USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 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 367 GLN : amide:sc= -0.227 X(o=-0.24,f=-0.055) USER MOD Set 1.2: A 370 HIS : no HE2:sc= -0.014 X(o=-0.24,f=-0.48) USER MOD Set 2.1: A 350 LYS NZ :NH3+ -171:sc= 2.15 (180deg=0.934) USER MOD Set 2.2: A 353 ASN : amide:sc= 0.42 K(o=2.6,f=-3.1!) USER MOD Single : A 337 TYR OH : rot -130:sc= -0.916 USER MOD Single : A 338 SER OG : rot -158:sc= 1.19 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 344 LYS NZ :NH3+ 163:sc= 1.75 (180deg=1.15) USER MOD Single : A 356 THR OG1 : rot 180:sc= 0.299 USER MOD Single : A 359 HIS : no HE2:sc= 0.77 K(o=0.77,f=-5.9!) USER MOD Single : A 366 TYR OH : rot 30:sc= 0 USER MOD Single : A 373 SER OG : rot -65:sc= 1.27 USER MOD Single : A 375 THR OG1 : rot -30:sc= 0.527 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 -2:sc= 0.638 USER MOD Single : A 387 SER OG : rot 88:sc= 0.177 USER MOD Single : A 391 GLN : amide:sc= 1.84 K(o=1.8,f=-2.2) USER MOD Single : A 393 SER OG : rot -78:sc= 1.22 USER MOD Single : A 395 THR OG1 : rot 167:sc= 1.3 USER MOD Single : A 407 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 414 SER OG : rot 170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 336 3.430 5.447 -11.436 1.00 0.00 N ATOM 25 CA LEU A 336 3.509 4.169 -10.748 1.00 0.00 C ATOM 26 C LEU A 336 3.573 4.387 -9.236 1.00 0.00 C ATOM 27 O LEU A 336 3.816 5.502 -8.776 1.00 0.00 O ATOM 28 CB LEU A 336 4.773 3.421 -11.195 1.00 0.00 C ATOM 29 CG LEU A 336 4.461 2.191 -12.041 1.00 0.00 C ATOM 30 CD1 LEU A 336 5.782 1.462 -12.249 1.00 0.00 C ATOM 31 CD2 LEU A 336 3.483 1.203 -11.392 1.00 0.00 C ATOM 0 HA LEU A 336 2.622 3.584 -10.993 1.00 0.00 H new ATOM 0 HB2 LEU A 336 5.408 4.098 -11.766 1.00 0.00 H new ATOM 0 HB3 LEU A 336 5.341 3.117 -10.315 1.00 0.00 H new ATOM 0 HG LEU A 336 3.987 2.536 -12.960 1.00 0.00 H new ATOM 0 HD11 LEU A 336 5.614 0.569 -12.852 1.00 0.00 H new ATOM 0 HD12 LEU A 336 6.484 2.120 -12.762 1.00 0.00 H new ATOM 0 HD13 LEU A 336 6.195 1.175 -11.282 1.00 0.00 H new ATOM 0 HD21 LEU A 336 3.319 0.360 -12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 336 3.900 0.843 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 336 2.534 1.704 -11.200 1.00 0.00 H new ATOM 43 N TYR A 337 3.593 3.297 -8.473 1.00 0.00 N ATOM 44 CA TYR A 337 3.798 3.404 -7.038 1.00 0.00 C ATOM 45 C TYR A 337 5.285 3.143 -6.761 1.00 0.00 C ATOM 46 O TYR A 337 6.019 3.994 -6.263 1.00 0.00 O ATOM 47 CB TYR A 337 2.821 2.476 -6.318 1.00 0.00 C ATOM 48 CG TYR A 337 2.461 2.940 -4.918 1.00 0.00 C ATOM 49 CD1 TYR A 337 3.322 3.693 -4.083 1.00 0.00 C ATOM 50 CD2 TYR A 337 1.097 2.865 -4.597 1.00 0.00 C ATOM 51 CE1 TYR A 337 2.809 4.362 -2.949 1.00 0.00 C ATOM 52 CE2 TYR A 337 0.590 3.546 -3.493 1.00 0.00 C ATOM 53 CZ TYR A 337 1.428 4.281 -2.650 1.00 0.00 C ATOM 54 OH TYR A 337 0.869 4.860 -1.567 1.00 0.00 O ATOM 0 H TYR A 337 3.472 2.346 -8.820 1.00 0.00 H new ATOM 0 HA TYR A 337 3.578 4.397 -6.646 1.00 0.00 H new ATOM 0 HB2 TYR A 337 1.909 2.392 -6.910 1.00 0.00 H new ATOM 0 HB3 TYR A 337 3.256 1.478 -6.260 1.00 0.00 H new ATOM 0 HD1 TYR A 337 4.375 3.756 -4.314 1.00 0.00 H new ATOM 0 HD2 TYR A 337 0.434 2.274 -5.212 1.00 0.00 H new ATOM 0 HE1 TYR A 337 3.469 4.933 -2.313 1.00 0.00 H new ATOM 0 HE2 TYR A 337 -0.469 3.505 -3.285 1.00 0.00 H new ATOM 0 HH TYR A 337 0.317 4.203 -1.093 1.00 0.00 H new ATOM 64 N SER A 338 5.734 1.937 -7.127 1.00 0.00 N ATOM 65 CA SER A 338 7.077 1.392 -6.940 1.00 0.00 C ATOM 66 C SER A 338 8.197 2.192 -7.607 1.00 0.00 C ATOM 67 O SER A 338 9.334 2.149 -7.137 1.00 0.00 O ATOM 68 CB SER A 338 7.044 -0.065 -7.413 1.00 0.00 C ATOM 69 OG SER A 338 6.633 -0.134 -8.768 1.00 0.00 O ATOM 0 H SER A 338 5.121 1.270 -7.596 1.00 0.00 H new ATOM 0 HA SER A 338 7.330 1.459 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 338 8.032 -0.513 -7.302 1.00 0.00 H new ATOM 0 HB3 SER A 338 6.361 -0.641 -6.789 1.00 0.00 H new ATOM 0 HG SER A 338 6.275 -1.027 -8.956 1.00 0.00 H new ATOM 75 N SER A 339 7.864 2.973 -8.639 1.00 0.00 N ATOM 76 CA SER A 339 8.759 3.917 -9.291 1.00 0.00 C ATOM 77 C SER A 339 9.372 4.878 -8.270 1.00 0.00 C ATOM 78 O SER A 339 10.514 5.299 -8.451 1.00 0.00 O ATOM 79 CB SER A 339 8.028 4.655 -10.415 1.00 0.00 C ATOM 80 OG SER A 339 8.926 5.377 -11.231 1.00 0.00 O ATOM 0 H SER A 339 6.932 2.960 -9.053 1.00 0.00 H new ATOM 0 HA SER A 339 9.584 3.367 -9.745 1.00 0.00 H new ATOM 0 HB2 SER A 339 7.477 3.938 -11.024 1.00 0.00 H new ATOM 0 HB3 SER A 339 7.295 5.338 -9.986 1.00 0.00 H new ATOM 0 HG SER A 339 8.428 5.835 -11.940 1.00 0.00 H new ATOM 86 N LEU A 340 8.603 5.315 -7.264 1.00 0.00 N ATOM 87 CA LEU A 340 9.145 6.081 -6.151 1.00 0.00 C ATOM 88 C LEU A 340 10.264 5.267 -5.503 1.00 0.00 C ATOM 89 O LEU A 340 9.960 4.202 -4.958 1.00 0.00 O ATOM 90 CB LEU A 340 8.069 6.338 -5.093 1.00 0.00 C ATOM 91 CG LEU A 340 6.965 7.306 -5.526 1.00 0.00 C ATOM 92 CD1 LEU A 340 5.894 7.257 -4.433 1.00 0.00 C ATOM 93 CD2 LEU A 340 7.538 8.717 -5.740 1.00 0.00 C ATOM 0 H LEU A 340 7.599 5.146 -7.205 1.00 0.00 H new ATOM 0 HA LEU A 340 9.512 7.036 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 340 7.613 5.387 -4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 340 8.547 6.731 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 340 6.525 7.024 -6.483 1.00 0.00 H new ATOM 0 HD11 LEU A 340 5.079 7.932 -4.692 1.00 0.00 H new ATOM 0 HD12 LEU A 340 5.510 6.241 -4.346 1.00 0.00 H new ATOM 0 HD13 LEU A 340 6.330 7.563 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 340 6.739 9.391 -6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 340 7.978 9.076 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 340 8.304 8.685 -6.515 1.00 0.00 H new ATOM 152 N LYS A 344 9.348 9.340 -0.781 1.00 0.00 N ATOM 153 CA LYS A 344 7.893 9.538 -0.788 1.00 0.00 C ATOM 154 C LYS A 344 7.224 8.319 -0.154 1.00 0.00 C ATOM 155 O LYS A 344 6.292 8.500 0.611 1.00 0.00 O ATOM 156 CB LYS A 344 7.368 9.868 -2.193 1.00 0.00 C ATOM 157 CG LYS A 344 5.833 9.925 -2.383 1.00 0.00 C ATOM 158 CD LYS A 344 5.049 10.955 -1.557 1.00 0.00 C ATOM 159 CE LYS A 344 3.590 11.007 -2.062 1.00 0.00 C ATOM 160 NZ LYS A 344 2.679 11.707 -1.132 1.00 0.00 N ATOM 0 HA LYS A 344 7.636 10.410 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 344 7.780 10.833 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 344 7.766 9.125 -2.885 1.00 0.00 H new ATOM 0 HG2 LYS A 344 5.633 10.118 -3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 344 5.430 8.938 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 344 5.072 10.685 -0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 344 5.512 11.938 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 344 3.565 11.506 -3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 344 3.229 9.990 -2.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 1.804 11.964 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 2.451 11.082 -0.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 3.141 12.568 -0.776 1.00 0.00 H new ATOM 174 N ARG A 345 7.687 7.085 -0.400 1.00 0.00 N ATOM 175 CA ARG A 345 7.117 5.923 0.279 1.00 0.00 C ATOM 176 C ARG A 345 7.283 5.989 1.805 1.00 0.00 C ATOM 177 O ARG A 345 6.472 5.385 2.492 1.00 0.00 O ATOM 178 CB ARG A 345 7.593 4.579 -0.303 1.00 0.00 C ATOM 179 CG ARG A 345 7.185 4.409 -1.777 1.00 0.00 C ATOM 180 CD ARG A 345 7.294 2.950 -2.249 1.00 0.00 C ATOM 181 NE ARG A 345 8.493 2.679 -3.058 1.00 0.00 N ATOM 182 CZ ARG A 345 9.059 1.486 -3.275 1.00 0.00 C ATOM 183 NH1 ARG A 345 8.755 0.424 -2.524 1.00 0.00 N ATOM 184 NH2 ARG A 345 9.924 1.372 -4.275 1.00 0.00 N ATOM 0 H ARG A 345 8.441 6.872 -1.053 1.00 0.00 H new ATOM 0 HA ARG A 345 6.046 5.969 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 345 8.678 4.511 -0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 345 7.175 3.762 0.285 1.00 0.00 H new ATOM 0 HG2 ARG A 345 6.160 4.756 -1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 345 7.818 5.039 -2.402 1.00 0.00 H new ATOM 0 HD2 ARG A 345 7.298 2.295 -1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 345 6.408 2.699 -2.832 1.00 0.00 H new ATOM 0 HE ARG A 345 8.939 3.484 -3.499 1.00 0.00 H new ATOM 0 HH11 ARG A 345 8.078 0.512 -1.766 1.00 0.00 H new ATOM 0 HH12 ARG A 345 9.200 -0.475 -2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 345 10.142 2.182 -4.855 1.00 0.00 H new ATOM 0 HH22 ARG A 345 10.371 0.474 -4.463 1.00 0.00 H new ATOM 198 N GLU A 346 8.269 6.708 2.348 1.00 0.00 N ATOM 199 CA GLU A 346 8.421 6.908 3.794 1.00 0.00 C ATOM 200 C GLU A 346 7.328 7.830 4.330 1.00 0.00 C ATOM 201 O GLU A 346 6.723 7.536 5.360 1.00 0.00 O ATOM 202 CB GLU A 346 9.816 7.462 4.141 1.00 0.00 C ATOM 203 CG GLU A 346 10.936 6.561 3.611 1.00 0.00 C ATOM 204 CD GLU A 346 12.335 7.064 3.979 1.00 0.00 C ATOM 205 OE1 GLU A 346 12.763 6.752 5.115 1.00 0.00 O ATOM 206 OE2 GLU A 346 12.999 7.661 3.096 1.00 0.00 O ATOM 0 H GLU A 346 8.990 7.171 1.794 1.00 0.00 H new ATOM 0 HA GLU A 346 8.320 5.935 4.275 1.00 0.00 H new ATOM 0 HB2 GLU A 346 9.925 8.462 3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 346 9.909 7.559 5.223 1.00 0.00 H new ATOM 0 HG2 GLU A 346 10.802 5.554 4.007 1.00 0.00 H new ATOM 0 HG3 GLU A 346 10.855 6.491 2.526 1.00 0.00 H new ATOM 213 N GLU A 347 7.036 8.921 3.620 1.00 0.00 N ATOM 214 CA GLU A 347 5.880 9.761 3.913 1.00 0.00 C ATOM 215 C GLU A 347 4.602 8.915 3.819 1.00 0.00 C ATOM 216 O GLU A 347 3.749 8.979 4.703 1.00 0.00 O ATOM 217 CB GLU A 347 5.906 10.986 2.983 1.00 0.00 C ATOM 218 CG GLU A 347 4.652 11.875 3.037 1.00 0.00 C ATOM 219 CD GLU A 347 3.900 11.843 1.703 1.00 0.00 C ATOM 220 OE1 GLU A 347 3.251 10.821 1.383 1.00 0.00 O ATOM 221 OE2 GLU A 347 4.012 12.814 0.922 1.00 0.00 O ATOM 0 H GLU A 347 7.594 9.244 2.829 1.00 0.00 H new ATOM 0 HA GLU A 347 5.907 10.149 4.931 1.00 0.00 H new ATOM 0 HB2 GLU A 347 6.775 11.595 3.234 1.00 0.00 H new ATOM 0 HB3 GLU A 347 6.044 10.641 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 347 3.995 11.535 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 347 4.938 12.900 3.273 1.00 0.00 H new ATOM 228 N VAL A 348 4.507 8.037 2.823 1.00 0.00 N ATOM 229 CA VAL A 348 3.379 7.136 2.678 1.00 0.00 C ATOM 230 C VAL A 348 3.303 6.121 3.824 1.00 0.00 C ATOM 231 O VAL A 348 2.187 5.756 4.175 1.00 0.00 O ATOM 232 CB VAL A 348 3.417 6.470 1.299 1.00 0.00 C ATOM 233 CG1 VAL A 348 2.357 5.388 1.098 1.00 0.00 C ATOM 234 CG2 VAL A 348 3.221 7.517 0.191 1.00 0.00 C ATOM 0 H VAL A 348 5.214 7.934 2.095 1.00 0.00 H new ATOM 0 HA VAL A 348 2.459 7.718 2.742 1.00 0.00 H new ATOM 0 HB VAL A 348 4.398 5.997 1.244 1.00 0.00 H new ATOM 0 HG11 VAL A 348 2.452 4.967 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 348 2.497 4.600 1.838 1.00 0.00 H new ATOM 0 HG13 VAL A 348 1.365 5.824 1.215 1.00 0.00 H new ATOM 0 HG21 VAL A 348 3.251 7.027 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 348 2.256 8.008 0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 348 4.017 8.260 0.248 1.00 0.00 H new ATOM 244 N GLU A 349 4.398 5.683 4.454 1.00 0.00 N ATOM 245 CA GLU A 349 4.290 4.853 5.660 1.00 0.00 C ATOM 246 C GLU A 349 3.557 5.620 6.764 1.00 0.00 C ATOM 247 O GLU A 349 2.798 5.037 7.540 1.00 0.00 O ATOM 248 CB GLU A 349 5.646 4.354 6.184 1.00 0.00 C ATOM 249 CG GLU A 349 6.439 3.510 5.177 1.00 0.00 C ATOM 250 CD GLU A 349 7.193 2.361 5.849 1.00 0.00 C ATOM 251 OE1 GLU A 349 8.168 2.670 6.569 1.00 0.00 O ATOM 252 OE2 GLU A 349 6.878 1.182 5.565 1.00 0.00 O ATOM 0 H GLU A 349 5.353 5.884 4.157 1.00 0.00 H new ATOM 0 HA GLU A 349 3.721 3.969 5.373 1.00 0.00 H new ATOM 0 HB2 GLU A 349 6.249 5.214 6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 349 5.479 3.763 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 349 5.757 3.106 4.429 1.00 0.00 H new ATOM 0 HG3 GLU A 349 7.148 4.148 4.650 1.00 0.00 H new ATOM 259 N LYS A 350 3.735 6.945 6.831 1.00 0.00 N ATOM 260 CA LYS A 350 2.948 7.775 7.730 1.00 0.00 C ATOM 261 C LYS A 350 1.519 7.986 7.208 1.00 0.00 C ATOM 262 O LYS A 350 0.652 8.268 8.040 1.00 0.00 O ATOM 263 CB LYS A 350 3.702 9.085 7.990 1.00 0.00 C ATOM 264 CG LYS A 350 3.083 10.003 9.051 1.00 0.00 C ATOM 265 CD LYS A 350 3.114 9.510 10.513 1.00 0.00 C ATOM 266 CE LYS A 350 2.057 8.475 10.938 1.00 0.00 C ATOM 267 NZ LYS A 350 0.665 8.914 10.690 1.00 0.00 N ATOM 0 H LYS A 350 4.417 7.458 6.272 1.00 0.00 H new ATOM 0 HA LYS A 350 2.824 7.265 8.685 1.00 0.00 H new ATOM 0 HB2 LYS A 350 4.721 8.844 8.293 1.00 0.00 H new ATOM 0 HB3 LYS A 350 3.771 9.637 7.052 1.00 0.00 H new ATOM 0 HG2 LYS A 350 3.596 10.964 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 350 2.044 10.184 8.777 1.00 0.00 H new ATOM 0 HD2 LYS A 350 4.098 9.082 10.703 1.00 0.00 H new ATOM 0 HD3 LYS A 350 3.014 10.379 11.163 1.00 0.00 H new ATOM 0 HE2 LYS A 350 2.236 7.543 10.401 1.00 0.00 H new ATOM 0 HE3 LYS A 350 2.178 8.260 12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 0.005 8.244 11.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 0.522 9.861 11.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 0.488 8.946 9.666 1.00 0.00 H new ATOM 281 N LEU A 351 1.233 7.876 5.908 1.00 0.00 N ATOM 282 CA LEU A 351 -0.135 7.986 5.394 1.00 0.00 C ATOM 283 C LEU A 351 -0.907 6.670 5.552 1.00 0.00 C ATOM 284 O LEU A 351 -1.869 6.622 6.321 1.00 0.00 O ATOM 285 CB LEU A 351 -0.150 8.473 3.935 1.00 0.00 C ATOM 286 CG LEU A 351 0.379 9.904 3.744 1.00 0.00 C ATOM 287 CD1 LEU A 351 0.241 10.280 2.266 1.00 0.00 C ATOM 288 CD2 LEU A 351 -0.360 10.941 4.599 1.00 0.00 C ATOM 0 H LEU A 351 1.936 7.710 5.188 1.00 0.00 H new ATOM 0 HA LEU A 351 -0.647 8.736 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 351 0.449 7.792 3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 351 -1.171 8.421 3.557 1.00 0.00 H new ATOM 0 HG LEU A 351 1.420 9.914 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 351 0.612 11.293 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 351 0.821 9.585 1.658 1.00 0.00 H new ATOM 0 HD13 LEU A 351 -0.808 10.229 1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 351 0.062 11.930 4.417 1.00 0.00 H new ATOM 0 HD22 LEU A 351 -1.417 10.943 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 351 -0.250 10.688 5.654 1.00 0.00 H new ATOM 300 N LEU A 352 -0.455 5.581 4.916 1.00 0.00 N ATOM 301 CA LEU A 352 -0.940 4.198 5.039 1.00 0.00 C ATOM 302 C LEU A 352 -0.489 3.608 6.383 1.00 0.00 C ATOM 303 O LEU A 352 0.128 2.554 6.458 1.00 0.00 O ATOM 304 CB LEU A 352 -0.500 3.336 3.823 1.00 0.00 C ATOM 305 CG LEU A 352 -1.214 3.643 2.486 1.00 0.00 C ATOM 306 CD1 LEU A 352 -0.539 2.979 1.280 1.00 0.00 C ATOM 307 CD2 LEU A 352 -2.653 3.114 2.514 1.00 0.00 C ATOM 0 H LEU A 352 0.317 5.648 4.252 1.00 0.00 H new ATOM 0 HA LEU A 352 -2.030 4.196 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 352 0.572 3.466 3.679 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -0.663 2.286 4.068 1.00 0.00 H new ATOM 0 HG LEU A 352 -1.173 4.727 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -1.086 3.232 0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 352 0.488 3.335 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -0.538 1.897 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -3.142 3.338 1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -2.641 2.035 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -3.201 3.592 3.326 1.00 0.00 H new ATOM 319 N ASN A 353 -0.794 4.313 7.466 1.00 0.00 N ATOM 320 CA ASN A 353 -0.358 4.030 8.820 1.00 0.00 C ATOM 321 C ASN A 353 -1.449 3.340 9.634 1.00 0.00 C ATOM 322 O ASN A 353 -2.610 3.262 9.217 1.00 0.00 O ATOM 323 CB ASN A 353 0.109 5.329 9.487 1.00 0.00 C ATOM 324 CG ASN A 353 -0.998 6.241 10.016 1.00 0.00 C ATOM 325 OD1 ASN A 353 -0.936 6.660 11.168 1.00 0.00 O ATOM 326 ND2 ASN A 353 -1.951 6.687 9.214 1.00 0.00 N ATOM 0 H ASN A 353 -1.385 5.143 7.415 1.00 0.00 H new ATOM 0 HA ASN A 353 0.480 3.334 8.779 1.00 0.00 H new ATOM 0 HB2 ASN A 353 0.769 5.073 10.315 1.00 0.00 H new ATOM 0 HB3 ASN A 353 0.704 5.891 8.767 1.00 0.00 H new ATOM 0 HD21 ASN A 353 -2.625 7.372 9.555 1.00 0.00 H new ATOM 0 HD22 ASN A 353 -2.012 6.345 8.255 1.00 0.00 H new ATOM 333 N GLY A 354 -1.082 2.872 10.830 1.00 0.00 N ATOM 334 CA GLY A 354 -1.998 2.118 11.667 1.00 0.00 C ATOM 335 C GLY A 354 -2.196 0.743 11.042 1.00 0.00 C ATOM 336 O GLY A 354 -1.248 0.137 10.554 1.00 0.00 O ATOM 0 H GLY A 354 -0.155 3.006 11.234 1.00 0.00 H new ATOM 0 HA2 GLY A 354 -1.598 2.022 12.677 1.00 0.00 H new ATOM 0 HA3 GLY A 354 -2.952 2.638 11.750 1.00 0.00 H new ATOM 340 N ASP A 355 -3.437 0.269 11.046 1.00 0.00 N ATOM 341 CA ASP A 355 -3.833 -1.083 10.636 1.00 0.00 C ATOM 342 C ASP A 355 -4.571 -1.001 9.293 1.00 0.00 C ATOM 343 O ASP A 355 -4.756 -1.994 8.594 1.00 0.00 O ATOM 344 CB ASP A 355 -4.669 -1.766 11.730 1.00 0.00 C ATOM 345 CG ASP A 355 -4.365 -3.267 11.821 1.00 0.00 C ATOM 346 OD1 ASP A 355 -4.534 -3.996 10.824 1.00 0.00 O ATOM 347 OD2 ASP A 355 -3.920 -3.713 12.899 1.00 0.00 O ATOM 0 H ASP A 355 -4.230 0.835 11.346 1.00 0.00 H new ATOM 0 HA ASP A 355 -2.948 -1.705 10.500 1.00 0.00 H new ATOM 0 HB2 ASP A 355 -4.466 -1.294 12.691 1.00 0.00 H new ATOM 0 HB3 ASP A 355 -5.729 -1.621 11.522 1.00 0.00 H new ATOM 352 N THR A 356 -5.051 0.193 8.921 1.00 0.00 N ATOM 353 CA THR A 356 -5.639 0.469 7.618 1.00 0.00 C ATOM 354 C THR A 356 -4.844 -0.149 6.464 1.00 0.00 C ATOM 355 O THR A 356 -5.467 -0.656 5.532 1.00 0.00 O ATOM 356 CB THR A 356 -5.759 1.989 7.422 1.00 0.00 C ATOM 357 OG1 THR A 356 -6.491 2.571 8.485 1.00 0.00 O ATOM 358 CG2 THR A 356 -6.488 2.287 6.113 1.00 0.00 C ATOM 0 H THR A 356 -5.038 1.007 9.536 1.00 0.00 H new ATOM 0 HA THR A 356 -6.626 0.007 7.602 1.00 0.00 H new ATOM 0 HB THR A 356 -4.753 2.409 7.398 1.00 0.00 H new ATOM 0 HG1 THR A 356 -6.557 3.539 8.346 1.00 0.00 H new ATOM 0 HG21 THR A 356 -6.570 3.366 5.980 1.00 0.00 H new ATOM 0 HG22 THR A 356 -5.930 1.860 5.280 1.00 0.00 H new ATOM 0 HG23 THR A 356 -7.485 1.848 6.144 1.00 0.00 H new ATOM 366 N TRP A 357 -3.505 -0.103 6.495 1.00 0.00 N ATOM 367 CA TRP A 357 -2.704 -0.743 5.463 1.00 0.00 C ATOM 368 C TRP A 357 -3.134 -2.215 5.277 1.00 0.00 C ATOM 369 O TRP A 357 -3.449 -2.585 4.156 1.00 0.00 O ATOM 370 CB TRP A 357 -1.195 -0.517 5.674 1.00 0.00 C ATOM 371 CG TRP A 357 -0.513 -1.562 6.480 1.00 0.00 C ATOM 372 CD1 TRP A 357 -0.238 -1.533 7.802 1.00 0.00 C ATOM 373 CD2 TRP A 357 -0.105 -2.868 6.000 1.00 0.00 C ATOM 374 NE1 TRP A 357 0.261 -2.763 8.186 1.00 0.00 N ATOM 375 CE2 TRP A 357 0.322 -3.632 7.116 1.00 0.00 C ATOM 376 CE3 TRP A 357 -0.161 -3.512 4.744 1.00 0.00 C ATOM 377 CZ2 TRP A 357 0.646 -4.980 6.967 1.00 0.00 C ATOM 378 CZ3 TRP A 357 0.241 -4.844 4.590 1.00 0.00 C ATOM 379 CH2 TRP A 357 0.643 -5.562 5.713 1.00 0.00 C ATOM 0 H TRP A 357 -2.965 0.369 7.220 1.00 0.00 H new ATOM 0 HA TRP A 357 -2.903 -0.260 4.506 1.00 0.00 H new ATOM 0 HB2 TRP A 357 -0.711 -0.458 4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 357 -1.051 0.448 6.160 1.00 0.00 H new ATOM 0 HD1 TRP A 357 -0.385 -0.685 8.454 1.00 0.00 H new ATOM 0 HE1 TRP A 357 0.547 -2.998 9.136 1.00 0.00 H new ATOM 0 HE3 TRP A 357 -0.521 -2.966 3.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 357 0.900 -5.571 7.834 1.00 0.00 H new ATOM 0 HZ3 TRP A 357 0.239 -5.308 3.615 1.00 0.00 H new ATOM 0 HH2 TRP A 357 0.957 -6.589 5.603 1.00 0.00 H new ATOM 390 N ARG A 358 -3.156 -3.066 6.320 1.00 0.00 N ATOM 391 CA ARG A 358 -3.753 -4.415 6.296 1.00 0.00 C ATOM 392 C ARG A 358 -5.093 -4.504 5.575 1.00 0.00 C ATOM 393 O ARG A 358 -5.294 -5.428 4.790 1.00 0.00 O ATOM 394 CB ARG A 358 -3.799 -5.120 7.665 1.00 0.00 C ATOM 395 CG ARG A 358 -2.401 -5.533 8.151 1.00 0.00 C ATOM 396 CD ARG A 358 -2.401 -6.682 9.170 1.00 0.00 C ATOM 397 NE ARG A 358 -2.825 -6.244 10.508 1.00 0.00 N ATOM 398 CZ ARG A 358 -2.432 -6.797 11.663 1.00 0.00 C ATOM 399 NH1 ARG A 358 -1.730 -7.932 11.704 1.00 0.00 N ATOM 400 NH2 ARG A 358 -2.745 -6.192 12.802 1.00 0.00 N ATOM 0 H ARG A 358 -2.749 -2.829 7.225 1.00 0.00 H new ATOM 0 HA ARG A 358 -3.043 -4.976 5.688 1.00 0.00 H new ATOM 0 HB2 ARG A 358 -4.256 -4.456 8.399 1.00 0.00 H new ATOM 0 HB3 ARG A 358 -4.434 -6.003 7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 358 -1.802 -5.827 7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 358 -1.914 -4.666 8.598 1.00 0.00 H new ATOM 0 HD2 ARG A 358 -3.066 -7.473 8.822 1.00 0.00 H new ATOM 0 HD3 ARG A 358 -1.400 -7.110 9.231 1.00 0.00 H new ATOM 0 HE ARG A 358 -3.470 -5.456 10.561 1.00 0.00 H new ATOM 0 HH11 ARG A 358 -1.476 -8.406 10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 358 -1.447 -8.325 12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 358 -3.276 -5.321 12.788 1.00 0.00 H new ATOM 0 HH22 ARG A 358 -2.455 -6.598 13.692 1.00 0.00 H new ATOM 414 N HIS A 359 -6.030 -3.601 5.888 1.00 0.00 N ATOM 415 CA HIS A 359 -7.360 -3.611 5.274 1.00 0.00 C ATOM 416 C HIS A 359 -7.202 -3.554 3.753 1.00 0.00 C ATOM 417 O HIS A 359 -7.778 -4.353 3.018 1.00 0.00 O ATOM 418 CB HIS A 359 -8.228 -2.417 5.714 1.00 0.00 C ATOM 419 CG HIS A 359 -8.487 -2.181 7.184 1.00 0.00 C ATOM 420 ND1 HIS A 359 -7.636 -2.349 8.260 1.00 0.00 N ATOM 421 CD2 HIS A 359 -9.605 -1.543 7.646 1.00 0.00 C ATOM 422 CE1 HIS A 359 -8.243 -1.827 9.341 1.00 0.00 C ATOM 423 NE2 HIS A 359 -9.431 -1.281 9.010 1.00 0.00 N ATOM 0 H HIS A 359 -5.889 -2.852 6.566 1.00 0.00 H new ATOM 0 HA HIS A 359 -7.859 -4.525 5.597 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -7.765 -1.514 5.316 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -9.197 -2.521 5.225 1.00 0.00 H new ATOM 0 HD1 HIS A 359 -6.716 -2.789 8.238 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -10.474 -1.285 7.059 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -7.834 -1.843 10.340 1.00 0.00 H new ATOM 431 N LEU A 360 -6.408 -2.586 3.298 1.00 0.00 N ATOM 432 CA LEU A 360 -6.060 -2.389 1.907 1.00 0.00 C ATOM 433 C LEU A 360 -5.291 -3.593 1.351 1.00 0.00 C ATOM 434 O LEU A 360 -5.532 -3.976 0.217 1.00 0.00 O ATOM 435 CB LEU A 360 -5.262 -1.082 1.834 1.00 0.00 C ATOM 436 CG LEU A 360 -4.422 -0.929 0.562 1.00 0.00 C ATOM 437 CD1 LEU A 360 -5.325 -0.633 -0.633 1.00 0.00 C ATOM 438 CD2 LEU A 360 -3.422 0.193 0.791 1.00 0.00 C ATOM 0 H LEU A 360 -5.978 -1.898 3.916 1.00 0.00 H new ATOM 0 HA LEU A 360 -6.949 -2.311 1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 360 -5.954 -0.243 1.902 1.00 0.00 H new ATOM 0 HB3 LEU A 360 -4.603 -1.023 2.700 1.00 0.00 H new ATOM 0 HG LEU A 360 -3.887 -1.853 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 360 -4.717 -0.526 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 360 -6.030 -1.453 -0.768 1.00 0.00 H new ATOM 0 HD13 LEU A 360 -5.873 0.292 -0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 360 -2.810 0.323 -0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 360 -3.956 1.119 1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 360 -2.782 -0.057 1.637 1.00 0.00 H new ATOM 450 N ALA A 361 -4.367 -4.175 2.114 1.00 0.00 N ATOM 451 CA ALA A 361 -3.507 -5.282 1.716 1.00 0.00 C ATOM 452 C ALA A 361 -4.344 -6.419 1.110 1.00 0.00 C ATOM 453 O ALA A 361 -4.016 -6.912 0.033 1.00 0.00 O ATOM 454 CB ALA A 361 -2.606 -5.697 2.893 1.00 0.00 C ATOM 0 H ALA A 361 -4.192 -3.871 3.072 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.828 -4.973 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -1.966 -6.525 2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -1.987 -4.852 3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.226 -6.009 3.734 1.00 0.00 H new ATOM 460 N GLY A 362 -5.430 -6.822 1.779 1.00 0.00 N ATOM 461 CA GLY A 362 -6.350 -7.824 1.251 1.00 0.00 C ATOM 462 C GLY A 362 -7.089 -7.354 -0.003 1.00 0.00 C ATOM 463 O GLY A 362 -7.258 -8.127 -0.945 1.00 0.00 O ATOM 0 H GLY A 362 -5.691 -6.462 2.697 1.00 0.00 H new ATOM 0 HA2 GLY A 362 -5.795 -8.733 1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 362 -7.078 -8.082 2.020 1.00 0.00 H new ATOM 467 N GLU A 363 -7.509 -6.087 -0.047 1.00 0.00 N ATOM 468 CA GLU A 363 -8.152 -5.496 -1.221 1.00 0.00 C ATOM 469 C GLU A 363 -7.198 -5.440 -2.430 1.00 0.00 C ATOM 470 O GLU A 363 -7.658 -5.368 -3.573 1.00 0.00 O ATOM 471 CB GLU A 363 -8.693 -4.094 -0.870 1.00 0.00 C ATOM 472 CG GLU A 363 -9.980 -4.126 -0.029 1.00 0.00 C ATOM 473 CD GLU A 363 -11.218 -4.345 -0.905 1.00 0.00 C ATOM 474 OE1 GLU A 363 -11.367 -5.447 -1.475 1.00 0.00 O ATOM 475 OE2 GLU A 363 -11.957 -3.370 -1.164 1.00 0.00 O ATOM 0 H GLU A 363 -7.412 -5.440 0.735 1.00 0.00 H new ATOM 0 HA GLU A 363 -8.987 -6.134 -1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 363 -7.926 -3.543 -0.325 1.00 0.00 H new ATOM 0 HB3 GLU A 363 -8.885 -3.546 -1.792 1.00 0.00 H new ATOM 0 HG2 GLU A 363 -9.912 -4.922 0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 363 -10.082 -3.189 0.518 1.00 0.00 H new ATOM 482 N LEU A 364 -5.883 -5.531 -2.211 1.00 0.00 N ATOM 483 CA LEU A 364 -4.852 -5.644 -3.242 1.00 0.00 C ATOM 484 C LEU A 364 -4.612 -7.112 -3.638 1.00 0.00 C ATOM 485 O LEU A 364 -3.530 -7.469 -4.103 1.00 0.00 O ATOM 486 CB LEU A 364 -3.566 -4.934 -2.778 1.00 0.00 C ATOM 487 CG LEU A 364 -3.717 -3.414 -2.574 1.00 0.00 C ATOM 488 CD1 LEU A 364 -2.423 -2.832 -1.999 1.00 0.00 C ATOM 489 CD2 LEU A 364 -4.089 -2.662 -3.855 1.00 0.00 C ATOM 0 H LEU A 364 -5.493 -5.528 -1.269 1.00 0.00 H new ATOM 0 HA LEU A 364 -5.197 -5.142 -4.146 1.00 0.00 H new ATOM 0 HB2 LEU A 364 -3.235 -5.383 -1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 364 -2.781 -5.114 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 364 -4.542 -3.278 -1.875 1.00 0.00 H new ATOM 0 HD11 LEU A 364 -2.539 -1.757 -1.858 1.00 0.00 H new ATOM 0 HD12 LEU A 364 -2.207 -3.303 -1.040 1.00 0.00 H new ATOM 0 HD13 LEU A 364 -1.601 -3.021 -2.689 1.00 0.00 H new ATOM 0 HD21 LEU A 364 -4.179 -1.597 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 364 -3.313 -2.816 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 364 -5.040 -3.037 -4.234 1.00 0.00 H new ATOM 501 N GLY A 365 -5.644 -7.953 -3.524 1.00 0.00 N ATOM 502 CA GLY A 365 -5.668 -9.351 -3.939 1.00 0.00 C ATOM 503 C GLY A 365 -4.523 -10.212 -3.419 1.00 0.00 C ATOM 504 O GLY A 365 -4.127 -11.162 -4.094 1.00 0.00 O ATOM 0 H GLY A 365 -6.531 -7.657 -3.117 1.00 0.00 H new ATOM 0 HA2 GLY A 365 -6.609 -9.793 -3.611 1.00 0.00 H new ATOM 0 HA3 GLY A 365 -5.661 -9.388 -5.028 1.00 0.00 H new ATOM 508 N TYR A 366 -4.029 -9.937 -2.213 1.00 0.00 N ATOM 509 CA TYR A 366 -3.018 -10.751 -1.563 1.00 0.00 C ATOM 510 C TYR A 366 -3.649 -11.487 -0.381 1.00 0.00 C ATOM 511 O TYR A 366 -4.353 -10.887 0.431 1.00 0.00 O ATOM 512 CB TYR A 366 -1.837 -9.863 -1.160 1.00 0.00 C ATOM 513 CG TYR A 366 -0.847 -9.488 -2.265 1.00 0.00 C ATOM 514 CD1 TYR A 366 -0.426 -10.429 -3.232 1.00 0.00 C ATOM 515 CD2 TYR A 366 -0.209 -8.238 -2.192 1.00 0.00 C ATOM 516 CE1 TYR A 366 0.634 -10.132 -4.105 1.00 0.00 C ATOM 517 CE2 TYR A 366 0.870 -7.948 -3.039 1.00 0.00 C ATOM 518 CZ TYR A 366 1.298 -8.892 -3.994 1.00 0.00 C ATOM 519 OH TYR A 366 2.352 -8.591 -4.795 1.00 0.00 O ATOM 0 H TYR A 366 -4.326 -9.134 -1.659 1.00 0.00 H new ATOM 0 HA TYR A 366 -2.628 -11.510 -2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 366 -2.235 -8.942 -0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 366 -1.286 -10.370 -0.368 1.00 0.00 H new ATOM 0 HD1 TYR A 366 -0.924 -11.385 -3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 366 -0.551 -7.499 -1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 366 0.938 -10.847 -4.855 1.00 0.00 H new ATOM 0 HE2 TYR A 366 1.375 -6.997 -2.959 1.00 0.00 H new ATOM 0 HH TYR A 366 2.251 -9.050 -5.655 1.00 0.00 H new ATOM 529 N GLN A 367 -3.449 -12.810 -0.331 1.00 0.00 N ATOM 530 CA GLN A 367 -3.923 -13.676 0.748 1.00 0.00 C ATOM 531 C GLN A 367 -3.511 -13.149 2.131 1.00 0.00 C ATOM 532 O GLN A 367 -2.450 -12.531 2.244 1.00 0.00 O ATOM 533 CB GLN A 367 -3.334 -15.083 0.570 1.00 0.00 C ATOM 534 CG GLN A 367 -3.696 -15.783 -0.747 1.00 0.00 C ATOM 535 CD GLN A 367 -3.296 -17.250 -0.640 1.00 0.00 C ATOM 536 OE1 GLN A 367 -4.151 -18.117 -0.501 1.00 0.00 O ATOM 537 NE2 GLN A 367 -2.002 -17.515 -0.629 1.00 0.00 N ATOM 0 H GLN A 367 -2.942 -13.316 -1.057 1.00 0.00 H new ATOM 0 HA GLN A 367 -5.012 -13.697 0.696 1.00 0.00 H new ATOM 0 HB2 GLN A 367 -2.248 -15.016 0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 367 -3.669 -15.707 1.398 1.00 0.00 H new ATOM 0 HG2 GLN A 367 -4.765 -15.695 -0.942 1.00 0.00 H new ATOM 0 HG3 GLN A 367 -3.180 -15.309 -1.582 1.00 0.00 H new ATOM 0 HE21 GLN A 367 -1.326 -16.761 -0.749 1.00 0.00 H new ATOM 0 HE22 GLN A 367 -1.679 -18.474 -0.501 1.00 0.00 H new ATOM 546 N PRO A 368 -4.204 -13.545 3.218 1.00 0.00 N ATOM 547 CA PRO A 368 -3.860 -13.110 4.569 1.00 0.00 C ATOM 548 C PRO A 368 -2.494 -13.608 5.041 1.00 0.00 C ATOM 549 O PRO A 368 -1.894 -12.965 5.897 1.00 0.00 O ATOM 550 CB PRO A 368 -4.996 -13.595 5.474 1.00 0.00 C ATOM 551 CG PRO A 368 -5.606 -14.759 4.697 1.00 0.00 C ATOM 552 CD PRO A 368 -5.434 -14.324 3.244 1.00 0.00 C ATOM 0 HA PRO A 368 -3.763 -12.025 4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 368 -4.624 -13.915 6.447 1.00 0.00 H new ATOM 0 HB3 PRO A 368 -5.727 -12.808 5.655 1.00 0.00 H new ATOM 0 HG2 PRO A 368 -5.090 -15.697 4.902 1.00 0.00 H new ATOM 0 HG3 PRO A 368 -6.655 -14.910 4.952 1.00 0.00 H new ATOM 0 HD2 PRO A 368 -5.367 -15.186 2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 368 -6.283 -13.729 2.909 1.00 0.00 H new ATOM 560 N GLU A 369 -1.974 -14.690 4.456 1.00 0.00 N ATOM 561 CA GLU A 369 -0.622 -15.174 4.718 1.00 0.00 C ATOM 562 C GLU A 369 0.380 -14.070 4.366 1.00 0.00 C ATOM 563 O GLU A 369 1.296 -13.768 5.125 1.00 0.00 O ATOM 564 CB GLU A 369 -0.323 -16.406 3.841 1.00 0.00 C ATOM 565 CG GLU A 369 -1.338 -17.554 3.938 1.00 0.00 C ATOM 566 CD GLU A 369 -0.974 -18.692 2.972 1.00 0.00 C ATOM 567 OE1 GLU A 369 -0.879 -18.410 1.753 1.00 0.00 O ATOM 568 OE2 GLU A 369 -0.801 -19.829 3.457 1.00 0.00 O ATOM 0 H GLU A 369 -2.487 -15.258 3.781 1.00 0.00 H new ATOM 0 HA GLU A 369 -0.538 -15.446 5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 369 -0.265 -16.084 2.801 1.00 0.00 H new ATOM 0 HB3 GLU A 369 0.660 -16.791 4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 369 -1.367 -17.934 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 369 -2.336 -17.182 3.708 1.00 0.00 H new ATOM 575 N HIS A 370 0.190 -13.465 3.193 1.00 0.00 N ATOM 576 CA HIS A 370 1.079 -12.464 2.636 1.00 0.00 C ATOM 577 C HIS A 370 0.878 -11.158 3.401 1.00 0.00 C ATOM 578 O HIS A 370 1.852 -10.475 3.696 1.00 0.00 O ATOM 579 CB HIS A 370 0.774 -12.286 1.140 1.00 0.00 C ATOM 580 CG HIS A 370 0.681 -13.577 0.351 1.00 0.00 C ATOM 581 ND1 HIS A 370 1.192 -14.810 0.706 1.00 0.00 N ATOM 582 CD2 HIS A 370 -0.080 -13.762 -0.771 1.00 0.00 C ATOM 583 CE1 HIS A 370 0.717 -15.719 -0.161 1.00 0.00 C ATOM 584 NE2 HIS A 370 -0.070 -15.127 -1.079 1.00 0.00 N ATOM 0 H HIS A 370 -0.610 -13.668 2.594 1.00 0.00 H new ATOM 0 HA HIS A 370 2.120 -12.774 2.733 1.00 0.00 H new ATOM 0 HB2 HIS A 370 -0.167 -11.746 1.037 1.00 0.00 H new ATOM 0 HB3 HIS A 370 1.550 -11.661 0.697 1.00 0.00 H new ATOM 0 HD1 HIS A 370 1.819 -14.997 1.488 1.00 0.00 H new ATOM 0 HD2 HIS A 370 -0.597 -12.990 -1.322 1.00 0.00 H new ATOM 0 HE1 HIS A 370 0.936 -16.776 -0.127 1.00 0.00 H new ATOM 592 N ILE A 371 -0.372 -10.823 3.755 1.00 0.00 N ATOM 593 CA ILE A 371 -0.658 -9.632 4.546 1.00 0.00 C ATOM 594 C ILE A 371 0.108 -9.724 5.862 1.00 0.00 C ATOM 595 O ILE A 371 0.807 -8.777 6.209 1.00 0.00 O ATOM 596 CB ILE A 371 -2.171 -9.434 4.802 1.00 0.00 C ATOM 597 CG1 ILE A 371 -2.979 -9.364 3.489 1.00 0.00 C ATOM 598 CG2 ILE A 371 -2.393 -8.154 5.636 1.00 0.00 C ATOM 599 CD1 ILE A 371 -4.494 -9.381 3.716 1.00 0.00 C ATOM 0 H ILE A 371 -1.198 -11.366 3.502 1.00 0.00 H new ATOM 0 HA ILE A 371 -0.332 -8.759 3.980 1.00 0.00 H new ATOM 0 HB ILE A 371 -2.532 -10.301 5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 371 -2.708 -8.456 2.950 1.00 0.00 H new ATOM 0 HG13 ILE A 371 -2.703 -10.206 2.854 1.00 0.00 H new ATOM 0 HG21 ILE A 371 -3.459 -8.017 5.815 1.00 0.00 H new ATOM 0 HG22 ILE A 371 -1.874 -8.247 6.590 1.00 0.00 H new ATOM 0 HG23 ILE A 371 -2.003 -7.293 5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 371 -5.006 -9.330 2.755 1.00 0.00 H new ATOM 0 HD12 ILE A 371 -4.775 -10.301 4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 371 -4.780 -8.524 4.326 1.00 0.00 H new ATOM 611 N ASP A 372 0.009 -10.825 6.610 1.00 0.00 N ATOM 612 CA ASP A 372 0.727 -10.842 7.879 1.00 0.00 C ATOM 613 C ASP A 372 2.238 -10.945 7.666 1.00 0.00 C ATOM 614 O ASP A 372 2.988 -10.355 8.444 1.00 0.00 O ATOM 615 CB ASP A 372 0.126 -11.777 8.936 1.00 0.00 C ATOM 616 CG ASP A 372 -0.136 -10.968 10.220 1.00 0.00 C ATOM 617 OD1 ASP A 372 -0.961 -10.019 10.158 1.00 0.00 O ATOM 618 OD2 ASP A 372 0.491 -11.262 11.259 1.00 0.00 O ATOM 0 H ASP A 372 -0.524 -11.663 6.379 1.00 0.00 H new ATOM 0 HA ASP A 372 0.575 -9.870 8.347 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -0.802 -12.215 8.569 1.00 0.00 H new ATOM 0 HB3 ASP A 372 0.808 -12.602 9.142 1.00 0.00 H new ATOM 623 N SER A 373 2.713 -11.566 6.573 1.00 0.00 N ATOM 624 CA SER A 373 4.152 -11.583 6.297 1.00 0.00 C ATOM 625 C SER A 373 4.693 -10.205 5.922 1.00 0.00 C ATOM 626 O SER A 373 5.855 -9.915 6.197 1.00 0.00 O ATOM 627 CB SER A 373 4.423 -12.560 5.138 1.00 0.00 C ATOM 628 OG SER A 373 5.801 -12.762 4.873 1.00 0.00 O ATOM 0 H SER A 373 2.136 -12.050 5.885 1.00 0.00 H new ATOM 0 HA SER A 373 4.660 -11.898 7.208 1.00 0.00 H new ATOM 0 HB2 SER A 373 3.962 -13.520 5.369 1.00 0.00 H new ATOM 0 HB3 SER A 373 3.940 -12.183 4.236 1.00 0.00 H new ATOM 0 HG SER A 373 6.201 -11.923 4.562 1.00 0.00 H new ATOM 634 N PHE A 374 3.826 -9.241 5.646 1.00 0.00 N ATOM 635 CA PHE A 374 4.265 -7.914 5.238 1.00 0.00 C ATOM 636 C PHE A 374 4.476 -7.076 6.497 1.00 0.00 C ATOM 637 O PHE A 374 5.339 -6.204 6.488 1.00 0.00 O ATOM 638 CB PHE A 374 3.227 -7.240 4.322 1.00 0.00 C ATOM 639 CG PHE A 374 3.305 -7.442 2.823 1.00 0.00 C ATOM 640 CD1 PHE A 374 4.521 -7.301 2.125 1.00 0.00 C ATOM 641 CD2 PHE A 374 2.133 -7.734 2.096 1.00 0.00 C ATOM 642 CE1 PHE A 374 4.553 -7.436 0.724 1.00 0.00 C ATOM 643 CE2 PHE A 374 2.166 -7.868 0.696 1.00 0.00 C ATOM 644 CZ PHE A 374 3.374 -7.698 0.000 1.00 0.00 C ATOM 0 H PHE A 374 2.813 -9.353 5.697 1.00 0.00 H new ATOM 0 HA PHE A 374 5.193 -7.997 4.673 1.00 0.00 H new ATOM 0 HB2 PHE A 374 2.241 -7.575 4.645 1.00 0.00 H new ATOM 0 HB3 PHE A 374 3.276 -6.167 4.509 1.00 0.00 H new ATOM 0 HD1 PHE A 374 5.431 -7.089 2.666 1.00 0.00 H new ATOM 0 HD2 PHE A 374 1.197 -7.856 2.621 1.00 0.00 H new ATOM 0 HE1 PHE A 374 5.492 -7.338 0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 374 1.261 -8.102 0.155 1.00 0.00 H new ATOM 0 HZ PHE A 374 3.398 -7.767 -1.077 1.00 0.00 H new ATOM 654 N THR A 375 3.751 -7.332 7.596 1.00 0.00 N ATOM 655 CA THR A 375 4.075 -6.673 8.860 1.00 0.00 C ATOM 656 C THR A 375 5.270 -7.344 9.568 1.00 0.00 C ATOM 657 O THR A 375 5.752 -6.784 10.554 1.00 0.00 O ATOM 658 CB THR A 375 2.845 -6.512 9.775 1.00 0.00 C ATOM 659 OG1 THR A 375 3.165 -5.763 10.929 1.00 0.00 O ATOM 660 CG2 THR A 375 2.150 -7.810 10.181 1.00 0.00 C ATOM 0 H THR A 375 2.959 -7.973 7.633 1.00 0.00 H new ATOM 0 HA THR A 375 4.393 -5.659 8.616 1.00 0.00 H new ATOM 0 HB THR A 375 2.125 -5.976 9.157 1.00 0.00 H new ATOM 0 HG1 THR A 375 4.106 -5.908 11.162 1.00 0.00 H new ATOM 0 HG21 THR A 375 1.299 -7.582 10.823 1.00 0.00 H new ATOM 0 HG22 THR A 375 1.802 -8.331 9.289 1.00 0.00 H new ATOM 0 HG23 THR A 375 2.852 -8.445 10.721 1.00 0.00 H new ATOM 668 N HIS A 376 5.714 -8.526 9.124 1.00 0.00 N ATOM 669 CA HIS A 376 6.900 -9.212 9.634 1.00 0.00 C ATOM 670 C HIS A 376 8.145 -8.816 8.833 1.00 0.00 C ATOM 671 O HIS A 376 9.237 -8.728 9.397 1.00 0.00 O ATOM 672 CB HIS A 376 6.683 -10.731 9.655 1.00 0.00 C ATOM 673 CG HIS A 376 5.749 -11.174 10.758 1.00 0.00 C ATOM 674 ND1 HIS A 376 4.373 -11.169 10.719 1.00 0.00 N ATOM 675 CD2 HIS A 376 6.118 -11.620 11.999 1.00 0.00 C ATOM 676 CE1 HIS A 376 3.921 -11.605 11.906 1.00 0.00 C ATOM 677 NE2 HIS A 376 4.952 -11.896 12.723 1.00 0.00 N ATOM 0 H HIS A 376 5.244 -9.042 8.381 1.00 0.00 H new ATOM 0 HA HIS A 376 7.068 -8.897 10.664 1.00 0.00 H new ATOM 0 HB2 HIS A 376 6.279 -11.049 8.694 1.00 0.00 H new ATOM 0 HB3 HIS A 376 7.645 -11.229 9.778 1.00 0.00 H new ATOM 0 HD1 HIS A 376 3.797 -10.884 9.927 1.00 0.00 H new ATOM 0 HD2 HIS A 376 7.130 -11.738 12.356 1.00 0.00 H new ATOM 0 HE1 HIS A 376 2.878 -11.708 12.169 1.00 0.00 H new ATOM 685 N GLU A 377 8.006 -8.655 7.516 1.00 0.00 N ATOM 686 CA GLU A 377 9.033 -8.122 6.633 1.00 0.00 C ATOM 687 C GLU A 377 9.446 -6.705 7.075 1.00 0.00 C ATOM 688 O GLU A 377 8.789 -6.071 7.901 1.00 0.00 O ATOM 689 CB GLU A 377 8.504 -8.149 5.186 1.00 0.00 C ATOM 690 CG GLU A 377 8.530 -9.569 4.586 1.00 0.00 C ATOM 691 CD GLU A 377 7.551 -9.733 3.414 1.00 0.00 C ATOM 692 OE1 GLU A 377 7.604 -8.878 2.498 1.00 0.00 O ATOM 693 OE2 GLU A 377 6.785 -10.729 3.430 1.00 0.00 O ATOM 0 H GLU A 377 7.147 -8.901 7.024 1.00 0.00 H new ATOM 0 HA GLU A 377 9.931 -8.738 6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 377 7.484 -7.766 5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 377 9.106 -7.483 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 377 9.540 -9.797 4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 377 8.285 -10.293 5.363 1.00 0.00 H new ATOM 700 N ALA A 378 10.543 -6.201 6.490 1.00 0.00 N ATOM 701 CA ALA A 378 11.358 -5.107 7.029 1.00 0.00 C ATOM 702 C ALA A 378 10.533 -3.927 7.551 1.00 0.00 C ATOM 703 O ALA A 378 10.757 -3.471 8.672 1.00 0.00 O ATOM 704 CB ALA A 378 12.375 -4.655 5.974 1.00 0.00 C ATOM 0 H ALA A 378 10.896 -6.556 5.601 1.00 0.00 H new ATOM 0 HA ALA A 378 11.884 -5.497 7.901 1.00 0.00 H new ATOM 0 HB1 ALA A 378 12.980 -3.842 6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 378 13.022 -5.492 5.710 1.00 0.00 H new ATOM 0 HB3 ALA A 378 11.848 -4.309 5.085 1.00 0.00 H new ATOM 710 N CYS A 379 9.618 -3.420 6.725 1.00 0.00 N ATOM 711 CA CYS A 379 8.468 -2.633 7.141 1.00 0.00 C ATOM 712 C CYS A 379 7.355 -3.018 6.151 1.00 0.00 C ATOM 713 O CYS A 379 7.699 -3.253 4.984 1.00 0.00 O ATOM 714 CB CYS A 379 8.724 -1.112 7.055 1.00 0.00 C ATOM 715 SG CYS A 379 10.282 -0.579 7.828 1.00 0.00 S ATOM 0 H CYS A 379 9.663 -3.553 5.715 1.00 0.00 H new ATOM 0 HA CYS A 379 8.222 -2.837 8.183 1.00 0.00 H new ATOM 0 HB2 CYS A 379 8.730 -0.814 6.007 1.00 0.00 H new ATOM 0 HB3 CYS A 379 7.896 -0.587 7.531 1.00 0.00 H new ATOM 0 HG CYS A 379 10.882 -1.608 8.349 1.00 0.00 H new ATOM 721 N PRO A 380 6.065 -2.999 6.548 1.00 0.00 N ATOM 722 CA PRO A 380 4.933 -3.255 5.661 1.00 0.00 C ATOM 723 C PRO A 380 4.968 -2.298 4.491 1.00 0.00 C ATOM 724 O PRO A 380 5.435 -2.694 3.436 1.00 0.00 O ATOM 725 CB PRO A 380 3.672 -3.196 6.530 1.00 0.00 C ATOM 726 CG PRO A 380 4.103 -2.397 7.758 1.00 0.00 C ATOM 727 CD PRO A 380 5.589 -2.728 7.896 1.00 0.00 C ATOM 0 HA PRO A 380 4.962 -4.240 5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 380 2.849 -2.709 6.006 1.00 0.00 H new ATOM 0 HB3 PRO A 380 3.329 -4.194 6.804 1.00 0.00 H new ATOM 0 HG2 PRO A 380 3.941 -1.328 7.618 1.00 0.00 H new ATOM 0 HG3 PRO A 380 3.542 -2.691 8.645 1.00 0.00 H new ATOM 0 HD2 PRO A 380 6.134 -1.897 8.343 1.00 0.00 H new ATOM 0 HD3 PRO A 380 5.738 -3.592 8.544 1.00 0.00 H new ATOM 735 N VAL A 381 4.450 -1.081 4.614 1.00 0.00 N ATOM 736 CA VAL A 381 4.368 -0.130 3.514 1.00 0.00 C ATOM 737 C VAL A 381 5.635 -0.077 2.619 1.00 0.00 C ATOM 738 O VAL A 381 5.486 -0.058 1.396 1.00 0.00 O ATOM 739 CB VAL A 381 3.748 1.184 4.016 1.00 0.00 C ATOM 740 CG1 VAL A 381 3.630 2.241 2.913 1.00 0.00 C ATOM 741 CG2 VAL A 381 2.329 0.933 4.552 1.00 0.00 C ATOM 0 H VAL A 381 4.071 -0.724 5.491 1.00 0.00 H new ATOM 0 HA VAL A 381 3.666 -0.483 2.758 1.00 0.00 H new ATOM 0 HB VAL A 381 4.415 1.551 4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 381 3.186 3.148 3.324 1.00 0.00 H new ATOM 0 HG12 VAL A 381 4.621 2.468 2.519 1.00 0.00 H new ATOM 0 HG13 VAL A 381 2.999 1.860 2.110 1.00 0.00 H new ATOM 0 HG21 VAL A 381 1.902 1.872 4.904 1.00 0.00 H new ATOM 0 HG22 VAL A 381 1.706 0.527 3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 381 2.372 0.222 5.377 1.00 0.00 H new ATOM 751 N ARG A 382 6.874 -0.166 3.129 1.00 0.00 N ATOM 752 CA ARG A 382 8.035 -0.308 2.236 1.00 0.00 C ATOM 753 C ARG A 382 7.952 -1.562 1.359 1.00 0.00 C ATOM 754 O ARG A 382 7.992 -1.412 0.130 1.00 0.00 O ATOM 755 CB ARG A 382 9.375 -0.364 3.006 1.00 0.00 C ATOM 756 CG ARG A 382 10.203 0.928 3.094 1.00 0.00 C ATOM 757 CD ARG A 382 10.115 1.660 4.439 1.00 0.00 C ATOM 758 NE ARG A 382 11.387 2.338 4.752 1.00 0.00 N ATOM 759 CZ ARG A 382 11.535 3.453 5.477 1.00 0.00 C ATOM 760 NH1 ARG A 382 10.537 3.955 6.193 1.00 0.00 N ATOM 761 NH2 ARG A 382 12.707 4.080 5.447 1.00 0.00 N ATOM 0 H ARG A 382 7.095 -0.143 4.125 1.00 0.00 H new ATOM 0 HA ARG A 382 8.008 0.584 1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 382 9.164 -0.697 4.022 1.00 0.00 H new ATOM 0 HB3 ARG A 382 9.997 -1.130 2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 382 11.247 0.687 2.895 1.00 0.00 H new ATOM 0 HG3 ARG A 382 9.877 1.606 2.306 1.00 0.00 H new ATOM 0 HD2 ARG A 382 9.307 2.391 4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 382 9.873 0.950 5.229 1.00 0.00 H new ATOM 0 HE ARG A 382 12.237 1.916 4.379 1.00 0.00 H new ATOM 0 HH11 ARG A 382 9.630 3.489 6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 382 10.677 4.807 6.737 1.00 0.00 H new ATOM 0 HH21 ARG A 382 13.469 3.709 4.880 1.00 0.00 H new ATOM 0 HH22 ARG A 382 12.844 4.932 5.991 1.00 0.00 H new ATOM 775 N ALA A 383 7.919 -2.770 1.942 1.00 0.00 N ATOM 776 CA ALA A 383 8.027 -3.986 1.133 1.00 0.00 C ATOM 777 C ALA A 383 6.689 -4.366 0.495 1.00 0.00 C ATOM 778 O ALA A 383 6.664 -5.029 -0.538 1.00 0.00 O ATOM 779 CB ALA A 383 8.492 -5.137 2.034 1.00 0.00 C ATOM 0 H ALA A 383 7.821 -2.927 2.945 1.00 0.00 H new ATOM 0 HA ALA A 383 8.742 -3.799 0.332 1.00 0.00 H new ATOM 0 HB1 ALA A 383 8.577 -6.050 1.444 1.00 0.00 H new ATOM 0 HB2 ALA A 383 9.463 -4.892 2.465 1.00 0.00 H new ATOM 0 HB3 ALA A 383 7.767 -5.288 2.834 1.00 0.00 H new ATOM 785 N LEU A 384 5.608 -3.736 0.938 1.00 0.00 N ATOM 786 CA LEU A 384 4.272 -3.821 0.394 1.00 0.00 C ATOM 787 C LEU A 384 4.293 -3.136 -0.947 1.00 0.00 C ATOM 788 O LEU A 384 3.892 -3.714 -1.941 1.00 0.00 O ATOM 789 CB LEU A 384 3.323 -3.092 1.348 1.00 0.00 C ATOM 790 CG LEU A 384 1.845 -3.095 0.954 1.00 0.00 C ATOM 791 CD1 LEU A 384 1.293 -4.510 1.112 1.00 0.00 C ATOM 792 CD2 LEU A 384 1.131 -2.117 1.891 1.00 0.00 C ATOM 0 H LEU A 384 5.652 -3.111 1.743 1.00 0.00 H new ATOM 0 HA LEU A 384 3.940 -4.853 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 384 3.416 -3.542 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 384 3.653 -2.057 1.437 1.00 0.00 H new ATOM 0 HG LEU A 384 1.698 -2.791 -0.082 1.00 0.00 H new ATOM 0 HD11 LEU A 384 0.239 -4.523 0.833 1.00 0.00 H new ATOM 0 HD12 LEU A 384 1.847 -5.191 0.466 1.00 0.00 H new ATOM 0 HD13 LEU A 384 1.398 -4.828 2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.070 -2.087 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.255 -2.445 2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 384 1.559 -1.122 1.773 1.00 0.00 H new ATOM 804 N LEU A 385 4.816 -1.913 -0.999 1.00 0.00 N ATOM 805 CA LEU A 385 4.825 -1.132 -2.221 1.00 0.00 C ATOM 806 C LEU A 385 5.942 -1.594 -3.153 1.00 0.00 C ATOM 807 O LEU A 385 5.903 -1.255 -4.333 1.00 0.00 O ATOM 808 CB LEU A 385 4.980 0.354 -1.884 1.00 0.00 C ATOM 809 CG LEU A 385 3.841 0.925 -1.019 1.00 0.00 C ATOM 810 CD1 LEU A 385 4.205 2.352 -0.607 1.00 0.00 C ATOM 811 CD2 LEU A 385 2.487 0.886 -1.728 1.00 0.00 C ATOM 0 H LEU A 385 5.241 -1.444 -0.199 1.00 0.00 H new ATOM 0 HA LEU A 385 3.877 -1.280 -2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 385 5.926 0.501 -1.363 1.00 0.00 H new ATOM 0 HB3 LEU A 385 5.036 0.922 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 385 3.733 0.297 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 385 3.406 2.769 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 385 5.133 2.340 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 385 4.336 2.966 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 385 1.721 1.300 -1.073 1.00 0.00 H new ATOM 0 HD22 LEU A 385 2.539 1.475 -2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 385 2.235 -0.145 -1.974 1.00 0.00 H new ATOM 823 N ALA A 386 6.954 -2.313 -2.651 1.00 0.00 N ATOM 824 CA ALA A 386 7.919 -2.968 -3.525 1.00 0.00 C ATOM 825 C ALA A 386 7.307 -4.196 -4.211 1.00 0.00 C ATOM 826 O ALA A 386 7.511 -4.360 -5.409 1.00 0.00 O ATOM 827 CB ALA A 386 9.151 -3.383 -2.712 1.00 0.00 C ATOM 0 H ALA A 386 7.120 -2.452 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 386 8.212 -2.261 -4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 386 9.871 -3.873 -3.367 1.00 0.00 H new ATOM 0 HB2 ALA A 386 9.608 -2.499 -2.267 1.00 0.00 H new ATOM 0 HB3 ALA A 386 8.851 -4.073 -1.923 1.00 0.00 H new ATOM 833 N SER A 387 6.527 -5.005 -3.489 1.00 0.00 N ATOM 834 CA SER A 387 6.035 -6.287 -3.983 1.00 0.00 C ATOM 835 C SER A 387 4.679 -6.131 -4.671 1.00 0.00 C ATOM 836 O SER A 387 4.520 -6.576 -5.806 1.00 0.00 O ATOM 837 CB SER A 387 5.983 -7.281 -2.820 1.00 0.00 C ATOM 838 OG SER A 387 7.283 -7.443 -2.279 1.00 0.00 O ATOM 0 H SER A 387 6.220 -4.785 -2.542 1.00 0.00 H new ATOM 0 HA SER A 387 6.717 -6.674 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 387 5.299 -6.922 -2.051 1.00 0.00 H new ATOM 0 HB3 SER A 387 5.599 -8.241 -3.165 1.00 0.00 H new ATOM 0 HG SER A 387 7.439 -6.761 -1.593 1.00 0.00 H new ATOM 844 N TRP A 388 3.716 -5.451 -4.032 1.00 0.00 N ATOM 845 CA TRP A 388 2.453 -5.104 -4.673 1.00 0.00 C ATOM 846 C TRP A 388 2.733 -4.295 -5.935 1.00 0.00 C ATOM 847 O TRP A 388 2.112 -4.518 -6.966 1.00 0.00 O ATOM 848 CB TRP A 388 1.508 -4.286 -3.773 1.00 0.00 C ATOM 849 CG TRP A 388 0.272 -3.916 -4.524 1.00 0.00 C ATOM 850 CD1 TRP A 388 -0.645 -4.802 -4.967 1.00 0.00 C ATOM 851 CD2 TRP A 388 -0.034 -2.659 -5.198 1.00 0.00 C ATOM 852 NE1 TRP A 388 -1.480 -4.197 -5.881 1.00 0.00 N ATOM 853 CE2 TRP A 388 -1.130 -2.893 -6.078 1.00 0.00 C ATOM 854 CE3 TRP A 388 0.573 -1.384 -5.253 1.00 0.00 C ATOM 855 CZ2 TRP A 388 -1.601 -1.944 -6.979 1.00 0.00 C ATOM 856 CZ3 TRP A 388 0.120 -0.430 -6.182 1.00 0.00 C ATOM 857 CH2 TRP A 388 -0.942 -0.717 -7.034 1.00 0.00 C ATOM 0 H TRP A 388 3.795 -5.132 -3.066 1.00 0.00 H new ATOM 0 HA TRP A 388 1.954 -6.047 -4.898 1.00 0.00 H new ATOM 0 HB2 TRP A 388 1.245 -4.865 -2.888 1.00 0.00 H new ATOM 0 HB3 TRP A 388 2.014 -3.385 -3.425 1.00 0.00 H new ATOM 0 HD1 TRP A 388 -0.714 -5.833 -4.652 1.00 0.00 H new ATOM 0 HE1 TRP A 388 -2.258 -4.663 -6.349 1.00 0.00 H new ATOM 0 HE3 TRP A 388 1.384 -1.142 -4.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 388 -2.449 -2.151 -7.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 388 0.601 0.535 -6.235 1.00 0.00 H new ATOM 0 HH2 TRP A 388 -1.262 0.025 -7.751 1.00 0.00 H new ATOM 868 N GLY A 389 3.710 -3.387 -5.869 1.00 0.00 N ATOM 869 CA GLY A 389 4.129 -2.542 -6.973 1.00 0.00 C ATOM 870 C GLY A 389 4.828 -3.292 -8.112 1.00 0.00 C ATOM 871 O GLY A 389 5.471 -2.635 -8.936 1.00 0.00 O ATOM 0 H GLY A 389 4.243 -3.220 -5.016 1.00 0.00 H new ATOM 0 HA2 GLY A 389 3.255 -2.029 -7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 389 4.803 -1.774 -6.592 1.00 0.00 H new ATOM 875 N ALA A 390 4.729 -4.625 -8.147 1.00 0.00 N ATOM 876 CA ALA A 390 5.111 -5.508 -9.236 1.00 0.00 C ATOM 877 C ALA A 390 3.941 -6.417 -9.669 1.00 0.00 C ATOM 878 O ALA A 390 4.147 -7.291 -10.511 1.00 0.00 O ATOM 879 CB ALA A 390 6.343 -6.319 -8.816 1.00 0.00 C ATOM 0 H ALA A 390 4.352 -5.145 -7.355 1.00 0.00 H new ATOM 0 HA ALA A 390 5.367 -4.908 -10.109 1.00 0.00 H new ATOM 0 HB1 ALA A 390 6.635 -6.984 -9.629 1.00 0.00 H new ATOM 0 HB2 ALA A 390 7.165 -5.640 -8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 390 6.105 -6.910 -7.931 1.00 0.00 H new ATOM 885 N GLN A 391 2.722 -6.232 -9.139 1.00 0.00 N ATOM 886 CA GLN A 391 1.521 -6.773 -9.765 1.00 0.00 C ATOM 887 C GLN A 391 1.313 -5.990 -11.074 1.00 0.00 C ATOM 888 O GLN A 391 1.563 -4.782 -11.139 1.00 0.00 O ATOM 889 CB GLN A 391 0.283 -6.640 -8.847 1.00 0.00 C ATOM 890 CG GLN A 391 0.233 -7.555 -7.616 1.00 0.00 C ATOM 891 CD GLN A 391 -1.114 -7.430 -6.882 1.00 0.00 C ATOM 892 OE1 GLN A 391 -2.009 -6.688 -7.277 1.00 0.00 O ATOM 893 NE2 GLN A 391 -1.295 -8.127 -5.772 1.00 0.00 N ATOM 0 H GLN A 391 2.549 -5.711 -8.279 1.00 0.00 H new ATOM 0 HA GLN A 391 1.645 -7.839 -9.955 1.00 0.00 H new ATOM 0 HB2 GLN A 391 0.223 -5.607 -8.505 1.00 0.00 H new ATOM 0 HB3 GLN A 391 -0.607 -6.829 -9.447 1.00 0.00 H new ATOM 0 HG2 GLN A 391 0.388 -8.589 -7.922 1.00 0.00 H new ATOM 0 HG3 GLN A 391 1.045 -7.299 -6.936 1.00 0.00 H new ATOM 0 HE21 GLN A 391 -0.559 -8.747 -5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -2.170 -8.044 -5.255 1.00 0.00 H new ATOM 902 N ASP A 392 0.875 -6.680 -12.126 1.00 0.00 N ATOM 903 CA ASP A 392 0.643 -6.092 -13.444 1.00 0.00 C ATOM 904 C ASP A 392 -0.543 -5.131 -13.386 1.00 0.00 C ATOM 905 O ASP A 392 -1.682 -5.588 -13.277 1.00 0.00 O ATOM 906 CB ASP A 392 0.441 -7.162 -14.526 1.00 0.00 C ATOM 907 CG ASP A 392 0.274 -6.527 -15.916 1.00 0.00 C ATOM 908 OD1 ASP A 392 0.719 -5.368 -16.093 1.00 0.00 O ATOM 909 OD2 ASP A 392 -0.252 -7.232 -16.806 1.00 0.00 O ATOM 0 H ASP A 392 0.668 -7.678 -12.086 1.00 0.00 H new ATOM 0 HA ASP A 392 1.535 -5.532 -13.724 1.00 0.00 H new ATOM 0 HB2 ASP A 392 1.295 -7.840 -14.534 1.00 0.00 H new ATOM 0 HB3 ASP A 392 -0.439 -7.760 -14.289 1.00 0.00 H new ATOM 914 N SER A 393 -0.240 -3.826 -13.331 1.00 0.00 N ATOM 915 CA SER A 393 -1.067 -2.606 -13.372 1.00 0.00 C ATOM 916 C SER A 393 -0.827 -1.684 -12.164 1.00 0.00 C ATOM 917 O SER A 393 -1.494 -0.658 -12.054 1.00 0.00 O ATOM 918 CB SER A 393 -2.573 -2.851 -13.607 1.00 0.00 C ATOM 919 OG SER A 393 -3.178 -3.607 -12.579 1.00 0.00 O ATOM 0 H SER A 393 0.741 -3.562 -13.243 1.00 0.00 H new ATOM 0 HA SER A 393 -0.718 -2.084 -14.263 1.00 0.00 H new ATOM 0 HB2 SER A 393 -3.082 -1.891 -13.692 1.00 0.00 H new ATOM 0 HB3 SER A 393 -2.707 -3.368 -14.557 1.00 0.00 H new ATOM 0 HG SER A 393 -2.956 -4.554 -12.696 1.00 0.00 H new ATOM 925 N ALA A 394 0.099 -2.026 -11.258 1.00 0.00 N ATOM 926 CA ALA A 394 0.194 -1.483 -9.905 1.00 0.00 C ATOM 927 C ALA A 394 0.642 -0.002 -9.775 1.00 0.00 C ATOM 928 O ALA A 394 1.654 0.306 -9.133 1.00 0.00 O ATOM 929 CB ALA A 394 1.079 -2.433 -9.086 1.00 0.00 C ATOM 0 H ALA A 394 0.826 -2.713 -11.459 1.00 0.00 H new ATOM 0 HA ALA A 394 -0.822 -1.436 -9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 394 1.171 -2.057 -8.067 1.00 0.00 H new ATOM 0 HB2 ALA A 394 0.627 -3.425 -9.067 1.00 0.00 H new ATOM 0 HB3 ALA A 394 2.067 -2.493 -9.542 1.00 0.00 H new ATOM 935 N THR A 395 -0.119 0.944 -10.327 1.00 0.00 N ATOM 936 CA THR A 395 0.109 2.380 -10.211 1.00 0.00 C ATOM 937 C THR A 395 -0.231 2.930 -8.826 1.00 0.00 C ATOM 938 O THR A 395 -0.847 2.261 -7.994 1.00 0.00 O ATOM 939 CB THR A 395 -0.646 3.115 -11.332 1.00 0.00 C ATOM 940 OG1 THR A 395 -2.008 2.765 -11.321 1.00 0.00 O ATOM 941 CG2 THR A 395 -0.072 2.801 -12.719 1.00 0.00 C ATOM 0 H THR A 395 -0.941 0.720 -10.888 1.00 0.00 H new ATOM 0 HA THR A 395 1.177 2.560 -10.331 1.00 0.00 H new ATOM 0 HB THR A 395 -0.528 4.181 -11.140 1.00 0.00 H new ATOM 0 HG1 THR A 395 -2.509 3.381 -11.895 1.00 0.00 H new ATOM 0 HG21 THR A 395 -0.637 3.342 -13.478 1.00 0.00 H new ATOM 0 HG22 THR A 395 0.973 3.107 -12.758 1.00 0.00 H new ATOM 0 HG23 THR A 395 -0.144 1.730 -12.909 1.00 0.00 H new ATOM 949 N LEU A 396 0.143 4.183 -8.549 1.00 0.00 N ATOM 950 CA LEU A 396 -0.357 4.837 -7.349 1.00 0.00 C ATOM 951 C LEU A 396 -1.881 4.940 -7.456 1.00 0.00 C ATOM 952 O LEU A 396 -2.594 4.646 -6.501 1.00 0.00 O ATOM 953 CB LEU A 396 0.328 6.196 -7.111 1.00 0.00 C ATOM 954 CG LEU A 396 0.720 6.337 -5.629 1.00 0.00 C ATOM 955 CD1 LEU A 396 1.536 7.603 -5.364 1.00 0.00 C ATOM 956 CD2 LEU A 396 -0.483 6.322 -4.680 1.00 0.00 C ATOM 0 H LEU A 396 0.771 4.746 -9.123 1.00 0.00 H new ATOM 0 HA LEU A 396 -0.111 4.242 -6.469 1.00 0.00 H new ATOM 0 HB2 LEU A 396 1.214 6.280 -7.740 1.00 0.00 H new ATOM 0 HB3 LEU A 396 -0.344 7.006 -7.396 1.00 0.00 H new ATOM 0 HG LEU A 396 1.332 5.459 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 396 1.789 7.658 -4.305 1.00 0.00 H new ATOM 0 HD12 LEU A 396 2.452 7.576 -5.955 1.00 0.00 H new ATOM 0 HD13 LEU A 396 0.950 8.479 -5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 396 -0.137 6.425 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 396 -1.149 7.150 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 396 -1.021 5.380 -4.789 1.00 0.00 H new ATOM 968 N ASP A 397 -2.378 5.220 -8.659 1.00 0.00 N ATOM 969 CA ASP A 397 -3.794 5.336 -8.988 1.00 0.00 C ATOM 970 C ASP A 397 -4.539 3.985 -8.912 1.00 0.00 C ATOM 971 O ASP A 397 -5.757 3.982 -8.719 1.00 0.00 O ATOM 972 CB ASP A 397 -4.004 6.079 -10.328 1.00 0.00 C ATOM 973 CG ASP A 397 -2.847 5.931 -11.317 1.00 0.00 C ATOM 974 OD1 ASP A 397 -1.828 6.639 -11.115 1.00 0.00 O ATOM 975 OD2 ASP A 397 -2.936 5.047 -12.195 1.00 0.00 O ATOM 0 H ASP A 397 -1.776 5.379 -9.467 1.00 0.00 H new ATOM 0 HA ASP A 397 -4.254 5.954 -8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 397 -4.916 5.709 -10.796 1.00 0.00 H new ATOM 0 HB3 ASP A 397 -4.158 7.138 -10.123 1.00 0.00 H new ATOM 980 N ALA A 398 -3.838 2.843 -8.873 1.00 0.00 N ATOM 981 CA ALA A 398 -4.432 1.531 -8.592 1.00 0.00 C ATOM 982 C ALA A 398 -4.662 1.392 -7.086 1.00 0.00 C ATOM 983 O ALA A 398 -5.778 1.107 -6.644 1.00 0.00 O ATOM 984 CB ALA A 398 -3.510 0.385 -9.053 1.00 0.00 C ATOM 0 H ALA A 398 -2.832 2.805 -9.038 1.00 0.00 H new ATOM 0 HA ALA A 398 -5.373 1.465 -9.137 1.00 0.00 H new ATOM 0 HB1 ALA A 398 -3.980 -0.573 -8.830 1.00 0.00 H new ATOM 0 HB2 ALA A 398 -3.340 0.464 -10.127 1.00 0.00 H new ATOM 0 HB3 ALA A 398 -2.557 0.452 -8.529 1.00 0.00 H new ATOM 990 N LEU A 399 -3.614 1.584 -6.279 1.00 0.00 N ATOM 991 CA LEU A 399 -3.724 1.461 -4.825 1.00 0.00 C ATOM 992 C LEU A 399 -4.694 2.499 -4.262 1.00 0.00 C ATOM 993 O LEU A 399 -5.416 2.227 -3.307 1.00 0.00 O ATOM 994 CB LEU A 399 -2.334 1.590 -4.198 1.00 0.00 C ATOM 995 CG LEU A 399 -2.334 1.367 -2.670 1.00 0.00 C ATOM 996 CD1 LEU A 399 -1.021 0.693 -2.245 1.00 0.00 C ATOM 997 CD2 LEU A 399 -2.553 2.650 -1.843 1.00 0.00 C ATOM 0 H LEU A 399 -2.680 1.825 -6.610 1.00 0.00 H new ATOM 0 HA LEU A 399 -4.128 0.480 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 399 -1.664 0.868 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 399 -1.935 2.581 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 399 -3.188 0.723 -2.459 1.00 0.00 H new ATOM 0 HD11 LEU A 399 -1.025 0.537 -1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 399 -0.925 -0.268 -2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 399 -0.180 1.331 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 399 -2.539 2.405 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 399 -1.759 3.364 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 399 -3.516 3.089 -2.101 1.00 0.00 H new ATOM 1009 N LEU A 400 -4.747 3.675 -4.881 1.00 0.00 N ATOM 1010 CA LEU A 400 -5.649 4.772 -4.580 1.00 0.00 C ATOM 1011 C LEU A 400 -7.097 4.300 -4.720 1.00 0.00 C ATOM 1012 O LEU A 400 -7.937 4.599 -3.868 1.00 0.00 O ATOM 1013 CB LEU A 400 -5.308 5.870 -5.609 1.00 0.00 C ATOM 1014 CG LEU A 400 -6.367 6.929 -5.971 1.00 0.00 C ATOM 1015 CD1 LEU A 400 -5.685 8.280 -6.239 1.00 0.00 C ATOM 1016 CD2 LEU A 400 -7.206 6.613 -7.218 1.00 0.00 C ATOM 0 H LEU A 400 -4.120 3.897 -5.654 1.00 0.00 H new ATOM 0 HA LEU A 400 -5.539 5.144 -3.561 1.00 0.00 H new ATOM 0 HB2 LEU A 400 -4.429 6.400 -5.241 1.00 0.00 H new ATOM 0 HB3 LEU A 400 -5.016 5.371 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 400 -7.036 6.945 -5.111 1.00 0.00 H new ATOM 0 HD11 LEU A 400 -6.439 9.024 -6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 400 -5.148 8.600 -5.346 1.00 0.00 H new ATOM 0 HD13 LEU A 400 -4.984 8.176 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 400 -7.921 7.417 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 400 -6.550 6.521 -8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 400 -7.742 5.676 -7.068 1.00 0.00 H new ATOM 1028 N ALA A 401 -7.396 3.545 -5.779 1.00 0.00 N ATOM 1029 CA ALA A 401 -8.720 2.997 -5.998 1.00 0.00 C ATOM 1030 C ALA A 401 -9.039 1.968 -4.923 1.00 0.00 C ATOM 1031 O ALA A 401 -10.127 2.007 -4.348 1.00 0.00 O ATOM 1032 CB ALA A 401 -8.796 2.355 -7.378 1.00 0.00 C ATOM 0 H ALA A 401 -6.722 3.301 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 401 -9.452 3.803 -5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -9.794 1.946 -7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -8.588 3.106 -8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 401 -8.060 1.554 -7.448 1.00 0.00 H new ATOM 1038 N ALA A 402 -8.097 1.057 -4.660 1.00 0.00 N ATOM 1039 CA ALA A 402 -8.233 0.033 -3.638 1.00 0.00 C ATOM 1040 C ALA A 402 -8.532 0.677 -2.282 1.00 0.00 C ATOM 1041 O ALA A 402 -9.509 0.295 -1.648 1.00 0.00 O ATOM 1042 CB ALA A 402 -6.990 -0.856 -3.618 1.00 0.00 C ATOM 0 H ALA A 402 -7.210 1.016 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 402 -9.079 -0.614 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -7.102 -1.620 -2.849 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -6.869 -1.334 -4.590 1.00 0.00 H new ATOM 0 HB3 ALA A 402 -6.112 -0.248 -3.401 1.00 0.00 H new ATOM 1048 N LEU A 403 -7.781 1.705 -1.871 1.00 0.00 N ATOM 1049 CA LEU A 403 -8.060 2.454 -0.643 1.00 0.00 C ATOM 1050 C LEU A 403 -9.483 2.992 -0.615 1.00 0.00 C ATOM 1051 O LEU A 403 -10.180 2.897 0.399 1.00 0.00 O ATOM 1052 CB LEU A 403 -7.124 3.663 -0.519 1.00 0.00 C ATOM 1053 CG LEU A 403 -5.835 3.477 0.279 1.00 0.00 C ATOM 1054 CD1 LEU A 403 -4.992 4.745 0.063 1.00 0.00 C ATOM 1055 CD2 LEU A 403 -6.163 3.281 1.766 1.00 0.00 C ATOM 0 H LEU A 403 -6.963 2.040 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 403 -7.910 1.753 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -6.854 3.984 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -7.686 4.479 -0.065 1.00 0.00 H new ATOM 0 HG LEU A 403 -5.286 2.595 -0.050 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -4.057 4.659 0.616 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -4.776 4.862 -0.999 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -5.545 5.614 0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -5.239 3.149 2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -6.693 4.157 2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -6.790 2.398 1.887 1.00 0.00 H new ATOM 1067 N ARG A 404 -9.905 3.611 -1.717 1.00 0.00 N ATOM 1068 CA ARG A 404 -11.210 4.241 -1.792 1.00 0.00 C ATOM 1069 C ARG A 404 -12.309 3.184 -1.624 1.00 0.00 C ATOM 1070 O ARG A 404 -13.372 3.537 -1.116 1.00 0.00 O ATOM 1071 CB ARG A 404 -11.299 5.099 -3.064 1.00 0.00 C ATOM 1072 CG ARG A 404 -12.593 5.926 -3.134 1.00 0.00 C ATOM 1073 CD ARG A 404 -12.484 7.064 -4.171 1.00 0.00 C ATOM 1074 NE ARG A 404 -12.781 8.392 -3.591 1.00 0.00 N ATOM 1075 CZ ARG A 404 -11.912 9.229 -2.997 1.00 0.00 C ATOM 1076 NH1 ARG A 404 -10.632 8.907 -2.874 1.00 0.00 N ATOM 1077 NH2 ARG A 404 -12.330 10.392 -2.511 1.00 0.00 N ATOM 0 H ARG A 404 -9.354 3.686 -2.572 1.00 0.00 H new ATOM 0 HA ARG A 404 -11.364 4.939 -0.969 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -10.441 5.770 -3.105 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -11.239 4.451 -3.939 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -13.428 5.275 -3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -12.810 6.347 -2.152 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -11.479 7.072 -4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -13.172 6.869 -4.993 1.00 0.00 H new ATOM 0 HE ARG A 404 -13.750 8.707 -3.648 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -10.294 8.014 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -9.985 9.552 -2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -13.313 10.653 -2.588 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -11.668 11.024 -2.061 1.00 0.00 H new ATOM 1091 N ARG A 405 -12.091 1.912 -2.001 1.00 0.00 N ATOM 1092 CA ARG A 405 -13.055 0.842 -1.767 1.00 0.00 C ATOM 1093 C ARG A 405 -13.369 0.684 -0.282 1.00 0.00 C ATOM 1094 O ARG A 405 -14.550 0.594 0.045 1.00 0.00 O ATOM 1095 CB ARG A 405 -12.575 -0.500 -2.333 1.00 0.00 C ATOM 1096 CG ARG A 405 -12.297 -0.495 -3.844 1.00 0.00 C ATOM 1097 CD ARG A 405 -12.535 -1.856 -4.512 1.00 0.00 C ATOM 1098 NE ARG A 405 -11.762 -2.951 -3.904 1.00 0.00 N ATOM 1099 CZ ARG A 405 -10.691 -3.584 -4.393 1.00 0.00 C ATOM 1100 NH1 ARG A 405 -9.996 -3.083 -5.414 1.00 0.00 N ATOM 1101 NH2 ARG A 405 -10.314 -4.734 -3.866 1.00 0.00 N ATOM 0 H ARG A 405 -11.241 1.605 -2.475 1.00 0.00 H new ATOM 0 HA ARG A 405 -13.965 1.133 -2.293 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -11.665 -0.795 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -13.326 -1.260 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -12.933 0.251 -4.320 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -11.265 -0.190 -4.015 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -13.597 -2.098 -4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -12.278 -1.783 -5.569 1.00 0.00 H new ATOM 0 HE ARG A 405 -12.086 -3.268 -2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -10.278 -2.199 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -9.182 -3.583 -5.771 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -10.839 -5.136 -3.089 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -9.497 -5.221 -4.235 1.00 0.00 H new ATOM 1115 N ILE A 406 -12.390 0.759 0.635 1.00 0.00 N ATOM 1116 CA ILE A 406 -12.698 0.654 2.065 1.00 0.00 C ATOM 1117 C ILE A 406 -13.020 2.033 2.653 1.00 0.00 C ATOM 1118 O ILE A 406 -12.905 2.232 3.862 1.00 0.00 O ATOM 1119 CB ILE A 406 -11.586 -0.089 2.840 1.00 0.00 C ATOM 1120 CG1 ILE A 406 -10.178 0.543 2.768 1.00 0.00 C ATOM 1121 CG2 ILE A 406 -11.586 -1.561 2.435 1.00 0.00 C ATOM 1122 CD1 ILE A 406 -9.176 -0.080 1.791 1.00 0.00 C ATOM 0 H ILE A 406 -11.402 0.889 0.416 1.00 0.00 H new ATOM 0 HA ILE A 406 -13.594 0.043 2.177 1.00 0.00 H new ATOM 0 HB ILE A 406 -11.835 0.008 3.897 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -10.294 1.595 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.742 0.508 3.766 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -10.803 -2.088 2.980 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -12.554 -2.004 2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -11.402 -1.644 1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -8.231 0.461 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -9.011 -1.124 2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -9.572 -0.021 0.777 1.00 0.00 H new ATOM 1134 N GLN A 407 -13.419 2.985 1.801 1.00 0.00 N ATOM 1135 CA GLN A 407 -13.677 4.392 2.077 1.00 0.00 C ATOM 1136 C GLN A 407 -12.554 5.093 2.852 1.00 0.00 C ATOM 1137 O GLN A 407 -12.776 6.177 3.388 1.00 0.00 O ATOM 1138 CB GLN A 407 -15.104 4.614 2.623 1.00 0.00 C ATOM 1139 CG GLN A 407 -15.411 3.990 3.995 1.00 0.00 C ATOM 1140 CD GLN A 407 -16.812 4.335 4.493 1.00 0.00 C ATOM 1141 OE1 GLN A 407 -16.992 4.913 5.556 1.00 0.00 O ATOM 1142 NE2 GLN A 407 -17.850 3.966 3.756 1.00 0.00 N ATOM 0 H GLN A 407 -13.582 2.765 0.818 1.00 0.00 H new ATOM 0 HA GLN A 407 -13.655 4.914 1.120 1.00 0.00 H new ATOM 0 HB2 GLN A 407 -15.283 5.687 2.687 1.00 0.00 H new ATOM 0 HB3 GLN A 407 -15.814 4.215 1.899 1.00 0.00 H new ATOM 0 HG2 GLN A 407 -15.309 2.907 3.929 1.00 0.00 H new ATOM 0 HG3 GLN A 407 -14.675 4.336 4.721 1.00 0.00 H new ATOM 0 HE21 GLN A 407 -17.700 3.484 2.870 1.00 0.00 H new ATOM 0 HE22 GLN A 407 -18.798 4.164 4.075 1.00 0.00 H new ATOM 1151 N ARG A 408 -11.330 4.545 2.862 1.00 0.00 N ATOM 1152 CA ARG A 408 -10.152 5.214 3.436 1.00 0.00 C ATOM 1153 C ARG A 408 -9.598 6.230 2.432 1.00 0.00 C ATOM 1154 O ARG A 408 -8.431 6.199 2.041 1.00 0.00 O ATOM 1155 CB ARG A 408 -9.117 4.180 3.905 1.00 0.00 C ATOM 1156 CG ARG A 408 -9.686 3.227 4.969 1.00 0.00 C ATOM 1157 CD ARG A 408 -9.900 3.846 6.358 1.00 0.00 C ATOM 1158 NE ARG A 408 -10.790 2.986 7.161 1.00 0.00 N ATOM 1159 CZ ARG A 408 -10.453 1.907 7.882 1.00 0.00 C ATOM 1160 NH1 ARG A 408 -9.190 1.603 8.160 1.00 0.00 N ATOM 1161 NH2 ARG A 408 -11.401 1.089 8.332 1.00 0.00 N ATOM 0 H ARG A 408 -11.128 3.624 2.472 1.00 0.00 H new ATOM 0 HA ARG A 408 -10.435 5.774 4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 408 -8.772 3.601 3.049 1.00 0.00 H new ATOM 0 HB3 ARG A 408 -8.248 4.697 4.311 1.00 0.00 H new ATOM 0 HG2 ARG A 408 -10.640 2.838 4.612 1.00 0.00 H new ATOM 0 HG3 ARG A 408 -9.012 2.376 5.069 1.00 0.00 H new ATOM 0 HD2 ARG A 408 -8.942 3.965 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 408 -10.334 4.841 6.259 1.00 0.00 H new ATOM 0 HE ARG A 408 -11.777 3.242 7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 408 -8.435 2.200 7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 408 -8.975 0.773 8.712 1.00 0.00 H new ATOM 0 HH21 ARG A 408 -12.381 1.283 8.128 1.00 0.00 H new ATOM 0 HH22 ARG A 408 -11.147 0.267 8.881 1.00 0.00 H new ATOM 1175 N ALA A 409 -10.493 7.089 1.946 1.00 0.00 N ATOM 1176 CA ALA A 409 -10.224 8.137 0.979 1.00 0.00 C ATOM 1177 C ALA A 409 -9.395 9.264 1.597 1.00 0.00 C ATOM 1178 O ALA A 409 -8.696 9.972 0.883 1.00 0.00 O ATOM 1179 CB ALA A 409 -11.568 8.678 0.494 1.00 0.00 C ATOM 0 H ALA A 409 -11.471 7.067 2.234 1.00 0.00 H new ATOM 0 HA ALA A 409 -9.647 7.730 0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -11.399 9.470 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -12.139 7.873 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -12.126 9.078 1.341 1.00 0.00 H new ATOM 1185 N ASP A 410 -9.401 9.385 2.921 1.00 0.00 N ATOM 1186 CA ASP A 410 -8.535 10.281 3.673 1.00 0.00 C ATOM 1187 C ASP A 410 -7.077 10.068 3.281 1.00 0.00 C ATOM 1188 O ASP A 410 -6.358 11.032 3.017 1.00 0.00 O ATOM 1189 CB ASP A 410 -8.751 10.062 5.186 1.00 0.00 C ATOM 1190 CG ASP A 410 -8.423 8.634 5.661 1.00 0.00 C ATOM 1191 OD1 ASP A 410 -9.025 7.684 5.101 1.00 0.00 O ATOM 1192 OD2 ASP A 410 -7.582 8.482 6.571 1.00 0.00 O ATOM 0 H ASP A 410 -10.029 8.845 3.516 1.00 0.00 H new ATOM 0 HA ASP A 410 -8.790 11.314 3.436 1.00 0.00 H new ATOM 0 HB2 ASP A 410 -8.132 10.769 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 410 -9.789 10.287 5.432 1.00 0.00 H new ATOM 1197 N ILE A 411 -6.650 8.811 3.164 1.00 0.00 N ATOM 1198 CA ILE A 411 -5.278 8.507 2.806 1.00 0.00 C ATOM 1199 C ILE A 411 -5.042 8.813 1.324 1.00 0.00 C ATOM 1200 O ILE A 411 -3.958 9.264 0.973 1.00 0.00 O ATOM 1201 CB ILE A 411 -4.922 7.046 3.175 1.00 0.00 C ATOM 1202 CG1 ILE A 411 -5.475 6.641 4.565 1.00 0.00 C ATOM 1203 CG2 ILE A 411 -3.396 6.910 3.166 1.00 0.00 C ATOM 1204 CD1 ILE A 411 -5.057 5.256 5.065 1.00 0.00 C ATOM 0 H ILE A 411 -7.239 7.992 3.313 1.00 0.00 H new ATOM 0 HA ILE A 411 -4.607 9.145 3.382 1.00 0.00 H new ATOM 0 HB ILE A 411 -5.381 6.381 2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 411 -5.153 7.384 5.295 1.00 0.00 H new ATOM 0 HG13 ILE A 411 -6.564 6.681 4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 411 -3.120 5.887 3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 411 -3.015 7.149 2.173 1.00 0.00 H new ATOM 0 HG23 ILE A 411 -2.965 7.596 3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 411 -5.499 5.074 6.045 1.00 0.00 H new ATOM 0 HD12 ILE A 411 -5.404 4.496 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 411 -3.971 5.210 5.142 1.00 0.00 H new ATOM 1216 N VAL A 412 -6.019 8.562 0.452 1.00 0.00 N ATOM 1217 CA VAL A 412 -5.919 8.762 -0.992 1.00 0.00 C ATOM 1218 C VAL A 412 -5.658 10.229 -1.338 1.00 0.00 C ATOM 1219 O VAL A 412 -4.700 10.558 -2.037 1.00 0.00 O ATOM 1220 CB VAL A 412 -7.238 8.309 -1.659 1.00 0.00 C ATOM 1221 CG1 VAL A 412 -7.278 8.660 -3.143 1.00 0.00 C ATOM 1222 CG2 VAL A 412 -7.469 6.813 -1.485 1.00 0.00 C ATOM 0 H VAL A 412 -6.929 8.203 0.741 1.00 0.00 H new ATOM 0 HA VAL A 412 -5.081 8.171 -1.361 1.00 0.00 H new ATOM 0 HB VAL A 412 -8.037 8.852 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 412 -8.222 8.323 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 412 -7.189 9.740 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 412 -6.451 8.168 -3.656 1.00 0.00 H new ATOM 0 HG21 VAL A 412 -8.405 6.531 -1.967 1.00 0.00 H new ATOM 0 HG22 VAL A 412 -6.646 6.262 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 412 -7.521 6.574 -0.423 1.00 0.00 H new ATOM 1232 N GLU A 413 -6.577 11.105 -0.949 1.00 0.00 N ATOM 1233 CA GLU A 413 -6.444 12.532 -1.149 1.00 0.00 C ATOM 1234 C GLU A 413 -5.249 13.187 -0.454 1.00 0.00 C ATOM 1235 O GLU A 413 -4.693 14.145 -0.990 1.00 0.00 O ATOM 1236 CB GLU A 413 -7.735 13.245 -1.513 1.00 0.00 C ATOM 1237 CG GLU A 413 -8.860 13.087 -0.510 1.00 0.00 C ATOM 1238 CD GLU A 413 -9.927 12.093 -1.032 1.00 0.00 C ATOM 1239 OE1 GLU A 413 -9.584 11.074 -1.677 1.00 0.00 O ATOM 1240 OE2 GLU A 413 -11.147 12.331 -0.887 1.00 0.00 O ATOM 0 H GLU A 413 -7.443 10.835 -0.481 1.00 0.00 H new ATOM 0 HA GLU A 413 -6.004 12.775 -2.116 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -7.524 14.307 -1.634 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -8.076 12.875 -2.480 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -8.459 12.732 0.440 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -9.322 14.056 -0.319 1.00 0.00 H new ATOM 1247 N SER A 414 -4.779 12.634 0.672 1.00 0.00 N ATOM 1248 CA SER A 414 -3.459 12.987 1.192 1.00 0.00 C ATOM 1249 C SER A 414 -2.322 12.461 0.297 1.00 0.00 C ATOM 1250 O SER A 414 -1.292 13.121 0.161 1.00 0.00 O ATOM 1251 CB SER A 414 -3.309 12.417 2.603 1.00 0.00 C ATOM 1252 OG SER A 414 -2.369 13.172 3.345 1.00 0.00 O ATOM 0 H SER A 414 -5.288 11.950 1.231 1.00 0.00 H new ATOM 0 HA SER A 414 -3.384 14.074 1.208 1.00 0.00 H new ATOM 0 HB2 SER A 414 -4.274 12.427 3.110 1.00 0.00 H new ATOM 0 HB3 SER A 414 -2.988 11.377 2.549 1.00 0.00 H new ATOM 0 HG SER A 414 -2.401 12.900 4.286 1.00 0.00 H new ATOM 1258 N LEU A 415 -2.469 11.255 -0.256 1.00 0.00 N ATOM 1259 CA LEU A 415 -1.474 10.587 -1.092 1.00 0.00 C ATOM 1260 C LEU A 415 -1.053 11.319 -2.347 1.00 0.00 C ATOM 1261 O LEU A 415 0.144 11.562 -2.515 1.00 0.00 O ATOM 1262 CB LEU A 415 -1.909 9.164 -1.555 1.00 0.00 C ATOM 1263 CG LEU A 415 -1.303 7.973 -0.826 1.00 0.00 C ATOM 1264 CD1 LEU A 415 -1.970 6.665 -1.292 1.00 0.00 C ATOM 1265 CD2 LEU A 415 0.173 7.936 -1.222 1.00 0.00 C ATOM 0 H LEU A 415 -3.314 10.699 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 415 -0.629 10.552 -0.404 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -2.993 9.098 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -1.671 9.067 -2.614 1.00 0.00 H new ATOM 0 HG LEU A 415 -1.442 8.067 0.251 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -1.527 5.822 -0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -3.038 6.706 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -1.818 6.541 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 415 0.662 7.097 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 415 0.257 7.818 -2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.654 8.866 -0.920 1.00 0.00 H new