USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 344 LYS NZ :NH3+ 157:sc= 1.01 (180deg=-0.034!) USER MOD Set 1.2: A 414 SER OG : rot 110:sc= -0.964 USER MOD Set 2.1: A 366 TYR OH : rot 7:sc= 0.0925 USER MOD Set 2.2: A 387 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 391 GLN : amide:sc= -0.0386 K(o=0.054,f=-0.55) USER MOD Set 3.1: A 353 ASN : amide:sc= 1.67 K(o=3.5,f=-3.9!) USER MOD Set 3.2: A 356 THR OG1 : rot 86:sc= 1.84 USER MOD Single : A 337 TYR OH : rot 6:sc= -2.22! USER MOD Single : A 338 SER OG : rot -142:sc= 1.25 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 350 LYS NZ :NH3+ -133:sc= 1.14 (180deg=-2.37) USER MOD Single : A 359 HIS : no HE2:sc= 1.06 K(o=1.1,f=-4.1!) USER MOD Single : A 367 GLN : amide:sc= 0.548 K(o=0.55,f=0) USER MOD Single : A 370 HIS : no HD1:sc= -0.0434 X(o=-0.043,f=-0.01) USER MOD Single : A 373 SER OG : rot -81:sc= 1.29 USER MOD Single : A 375 THR OG1 : rot -34:sc= 0.357 USER MOD Single : A 376 HIS : no HE2:sc= 1.19 K(o=1.2,f=-3.8!) USER MOD Single : A 379 CYS SG : rot -6:sc= 1.06 USER MOD Single : A 393 SER OG : rot -85:sc= 0.676 USER MOD Single : A 395 THR OG1 : rot 156:sc= 1.15 USER MOD Single : A 407 GLN : amide:sc= -0.568 X(o=-0.57,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 336 2.643 2.999 -12.419 1.00 0.00 N ATOM 25 CA LEU A 336 2.769 2.195 -11.214 1.00 0.00 C ATOM 26 C LEU A 336 3.016 3.090 -10.006 1.00 0.00 C ATOM 27 O LEU A 336 3.339 4.274 -10.151 1.00 0.00 O ATOM 28 CB LEU A 336 3.916 1.197 -11.444 1.00 0.00 C ATOM 29 CG LEU A 336 3.496 -0.129 -12.121 1.00 0.00 C ATOM 30 CD1 LEU A 336 3.536 -1.241 -11.075 1.00 0.00 C ATOM 31 CD2 LEU A 336 2.122 -0.158 -12.816 1.00 0.00 C ATOM 0 HA LEU A 336 1.851 1.646 -11.007 1.00 0.00 H new ATOM 0 HB2 LEU A 336 4.678 1.676 -12.058 1.00 0.00 H new ATOM 0 HB3 LEU A 336 4.378 0.968 -10.484 1.00 0.00 H new ATOM 0 HG LEU A 336 4.213 -0.262 -12.931 1.00 0.00 H new ATOM 0 HD11 LEU A 336 3.242 -2.184 -11.535 1.00 0.00 H new ATOM 0 HD12 LEU A 336 4.547 -1.330 -10.678 1.00 0.00 H new ATOM 0 HD13 LEU A 336 2.847 -1.003 -10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 336 1.953 -1.144 -13.248 1.00 0.00 H new ATOM 0 HD22 LEU A 336 1.341 0.057 -12.087 1.00 0.00 H new ATOM 0 HD23 LEU A 336 2.098 0.593 -13.606 1.00 0.00 H new ATOM 43 N TYR A 337 3.100 2.481 -8.827 1.00 0.00 N ATOM 44 CA TYR A 337 3.444 3.217 -7.620 1.00 0.00 C ATOM 45 C TYR A 337 4.933 3.109 -7.323 1.00 0.00 C ATOM 46 O TYR A 337 5.522 4.067 -6.827 1.00 0.00 O ATOM 47 CB TYR A 337 2.588 2.776 -6.436 1.00 0.00 C ATOM 48 CG TYR A 337 2.689 3.656 -5.197 1.00 0.00 C ATOM 49 CD1 TYR A 337 3.043 5.024 -5.256 1.00 0.00 C ATOM 50 CD2 TYR A 337 2.354 3.094 -3.958 1.00 0.00 C ATOM 51 CE1 TYR A 337 3.006 5.822 -4.103 1.00 0.00 C ATOM 52 CE2 TYR A 337 2.294 3.888 -2.800 1.00 0.00 C ATOM 53 CZ TYR A 337 2.598 5.260 -2.879 1.00 0.00 C ATOM 54 OH TYR A 337 2.686 6.009 -1.757 1.00 0.00 O ATOM 0 H TYR A 337 2.935 1.485 -8.684 1.00 0.00 H new ATOM 0 HA TYR A 337 3.224 4.271 -7.792 1.00 0.00 H new ATOM 0 HB2 TYR A 337 1.546 2.743 -6.754 1.00 0.00 H new ATOM 0 HB3 TYR A 337 2.870 1.759 -6.163 1.00 0.00 H new ATOM 0 HD1 TYR A 337 3.345 5.458 -6.198 1.00 0.00 H new ATOM 0 HD2 TYR A 337 2.139 2.038 -3.892 1.00 0.00 H new ATOM 0 HE1 TYR A 337 3.289 6.863 -4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 337 2.016 3.447 -1.854 1.00 0.00 H new ATOM 0 HH TYR A 337 2.955 6.921 -1.993 1.00 0.00 H new ATOM 64 N SER A 338 5.573 2.010 -7.724 1.00 0.00 N ATOM 65 CA SER A 338 7.023 1.863 -7.764 1.00 0.00 C ATOM 66 C SER A 338 7.714 2.898 -8.663 1.00 0.00 C ATOM 67 O SER A 338 8.928 3.068 -8.571 1.00 0.00 O ATOM 68 CB SER A 338 7.321 0.418 -8.165 1.00 0.00 C ATOM 69 OG SER A 338 6.726 0.139 -9.418 1.00 0.00 O ATOM 0 H SER A 338 5.080 1.175 -8.039 1.00 0.00 H new ATOM 0 HA SER A 338 7.443 2.067 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 338 8.398 0.260 -8.220 1.00 0.00 H new ATOM 0 HB3 SER A 338 6.937 -0.266 -7.409 1.00 0.00 H new ATOM 0 HG SER A 338 6.382 -0.779 -9.420 1.00 0.00 H new ATOM 75 N SER A 339 6.940 3.668 -9.442 1.00 0.00 N ATOM 76 CA SER A 339 7.405 4.869 -10.109 1.00 0.00 C ATOM 77 C SER A 339 8.037 5.786 -9.050 1.00 0.00 C ATOM 78 O SER A 339 9.092 6.353 -9.310 1.00 0.00 O ATOM 79 CB SER A 339 6.218 5.507 -10.853 1.00 0.00 C ATOM 80 OG SER A 339 6.623 6.405 -11.871 1.00 0.00 O ATOM 0 H SER A 339 5.958 3.460 -9.622 1.00 0.00 H new ATOM 0 HA SER A 339 8.170 4.663 -10.857 1.00 0.00 H new ATOM 0 HB2 SER A 339 5.606 4.720 -11.293 1.00 0.00 H new ATOM 0 HB3 SER A 339 5.590 6.037 -10.137 1.00 0.00 H new ATOM 0 HG SER A 339 5.831 6.779 -12.311 1.00 0.00 H new ATOM 86 N LEU A 340 7.332 6.108 -7.958 1.00 0.00 N ATOM 87 CA LEU A 340 7.904 6.565 -6.688 1.00 0.00 C ATOM 88 C LEU A 340 8.811 5.506 -6.023 1.00 0.00 C ATOM 89 O LEU A 340 8.246 4.616 -5.379 1.00 0.00 O ATOM 90 CB LEU A 340 6.796 7.052 -5.727 1.00 0.00 C ATOM 91 CG LEU A 340 6.611 8.579 -5.724 1.00 0.00 C ATOM 92 CD1 LEU A 340 5.315 8.922 -4.984 1.00 0.00 C ATOM 93 CD2 LEU A 340 7.794 9.282 -5.037 1.00 0.00 C ATOM 0 H LEU A 340 6.314 6.055 -7.935 1.00 0.00 H new ATOM 0 HA LEU A 340 8.550 7.412 -6.919 1.00 0.00 H new ATOM 0 HB2 LEU A 340 5.853 6.581 -6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 340 7.032 6.721 -4.716 1.00 0.00 H new ATOM 0 HG LEU A 340 6.563 8.926 -6.756 1.00 0.00 H new ATOM 0 HD11 LEU A 340 5.175 10.003 -4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 340 4.472 8.451 -5.489 1.00 0.00 H new ATOM 0 HD13 LEU A 340 5.374 8.557 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 340 7.634 10.360 -5.051 1.00 0.00 H new ATOM 0 HD22 LEU A 340 7.871 8.940 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 340 8.716 9.045 -5.568 1.00 0.00 H new ATOM 152 N LYS A 344 8.683 9.539 -0.023 1.00 0.00 N ATOM 153 CA LYS A 344 7.220 9.493 0.037 1.00 0.00 C ATOM 154 C LYS A 344 6.834 8.170 0.710 1.00 0.00 C ATOM 155 O LYS A 344 5.903 8.174 1.486 1.00 0.00 O ATOM 156 CB LYS A 344 6.539 9.767 -1.322 1.00 0.00 C ATOM 157 CG LYS A 344 4.993 9.916 -1.300 1.00 0.00 C ATOM 158 CD LYS A 344 4.425 11.035 -0.402 1.00 0.00 C ATOM 159 CE LYS A 344 2.895 11.216 -0.544 1.00 0.00 C ATOM 160 NZ LYS A 344 2.366 12.366 0.232 1.00 0.00 N ATOM 0 HA LYS A 344 6.836 10.314 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 344 6.965 10.679 -1.740 1.00 0.00 H new ATOM 0 HB3 LYS A 344 6.795 8.955 -2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 344 4.652 10.090 -2.320 1.00 0.00 H new ATOM 0 HG3 LYS A 344 4.563 8.968 -0.978 1.00 0.00 H new ATOM 0 HD2 LYS A 344 4.663 10.812 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 344 4.919 11.975 -0.648 1.00 0.00 H new ATOM 0 HE2 LYS A 344 2.648 11.353 -1.597 1.00 0.00 H new ATOM 0 HE3 LYS A 344 2.396 10.304 -0.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 1.464 12.678 -0.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 2.213 12.077 1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 3.050 13.149 0.202 1.00 0.00 H new ATOM 174 N ARG A 345 7.528 7.041 0.466 1.00 0.00 N ATOM 175 CA ARG A 345 7.245 5.762 1.139 1.00 0.00 C ATOM 176 C ARG A 345 7.237 5.899 2.667 1.00 0.00 C ATOM 177 O ARG A 345 6.416 5.254 3.302 1.00 0.00 O ATOM 178 CB ARG A 345 8.338 4.714 0.817 1.00 0.00 C ATOM 179 CG ARG A 345 8.467 4.251 -0.639 1.00 0.00 C ATOM 180 CD ARG A 345 7.502 3.132 -1.013 1.00 0.00 C ATOM 181 NE ARG A 345 7.036 3.320 -2.394 1.00 0.00 N ATOM 182 CZ ARG A 345 6.055 4.153 -2.747 1.00 0.00 C ATOM 183 NH1 ARG A 345 5.392 4.837 -1.816 1.00 0.00 N ATOM 184 NH2 ARG A 345 5.748 4.302 -4.021 1.00 0.00 N ATOM 0 H ARG A 345 8.298 6.992 -0.201 1.00 0.00 H new ATOM 0 HA ARG A 345 6.265 5.454 0.776 1.00 0.00 H new ATOM 0 HB2 ARG A 345 9.299 5.125 1.126 1.00 0.00 H new ATOM 0 HB3 ARG A 345 8.154 3.835 1.435 1.00 0.00 H new ATOM 0 HG2 ARG A 345 8.296 5.102 -1.298 1.00 0.00 H new ATOM 0 HG3 ARG A 345 9.488 3.912 -0.814 1.00 0.00 H new ATOM 0 HD2 ARG A 345 7.995 2.165 -0.914 1.00 0.00 H new ATOM 0 HD3 ARG A 345 6.653 3.128 -0.330 1.00 0.00 H new ATOM 0 HE ARG A 345 7.491 2.779 -3.129 1.00 0.00 H new ATOM 0 HH11 ARG A 345 5.634 4.725 -0.831 1.00 0.00 H new ATOM 0 HH12 ARG A 345 4.642 5.473 -2.088 1.00 0.00 H new ATOM 0 HH21 ARG A 345 6.260 3.781 -4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 345 4.999 4.938 -4.294 1.00 0.00 H new ATOM 198 N GLU A 346 8.110 6.717 3.244 1.00 0.00 N ATOM 199 CA GLU A 346 8.224 6.934 4.684 1.00 0.00 C ATOM 200 C GLU A 346 7.017 7.723 5.172 1.00 0.00 C ATOM 201 O GLU A 346 6.328 7.344 6.113 1.00 0.00 O ATOM 202 CB GLU A 346 9.532 7.684 5.002 1.00 0.00 C ATOM 203 CG GLU A 346 10.769 7.075 4.325 1.00 0.00 C ATOM 204 CD GLU A 346 11.029 5.649 4.800 1.00 0.00 C ATOM 205 OE1 GLU A 346 11.276 5.469 6.010 1.00 0.00 O ATOM 206 OE2 GLU A 346 10.946 4.711 3.980 1.00 0.00 O ATOM 0 H GLU A 346 8.780 7.266 2.706 1.00 0.00 H new ATOM 0 HA GLU A 346 8.249 5.973 5.199 1.00 0.00 H new ATOM 0 HB2 GLU A 346 9.431 8.723 4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 346 9.685 7.690 6.081 1.00 0.00 H new ATOM 0 HG2 GLU A 346 10.631 7.079 3.244 1.00 0.00 H new ATOM 0 HG3 GLU A 346 11.641 7.694 4.537 1.00 0.00 H new ATOM 213 N GLU A 347 6.749 8.838 4.507 1.00 0.00 N ATOM 214 CA GLU A 347 5.579 9.665 4.738 1.00 0.00 C ATOM 215 C GLU A 347 4.268 8.890 4.460 1.00 0.00 C ATOM 216 O GLU A 347 3.217 9.198 5.013 1.00 0.00 O ATOM 217 CB GLU A 347 5.817 10.933 3.910 1.00 0.00 C ATOM 218 CG GLU A 347 4.846 12.080 4.193 1.00 0.00 C ATOM 219 CD GLU A 347 3.954 12.284 2.981 1.00 0.00 C ATOM 220 OE1 GLU A 347 4.418 12.880 1.993 1.00 0.00 O ATOM 221 OE2 GLU A 347 2.835 11.728 2.973 1.00 0.00 O ATOM 0 H GLU A 347 7.358 9.200 3.773 1.00 0.00 H new ATOM 0 HA GLU A 347 5.443 9.954 5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 347 6.833 11.283 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 347 5.754 10.676 2.853 1.00 0.00 H new ATOM 0 HG2 GLU A 347 4.242 11.853 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 347 5.397 12.994 4.413 1.00 0.00 H new ATOM 228 N VAL A 348 4.312 7.834 3.652 1.00 0.00 N ATOM 229 CA VAL A 348 3.238 6.876 3.440 1.00 0.00 C ATOM 230 C VAL A 348 3.187 5.818 4.543 1.00 0.00 C ATOM 231 O VAL A 348 2.093 5.349 4.818 1.00 0.00 O ATOM 232 CB VAL A 348 3.327 6.292 2.025 1.00 0.00 C ATOM 233 CG1 VAL A 348 2.290 5.197 1.740 1.00 0.00 C ATOM 234 CG2 VAL A 348 3.119 7.389 0.963 1.00 0.00 C ATOM 0 H VAL A 348 5.142 7.615 3.101 1.00 0.00 H new ATOM 0 HA VAL A 348 2.282 7.395 3.510 1.00 0.00 H new ATOM 0 HB VAL A 348 4.325 5.856 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 348 2.416 4.833 0.720 1.00 0.00 H new ATOM 0 HG12 VAL A 348 2.430 4.373 2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 348 1.287 5.606 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 348 3.187 6.950 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 348 2.136 7.841 1.094 1.00 0.00 H new ATOM 0 HG23 VAL A 348 3.887 8.154 1.075 1.00 0.00 H new ATOM 244 N GLU A 349 4.284 5.445 5.207 1.00 0.00 N ATOM 245 CA GLU A 349 4.169 4.695 6.468 1.00 0.00 C ATOM 246 C GLU A 349 3.345 5.498 7.484 1.00 0.00 C ATOM 247 O GLU A 349 2.612 4.920 8.286 1.00 0.00 O ATOM 248 CB GLU A 349 5.512 4.289 7.093 1.00 0.00 C ATOM 249 CG GLU A 349 6.348 3.325 6.235 1.00 0.00 C ATOM 250 CD GLU A 349 6.897 2.128 7.036 1.00 0.00 C ATOM 251 OE1 GLU A 349 7.346 2.338 8.189 1.00 0.00 O ATOM 252 OE2 GLU A 349 6.965 1.002 6.483 1.00 0.00 O ATOM 0 H GLU A 349 5.239 5.641 4.907 1.00 0.00 H new ATOM 0 HA GLU A 349 3.665 3.763 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 349 6.098 5.189 7.282 1.00 0.00 H new ATOM 0 HB3 GLU A 349 5.323 3.824 8.060 1.00 0.00 H new ATOM 0 HG2 GLU A 349 5.736 2.955 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 349 7.181 3.871 5.791 1.00 0.00 H new ATOM 259 N LYS A 350 3.411 6.834 7.422 1.00 0.00 N ATOM 260 CA LYS A 350 2.463 7.702 8.113 1.00 0.00 C ATOM 261 C LYS A 350 1.046 7.634 7.506 1.00 0.00 C ATOM 262 O LYS A 350 0.100 7.616 8.288 1.00 0.00 O ATOM 263 CB LYS A 350 3.098 9.110 8.187 1.00 0.00 C ATOM 264 CG LYS A 350 2.222 10.299 8.622 1.00 0.00 C ATOM 265 CD LYS A 350 2.285 11.500 7.644 1.00 0.00 C ATOM 266 CE LYS A 350 1.301 11.333 6.475 1.00 0.00 C ATOM 267 NZ LYS A 350 1.533 12.250 5.330 1.00 0.00 N ATOM 0 H LYS A 350 4.122 7.337 6.892 1.00 0.00 H new ATOM 0 HA LYS A 350 2.286 7.363 9.134 1.00 0.00 H new ATOM 0 HB2 LYS A 350 3.943 9.055 8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 350 3.502 9.342 7.202 1.00 0.00 H new ATOM 0 HG2 LYS A 350 1.188 9.966 8.710 1.00 0.00 H new ATOM 0 HG3 LYS A 350 2.536 10.629 9.612 1.00 0.00 H new ATOM 0 HD2 LYS A 350 2.058 12.420 8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 350 3.298 11.600 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 350 1.356 10.305 6.116 1.00 0.00 H new ATOM 0 HE3 LYS A 350 0.288 11.487 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 0.631 12.677 5.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 2.195 13.000 5.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 1.936 11.716 4.534 1.00 0.00 H new ATOM 281 N LEU A 351 0.855 7.603 6.176 1.00 0.00 N ATOM 282 CA LEU A 351 -0.500 7.595 5.594 1.00 0.00 C ATOM 283 C LEU A 351 -1.192 6.231 5.554 1.00 0.00 C ATOM 284 O LEU A 351 -2.221 6.048 6.195 1.00 0.00 O ATOM 285 CB LEU A 351 -0.481 8.047 4.129 1.00 0.00 C ATOM 286 CG LEU A 351 -0.057 9.478 3.836 1.00 0.00 C ATOM 287 CD1 LEU A 351 0.228 9.571 2.334 1.00 0.00 C ATOM 288 CD2 LEU A 351 -1.149 10.436 4.331 1.00 0.00 C ATOM 0 H LEU A 351 1.610 7.583 5.491 1.00 0.00 H new ATOM 0 HA LEU A 351 -1.043 8.266 6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 351 0.186 7.381 3.581 1.00 0.00 H new ATOM 0 HB3 LEU A 351 -1.481 7.903 3.721 1.00 0.00 H new ATOM 0 HG LEU A 351 0.853 9.767 4.362 1.00 0.00 H new ATOM 0 HD11 LEU A 351 0.536 10.586 2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 351 1.025 8.875 2.071 1.00 0.00 H new ATOM 0 HD13 LEU A 351 -0.674 9.318 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 351 -0.852 11.464 4.124 1.00 0.00 H new ATOM 0 HD22 LEU A 351 -2.085 10.218 3.816 1.00 0.00 H new ATOM 0 HD23 LEU A 351 -1.287 10.307 5.405 1.00 0.00 H new ATOM 300 N LEU A 352 -0.623 5.258 4.826 1.00 0.00 N ATOM 301 CA LEU A 352 -1.018 3.853 4.731 1.00 0.00 C ATOM 302 C LEU A 352 -0.498 3.241 6.027 1.00 0.00 C ATOM 303 O LEU A 352 0.411 2.426 6.012 1.00 0.00 O ATOM 304 CB LEU A 352 -0.518 3.165 3.421 1.00 0.00 C ATOM 305 CG LEU A 352 -1.198 3.592 2.088 1.00 0.00 C ATOM 306 CD1 LEU A 352 -0.604 2.912 0.847 1.00 0.00 C ATOM 307 CD2 LEU A 352 -2.697 3.271 2.032 1.00 0.00 C ATOM 0 H LEU A 352 0.191 5.454 4.243 1.00 0.00 H new ATOM 0 HA LEU A 352 -2.096 3.716 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 352 0.552 3.351 3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -0.645 2.089 3.535 1.00 0.00 H new ATOM 0 HG LEU A 352 -1.020 4.667 2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -1.128 3.259 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 352 0.454 3.162 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -0.715 1.831 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -3.103 3.597 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -2.843 2.196 2.142 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -3.211 3.791 2.840 1.00 0.00 H new ATOM 319 N ASN A 353 -1.009 3.746 7.152 1.00 0.00 N ATOM 320 CA ASN A 353 -0.494 3.531 8.491 1.00 0.00 C ATOM 321 C ASN A 353 -0.619 2.069 8.896 1.00 0.00 C ATOM 322 O ASN A 353 -1.349 1.302 8.260 1.00 0.00 O ATOM 323 CB ASN A 353 -1.229 4.439 9.501 1.00 0.00 C ATOM 324 CG ASN A 353 -2.467 3.765 10.098 1.00 0.00 C ATOM 325 OD1 ASN A 353 -3.402 3.406 9.391 1.00 0.00 O ATOM 326 ND2 ASN A 353 -2.487 3.514 11.397 1.00 0.00 N ATOM 0 H ASN A 353 -1.835 4.345 7.145 1.00 0.00 H new ATOM 0 HA ASN A 353 0.565 3.791 8.494 1.00 0.00 H new ATOM 0 HB2 ASN A 353 -0.545 4.713 10.304 1.00 0.00 H new ATOM 0 HB3 ASN A 353 -1.525 5.364 9.006 1.00 0.00 H new ATOM 0 HD21 ASN A 353 -3.280 3.022 11.809 1.00 0.00 H new ATOM 0 HD22 ASN A 353 -1.710 3.812 11.986 1.00 0.00 H new ATOM 333 N GLY A 354 0.020 1.726 10.021 1.00 0.00 N ATOM 334 CA GLY A 354 -0.074 0.457 10.735 1.00 0.00 C ATOM 335 C GLY A 354 -1.486 0.171 11.249 1.00 0.00 C ATOM 336 O GLY A 354 -1.702 0.156 12.454 1.00 0.00 O ATOM 0 H GLY A 354 0.658 2.374 10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 354 0.238 -0.351 10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 354 0.619 0.466 11.576 1.00 0.00 H new ATOM 340 N ASP A 355 -2.406 -0.083 10.322 1.00 0.00 N ATOM 341 CA ASP A 355 -3.774 -0.582 10.433 1.00 0.00 C ATOM 342 C ASP A 355 -4.454 -0.426 9.074 1.00 0.00 C ATOM 343 O ASP A 355 -4.933 -1.409 8.501 1.00 0.00 O ATOM 344 CB ASP A 355 -4.626 0.138 11.491 1.00 0.00 C ATOM 345 CG ASP A 355 -6.092 -0.274 11.317 1.00 0.00 C ATOM 346 OD1 ASP A 355 -6.386 -1.476 11.470 1.00 0.00 O ATOM 347 OD2 ASP A 355 -6.901 0.596 10.918 1.00 0.00 O ATOM 0 H ASP A 355 -2.176 0.079 9.342 1.00 0.00 H new ATOM 0 HA ASP A 355 -3.703 -1.623 10.750 1.00 0.00 H new ATOM 0 HB2 ASP A 355 -4.279 -0.119 12.492 1.00 0.00 H new ATOM 0 HB3 ASP A 355 -4.524 1.218 11.385 1.00 0.00 H new ATOM 352 N THR A 356 -4.464 0.793 8.519 1.00 0.00 N ATOM 353 CA THR A 356 -5.147 1.015 7.255 1.00 0.00 C ATOM 354 C THR A 356 -4.487 0.200 6.154 1.00 0.00 C ATOM 355 O THR A 356 -5.193 -0.355 5.311 1.00 0.00 O ATOM 356 CB THR A 356 -5.155 2.499 6.846 1.00 0.00 C ATOM 357 OG1 THR A 356 -5.589 3.330 7.906 1.00 0.00 O ATOM 358 CG2 THR A 356 -6.101 2.661 5.649 1.00 0.00 C ATOM 0 H THR A 356 -4.016 1.617 8.920 1.00 0.00 H new ATOM 0 HA THR A 356 -6.181 0.698 7.393 1.00 0.00 H new ATOM 0 HB THR A 356 -4.140 2.799 6.587 1.00 0.00 H new ATOM 0 HG1 THR A 356 -4.827 3.551 8.482 1.00 0.00 H new ATOM 0 HG21 THR A 356 -6.123 3.706 5.341 1.00 0.00 H new ATOM 0 HG22 THR A 356 -5.748 2.046 4.821 1.00 0.00 H new ATOM 0 HG23 THR A 356 -7.105 2.346 5.933 1.00 0.00 H new ATOM 366 N TRP A 357 -3.150 0.142 6.131 1.00 0.00 N ATOM 367 CA TRP A 357 -2.461 -0.698 5.172 1.00 0.00 C ATOM 368 C TRP A 357 -3.034 -2.125 5.249 1.00 0.00 C ATOM 369 O TRP A 357 -3.421 -2.665 4.231 1.00 0.00 O ATOM 370 CB TRP A 357 -0.940 -0.641 5.319 1.00 0.00 C ATOM 371 CG TRP A 357 -0.346 -1.684 6.218 1.00 0.00 C ATOM 372 CD1 TRP A 357 -0.114 -1.598 7.544 1.00 0.00 C ATOM 373 CD2 TRP A 357 -0.042 -3.060 5.857 1.00 0.00 C ATOM 374 NE1 TRP A 357 0.231 -2.839 8.042 1.00 0.00 N ATOM 375 CE2 TRP A 357 0.331 -3.772 7.028 1.00 0.00 C ATOM 376 CE3 TRP A 357 -0.136 -3.799 4.662 1.00 0.00 C ATOM 377 CZ2 TRP A 357 0.647 -5.134 6.966 1.00 0.00 C ATOM 378 CZ3 TRP A 357 0.244 -5.150 4.593 1.00 0.00 C ATOM 379 CH2 TRP A 357 0.651 -5.809 5.754 1.00 0.00 C ATOM 0 H TRP A 357 -2.540 0.663 6.761 1.00 0.00 H new ATOM 0 HA TRP A 357 -2.644 -0.313 4.169 1.00 0.00 H new ATOM 0 HB2 TRP A 357 -0.492 -0.738 4.330 1.00 0.00 H new ATOM 0 HB3 TRP A 357 -0.664 0.343 5.699 1.00 0.00 H new ATOM 0 HD1 TRP A 357 -0.187 -0.693 8.129 1.00 0.00 H new ATOM 0 HE1 TRP A 357 0.391 -3.040 9.029 1.00 0.00 H new ATOM 0 HE3 TRP A 357 -0.511 -3.313 3.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 357 0.891 -5.666 7.873 1.00 0.00 H new ATOM 0 HZ3 TRP A 357 0.221 -5.674 3.649 1.00 0.00 H new ATOM 0 HH2 TRP A 357 0.968 -6.840 5.709 1.00 0.00 H new ATOM 390 N ARG A 358 -3.043 -2.757 6.434 1.00 0.00 N ATOM 391 CA ARG A 358 -3.646 -4.064 6.726 1.00 0.00 C ATOM 392 C ARG A 358 -5.011 -4.266 6.077 1.00 0.00 C ATOM 393 O ARG A 358 -5.223 -5.322 5.488 1.00 0.00 O ATOM 394 CB ARG A 358 -3.626 -4.389 8.236 1.00 0.00 C ATOM 395 CG ARG A 358 -2.574 -5.447 8.637 1.00 0.00 C ATOM 396 CD ARG A 358 -3.184 -6.806 9.028 1.00 0.00 C ATOM 397 NE ARG A 358 -2.192 -7.679 9.691 1.00 0.00 N ATOM 398 CZ ARG A 358 -2.119 -9.022 9.665 1.00 0.00 C ATOM 399 NH1 ARG A 358 -2.875 -9.748 8.851 1.00 0.00 N ATOM 400 NH2 ARG A 358 -1.278 -9.637 10.487 1.00 0.00 N ATOM 0 H ARG A 358 -2.605 -2.345 7.258 1.00 0.00 H new ATOM 0 HA ARG A 358 -3.007 -4.806 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 358 -3.434 -3.471 8.792 1.00 0.00 H new ATOM 0 HB3 ARG A 358 -4.613 -4.742 8.534 1.00 0.00 H new ATOM 0 HG2 ARG A 358 -1.884 -5.594 7.806 1.00 0.00 H new ATOM 0 HG3 ARG A 358 -1.989 -5.066 9.474 1.00 0.00 H new ATOM 0 HD2 ARG A 358 -4.032 -6.646 9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 358 -3.568 -7.303 8.137 1.00 0.00 H new ATOM 0 HE ARG A 358 -1.473 -7.204 10.236 1.00 0.00 H new ATOM 0 HH11 ARG A 358 -3.534 -9.289 8.222 1.00 0.00 H new ATOM 0 HH12 ARG A 358 -2.797 -10.765 8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 358 -0.699 -9.092 11.126 1.00 0.00 H new ATOM 0 HH22 ARG A 358 -1.211 -10.655 10.480 1.00 0.00 H new ATOM 414 N HIS A 359 -5.929 -3.299 6.219 1.00 0.00 N ATOM 415 CA HIS A 359 -7.231 -3.345 5.551 1.00 0.00 C ATOM 416 C HIS A 359 -6.999 -3.497 4.044 1.00 0.00 C ATOM 417 O HIS A 359 -7.409 -4.471 3.418 1.00 0.00 O ATOM 418 CB HIS A 359 -8.055 -2.061 5.794 1.00 0.00 C ATOM 419 CG HIS A 359 -8.595 -1.778 7.175 1.00 0.00 C ATOM 420 ND1 HIS A 359 -7.903 -1.679 8.368 1.00 0.00 N ATOM 421 CD2 HIS A 359 -9.881 -1.374 7.416 1.00 0.00 C ATOM 422 CE1 HIS A 359 -8.775 -1.266 9.306 1.00 0.00 C ATOM 423 NE2 HIS A 359 -9.984 -1.024 8.763 1.00 0.00 N ATOM 0 H HIS A 359 -5.788 -2.470 6.796 1.00 0.00 H new ATOM 0 HA HIS A 359 -7.790 -4.187 5.959 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -7.433 -1.214 5.506 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -8.903 -2.082 5.109 1.00 0.00 H new ATOM 0 HD1 HIS A 359 -6.914 -1.882 8.511 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -10.678 -1.333 6.689 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -8.538 -1.145 10.353 1.00 0.00 H new ATOM 431 N LEU A 360 -6.317 -2.503 3.476 1.00 0.00 N ATOM 432 CA LEU A 360 -6.044 -2.343 2.065 1.00 0.00 C ATOM 433 C LEU A 360 -5.315 -3.545 1.463 1.00 0.00 C ATOM 434 O LEU A 360 -5.577 -3.899 0.323 1.00 0.00 O ATOM 435 CB LEU A 360 -5.268 -1.031 1.960 1.00 0.00 C ATOM 436 CG LEU A 360 -4.681 -0.737 0.585 1.00 0.00 C ATOM 437 CD1 LEU A 360 -5.768 -0.495 -0.455 1.00 0.00 C ATOM 438 CD2 LEU A 360 -3.840 0.519 0.741 1.00 0.00 C ATOM 0 H LEU A 360 -5.920 -1.746 4.032 1.00 0.00 H new ATOM 0 HA LEU A 360 -6.959 -2.299 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 360 -5.931 -0.211 2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 360 -4.457 -1.047 2.688 1.00 0.00 H new ATOM 0 HG LEU A 360 -4.095 -1.588 0.238 1.00 0.00 H new ATOM 0 HD11 LEU A 360 -5.308 -0.289 -1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 360 -6.399 -1.380 -0.535 1.00 0.00 H new ATOM 0 HD13 LEU A 360 -6.376 0.358 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU A 360 -3.392 0.778 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 360 -4.472 1.340 1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 360 -3.052 0.341 1.473 1.00 0.00 H new ATOM 450 N ALA A 361 -4.380 -4.144 2.192 1.00 0.00 N ATOM 451 CA ALA A 361 -3.560 -5.275 1.798 1.00 0.00 C ATOM 452 C ALA A 361 -4.432 -6.386 1.192 1.00 0.00 C ATOM 453 O ALA A 361 -4.116 -6.870 0.108 1.00 0.00 O ATOM 454 CB ALA A 361 -2.674 -5.691 2.989 1.00 0.00 C ATOM 0 H ALA A 361 -4.163 -3.828 3.137 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.871 -5.011 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.054 -6.540 2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -2.035 -4.856 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.306 -5.971 3.832 1.00 0.00 H new ATOM 460 N GLY A 362 -5.534 -6.759 1.855 1.00 0.00 N ATOM 461 CA GLY A 362 -6.478 -7.746 1.338 1.00 0.00 C ATOM 462 C GLY A 362 -7.152 -7.286 0.045 1.00 0.00 C ATOM 463 O GLY A 362 -7.225 -8.044 -0.923 1.00 0.00 O ATOM 0 H GLY A 362 -5.793 -6.381 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 362 -5.955 -8.685 1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 362 -7.240 -7.945 2.091 1.00 0.00 H new ATOM 467 N GLU A 363 -7.619 -6.035 0.009 1.00 0.00 N ATOM 468 CA GLU A 363 -8.141 -5.397 -1.198 1.00 0.00 C ATOM 469 C GLU A 363 -7.149 -5.356 -2.366 1.00 0.00 C ATOM 470 O GLU A 363 -7.575 -5.247 -3.516 1.00 0.00 O ATOM 471 CB GLU A 363 -8.560 -3.954 -0.859 1.00 0.00 C ATOM 472 CG GLU A 363 -10.049 -3.704 -0.668 1.00 0.00 C ATOM 473 CD GLU A 363 -10.781 -4.501 0.409 1.00 0.00 C ATOM 474 OE1 GLU A 363 -10.757 -4.075 1.581 1.00 0.00 O ATOM 475 OE2 GLU A 363 -11.650 -5.324 0.030 1.00 0.00 O ATOM 0 H GLU A 363 -7.645 -5.430 0.830 1.00 0.00 H new ATOM 0 HA GLU A 363 -8.985 -6.004 -1.525 1.00 0.00 H new ATOM 0 HB2 GLU A 363 -8.045 -3.655 0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 363 -8.204 -3.300 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 363 -10.183 -2.645 -0.448 1.00 0.00 H new ATOM 0 HG3 GLU A 363 -10.544 -3.897 -1.620 1.00 0.00 H new ATOM 482 N LEU A 364 -5.847 -5.469 -2.109 1.00 0.00 N ATOM 483 CA LEU A 364 -4.800 -5.367 -3.121 1.00 0.00 C ATOM 484 C LEU A 364 -4.440 -6.720 -3.736 1.00 0.00 C ATOM 485 O LEU A 364 -3.334 -6.892 -4.251 1.00 0.00 O ATOM 486 CB LEU A 364 -3.598 -4.600 -2.545 1.00 0.00 C ATOM 487 CG LEU A 364 -3.865 -3.090 -2.418 1.00 0.00 C ATOM 488 CD1 LEU A 364 -2.598 -2.396 -1.926 1.00 0.00 C ATOM 489 CD2 LEU A 364 -4.304 -2.445 -3.734 1.00 0.00 C ATOM 0 H LEU A 364 -5.484 -5.638 -1.171 1.00 0.00 H new ATOM 0 HA LEU A 364 -5.180 -4.790 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 364 -3.350 -5.005 -1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 364 -2.730 -4.759 -3.185 1.00 0.00 H new ATOM 0 HG LEU A 364 -4.684 -2.970 -1.709 1.00 0.00 H new ATOM 0 HD11 LEU A 364 -2.782 -1.326 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 364 -2.316 -2.800 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 364 -1.790 -2.566 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 364 -4.476 -1.380 -3.578 1.00 0.00 H new ATOM 0 HD22 LEU A 364 -3.524 -2.580 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 364 -5.225 -2.915 -4.080 1.00 0.00 H new ATOM 501 N GLY A 365 -5.407 -7.639 -3.781 1.00 0.00 N ATOM 502 CA GLY A 365 -5.234 -8.997 -4.282 1.00 0.00 C ATOM 503 C GLY A 365 -4.064 -9.747 -3.660 1.00 0.00 C ATOM 504 O GLY A 365 -3.447 -10.575 -4.329 1.00 0.00 O ATOM 0 H GLY A 365 -6.357 -7.450 -3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 365 -6.150 -9.559 -4.099 1.00 0.00 H new ATOM 0 HA3 GLY A 365 -5.094 -8.959 -5.362 1.00 0.00 H new ATOM 508 N TYR A 366 -3.808 -9.517 -2.374 1.00 0.00 N ATOM 509 CA TYR A 366 -2.854 -10.277 -1.595 1.00 0.00 C ATOM 510 C TYR A 366 -3.624 -10.985 -0.484 1.00 0.00 C ATOM 511 O TYR A 366 -4.192 -10.345 0.400 1.00 0.00 O ATOM 512 CB TYR A 366 -1.734 -9.352 -1.098 1.00 0.00 C ATOM 513 CG TYR A 366 -0.603 -9.048 -2.077 1.00 0.00 C ATOM 514 CD1 TYR A 366 -0.077 -10.054 -2.913 1.00 0.00 C ATOM 515 CD2 TYR A 366 0.047 -7.803 -1.989 1.00 0.00 C ATOM 516 CE1 TYR A 366 1.084 -9.819 -3.661 1.00 0.00 C ATOM 517 CE2 TYR A 366 1.229 -7.575 -2.710 1.00 0.00 C ATOM 518 CZ TYR A 366 1.743 -8.577 -3.557 1.00 0.00 C ATOM 519 OH TYR A 366 2.905 -8.358 -4.225 1.00 0.00 O ATOM 0 H TYR A 366 -4.271 -8.781 -1.841 1.00 0.00 H new ATOM 0 HA TYR A 366 -2.353 -11.043 -2.187 1.00 0.00 H new ATOM 0 HB2 TYR A 366 -2.184 -8.406 -0.796 1.00 0.00 H new ATOM 0 HB3 TYR A 366 -1.298 -9.798 -0.204 1.00 0.00 H new ATOM 0 HD1 TYR A 366 -0.572 -11.012 -2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 366 -0.364 -7.022 -1.366 1.00 0.00 H new ATOM 0 HE1 TYR A 366 1.473 -10.586 -4.315 1.00 0.00 H new ATOM 0 HE2 TYR A 366 1.745 -6.631 -2.616 1.00 0.00 H new ATOM 0 HH TYR A 366 3.090 -9.117 -4.816 1.00 0.00 H new ATOM 529 N GLN A 367 -3.706 -12.316 -0.591 1.00 0.00 N ATOM 530 CA GLN A 367 -4.322 -13.196 0.399 1.00 0.00 C ATOM 531 C GLN A 367 -3.766 -12.922 1.812 1.00 0.00 C ATOM 532 O GLN A 367 -2.643 -12.424 1.929 1.00 0.00 O ATOM 533 CB GLN A 367 -4.092 -14.660 -0.031 1.00 0.00 C ATOM 534 CG GLN A 367 -5.382 -15.347 -0.506 1.00 0.00 C ATOM 535 CD GLN A 367 -5.231 -16.862 -0.660 1.00 0.00 C ATOM 536 OE1 GLN A 367 -5.551 -17.415 -1.707 1.00 0.00 O ATOM 537 NE2 GLN A 367 -4.790 -17.565 0.371 1.00 0.00 N ATOM 0 H GLN A 367 -3.333 -12.822 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 367 -5.394 -13.002 0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 367 -3.354 -14.687 -0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 367 -3.674 -15.219 0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 367 -6.181 -15.138 0.205 1.00 0.00 H new ATOM 0 HG3 GLN A 367 -5.685 -14.919 -1.462 1.00 0.00 H new ATOM 0 HE21 GLN A 367 -4.527 -17.092 1.236 1.00 0.00 H new ATOM 0 HE22 GLN A 367 -4.713 -18.580 0.301 1.00 0.00 H new ATOM 546 N PRO A 368 -4.476 -13.297 2.895 1.00 0.00 N ATOM 547 CA PRO A 368 -4.096 -12.904 4.247 1.00 0.00 C ATOM 548 C PRO A 368 -2.727 -13.440 4.665 1.00 0.00 C ATOM 549 O PRO A 368 -2.040 -12.768 5.428 1.00 0.00 O ATOM 550 CB PRO A 368 -5.225 -13.373 5.168 1.00 0.00 C ATOM 551 CG PRO A 368 -5.898 -14.492 4.378 1.00 0.00 C ATOM 552 CD PRO A 368 -5.710 -14.065 2.923 1.00 0.00 C ATOM 0 HA PRO A 368 -3.976 -11.822 4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 368 -4.840 -13.733 6.122 1.00 0.00 H new ATOM 0 HB3 PRO A 368 -5.922 -12.565 5.390 1.00 0.00 H new ATOM 0 HG2 PRO A 368 -5.434 -15.458 4.576 1.00 0.00 H new ATOM 0 HG3 PRO A 368 -6.953 -14.587 4.635 1.00 0.00 H new ATOM 0 HD2 PRO A 368 -5.647 -14.932 2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 368 -6.553 -13.465 2.579 1.00 0.00 H new ATOM 560 N GLU A 369 -2.287 -14.574 4.121 1.00 0.00 N ATOM 561 CA GLU A 369 -0.964 -15.133 4.365 1.00 0.00 C ATOM 562 C GLU A 369 0.133 -14.145 3.942 1.00 0.00 C ATOM 563 O GLU A 369 1.141 -14.009 4.632 1.00 0.00 O ATOM 564 CB GLU A 369 -0.808 -16.468 3.613 1.00 0.00 C ATOM 565 CG GLU A 369 -1.822 -17.556 4.026 1.00 0.00 C ATOM 566 CD GLU A 369 -3.062 -17.637 3.118 1.00 0.00 C ATOM 567 OE1 GLU A 369 -3.674 -16.584 2.817 1.00 0.00 O ATOM 568 OE2 GLU A 369 -3.420 -18.758 2.703 1.00 0.00 O ATOM 0 H GLU A 369 -2.853 -15.138 3.487 1.00 0.00 H new ATOM 0 HA GLU A 369 -0.858 -15.317 5.434 1.00 0.00 H new ATOM 0 HB2 GLU A 369 -0.909 -16.282 2.544 1.00 0.00 H new ATOM 0 HB3 GLU A 369 0.200 -16.848 3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 369 -1.321 -18.524 4.025 1.00 0.00 H new ATOM 0 HG3 GLU A 369 -2.146 -17.366 5.049 1.00 0.00 H new ATOM 575 N HIS A 370 -0.084 -13.400 2.852 1.00 0.00 N ATOM 576 CA HIS A 370 0.840 -12.362 2.409 1.00 0.00 C ATOM 577 C HIS A 370 0.813 -11.210 3.407 1.00 0.00 C ATOM 578 O HIS A 370 1.864 -10.683 3.753 1.00 0.00 O ATOM 579 CB HIS A 370 0.443 -11.792 1.041 1.00 0.00 C ATOM 580 CG HIS A 370 0.421 -12.756 -0.115 1.00 0.00 C ATOM 581 ND1 HIS A 370 1.252 -12.707 -1.211 1.00 0.00 N ATOM 582 CD2 HIS A 370 -0.506 -13.737 -0.340 1.00 0.00 C ATOM 583 CE1 HIS A 370 0.829 -13.640 -2.081 1.00 0.00 C ATOM 584 NE2 HIS A 370 -0.244 -14.285 -1.597 1.00 0.00 N ATOM 0 H HIS A 370 -0.905 -13.503 2.256 1.00 0.00 H new ATOM 0 HA HIS A 370 1.829 -12.814 2.336 1.00 0.00 H new ATOM 0 HB2 HIS A 370 -0.548 -11.348 1.132 1.00 0.00 H new ATOM 0 HB3 HIS A 370 1.132 -10.984 0.797 1.00 0.00 H new ATOM 0 HD2 HIS A 370 -1.297 -14.034 0.333 1.00 0.00 H new ATOM 0 HE1 HIS A 370 1.289 -13.843 -3.037 1.00 0.00 H new ATOM 0 HE2 HIS A 370 -0.766 -15.030 -2.058 1.00 0.00 H new ATOM 592 N ILE A 371 -0.379 -10.793 3.846 1.00 0.00 N ATOM 593 CA ILE A 371 -0.552 -9.662 4.754 1.00 0.00 C ATOM 594 C ILE A 371 0.197 -9.970 6.055 1.00 0.00 C ATOM 595 O ILE A 371 0.848 -9.090 6.622 1.00 0.00 O ATOM 596 CB ILE A 371 -2.052 -9.374 5.023 1.00 0.00 C ATOM 597 CG1 ILE A 371 -2.892 -9.306 3.727 1.00 0.00 C ATOM 598 CG2 ILE A 371 -2.178 -8.046 5.796 1.00 0.00 C ATOM 599 CD1 ILE A 371 -4.393 -9.105 3.972 1.00 0.00 C ATOM 0 H ILE A 371 -1.257 -11.237 3.577 1.00 0.00 H new ATOM 0 HA ILE A 371 -0.141 -8.762 4.297 1.00 0.00 H new ATOM 0 HB ILE A 371 -2.446 -10.203 5.611 1.00 0.00 H new ATOM 0 HG12 ILE A 371 -2.522 -8.489 3.108 1.00 0.00 H new ATOM 0 HG13 ILE A 371 -2.746 -10.226 3.162 1.00 0.00 H new ATOM 0 HG21 ILE A 371 -3.230 -7.836 5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 371 -1.644 -8.124 6.743 1.00 0.00 H new ATOM 0 HG23 ILE A 371 -1.750 -7.238 5.203 1.00 0.00 H new ATOM 0 HD11 ILE A 371 -4.916 -9.067 3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 371 -4.779 -9.934 4.564 1.00 0.00 H new ATOM 0 HD13 ILE A 371 -4.552 -8.170 4.510 1.00 0.00 H new ATOM 611 N ASP A 372 0.113 -11.209 6.535 1.00 0.00 N ATOM 612 CA ASP A 372 0.765 -11.606 7.770 1.00 0.00 C ATOM 613 C ASP A 372 2.278 -11.637 7.552 1.00 0.00 C ATOM 614 O ASP A 372 3.003 -11.033 8.343 1.00 0.00 O ATOM 615 CB ASP A 372 0.174 -12.917 8.310 1.00 0.00 C ATOM 616 CG ASP A 372 -0.842 -12.556 9.395 1.00 0.00 C ATOM 617 OD1 ASP A 372 -0.439 -12.251 10.537 1.00 0.00 O ATOM 618 OD2 ASP A 372 -2.026 -12.328 9.057 1.00 0.00 O ATOM 0 H ASP A 372 -0.407 -11.958 6.078 1.00 0.00 H new ATOM 0 HA ASP A 372 0.575 -10.873 8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -0.306 -13.479 7.509 1.00 0.00 H new ATOM 0 HB3 ASP A 372 0.960 -13.552 8.718 1.00 0.00 H new ATOM 623 N SER A 373 2.769 -12.198 6.436 1.00 0.00 N ATOM 624 CA SER A 373 4.206 -12.168 6.148 1.00 0.00 C ATOM 625 C SER A 373 4.716 -10.758 5.821 1.00 0.00 C ATOM 626 O SER A 373 5.900 -10.473 5.959 1.00 0.00 O ATOM 627 CB SER A 373 4.561 -13.156 5.025 1.00 0.00 C ATOM 628 OG SER A 373 5.685 -13.948 5.362 1.00 0.00 O ATOM 0 H SER A 373 2.202 -12.669 5.731 1.00 0.00 H new ATOM 0 HA SER A 373 4.715 -12.480 7.060 1.00 0.00 H new ATOM 0 HB2 SER A 373 3.707 -13.803 4.825 1.00 0.00 H new ATOM 0 HB3 SER A 373 4.766 -12.605 4.107 1.00 0.00 H new ATOM 0 HG SER A 373 6.506 -13.441 5.191 1.00 0.00 H new ATOM 634 N PHE A 374 3.833 -9.790 5.600 1.00 0.00 N ATOM 635 CA PHE A 374 4.255 -8.426 5.297 1.00 0.00 C ATOM 636 C PHE A 374 4.433 -7.685 6.613 1.00 0.00 C ATOM 637 O PHE A 374 5.282 -6.803 6.675 1.00 0.00 O ATOM 638 CB PHE A 374 3.206 -7.681 4.450 1.00 0.00 C ATOM 639 CG PHE A 374 3.398 -7.678 2.950 1.00 0.00 C ATOM 640 CD1 PHE A 374 4.610 -7.236 2.380 1.00 0.00 C ATOM 641 CD2 PHE A 374 2.350 -8.078 2.097 1.00 0.00 C ATOM 642 CE1 PHE A 374 4.774 -7.215 0.981 1.00 0.00 C ATOM 643 CE2 PHE A 374 2.511 -8.051 0.700 1.00 0.00 C ATOM 644 CZ PHE A 374 3.719 -7.609 0.134 1.00 0.00 C ATOM 0 H PHE A 374 2.822 -9.924 5.625 1.00 0.00 H new ATOM 0 HA PHE A 374 5.184 -8.466 4.728 1.00 0.00 H new ATOM 0 HB2 PHE A 374 2.230 -8.116 4.664 1.00 0.00 H new ATOM 0 HB3 PHE A 374 3.174 -6.645 4.788 1.00 0.00 H new ATOM 0 HD1 PHE A 374 5.417 -6.912 3.020 1.00 0.00 H new ATOM 0 HD2 PHE A 374 1.413 -8.409 2.521 1.00 0.00 H new ATOM 0 HE1 PHE A 374 5.714 -6.895 0.555 1.00 0.00 H new ATOM 0 HE2 PHE A 374 1.703 -8.371 0.059 1.00 0.00 H new ATOM 0 HZ PHE A 374 3.838 -7.572 -0.939 1.00 0.00 H new ATOM 654 N THR A 375 3.691 -8.037 7.669 1.00 0.00 N ATOM 655 CA THR A 375 3.969 -7.492 8.989 1.00 0.00 C ATOM 656 C THR A 375 5.046 -8.306 9.733 1.00 0.00 C ATOM 657 O THR A 375 5.470 -7.862 10.801 1.00 0.00 O ATOM 658 CB THR A 375 2.674 -7.301 9.793 1.00 0.00 C ATOM 659 OG1 THR A 375 2.913 -6.564 10.973 1.00 0.00 O ATOM 660 CG2 THR A 375 1.927 -8.581 10.151 1.00 0.00 C ATOM 0 H THR A 375 2.906 -8.687 7.631 1.00 0.00 H new ATOM 0 HA THR A 375 4.397 -6.498 8.863 1.00 0.00 H new ATOM 0 HB THR A 375 2.024 -6.751 9.112 1.00 0.00 H new ATOM 0 HG1 THR A 375 3.801 -6.786 11.323 1.00 0.00 H new ATOM 0 HG21 THR A 375 1.029 -8.332 10.717 1.00 0.00 H new ATOM 0 HG22 THR A 375 1.646 -9.106 9.238 1.00 0.00 H new ATOM 0 HG23 THR A 375 2.571 -9.221 10.754 1.00 0.00 H new ATOM 668 N HIS A 376 5.446 -9.479 9.224 1.00 0.00 N ATOM 669 CA HIS A 376 6.562 -10.268 9.737 1.00 0.00 C ATOM 670 C HIS A 376 7.876 -9.745 9.156 1.00 0.00 C ATOM 671 O HIS A 376 8.846 -9.558 9.893 1.00 0.00 O ATOM 672 CB HIS A 376 6.360 -11.741 9.355 1.00 0.00 C ATOM 673 CG HIS A 376 7.459 -12.657 9.831 1.00 0.00 C ATOM 674 ND1 HIS A 376 8.582 -13.003 9.114 1.00 0.00 N ATOM 675 CD2 HIS A 376 7.519 -13.308 11.034 1.00 0.00 C ATOM 676 CE1 HIS A 376 9.302 -13.841 9.873 1.00 0.00 C ATOM 677 NE2 HIS A 376 8.697 -14.064 11.056 1.00 0.00 N ATOM 0 H HIS A 376 4.987 -9.912 8.423 1.00 0.00 H new ATOM 0 HA HIS A 376 6.603 -10.183 10.823 1.00 0.00 H new ATOM 0 HB2 HIS A 376 5.411 -12.085 9.767 1.00 0.00 H new ATOM 0 HB3 HIS A 376 6.283 -11.817 8.270 1.00 0.00 H new ATOM 0 HD1 HIS A 376 8.822 -12.681 8.177 1.00 0.00 H new ATOM 0 HD2 HIS A 376 6.787 -13.249 11.826 1.00 0.00 H new ATOM 0 HE1 HIS A 376 10.243 -14.280 9.575 1.00 0.00 H new ATOM 685 N GLU A 377 7.911 -9.530 7.837 1.00 0.00 N ATOM 686 CA GLU A 377 9.091 -9.036 7.150 1.00 0.00 C ATOM 687 C GLU A 377 9.454 -7.620 7.623 1.00 0.00 C ATOM 688 O GLU A 377 8.666 -6.922 8.264 1.00 0.00 O ATOM 689 CB GLU A 377 8.861 -9.113 5.625 1.00 0.00 C ATOM 690 CG GLU A 377 9.092 -10.487 4.948 1.00 0.00 C ATOM 691 CD GLU A 377 8.797 -11.755 5.772 1.00 0.00 C ATOM 692 OE1 GLU A 377 9.578 -12.027 6.714 1.00 0.00 O ATOM 693 OE2 GLU A 377 7.863 -12.512 5.419 1.00 0.00 O ATOM 0 H GLU A 377 7.115 -9.697 7.221 1.00 0.00 H new ATOM 0 HA GLU A 377 9.948 -9.664 7.394 1.00 0.00 H new ATOM 0 HB2 GLU A 377 7.836 -8.803 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 377 9.516 -8.385 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 377 8.479 -10.523 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 377 10.133 -10.531 4.627 1.00 0.00 H new ATOM 700 N ALA A 378 10.656 -7.178 7.230 1.00 0.00 N ATOM 701 CA ALA A 378 11.417 -6.100 7.861 1.00 0.00 C ATOM 702 C ALA A 378 10.587 -4.865 8.218 1.00 0.00 C ATOM 703 O ALA A 378 10.703 -4.354 9.332 1.00 0.00 O ATOM 704 CB ALA A 378 12.603 -5.723 6.964 1.00 0.00 C ATOM 0 H ALA A 378 11.142 -7.581 6.429 1.00 0.00 H new ATOM 0 HA ALA A 378 11.771 -6.486 8.817 1.00 0.00 H new ATOM 0 HB1 ALA A 378 13.172 -4.920 7.432 1.00 0.00 H new ATOM 0 HB2 ALA A 378 13.247 -6.592 6.828 1.00 0.00 H new ATOM 0 HB3 ALA A 378 12.234 -5.389 5.994 1.00 0.00 H new ATOM 710 N CYS A 379 9.794 -4.361 7.272 1.00 0.00 N ATOM 711 CA CYS A 379 8.687 -3.457 7.540 1.00 0.00 C ATOM 712 C CYS A 379 7.597 -3.798 6.519 1.00 0.00 C ATOM 713 O CYS A 379 7.964 -4.011 5.359 1.00 0.00 O ATOM 714 CB CYS A 379 9.090 -1.985 7.328 1.00 0.00 C ATOM 715 SG CYS A 379 10.641 -1.529 8.160 1.00 0.00 S ATOM 0 H CYS A 379 9.909 -4.577 6.282 1.00 0.00 H new ATOM 0 HA CYS A 379 8.361 -3.573 8.574 1.00 0.00 H new ATOM 0 HB2 CYS A 379 9.191 -1.795 6.259 1.00 0.00 H new ATOM 0 HB3 CYS A 379 8.289 -1.341 7.692 1.00 0.00 H new ATOM 0 HG CYS A 379 11.054 -2.526 8.885 1.00 0.00 H new ATOM 721 N PRO A 380 6.300 -3.735 6.877 1.00 0.00 N ATOM 722 CA PRO A 380 5.203 -3.830 5.924 1.00 0.00 C ATOM 723 C PRO A 380 5.292 -2.679 4.938 1.00 0.00 C ATOM 724 O PRO A 380 5.842 -2.869 3.867 1.00 0.00 O ATOM 725 CB PRO A 380 3.908 -3.876 6.751 1.00 0.00 C ATOM 726 CG PRO A 380 4.299 -3.255 8.091 1.00 0.00 C ATOM 727 CD PRO A 380 5.785 -3.587 8.230 1.00 0.00 C ATOM 0 HA PRO A 380 5.238 -4.729 5.309 1.00 0.00 H new ATOM 0 HB2 PRO A 380 3.108 -3.314 6.270 1.00 0.00 H new ATOM 0 HB3 PRO A 380 3.550 -4.898 6.875 1.00 0.00 H new ATOM 0 HG2 PRO A 380 4.128 -2.179 8.098 1.00 0.00 H new ATOM 0 HG3 PRO A 380 3.717 -3.675 8.911 1.00 0.00 H new ATOM 0 HD2 PRO A 380 6.312 -2.795 8.762 1.00 0.00 H new ATOM 0 HD3 PRO A 380 5.926 -4.504 8.802 1.00 0.00 H new ATOM 735 N VAL A 381 4.698 -1.528 5.228 1.00 0.00 N ATOM 736 CA VAL A 381 4.486 -0.435 4.288 1.00 0.00 C ATOM 737 C VAL A 381 5.695 -0.149 3.365 1.00 0.00 C ATOM 738 O VAL A 381 5.496 -0.023 2.156 1.00 0.00 O ATOM 739 CB VAL A 381 3.874 0.771 5.027 1.00 0.00 C ATOM 740 CG1 VAL A 381 3.382 1.835 4.032 1.00 0.00 C ATOM 741 CG2 VAL A 381 2.715 0.371 5.956 1.00 0.00 C ATOM 0 H VAL A 381 4.337 -1.323 6.160 1.00 0.00 H new ATOM 0 HA VAL A 381 3.745 -0.739 3.549 1.00 0.00 H new ATOM 0 HB VAL A 381 4.672 1.185 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 381 2.955 2.675 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 381 4.220 2.184 3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 381 2.622 1.401 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 381 2.322 1.259 6.451 1.00 0.00 H new ATOM 0 HG22 VAL A 381 1.924 -0.098 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 381 3.076 -0.332 6.706 1.00 0.00 H new ATOM 751 N ARG A 382 6.952 -0.166 3.839 1.00 0.00 N ATOM 752 CA ARG A 382 8.100 -0.098 2.918 1.00 0.00 C ATOM 753 C ARG A 382 8.140 -1.282 1.947 1.00 0.00 C ATOM 754 O ARG A 382 8.108 -1.052 0.735 1.00 0.00 O ATOM 755 CB ARG A 382 9.444 0.005 3.656 1.00 0.00 C ATOM 756 CG ARG A 382 9.679 1.384 4.278 1.00 0.00 C ATOM 757 CD ARG A 382 11.004 1.435 5.057 1.00 0.00 C ATOM 758 NE ARG A 382 11.003 2.570 5.988 1.00 0.00 N ATOM 759 CZ ARG A 382 10.269 2.616 7.105 1.00 0.00 C ATOM 760 NH1 ARG A 382 9.844 1.508 7.695 1.00 0.00 N ATOM 761 NH2 ARG A 382 9.915 3.781 7.616 1.00 0.00 N ATOM 0 H ARG A 382 7.196 -0.225 4.828 1.00 0.00 H new ATOM 0 HA ARG A 382 7.952 0.817 2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 382 9.481 -0.752 4.439 1.00 0.00 H new ATOM 0 HB3 ARG A 382 10.253 -0.216 2.960 1.00 0.00 H new ATOM 0 HG2 ARG A 382 9.688 2.141 3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 382 8.853 1.628 4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 382 11.147 0.505 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 382 11.839 1.526 4.362 1.00 0.00 H new ATOM 0 HE ARG A 382 11.597 3.370 5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 382 10.076 0.598 7.298 1.00 0.00 H new ATOM 0 HH12 ARG A 382 9.285 1.566 8.546 1.00 0.00 H new ATOM 0 HH21 ARG A 382 10.201 4.647 7.159 1.00 0.00 H new ATOM 0 HH22 ARG A 382 9.355 3.815 8.468 1.00 0.00 H new ATOM 775 N ALA A 383 8.256 -2.529 2.427 1.00 0.00 N ATOM 776 CA ALA A 383 8.452 -3.653 1.511 1.00 0.00 C ATOM 777 C ALA A 383 7.153 -4.042 0.798 1.00 0.00 C ATOM 778 O ALA A 383 7.196 -4.678 -0.250 1.00 0.00 O ATOM 779 CB ALA A 383 8.965 -4.865 2.300 1.00 0.00 C ATOM 0 H ALA A 383 8.219 -2.777 3.416 1.00 0.00 H new ATOM 0 HA ALA A 383 9.176 -3.345 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 383 9.112 -5.705 1.621 1.00 0.00 H new ATOM 0 HB2 ALA A 383 9.912 -4.614 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 383 8.235 -5.138 3.062 1.00 0.00 H new ATOM 785 N LEU A 384 6.015 -3.525 1.248 1.00 0.00 N ATOM 786 CA LEU A 384 4.701 -3.665 0.660 1.00 0.00 C ATOM 787 C LEU A 384 4.666 -2.856 -0.615 1.00 0.00 C ATOM 788 O LEU A 384 4.258 -3.352 -1.655 1.00 0.00 O ATOM 789 CB LEU A 384 3.685 -3.124 1.668 1.00 0.00 C ATOM 790 CG LEU A 384 2.224 -3.129 1.206 1.00 0.00 C ATOM 791 CD1 LEU A 384 1.693 -4.563 1.157 1.00 0.00 C ATOM 792 CD2 LEU A 384 1.437 -2.305 2.222 1.00 0.00 C ATOM 0 H LEU A 384 5.992 -2.957 2.095 1.00 0.00 H new ATOM 0 HA LEU A 384 4.468 -4.704 0.427 1.00 0.00 H new ATOM 0 HB2 LEU A 384 3.760 -3.712 2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 384 3.963 -2.101 1.923 1.00 0.00 H new ATOM 0 HG LEU A 384 2.127 -2.707 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 384 0.654 -4.555 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 384 2.291 -5.149 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 384 1.755 -5.008 2.150 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.386 -2.280 1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.532 -2.757 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 384 1.830 -1.289 2.249 1.00 0.00 H new ATOM 804 N LEU A 385 5.107 -1.604 -0.544 1.00 0.00 N ATOM 805 CA LEU A 385 5.030 -0.693 -1.671 1.00 0.00 C ATOM 806 C LEU A 385 6.152 -0.965 -2.670 1.00 0.00 C ATOM 807 O LEU A 385 6.022 -0.575 -3.831 1.00 0.00 O ATOM 808 CB LEU A 385 5.015 0.752 -1.142 1.00 0.00 C ATOM 809 CG LEU A 385 3.770 1.011 -0.257 1.00 0.00 C ATOM 810 CD1 LEU A 385 3.821 2.428 0.310 1.00 0.00 C ATOM 811 CD2 LEU A 385 2.440 0.757 -0.976 1.00 0.00 C ATOM 0 H LEU A 385 5.525 -1.198 0.293 1.00 0.00 H new ATOM 0 HA LEU A 385 4.105 -0.851 -2.225 1.00 0.00 H new ATOM 0 HB2 LEU A 385 5.920 0.940 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 385 5.020 1.449 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 385 3.807 0.287 0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 385 2.943 2.603 0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 385 4.721 2.546 0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 385 3.836 3.147 -0.509 1.00 0.00 H new ATOM 0 HD21 LEU A 385 1.614 0.959 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 385 2.364 1.413 -1.843 1.00 0.00 H new ATOM 0 HD23 LEU A 385 2.395 -0.282 -1.302 1.00 0.00 H new ATOM 823 N ALA A 386 7.219 -1.655 -2.252 1.00 0.00 N ATOM 824 CA ALA A 386 8.193 -2.233 -3.167 1.00 0.00 C ATOM 825 C ALA A 386 7.643 -3.490 -3.858 1.00 0.00 C ATOM 826 O ALA A 386 7.844 -3.645 -5.058 1.00 0.00 O ATOM 827 CB ALA A 386 9.472 -2.571 -2.393 1.00 0.00 C ATOM 0 H ALA A 386 7.426 -1.825 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 386 8.412 -1.502 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 386 10.205 -3.004 -3.073 1.00 0.00 H new ATOM 0 HB2 ALA A 386 9.880 -1.662 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 386 9.241 -3.287 -1.604 1.00 0.00 H new ATOM 833 N SER A 387 6.931 -4.362 -3.133 1.00 0.00 N ATOM 834 CA SER A 387 6.593 -5.704 -3.602 1.00 0.00 C ATOM 835 C SER A 387 5.278 -5.669 -4.379 1.00 0.00 C ATOM 836 O SER A 387 5.239 -6.141 -5.513 1.00 0.00 O ATOM 837 CB SER A 387 6.539 -6.665 -2.407 1.00 0.00 C ATOM 838 OG SER A 387 6.455 -8.014 -2.812 1.00 0.00 O ATOM 0 H SER A 387 6.574 -4.152 -2.201 1.00 0.00 H new ATOM 0 HA SER A 387 7.361 -6.068 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 387 7.428 -6.527 -1.791 1.00 0.00 H new ATOM 0 HB3 SER A 387 5.679 -6.420 -1.784 1.00 0.00 H new ATOM 0 HG SER A 387 6.425 -8.592 -2.021 1.00 0.00 H new ATOM 844 N TRP A 388 4.224 -5.039 -3.840 1.00 0.00 N ATOM 845 CA TRP A 388 3.001 -4.814 -4.602 1.00 0.00 C ATOM 846 C TRP A 388 3.356 -4.046 -5.876 1.00 0.00 C ATOM 847 O TRP A 388 2.912 -4.401 -6.961 1.00 0.00 O ATOM 848 CB TRP A 388 1.962 -4.024 -3.783 1.00 0.00 C ATOM 849 CG TRP A 388 0.627 -3.882 -4.457 1.00 0.00 C ATOM 850 CD1 TRP A 388 -0.271 -4.879 -4.656 1.00 0.00 C ATOM 851 CD2 TRP A 388 0.033 -2.692 -5.066 1.00 0.00 C ATOM 852 NE1 TRP A 388 -1.342 -4.405 -5.385 1.00 0.00 N ATOM 853 CE2 TRP A 388 -1.211 -3.071 -5.652 1.00 0.00 C ATOM 854 CE3 TRP A 388 0.418 -1.337 -5.214 1.00 0.00 C ATOM 855 CZ2 TRP A 388 -2.040 -2.175 -6.327 1.00 0.00 C ATOM 856 CZ3 TRP A 388 -0.402 -0.438 -5.928 1.00 0.00 C ATOM 857 CH2 TRP A 388 -1.630 -0.848 -6.439 1.00 0.00 C ATOM 0 H TRP A 388 4.200 -4.681 -2.885 1.00 0.00 H new ATOM 0 HA TRP A 388 2.557 -5.778 -4.850 1.00 0.00 H new ATOM 0 HB2 TRP A 388 1.821 -4.519 -2.822 1.00 0.00 H new ATOM 0 HB3 TRP A 388 2.359 -3.030 -3.575 1.00 0.00 H new ATOM 0 HD1 TRP A 388 -0.164 -5.892 -4.297 1.00 0.00 H new ATOM 0 HE1 TRP A 388 -2.131 -4.977 -5.686 1.00 0.00 H new ATOM 0 HE3 TRP A 388 1.343 -0.990 -4.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 388 -2.977 -2.502 -6.753 1.00 0.00 H new ATOM 0 HZ3 TRP A 388 -0.073 0.579 -6.080 1.00 0.00 H new ATOM 0 HH2 TRP A 388 -2.272 -0.130 -6.928 1.00 0.00 H new ATOM 868 N GLY A 389 4.249 -3.056 -5.762 1.00 0.00 N ATOM 869 CA GLY A 389 4.717 -2.243 -6.872 1.00 0.00 C ATOM 870 C GLY A 389 5.595 -2.992 -7.880 1.00 0.00 C ATOM 871 O GLY A 389 5.997 -2.375 -8.867 1.00 0.00 O ATOM 0 H GLY A 389 4.672 -2.798 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 389 3.853 -1.833 -7.395 1.00 0.00 H new ATOM 0 HA3 GLY A 389 5.280 -1.398 -6.475 1.00 0.00 H new ATOM 875 N ALA A 390 5.916 -4.270 -7.661 1.00 0.00 N ATOM 876 CA ALA A 390 6.551 -5.119 -8.661 1.00 0.00 C ATOM 877 C ALA A 390 5.513 -5.806 -9.559 1.00 0.00 C ATOM 878 O ALA A 390 5.887 -6.358 -10.593 1.00 0.00 O ATOM 879 CB ALA A 390 7.415 -6.175 -7.959 1.00 0.00 C ATOM 0 H ALA A 390 5.739 -4.744 -6.776 1.00 0.00 H new ATOM 0 HA ALA A 390 7.175 -4.490 -9.296 1.00 0.00 H new ATOM 0 HB1 ALA A 390 7.891 -6.811 -8.706 1.00 0.00 H new ATOM 0 HB2 ALA A 390 8.181 -5.680 -7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 390 6.788 -6.785 -7.309 1.00 0.00 H new ATOM 885 N GLN A 391 4.232 -5.817 -9.175 1.00 0.00 N ATOM 886 CA GLN A 391 3.188 -6.516 -9.909 1.00 0.00 C ATOM 887 C GLN A 391 2.653 -5.544 -10.962 1.00 0.00 C ATOM 888 O GLN A 391 2.128 -4.486 -10.618 1.00 0.00 O ATOM 889 CB GLN A 391 2.115 -7.017 -8.910 1.00 0.00 C ATOM 890 CG GLN A 391 2.756 -7.928 -7.851 1.00 0.00 C ATOM 891 CD GLN A 391 1.753 -8.719 -7.021 1.00 0.00 C ATOM 892 OE1 GLN A 391 2.058 -9.828 -6.598 1.00 0.00 O ATOM 893 NE2 GLN A 391 0.585 -8.175 -6.708 1.00 0.00 N ATOM 0 H GLN A 391 3.895 -5.337 -8.341 1.00 0.00 H new ATOM 0 HA GLN A 391 3.552 -7.404 -10.425 1.00 0.00 H new ATOM 0 HB2 GLN A 391 1.634 -6.167 -8.426 1.00 0.00 H new ATOM 0 HB3 GLN A 391 1.337 -7.561 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 391 3.431 -8.625 -8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 391 3.364 -7.318 -7.183 1.00 0.00 H new ATOM 0 HE21 GLN A 391 0.341 -7.251 -7.065 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -0.069 -8.680 -6.110 1.00 0.00 H new ATOM 902 N ASP A 392 2.780 -5.881 -12.248 1.00 0.00 N ATOM 903 CA ASP A 392 2.318 -5.018 -13.336 1.00 0.00 C ATOM 904 C ASP A 392 0.794 -5.036 -13.381 1.00 0.00 C ATOM 905 O ASP A 392 0.195 -6.049 -13.745 1.00 0.00 O ATOM 906 CB ASP A 392 2.919 -5.354 -14.704 1.00 0.00 C ATOM 907 CG ASP A 392 2.476 -4.314 -15.749 1.00 0.00 C ATOM 908 OD1 ASP A 392 2.161 -3.168 -15.342 1.00 0.00 O ATOM 909 OD2 ASP A 392 2.493 -4.659 -16.950 1.00 0.00 O ATOM 0 H ASP A 392 3.203 -6.754 -12.562 1.00 0.00 H new ATOM 0 HA ASP A 392 2.675 -4.012 -13.116 1.00 0.00 H new ATOM 0 HB2 ASP A 392 4.007 -5.372 -14.637 1.00 0.00 H new ATOM 0 HB3 ASP A 392 2.602 -6.350 -15.014 1.00 0.00 H new ATOM 914 N SER A 393 0.197 -3.971 -12.842 1.00 0.00 N ATOM 915 CA SER A 393 -1.206 -3.693 -12.508 1.00 0.00 C ATOM 916 C SER A 393 -1.292 -2.829 -11.245 1.00 0.00 C ATOM 917 O SER A 393 -2.319 -2.191 -11.018 1.00 0.00 O ATOM 918 CB SER A 393 -2.098 -4.943 -12.384 1.00 0.00 C ATOM 919 OG SER A 393 -1.479 -5.984 -11.655 1.00 0.00 O ATOM 0 H SER A 393 0.771 -3.165 -12.593 1.00 0.00 H new ATOM 0 HA SER A 393 -1.608 -3.144 -13.359 1.00 0.00 H new ATOM 0 HB2 SER A 393 -3.034 -4.670 -11.896 1.00 0.00 H new ATOM 0 HB3 SER A 393 -2.352 -5.304 -13.381 1.00 0.00 H new ATOM 0 HG SER A 393 -0.910 -6.510 -12.255 1.00 0.00 H new ATOM 925 N ALA A 394 -0.213 -2.746 -10.455 1.00 0.00 N ATOM 926 CA ALA A 394 -0.105 -1.951 -9.240 1.00 0.00 C ATOM 927 C ALA A 394 0.034 -0.448 -9.534 1.00 0.00 C ATOM 928 O ALA A 394 1.010 0.211 -9.149 1.00 0.00 O ATOM 929 CB ALA A 394 1.054 -2.505 -8.411 1.00 0.00 C ATOM 0 H ALA A 394 0.645 -3.258 -10.662 1.00 0.00 H new ATOM 0 HA ALA A 394 -1.027 -2.033 -8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 394 1.155 -1.925 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 394 0.857 -3.547 -8.161 1.00 0.00 H new ATOM 0 HB3 ALA A 394 1.977 -2.438 -8.986 1.00 0.00 H new ATOM 935 N THR A 395 -0.932 0.108 -10.260 1.00 0.00 N ATOM 936 CA THR A 395 -0.959 1.512 -10.606 1.00 0.00 C ATOM 937 C THR A 395 -1.221 2.357 -9.357 1.00 0.00 C ATOM 938 O THR A 395 -1.754 1.876 -8.352 1.00 0.00 O ATOM 939 CB THR A 395 -1.940 1.758 -11.760 1.00 0.00 C ATOM 940 OG1 THR A 395 -3.240 1.318 -11.451 1.00 0.00 O ATOM 941 CG2 THR A 395 -1.491 1.046 -13.043 1.00 0.00 C ATOM 0 H THR A 395 -1.726 -0.418 -10.626 1.00 0.00 H new ATOM 0 HA THR A 395 0.015 1.830 -10.979 1.00 0.00 H new ATOM 0 HB THR A 395 -1.949 2.837 -11.916 1.00 0.00 H new ATOM 0 HG1 THR A 395 -3.890 1.808 -11.997 1.00 0.00 H new ATOM 0 HG21 THR A 395 -2.210 1.243 -13.839 1.00 0.00 H new ATOM 0 HG22 THR A 395 -0.510 1.416 -13.340 1.00 0.00 H new ATOM 0 HG23 THR A 395 -1.434 -0.027 -12.863 1.00 0.00 H new ATOM 949 N LEU A 396 -0.895 3.650 -9.413 1.00 0.00 N ATOM 950 CA LEU A 396 -1.333 4.567 -8.365 1.00 0.00 C ATOM 951 C LEU A 396 -2.860 4.531 -8.300 1.00 0.00 C ATOM 952 O LEU A 396 -3.440 4.433 -7.227 1.00 0.00 O ATOM 953 CB LEU A 396 -0.821 5.989 -8.650 1.00 0.00 C ATOM 954 CG LEU A 396 -0.589 6.839 -7.387 1.00 0.00 C ATOM 955 CD1 LEU A 396 -1.789 6.929 -6.441 1.00 0.00 C ATOM 956 CD2 LEU A 396 0.624 6.323 -6.611 1.00 0.00 C ATOM 0 H LEU A 396 -0.342 4.077 -10.156 1.00 0.00 H new ATOM 0 HA LEU A 396 -0.924 4.262 -7.402 1.00 0.00 H new ATOM 0 HB2 LEU A 396 0.114 5.922 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 396 -1.538 6.500 -9.292 1.00 0.00 H new ATOM 0 HG LEU A 396 -0.417 7.849 -7.758 1.00 0.00 H new ATOM 0 HD11 LEU A 396 -1.529 7.548 -5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 396 -2.634 7.374 -6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 396 -2.059 5.930 -6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 396 0.774 6.935 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 396 0.453 5.288 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 396 1.510 6.378 -7.243 1.00 0.00 H new ATOM 968 N ASP A 397 -3.501 4.493 -9.466 1.00 0.00 N ATOM 969 CA ASP A 397 -4.946 4.428 -9.641 1.00 0.00 C ATOM 970 C ASP A 397 -5.550 3.092 -9.192 1.00 0.00 C ATOM 971 O ASP A 397 -6.741 3.066 -8.894 1.00 0.00 O ATOM 972 CB ASP A 397 -5.332 4.775 -11.096 1.00 0.00 C ATOM 973 CG ASP A 397 -4.347 4.258 -12.147 1.00 0.00 C ATOM 974 OD1 ASP A 397 -3.273 4.881 -12.317 1.00 0.00 O ATOM 975 OD2 ASP A 397 -4.578 3.229 -12.817 1.00 0.00 O ATOM 0 H ASP A 397 -3.001 4.507 -10.355 1.00 0.00 H new ATOM 0 HA ASP A 397 -5.380 5.179 -8.981 1.00 0.00 H new ATOM 0 HB2 ASP A 397 -6.319 4.363 -11.306 1.00 0.00 H new ATOM 0 HB3 ASP A 397 -5.411 5.858 -11.190 1.00 0.00 H new ATOM 980 N ALA A 398 -4.754 2.037 -8.995 1.00 0.00 N ATOM 981 CA ALA A 398 -5.205 0.800 -8.358 1.00 0.00 C ATOM 982 C ALA A 398 -5.245 1.034 -6.852 1.00 0.00 C ATOM 983 O ALA A 398 -6.266 0.798 -6.208 1.00 0.00 O ATOM 984 CB ALA A 398 -4.246 -0.371 -8.661 1.00 0.00 C ATOM 0 H ALA A 398 -3.773 2.019 -9.275 1.00 0.00 H new ATOM 0 HA ALA A 398 -6.189 0.538 -8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 398 -4.610 -1.275 -8.173 1.00 0.00 H new ATOM 0 HB2 ALA A 398 -4.199 -0.534 -9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 398 -3.251 -0.132 -8.287 1.00 0.00 H new ATOM 990 N LEU A 399 -4.140 1.525 -6.289 1.00 0.00 N ATOM 991 CA LEU A 399 -3.984 1.713 -4.852 1.00 0.00 C ATOM 992 C LEU A 399 -5.008 2.700 -4.315 1.00 0.00 C ATOM 993 O LEU A 399 -5.616 2.484 -3.268 1.00 0.00 O ATOM 994 CB LEU A 399 -2.572 2.271 -4.624 1.00 0.00 C ATOM 995 CG LEU A 399 -2.187 2.511 -3.159 1.00 0.00 C ATOM 996 CD1 LEU A 399 -2.066 1.189 -2.408 1.00 0.00 C ATOM 997 CD2 LEU A 399 -0.825 3.194 -3.151 1.00 0.00 C ATOM 0 H LEU A 399 -3.320 1.806 -6.827 1.00 0.00 H new ATOM 0 HA LEU A 399 -4.133 0.766 -4.333 1.00 0.00 H new ATOM 0 HB2 LEU A 399 -1.852 1.580 -5.063 1.00 0.00 H new ATOM 0 HB3 LEU A 399 -2.480 3.213 -5.165 1.00 0.00 H new ATOM 0 HG LEU A 399 -2.951 3.119 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 399 -1.792 1.383 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 399 -3.021 0.664 -2.439 1.00 0.00 H new ATOM 0 HD13 LEU A 399 -1.298 0.573 -2.877 1.00 0.00 H new ATOM 0 HD21 LEU A 399 -0.518 3.381 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 399 -0.092 2.550 -3.637 1.00 0.00 H new ATOM 0 HD23 LEU A 399 -0.889 4.140 -3.688 1.00 0.00 H new ATOM 1009 N LEU A 400 -5.223 3.767 -5.074 1.00 0.00 N ATOM 1010 CA LEU A 400 -6.144 4.831 -4.774 1.00 0.00 C ATOM 1011 C LEU A 400 -7.579 4.298 -4.819 1.00 0.00 C ATOM 1012 O LEU A 400 -8.404 4.687 -3.992 1.00 0.00 O ATOM 1013 CB LEU A 400 -5.898 5.907 -5.861 1.00 0.00 C ATOM 1014 CG LEU A 400 -7.036 6.876 -6.238 1.00 0.00 C ATOM 1015 CD1 LEU A 400 -6.428 8.175 -6.792 1.00 0.00 C ATOM 1016 CD2 LEU A 400 -8.009 6.363 -7.315 1.00 0.00 C ATOM 0 H LEU A 400 -4.731 3.911 -5.956 1.00 0.00 H new ATOM 0 HA LEU A 400 -5.997 5.248 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 400 -5.049 6.509 -5.539 1.00 0.00 H new ATOM 0 HB3 LEU A 400 -5.594 5.389 -6.771 1.00 0.00 H new ATOM 0 HG LEU A 400 -7.603 7.008 -5.316 1.00 0.00 H new ATOM 0 HD11 LEU A 400 -7.228 8.865 -7.061 1.00 0.00 H new ATOM 0 HD12 LEU A 400 -5.794 8.633 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 400 -5.831 7.949 -7.676 1.00 0.00 H new ATOM 0 HD21 LEU A 400 -8.771 7.119 -7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 400 -7.460 6.160 -8.234 1.00 0.00 H new ATOM 0 HD23 LEU A 400 -8.486 5.447 -6.967 1.00 0.00 H new ATOM 1028 N ALA A 401 -7.899 3.434 -5.792 1.00 0.00 N ATOM 1029 CA ALA A 401 -9.241 2.890 -5.946 1.00 0.00 C ATOM 1030 C ALA A 401 -9.543 1.940 -4.796 1.00 0.00 C ATOM 1031 O ALA A 401 -10.608 2.041 -4.183 1.00 0.00 O ATOM 1032 CB ALA A 401 -9.376 2.170 -7.289 1.00 0.00 C ATOM 0 H ALA A 401 -7.233 3.098 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 401 -9.961 3.708 -5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -10.385 1.770 -7.387 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -9.184 2.873 -8.100 1.00 0.00 H new ATOM 0 HB3 ALA A 401 -8.655 1.354 -7.338 1.00 0.00 H new ATOM 1038 N ALA A 402 -8.592 1.051 -4.492 1.00 0.00 N ATOM 1039 CA ALA A 402 -8.677 0.124 -3.382 1.00 0.00 C ATOM 1040 C ALA A 402 -8.938 0.912 -2.095 1.00 0.00 C ATOM 1041 O ALA A 402 -9.913 0.645 -1.395 1.00 0.00 O ATOM 1042 CB ALA A 402 -7.389 -0.707 -3.349 1.00 0.00 C ATOM 0 H ALA A 402 -7.728 0.962 -5.027 1.00 0.00 H new ATOM 0 HA ALA A 402 -9.507 -0.574 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -7.432 -1.412 -2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -7.285 -1.254 -4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 402 -6.533 -0.046 -3.218 1.00 0.00 H new ATOM 1048 N LEU A 403 -8.142 1.952 -1.833 1.00 0.00 N ATOM 1049 CA LEU A 403 -8.329 2.841 -0.690 1.00 0.00 C ATOM 1050 C LEU A 403 -9.707 3.475 -0.640 1.00 0.00 C ATOM 1051 O LEU A 403 -10.369 3.463 0.400 1.00 0.00 O ATOM 1052 CB LEU A 403 -7.305 3.970 -0.733 1.00 0.00 C ATOM 1053 CG LEU A 403 -5.975 3.629 -0.071 1.00 0.00 C ATOM 1054 CD1 LEU A 403 -4.980 4.705 -0.515 1.00 0.00 C ATOM 1055 CD2 LEU A 403 -6.172 3.596 1.451 1.00 0.00 C ATOM 0 H LEU A 403 -7.343 2.200 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 403 -8.206 2.216 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -7.122 4.241 -1.773 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -7.727 4.848 -0.244 1.00 0.00 H new ATOM 0 HG LEU A 403 -5.595 2.649 -0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -4.006 4.507 -0.067 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -4.889 4.691 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -5.335 5.684 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -5.226 3.353 1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -6.515 4.572 1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -6.915 2.840 1.705 1.00 0.00 H new ATOM 1067 N ARG A 404 -10.145 4.076 -1.744 1.00 0.00 N ATOM 1068 CA ARG A 404 -11.416 4.783 -1.748 1.00 0.00 C ATOM 1069 C ARG A 404 -12.555 3.789 -1.487 1.00 0.00 C ATOM 1070 O ARG A 404 -13.541 4.188 -0.879 1.00 0.00 O ATOM 1071 CB ARG A 404 -11.550 5.642 -3.015 1.00 0.00 C ATOM 1072 CG ARG A 404 -12.809 6.526 -2.979 1.00 0.00 C ATOM 1073 CD ARG A 404 -12.703 7.738 -3.922 1.00 0.00 C ATOM 1074 NE ARG A 404 -11.795 8.796 -3.420 1.00 0.00 N ATOM 1075 CZ ARG A 404 -12.119 9.866 -2.675 1.00 0.00 C ATOM 1076 NH1 ARG A 404 -13.345 10.011 -2.176 1.00 0.00 N ATOM 1077 NH2 ARG A 404 -11.221 10.800 -2.426 1.00 0.00 N ATOM 0 H ARG A 404 -9.645 4.086 -2.633 1.00 0.00 H new ATOM 0 HA ARG A 404 -11.471 5.503 -0.932 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -10.667 6.272 -3.121 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -11.586 4.994 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -13.677 5.928 -3.256 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -12.975 6.876 -1.960 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -12.352 7.401 -4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -13.696 8.162 -4.070 1.00 0.00 H new ATOM 0 HE ARG A 404 -10.810 8.701 -3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -14.056 9.303 -2.357 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -13.573 10.830 -1.612 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -10.276 10.712 -2.800 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -11.472 11.611 -1.860 1.00 0.00 H new ATOM 1091 N ARG A 405 -12.421 2.509 -1.856 1.00 0.00 N ATOM 1092 CA ARG A 405 -13.336 1.434 -1.462 1.00 0.00 C ATOM 1093 C ARG A 405 -13.347 1.094 0.039 1.00 0.00 C ATOM 1094 O ARG A 405 -14.384 0.603 0.496 1.00 0.00 O ATOM 1095 CB ARG A 405 -13.090 0.222 -2.389 1.00 0.00 C ATOM 1096 CG ARG A 405 -13.752 -1.103 -1.970 1.00 0.00 C ATOM 1097 CD ARG A 405 -12.775 -1.863 -1.068 1.00 0.00 C ATOM 1098 NE ARG A 405 -13.321 -3.076 -0.442 1.00 0.00 N ATOM 1099 CZ ARG A 405 -13.848 -3.151 0.784 1.00 0.00 C ATOM 1100 NH1 ARG A 405 -14.455 -2.103 1.341 1.00 0.00 N ATOM 1101 NH2 ARG A 405 -13.754 -4.295 1.448 1.00 0.00 N ATOM 0 H ARG A 405 -11.657 2.186 -2.449 1.00 0.00 H new ATOM 0 HA ARG A 405 -14.356 1.791 -1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -13.441 0.479 -3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -12.015 0.059 -2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -14.686 -0.911 -1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -14.000 -1.699 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -11.900 -2.139 -1.657 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -12.431 -1.190 -0.282 1.00 0.00 H new ATOM 0 HE ARG A 405 -13.295 -3.935 -0.991 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -14.524 -1.223 0.830 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -14.851 -2.181 2.278 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -13.287 -5.095 1.022 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -14.149 -4.375 2.385 1.00 0.00 H new ATOM 1115 N ILE A 406 -12.298 1.314 0.847 1.00 0.00 N ATOM 1116 CA ILE A 406 -12.473 1.332 2.310 1.00 0.00 C ATOM 1117 C ILE A 406 -12.808 2.743 2.809 1.00 0.00 C ATOM 1118 O ILE A 406 -12.901 2.956 4.015 1.00 0.00 O ATOM 1119 CB ILE A 406 -11.309 0.664 3.089 1.00 0.00 C ATOM 1120 CG1 ILE A 406 -9.872 1.046 2.676 1.00 0.00 C ATOM 1121 CG2 ILE A 406 -11.522 -0.852 3.111 1.00 0.00 C ATOM 1122 CD1 ILE A 406 -9.159 0.069 1.734 1.00 0.00 C ATOM 0 H ILE A 406 -11.344 1.478 0.525 1.00 0.00 H new ATOM 0 HA ILE A 406 -13.334 0.700 2.529 1.00 0.00 H new ATOM 0 HB ILE A 406 -11.365 1.080 4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -9.901 2.025 2.197 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.272 1.151 3.580 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -10.707 -1.326 3.657 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -12.468 -1.079 3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -11.543 -1.231 2.089 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -8.158 0.441 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -9.086 -0.908 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -9.725 -0.021 0.807 1.00 0.00 H new ATOM 1134 N GLN A 407 -13.074 3.694 1.906 1.00 0.00 N ATOM 1135 CA GLN A 407 -13.370 5.098 2.179 1.00 0.00 C ATOM 1136 C GLN A 407 -12.269 5.780 2.998 1.00 0.00 C ATOM 1137 O GLN A 407 -12.470 6.873 3.523 1.00 0.00 O ATOM 1138 CB GLN A 407 -14.783 5.255 2.773 1.00 0.00 C ATOM 1139 CG GLN A 407 -15.900 4.972 1.753 1.00 0.00 C ATOM 1140 CD GLN A 407 -16.076 3.516 1.309 1.00 0.00 C ATOM 1141 OE1 GLN A 407 -16.383 3.244 0.157 1.00 0.00 O ATOM 1142 NE2 GLN A 407 -15.924 2.542 2.193 1.00 0.00 N ATOM 0 H GLN A 407 -13.088 3.488 0.907 1.00 0.00 H new ATOM 0 HA GLN A 407 -13.375 5.634 1.230 1.00 0.00 H new ATOM 0 HB2 GLN A 407 -14.892 4.578 3.620 1.00 0.00 H new ATOM 0 HB3 GLN A 407 -14.899 6.268 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 407 -16.843 5.314 2.178 1.00 0.00 H new ATOM 0 HG3 GLN A 407 -15.712 5.577 0.866 1.00 0.00 H new ATOM 0 HE21 GLN A 407 -15.668 2.762 3.155 1.00 0.00 H new ATOM 0 HE22 GLN A 407 -16.063 1.572 1.911 1.00 0.00 H new ATOM 1151 N ARG A 408 -11.073 5.189 3.021 1.00 0.00 N ATOM 1152 CA ARG A 408 -9.851 5.793 3.559 1.00 0.00 C ATOM 1153 C ARG A 408 -9.296 6.757 2.502 1.00 0.00 C ATOM 1154 O ARG A 408 -8.238 6.544 1.912 1.00 0.00 O ATOM 1155 CB ARG A 408 -8.871 4.687 3.989 1.00 0.00 C ATOM 1156 CG ARG A 408 -9.452 3.756 5.078 1.00 0.00 C ATOM 1157 CD ARG A 408 -9.532 4.381 6.482 1.00 0.00 C ATOM 1158 NE ARG A 408 -8.627 3.726 7.449 1.00 0.00 N ATOM 1159 CZ ARG A 408 -8.831 2.622 8.186 1.00 0.00 C ATOM 1160 NH1 ARG A 408 -9.950 1.909 8.083 1.00 0.00 N ATOM 1161 NH2 ARG A 408 -7.878 2.240 9.018 1.00 0.00 N ATOM 0 H ARG A 408 -10.923 4.249 2.655 1.00 0.00 H new ATOM 0 HA ARG A 408 -10.042 6.376 4.460 1.00 0.00 H new ATOM 0 HB2 ARG A 408 -8.598 4.092 3.118 1.00 0.00 H new ATOM 0 HB3 ARG A 408 -7.955 5.145 4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 408 -10.452 3.446 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 408 -8.841 2.855 5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 408 -9.284 5.441 6.418 1.00 0.00 H new ATOM 0 HD3 ARG A 408 -10.557 4.315 6.847 1.00 0.00 H new ATOM 0 HE ARG A 408 -7.720 4.175 7.574 1.00 0.00 H new ATOM 0 HH11 ARG A 408 -10.680 2.197 7.431 1.00 0.00 H new ATOM 0 HH12 ARG A 408 -10.078 1.075 8.656 1.00 0.00 H new ATOM 0 HH21 ARG A 408 -7.015 2.780 9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 408 -8.005 1.405 9.590 1.00 0.00 H new ATOM 1175 N ALA A 409 -10.116 7.753 2.162 1.00 0.00 N ATOM 1176 CA ALA A 409 -9.902 8.714 1.092 1.00 0.00 C ATOM 1177 C ALA A 409 -8.870 9.778 1.472 1.00 0.00 C ATOM 1178 O ALA A 409 -8.256 10.383 0.604 1.00 0.00 O ATOM 1179 CB ALA A 409 -11.246 9.381 0.794 1.00 0.00 C ATOM 0 H ALA A 409 -10.994 7.915 2.656 1.00 0.00 H new ATOM 0 HA ALA A 409 -9.513 8.193 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -11.121 10.110 -0.007 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -11.967 8.624 0.486 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -11.609 9.885 1.690 1.00 0.00 H new ATOM 1185 N ASP A 410 -8.642 9.965 2.764 1.00 0.00 N ATOM 1186 CA ASP A 410 -7.582 10.781 3.332 1.00 0.00 C ATOM 1187 C ASP A 410 -6.229 10.390 2.744 1.00 0.00 C ATOM 1188 O ASP A 410 -5.482 11.252 2.276 1.00 0.00 O ATOM 1189 CB ASP A 410 -7.615 10.625 4.867 1.00 0.00 C ATOM 1190 CG ASP A 410 -7.528 9.160 5.336 1.00 0.00 C ATOM 1191 OD1 ASP A 410 -8.447 8.377 4.982 1.00 0.00 O ATOM 1192 OD2 ASP A 410 -6.539 8.812 6.007 1.00 0.00 O ATOM 0 H ASP A 410 -9.222 9.528 3.480 1.00 0.00 H new ATOM 0 HA ASP A 410 -7.737 11.831 3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 410 -6.787 11.187 5.300 1.00 0.00 H new ATOM 0 HB3 ASP A 410 -8.535 11.067 5.250 1.00 0.00 H new ATOM 1197 N ILE A 411 -5.932 9.090 2.683 1.00 0.00 N ATOM 1198 CA ILE A 411 -4.667 8.633 2.133 1.00 0.00 C ATOM 1199 C ILE A 411 -4.619 8.896 0.626 1.00 0.00 C ATOM 1200 O ILE A 411 -3.544 9.159 0.101 1.00 0.00 O ATOM 1201 CB ILE A 411 -4.407 7.141 2.447 1.00 0.00 C ATOM 1202 CG1 ILE A 411 -4.670 6.819 3.943 1.00 0.00 C ATOM 1203 CG2 ILE A 411 -2.976 6.792 1.984 1.00 0.00 C ATOM 1204 CD1 ILE A 411 -4.499 5.354 4.361 1.00 0.00 C ATOM 0 H ILE A 411 -6.549 8.345 3.007 1.00 0.00 H new ATOM 0 HA ILE A 411 -3.870 9.201 2.612 1.00 0.00 H new ATOM 0 HB ILE A 411 -5.107 6.510 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 411 -3.998 7.428 4.548 1.00 0.00 H new ATOM 0 HG13 ILE A 411 -5.687 7.128 4.186 1.00 0.00 H new ATOM 0 HG21 ILE A 411 -2.771 5.743 2.196 1.00 0.00 H new ATOM 0 HG22 ILE A 411 -2.887 6.970 0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 411 -2.259 7.417 2.516 1.00 0.00 H new ATOM 0 HD11 ILE A 411 -4.709 5.253 5.426 1.00 0.00 H new ATOM 0 HD12 ILE A 411 -5.190 4.731 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 411 -3.476 5.036 4.161 1.00 0.00 H new ATOM 1216 N VAL A 412 -5.743 8.787 -0.083 1.00 0.00 N ATOM 1217 CA VAL A 412 -5.798 8.901 -1.535 1.00 0.00 C ATOM 1218 C VAL A 412 -5.322 10.285 -1.992 1.00 0.00 C ATOM 1219 O VAL A 412 -4.450 10.411 -2.851 1.00 0.00 O ATOM 1220 CB VAL A 412 -7.239 8.621 -2.017 1.00 0.00 C ATOM 1221 CG1 VAL A 412 -7.417 8.929 -3.500 1.00 0.00 C ATOM 1222 CG2 VAL A 412 -7.624 7.166 -1.747 1.00 0.00 C ATOM 0 H VAL A 412 -6.653 8.614 0.345 1.00 0.00 H new ATOM 0 HA VAL A 412 -5.128 8.164 -1.978 1.00 0.00 H new ATOM 0 HB VAL A 412 -7.896 9.283 -1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 412 -8.445 8.717 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 412 -7.196 9.981 -3.682 1.00 0.00 H new ATOM 0 HG13 VAL A 412 -6.737 8.309 -4.085 1.00 0.00 H new ATOM 0 HG21 VAL A 412 -8.642 6.989 -2.093 1.00 0.00 H new ATOM 0 HG22 VAL A 412 -6.940 6.504 -2.278 1.00 0.00 H new ATOM 0 HG23 VAL A 412 -7.565 6.967 -0.677 1.00 0.00 H new ATOM 1232 N GLU A 413 -5.964 11.334 -1.499 1.00 0.00 N ATOM 1233 CA GLU A 413 -5.585 12.709 -1.765 1.00 0.00 C ATOM 1234 C GLU A 413 -4.195 13.165 -1.303 1.00 0.00 C ATOM 1235 O GLU A 413 -3.547 13.944 -2.001 1.00 0.00 O ATOM 1236 CB GLU A 413 -6.745 13.625 -2.130 1.00 0.00 C ATOM 1237 CG GLU A 413 -7.848 13.693 -1.084 1.00 0.00 C ATOM 1238 CD GLU A 413 -9.006 12.718 -1.434 1.00 0.00 C ATOM 1239 OE1 GLU A 413 -8.784 11.730 -2.179 1.00 0.00 O ATOM 1240 OE2 GLU A 413 -10.179 12.954 -1.048 1.00 0.00 O ATOM 0 H GLU A 413 -6.779 11.249 -0.891 1.00 0.00 H new ATOM 0 HA GLU A 413 -5.122 12.902 -2.733 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -6.359 14.630 -2.298 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.176 13.287 -3.073 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -7.441 13.444 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -8.232 14.711 -1.020 1.00 0.00 H new ATOM 1247 N SER A 414 -3.654 12.568 -0.238 1.00 0.00 N ATOM 1248 CA SER A 414 -2.237 12.712 0.106 1.00 0.00 C ATOM 1249 C SER A 414 -1.309 11.927 -0.832 1.00 0.00 C ATOM 1250 O SER A 414 -0.200 12.350 -1.159 1.00 0.00 O ATOM 1251 CB SER A 414 -2.052 12.183 1.512 1.00 0.00 C ATOM 1252 OG SER A 414 -0.732 12.461 1.905 1.00 0.00 O ATOM 0 H SER A 414 -4.180 11.976 0.405 1.00 0.00 H new ATOM 0 HA SER A 414 -1.973 13.766 0.015 1.00 0.00 H new ATOM 0 HB2 SER A 414 -2.761 12.654 2.194 1.00 0.00 H new ATOM 0 HB3 SER A 414 -2.242 11.110 1.545 1.00 0.00 H new ATOM 0 HG SER A 414 -0.736 13.155 2.597 1.00 0.00 H new ATOM 1258 N LEU A 415 -1.763 10.762 -1.280 1.00 0.00 N ATOM 1259 CA LEU A 415 -1.124 9.974 -2.340 1.00 0.00 C ATOM 1260 C LEU A 415 -0.916 10.816 -3.594 1.00 0.00 C ATOM 1261 O LEU A 415 0.087 10.620 -4.279 1.00 0.00 O ATOM 1262 CB LEU A 415 -1.898 8.685 -2.681 1.00 0.00 C ATOM 1263 CG LEU A 415 -1.330 7.395 -2.091 1.00 0.00 C ATOM 1264 CD1 LEU A 415 -2.348 6.260 -2.225 1.00 0.00 C ATOM 1265 CD2 LEU A 415 -0.088 6.960 -2.864 1.00 0.00 C ATOM 0 H LEU A 415 -2.607 10.324 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 415 -0.153 9.667 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -2.926 8.799 -2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -1.935 8.581 -3.765 1.00 0.00 H new ATOM 0 HG LEU A 415 -1.092 7.590 -1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -1.932 5.346 -1.801 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -3.261 6.525 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -2.578 6.100 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 415 0.306 6.040 -2.432 1.00 0.00 H new ATOM 0 HD22 LEU A 415 -0.351 6.788 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.670 7.741 -2.805 1.00 0.00 H new