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 Single : A 337 TYR OH : rot -80:sc= -2.53! USER MOD Single : A 338 SER OG : rot -148:sc= 1.23 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 344 LYS NZ :NH3+ -157:sc= 2.11 (180deg=1.78) USER MOD Single : A 350 LYS NZ :NH3+ -162:sc= 0.942 (180deg=0.192) USER MOD Single : A 353 ASN : amide:sc= 1.3 K(o=1.3,f=-2.5!) USER MOD Single : A 356 THR OG1 : rot 120:sc= 0.0722 USER MOD Single : A 359 HIS : no HE2:sc= 0.226 K(o=0.23,f=-0.92) USER MOD Single : A 366 TYR OH : rot 0:sc= 0 USER MOD Single : A 367 GLN : amide:sc= 1.08 K(o=1.1,f=-0.02) USER MOD Single : A 370 HIS : no HD1:sc= -0.0281 X(o=-0.028,f=0) USER MOD Single : A 373 SER OG : rot -34:sc= 0.524 USER MOD Single : A 375 THR OG1 : rot -32:sc= 0.594 USER MOD Single : A 376 HIS : no HE2:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 379 CYS SG : rot 3:sc= 0.748 USER MOD Single : A 387 SER OG : rot 180:sc= 0 USER MOD Single : A 391 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.11) USER MOD Single : A 393 SER OG : rot -76:sc= 0.941 USER MOD Single : A 395 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 407 GLN : amide:sc= 1.04 K(o=1,f=-8.9!) USER MOD Single : A 414 SER OG : rot 154:sc= -0.119 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 336 2.583 3.423 -12.240 1.00 0.00 N ATOM 25 CA LEU A 336 2.803 2.437 -11.182 1.00 0.00 C ATOM 26 C LEU A 336 3.028 3.126 -9.843 1.00 0.00 C ATOM 27 O LEU A 336 3.264 4.336 -9.799 1.00 0.00 O ATOM 28 CB LEU A 336 3.985 1.548 -11.593 1.00 0.00 C ATOM 29 CG LEU A 336 3.570 0.302 -12.404 1.00 0.00 C ATOM 30 CD1 LEU A 336 3.762 -0.948 -11.540 1.00 0.00 C ATOM 31 CD2 LEU A 336 2.145 0.271 -12.988 1.00 0.00 C ATOM 0 HA LEU A 336 1.922 1.808 -11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 336 4.685 2.139 -12.184 1.00 0.00 H new ATOM 0 HB3 LEU A 336 4.516 1.227 -10.697 1.00 0.00 H new ATOM 0 HG LEU A 336 4.222 0.338 -13.277 1.00 0.00 H new ATOM 0 HD11 LEU A 336 3.470 -1.831 -12.108 1.00 0.00 H new ATOM 0 HD12 LEU A 336 4.809 -1.033 -11.250 1.00 0.00 H new ATOM 0 HD13 LEU A 336 3.143 -0.871 -10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 336 1.995 -0.662 -13.531 1.00 0.00 H new ATOM 0 HD22 LEU A 336 1.418 0.341 -12.178 1.00 0.00 H new ATOM 0 HD23 LEU A 336 2.012 1.112 -13.668 1.00 0.00 H new ATOM 43 N TYR A 337 3.189 2.328 -8.788 1.00 0.00 N ATOM 44 CA TYR A 337 3.656 2.845 -7.512 1.00 0.00 C ATOM 45 C TYR A 337 5.160 2.631 -7.383 1.00 0.00 C ATOM 46 O TYR A 337 5.868 3.528 -6.941 1.00 0.00 O ATOM 47 CB TYR A 337 2.852 2.313 -6.318 1.00 0.00 C ATOM 48 CG TYR A 337 2.837 3.221 -5.087 1.00 0.00 C ATOM 49 CD1 TYR A 337 3.567 4.430 -5.021 1.00 0.00 C ATOM 50 CD2 TYR A 337 1.978 2.900 -4.020 1.00 0.00 C ATOM 51 CE1 TYR A 337 3.480 5.265 -3.904 1.00 0.00 C ATOM 52 CE2 TYR A 337 1.878 3.739 -2.890 1.00 0.00 C ATOM 53 CZ TYR A 337 2.640 4.927 -2.832 1.00 0.00 C ATOM 54 OH TYR A 337 2.823 5.606 -1.687 1.00 0.00 O ATOM 0 H TYR A 337 3.002 1.325 -8.796 1.00 0.00 H new ATOM 0 HA TYR A 337 3.476 3.920 -7.493 1.00 0.00 H new ATOM 0 HB2 TYR A 337 1.824 2.145 -6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 337 3.258 1.343 -6.030 1.00 0.00 H new ATOM 0 HD1 TYR A 337 4.202 4.713 -5.847 1.00 0.00 H new ATOM 0 HD2 TYR A 337 1.386 1.998 -4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 337 4.062 6.174 -3.866 1.00 0.00 H new ATOM 0 HE2 TYR A 337 1.222 3.474 -2.074 1.00 0.00 H new ATOM 0 HH TYR A 337 3.587 5.230 -1.202 1.00 0.00 H new ATOM 64 N SER A 338 5.684 1.487 -7.824 1.00 0.00 N ATOM 65 CA SER A 338 7.120 1.214 -7.832 1.00 0.00 C ATOM 66 C SER A 338 7.923 2.228 -8.658 1.00 0.00 C ATOM 67 O SER A 338 9.106 2.424 -8.396 1.00 0.00 O ATOM 68 CB SER A 338 7.313 -0.232 -8.289 1.00 0.00 C ATOM 69 OG SER A 338 6.738 -0.403 -9.569 1.00 0.00 O ATOM 0 H SER A 338 5.120 0.719 -8.188 1.00 0.00 H new ATOM 0 HA SER A 338 7.523 1.333 -6.826 1.00 0.00 H new ATOM 0 HB2 SER A 338 8.375 -0.476 -8.320 1.00 0.00 H new ATOM 0 HB3 SER A 338 6.850 -0.915 -7.576 1.00 0.00 H new ATOM 0 HG SER A 338 6.399 -1.318 -9.656 1.00 0.00 H new ATOM 75 N SER A 339 7.260 2.952 -9.567 1.00 0.00 N ATOM 76 CA SER A 339 7.828 4.085 -10.272 1.00 0.00 C ATOM 77 C SER A 339 8.359 5.146 -9.297 1.00 0.00 C ATOM 78 O SER A 339 9.354 5.789 -9.612 1.00 0.00 O ATOM 79 CB SER A 339 6.756 4.669 -11.204 1.00 0.00 C ATOM 80 OG SER A 339 7.312 5.545 -12.164 1.00 0.00 O ATOM 0 H SER A 339 6.295 2.755 -9.832 1.00 0.00 H new ATOM 0 HA SER A 339 8.682 3.752 -10.862 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.235 3.857 -11.712 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.013 5.203 -10.612 1.00 0.00 H new ATOM 0 HG SER A 339 6.600 5.895 -12.739 1.00 0.00 H new ATOM 86 N LEU A 340 7.642 5.465 -8.212 1.00 0.00 N ATOM 87 CA LEU A 340 8.165 6.101 -7.001 1.00 0.00 C ATOM 88 C LEU A 340 9.226 5.253 -6.268 1.00 0.00 C ATOM 89 O LEU A 340 8.825 4.324 -5.560 1.00 0.00 O ATOM 90 CB LEU A 340 7.003 6.518 -6.064 1.00 0.00 C ATOM 91 CG LEU A 340 6.705 8.027 -6.090 1.00 0.00 C ATOM 92 CD1 LEU A 340 5.400 8.315 -5.340 1.00 0.00 C ATOM 93 CD2 LEU A 340 7.835 8.828 -5.429 1.00 0.00 C ATOM 0 H LEU A 340 6.641 5.278 -8.154 1.00 0.00 H new ATOM 0 HA LEU A 340 8.693 7.000 -7.319 1.00 0.00 H new ATOM 0 HB2 LEU A 340 6.103 5.973 -6.349 1.00 0.00 H new ATOM 0 HB3 LEU A 340 7.245 6.221 -5.044 1.00 0.00 H new ATOM 0 HG LEU A 340 6.618 8.329 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 340 5.196 9.385 -5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 340 4.580 7.779 -5.818 1.00 0.00 H new ATOM 0 HD13 LEU A 340 5.495 7.986 -4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 340 7.596 9.891 -5.463 1.00 0.00 H new ATOM 0 HD22 LEU A 340 7.945 8.514 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 340 8.768 8.649 -5.963 1.00 0.00 H new ATOM 152 N LYS A 344 8.807 9.680 -0.327 1.00 0.00 N ATOM 153 CA LYS A 344 7.355 9.575 -0.252 1.00 0.00 C ATOM 154 C LYS A 344 6.947 8.306 0.505 1.00 0.00 C ATOM 155 O LYS A 344 5.990 8.367 1.263 1.00 0.00 O ATOM 156 CB LYS A 344 6.719 9.701 -1.648 1.00 0.00 C ATOM 157 CG LYS A 344 5.201 9.958 -1.619 1.00 0.00 C ATOM 158 CD LYS A 344 4.797 11.334 -1.055 1.00 0.00 C ATOM 159 CE LYS A 344 3.275 11.477 -1.154 1.00 0.00 C ATOM 160 NZ LYS A 344 2.771 12.785 -0.697 1.00 0.00 N ATOM 0 HA LYS A 344 6.962 10.412 0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 344 7.205 10.514 -2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 344 6.913 8.787 -2.209 1.00 0.00 H new ATOM 0 HG2 LYS A 344 4.810 9.866 -2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 344 4.725 9.180 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 344 5.119 11.427 -0.018 1.00 0.00 H new ATOM 0 HD3 LYS A 344 5.289 12.131 -1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 344 2.971 11.322 -2.189 1.00 0.00 H new ATOM 0 HE3 LYS A 344 2.806 10.690 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 1.772 12.695 -0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 3.329 13.106 0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 2.856 13.478 -1.468 1.00 0.00 H new ATOM 174 N ARG A 345 7.638 7.164 0.342 1.00 0.00 N ATOM 175 CA ARG A 345 7.334 5.950 1.102 1.00 0.00 C ATOM 176 C ARG A 345 7.320 6.198 2.609 1.00 0.00 C ATOM 177 O ARG A 345 6.481 5.620 3.286 1.00 0.00 O ATOM 178 CB ARG A 345 8.386 4.869 0.799 1.00 0.00 C ATOM 179 CG ARG A 345 8.087 4.047 -0.455 1.00 0.00 C ATOM 180 CD ARG A 345 8.041 4.853 -1.757 1.00 0.00 C ATOM 181 NE ARG A 345 7.863 3.998 -2.934 1.00 0.00 N ATOM 182 CZ ARG A 345 6.762 3.344 -3.303 1.00 0.00 C ATOM 183 NH1 ARG A 345 5.635 3.467 -2.610 1.00 0.00 N ATOM 184 NH2 ARG A 345 6.807 2.577 -4.381 1.00 0.00 N ATOM 0 H ARG A 345 8.413 7.062 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 345 6.340 5.624 0.797 1.00 0.00 H new ATOM 0 HB2 ARG A 345 9.360 5.345 0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 345 8.458 4.196 1.654 1.00 0.00 H new ATOM 0 HG2 ARG A 345 8.845 3.270 -0.552 1.00 0.00 H new ATOM 0 HG3 ARG A 345 7.130 3.543 -0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 345 7.225 5.573 -1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 345 8.964 5.424 -1.861 1.00 0.00 H new ATOM 0 HE ARG A 345 8.676 3.891 -3.541 1.00 0.00 H new ATOM 0 HH11 ARG A 345 5.606 4.067 -1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 345 4.799 2.961 -2.902 1.00 0.00 H new ATOM 0 HH21 ARG A 345 7.674 2.495 -4.913 1.00 0.00 H new ATOM 0 HH22 ARG A 345 5.975 2.068 -4.680 1.00 0.00 H new ATOM 198 N GLU A 346 8.180 7.074 3.112 1.00 0.00 N ATOM 199 CA GLU A 346 8.324 7.357 4.534 1.00 0.00 C ATOM 200 C GLU A 346 7.090 8.115 5.027 1.00 0.00 C ATOM 201 O GLU A 346 6.516 7.799 6.068 1.00 0.00 O ATOM 202 CB GLU A 346 9.614 8.160 4.777 1.00 0.00 C ATOM 203 CG GLU A 346 10.838 7.607 4.025 1.00 0.00 C ATOM 204 CD GLU A 346 11.236 6.207 4.487 1.00 0.00 C ATOM 205 OE1 GLU A 346 10.667 5.218 3.976 1.00 0.00 O ATOM 206 OE2 GLU A 346 12.093 6.108 5.389 1.00 0.00 O ATOM 0 H GLU A 346 8.812 7.621 2.528 1.00 0.00 H new ATOM 0 HA GLU A 346 8.400 6.426 5.095 1.00 0.00 H new ATOM 0 HB2 GLU A 346 9.450 9.194 4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 346 9.829 8.170 5.845 1.00 0.00 H new ATOM 0 HG2 GLU A 346 10.622 7.584 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 346 11.681 8.284 4.165 1.00 0.00 H new ATOM 213 N GLU A 347 6.630 9.089 4.236 1.00 0.00 N ATOM 214 CA GLU A 347 5.340 9.723 4.453 1.00 0.00 C ATOM 215 C GLU A 347 4.203 8.702 4.368 1.00 0.00 C ATOM 216 O GLU A 347 3.204 8.816 5.073 1.00 0.00 O ATOM 217 CB GLU A 347 5.149 10.879 3.457 1.00 0.00 C ATOM 218 CG GLU A 347 3.697 11.369 3.489 1.00 0.00 C ATOM 219 CD GLU A 347 3.528 12.817 3.073 1.00 0.00 C ATOM 220 OE1 GLU A 347 3.640 13.093 1.859 1.00 0.00 O ATOM 221 OE2 GLU A 347 3.214 13.596 4.003 1.00 0.00 O ATOM 0 H GLU A 347 7.143 9.454 3.433 1.00 0.00 H new ATOM 0 HA GLU A 347 5.316 10.138 5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 347 5.823 11.699 3.706 1.00 0.00 H new ATOM 0 HB3 GLU A 347 5.407 10.549 2.451 1.00 0.00 H new ATOM 0 HG2 GLU A 347 3.097 10.740 2.831 1.00 0.00 H new ATOM 0 HG3 GLU A 347 3.303 11.243 4.498 1.00 0.00 H new ATOM 228 N VAL A 348 4.306 7.707 3.503 1.00 0.00 N ATOM 229 CA VAL A 348 3.206 6.791 3.284 1.00 0.00 C ATOM 230 C VAL A 348 3.151 5.754 4.403 1.00 0.00 C ATOM 231 O VAL A 348 2.051 5.342 4.743 1.00 0.00 O ATOM 232 CB VAL A 348 3.258 6.252 1.857 1.00 0.00 C ATOM 233 CG1 VAL A 348 2.137 5.234 1.605 1.00 0.00 C ATOM 234 CG2 VAL A 348 3.064 7.435 0.881 1.00 0.00 C ATOM 0 H VAL A 348 5.138 7.516 2.944 1.00 0.00 H new ATOM 0 HA VAL A 348 2.244 7.299 3.348 1.00 0.00 H new ATOM 0 HB VAL A 348 4.219 5.760 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 348 2.201 4.869 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 348 2.243 4.398 2.296 1.00 0.00 H new ATOM 0 HG13 VAL A 348 1.170 5.712 1.760 1.00 0.00 H new ATOM 0 HG21 VAL A 348 3.098 7.069 -0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 348 2.098 7.905 1.067 1.00 0.00 H new ATOM 0 HG23 VAL A 348 3.859 8.166 1.032 1.00 0.00 H new ATOM 244 N GLU A 349 4.266 5.394 5.039 1.00 0.00 N ATOM 245 CA GLU A 349 4.235 4.655 6.306 1.00 0.00 C ATOM 246 C GLU A 349 3.426 5.427 7.361 1.00 0.00 C ATOM 247 O GLU A 349 2.655 4.838 8.120 1.00 0.00 O ATOM 248 CB GLU A 349 5.646 4.349 6.819 1.00 0.00 C ATOM 249 CG GLU A 349 6.427 3.429 5.866 1.00 0.00 C ATOM 250 CD GLU A 349 6.973 2.174 6.557 1.00 0.00 C ATOM 251 OE1 GLU A 349 7.708 2.322 7.554 1.00 0.00 O ATOM 252 OE2 GLU A 349 6.726 1.053 6.058 1.00 0.00 O ATOM 0 H GLU A 349 5.205 5.602 4.698 1.00 0.00 H new ATOM 0 HA GLU A 349 3.743 3.701 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 349 6.193 5.283 6.949 1.00 0.00 H new ATOM 0 HB3 GLU A 349 5.579 3.879 7.800 1.00 0.00 H new ATOM 0 HG2 GLU A 349 5.776 3.130 5.044 1.00 0.00 H new ATOM 0 HG3 GLU A 349 7.256 3.987 5.430 1.00 0.00 H new ATOM 259 N LYS A 350 3.519 6.765 7.364 1.00 0.00 N ATOM 260 CA LYS A 350 2.664 7.609 8.199 1.00 0.00 C ATOM 261 C LYS A 350 1.207 7.551 7.706 1.00 0.00 C ATOM 262 O LYS A 350 0.312 7.543 8.551 1.00 0.00 O ATOM 263 CB LYS A 350 3.276 9.033 8.247 1.00 0.00 C ATOM 264 CG LYS A 350 2.416 10.161 8.848 1.00 0.00 C ATOM 265 CD LYS A 350 2.527 11.501 8.081 1.00 0.00 C ATOM 266 CE LYS A 350 1.728 11.465 6.764 1.00 0.00 C ATOM 267 NZ LYS A 350 1.686 12.760 6.030 1.00 0.00 N ATOM 0 H LYS A 350 4.184 7.285 6.792 1.00 0.00 H new ATOM 0 HA LYS A 350 2.625 7.246 9.226 1.00 0.00 H new ATOM 0 HB2 LYS A 350 4.205 8.980 8.815 1.00 0.00 H new ATOM 0 HB3 LYS A 350 3.541 9.319 7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 350 1.373 9.844 8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 350 2.713 10.320 9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 350 2.159 12.313 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 350 3.574 11.713 7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 350 2.161 10.706 6.112 1.00 0.00 H new ATOM 0 HE3 LYS A 350 0.707 11.152 6.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 0.905 12.745 5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 1.538 13.537 6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 2.586 12.904 5.528 1.00 0.00 H new ATOM 281 N LEU A 351 0.939 7.539 6.395 1.00 0.00 N ATOM 282 CA LEU A 351 -0.423 7.618 5.851 1.00 0.00 C ATOM 283 C LEU A 351 -1.172 6.286 5.861 1.00 0.00 C ATOM 284 O LEU A 351 -2.230 6.188 6.481 1.00 0.00 O ATOM 285 CB LEU A 351 -0.418 8.131 4.403 1.00 0.00 C ATOM 286 CG LEU A 351 0.037 9.575 4.199 1.00 0.00 C ATOM 287 CD1 LEU A 351 0.182 9.854 2.697 1.00 0.00 C ATOM 288 CD2 LEU A 351 -0.952 10.530 4.869 1.00 0.00 C ATOM 0 H LEU A 351 1.662 7.474 5.679 1.00 0.00 H new ATOM 0 HA LEU A 351 -0.940 8.312 6.514 1.00 0.00 H new ATOM 0 HB2 LEU A 351 0.228 7.482 3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 351 -1.426 8.030 4.000 1.00 0.00 H new ATOM 0 HG LEU A 351 1.010 9.734 4.665 1.00 0.00 H new ATOM 0 HD11 LEU A 351 0.507 10.884 2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 351 0.921 9.175 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 351 -0.778 9.701 2.204 1.00 0.00 H new ATOM 0 HD21 LEU A 351 -0.622 11.558 4.720 1.00 0.00 H new ATOM 0 HD22 LEU A 351 -1.940 10.398 4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 351 -0.999 10.315 5.937 1.00 0.00 H new ATOM 300 N LEU A 352 -0.661 5.274 5.149 1.00 0.00 N ATOM 301 CA LEU A 352 -1.131 3.889 5.106 1.00 0.00 C ATOM 302 C LEU A 352 -0.739 3.267 6.452 1.00 0.00 C ATOM 303 O LEU A 352 0.089 2.376 6.510 1.00 0.00 O ATOM 304 CB LEU A 352 -0.591 3.139 3.850 1.00 0.00 C ATOM 305 CG LEU A 352 -1.189 3.579 2.481 1.00 0.00 C ATOM 306 CD1 LEU A 352 -0.579 2.876 1.253 1.00 0.00 C ATOM 307 CD2 LEU A 352 -2.691 3.303 2.383 1.00 0.00 C ATOM 0 H LEU A 352 0.149 5.414 4.546 1.00 0.00 H new ATOM 0 HA LEU A 352 -2.212 3.819 4.987 1.00 0.00 H new ATOM 0 HB2 LEU A 352 0.490 3.270 3.810 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -0.778 2.073 3.980 1.00 0.00 H new ATOM 0 HG LEU A 352 -0.955 4.643 2.460 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -1.058 3.247 0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 352 0.490 3.083 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -0.738 1.801 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -3.058 3.628 1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -2.873 2.235 2.501 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -3.213 3.849 3.169 1.00 0.00 H new ATOM 319 N ASN A 353 -1.264 3.814 7.551 1.00 0.00 N ATOM 320 CA ASN A 353 -0.741 3.611 8.898 1.00 0.00 C ATOM 321 C ASN A 353 -0.923 2.160 9.373 1.00 0.00 C ATOM 322 O ASN A 353 -1.649 1.379 8.740 1.00 0.00 O ATOM 323 CB ASN A 353 -1.398 4.624 9.850 1.00 0.00 C ATOM 324 CG ASN A 353 -0.485 4.928 11.029 1.00 0.00 C ATOM 325 OD1 ASN A 353 -0.449 4.192 12.004 1.00 0.00 O ATOM 326 ND2 ASN A 353 0.290 5.994 10.954 1.00 0.00 N ATOM 0 H ASN A 353 -2.082 4.423 7.525 1.00 0.00 H new ATOM 0 HA ASN A 353 0.335 3.784 8.892 1.00 0.00 H new ATOM 0 HB2 ASN A 353 -1.622 5.544 9.311 1.00 0.00 H new ATOM 0 HB3 ASN A 353 -2.347 4.228 10.212 1.00 0.00 H new ATOM 0 HD21 ASN A 353 0.931 6.213 11.717 1.00 0.00 H new ATOM 0 HD22 ASN A 353 0.248 6.598 10.133 1.00 0.00 H new ATOM 333 N GLY A 354 -0.286 1.802 10.496 1.00 0.00 N ATOM 334 CA GLY A 354 -0.117 0.449 11.013 1.00 0.00 C ATOM 335 C GLY A 354 -1.405 -0.167 11.553 1.00 0.00 C ATOM 336 O GLY A 354 -1.500 -0.492 12.731 1.00 0.00 O ATOM 0 H GLY A 354 0.150 2.498 11.101 1.00 0.00 H new ATOM 0 HA2 GLY A 354 0.275 -0.187 10.219 1.00 0.00 H new ATOM 0 HA3 GLY A 354 0.629 0.464 11.807 1.00 0.00 H new ATOM 340 N ASP A 355 -2.338 -0.441 10.648 1.00 0.00 N ATOM 341 CA ASP A 355 -3.597 -1.159 10.800 1.00 0.00 C ATOM 342 C ASP A 355 -4.360 -1.046 9.489 1.00 0.00 C ATOM 343 O ASP A 355 -4.694 -2.050 8.861 1.00 0.00 O ATOM 344 CB ASP A 355 -4.487 -0.625 11.934 1.00 0.00 C ATOM 345 CG ASP A 355 -5.865 -1.273 11.804 1.00 0.00 C ATOM 346 OD1 ASP A 355 -5.988 -2.449 12.224 1.00 0.00 O ATOM 347 OD2 ASP A 355 -6.731 -0.647 11.155 1.00 0.00 O ATOM 0 H ASP A 355 -2.216 -0.131 9.684 1.00 0.00 H new ATOM 0 HA ASP A 355 -3.353 -2.190 11.058 1.00 0.00 H new ATOM 0 HB2 ASP A 355 -4.047 -0.858 12.904 1.00 0.00 H new ATOM 0 HB3 ASP A 355 -4.570 0.460 11.873 1.00 0.00 H new ATOM 352 N THR A 356 -4.617 0.188 9.054 1.00 0.00 N ATOM 353 CA THR A 356 -5.397 0.441 7.857 1.00 0.00 C ATOM 354 C THR A 356 -4.713 -0.188 6.644 1.00 0.00 C ATOM 355 O THR A 356 -5.407 -0.705 5.767 1.00 0.00 O ATOM 356 CB THR A 356 -5.597 1.952 7.703 1.00 0.00 C ATOM 357 OG1 THR A 356 -6.186 2.470 8.889 1.00 0.00 O ATOM 358 CG2 THR A 356 -6.494 2.284 6.506 1.00 0.00 C ATOM 0 H THR A 356 -4.289 1.032 9.524 1.00 0.00 H new ATOM 0 HA THR A 356 -6.381 -0.020 7.937 1.00 0.00 H new ATOM 0 HB THR A 356 -4.622 2.407 7.531 1.00 0.00 H new ATOM 0 HG1 THR A 356 -5.590 3.139 9.285 1.00 0.00 H new ATOM 0 HG21 THR A 356 -6.613 3.365 6.429 1.00 0.00 H new ATOM 0 HG22 THR A 356 -6.037 1.903 5.592 1.00 0.00 H new ATOM 0 HG23 THR A 356 -7.471 1.821 6.644 1.00 0.00 H new ATOM 366 N TRP A 357 -3.375 -0.168 6.594 1.00 0.00 N ATOM 367 CA TRP A 357 -2.643 -0.816 5.521 1.00 0.00 C ATOM 368 C TRP A 357 -3.101 -2.274 5.348 1.00 0.00 C ATOM 369 O TRP A 357 -3.380 -2.644 4.222 1.00 0.00 O ATOM 370 CB TRP A 357 -1.127 -0.664 5.694 1.00 0.00 C ATOM 371 CG TRP A 357 -0.465 -1.776 6.453 1.00 0.00 C ATOM 372 CD1 TRP A 357 -0.176 -1.794 7.771 1.00 0.00 C ATOM 373 CD2 TRP A 357 -0.122 -3.103 5.955 1.00 0.00 C ATOM 374 NE1 TRP A 357 0.278 -3.053 8.129 1.00 0.00 N ATOM 375 CE2 TRP A 357 0.281 -3.913 7.048 1.00 0.00 C ATOM 376 CE3 TRP A 357 -0.208 -3.737 4.701 1.00 0.00 C ATOM 377 CZ2 TRP A 357 0.544 -5.278 6.867 1.00 0.00 C ATOM 378 CZ3 TRP A 357 0.148 -5.083 4.512 1.00 0.00 C ATOM 379 CH2 TRP A 357 0.507 -5.857 5.610 1.00 0.00 C ATOM 0 H TRP A 357 -2.786 0.292 7.288 1.00 0.00 H new ATOM 0 HA TRP A 357 -2.879 -0.307 4.586 1.00 0.00 H new ATOM 0 HB2 TRP A 357 -0.668 -0.593 4.708 1.00 0.00 H new ATOM 0 HB3 TRP A 357 -0.927 0.277 6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 357 -0.282 -0.956 8.444 1.00 0.00 H new ATOM 0 HE1 TRP A 357 0.572 -3.312 9.071 1.00 0.00 H new ATOM 0 HE3 TRP A 357 -0.560 -3.168 3.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 357 0.780 -5.890 7.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 357 0.143 -5.513 3.521 1.00 0.00 H new ATOM 0 HH2 TRP A 357 0.755 -6.901 5.483 1.00 0.00 H new ATOM 390 N ARG A 358 -3.164 -3.108 6.404 1.00 0.00 N ATOM 391 CA ARG A 358 -3.695 -4.484 6.357 1.00 0.00 C ATOM 392 C ARG A 358 -4.967 -4.597 5.522 1.00 0.00 C ATOM 393 O ARG A 358 -5.072 -5.449 4.645 1.00 0.00 O ATOM 394 CB ARG A 358 -3.917 -5.106 7.746 1.00 0.00 C ATOM 395 CG ARG A 358 -2.623 -5.396 8.520 1.00 0.00 C ATOM 396 CD ARG A 358 -2.867 -6.261 9.773 1.00 0.00 C ATOM 397 NE ARG A 358 -2.912 -5.485 11.029 1.00 0.00 N ATOM 398 CZ ARG A 358 -3.935 -4.772 11.523 1.00 0.00 C ATOM 399 NH1 ARG A 358 -5.103 -4.689 10.899 1.00 0.00 N ATOM 400 NH2 ARG A 358 -3.798 -4.095 12.657 1.00 0.00 N ATOM 0 H ARG A 358 -2.840 -2.838 7.333 1.00 0.00 H new ATOM 0 HA ARG A 358 -2.911 -5.060 5.865 1.00 0.00 H new ATOM 0 HB2 ARG A 358 -4.538 -4.434 8.338 1.00 0.00 H new ATOM 0 HB3 ARG A 358 -4.474 -6.036 7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 358 -1.917 -5.904 7.863 1.00 0.00 H new ATOM 0 HG3 ARG A 358 -2.162 -4.454 8.817 1.00 0.00 H new ATOM 0 HD2 ARG A 358 -3.807 -6.799 9.655 1.00 0.00 H new ATOM 0 HD3 ARG A 358 -2.078 -7.010 9.846 1.00 0.00 H new ATOM 0 HE ARG A 358 -2.060 -5.492 11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 358 -5.244 -5.177 10.014 1.00 0.00 H new ATOM 0 HH12 ARG A 358 -5.859 -4.137 11.304 1.00 0.00 H new ATOM 0 HH21 ARG A 358 -2.910 -4.115 13.159 1.00 0.00 H new ATOM 0 HH22 ARG A 358 -4.581 -3.555 13.026 1.00 0.00 H new ATOM 414 N HIS A 359 -5.954 -3.769 5.860 1.00 0.00 N ATOM 415 CA HIS A 359 -7.265 -3.775 5.231 1.00 0.00 C ATOM 416 C HIS A 359 -7.118 -3.502 3.732 1.00 0.00 C ATOM 417 O HIS A 359 -7.668 -4.230 2.909 1.00 0.00 O ATOM 418 CB HIS A 359 -8.166 -2.746 5.929 1.00 0.00 C ATOM 419 CG HIS A 359 -8.401 -3.040 7.395 1.00 0.00 C ATOM 420 ND1 HIS A 359 -7.647 -2.609 8.475 1.00 0.00 N ATOM 421 CD2 HIS A 359 -9.448 -3.769 7.891 1.00 0.00 C ATOM 422 CE1 HIS A 359 -8.261 -3.039 9.592 1.00 0.00 C ATOM 423 NE2 HIS A 359 -9.346 -3.768 9.283 1.00 0.00 N ATOM 0 H HIS A 359 -5.859 -3.065 6.592 1.00 0.00 H new ATOM 0 HA HIS A 359 -7.736 -4.752 5.337 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -7.716 -1.758 5.833 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -9.127 -2.710 5.416 1.00 0.00 H new ATOM 0 HD1 HIS A 359 -6.785 -2.066 8.431 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -10.216 -4.258 7.309 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -7.928 -2.827 10.597 1.00 0.00 H new ATOM 431 N LEU A 360 -6.338 -2.479 3.378 1.00 0.00 N ATOM 432 CA LEU A 360 -6.006 -2.167 1.998 1.00 0.00 C ATOM 433 C LEU A 360 -5.257 -3.318 1.318 1.00 0.00 C ATOM 434 O LEU A 360 -5.549 -3.630 0.174 1.00 0.00 O ATOM 435 CB LEU A 360 -5.179 -0.876 1.992 1.00 0.00 C ATOM 436 CG LEU A 360 -4.495 -0.596 0.647 1.00 0.00 C ATOM 437 CD1 LEU A 360 -5.525 -0.274 -0.427 1.00 0.00 C ATOM 438 CD2 LEU A 360 -3.556 0.581 0.825 1.00 0.00 C ATOM 0 H LEU A 360 -5.917 -1.841 4.053 1.00 0.00 H new ATOM 0 HA LEU A 360 -6.921 -2.025 1.423 1.00 0.00 H new ATOM 0 HB2 LEU A 360 -5.828 -0.037 2.243 1.00 0.00 H new ATOM 0 HB3 LEU A 360 -4.420 -0.936 2.772 1.00 0.00 H new ATOM 0 HG LEU A 360 -3.943 -1.481 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 360 -5.017 -0.079 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 360 -6.202 -1.120 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 360 -6.094 0.608 -0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 360 -3.059 0.796 -0.121 1.00 0.00 H new ATOM 0 HD22 LEU A 360 -4.124 1.455 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 360 -2.808 0.339 1.580 1.00 0.00 H new ATOM 450 N ALA A 361 -4.259 -3.894 1.979 1.00 0.00 N ATOM 451 CA ALA A 361 -3.443 -5.001 1.514 1.00 0.00 C ATOM 452 C ALA A 361 -4.328 -6.156 1.031 1.00 0.00 C ATOM 453 O ALA A 361 -4.119 -6.646 -0.075 1.00 0.00 O ATOM 454 CB ALA A 361 -2.379 -5.337 2.574 1.00 0.00 C ATOM 0 H ALA A 361 -3.985 -3.579 2.909 1.00 0.00 H new ATOM 0 HA ALA A 361 -2.870 -4.733 0.626 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -1.767 -6.168 2.224 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -1.746 -4.466 2.743 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -2.870 -5.615 3.507 1.00 0.00 H new ATOM 460 N GLY A 362 -5.330 -6.562 1.819 1.00 0.00 N ATOM 461 CA GLY A 362 -6.299 -7.565 1.386 1.00 0.00 C ATOM 462 C GLY A 362 -7.048 -7.110 0.132 1.00 0.00 C ATOM 463 O GLY A 362 -7.192 -7.858 -0.836 1.00 0.00 O ATOM 0 H GLY A 362 -5.488 -6.208 2.762 1.00 0.00 H new ATOM 0 HA2 GLY A 362 -5.786 -8.506 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 362 -7.011 -7.756 2.189 1.00 0.00 H new ATOM 467 N GLU A 363 -7.503 -5.855 0.129 1.00 0.00 N ATOM 468 CA GLU A 363 -8.219 -5.258 -0.996 1.00 0.00 C ATOM 469 C GLU A 363 -7.331 -5.121 -2.254 1.00 0.00 C ATOM 470 O GLU A 363 -7.858 -4.950 -3.359 1.00 0.00 O ATOM 471 CB GLU A 363 -8.823 -3.902 -0.569 1.00 0.00 C ATOM 472 CG GLU A 363 -10.034 -4.018 0.377 1.00 0.00 C ATOM 473 CD GLU A 363 -11.322 -4.338 -0.388 1.00 0.00 C ATOM 474 OE1 GLU A 363 -11.437 -5.450 -0.949 1.00 0.00 O ATOM 475 OE2 GLU A 363 -12.152 -3.424 -0.581 1.00 0.00 O ATOM 0 H GLU A 363 -7.382 -5.219 0.917 1.00 0.00 H new ATOM 0 HA GLU A 363 -9.030 -5.930 -1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 363 -8.049 -3.311 -0.079 1.00 0.00 H new ATOM 0 HB3 GLU A 363 -9.125 -3.355 -1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 363 -9.846 -4.798 1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 363 -10.159 -3.084 0.925 1.00 0.00 H new ATOM 482 N LEU A 364 -6.003 -5.238 -2.134 1.00 0.00 N ATOM 483 CA LEU A 364 -5.040 -5.175 -3.236 1.00 0.00 C ATOM 484 C LEU A 364 -4.809 -6.544 -3.895 1.00 0.00 C ATOM 485 O LEU A 364 -3.789 -6.750 -4.554 1.00 0.00 O ATOM 486 CB LEU A 364 -3.719 -4.553 -2.729 1.00 0.00 C ATOM 487 CG LEU A 364 -3.784 -3.022 -2.635 1.00 0.00 C ATOM 488 CD1 LEU A 364 -2.524 -2.492 -1.945 1.00 0.00 C ATOM 489 CD2 LEU A 364 -3.933 -2.384 -4.025 1.00 0.00 C ATOM 0 H LEU A 364 -5.554 -5.385 -1.230 1.00 0.00 H new ATOM 0 HA LEU A 364 -5.456 -4.538 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 364 -3.482 -4.964 -1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 364 -2.907 -4.838 -3.398 1.00 0.00 H new ATOM 0 HG LEU A 364 -4.661 -2.753 -2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 364 -2.574 -1.405 -1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 364 -2.455 -2.912 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 364 -1.645 -2.781 -2.521 1.00 0.00 H new ATOM 0 HD21 LEU A 364 -3.976 -1.299 -3.925 1.00 0.00 H new ATOM 0 HD22 LEU A 364 -3.079 -2.657 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 364 -4.850 -2.742 -4.493 1.00 0.00 H new ATOM 501 N GLY A 365 -5.816 -7.420 -3.857 1.00 0.00 N ATOM 502 CA GLY A 365 -5.764 -8.777 -4.387 1.00 0.00 C ATOM 503 C GLY A 365 -4.580 -9.600 -3.902 1.00 0.00 C ATOM 504 O GLY A 365 -3.989 -10.338 -4.686 1.00 0.00 O ATOM 0 H GLY A 365 -6.719 -7.192 -3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 365 -6.685 -9.294 -4.117 1.00 0.00 H new ATOM 0 HA3 GLY A 365 -5.734 -8.727 -5.475 1.00 0.00 H new ATOM 508 N TYR A 366 -4.294 -9.538 -2.602 1.00 0.00 N ATOM 509 CA TYR A 366 -3.321 -10.381 -1.933 1.00 0.00 C ATOM 510 C TYR A 366 -4.048 -11.066 -0.771 1.00 0.00 C ATOM 511 O TYR A 366 -4.605 -10.396 0.097 1.00 0.00 O ATOM 512 CB TYR A 366 -2.118 -9.521 -1.512 1.00 0.00 C ATOM 513 CG TYR A 366 -1.033 -9.216 -2.550 1.00 0.00 C ATOM 514 CD1 TYR A 366 -0.851 -10.001 -3.708 1.00 0.00 C ATOM 515 CD2 TYR A 366 -0.079 -8.232 -2.228 1.00 0.00 C ATOM 516 CE1 TYR A 366 0.284 -9.825 -4.511 1.00 0.00 C ATOM 517 CE2 TYR A 366 1.071 -8.062 -3.016 1.00 0.00 C ATOM 518 CZ TYR A 366 1.252 -8.862 -4.165 1.00 0.00 C ATOM 519 OH TYR A 366 2.381 -8.750 -4.919 1.00 0.00 O ATOM 0 H TYR A 366 -4.750 -8.878 -1.972 1.00 0.00 H new ATOM 0 HA TYR A 366 -2.913 -11.161 -2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 366 -2.504 -8.569 -1.147 1.00 0.00 H new ATOM 0 HB3 TYR A 366 -1.638 -10.015 -0.667 1.00 0.00 H new ATOM 0 HD1 TYR A 366 -1.590 -10.741 -3.977 1.00 0.00 H new ATOM 0 HD2 TYR A 366 -0.233 -7.601 -1.365 1.00 0.00 H new ATOM 0 HE1 TYR A 366 0.417 -10.429 -5.397 1.00 0.00 H new ATOM 0 HE2 TYR A 366 1.812 -7.324 -2.745 1.00 0.00 H new ATOM 0 HH TYR A 366 2.355 -9.406 -5.647 1.00 0.00 H new ATOM 529 N GLN A 367 -4.164 -12.398 -0.840 1.00 0.00 N ATOM 530 CA GLN A 367 -4.818 -13.253 0.159 1.00 0.00 C ATOM 531 C GLN A 367 -4.288 -12.987 1.588 1.00 0.00 C ATOM 532 O GLN A 367 -3.162 -12.499 1.719 1.00 0.00 O ATOM 533 CB GLN A 367 -4.684 -14.733 -0.262 1.00 0.00 C ATOM 534 CG GLN A 367 -5.167 -15.005 -1.698 1.00 0.00 C ATOM 535 CD GLN A 367 -5.534 -16.465 -1.989 1.00 0.00 C ATOM 536 OE1 GLN A 367 -6.365 -16.728 -2.853 1.00 0.00 O ATOM 537 NE2 GLN A 367 -4.959 -17.450 -1.319 1.00 0.00 N ATOM 0 H GLN A 367 -3.790 -12.931 -1.625 1.00 0.00 H new ATOM 0 HA GLN A 367 -5.879 -13.005 0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 367 -3.640 -15.035 -0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 367 -5.255 -15.353 0.429 1.00 0.00 H new ATOM 0 HG2 GLN A 367 -6.037 -14.380 -1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 367 -4.386 -14.696 -2.393 1.00 0.00 H new ATOM 0 HE21 GLN A 367 -4.267 -17.241 -0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 367 -5.207 -18.418 -1.522 1.00 0.00 H new ATOM 546 N PRO A 368 -5.020 -13.342 2.668 1.00 0.00 N ATOM 547 CA PRO A 368 -4.602 -13.060 4.044 1.00 0.00 C ATOM 548 C PRO A 368 -3.202 -13.580 4.407 1.00 0.00 C ATOM 549 O PRO A 368 -2.529 -12.957 5.228 1.00 0.00 O ATOM 550 CB PRO A 368 -5.695 -13.609 4.968 1.00 0.00 C ATOM 551 CG PRO A 368 -6.564 -14.486 4.070 1.00 0.00 C ATOM 552 CD PRO A 368 -6.363 -13.901 2.675 1.00 0.00 C ATOM 0 HA PRO A 368 -4.496 -11.982 4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 368 -5.267 -14.185 5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 368 -6.276 -12.803 5.415 1.00 0.00 H new ATOM 0 HG2 PRO A 368 -6.255 -15.530 4.113 1.00 0.00 H new ATOM 0 HG3 PRO A 368 -7.611 -14.451 4.370 1.00 0.00 H new ATOM 0 HD2 PRO A 368 -6.470 -14.670 1.910 1.00 0.00 H new ATOM 0 HD3 PRO A 368 -7.107 -13.133 2.462 1.00 0.00 H new ATOM 560 N GLU A 369 -2.732 -14.648 3.762 1.00 0.00 N ATOM 561 CA GLU A 369 -1.402 -15.225 3.953 1.00 0.00 C ATOM 562 C GLU A 369 -0.309 -14.195 3.645 1.00 0.00 C ATOM 563 O GLU A 369 0.698 -14.114 4.346 1.00 0.00 O ATOM 564 CB GLU A 369 -1.196 -16.445 3.032 1.00 0.00 C ATOM 565 CG GLU A 369 -2.299 -17.518 3.068 1.00 0.00 C ATOM 566 CD GLU A 369 -3.441 -17.189 2.098 1.00 0.00 C ATOM 567 OE1 GLU A 369 -3.349 -17.572 0.913 1.00 0.00 O ATOM 568 OE2 GLU A 369 -4.392 -16.498 2.524 1.00 0.00 O ATOM 0 H GLU A 369 -3.286 -15.152 3.069 1.00 0.00 H new ATOM 0 HA GLU A 369 -1.331 -15.534 4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 369 -1.099 -16.088 2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 369 -0.250 -16.917 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 369 -1.872 -18.488 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 369 -2.694 -17.601 4.081 1.00 0.00 H new ATOM 575 N HIS A 370 -0.533 -13.364 2.625 1.00 0.00 N ATOM 576 CA HIS A 370 0.398 -12.316 2.235 1.00 0.00 C ATOM 577 C HIS A 370 0.428 -11.247 3.322 1.00 0.00 C ATOM 578 O HIS A 370 1.473 -10.663 3.570 1.00 0.00 O ATOM 579 CB HIS A 370 -0.067 -11.622 0.951 1.00 0.00 C ATOM 580 CG HIS A 370 -0.133 -12.464 -0.297 1.00 0.00 C ATOM 581 ND1 HIS A 370 0.609 -12.246 -1.432 1.00 0.00 N ATOM 582 CD2 HIS A 370 -1.050 -13.439 -0.581 1.00 0.00 C ATOM 583 CE1 HIS A 370 0.132 -13.057 -2.392 1.00 0.00 C ATOM 584 NE2 HIS A 370 -0.887 -13.795 -1.922 1.00 0.00 N ATOM 0 H HIS A 370 -1.372 -13.404 2.046 1.00 0.00 H new ATOM 0 HA HIS A 370 1.375 -12.775 2.084 1.00 0.00 H new ATOM 0 HB2 HIS A 370 -1.058 -11.205 1.131 1.00 0.00 H new ATOM 0 HB3 HIS A 370 0.602 -10.783 0.758 1.00 0.00 H new ATOM 0 HD2 HIS A 370 -1.770 -13.858 0.107 1.00 0.00 H new ATOM 0 HE1 HIS A 370 0.515 -13.108 -3.401 1.00 0.00 H new ATOM 0 HE2 HIS A 370 -1.434 -14.481 -2.442 1.00 0.00 H new ATOM 592 N ILE A 371 -0.732 -10.928 3.901 1.00 0.00 N ATOM 593 CA ILE A 371 -0.904 -9.800 4.807 1.00 0.00 C ATOM 594 C ILE A 371 0.000 -10.024 6.022 1.00 0.00 C ATOM 595 O ILE A 371 0.718 -9.121 6.449 1.00 0.00 O ATOM 596 CB ILE A 371 -2.370 -9.601 5.205 1.00 0.00 C ATOM 597 CG1 ILE A 371 -3.267 -9.629 3.958 1.00 0.00 C ATOM 598 CG2 ILE A 371 -2.529 -8.233 5.909 1.00 0.00 C ATOM 599 CD1 ILE A 371 -3.020 -8.600 2.867 1.00 0.00 C ATOM 0 H ILE A 371 -1.590 -11.458 3.748 1.00 0.00 H new ATOM 0 HA ILE A 371 -0.614 -8.878 4.304 1.00 0.00 H new ATOM 0 HB ILE A 371 -2.665 -10.406 5.878 1.00 0.00 H new ATOM 0 HG12 ILE A 371 -3.179 -10.618 3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 371 -4.300 -9.520 4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 371 -3.571 -8.089 6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 371 -1.903 -8.208 6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 371 -2.225 -7.437 5.230 1.00 0.00 H new ATOM 0 HD11 ILE A 371 -3.733 -8.751 2.056 1.00 0.00 H new ATOM 0 HD12 ILE A 371 -3.144 -7.598 3.277 1.00 0.00 H new ATOM 0 HD13 ILE A 371 -2.006 -8.712 2.484 1.00 0.00 H new ATOM 611 N ASP A 372 -0.046 -11.239 6.573 1.00 0.00 N ATOM 612 CA ASP A 372 0.806 -11.640 7.689 1.00 0.00 C ATOM 613 C ASP A 372 2.274 -11.634 7.257 1.00 0.00 C ATOM 614 O ASP A 372 3.130 -11.045 7.920 1.00 0.00 O ATOM 615 CB ASP A 372 0.384 -13.012 8.217 1.00 0.00 C ATOM 616 CG ASP A 372 1.074 -13.276 9.554 1.00 0.00 C ATOM 617 OD1 ASP A 372 0.601 -12.694 10.557 1.00 0.00 O ATOM 618 OD2 ASP A 372 2.052 -14.052 9.562 1.00 0.00 O ATOM 0 H ASP A 372 -0.678 -11.973 6.255 1.00 0.00 H new ATOM 0 HA ASP A 372 0.690 -10.923 8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -0.698 -13.049 8.340 1.00 0.00 H new ATOM 0 HB3 ASP A 372 0.650 -13.788 7.499 1.00 0.00 H new ATOM 623 N SER A 373 2.559 -12.174 6.068 1.00 0.00 N ATOM 624 CA SER A 373 3.900 -12.229 5.502 1.00 0.00 C ATOM 625 C SER A 373 4.463 -10.856 5.093 1.00 0.00 C ATOM 626 O SER A 373 5.621 -10.826 4.690 1.00 0.00 O ATOM 627 CB SER A 373 3.886 -13.193 4.306 1.00 0.00 C ATOM 628 OG SER A 373 5.198 -13.473 3.857 1.00 0.00 O ATOM 0 H SER A 373 1.849 -12.591 5.466 1.00 0.00 H new ATOM 0 HA SER A 373 4.571 -12.589 6.282 1.00 0.00 H new ATOM 0 HB2 SER A 373 3.391 -14.121 4.590 1.00 0.00 H new ATOM 0 HB3 SER A 373 3.306 -12.758 3.492 1.00 0.00 H new ATOM 0 HG SER A 373 5.760 -12.678 3.972 1.00 0.00 H new ATOM 634 N PHE A 374 3.689 -9.769 5.182 1.00 0.00 N ATOM 635 CA PHE A 374 4.086 -8.382 4.909 1.00 0.00 C ATOM 636 C PHE A 374 4.371 -7.610 6.192 1.00 0.00 C ATOM 637 O PHE A 374 5.095 -6.618 6.179 1.00 0.00 O ATOM 638 CB PHE A 374 2.989 -7.647 4.121 1.00 0.00 C ATOM 639 CG PHE A 374 3.182 -7.649 2.629 1.00 0.00 C ATOM 640 CD1 PHE A 374 4.410 -7.221 2.089 1.00 0.00 C ATOM 641 CD2 PHE A 374 2.181 -8.138 1.768 1.00 0.00 C ATOM 642 CE1 PHE A 374 4.652 -7.319 0.713 1.00 0.00 C ATOM 643 CE2 PHE A 374 2.421 -8.226 0.386 1.00 0.00 C ATOM 644 CZ PHE A 374 3.657 -7.818 -0.147 1.00 0.00 C ATOM 0 H PHE A 374 2.711 -9.837 5.463 1.00 0.00 H new ATOM 0 HA PHE A 374 5.001 -8.428 4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 374 2.027 -8.105 4.350 1.00 0.00 H new ATOM 0 HB3 PHE A 374 2.941 -6.614 4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 374 5.170 -6.815 2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 374 1.227 -8.446 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 374 5.606 -7.010 0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 374 1.653 -8.609 -0.270 1.00 0.00 H new ATOM 0 HZ PHE A 374 3.841 -7.887 -1.209 1.00 0.00 H new ATOM 654 N THR A 375 3.731 -7.972 7.306 1.00 0.00 N ATOM 655 CA THR A 375 4.052 -7.372 8.596 1.00 0.00 C ATOM 656 C THR A 375 5.331 -7.997 9.193 1.00 0.00 C ATOM 657 O THR A 375 5.683 -7.659 10.324 1.00 0.00 O ATOM 658 CB THR A 375 2.819 -7.337 9.516 1.00 0.00 C ATOM 659 OG1 THR A 375 3.090 -6.660 10.725 1.00 0.00 O ATOM 660 CG2 THR A 375 2.178 -8.690 9.804 1.00 0.00 C ATOM 0 H THR A 375 2.992 -8.674 7.338 1.00 0.00 H new ATOM 0 HA THR A 375 4.307 -6.321 8.463 1.00 0.00 H new ATOM 0 HB THR A 375 2.080 -6.781 8.939 1.00 0.00 H new ATOM 0 HG1 THR A 375 4.028 -6.797 10.973 1.00 0.00 H new ATOM 0 HG21 THR A 375 1.319 -8.553 10.461 1.00 0.00 H new ATOM 0 HG22 THR A 375 1.851 -9.144 8.869 1.00 0.00 H new ATOM 0 HG23 THR A 375 2.905 -9.341 10.289 1.00 0.00 H new ATOM 668 N HIS A 376 5.973 -8.933 8.484 1.00 0.00 N ATOM 669 CA HIS A 376 7.213 -9.588 8.873 1.00 0.00 C ATOM 670 C HIS A 376 8.430 -8.694 8.605 1.00 0.00 C ATOM 671 O HIS A 376 9.395 -8.755 9.372 1.00 0.00 O ATOM 672 CB HIS A 376 7.351 -10.922 8.122 1.00 0.00 C ATOM 673 CG HIS A 376 6.744 -12.089 8.864 1.00 0.00 C ATOM 674 ND1 HIS A 376 5.404 -12.366 9.036 1.00 0.00 N ATOM 675 CD2 HIS A 376 7.451 -13.061 9.520 1.00 0.00 C ATOM 676 CE1 HIS A 376 5.313 -13.487 9.774 1.00 0.00 C ATOM 677 NE2 HIS A 376 6.538 -13.946 10.097 1.00 0.00 N ATOM 0 H HIS A 376 5.622 -9.264 7.586 1.00 0.00 H new ATOM 0 HA HIS A 376 7.177 -9.778 9.946 1.00 0.00 H new ATOM 0 HB2 HIS A 376 6.874 -10.833 7.146 1.00 0.00 H new ATOM 0 HB3 HIS A 376 8.407 -11.123 7.943 1.00 0.00 H new ATOM 0 HD1 HIS A 376 4.624 -11.820 8.670 1.00 0.00 H new ATOM 0 HD2 HIS A 376 8.527 -13.131 9.581 1.00 0.00 H new ATOM 0 HE1 HIS A 376 4.385 -13.955 10.067 1.00 0.00 H new ATOM 685 N GLU A 377 8.457 -7.942 7.499 1.00 0.00 N ATOM 686 CA GLU A 377 9.577 -7.064 7.186 1.00 0.00 C ATOM 687 C GLU A 377 9.727 -5.965 8.247 1.00 0.00 C ATOM 688 O GLU A 377 8.829 -5.706 9.046 1.00 0.00 O ATOM 689 CB GLU A 377 9.431 -6.423 5.789 1.00 0.00 C ATOM 690 CG GLU A 377 9.444 -7.421 4.620 1.00 0.00 C ATOM 691 CD GLU A 377 8.030 -7.797 4.172 1.00 0.00 C ATOM 692 OE1 GLU A 377 7.295 -8.328 5.029 1.00 0.00 O ATOM 693 OE2 GLU A 377 7.706 -7.522 2.993 1.00 0.00 O ATOM 0 H GLU A 377 7.709 -7.928 6.806 1.00 0.00 H new ATOM 0 HA GLU A 377 10.474 -7.683 7.185 1.00 0.00 H new ATOM 0 HB2 GLU A 377 8.498 -5.860 5.758 1.00 0.00 H new ATOM 0 HB3 GLU A 377 10.240 -5.707 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 377 9.988 -6.988 3.780 1.00 0.00 H new ATOM 0 HG3 GLU A 377 9.981 -8.321 4.918 1.00 0.00 H new ATOM 700 N ALA A 378 10.860 -5.250 8.183 1.00 0.00 N ATOM 701 CA ALA A 378 11.233 -4.173 9.094 1.00 0.00 C ATOM 702 C ALA A 378 10.069 -3.212 9.341 1.00 0.00 C ATOM 703 O ALA A 378 9.798 -2.864 10.490 1.00 0.00 O ATOM 704 CB ALA A 378 12.469 -3.439 8.561 1.00 0.00 C ATOM 0 H ALA A 378 11.565 -5.418 7.465 1.00 0.00 H new ATOM 0 HA ALA A 378 11.484 -4.612 10.059 1.00 0.00 H new ATOM 0 HB1 ALA A 378 12.740 -2.637 9.247 1.00 0.00 H new ATOM 0 HB2 ALA A 378 13.300 -4.140 8.476 1.00 0.00 H new ATOM 0 HB3 ALA A 378 12.247 -3.018 7.580 1.00 0.00 H new ATOM 710 N CYS A 379 9.417 -2.764 8.265 1.00 0.00 N ATOM 711 CA CYS A 379 8.071 -2.221 8.297 1.00 0.00 C ATOM 712 C CYS A 379 7.344 -2.729 7.036 1.00 0.00 C ATOM 713 O CYS A 379 8.006 -2.846 5.999 1.00 0.00 O ATOM 714 CB CYS A 379 8.107 -0.683 8.312 1.00 0.00 C ATOM 715 SG CYS A 379 9.031 -0.008 9.729 1.00 0.00 S ATOM 0 H CYS A 379 9.826 -2.772 7.330 1.00 0.00 H new ATOM 0 HA CYS A 379 7.551 -2.543 9.199 1.00 0.00 H new ATOM 0 HB2 CYS A 379 8.560 -0.326 7.387 1.00 0.00 H new ATOM 0 HB3 CYS A 379 7.086 -0.301 8.335 1.00 0.00 H new ATOM 0 HG CYS A 379 9.538 -0.985 10.422 1.00 0.00 H new ATOM 721 N PRO A 380 6.015 -2.967 7.091 1.00 0.00 N ATOM 722 CA PRO A 380 5.190 -3.363 5.947 1.00 0.00 C ATOM 723 C PRO A 380 5.303 -2.343 4.830 1.00 0.00 C ATOM 724 O PRO A 380 5.907 -2.634 3.808 1.00 0.00 O ATOM 725 CB PRO A 380 3.763 -3.559 6.485 1.00 0.00 C ATOM 726 CG PRO A 380 3.746 -2.799 7.808 1.00 0.00 C ATOM 727 CD PRO A 380 5.192 -2.876 8.288 1.00 0.00 C ATOM 0 HA PRO A 380 5.523 -4.297 5.495 1.00 0.00 H new ATOM 0 HB2 PRO A 380 3.020 -3.165 5.792 1.00 0.00 H new ATOM 0 HB3 PRO A 380 3.535 -4.615 6.631 1.00 0.00 H new ATOM 0 HG2 PRO A 380 3.423 -1.767 7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 380 3.062 -3.255 8.523 1.00 0.00 H new ATOM 0 HD2 PRO A 380 5.455 -1.995 8.874 1.00 0.00 H new ATOM 0 HD3 PRO A 380 5.343 -3.743 8.931 1.00 0.00 H new ATOM 735 N VAL A 381 4.662 -1.188 4.978 1.00 0.00 N ATOM 736 CA VAL A 381 4.414 -0.207 3.931 1.00 0.00 C ATOM 737 C VAL A 381 5.609 0.027 2.987 1.00 0.00 C ATOM 738 O VAL A 381 5.421 0.085 1.772 1.00 0.00 O ATOM 739 CB VAL A 381 3.759 1.035 4.552 1.00 0.00 C ATOM 740 CG1 VAL A 381 3.421 2.105 3.510 1.00 0.00 C ATOM 741 CG2 VAL A 381 2.459 0.664 5.273 1.00 0.00 C ATOM 0 H VAL A 381 4.282 -0.897 5.879 1.00 0.00 H new ATOM 0 HA VAL A 381 3.691 -0.607 3.220 1.00 0.00 H new ATOM 0 HB VAL A 381 4.491 1.437 5.252 1.00 0.00 H new ATOM 0 HG11 VAL A 381 2.960 2.961 4.003 1.00 0.00 H new ATOM 0 HG12 VAL A 381 4.334 2.424 3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 381 2.728 1.693 2.777 1.00 0.00 H new ATOM 0 HG21 VAL A 381 2.014 1.560 5.705 1.00 0.00 H new ATOM 0 HG22 VAL A 381 1.763 0.219 4.562 1.00 0.00 H new ATOM 0 HG23 VAL A 381 2.674 -0.052 6.066 1.00 0.00 H new ATOM 751 N ARG A 382 6.847 0.089 3.472 1.00 0.00 N ATOM 752 CA ARG A 382 8.014 0.157 2.595 1.00 0.00 C ATOM 753 C ARG A 382 8.126 -1.081 1.697 1.00 0.00 C ATOM 754 O ARG A 382 8.110 -0.916 0.472 1.00 0.00 O ATOM 755 CB ARG A 382 9.282 0.369 3.437 1.00 0.00 C ATOM 756 CG ARG A 382 9.409 1.800 3.996 1.00 0.00 C ATOM 757 CD ARG A 382 10.181 1.763 5.319 1.00 0.00 C ATOM 758 NE ARG A 382 10.535 3.101 5.823 1.00 0.00 N ATOM 759 CZ ARG A 382 10.759 3.398 7.110 1.00 0.00 C ATOM 760 NH1 ARG A 382 10.305 2.619 8.084 1.00 0.00 N ATOM 761 NH2 ARG A 382 11.468 4.471 7.431 1.00 0.00 N ATOM 0 H ARG A 382 7.068 0.094 4.468 1.00 0.00 H new ATOM 0 HA ARG A 382 7.895 1.009 1.926 1.00 0.00 H new ATOM 0 HB2 ARG A 382 9.282 -0.339 4.266 1.00 0.00 H new ATOM 0 HB3 ARG A 382 10.157 0.146 2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 382 9.925 2.438 3.279 1.00 0.00 H new ATOM 0 HG3 ARG A 382 8.420 2.231 4.151 1.00 0.00 H new ATOM 0 HD2 ARG A 382 9.580 1.247 6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 382 11.092 1.180 5.184 1.00 0.00 H new ATOM 0 HE ARG A 382 10.615 3.857 5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 382 9.775 1.777 7.859 1.00 0.00 H new ATOM 0 HH12 ARG A 382 10.486 2.862 9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 382 11.844 5.072 6.698 1.00 0.00 H new ATOM 0 HH22 ARG A 382 11.638 4.696 8.411 1.00 0.00 H new ATOM 775 N ALA A 383 8.262 -2.295 2.247 1.00 0.00 N ATOM 776 CA ALA A 383 8.448 -3.473 1.394 1.00 0.00 C ATOM 777 C ALA A 383 7.145 -3.912 0.713 1.00 0.00 C ATOM 778 O ALA A 383 7.177 -4.537 -0.346 1.00 0.00 O ATOM 779 CB ALA A 383 8.901 -4.634 2.288 1.00 0.00 C ATOM 0 H ALA A 383 8.247 -2.484 3.249 1.00 0.00 H new ATOM 0 HA ALA A 383 9.175 -3.217 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 383 9.048 -5.526 1.679 1.00 0.00 H new ATOM 0 HB2 ALA A 383 9.838 -4.371 2.778 1.00 0.00 H new ATOM 0 HB3 ALA A 383 8.139 -4.831 3.043 1.00 0.00 H new ATOM 785 N LEU A 384 6.017 -3.369 1.153 1.00 0.00 N ATOM 786 CA LEU A 384 4.681 -3.636 0.659 1.00 0.00 C ATOM 787 C LEU A 384 4.522 -2.970 -0.688 1.00 0.00 C ATOM 788 O LEU A 384 4.109 -3.590 -1.662 1.00 0.00 O ATOM 789 CB LEU A 384 3.713 -3.024 1.673 1.00 0.00 C ATOM 790 CG LEU A 384 2.222 -3.082 1.341 1.00 0.00 C ATOM 791 CD1 LEU A 384 1.751 -4.531 1.455 1.00 0.00 C ATOM 792 CD2 LEU A 384 1.505 -2.189 2.353 1.00 0.00 C ATOM 0 H LEU A 384 6.016 -2.688 1.912 1.00 0.00 H new ATOM 0 HA LEU A 384 4.490 -4.703 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 384 3.865 -3.524 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 384 3.987 -1.978 1.813 1.00 0.00 H new ATOM 0 HG LEU A 384 2.012 -2.736 0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 384 0.688 -4.588 1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 384 2.310 -5.152 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 384 1.918 -4.889 2.471 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.434 -2.200 2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.690 -2.560 3.361 1.00 0.00 H new ATOM 0 HD23 LEU A 384 1.879 -1.169 2.268 1.00 0.00 H new ATOM 804 N LEU A 385 4.860 -1.685 -0.747 1.00 0.00 N ATOM 805 CA LEU A 385 4.662 -0.876 -1.935 1.00 0.00 C ATOM 806 C LEU A 385 5.764 -1.131 -2.960 1.00 0.00 C ATOM 807 O LEU A 385 5.575 -0.797 -4.131 1.00 0.00 O ATOM 808 CB LEU A 385 4.591 0.605 -1.544 1.00 0.00 C ATOM 809 CG LEU A 385 3.484 0.923 -0.519 1.00 0.00 C ATOM 810 CD1 LEU A 385 3.598 2.383 -0.078 1.00 0.00 C ATOM 811 CD2 LEU A 385 2.087 0.616 -1.057 1.00 0.00 C ATOM 0 H LEU A 385 5.280 -1.179 0.033 1.00 0.00 H new ATOM 0 HA LEU A 385 3.718 -1.156 -2.403 1.00 0.00 H new ATOM 0 HB2 LEU A 385 5.553 0.910 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 385 4.425 1.201 -2.441 1.00 0.00 H new ATOM 0 HG LEU A 385 3.628 0.274 0.345 1.00 0.00 H new ATOM 0 HD11 LEU A 385 2.815 2.606 0.647 1.00 0.00 H new ATOM 0 HD12 LEU A 385 4.573 2.550 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 385 3.487 3.035 -0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 385 1.343 0.857 -0.297 1.00 0.00 H new ATOM 0 HD22 LEU A 385 1.901 1.214 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 385 2.019 -0.442 -1.309 1.00 0.00 H new ATOM 823 N ALA A 386 6.900 -1.697 -2.537 1.00 0.00 N ATOM 824 CA ALA A 386 7.883 -2.263 -3.450 1.00 0.00 C ATOM 825 C ALA A 386 7.385 -3.586 -4.051 1.00 0.00 C ATOM 826 O ALA A 386 7.532 -3.787 -5.253 1.00 0.00 O ATOM 827 CB ALA A 386 9.201 -2.484 -2.700 1.00 0.00 C ATOM 0 H ALA A 386 7.158 -1.772 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 386 8.041 -1.564 -4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 386 9.940 -2.908 -3.380 1.00 0.00 H new ATOM 0 HB2 ALA A 386 9.565 -1.531 -2.316 1.00 0.00 H new ATOM 0 HB3 ALA A 386 9.036 -3.171 -1.870 1.00 0.00 H new ATOM 833 N SER A 387 6.751 -4.452 -3.254 1.00 0.00 N ATOM 834 CA SER A 387 6.490 -5.841 -3.621 1.00 0.00 C ATOM 835 C SER A 387 5.158 -5.943 -4.362 1.00 0.00 C ATOM 836 O SER A 387 5.109 -6.493 -5.460 1.00 0.00 O ATOM 837 CB SER A 387 6.503 -6.684 -2.339 1.00 0.00 C ATOM 838 OG SER A 387 6.292 -8.059 -2.582 1.00 0.00 O ATOM 0 H SER A 387 6.403 -4.203 -2.328 1.00 0.00 H new ATOM 0 HA SER A 387 7.258 -6.217 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 387 7.460 -6.552 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 387 5.732 -6.318 -1.662 1.00 0.00 H new ATOM 0 HG SER A 387 6.312 -8.548 -1.733 1.00 0.00 H new ATOM 844 N TRP A 388 4.078 -5.352 -3.834 1.00 0.00 N ATOM 845 CA TRP A 388 2.852 -5.180 -4.604 1.00 0.00 C ATOM 846 C TRP A 388 3.158 -4.418 -5.894 1.00 0.00 C ATOM 847 O TRP A 388 2.663 -4.782 -6.955 1.00 0.00 O ATOM 848 CB TRP A 388 1.777 -4.459 -3.781 1.00 0.00 C ATOM 849 CG TRP A 388 0.483 -4.318 -4.523 1.00 0.00 C ATOM 850 CD1 TRP A 388 -0.402 -5.311 -4.785 1.00 0.00 C ATOM 851 CD2 TRP A 388 -0.044 -3.132 -5.188 1.00 0.00 C ATOM 852 NE1 TRP A 388 -1.416 -4.831 -5.591 1.00 0.00 N ATOM 853 CE2 TRP A 388 -1.229 -3.511 -5.882 1.00 0.00 C ATOM 854 CE3 TRP A 388 0.365 -1.783 -5.301 1.00 0.00 C ATOM 855 CZ2 TRP A 388 -1.980 -2.621 -6.644 1.00 0.00 C ATOM 856 CZ3 TRP A 388 -0.392 -0.875 -6.066 1.00 0.00 C ATOM 857 CH2 TRP A 388 -1.558 -1.295 -6.704 1.00 0.00 C ATOM 0 H TRP A 388 4.034 -4.989 -2.882 1.00 0.00 H new ATOM 0 HA TRP A 388 2.458 -6.164 -4.860 1.00 0.00 H new ATOM 0 HB2 TRP A 388 1.603 -5.009 -2.856 1.00 0.00 H new ATOM 0 HB3 TRP A 388 2.141 -3.470 -3.501 1.00 0.00 H new ATOM 0 HD1 TRP A 388 -0.326 -6.324 -4.419 1.00 0.00 H new ATOM 0 HE1 TRP A 388 -2.201 -5.390 -5.925 1.00 0.00 H new ATOM 0 HE3 TRP A 388 1.261 -1.448 -4.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 388 -2.863 -2.948 -7.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 388 -0.068 0.151 -6.159 1.00 0.00 H new ATOM 0 HH2 TRP A 388 -2.146 -0.577 -7.256 1.00 0.00 H new ATOM 868 N GLY A 389 4.032 -3.409 -5.821 1.00 0.00 N ATOM 869 CA GLY A 389 4.453 -2.613 -6.961 1.00 0.00 C ATOM 870 C GLY A 389 5.252 -3.383 -8.018 1.00 0.00 C ATOM 871 O GLY A 389 5.579 -2.782 -9.043 1.00 0.00 O ATOM 0 H GLY A 389 4.471 -3.123 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 389 3.569 -2.184 -7.434 1.00 0.00 H new ATOM 0 HA3 GLY A 389 5.058 -1.781 -6.602 1.00 0.00 H new ATOM 875 N ALA A 390 5.595 -4.657 -7.795 1.00 0.00 N ATOM 876 CA ALA A 390 6.203 -5.512 -8.806 1.00 0.00 C ATOM 877 C ALA A 390 5.150 -6.217 -9.674 1.00 0.00 C ATOM 878 O ALA A 390 5.510 -6.765 -10.714 1.00 0.00 O ATOM 879 CB ALA A 390 7.110 -6.544 -8.126 1.00 0.00 C ATOM 0 H ALA A 390 5.455 -5.122 -6.898 1.00 0.00 H new ATOM 0 HA ALA A 390 6.795 -4.881 -9.469 1.00 0.00 H new ATOM 0 HB1 ALA A 390 7.565 -7.183 -8.883 1.00 0.00 H new ATOM 0 HB2 ALA A 390 7.892 -6.029 -7.568 1.00 0.00 H new ATOM 0 HB3 ALA A 390 6.519 -7.154 -7.443 1.00 0.00 H new ATOM 885 N GLN A 391 3.872 -6.230 -9.273 1.00 0.00 N ATOM 886 CA GLN A 391 2.806 -6.775 -10.103 1.00 0.00 C ATOM 887 C GLN A 391 2.548 -5.776 -11.235 1.00 0.00 C ATOM 888 O GLN A 391 2.180 -4.630 -10.975 1.00 0.00 O ATOM 889 CB GLN A 391 1.546 -7.044 -9.252 1.00 0.00 C ATOM 890 CG GLN A 391 1.766 -8.161 -8.228 1.00 0.00 C ATOM 891 CD GLN A 391 0.436 -8.634 -7.648 1.00 0.00 C ATOM 892 OE1 GLN A 391 0.037 -9.774 -7.845 1.00 0.00 O ATOM 893 NE2 GLN A 391 -0.294 -7.776 -6.949 1.00 0.00 N ATOM 0 H GLN A 391 3.557 -5.866 -8.374 1.00 0.00 H new ATOM 0 HA GLN A 391 3.091 -7.735 -10.533 1.00 0.00 H new ATOM 0 HB2 GLN A 391 1.258 -6.130 -8.733 1.00 0.00 H new ATOM 0 HB3 GLN A 391 0.718 -7.313 -9.908 1.00 0.00 H new ATOM 0 HG2 GLN A 391 2.280 -8.998 -8.701 1.00 0.00 H new ATOM 0 HG3 GLN A 391 2.411 -7.803 -7.426 1.00 0.00 H new ATOM 0 HE21 GLN A 391 0.047 -6.828 -6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 391 -1.196 -8.064 -6.570 1.00 0.00 H new ATOM 902 N ASP A 392 2.739 -6.184 -12.491 1.00 0.00 N ATOM 903 CA ASP A 392 2.410 -5.349 -13.647 1.00 0.00 C ATOM 904 C ASP A 392 0.894 -5.198 -13.742 1.00 0.00 C ATOM 905 O ASP A 392 0.199 -6.160 -14.071 1.00 0.00 O ATOM 906 CB ASP A 392 2.999 -5.851 -14.970 1.00 0.00 C ATOM 907 CG ASP A 392 2.675 -4.862 -16.104 1.00 0.00 C ATOM 908 OD1 ASP A 392 2.442 -3.666 -15.797 1.00 0.00 O ATOM 909 OD2 ASP A 392 2.698 -5.300 -17.275 1.00 0.00 O ATOM 0 H ASP A 392 3.124 -7.097 -12.734 1.00 0.00 H new ATOM 0 HA ASP A 392 2.877 -4.378 -13.482 1.00 0.00 H new ATOM 0 HB2 ASP A 392 4.079 -5.966 -14.875 1.00 0.00 H new ATOM 0 HB3 ASP A 392 2.593 -6.834 -15.208 1.00 0.00 H new ATOM 914 N SER A 393 0.404 -4.038 -13.294 1.00 0.00 N ATOM 915 CA SER A 393 -0.968 -3.544 -13.107 1.00 0.00 C ATOM 916 C SER A 393 -1.101 -2.765 -11.791 1.00 0.00 C ATOM 917 O SER A 393 -2.088 -2.040 -11.618 1.00 0.00 O ATOM 918 CB SER A 393 -2.066 -4.617 -13.228 1.00 0.00 C ATOM 919 OG SER A 393 -1.815 -5.734 -12.404 1.00 0.00 O ATOM 0 H SER A 393 1.063 -3.313 -13.011 1.00 0.00 H new ATOM 0 HA SER A 393 -1.140 -2.868 -13.945 1.00 0.00 H new ATOM 0 HB2 SER A 393 -3.029 -4.181 -12.962 1.00 0.00 H new ATOM 0 HB3 SER A 393 -2.140 -4.943 -14.266 1.00 0.00 H new ATOM 0 HG SER A 393 -1.118 -6.290 -12.810 1.00 0.00 H new ATOM 925 N ALA A 394 -0.105 -2.855 -10.895 1.00 0.00 N ATOM 926 CA ALA A 394 -0.029 -2.185 -9.600 1.00 0.00 C ATOM 927 C ALA A 394 0.172 -0.672 -9.749 1.00 0.00 C ATOM 928 O ALA A 394 1.191 -0.089 -9.352 1.00 0.00 O ATOM 929 CB ALA A 394 1.077 -2.828 -8.762 1.00 0.00 C ATOM 0 H ALA A 394 0.715 -3.434 -11.073 1.00 0.00 H new ATOM 0 HA ALA A 394 -0.980 -2.312 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 394 1.136 -2.330 -7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 394 0.853 -3.884 -8.613 1.00 0.00 H new ATOM 0 HB3 ALA A 394 2.031 -2.729 -9.280 1.00 0.00 H new ATOM 935 N THR A 395 -0.820 -0.015 -10.340 1.00 0.00 N ATOM 936 CA THR A 395 -0.827 1.419 -10.494 1.00 0.00 C ATOM 937 C THR A 395 -0.989 2.056 -9.118 1.00 0.00 C ATOM 938 O THR A 395 -1.565 1.453 -8.210 1.00 0.00 O ATOM 939 CB THR A 395 -1.894 1.825 -11.525 1.00 0.00 C ATOM 940 OG1 THR A 395 -3.136 1.204 -11.267 1.00 0.00 O ATOM 941 CG2 THR A 395 -1.468 1.474 -12.954 1.00 0.00 C ATOM 0 H THR A 395 -1.645 -0.475 -10.726 1.00 0.00 H new ATOM 0 HA THR A 395 0.116 1.790 -10.896 1.00 0.00 H new ATOM 0 HB THR A 395 -2.001 2.906 -11.432 1.00 0.00 H new ATOM 0 HG1 THR A 395 -3.789 1.487 -11.941 1.00 0.00 H new ATOM 0 HG21 THR A 395 -2.249 1.777 -13.651 1.00 0.00 H new ATOM 0 HG22 THR A 395 -0.542 1.996 -13.196 1.00 0.00 H new ATOM 0 HG23 THR A 395 -1.309 0.399 -13.032 1.00 0.00 H new ATOM 949 N LEU A 396 -0.593 3.317 -8.950 1.00 0.00 N ATOM 950 CA LEU A 396 -0.996 4.020 -7.750 1.00 0.00 C ATOM 951 C LEU A 396 -2.514 4.177 -7.792 1.00 0.00 C ATOM 952 O LEU A 396 -3.156 4.163 -6.753 1.00 0.00 O ATOM 953 CB LEU A 396 -0.261 5.359 -7.601 1.00 0.00 C ATOM 954 CG LEU A 396 0.297 5.511 -6.173 1.00 0.00 C ATOM 955 CD1 LEU A 396 1.042 6.836 -6.018 1.00 0.00 C ATOM 956 CD2 LEU A 396 -0.730 5.382 -5.042 1.00 0.00 C ATOM 0 H LEU A 396 -0.018 3.848 -9.604 1.00 0.00 H new ATOM 0 HA LEU A 396 -0.719 3.448 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 396 0.553 5.417 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 396 -0.942 6.181 -7.821 1.00 0.00 H new ATOM 0 HG LEU A 396 0.972 4.662 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 396 1.427 6.920 -5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 396 1.872 6.872 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 396 0.360 7.662 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 396 -0.230 5.505 -4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 396 -1.494 6.151 -5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 396 -1.197 4.398 -5.085 1.00 0.00 H new ATOM 968 N ASP A 397 -3.092 4.208 -8.995 1.00 0.00 N ATOM 969 CA ASP A 397 -4.516 4.319 -9.262 1.00 0.00 C ATOM 970 C ASP A 397 -5.273 3.048 -8.844 1.00 0.00 C ATOM 971 O ASP A 397 -6.447 3.128 -8.488 1.00 0.00 O ATOM 972 CB ASP A 397 -4.722 4.563 -10.773 1.00 0.00 C ATOM 973 CG ASP A 397 -3.827 5.651 -11.386 1.00 0.00 C ATOM 974 OD1 ASP A 397 -2.586 5.456 -11.465 1.00 0.00 O ATOM 975 OD2 ASP A 397 -4.341 6.686 -11.863 1.00 0.00 O ATOM 0 H ASP A 397 -2.542 4.153 -9.853 1.00 0.00 H new ATOM 0 HA ASP A 397 -4.911 5.151 -8.679 1.00 0.00 H new ATOM 0 HB2 ASP A 397 -4.545 3.627 -11.304 1.00 0.00 H new ATOM 0 HB3 ASP A 397 -5.764 4.834 -10.943 1.00 0.00 H new ATOM 980 N ALA A 398 -4.585 1.905 -8.734 1.00 0.00 N ATOM 981 CA ALA A 398 -5.127 0.643 -8.226 1.00 0.00 C ATOM 982 C ALA A 398 -5.165 0.709 -6.706 1.00 0.00 C ATOM 983 O ALA A 398 -6.194 0.420 -6.098 1.00 0.00 O ATOM 984 CB ALA A 398 -4.277 -0.575 -8.653 1.00 0.00 C ATOM 0 H ALA A 398 -3.604 1.833 -9.005 1.00 0.00 H new ATOM 0 HA ALA A 398 -6.125 0.513 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 398 -4.720 -1.486 -8.252 1.00 0.00 H new ATOM 0 HB2 ALA A 398 -4.247 -0.635 -9.741 1.00 0.00 H new ATOM 0 HB3 ALA A 398 -3.263 -0.464 -8.268 1.00 0.00 H new ATOM 990 N LEU A 399 -4.046 1.091 -6.086 1.00 0.00 N ATOM 991 CA LEU A 399 -3.967 1.210 -4.637 1.00 0.00 C ATOM 992 C LEU A 399 -4.939 2.270 -4.135 1.00 0.00 C ATOM 993 O LEU A 399 -5.607 2.075 -3.124 1.00 0.00 O ATOM 994 CB LEU A 399 -2.517 1.489 -4.226 1.00 0.00 C ATOM 995 CG LEU A 399 -2.368 1.566 -2.699 1.00 0.00 C ATOM 996 CD1 LEU A 399 -1.025 0.984 -2.254 1.00 0.00 C ATOM 997 CD2 LEU A 399 -2.445 3.006 -2.184 1.00 0.00 C ATOM 0 H LEU A 399 -3.180 1.323 -6.572 1.00 0.00 H new ATOM 0 HA LEU A 399 -4.266 0.272 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU A 399 -1.870 0.704 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 399 -2.185 2.426 -4.672 1.00 0.00 H new ATOM 0 HG LEU A 399 -3.195 0.989 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 399 -0.942 1.049 -1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 399 -0.961 -0.060 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 399 -0.214 1.548 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 399 -2.335 3.011 -1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 399 -1.646 3.596 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 399 -3.409 3.437 -2.453 1.00 0.00 H new ATOM 1009 N LEU A 400 -5.046 3.381 -4.853 1.00 0.00 N ATOM 1010 CA LEU A 400 -5.959 4.470 -4.596 1.00 0.00 C ATOM 1011 C LEU A 400 -7.404 3.976 -4.682 1.00 0.00 C ATOM 1012 O LEU A 400 -8.239 4.347 -3.859 1.00 0.00 O ATOM 1013 CB LEU A 400 -5.657 5.524 -5.678 1.00 0.00 C ATOM 1014 CG LEU A 400 -6.662 6.664 -5.896 1.00 0.00 C ATOM 1015 CD1 LEU A 400 -5.939 7.821 -6.603 1.00 0.00 C ATOM 1016 CD2 LEU A 400 -7.884 6.308 -6.762 1.00 0.00 C ATOM 0 H LEU A 400 -4.463 3.548 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 400 -5.835 4.889 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 400 -4.693 5.974 -5.442 1.00 0.00 H new ATOM 0 HB3 LEU A 400 -5.540 5.000 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 400 -7.036 6.913 -4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 400 -6.638 8.641 -6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 400 -5.112 8.167 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 400 -5.553 7.477 -7.562 1.00 0.00 H new ATOM 0 HD21 LEU A 400 -8.531 7.180 -6.855 1.00 0.00 H new ATOM 0 HD22 LEU A 400 -7.550 5.997 -7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 400 -8.437 5.494 -6.293 1.00 0.00 H new ATOM 1028 N ALA A 401 -7.727 3.156 -5.686 1.00 0.00 N ATOM 1029 CA ALA A 401 -9.065 2.608 -5.844 1.00 0.00 C ATOM 1030 C ALA A 401 -9.389 1.632 -4.721 1.00 0.00 C ATOM 1031 O ALA A 401 -10.506 1.642 -4.209 1.00 0.00 O ATOM 1032 CB ALA A 401 -9.163 1.882 -7.178 1.00 0.00 C ATOM 0 H ALA A 401 -7.068 2.858 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 401 -9.779 3.431 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -10.166 1.471 -7.296 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -8.960 2.582 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 401 -8.434 1.072 -7.206 1.00 0.00 H new ATOM 1038 N ALA A 402 -8.431 0.786 -4.339 1.00 0.00 N ATOM 1039 CA ALA A 402 -8.572 -0.095 -3.198 1.00 0.00 C ATOM 1040 C ALA A 402 -8.802 0.749 -1.939 1.00 0.00 C ATOM 1041 O ALA A 402 -9.778 0.506 -1.237 1.00 0.00 O ATOM 1042 CB ALA A 402 -7.372 -1.036 -3.127 1.00 0.00 C ATOM 0 H ALA A 402 -7.536 0.699 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 402 -9.445 -0.741 -3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -7.479 -1.698 -2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -7.321 -1.630 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 402 -6.457 -0.452 -3.023 1.00 0.00 H new ATOM 1048 N LEU A 403 -8.024 1.816 -1.705 1.00 0.00 N ATOM 1049 CA LEU A 403 -8.300 2.774 -0.627 1.00 0.00 C ATOM 1050 C LEU A 403 -9.719 3.327 -0.685 1.00 0.00 C ATOM 1051 O LEU A 403 -10.381 3.471 0.343 1.00 0.00 O ATOM 1052 CB LEU A 403 -7.323 3.955 -0.665 1.00 0.00 C ATOM 1053 CG LEU A 403 -5.976 3.695 0.010 1.00 0.00 C ATOM 1054 CD1 LEU A 403 -5.044 4.858 -0.343 1.00 0.00 C ATOM 1055 CD2 LEU A 403 -6.167 3.576 1.528 1.00 0.00 C ATOM 0 H LEU A 403 -7.193 2.037 -2.253 1.00 0.00 H new ATOM 0 HA LEU A 403 -8.177 2.215 0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -7.145 4.228 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -7.794 4.813 -0.186 1.00 0.00 H new ATOM 0 HG LEU A 403 -5.540 2.759 -0.339 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -4.072 4.701 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -4.921 4.910 -1.425 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -5.474 5.792 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -5.203 3.391 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -6.590 4.503 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -6.844 2.750 1.746 1.00 0.00 H new ATOM 1067 N ARG A 404 -10.207 3.658 -1.877 1.00 0.00 N ATOM 1068 CA ARG A 404 -11.555 4.174 -2.051 1.00 0.00 C ATOM 1069 C ARG A 404 -12.593 3.129 -1.625 1.00 0.00 C ATOM 1070 O ARG A 404 -13.664 3.541 -1.186 1.00 0.00 O ATOM 1071 CB ARG A 404 -11.727 4.648 -3.506 1.00 0.00 C ATOM 1072 CG ARG A 404 -13.043 5.363 -3.840 1.00 0.00 C ATOM 1073 CD ARG A 404 -13.020 6.861 -3.508 1.00 0.00 C ATOM 1074 NE ARG A 404 -13.134 7.177 -2.068 1.00 0.00 N ATOM 1075 CZ ARG A 404 -14.258 7.179 -1.335 1.00 0.00 C ATOM 1076 NH1 ARG A 404 -15.397 6.704 -1.829 1.00 0.00 N ATOM 1077 NH2 ARG A 404 -14.264 7.659 -0.095 1.00 0.00 N ATOM 0 H ARG A 404 -9.678 3.575 -2.745 1.00 0.00 H new ATOM 0 HA ARG A 404 -11.719 5.036 -1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -10.903 5.320 -3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -11.633 3.782 -4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -13.258 5.236 -4.901 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -13.856 4.888 -3.291 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -12.092 7.289 -3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -13.837 7.349 -4.039 1.00 0.00 H new ATOM 0 HE ARG A 404 -12.270 7.418 -1.582 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -15.425 6.331 -2.778 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -16.243 6.713 -1.259 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -13.406 8.033 0.311 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -15.126 7.654 0.450 1.00 0.00 H new ATOM 1091 N ARG A 405 -12.323 1.819 -1.717 1.00 0.00 N ATOM 1092 CA ARG A 405 -13.252 0.783 -1.274 1.00 0.00 C ATOM 1093 C ARG A 405 -13.430 0.803 0.243 1.00 0.00 C ATOM 1094 O ARG A 405 -14.573 0.754 0.689 1.00 0.00 O ATOM 1095 CB ARG A 405 -12.806 -0.606 -1.748 1.00 0.00 C ATOM 1096 CG ARG A 405 -12.690 -0.712 -3.277 1.00 0.00 C ATOM 1097 CD ARG A 405 -13.055 -2.092 -3.837 1.00 0.00 C ATOM 1098 NE ARG A 405 -12.193 -3.168 -3.329 1.00 0.00 N ATOM 1099 CZ ARG A 405 -11.099 -3.690 -3.892 1.00 0.00 C ATOM 1100 NH1 ARG A 405 -10.500 -3.097 -4.924 1.00 0.00 N ATOM 1101 NH2 ARG A 405 -10.597 -4.817 -3.424 1.00 0.00 N ATOM 0 H ARG A 405 -11.452 1.453 -2.102 1.00 0.00 H new ATOM 0 HA ARG A 405 -14.219 1.001 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -11.842 -0.844 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -13.517 -1.351 -1.391 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -13.338 0.037 -3.733 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -11.669 -0.471 -3.571 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -14.092 -2.316 -3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -12.989 -2.065 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 405 -12.465 -3.568 -2.431 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -10.875 -2.226 -5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -9.666 -3.514 -5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -11.044 -5.286 -2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -9.762 -5.219 -3.850 1.00 0.00 H new ATOM 1115 N ILE A 406 -12.374 1.050 1.033 1.00 0.00 N ATOM 1116 CA ILE A 406 -12.533 1.266 2.479 1.00 0.00 C ATOM 1117 C ILE A 406 -12.795 2.748 2.771 1.00 0.00 C ATOM 1118 O ILE A 406 -12.752 3.185 3.919 1.00 0.00 O ATOM 1119 CB ILE A 406 -11.332 0.721 3.291 1.00 0.00 C ATOM 1120 CG1 ILE A 406 -9.918 1.191 2.870 1.00 0.00 C ATOM 1121 CG2 ILE A 406 -11.435 -0.798 3.352 1.00 0.00 C ATOM 1122 CD1 ILE A 406 -9.093 0.214 2.015 1.00 0.00 C ATOM 0 H ILE A 406 -11.411 1.105 0.700 1.00 0.00 H new ATOM 0 HA ILE A 406 -13.402 0.695 2.806 1.00 0.00 H new ATOM 0 HB ILE A 406 -11.424 1.168 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -10.020 2.125 2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -9.351 1.416 3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -10.595 -1.197 3.921 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -12.369 -1.080 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -11.414 -1.205 2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -8.125 0.659 1.787 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -8.945 -0.715 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -9.624 0.005 1.087 1.00 0.00 H new ATOM 1134 N GLN A 407 -13.100 3.525 1.730 1.00 0.00 N ATOM 1135 CA GLN A 407 -13.354 4.952 1.723 1.00 0.00 C ATOM 1136 C GLN A 407 -12.240 5.765 2.395 1.00 0.00 C ATOM 1137 O GLN A 407 -12.457 6.946 2.674 1.00 0.00 O ATOM 1138 CB GLN A 407 -14.751 5.225 2.316 1.00 0.00 C ATOM 1139 CG GLN A 407 -15.877 4.714 1.400 1.00 0.00 C ATOM 1140 CD GLN A 407 -17.014 5.722 1.306 1.00 0.00 C ATOM 1141 OE1 GLN A 407 -16.938 6.664 0.519 1.00 0.00 O ATOM 1142 NE2 GLN A 407 -18.065 5.576 2.095 1.00 0.00 N ATOM 0 H GLN A 407 -13.180 3.130 0.793 1.00 0.00 H new ATOM 0 HA GLN A 407 -13.348 5.299 0.690 1.00 0.00 H new ATOM 0 HB2 GLN A 407 -14.831 4.744 3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 407 -14.873 6.296 2.477 1.00 0.00 H new ATOM 0 HG2 GLN A 407 -15.478 4.518 0.405 1.00 0.00 H new ATOM 0 HG3 GLN A 407 -16.258 3.767 1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 407 -18.112 4.789 2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 407 -18.829 6.251 2.057 1.00 0.00 H new ATOM 1151 N ARG A 408 -11.035 5.205 2.564 1.00 0.00 N ATOM 1152 CA ARG A 408 -9.885 5.884 3.179 1.00 0.00 C ATOM 1153 C ARG A 408 -9.203 6.789 2.160 1.00 0.00 C ATOM 1154 O ARG A 408 -8.045 6.622 1.781 1.00 0.00 O ATOM 1155 CB ARG A 408 -8.934 4.879 3.849 1.00 0.00 C ATOM 1156 CG ARG A 408 -9.539 4.241 5.114 1.00 0.00 C ATOM 1157 CD ARG A 408 -9.919 5.240 6.223 1.00 0.00 C ATOM 1158 NE ARG A 408 -8.780 6.083 6.633 1.00 0.00 N ATOM 1159 CZ ARG A 408 -7.838 5.789 7.534 1.00 0.00 C ATOM 1160 NH1 ARG A 408 -7.934 4.672 8.255 1.00 0.00 N ATOM 1161 NH2 ARG A 408 -6.801 6.596 7.696 1.00 0.00 N ATOM 0 H ARG A 408 -10.827 4.250 2.272 1.00 0.00 H new ATOM 0 HA ARG A 408 -10.236 6.529 3.984 1.00 0.00 H new ATOM 0 HB2 ARG A 408 -8.681 4.094 3.137 1.00 0.00 H new ATOM 0 HB3 ARG A 408 -8.004 5.384 4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 408 -10.429 3.679 4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 408 -8.825 3.524 5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 408 -10.731 5.877 5.872 1.00 0.00 H new ATOM 0 HD3 ARG A 408 -10.293 4.693 7.088 1.00 0.00 H new ATOM 0 HE ARG A 408 -8.703 6.992 6.178 1.00 0.00 H new ATOM 0 HH11 ARG A 408 -8.726 4.043 8.118 1.00 0.00 H new ATOM 0 HH12 ARG A 408 -7.216 4.446 8.943 1.00 0.00 H new ATOM 0 HH21 ARG A 408 -6.721 7.443 7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 408 -6.082 6.371 8.384 1.00 0.00 H new ATOM 1175 N ALA A 409 -9.992 7.733 1.665 1.00 0.00 N ATOM 1176 CA ALA A 409 -9.617 8.708 0.671 1.00 0.00 C ATOM 1177 C ALA A 409 -8.706 9.786 1.262 1.00 0.00 C ATOM 1178 O ALA A 409 -7.915 10.351 0.522 1.00 0.00 O ATOM 1179 CB ALA A 409 -10.908 9.287 0.108 1.00 0.00 C ATOM 0 H ALA A 409 -10.960 7.838 1.967 1.00 0.00 H new ATOM 0 HA ALA A 409 -9.037 8.246 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -10.672 10.033 -0.651 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -11.500 8.489 -0.339 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -11.478 9.755 0.911 1.00 0.00 H new ATOM 1185 N ASP A 410 -8.718 9.954 2.584 1.00 0.00 N ATOM 1186 CA ASP A 410 -7.757 10.746 3.348 1.00 0.00 C ATOM 1187 C ASP A 410 -6.323 10.326 3.020 1.00 0.00 C ATOM 1188 O ASP A 410 -5.428 11.163 2.888 1.00 0.00 O ATOM 1189 CB ASP A 410 -8.038 10.588 4.855 1.00 0.00 C ATOM 1190 CG ASP A 410 -7.904 9.142 5.351 1.00 0.00 C ATOM 1191 OD1 ASP A 410 -8.668 8.267 4.875 1.00 0.00 O ATOM 1192 OD2 ASP A 410 -7.062 8.859 6.227 1.00 0.00 O ATOM 0 H ASP A 410 -9.428 9.523 3.176 1.00 0.00 H new ATOM 0 HA ASP A 410 -7.868 11.795 3.073 1.00 0.00 H new ATOM 0 HB2 ASP A 410 -7.349 11.221 5.414 1.00 0.00 H new ATOM 0 HB3 ASP A 410 -9.045 10.946 5.069 1.00 0.00 H new ATOM 1197 N ILE A 411 -6.086 9.022 2.846 1.00 0.00 N ATOM 1198 CA ILE A 411 -4.771 8.545 2.457 1.00 0.00 C ATOM 1199 C ILE A 411 -4.540 8.822 0.967 1.00 0.00 C ATOM 1200 O ILE A 411 -3.409 9.108 0.591 1.00 0.00 O ATOM 1201 CB ILE A 411 -4.574 7.051 2.822 1.00 0.00 C ATOM 1202 CG1 ILE A 411 -4.996 6.740 4.287 1.00 0.00 C ATOM 1203 CG2 ILE A 411 -3.113 6.658 2.523 1.00 0.00 C ATOM 1204 CD1 ILE A 411 -4.849 5.279 4.750 1.00 0.00 C ATOM 0 H ILE A 411 -6.786 8.290 2.969 1.00 0.00 H new ATOM 0 HA ILE A 411 -4.015 9.092 3.021 1.00 0.00 H new ATOM 0 HB ILE A 411 -5.234 6.440 2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 411 -4.406 7.370 4.953 1.00 0.00 H new ATOM 0 HG13 ILE A 411 -6.038 7.034 4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 411 -2.960 5.609 2.775 1.00 0.00 H new ATOM 0 HG22 ILE A 411 -2.904 6.811 1.464 1.00 0.00 H new ATOM 0 HG23 ILE A 411 -2.441 7.276 3.118 1.00 0.00 H new ATOM 0 HD11 ILE A 411 -5.175 5.191 5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 411 -5.463 4.634 4.121 1.00 0.00 H new ATOM 0 HD13 ILE A 411 -3.805 4.976 4.671 1.00 0.00 H new ATOM 1216 N VAL A 412 -5.561 8.736 0.111 1.00 0.00 N ATOM 1217 CA VAL A 412 -5.430 9.007 -1.319 1.00 0.00 C ATOM 1218 C VAL A 412 -4.984 10.452 -1.561 1.00 0.00 C ATOM 1219 O VAL A 412 -4.034 10.689 -2.305 1.00 0.00 O ATOM 1220 CB VAL A 412 -6.759 8.720 -2.059 1.00 0.00 C ATOM 1221 CG1 VAL A 412 -6.743 9.214 -3.510 1.00 0.00 C ATOM 1222 CG2 VAL A 412 -7.105 7.228 -2.014 1.00 0.00 C ATOM 0 H VAL A 412 -6.506 8.475 0.394 1.00 0.00 H new ATOM 0 HA VAL A 412 -4.665 8.340 -1.718 1.00 0.00 H new ATOM 0 HB VAL A 412 -7.531 9.280 -1.532 1.00 0.00 H new ATOM 0 HG11 VAL A 412 -7.699 8.987 -3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 412 -6.577 10.291 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 412 -5.942 8.715 -4.055 1.00 0.00 H new ATOM 0 HG21 VAL A 412 -8.043 7.056 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 412 -6.310 6.656 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 412 -7.208 6.910 -0.977 1.00 0.00 H new ATOM 1232 N GLU A 413 -5.705 11.424 -1.005 1.00 0.00 N ATOM 1233 CA GLU A 413 -5.421 12.832 -1.244 1.00 0.00 C ATOM 1234 C GLU A 413 -4.012 13.175 -0.756 1.00 0.00 C ATOM 1235 O GLU A 413 -3.265 13.850 -1.463 1.00 0.00 O ATOM 1236 CB GLU A 413 -6.558 13.713 -0.701 1.00 0.00 C ATOM 1237 CG GLU A 413 -6.783 13.604 0.810 1.00 0.00 C ATOM 1238 CD GLU A 413 -8.184 14.080 1.220 1.00 0.00 C ATOM 1239 OE1 GLU A 413 -9.119 13.244 1.185 1.00 0.00 O ATOM 1240 OE2 GLU A 413 -8.316 15.273 1.570 1.00 0.00 O ATOM 0 H GLU A 413 -6.495 11.257 -0.382 1.00 0.00 H new ATOM 0 HA GLU A 413 -5.404 13.049 -2.312 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -6.345 14.753 -0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.483 13.446 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -6.646 12.569 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -6.032 14.197 1.332 1.00 0.00 H new ATOM 1247 N SER A 414 -3.586 12.619 0.383 1.00 0.00 N ATOM 1248 CA SER A 414 -2.252 12.862 0.915 1.00 0.00 C ATOM 1249 C SER A 414 -1.176 12.065 0.161 1.00 0.00 C ATOM 1250 O SER A 414 -0.015 12.485 0.095 1.00 0.00 O ATOM 1251 CB SER A 414 -2.263 12.526 2.393 1.00 0.00 C ATOM 1252 OG SER A 414 -1.267 13.268 3.083 1.00 0.00 O ATOM 0 H SER A 414 -4.155 11.994 0.954 1.00 0.00 H new ATOM 0 HA SER A 414 -1.994 13.912 0.777 1.00 0.00 H new ATOM 0 HB2 SER A 414 -3.244 12.746 2.814 1.00 0.00 H new ATOM 0 HB3 SER A 414 -2.089 11.459 2.530 1.00 0.00 H new ATOM 0 HG SER A 414 -1.531 13.377 4.020 1.00 0.00 H new ATOM 1258 N LEU A 415 -1.554 10.912 -0.395 1.00 0.00 N ATOM 1259 CA LEU A 415 -0.707 10.110 -1.288 1.00 0.00 C ATOM 1260 C LEU A 415 -0.189 10.953 -2.435 1.00 0.00 C ATOM 1261 O LEU A 415 0.966 10.748 -2.803 1.00 0.00 O ATOM 1262 CB LEU A 415 -1.397 8.863 -1.891 1.00 0.00 C ATOM 1263 CG LEU A 415 -1.041 7.532 -1.230 1.00 0.00 C ATOM 1264 CD1 LEU A 415 -1.972 6.417 -1.717 1.00 0.00 C ATOM 1265 CD2 LEU A 415 0.377 7.095 -1.608 1.00 0.00 C ATOM 0 H LEU A 415 -2.473 10.500 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 415 0.102 9.758 -0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -2.476 9.002 -1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -1.142 8.804 -2.949 1.00 0.00 H new ATOM 0 HG LEU A 415 -1.133 7.685 -0.155 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -1.700 5.479 -1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -3.003 6.669 -1.467 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -1.876 6.309 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 415 0.606 6.145 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 415 0.445 6.978 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 415 1.090 7.851 -1.279 1.00 0.00 H new