 1.00 0.00 O ATOM 0 H GLU A 89 -8.420 5.083 -4.699 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.194 5.312 -2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.749 4.978 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -11.916 5.503 -4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -10.494 7.478 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.362 6.959 -5.021 1.00 0.00 H new ATOM 1434 N ARG A 90 -10.083 2.423 -4.024 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.506 1.033 -3.919 1.00 0.00 C ATOM 1436 C ARG A 90 -10.040 0.484 -2.589 1.00 0.00 C ATOM 1437 O ARG A 90 -10.713 -0.323 -1.963 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.885 0.164 -5.002 1.00 0.00 C ATOM 1439 CG ARG A 90 -10.039 0.632 -6.429 1.00 0.00 C ATOM 1440 CD ARG A 90 -9.504 -0.442 -7.353 1.00 0.00 C ATOM 1441 NE ARG A 90 -9.341 -0.001 -8.728 1.00 0.00 N ATOM 1442 CZ ARG A 90 -8.524 -0.594 -9.608 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -7.896 -1.728 -9.280 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -8.357 -0.068 -10.811 1.00 0.00 N ATOM 0 H ARG A 90 -9.341 2.590 -4.704 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.591 1.012 -4.022 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.820 0.068 -4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -10.317 -0.834 -4.924 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -11.087 0.832 -6.650 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.497 1.565 -6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -8.542 -0.788 -6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.180 -1.297 -7.332 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.880 0.807 -9.041 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.039 -2.142 -8.359 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.274 -2.179 -9.951 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -8.850 0.788 -11.066 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.735 -0.518 -11.483 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.865 0.935 -2.185 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.252 0.511 -0.959 1.00 0.00 C ATOM 1460 C GLY A 91 -9.046 0.891 0.259 1.00 0.00 C ATOM 1461 O GLY A 91 -9.143 0.111 1.206 1.00 0.00 O ATOM 0 H GLY A 91 -8.312 1.612 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.124 -0.571 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.256 0.948 -0.887 1.00 0.00 H new