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 350 LYS NZ :NH3+ -133:sc= 1.15 (180deg=0.308) USER MOD Set 1.2: A 414 SER OG : rot 140:sc= -0.148 USER MOD Set 2.1: A 366 TYR OH : rot -111:sc= 0.891 USER MOD Set 2.2: A 391 GLN :FLIP amide:sc= 0.919 F(o=0.57,f=1.8) USER MOD Set 3.1: A 353 ASN : amide:sc= 1.54 K(o=2.8,f=-5.1!) USER MOD Set 3.2: A 356 THR OG1 : rot 95:sc= 1.27 USER MOD Single : A 337 TYR OH : rot -45:sc= -2.49! USER MOD Single : A 338 SER OG : rot 144:sc= 0.479 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 344 LYS NZ :NH3+ -136:sc= 1.4 (180deg=0.175!) USER MOD Single : A 359 HIS : no HE2:sc= 0.321 K(o=0.32,f=-1.5) USER MOD Single : A 367 GLN : amide:sc= 1.12 K(o=1.1,f=-0.0063) USER MOD Single : A 370 HIS : no HD1:sc= -0.197 K(o=-0.2,f=-0.79) USER MOD Single : A 373 SER OG : rot -34:sc= 0.0926 USER MOD Single : A 375 THR OG1 : rot -40:sc= 0.356 USER MOD Single : A 376 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.9!) USER MOD Single : A 379 CYS SG : rot 25:sc= 0.568 USER MOD Single : A 387 SER OG : rot 180:sc= 0 USER MOD Single : A 393 SER OG : rot 180:sc= -0.125 USER MOD Single : A 395 THR OG1 : rot 139:sc= 1.24 USER MOD Single : A 407 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 336 4.059 2.394 -11.940 1.00 0.00 N ATOM 25 CA LEU A 336 3.508 1.757 -10.761 1.00 0.00 C ATOM 26 C LEU A 336 3.693 2.543 -9.477 1.00 0.00 C ATOM 27 O LEU A 336 4.367 3.570 -9.419 1.00 0.00 O ATOM 28 CB LEU A 336 4.037 0.330 -10.626 1.00 0.00 C ATOM 29 CG LEU A 336 3.722 -0.578 -11.817 1.00 0.00 C ATOM 30 CD1 LEU A 336 3.997 -2.004 -11.365 1.00 0.00 C ATOM 31 CD2 LEU A 336 2.275 -0.444 -12.309 1.00 0.00 C ATOM 0 HA LEU A 336 2.429 1.727 -10.915 1.00 0.00 H new ATOM 0 HB2 LEU A 336 5.118 0.368 -10.490 1.00 0.00 H new ATOM 0 HB3 LEU A 336 3.618 -0.116 -9.724 1.00 0.00 H new ATOM 0 HG LEU A 336 4.346 -0.290 -12.663 1.00 0.00 H new ATOM 0 HD11 LEU A 336 3.786 -2.692 -12.184 1.00 0.00 H new ATOM 0 HD12 LEU A 336 5.043 -2.098 -11.072 1.00 0.00 H new ATOM 0 HD13 LEU A 336 3.359 -2.245 -10.515 1.00 0.00 H new ATOM 0 HD21 LEU A 336 2.115 -1.113 -13.154 1.00 0.00 H new ATOM 0 HD22 LEU A 336 1.591 -0.708 -11.503 1.00 0.00 H new ATOM 0 HD23 LEU A 336 2.090 0.584 -12.620 1.00 0.00 H new ATOM 43 N TYR A 337 3.202 1.952 -8.395 1.00 0.00 N ATOM 44 CA TYR A 337 3.309 2.523 -7.074 1.00 0.00 C ATOM 45 C TYR A 337 4.773 2.511 -6.617 1.00 0.00 C ATOM 46 O TYR A 337 5.219 3.501 -6.033 1.00 0.00 O ATOM 47 CB TYR A 337 2.412 1.693 -6.155 1.00 0.00 C ATOM 48 CG TYR A 337 1.938 2.437 -4.935 1.00 0.00 C ATOM 49 CD1 TYR A 337 2.840 2.753 -3.908 1.00 0.00 C ATOM 50 CD2 TYR A 337 0.595 2.840 -4.843 1.00 0.00 C ATOM 51 CE1 TYR A 337 2.395 3.460 -2.783 1.00 0.00 C ATOM 52 CE2 TYR A 337 0.157 3.575 -3.734 1.00 0.00 C ATOM 53 CZ TYR A 337 1.040 3.826 -2.667 1.00 0.00 C ATOM 54 OH TYR A 337 0.560 4.334 -1.510 1.00 0.00 O ATOM 0 H TYR A 337 2.716 1.056 -8.418 1.00 0.00 H new ATOM 0 HA TYR A 337 2.986 3.564 -7.056 1.00 0.00 H new ATOM 0 HB2 TYR A 337 1.545 1.352 -6.721 1.00 0.00 H new ATOM 0 HB3 TYR A 337 2.956 0.803 -5.838 1.00 0.00 H new ATOM 0 HD1 TYR A 337 3.874 2.452 -3.984 1.00 0.00 H new ATOM 0 HD2 TYR A 337 -0.100 2.583 -5.628 1.00 0.00 H new ATOM 0 HE1 TYR A 337 3.093 3.725 -2.003 1.00 0.00 H new ATOM 0 HE2 TYR A 337 -0.856 3.948 -3.698 1.00 0.00 H new ATOM 0 HH TYR A 337 0.891 3.801 -0.757 1.00 0.00 H new ATOM 64 N SER A 338 5.537 1.464 -6.949 1.00 0.00 N ATOM 65 CA SER A 338 6.972 1.373 -6.688 1.00 0.00 C ATOM 66 C SER A 338 7.781 2.327 -7.592 1.00 0.00 C ATOM 67 O SER A 338 8.973 2.517 -7.373 1.00 0.00 O ATOM 68 CB SER A 338 7.381 -0.101 -6.868 1.00 0.00 C ATOM 69 OG SER A 338 8.569 -0.459 -6.204 1.00 0.00 O ATOM 0 H SER A 338 5.163 0.639 -7.417 1.00 0.00 H new ATOM 0 HA SER A 338 7.194 1.693 -5.670 1.00 0.00 H new ATOM 0 HB2 SER A 338 6.572 -0.737 -6.508 1.00 0.00 H new ATOM 0 HB3 SER A 338 7.498 -0.306 -7.932 1.00 0.00 H new ATOM 0 HG SER A 338 8.491 -1.376 -5.866 1.00 0.00 H new ATOM 75 N SER A 339 7.163 2.967 -8.600 1.00 0.00 N ATOM 76 CA SER A 339 7.885 3.853 -9.507 1.00 0.00 C ATOM 77 C SER A 339 8.494 5.040 -8.756 1.00 0.00 C ATOM 78 O SER A 339 9.555 5.497 -9.167 1.00 0.00 O ATOM 79 CB SER A 339 6.977 4.333 -10.649 1.00 0.00 C ATOM 80 OG SER A 339 7.718 4.956 -11.685 1.00 0.00 O ATOM 0 H SER A 339 6.166 2.882 -8.800 1.00 0.00 H new ATOM 0 HA SER A 339 8.703 3.282 -9.945 1.00 0.00 H new ATOM 0 HB2 SER A 339 6.426 3.485 -11.056 1.00 0.00 H new ATOM 0 HB3 SER A 339 6.240 5.034 -10.257 1.00 0.00 H new ATOM 0 HG SER A 339 7.108 5.247 -12.394 1.00 0.00 H new ATOM 86 N LEU A 340 7.801 5.620 -7.768 1.00 0.00 N ATOM 87 CA LEU A 340 8.368 6.445 -6.707 1.00 0.00 C ATOM 88 C LEU A 340 9.363 5.643 -5.848 1.00 0.00 C ATOM 89 O LEU A 340 8.891 4.879 -5.006 1.00 0.00 O ATOM 90 CB LEU A 340 7.223 7.042 -5.860 1.00 0.00 C ATOM 91 CG LEU A 340 7.249 8.571 -5.879 1.00 0.00 C ATOM 92 CD1 LEU A 340 5.974 9.115 -5.224 1.00 0.00 C ATOM 93 CD2 LEU A 340 8.483 9.134 -5.156 1.00 0.00 C ATOM 0 H LEU A 340 6.789 5.520 -7.688 1.00 0.00 H new ATOM 0 HA LEU A 340 8.934 7.264 -7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 340 6.265 6.689 -6.241 1.00 0.00 H new ATOM 0 HB3 LEU A 340 7.307 6.689 -4.832 1.00 0.00 H new ATOM 0 HG LEU A 340 7.301 8.890 -6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 340 5.994 10.205 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 340 5.103 8.761 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 340 5.918 8.767 -4.193 1.00 0.00 H new ATOM 0 HD21 LEU A 340 8.461 10.223 -5.194 1.00 0.00 H new ATOM 0 HD22 LEU A 340 8.476 8.807 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 340 9.388 8.772 -5.645 1.00 0.00 H new ATOM 152 N LYS A 344 8.848 9.965 -0.270 1.00 0.00 N ATOM 153 CA LYS A 344 7.385 10.066 -0.364 1.00 0.00 C ATOM 154 C LYS A 344 6.746 8.737 0.058 1.00 0.00 C ATOM 155 O LYS A 344 5.693 8.756 0.674 1.00 0.00 O ATOM 156 CB LYS A 344 6.904 10.568 -1.742 1.00 0.00 C ATOM 157 CG LYS A 344 5.379 10.827 -1.845 1.00 0.00 C ATOM 158 CD LYS A 344 4.869 11.994 -0.976 1.00 0.00 C ATOM 159 CE LYS A 344 3.333 12.123 -1.002 1.00 0.00 C ATOM 160 NZ LYS A 344 2.833 13.216 -0.136 1.00 0.00 N ATOM 0 HA LYS A 344 7.049 10.834 0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 344 7.432 11.491 -1.981 1.00 0.00 H new ATOM 0 HB3 LYS A 344 7.185 9.835 -2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 344 5.127 11.029 -2.886 1.00 0.00 H new ATOM 0 HG3 LYS A 344 4.849 9.919 -1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 344 5.201 11.849 0.052 1.00 0.00 H new ATOM 0 HD3 LYS A 344 5.314 12.925 -1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 344 3.005 12.299 -2.027 1.00 0.00 H new ATOM 0 HE3 LYS A 344 2.889 11.180 -0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 344 2.008 12.882 0.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 344 3.583 13.507 0.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 344 2.556 14.027 -0.725 1.00 0.00 H new ATOM 174 N ARG A 345 7.314 7.572 -0.283 1.00 0.00 N ATOM 175 CA ARG A 345 6.794 6.294 0.217 1.00 0.00 C ATOM 176 C ARG A 345 6.836 6.200 1.742 1.00 0.00 C ATOM 177 O ARG A 345 5.931 5.614 2.316 1.00 0.00 O ATOM 178 CB ARG A 345 7.528 5.091 -0.407 1.00 0.00 C ATOM 179 CG ARG A 345 7.225 4.880 -1.898 1.00 0.00 C ATOM 180 CD ARG A 345 5.765 4.493 -2.157 1.00 0.00 C ATOM 181 NE ARG A 345 5.331 4.867 -3.512 1.00 0.00 N ATOM 182 CZ ARG A 345 4.478 5.842 -3.855 1.00 0.00 C ATOM 183 NH1 ARG A 345 4.077 6.763 -2.979 1.00 0.00 N ATOM 184 NH2 ARG A 345 4.025 5.877 -5.100 1.00 0.00 N ATOM 0 H ARG A 345 8.125 7.489 -0.896 1.00 0.00 H new ATOM 0 HA ARG A 345 5.749 6.259 -0.090 1.00 0.00 H new ATOM 0 HB2 ARG A 345 8.602 5.228 -0.281 1.00 0.00 H new ATOM 0 HB3 ARG A 345 7.256 4.188 0.140 1.00 0.00 H new ATOM 0 HG2 ARG A 345 7.456 5.794 -2.444 1.00 0.00 H new ATOM 0 HG3 ARG A 345 7.878 4.100 -2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 345 5.645 3.418 -2.021 1.00 0.00 H new ATOM 0 HD3 ARG A 345 5.124 4.981 -1.423 1.00 0.00 H new ATOM 0 HE ARG A 345 5.725 4.321 -4.279 1.00 0.00 H new ATOM 0 HH11 ARG A 345 4.420 6.737 -2.019 1.00 0.00 H new ATOM 0 HH12 ARG A 345 3.427 7.494 -3.269 1.00 0.00 H new ATOM 0 HH21 ARG A 345 4.327 5.172 -5.772 1.00 0.00 H new ATOM 0 HH22 ARG A 345 3.375 6.609 -5.386 1.00 0.00 H new ATOM 198 N GLU A 346 7.850 6.745 2.393 1.00 0.00 N ATOM 199 CA GLU A 346 7.961 6.758 3.850 1.00 0.00 C ATOM 200 C GLU A 346 6.929 7.734 4.432 1.00 0.00 C ATOM 201 O GLU A 346 6.220 7.429 5.386 1.00 0.00 O ATOM 202 CB GLU A 346 9.426 7.037 4.233 1.00 0.00 C ATOM 203 CG GLU A 346 10.368 6.004 3.569 1.00 0.00 C ATOM 204 CD GLU A 346 11.853 6.266 3.819 1.00 0.00 C ATOM 205 OE1 GLU A 346 12.404 7.168 3.145 1.00 0.00 O ATOM 206 OE2 GLU A 346 12.438 5.517 4.636 1.00 0.00 O ATOM 0 H GLU A 346 8.633 7.198 1.922 1.00 0.00 H new ATOM 0 HA GLU A 346 7.718 5.792 4.292 1.00 0.00 H new ATOM 0 HB2 GLU A 346 9.704 8.044 3.921 1.00 0.00 H new ATOM 0 HB3 GLU A 346 9.539 6.996 5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 346 10.118 5.009 3.938 1.00 0.00 H new ATOM 0 HG3 GLU A 346 10.186 6.000 2.494 1.00 0.00 H new ATOM 213 N GLU A 347 6.750 8.895 3.808 1.00 0.00 N ATOM 214 CA GLU A 347 5.641 9.798 4.089 1.00 0.00 C ATOM 215 C GLU A 347 4.259 9.165 3.802 1.00 0.00 C ATOM 216 O GLU A 347 3.244 9.629 4.315 1.00 0.00 O ATOM 217 CB GLU A 347 5.882 11.102 3.321 1.00 0.00 C ATOM 218 CG GLU A 347 5.102 12.291 3.901 1.00 0.00 C ATOM 219 CD GLU A 347 4.174 12.891 2.854 1.00 0.00 C ATOM 220 OE1 GLU A 347 4.675 13.422 1.846 1.00 0.00 O ATOM 221 OE2 GLU A 347 2.940 12.783 3.020 1.00 0.00 O ATOM 0 H GLU A 347 7.380 9.238 3.083 1.00 0.00 H new ATOM 0 HA GLU A 347 5.611 10.014 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 347 6.947 11.333 3.332 1.00 0.00 H new ATOM 0 HB3 GLU A 347 5.597 10.961 2.278 1.00 0.00 H new ATOM 0 HG2 GLU A 347 4.521 11.965 4.764 1.00 0.00 H new ATOM 0 HG3 GLU A 347 5.799 13.051 4.254 1.00 0.00 H new ATOM 228 N VAL A 348 4.184 8.106 2.994 1.00 0.00 N ATOM 229 CA VAL A 348 3.002 7.265 2.843 1.00 0.00 C ATOM 230 C VAL A 348 2.899 6.230 3.968 1.00 0.00 C ATOM 231 O VAL A 348 1.778 5.896 4.323 1.00 0.00 O ATOM 232 CB VAL A 348 2.966 6.658 1.433 1.00 0.00 C ATOM 233 CG1 VAL A 348 1.951 5.530 1.237 1.00 0.00 C ATOM 234 CG2 VAL A 348 2.662 7.717 0.356 1.00 0.00 C ATOM 0 H VAL A 348 4.966 7.804 2.413 1.00 0.00 H new ATOM 0 HA VAL A 348 2.107 7.879 2.943 1.00 0.00 H new ATOM 0 HB VAL A 348 3.969 6.244 1.324 1.00 0.00 H new ATOM 0 HG11 VAL A 348 2.003 5.168 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 348 2.179 4.713 1.921 1.00 0.00 H new ATOM 0 HG13 VAL A 348 0.948 5.904 1.440 1.00 0.00 H new ATOM 0 HG21 VAL A 348 2.646 7.243 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 348 1.691 8.171 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 348 3.433 8.487 0.375 1.00 0.00 H new ATOM 244 N GLU A 349 3.988 5.749 4.572 1.00 0.00 N ATOM 245 CA GLU A 349 3.923 4.948 5.814 1.00 0.00 C ATOM 246 C GLU A 349 3.201 5.704 6.936 1.00 0.00 C ATOM 247 O GLU A 349 2.533 5.100 7.774 1.00 0.00 O ATOM 248 CB GLU A 349 5.296 4.471 6.316 1.00 0.00 C ATOM 249 CG GLU A 349 6.092 3.639 5.305 1.00 0.00 C ATOM 250 CD GLU A 349 7.440 3.222 5.880 1.00 0.00 C ATOM 251 OE1 GLU A 349 8.292 4.120 6.037 1.00 0.00 O ATOM 252 OE2 GLU A 349 7.662 2.009 6.131 1.00 0.00 O ATOM 0 H GLU A 349 4.935 5.897 4.224 1.00 0.00 H new ATOM 0 HA GLU A 349 3.351 4.060 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 349 5.888 5.342 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 349 5.152 3.879 7.220 1.00 0.00 H new ATOM 0 HG2 GLU A 349 5.521 2.753 5.029 1.00 0.00 H new ATOM 0 HG3 GLU A 349 6.245 4.217 4.393 1.00 0.00 H new ATOM 259 N LYS A 350 3.266 7.037 6.912 1.00 0.00 N ATOM 260 CA LYS A 350 2.484 7.890 7.807 1.00 0.00 C ATOM 261 C LYS A 350 0.991 7.796 7.455 1.00 0.00 C ATOM 262 O LYS A 350 0.165 7.860 8.361 1.00 0.00 O ATOM 263 CB LYS A 350 3.037 9.324 7.651 1.00 0.00 C ATOM 264 CG LYS A 350 2.254 10.501 8.266 1.00 0.00 C ATOM 265 CD LYS A 350 2.251 11.754 7.354 1.00 0.00 C ATOM 266 CE LYS A 350 1.327 11.539 6.140 1.00 0.00 C ATOM 267 NZ LYS A 350 1.334 12.630 5.131 1.00 0.00 N ATOM 0 H LYS A 350 3.864 7.556 6.269 1.00 0.00 H new ATOM 0 HA LYS A 350 2.571 7.576 8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 350 4.040 9.338 8.078 1.00 0.00 H new ATOM 0 HB3 LYS A 350 3.142 9.521 6.584 1.00 0.00 H new ATOM 0 HG2 LYS A 350 1.226 10.190 8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 350 2.691 10.759 9.231 1.00 0.00 H new ATOM 0 HD2 LYS A 350 1.918 12.623 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 350 3.265 11.965 7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 350 1.613 10.610 5.647 1.00 0.00 H new ATOM 0 HE3 LYS A 350 0.307 11.407 6.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 350 0.356 12.874 4.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 350 1.808 13.467 5.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 350 1.843 12.314 4.281 1.00 0.00 H new ATOM 281 N LEU A 351 0.629 7.713 6.170 1.00 0.00 N ATOM 282 CA LEU A 351 -0.764 7.660 5.725 1.00 0.00 C ATOM 283 C LEU A 351 -1.372 6.263 5.822 1.00 0.00 C ATOM 284 O LEU A 351 -2.346 6.059 6.540 1.00 0.00 O ATOM 285 CB LEU A 351 -0.884 8.106 4.261 1.00 0.00 C ATOM 286 CG LEU A 351 -0.406 9.516 3.943 1.00 0.00 C ATOM 287 CD1 LEU A 351 -0.223 9.681 2.431 1.00 0.00 C ATOM 288 CD2 LEU A 351 -1.409 10.512 4.535 1.00 0.00 C ATOM 0 H LEU A 351 1.302 7.681 5.404 1.00 0.00 H new ATOM 0 HA LEU A 351 -1.306 8.330 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 351 -0.321 7.407 3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 351 -1.929 8.024 3.963 1.00 0.00 H new ATOM 0 HG LEU A 351 0.568 9.709 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 351 0.119 10.693 2.214 1.00 0.00 H new ATOM 0 HD12 LEU A 351 0.516 8.964 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 351 -1.174 9.504 1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 351 -1.083 11.529 4.317 1.00 0.00 H new ATOM 0 HD22 LEU A 351 -2.392 10.344 4.095 1.00 0.00 H new ATOM 0 HD23 LEU A 351 -1.466 10.373 5.615 1.00 0.00 H new ATOM 300 N LEU A 352 -0.801 5.303 5.082 1.00 0.00 N ATOM 301 CA LEU A 352 -1.114 3.878 5.045 1.00 0.00 C ATOM 302 C LEU A 352 -0.535 3.309 6.344 1.00 0.00 C ATOM 303 O LEU A 352 0.421 2.546 6.309 1.00 0.00 O ATOM 304 CB LEU A 352 -0.557 3.202 3.753 1.00 0.00 C ATOM 305 CG LEU A 352 -1.176 3.628 2.390 1.00 0.00 C ATOM 306 CD1 LEU A 352 -0.594 2.891 1.178 1.00 0.00 C ATOM 307 CD2 LEU A 352 -2.672 3.358 2.275 1.00 0.00 C ATOM 0 H LEU A 352 -0.042 5.530 4.439 1.00 0.00 H new ATOM 0 HA LEU A 352 -2.185 3.684 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 352 0.515 3.394 3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 352 -0.684 2.124 3.857 1.00 0.00 H new ATOM 0 HG LEU A 352 -0.943 4.693 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 352 -1.079 3.246 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 352 0.477 3.082 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 352 -0.766 1.820 1.286 1.00 0.00 H new ATOM 0 HD21 LEU A 352 -3.026 3.683 1.297 1.00 0.00 H new ATOM 0 HD22 LEU A 352 -2.859 2.291 2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 352 -3.202 3.907 3.053 1.00 0.00 H new ATOM 319 N ASN A 353 -1.033 3.792 7.487 1.00 0.00 N ATOM 320 CA ASN A 353 -0.453 3.589 8.810 1.00 0.00 C ATOM 321 C ASN A 353 -0.479 2.114 9.213 1.00 0.00 C ATOM 322 O ASN A 353 -1.173 1.301 8.597 1.00 0.00 O ATOM 323 CB ASN A 353 -1.177 4.458 9.866 1.00 0.00 C ATOM 324 CG ASN A 353 -2.268 3.696 10.626 1.00 0.00 C ATOM 325 OD1 ASN A 353 -3.249 3.245 10.050 1.00 0.00 O ATOM 326 ND2 ASN A 353 -2.112 3.484 11.923 1.00 0.00 N ATOM 0 H ASN A 353 -1.883 4.355 7.512 1.00 0.00 H new ATOM 0 HA ASN A 353 0.590 3.901 8.764 1.00 0.00 H new ATOM 0 HB2 ASN A 353 -0.445 4.839 10.578 1.00 0.00 H new ATOM 0 HB3 ASN A 353 -1.622 5.322 9.373 1.00 0.00 H new ATOM 0 HD21 ASN A 353 -2.808 2.946 12.439 1.00 0.00 H new ATOM 0 HD22 ASN A 353 -1.296 3.858 12.406 1.00 0.00 H new ATOM 333 N GLY A 354 0.213 1.799 10.316 1.00 0.00 N ATOM 334 CA GLY A 354 0.208 0.505 10.991 1.00 0.00 C ATOM 335 C GLY A 354 -1.144 0.178 11.627 1.00 0.00 C ATOM 336 O GLY A 354 -1.248 0.104 12.845 1.00 0.00 O ATOM 0 H GLY A 354 0.819 2.476 10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 354 0.467 -0.275 10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 354 0.979 0.498 11.762 1.00 0.00 H new ATOM 340 N ASP A 355 -2.136 -0.057 10.776 1.00 0.00 N ATOM 341 CA ASP A 355 -3.416 -0.741 10.939 1.00 0.00 C ATOM 342 C ASP A 355 -4.110 -0.612 9.589 1.00 0.00 C ATOM 343 O ASP A 355 -4.367 -1.612 8.920 1.00 0.00 O ATOM 344 CB ASP A 355 -4.338 -0.162 12.021 1.00 0.00 C ATOM 345 CG ASP A 355 -5.711 -0.838 11.885 1.00 0.00 C ATOM 346 OD1 ASP A 355 -6.535 -0.334 11.087 1.00 0.00 O ATOM 347 OD2 ASP A 355 -5.894 -1.908 12.499 1.00 0.00 O ATOM 0 H ASP A 355 -2.047 0.277 9.816 1.00 0.00 H new ATOM 0 HA ASP A 355 -3.218 -1.763 11.261 1.00 0.00 H new ATOM 0 HB2 ASP A 355 -3.922 -0.341 13.012 1.00 0.00 H new ATOM 0 HB3 ASP A 355 -4.431 0.918 11.904 1.00 0.00 H new ATOM 352 N THR A 356 -4.332 0.629 9.144 1.00 0.00 N ATOM 353 CA THR A 356 -5.109 0.919 7.953 1.00 0.00 C ATOM 354 C THR A 356 -4.519 0.199 6.744 1.00 0.00 C ATOM 355 O THR A 356 -5.273 -0.280 5.892 1.00 0.00 O ATOM 356 CB THR A 356 -5.168 2.437 7.713 1.00 0.00 C ATOM 357 OG1 THR A 356 -5.639 3.126 8.850 1.00 0.00 O ATOM 358 CG2 THR A 356 -6.119 2.770 6.568 1.00 0.00 C ATOM 0 H THR A 356 -3.971 1.461 9.610 1.00 0.00 H new ATOM 0 HA THR A 356 -6.126 0.556 8.100 1.00 0.00 H new ATOM 0 HB THR A 356 -4.150 2.747 7.479 1.00 0.00 H new ATOM 0 HG1 THR A 356 -4.877 3.441 9.380 1.00 0.00 H new ATOM 0 HG21 THR A 356 -6.144 3.849 6.418 1.00 0.00 H new ATOM 0 HG22 THR A 356 -5.774 2.284 5.655 1.00 0.00 H new ATOM 0 HG23 THR A 356 -7.120 2.415 6.812 1.00 0.00 H new ATOM 366 N TRP A 357 -3.184 0.139 6.638 1.00 0.00 N ATOM 367 CA TRP A 357 -2.549 -0.622 5.580 1.00 0.00 C ATOM 368 C TRP A 357 -3.098 -2.053 5.540 1.00 0.00 C ATOM 369 O TRP A 357 -3.489 -2.463 4.464 1.00 0.00 O ATOM 370 CB TRP A 357 -1.022 -0.571 5.624 1.00 0.00 C ATOM 371 CG TRP A 357 -0.367 -1.674 6.408 1.00 0.00 C ATOM 372 CD1 TRP A 357 -0.032 -1.639 7.714 1.00 0.00 C ATOM 373 CD2 TRP A 357 -0.099 -3.043 5.970 1.00 0.00 C ATOM 374 NE1 TRP A 357 0.370 -2.893 8.131 1.00 0.00 N ATOM 375 CE2 TRP A 357 0.322 -3.800 7.095 1.00 0.00 C ATOM 376 CE3 TRP A 357 -0.258 -3.755 4.761 1.00 0.00 C ATOM 377 CZ2 TRP A 357 0.561 -5.174 6.992 1.00 0.00 C ATOM 378 CZ3 TRP A 357 0.053 -5.123 4.645 1.00 0.00 C ATOM 379 CH2 TRP A 357 0.461 -5.833 5.776 1.00 0.00 C ATOM 0 H TRP A 357 -2.537 0.608 7.272 1.00 0.00 H new ATOM 0 HA TRP A 357 -2.810 -0.140 4.638 1.00 0.00 H new ATOM 0 HB2 TRP A 357 -0.644 -0.599 4.602 1.00 0.00 H new ATOM 0 HB3 TRP A 357 -0.718 0.385 6.050 1.00 0.00 H new ATOM 0 HD1 TRP A 357 -0.072 -0.761 8.341 1.00 0.00 H new ATOM 0 HE1 TRP A 357 0.664 -3.118 9.081 1.00 0.00 H new ATOM 0 HE3 TRP A 357 -0.632 -3.231 3.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 357 0.829 -5.733 7.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 357 -0.023 -5.619 3.689 1.00 0.00 H new ATOM 0 HH2 TRP A 357 0.696 -6.885 5.704 1.00 0.00 H new ATOM 390 N ARG A 358 -3.077 -2.832 6.639 1.00 0.00 N ATOM 391 CA ARG A 358 -3.699 -4.161 6.758 1.00 0.00 C ATOM 392 C ARG A 358 -5.076 -4.204 6.110 1.00 0.00 C ATOM 393 O ARG A 358 -5.341 -5.073 5.281 1.00 0.00 O ATOM 394 CB ARG A 358 -3.739 -4.693 8.210 1.00 0.00 C ATOM 395 CG ARG A 358 -2.812 -5.894 8.471 1.00 0.00 C ATOM 396 CD ARG A 358 -3.230 -6.581 9.783 1.00 0.00 C ATOM 397 NE ARG A 358 -2.263 -7.586 10.267 1.00 0.00 N ATOM 398 CZ ARG A 358 -2.225 -8.898 9.980 1.00 0.00 C ATOM 399 NH1 ARG A 358 -2.962 -9.421 9.009 1.00 0.00 N ATOM 400 NH2 ARG A 358 -1.437 -9.695 10.689 1.00 0.00 N ATOM 0 H ARG A 358 -2.609 -2.541 7.497 1.00 0.00 H new ATOM 0 HA ARG A 358 -3.049 -4.840 6.205 1.00 0.00 H new ATOM 0 HB2 ARG A 358 -3.466 -3.884 8.888 1.00 0.00 H new ATOM 0 HB3 ARG A 358 -4.763 -4.980 8.451 1.00 0.00 H new ATOM 0 HG2 ARG A 358 -2.870 -6.600 7.643 1.00 0.00 H new ATOM 0 HG3 ARG A 358 -1.776 -5.562 8.535 1.00 0.00 H new ATOM 0 HD2 ARG A 358 -3.365 -5.821 10.553 1.00 0.00 H new ATOM 0 HD3 ARG A 358 -4.197 -7.062 9.637 1.00 0.00 H new ATOM 0 HE ARG A 358 -1.536 -7.243 10.895 1.00 0.00 H new ATOM 0 HH11 ARG A 358 -3.578 -8.823 8.458 1.00 0.00 H new ATOM 0 HH12 ARG A 358 -2.913 -10.421 8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 358 -0.868 -9.310 11.443 1.00 0.00 H new ATOM 0 HH22 ARG A 358 -1.400 -10.693 10.480 1.00 0.00 H new ATOM 414 N HIS A 359 -5.957 -3.295 6.529 1.00 0.00 N ATOM 415 CA HIS A 359 -7.329 -3.247 6.044 1.00 0.00 C ATOM 416 C HIS A 359 -7.356 -3.060 4.523 1.00 0.00 C ATOM 417 O HIS A 359 -8.080 -3.769 3.825 1.00 0.00 O ATOM 418 CB HIS A 359 -8.120 -2.182 6.817 1.00 0.00 C ATOM 419 CG HIS A 359 -8.424 -2.640 8.225 1.00 0.00 C ATOM 420 ND1 HIS A 359 -7.836 -2.213 9.400 1.00 0.00 N ATOM 421 CD2 HIS A 359 -9.301 -3.640 8.553 1.00 0.00 C ATOM 422 CE1 HIS A 359 -8.350 -2.942 10.404 1.00 0.00 C ATOM 423 NE2 HIS A 359 -9.249 -3.828 9.936 1.00 0.00 N ATOM 0 H HIS A 359 -5.736 -2.573 7.214 1.00 0.00 H new ATOM 0 HA HIS A 359 -7.827 -4.198 6.233 1.00 0.00 H new ATOM 0 HB2 HIS A 359 -7.549 -1.254 6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 359 -9.051 -1.966 6.293 1.00 0.00 H new ATOM 0 HD1 HIS A 359 -7.137 -1.476 9.489 1.00 0.00 H new ATOM 0 HD2 HIS A 359 -9.924 -4.188 7.862 1.00 0.00 H new ATOM 0 HE1 HIS A 359 -8.079 -2.832 11.444 1.00 0.00 H new ATOM 431 N LEU A 360 -6.530 -2.160 3.985 1.00 0.00 N ATOM 432 CA LEU A 360 -6.341 -2.006 2.551 1.00 0.00 C ATOM 433 C LEU A 360 -5.694 -3.236 1.909 1.00 0.00 C ATOM 434 O LEU A 360 -6.074 -3.582 0.799 1.00 0.00 O ATOM 435 CB LEU A 360 -5.510 -0.733 2.354 1.00 0.00 C ATOM 436 CG LEU A 360 -4.747 -0.659 1.020 1.00 0.00 C ATOM 437 CD1 LEU A 360 -5.690 -0.328 -0.135 1.00 0.00 C ATOM 438 CD2 LEU A 360 -3.657 0.394 1.093 1.00 0.00 C ATOM 0 H LEU A 360 -5.971 -1.514 4.542 1.00 0.00 H new ATOM 0 HA LEU A 360 -7.303 -1.915 2.046 1.00 0.00 H new ATOM 0 HB2 LEU A 360 -6.171 0.130 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 360 -4.793 -0.654 3.171 1.00 0.00 H new ATOM 0 HG LEU A 360 -4.299 -1.636 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 360 -5.124 -0.282 -1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 360 -6.455 -1.101 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 360 -6.166 0.636 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 360 -3.126 0.435 0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 360 -4.104 1.366 1.301 1.00 0.00 H new ATOM 0 HD23 LEU A 360 -2.957 0.139 1.889 1.00 0.00 H new ATOM 450 N ALA A 361 -4.706 -3.860 2.549 1.00 0.00 N ATOM 451 CA ALA A 361 -3.961 -5.029 2.097 1.00 0.00 C ATOM 452 C ALA A 361 -4.965 -6.103 1.684 1.00 0.00 C ATOM 453 O ALA A 361 -4.853 -6.648 0.588 1.00 0.00 O ATOM 454 CB ALA A 361 -2.925 -5.471 3.151 1.00 0.00 C ATOM 0 H ALA A 361 -4.384 -3.537 3.461 1.00 0.00 H new ATOM 0 HA ALA A 361 -3.357 -4.800 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 361 -2.385 -6.345 2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 361 -2.221 -4.659 3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 361 -3.436 -5.722 4.080 1.00 0.00 H new ATOM 460 N GLY A 362 -5.957 -6.362 2.544 1.00 0.00 N ATOM 461 CA GLY A 362 -7.094 -7.224 2.244 1.00 0.00 C ATOM 462 C GLY A 362 -7.766 -6.847 0.927 1.00 0.00 C ATOM 463 O GLY A 362 -7.990 -7.712 0.079 1.00 0.00 O ATOM 0 H GLY A 362 -5.988 -5.968 3.484 1.00 0.00 H new ATOM 0 HA2 GLY A 362 -6.760 -8.261 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 362 -7.821 -7.160 3.053 1.00 0.00 H new ATOM 467 N GLU A 363 -8.084 -5.565 0.726 1.00 0.00 N ATOM 468 CA GLU A 363 -8.766 -5.144 -0.492 1.00 0.00 C ATOM 469 C GLU A 363 -7.823 -5.136 -1.716 1.00 0.00 C ATOM 470 O GLU A 363 -8.306 -5.086 -2.853 1.00 0.00 O ATOM 471 CB GLU A 363 -9.444 -3.781 -0.248 1.00 0.00 C ATOM 472 CG GLU A 363 -10.651 -3.866 0.714 1.00 0.00 C ATOM 473 CD GLU A 363 -11.954 -4.377 0.079 1.00 0.00 C ATOM 474 OE1 GLU A 363 -11.901 -5.266 -0.801 1.00 0.00 O ATOM 475 OE2 GLU A 363 -13.018 -3.805 0.389 1.00 0.00 O ATOM 0 H GLU A 363 -7.882 -4.812 1.384 1.00 0.00 H new ATOM 0 HA GLU A 363 -9.540 -5.872 -0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 363 -8.711 -3.085 0.160 1.00 0.00 H new ATOM 0 HB3 GLU A 363 -9.776 -3.371 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 363 -10.389 -4.521 1.545 1.00 0.00 H new ATOM 0 HG3 GLU A 363 -10.833 -2.876 1.133 1.00 0.00 H new ATOM 482 N LEU A 364 -6.495 -5.222 -1.550 1.00 0.00 N ATOM 483 CA LEU A 364 -5.551 -5.188 -2.676 1.00 0.00 C ATOM 484 C LEU A 364 -5.326 -6.563 -3.317 1.00 0.00 C ATOM 485 O LEU A 364 -4.353 -6.729 -4.052 1.00 0.00 O ATOM 486 CB LEU A 364 -4.189 -4.653 -2.172 1.00 0.00 C ATOM 487 CG LEU A 364 -4.151 -3.146 -1.919 1.00 0.00 C ATOM 488 CD1 LEU A 364 -2.831 -2.752 -1.251 1.00 0.00 C ATOM 489 CD2 LEU A 364 -4.255 -2.347 -3.213 1.00 0.00 C ATOM 0 H LEU A 364 -6.048 -5.316 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 364 -5.985 -4.540 -3.437 1.00 0.00 H new ATOM 0 HB2 LEU A 364 -3.930 -5.170 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 364 -3.421 -4.905 -2.904 1.00 0.00 H new ATOM 0 HG LEU A 364 -5.003 -2.920 -1.278 1.00 0.00 H new ATOM 0 HD11 LEU A 364 -2.818 -1.676 -1.077 1.00 0.00 H new ATOM 0 HD12 LEU A 364 -2.735 -3.275 -0.299 1.00 0.00 H new ATOM 0 HD13 LEU A 364 -1.999 -3.024 -1.900 1.00 0.00 H new ATOM 0 HD21 LEU A 364 -4.224 -1.281 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 364 -3.421 -2.603 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 364 -5.194 -2.584 -3.713 1.00 0.00 H new ATOM 501 N GLY A 365 -6.306 -7.467 -3.249 1.00 0.00 N ATOM 502 CA GLY A 365 -6.320 -8.738 -3.972 1.00 0.00 C ATOM 503 C GLY A 365 -5.048 -9.577 -3.826 1.00 0.00 C ATOM 504 O GLY A 365 -4.729 -10.338 -4.737 1.00 0.00 O ATOM 0 H GLY A 365 -7.136 -7.329 -2.672 1.00 0.00 H new ATOM 0 HA2 GLY A 365 -7.168 -9.328 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 365 -6.485 -8.535 -5.030 1.00 0.00 H new ATOM 508 N TYR A 366 -4.329 -9.460 -2.710 1.00 0.00 N ATOM 509 CA TYR A 366 -3.131 -10.232 -2.396 1.00 0.00 C ATOM 510 C TYR A 366 -3.526 -11.136 -1.230 1.00 0.00 C ATOM 511 O TYR A 366 -4.197 -10.673 -0.307 1.00 0.00 O ATOM 512 CB TYR A 366 -1.949 -9.297 -2.063 1.00 0.00 C ATOM 513 CG TYR A 366 -1.099 -8.814 -3.243 1.00 0.00 C ATOM 514 CD1 TYR A 366 -1.686 -8.446 -4.471 1.00 0.00 C ATOM 515 CD2 TYR A 366 0.300 -8.708 -3.101 1.00 0.00 C ATOM 516 CE1 TYR A 366 -0.911 -7.923 -5.519 1.00 0.00 C ATOM 517 CE2 TYR A 366 1.089 -8.195 -4.148 1.00 0.00 C ATOM 518 CZ TYR A 366 0.479 -7.765 -5.350 1.00 0.00 C ATOM 519 OH TYR A 366 1.218 -7.135 -6.302 1.00 0.00 O ATOM 0 H TYR A 366 -4.576 -8.799 -1.973 1.00 0.00 H new ATOM 0 HA TYR A 366 -2.785 -10.831 -3.239 1.00 0.00 H new ATOM 0 HB2 TYR A 366 -2.343 -8.422 -1.547 1.00 0.00 H new ATOM 0 HB3 TYR A 366 -1.294 -9.813 -1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 366 -2.750 -8.568 -4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 366 0.770 -9.023 -2.181 1.00 0.00 H new ATOM 0 HE1 TYR A 366 -1.379 -7.643 -6.451 1.00 0.00 H new ATOM 0 HE2 TYR A 366 2.161 -8.130 -4.034 1.00 0.00 H new ATOM 0 HH TYR A 366 1.806 -7.784 -6.742 1.00 0.00 H new ATOM 529 N GLN A 367 -3.220 -12.434 -1.328 1.00 0.00 N ATOM 530 CA GLN A 367 -3.663 -13.435 -0.360 1.00 0.00 C ATOM 531 C GLN A 367 -3.343 -13.043 1.094 1.00 0.00 C ATOM 532 O GLN A 367 -2.357 -12.339 1.335 1.00 0.00 O ATOM 533 CB GLN A 367 -3.005 -14.783 -0.705 1.00 0.00 C ATOM 534 CG GLN A 367 -3.900 -15.660 -1.588 1.00 0.00 C ATOM 535 CD GLN A 367 -3.340 -17.070 -1.795 1.00 0.00 C ATOM 536 OE1 GLN A 367 -3.219 -17.537 -2.921 1.00 0.00 O ATOM 537 NE2 GLN A 367 -3.017 -17.798 -0.737 1.00 0.00 N ATOM 0 H GLN A 367 -2.655 -12.818 -2.086 1.00 0.00 H new ATOM 0 HA GLN A 367 -4.748 -13.509 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 367 -2.059 -14.603 -1.216 1.00 0.00 H new ATOM 0 HB3 GLN A 367 -2.772 -15.317 0.216 1.00 0.00 H new ATOM 0 HG2 GLN A 367 -4.889 -15.731 -1.136 1.00 0.00 H new ATOM 0 HG3 GLN A 367 -4.027 -15.179 -2.558 1.00 0.00 H new ATOM 0 HE21 GLN A 367 -3.118 -17.408 0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 367 -2.667 -18.748 -0.859 1.00 0.00 H new ATOM 546 N PRO A 368 -4.055 -13.612 2.085 1.00 0.00 N ATOM 547 CA PRO A 368 -3.849 -13.267 3.484 1.00 0.00 C ATOM 548 C PRO A 368 -2.478 -13.722 3.978 1.00 0.00 C ATOM 549 O PRO A 368 -1.891 -13.043 4.813 1.00 0.00 O ATOM 550 CB PRO A 368 -4.999 -13.918 4.257 1.00 0.00 C ATOM 551 CG PRO A 368 -5.417 -15.086 3.366 1.00 0.00 C ATOM 552 CD PRO A 368 -5.148 -14.566 1.955 1.00 0.00 C ATOM 0 HA PRO A 368 -3.855 -12.187 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 368 -4.678 -14.260 5.241 1.00 0.00 H new ATOM 0 HB3 PRO A 368 -5.821 -13.220 4.415 1.00 0.00 H new ATOM 0 HG2 PRO A 368 -4.837 -15.984 3.581 1.00 0.00 H new ATOM 0 HG3 PRO A 368 -6.467 -15.343 3.506 1.00 0.00 H new ATOM 0 HD2 PRO A 368 -4.878 -15.381 1.283 1.00 0.00 H new ATOM 0 HD3 PRO A 368 -6.035 -14.090 1.538 1.00 0.00 H new ATOM 560 N GLU A 369 -1.924 -14.803 3.424 1.00 0.00 N ATOM 561 CA GLU A 369 -0.577 -15.255 3.738 1.00 0.00 C ATOM 562 C GLU A 369 0.444 -14.176 3.364 1.00 0.00 C ATOM 563 O GLU A 369 1.433 -13.994 4.068 1.00 0.00 O ATOM 564 CB GLU A 369 -0.254 -16.563 2.992 1.00 0.00 C ATOM 565 CG GLU A 369 -1.121 -17.774 3.394 1.00 0.00 C ATOM 566 CD GLU A 369 -2.576 -17.724 2.900 1.00 0.00 C ATOM 567 OE1 GLU A 369 -2.852 -16.996 1.916 1.00 0.00 O ATOM 568 OE2 GLU A 369 -3.423 -18.412 3.500 1.00 0.00 O ATOM 0 H GLU A 369 -2.405 -15.389 2.742 1.00 0.00 H new ATOM 0 HA GLU A 369 -0.521 -15.443 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 369 -0.370 -16.391 1.922 1.00 0.00 H new ATOM 0 HB3 GLU A 369 0.793 -16.812 3.163 1.00 0.00 H new ATOM 0 HG2 GLU A 369 -0.653 -18.680 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 369 -1.125 -17.854 4.481 1.00 0.00 H new ATOM 575 N HIS A 370 0.208 -13.437 2.273 1.00 0.00 N ATOM 576 CA HIS A 370 1.082 -12.346 1.859 1.00 0.00 C ATOM 577 C HIS A 370 0.958 -11.203 2.864 1.00 0.00 C ATOM 578 O HIS A 370 1.968 -10.657 3.295 1.00 0.00 O ATOM 579 CB HIS A 370 0.735 -11.841 0.445 1.00 0.00 C ATOM 580 CG HIS A 370 0.603 -12.888 -0.640 1.00 0.00 C ATOM 581 ND1 HIS A 370 0.961 -14.218 -0.569 1.00 0.00 N ATOM 582 CD2 HIS A 370 0.072 -12.672 -1.884 1.00 0.00 C ATOM 583 CE1 HIS A 370 0.641 -14.788 -1.745 1.00 0.00 C ATOM 584 NE2 HIS A 370 0.098 -13.883 -2.576 1.00 0.00 N ATOM 0 H HIS A 370 -0.593 -13.582 1.658 1.00 0.00 H new ATOM 0 HA HIS A 370 2.107 -12.717 1.831 1.00 0.00 H new ATOM 0 HB2 HIS A 370 -0.204 -11.290 0.502 1.00 0.00 H new ATOM 0 HB3 HIS A 370 1.503 -11.131 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 370 -0.301 -11.731 -2.262 1.00 0.00 H new ATOM 0 HE1 HIS A 370 0.799 -15.829 -1.987 1.00 0.00 H new ATOM 0 HE2 HIS A 370 -0.231 -14.049 -3.527 1.00 0.00 H new ATOM 592 N ILE A 371 -0.275 -10.846 3.241 1.00 0.00 N ATOM 593 CA ILE A 371 -0.561 -9.776 4.191 1.00 0.00 C ATOM 594 C ILE A 371 0.150 -10.083 5.508 1.00 0.00 C ATOM 595 O ILE A 371 0.862 -9.230 6.040 1.00 0.00 O ATOM 596 CB ILE A 371 -2.087 -9.576 4.361 1.00 0.00 C ATOM 597 CG1 ILE A 371 -2.736 -9.252 2.994 1.00 0.00 C ATOM 598 CG2 ILE A 371 -2.366 -8.455 5.384 1.00 0.00 C ATOM 599 CD1 ILE A 371 -4.262 -9.144 3.020 1.00 0.00 C ATOM 0 H ILE A 371 -1.114 -11.304 2.885 1.00 0.00 H new ATOM 0 HA ILE A 371 -0.179 -8.828 3.813 1.00 0.00 H new ATOM 0 HB ILE A 371 -2.528 -10.499 4.739 1.00 0.00 H new ATOM 0 HG12 ILE A 371 -2.325 -8.312 2.626 1.00 0.00 H new ATOM 0 HG13 ILE A 371 -2.452 -10.025 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 371 -3.442 -8.323 5.495 1.00 0.00 H new ATOM 0 HG22 ILE A 371 -1.932 -8.725 6.347 1.00 0.00 H new ATOM 0 HG23 ILE A 371 -1.921 -7.524 5.034 1.00 0.00 H new ATOM 0 HD11 ILE A 371 -4.628 -8.915 2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 371 -4.688 -10.090 3.354 1.00 0.00 H new ATOM 0 HD13 ILE A 371 -4.559 -8.350 3.705 1.00 0.00 H new ATOM 611 N ASP A 372 -0.014 -11.288 6.046 1.00 0.00 N ATOM 612 CA ASP A 372 0.627 -11.620 7.309 1.00 0.00 C ATOM 613 C ASP A 372 2.144 -11.669 7.143 1.00 0.00 C ATOM 614 O ASP A 372 2.860 -11.164 8.008 1.00 0.00 O ATOM 615 CB ASP A 372 0.021 -12.867 7.965 1.00 0.00 C ATOM 616 CG ASP A 372 -0.913 -12.392 9.079 1.00 0.00 C ATOM 617 OD1 ASP A 372 -2.054 -11.975 8.780 1.00 0.00 O ATOM 618 OD2 ASP A 372 -0.448 -12.221 10.226 1.00 0.00 O ATOM 0 H ASP A 372 -0.574 -12.035 5.636 1.00 0.00 H new ATOM 0 HA ASP A 372 0.422 -10.820 8.021 1.00 0.00 H new ATOM 0 HB2 ASP A 372 -0.527 -13.458 7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 372 0.805 -13.507 8.369 1.00 0.00 H new ATOM 623 N SER A 373 2.662 -12.137 6.003 1.00 0.00 N ATOM 624 CA SER A 373 4.099 -12.126 5.749 1.00 0.00 C ATOM 625 C SER A 373 4.671 -10.716 5.556 1.00 0.00 C ATOM 626 O SER A 373 5.885 -10.548 5.654 1.00 0.00 O ATOM 627 CB SER A 373 4.424 -13.026 4.550 1.00 0.00 C ATOM 628 OG SER A 373 5.806 -13.322 4.488 1.00 0.00 O ATOM 0 H SER A 373 2.104 -12.528 5.244 1.00 0.00 H new ATOM 0 HA SER A 373 4.585 -12.521 6.641 1.00 0.00 H new ATOM 0 HB2 SER A 373 3.855 -13.953 4.623 1.00 0.00 H new ATOM 0 HB3 SER A 373 4.114 -12.533 3.628 1.00 0.00 H new ATOM 0 HG SER A 373 6.320 -12.554 4.814 1.00 0.00 H new ATOM 634 N PHE A 374 3.835 -9.689 5.410 1.00 0.00 N ATOM 635 CA PHE A 374 4.306 -8.313 5.272 1.00 0.00 C ATOM 636 C PHE A 374 4.455 -7.703 6.654 1.00 0.00 C ATOM 637 O PHE A 374 5.368 -6.910 6.854 1.00 0.00 O ATOM 638 CB PHE A 374 3.328 -7.440 4.460 1.00 0.00 C ATOM 639 CG PHE A 374 3.499 -7.464 2.961 1.00 0.00 C ATOM 640 CD1 PHE A 374 4.745 -7.135 2.388 1.00 0.00 C ATOM 641 CD2 PHE A 374 2.434 -7.840 2.119 1.00 0.00 C ATOM 642 CE1 PHE A 374 4.929 -7.213 0.996 1.00 0.00 C ATOM 643 CE2 PHE A 374 2.612 -7.903 0.726 1.00 0.00 C ATOM 644 CZ PHE A 374 3.861 -7.590 0.163 1.00 0.00 C ATOM 0 H PHE A 374 2.820 -9.786 5.384 1.00 0.00 H new ATOM 0 HA PHE A 374 5.258 -8.342 4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 374 2.312 -7.757 4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 374 3.427 -6.409 4.799 1.00 0.00 H new ATOM 0 HD1 PHE A 374 5.562 -6.822 3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 374 1.473 -8.082 2.547 1.00 0.00 H new ATOM 0 HE1 PHE A 374 5.893 -6.983 0.566 1.00 0.00 H new ATOM 0 HE2 PHE A 374 1.789 -8.192 0.089 1.00 0.00 H new ATOM 0 HZ PHE A 374 4.000 -7.639 -0.907 1.00 0.00 H new ATOM 654 N THR A 375 3.608 -8.067 7.620 1.00 0.00 N ATOM 655 CA THR A 375 3.768 -7.542 8.971 1.00 0.00 C ATOM 656 C THR A 375 4.881 -8.279 9.739 1.00 0.00 C ATOM 657 O THR A 375 5.195 -7.860 10.853 1.00 0.00 O ATOM 658 CB THR A 375 2.430 -7.523 9.725 1.00 0.00 C ATOM 659 OG1 THR A 375 2.537 -6.810 10.938 1.00 0.00 O ATOM 660 CG2 THR A 375 1.824 -8.893 9.994 1.00 0.00 C ATOM 0 H THR A 375 2.824 -8.707 7.494 1.00 0.00 H new ATOM 0 HA THR A 375 4.092 -6.504 8.892 1.00 0.00 H new ATOM 0 HB THR A 375 1.746 -7.015 9.045 1.00 0.00 H new ATOM 0 HG1 THR A 375 3.398 -7.011 11.361 1.00 0.00 H new ATOM 0 HG21 THR A 375 0.882 -8.775 10.530 1.00 0.00 H new ATOM 0 HG22 THR A 375 1.642 -9.402 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 375 2.514 -9.484 10.597 1.00 0.00 H new ATOM 668 N HIS A 376 5.429 -9.370 9.190 1.00 0.00 N ATOM 669 CA HIS A 376 6.580 -10.084 9.731 1.00 0.00 C ATOM 670 C HIS A 376 7.888 -9.507 9.183 1.00 0.00 C ATOM 671 O HIS A 376 8.877 -9.482 9.914 1.00 0.00 O ATOM 672 CB HIS A 376 6.465 -11.589 9.459 1.00 0.00 C ATOM 673 CG HIS A 376 5.473 -12.273 10.371 1.00 0.00 C ATOM 674 ND1 HIS A 376 4.107 -12.311 10.209 1.00 0.00 N ATOM 675 CD2 HIS A 376 5.765 -12.934 11.534 1.00 0.00 C ATOM 676 CE1 HIS A 376 3.586 -12.985 11.247 1.00 0.00 C ATOM 677 NE2 HIS A 376 4.559 -13.387 12.083 1.00 0.00 N ATOM 0 H HIS A 376 5.069 -9.788 8.332 1.00 0.00 H new ATOM 0 HA HIS A 376 6.592 -9.947 10.812 1.00 0.00 H new ATOM 0 HB2 HIS A 376 6.166 -11.745 8.422 1.00 0.00 H new ATOM 0 HB3 HIS A 376 7.444 -12.052 9.582 1.00 0.00 H new ATOM 0 HD1 HIS A 376 3.583 -11.900 9.437 1.00 0.00 H new ATOM 0 HD2 HIS A 376 6.750 -13.080 11.953 1.00 0.00 H new ATOM 0 HE1 HIS A 376 2.533 -13.177 11.390 1.00 0.00 H new ATOM 685 N GLU A 377 7.923 -9.121 7.902 1.00 0.00 N ATOM 686 CA GLU A 377 9.065 -8.411 7.334 1.00 0.00 C ATOM 687 C GLU A 377 9.460 -7.118 8.042 1.00 0.00 C ATOM 688 O GLU A 377 8.704 -6.545 8.831 1.00 0.00 O ATOM 689 CB GLU A 377 8.853 -8.175 5.822 1.00 0.00 C ATOM 690 CG GLU A 377 9.233 -9.414 5.002 1.00 0.00 C ATOM 691 CD GLU A 377 10.769 -9.556 4.918 1.00 0.00 C ATOM 692 OE1 GLU A 377 11.485 -8.755 5.575 1.00 0.00 O ATOM 693 OE2 GLU A 377 11.222 -10.459 4.183 1.00 0.00 O ATOM 0 H GLU A 377 7.167 -9.292 7.239 1.00 0.00 H new ATOM 0 HA GLU A 377 9.916 -9.073 7.496 1.00 0.00 H new ATOM 0 HB2 GLU A 377 7.810 -7.919 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 377 9.453 -7.325 5.498 1.00 0.00 H new ATOM 0 HG2 GLU A 377 8.804 -10.306 5.459 1.00 0.00 H new ATOM 0 HG3 GLU A 377 8.813 -9.336 3.999 1.00 0.00 H new ATOM 700 N ALA A 378 10.646 -6.630 7.653 1.00 0.00 N ATOM 701 CA ALA A 378 11.387 -5.538 8.278 1.00 0.00 C ATOM 702 C ALA A 378 10.491 -4.339 8.582 1.00 0.00 C ATOM 703 O ALA A 378 10.548 -3.777 9.675 1.00 0.00 O ATOM 704 CB ALA A 378 12.575 -5.149 7.391 1.00 0.00 C ATOM 0 H ALA A 378 11.138 -7.013 6.846 1.00 0.00 H new ATOM 0 HA ALA A 378 11.767 -5.884 9.239 1.00 0.00 H new ATOM 0 HB1 ALA A 378 13.127 -4.334 7.859 1.00 0.00 H new ATOM 0 HB2 ALA A 378 13.233 -6.009 7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 378 12.211 -4.827 6.415 1.00 0.00 H new ATOM 710 N CYS A 379 9.706 -3.918 7.590 1.00 0.00 N ATOM 711 CA CYS A 379 8.506 -3.122 7.764 1.00 0.00 C ATOM 712 C CYS A 379 7.533 -3.587 6.673 1.00 0.00 C ATOM 713 O CYS A 379 7.988 -3.716 5.532 1.00 0.00 O ATOM 714 CB CYS A 379 8.809 -1.624 7.573 1.00 0.00 C ATOM 715 SG CYS A 379 9.553 -0.898 9.061 1.00 0.00 S ATOM 0 H CYS A 379 9.901 -4.133 6.612 1.00 0.00 H new ATOM 0 HA CYS A 379 8.097 -3.249 8.766 1.00 0.00 H new ATOM 0 HB2 CYS A 379 9.484 -1.494 6.727 1.00 0.00 H new ATOM 0 HB3 CYS A 379 7.888 -1.094 7.330 1.00 0.00 H new ATOM 0 HG CYS A 379 10.143 -1.829 9.750 1.00 0.00 H new ATOM 721 N PRO A 380 6.221 -3.730 6.959 1.00 0.00 N ATOM 722 CA PRO A 380 5.191 -3.911 5.941 1.00 0.00 C ATOM 723 C PRO A 380 5.269 -2.762 4.962 1.00 0.00 C ATOM 724 O PRO A 380 5.819 -2.932 3.888 1.00 0.00 O ATOM 725 CB PRO A 380 3.849 -4.035 6.684 1.00 0.00 C ATOM 726 CG PRO A 380 4.122 -3.444 8.065 1.00 0.00 C ATOM 727 CD PRO A 380 5.616 -3.681 8.283 1.00 0.00 C ATOM 0 HA PRO A 380 5.320 -4.813 5.343 1.00 0.00 H new ATOM 0 HB2 PRO A 380 3.058 -3.491 6.168 1.00 0.00 H new ATOM 0 HB3 PRO A 380 3.528 -5.074 6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 380 3.878 -2.382 8.100 1.00 0.00 H new ATOM 0 HG3 PRO A 380 3.524 -3.934 8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 380 6.053 -2.881 8.881 1.00 0.00 H new ATOM 0 HD3 PRO A 380 5.787 -4.612 8.823 1.00 0.00 H new ATOM 735 N VAL A 381 4.654 -1.632 5.278 1.00 0.00 N ATOM 736 CA VAL A 381 4.384 -0.545 4.356 1.00 0.00 C ATOM 737 C VAL A 381 5.558 -0.218 3.398 1.00 0.00 C ATOM 738 O VAL A 381 5.323 -0.091 2.199 1.00 0.00 O ATOM 739 CB VAL A 381 3.746 0.624 5.123 1.00 0.00 C ATOM 740 CG1 VAL A 381 3.191 1.653 4.127 1.00 0.00 C ATOM 741 CG2 VAL A 381 2.604 0.160 6.043 1.00 0.00 C ATOM 0 H VAL A 381 4.317 -1.442 6.222 1.00 0.00 H new ATOM 0 HA VAL A 381 3.638 -0.859 3.626 1.00 0.00 H new ATOM 0 HB VAL A 381 4.524 1.067 5.744 1.00 0.00 H new ATOM 0 HG11 VAL A 381 2.739 2.481 4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 381 4.002 2.029 3.503 1.00 0.00 H new ATOM 0 HG13 VAL A 381 2.438 1.180 3.497 1.00 0.00 H new ATOM 0 HG21 VAL A 381 2.184 1.020 6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 381 1.827 -0.317 5.446 1.00 0.00 H new ATOM 0 HG23 VAL A 381 2.991 -0.552 6.772 1.00 0.00 H new ATOM 751 N ARG A 382 6.826 -0.202 3.837 1.00 0.00 N ATOM 752 CA ARG A 382 7.951 -0.080 2.898 1.00 0.00 C ATOM 753 C ARG A 382 8.001 -1.241 1.899 1.00 0.00 C ATOM 754 O ARG A 382 7.909 -0.987 0.694 1.00 0.00 O ATOM 755 CB ARG A 382 9.297 0.038 3.646 1.00 0.00 C ATOM 756 CG ARG A 382 9.847 1.472 3.713 1.00 0.00 C ATOM 757 CD ARG A 382 11.108 1.501 4.591 1.00 0.00 C ATOM 758 NE ARG A 382 11.370 2.822 5.188 1.00 0.00 N ATOM 759 CZ ARG A 382 11.021 3.203 6.424 1.00 0.00 C ATOM 760 NH1 ARG A 382 10.233 2.446 7.187 1.00 0.00 N ATOM 761 NH2 ARG A 382 11.503 4.346 6.894 1.00 0.00 N ATOM 0 H ARG A 382 7.095 -0.271 4.818 1.00 0.00 H new ATOM 0 HA ARG A 382 7.784 0.837 2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 382 9.173 -0.341 4.660 1.00 0.00 H new ATOM 0 HB3 ARG A 382 10.032 -0.600 3.155 1.00 0.00 H new ATOM 0 HG2 ARG A 382 10.082 1.829 2.710 1.00 0.00 H new ATOM 0 HG3 ARG A 382 9.092 2.143 4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 382 11.005 0.764 5.387 1.00 0.00 H new ATOM 0 HD3 ARG A 382 11.968 1.204 3.990 1.00 0.00 H new ATOM 0 HE ARG A 382 11.859 3.506 4.610 1.00 0.00 H new ATOM 0 HH11 ARG A 382 9.882 1.556 6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 382 9.980 2.757 8.125 1.00 0.00 H new ATOM 0 HH21 ARG A 382 12.125 4.913 6.317 1.00 0.00 H new ATOM 0 HH22 ARG A 382 11.252 4.658 7.832 1.00 0.00 H new ATOM 775 N ALA A 383 8.161 -2.495 2.347 1.00 0.00 N ATOM 776 CA ALA A 383 8.360 -3.588 1.395 1.00 0.00 C ATOM 777 C ALA A 383 7.044 -3.998 0.722 1.00 0.00 C ATOM 778 O ALA A 383 7.055 -4.597 -0.351 1.00 0.00 O ATOM 779 CB ALA A 383 8.937 -4.795 2.144 1.00 0.00 C ATOM 0 H ALA A 383 8.157 -2.769 3.330 1.00 0.00 H new ATOM 0 HA ALA A 383 9.045 -3.247 0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 383 9.090 -5.617 1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 383 9.890 -4.521 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 383 8.241 -5.106 2.924 1.00 0.00 H new ATOM 785 N LEU A 384 5.917 -3.522 1.240 1.00 0.00 N ATOM 786 CA LEU A 384 4.582 -3.707 0.719 1.00 0.00 C ATOM 787 C LEU A 384 4.447 -2.870 -0.527 1.00 0.00 C ATOM 788 O LEU A 384 4.063 -3.383 -1.567 1.00 0.00 O ATOM 789 CB LEU A 384 3.602 -3.219 1.787 1.00 0.00 C ATOM 790 CG LEU A 384 2.125 -3.167 1.378 1.00 0.00 C ATOM 791 CD1 LEU A 384 1.545 -4.580 1.358 1.00 0.00 C ATOM 792 CD2 LEU A 384 1.407 -2.307 2.414 1.00 0.00 C ATOM 0 H LEU A 384 5.920 -2.960 2.091 1.00 0.00 H new ATOM 0 HA LEU A 384 4.380 -4.751 0.477 1.00 0.00 H new ATOM 0 HB2 LEU A 384 3.694 -3.868 2.658 1.00 0.00 H new ATOM 0 HB3 LEU A 384 3.906 -2.220 2.100 1.00 0.00 H new ATOM 0 HG LEU A 384 2.004 -2.744 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 384 0.495 -4.538 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 384 2.096 -5.189 0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 384 1.629 -5.022 2.351 1.00 0.00 H new ATOM 0 HD21 LEU A 384 0.348 -2.242 2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 384 1.518 -2.757 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 384 1.841 -1.307 2.420 1.00 0.00 H new ATOM 804 N LEU A 385 4.789 -1.586 -0.449 1.00 0.00 N ATOM 805 CA LEU A 385 4.544 -0.679 -1.557 1.00 0.00 C ATOM 806 C LEU A 385 5.617 -0.873 -2.621 1.00 0.00 C ATOM 807 O LEU A 385 5.332 -0.658 -3.800 1.00 0.00 O ATOM 808 CB LEU A 385 4.505 0.773 -1.042 1.00 0.00 C ATOM 809 CG LEU A 385 3.394 0.991 0.013 1.00 0.00 C ATOM 810 CD1 LEU A 385 3.553 2.363 0.676 1.00 0.00 C ATOM 811 CD2 LEU A 385 1.981 0.778 -0.538 1.00 0.00 C ATOM 0 H LEU A 385 5.232 -1.157 0.364 1.00 0.00 H new ATOM 0 HA LEU A 385 3.577 -0.896 -2.011 1.00 0.00 H new ATOM 0 HB2 LEU A 385 5.471 1.028 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 385 4.344 1.450 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 385 3.520 0.221 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 385 2.765 2.503 1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 385 4.525 2.420 1.166 1.00 0.00 H new ATOM 0 HD13 LEU A 385 3.482 3.144 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 385 1.252 0.947 0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 385 1.799 1.478 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 385 1.885 -0.243 -0.908 1.00 0.00 H new ATOM 823 N ALA A 386 6.814 -1.323 -2.223 1.00 0.00 N ATOM 824 CA ALA A 386 7.855 -1.692 -3.163 1.00 0.00 C ATOM 825 C ALA A 386 7.488 -2.966 -3.937 1.00 0.00 C ATOM 826 O ALA A 386 7.702 -3.006 -5.149 1.00 0.00 O ATOM 827 CB ALA A 386 9.173 -1.894 -2.408 1.00 0.00 C ATOM 0 H ALA A 386 7.077 -1.437 -1.244 1.00 0.00 H new ATOM 0 HA ALA A 386 7.965 -0.886 -3.889 1.00 0.00 H new ATOM 0 HB1 ALA A 386 9.957 -2.171 -3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 386 9.449 -0.968 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 386 9.052 -2.687 -1.670 1.00 0.00 H new ATOM 833 N SER A 387 6.915 -3.975 -3.265 1.00 0.00 N ATOM 834 CA SER A 387 6.676 -5.296 -3.840 1.00 0.00 C ATOM 835 C SER A 387 5.303 -5.372 -4.503 1.00 0.00 C ATOM 836 O SER A 387 5.208 -5.858 -5.627 1.00 0.00 O ATOM 837 CB SER A 387 6.860 -6.389 -2.778 1.00 0.00 C ATOM 838 OG SER A 387 7.017 -7.661 -3.377 1.00 0.00 O ATOM 0 H SER A 387 6.603 -3.891 -2.297 1.00 0.00 H new ATOM 0 HA SER A 387 7.416 -5.467 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 387 7.733 -6.162 -2.166 1.00 0.00 H new ATOM 0 HB3 SER A 387 5.998 -6.402 -2.112 1.00 0.00 H new ATOM 0 HG SER A 387 7.134 -8.339 -2.679 1.00 0.00 H new ATOM 844 N TRP A 388 4.225 -4.936 -3.836 1.00 0.00 N ATOM 845 CA TRP A 388 2.906 -4.904 -4.463 1.00 0.00 C ATOM 846 C TRP A 388 2.984 -4.028 -5.708 1.00 0.00 C ATOM 847 O TRP A 388 2.546 -4.432 -6.781 1.00 0.00 O ATOM 848 CB TRP A 388 1.856 -4.317 -3.491 1.00 0.00 C ATOM 849 CG TRP A 388 0.483 -4.144 -4.074 1.00 0.00 C ATOM 850 CD1 TRP A 388 -0.518 -5.056 -4.073 1.00 0.00 C ATOM 851 CD2 TRP A 388 -0.044 -2.992 -4.800 1.00 0.00 C ATOM 852 NE1 TRP A 388 -1.561 -4.605 -4.862 1.00 0.00 N ATOM 853 CE2 TRP A 388 -1.322 -3.345 -5.322 1.00 0.00 C ATOM 854 CE3 TRP A 388 0.430 -1.697 -5.105 1.00 0.00 C ATOM 855 CZ2 TRP A 388 -2.088 -2.497 -6.118 1.00 0.00 C ATOM 856 CZ3 TRP A 388 -0.334 -0.842 -5.920 1.00 0.00 C ATOM 857 CH2 TRP A 388 -1.574 -1.236 -6.412 1.00 0.00 C ATOM 0 H TRP A 388 4.244 -4.605 -2.872 1.00 0.00 H new ATOM 0 HA TRP A 388 2.607 -5.919 -4.725 1.00 0.00 H new ATOM 0 HB2 TRP A 388 1.786 -4.967 -2.619 1.00 0.00 H new ATOM 0 HB3 TRP A 388 2.210 -3.348 -3.138 1.00 0.00 H new ATOM 0 HD1 TRP A 388 -0.504 -5.994 -3.537 1.00 0.00 H new ATOM 0 HE1 TRP A 388 -2.400 -5.146 -5.072 1.00 0.00 H new ATOM 0 HE3 TRP A 388 1.379 -1.363 -4.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 388 -3.051 -2.807 -6.496 1.00 0.00 H new ATOM 0 HZ3 TRP A 388 0.049 0.137 -6.168 1.00 0.00 H new ATOM 0 HH2 TRP A 388 -2.144 -0.557 -7.029 1.00 0.00 H new ATOM 868 N GLY A 389 3.687 -2.897 -5.603 1.00 0.00 N ATOM 869 CA GLY A 389 3.846 -1.934 -6.672 1.00 0.00 C ATOM 870 C GLY A 389 4.846 -2.368 -7.735 1.00 0.00 C ATOM 871 O GLY A 389 5.270 -1.501 -8.495 1.00 0.00 O ATOM 0 H GLY A 389 4.170 -2.628 -4.746 1.00 0.00 H new ATOM 0 HA2 GLY A 389 2.878 -1.763 -7.143 1.00 0.00 H new ATOM 0 HA3 GLY A 389 4.167 -0.982 -6.249 1.00 0.00 H new ATOM 875 N ALA A 390 5.273 -3.634 -7.762 1.00 0.00 N ATOM 876 CA ALA A 390 6.158 -4.182 -8.781 1.00 0.00 C ATOM 877 C ALA A 390 5.380 -4.791 -9.952 1.00 0.00 C ATOM 878 O ALA A 390 5.909 -4.860 -11.060 1.00 0.00 O ATOM 879 CB ALA A 390 7.017 -5.280 -8.145 1.00 0.00 C ATOM 0 H ALA A 390 5.003 -4.319 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 390 6.770 -3.367 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 390 7.685 -5.700 -8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 390 7.606 -4.856 -7.332 1.00 0.00 H new ATOM 0 HB3 ALA A 390 6.371 -6.066 -7.754 1.00 0.00 H new ATOM 885 N GLN A 391 4.163 -5.287 -9.713 1.00 0.00 N ATOM 886 CA GLN A 391 3.479 -6.165 -10.659 1.00 0.00 C ATOM 887 C GLN A 391 2.565 -5.309 -11.540 1.00 0.00 C ATOM 888 O GLN A 391 1.697 -4.612 -11.023 1.00 0.00 O ATOM 889 CB GLN A 391 2.770 -7.280 -9.859 1.00 0.00 C ATOM 890 CG GLN A 391 3.837 -8.197 -9.225 1.00 0.00 C ATOM 891 CD GLN A 391 3.262 -9.412 -8.504 1.00 0.00 C ATOM 892 OE1 GLN A 391 2.771 -9.235 -7.290 1.00 0.00 O flip ATOM 893 NE2 GLN A 391 3.284 -10.521 -9.020 1.00 0.00 N flip ATOM 0 H GLN A 391 3.630 -5.092 -8.865 1.00 0.00 H new ATOM 0 HA GLN A 391 4.160 -6.673 -11.342 1.00 0.00 H new ATOM 0 HB2 GLN A 391 2.139 -6.845 -9.084 1.00 0.00 H new ATOM 0 HB3 GLN A 391 2.118 -7.858 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 391 4.517 -8.539 -10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 391 4.429 -7.615 -8.519 1.00 0.00 H new ATOM 0 HE21 GLN A 391 3.667 -10.640 -9.958 1.00 0.00 H new ATOM 0 HE22 GLN A 391 2.920 -11.327 -8.512 1.00 0.00 H new ATOM 902 N ASP A 392 2.789 -5.290 -12.860 1.00 0.00 N ATOM 903 CA ASP A 392 2.173 -4.310 -13.765 1.00 0.00 C ATOM 904 C ASP A 392 0.662 -4.504 -13.884 1.00 0.00 C ATOM 905 O ASP A 392 0.196 -5.454 -14.511 1.00 0.00 O ATOM 906 CB ASP A 392 2.862 -4.213 -15.134 1.00 0.00 C ATOM 907 CG ASP A 392 2.602 -2.846 -15.795 1.00 0.00 C ATOM 908 OD1 ASP A 392 1.716 -2.076 -15.351 1.00 0.00 O ATOM 909 OD2 ASP A 392 3.382 -2.438 -16.684 1.00 0.00 O ATOM 0 H ASP A 392 3.403 -5.954 -13.332 1.00 0.00 H new ATOM 0 HA ASP A 392 2.334 -3.339 -13.296 1.00 0.00 H new ATOM 0 HB2 ASP A 392 3.935 -4.364 -15.015 1.00 0.00 H new ATOM 0 HB3 ASP A 392 2.498 -5.009 -15.784 1.00 0.00 H new ATOM 914 N SER A 393 -0.075 -3.652 -13.167 1.00 0.00 N ATOM 915 CA SER A 393 -1.507 -3.601 -12.852 1.00 0.00 C ATOM 916 C SER A 393 -1.682 -2.971 -11.465 1.00 0.00 C ATOM 917 O SER A 393 -2.650 -2.250 -11.233 1.00 0.00 O ATOM 918 CB SER A 393 -2.234 -4.954 -12.954 1.00 0.00 C ATOM 919 OG SER A 393 -1.472 -6.019 -12.423 1.00 0.00 O ATOM 0 H SER A 393 0.393 -2.860 -12.727 1.00 0.00 H new ATOM 0 HA SER A 393 -1.984 -2.986 -13.615 1.00 0.00 H new ATOM 0 HB2 SER A 393 -3.185 -4.893 -12.425 1.00 0.00 H new ATOM 0 HB3 SER A 393 -2.464 -5.162 -13.999 1.00 0.00 H new ATOM 0 HG SER A 393 -1.975 -6.856 -12.509 1.00 0.00 H new ATOM 925 N ALA A 394 -0.696 -3.147 -10.580 1.00 0.00 N ATOM 926 CA ALA A 394 -0.534 -2.471 -9.302 1.00 0.00 C ATOM 927 C ALA A 394 -0.091 -1.009 -9.507 1.00 0.00 C ATOM 928 O ALA A 394 0.965 -0.571 -9.027 1.00 0.00 O ATOM 929 CB ALA A 394 0.489 -3.259 -8.489 1.00 0.00 C ATOM 0 H ALA A 394 0.058 -3.812 -10.755 1.00 0.00 H new ATOM 0 HA ALA A 394 -1.482 -2.435 -8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 394 0.634 -2.777 -7.522 1.00 0.00 H new ATOM 0 HB2 ALA A 394 0.128 -4.276 -8.337 1.00 0.00 H new ATOM 0 HB3 ALA A 394 1.437 -3.287 -9.026 1.00 0.00 H new ATOM 935 N THR A 395 -0.850 -0.250 -10.300 1.00 0.00 N ATOM 936 CA THR A 395 -0.556 1.148 -10.566 1.00 0.00 C ATOM 937 C THR A 395 -0.790 1.965 -9.289 1.00 0.00 C ATOM 938 O THR A 395 -1.257 1.438 -8.273 1.00 0.00 O ATOM 939 CB THR A 395 -1.370 1.650 -11.771 1.00 0.00 C ATOM 940 OG1 THR A 395 -2.743 1.672 -11.481 1.00 0.00 O ATOM 941 CG2 THR A 395 -1.170 0.816 -13.043 1.00 0.00 C ATOM 0 H THR A 395 -1.686 -0.594 -10.774 1.00 0.00 H new ATOM 0 HA THR A 395 0.492 1.270 -10.841 1.00 0.00 H new ATOM 0 HB THR A 395 -0.995 2.656 -11.960 1.00 0.00 H new ATOM 0 HG1 THR A 395 -3.141 2.490 -11.846 1.00 0.00 H new ATOM 0 HG21 THR A 395 -1.776 1.231 -13.849 1.00 0.00 H new ATOM 0 HG22 THR A 395 -0.119 0.838 -13.331 1.00 0.00 H new ATOM 0 HG23 THR A 395 -1.473 -0.214 -12.854 1.00 0.00 H new ATOM 949 N LEU A 396 -0.510 3.274 -9.321 1.00 0.00 N ATOM 950 CA LEU A 396 -0.992 4.127 -8.239 1.00 0.00 C ATOM 951 C LEU A 396 -2.517 3.997 -8.160 1.00 0.00 C ATOM 952 O LEU A 396 -3.060 3.850 -7.068 1.00 0.00 O ATOM 953 CB LEU A 396 -0.539 5.589 -8.418 1.00 0.00 C ATOM 954 CG LEU A 396 -0.256 6.341 -7.097 1.00 0.00 C ATOM 955 CD1 LEU A 396 -1.354 6.205 -6.036 1.00 0.00 C ATOM 956 CD2 LEU A 396 1.092 5.919 -6.492 1.00 0.00 C ATOM 0 H LEU A 396 0.024 3.745 -10.051 1.00 0.00 H new ATOM 0 HA LEU A 396 -0.557 3.799 -7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 396 0.363 5.604 -9.030 1.00 0.00 H new ATOM 0 HB3 LEU A 396 -1.308 6.129 -8.971 1.00 0.00 H new ATOM 0 HG LEU A 396 -0.229 7.392 -7.383 1.00 0.00 H new ATOM 0 HD11 LEU A 396 -1.070 6.764 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 396 -2.291 6.600 -6.429 1.00 0.00 H new ATOM 0 HD13 LEU A 396 -1.483 5.154 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 396 1.261 6.466 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 396 1.079 4.849 -6.286 1.00 0.00 H new ATOM 0 HD23 LEU A 396 1.893 6.143 -7.197 1.00 0.00 H new ATOM 968 N ASP A 397 -3.191 3.930 -9.312 1.00 0.00 N ATOM 969 CA ASP A 397 -4.646 3.984 -9.436 1.00 0.00 C ATOM 970 C ASP A 397 -5.303 2.735 -8.859 1.00 0.00 C ATOM 971 O ASP A 397 -6.448 2.804 -8.412 1.00 0.00 O ATOM 972 CB ASP A 397 -5.105 4.086 -10.907 1.00 0.00 C ATOM 973 CG ASP A 397 -4.135 4.835 -11.811 1.00 0.00 C ATOM 974 OD1 ASP A 397 -3.094 4.206 -12.124 1.00 0.00 O ATOM 975 OD2 ASP A 397 -4.406 6.008 -12.126 1.00 0.00 O ATOM 0 H ASP A 397 -2.721 3.834 -10.212 1.00 0.00 H new ATOM 0 HA ASP A 397 -4.948 4.875 -8.885 1.00 0.00 H new ATOM 0 HB2 ASP A 397 -5.250 3.080 -11.302 1.00 0.00 H new ATOM 0 HB3 ASP A 397 -6.074 4.584 -10.940 1.00 0.00 H new ATOM 980 N ALA A 398 -4.558 1.633 -8.744 1.00 0.00 N ATOM 981 CA ALA A 398 -5.070 0.378 -8.214 1.00 0.00 C ATOM 982 C ALA A 398 -5.113 0.499 -6.697 1.00 0.00 C ATOM 983 O ALA A 398 -6.143 0.191 -6.091 1.00 0.00 O ATOM 984 CB ALA A 398 -4.164 -0.801 -8.612 1.00 0.00 C ATOM 0 H ALA A 398 -3.577 1.592 -9.019 1.00 0.00 H new ATOM 0 HA ALA A 398 -6.063 0.187 -8.621 1.00 0.00 H new ATOM 0 HB1 ALA A 398 -4.570 -1.726 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 398 -4.118 -0.874 -9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 398 -3.161 -0.639 -8.217 1.00 0.00 H new ATOM 990 N LEU A 399 -4.029 0.980 -6.077 1.00 0.00 N ATOM 991 CA LEU A 399 -4.013 1.126 -4.630 1.00 0.00 C ATOM 992 C LEU A 399 -4.958 2.236 -4.216 1.00 0.00 C ATOM 993 O LEU A 399 -5.697 2.093 -3.250 1.00 0.00 O ATOM 994 CB LEU A 399 -2.592 1.356 -4.104 1.00 0.00 C ATOM 995 CG LEU A 399 -2.506 1.219 -2.570 1.00 0.00 C ATOM 996 CD1 LEU A 399 -1.172 0.589 -2.155 1.00 0.00 C ATOM 997 CD2 LEU A 399 -2.682 2.556 -1.847 1.00 0.00 C ATOM 0 H LEU A 399 -3.172 1.267 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 399 -4.361 0.196 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 399 -1.915 0.640 -4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 399 -2.255 2.350 -4.397 1.00 0.00 H new ATOM 0 HG LEU A 399 -3.330 0.570 -2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 399 -1.133 0.502 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 399 -1.083 -0.401 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 399 -0.350 1.218 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 399 -2.612 2.399 -0.771 1.00 0.00 H new ATOM 0 HD22 LEU A 399 -1.901 3.247 -2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 399 -3.658 2.975 -2.090 1.00 0.00 H new ATOM 1009 N LEU A 400 -4.972 3.327 -4.971 1.00 0.00 N ATOM 1010 CA LEU A 400 -5.838 4.468 -4.777 1.00 0.00 C ATOM 1011 C LEU A 400 -7.316 4.050 -4.864 1.00 0.00 C ATOM 1012 O LEU A 400 -8.161 4.582 -4.143 1.00 0.00 O ATOM 1013 CB LEU A 400 -5.423 5.469 -5.875 1.00 0.00 C ATOM 1014 CG LEU A 400 -6.377 6.611 -6.242 1.00 0.00 C ATOM 1015 CD1 LEU A 400 -5.577 7.798 -6.796 1.00 0.00 C ATOM 1016 CD2 LEU A 400 -7.402 6.237 -7.327 1.00 0.00 C ATOM 0 H LEU A 400 -4.349 3.439 -5.771 1.00 0.00 H new ATOM 0 HA LEU A 400 -5.737 4.919 -3.790 1.00 0.00 H new ATOM 0 HB2 LEU A 400 -4.477 5.916 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 400 -5.229 4.899 -6.783 1.00 0.00 H new ATOM 0 HG LEU A 400 -6.909 6.850 -5.321 1.00 0.00 H new ATOM 0 HD11 LEU A 400 -6.259 8.607 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 400 -4.872 8.146 -6.041 1.00 0.00 H new ATOM 0 HD13 LEU A 400 -5.031 7.485 -7.686 1.00 0.00 H new ATOM 0 HD21 LEU A 400 -8.042 7.095 -7.534 1.00 0.00 H new ATOM 0 HD22 LEU A 400 -6.878 5.947 -8.238 1.00 0.00 H new ATOM 0 HD23 LEU A 400 -8.013 5.404 -6.979 1.00 0.00 H new ATOM 1028 N ALA A 401 -7.665 3.140 -5.780 1.00 0.00 N ATOM 1029 CA ALA A 401 -9.017 2.608 -5.897 1.00 0.00 C ATOM 1030 C ALA A 401 -9.350 1.690 -4.726 1.00 0.00 C ATOM 1031 O ALA A 401 -10.448 1.794 -4.179 1.00 0.00 O ATOM 1032 CB ALA A 401 -9.175 1.841 -7.209 1.00 0.00 C ATOM 0 H ALA A 401 -7.011 2.754 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 401 -9.708 3.451 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 401 -10.190 1.450 -7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 401 -8.983 2.511 -8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 401 -8.465 1.015 -7.235 1.00 0.00 H new ATOM 1038 N ALA A 402 -8.434 0.789 -4.356 1.00 0.00 N ATOM 1039 CA ALA A 402 -8.596 -0.072 -3.193 1.00 0.00 C ATOM 1040 C ALA A 402 -8.822 0.789 -1.950 1.00 0.00 C ATOM 1041 O ALA A 402 -9.783 0.562 -1.226 1.00 0.00 O ATOM 1042 CB ALA A 402 -7.391 -1.005 -3.055 1.00 0.00 C ATOM 0 H ALA A 402 -7.559 0.640 -4.860 1.00 0.00 H new ATOM 0 HA ALA A 402 -9.473 -0.708 -3.315 1.00 0.00 H new ATOM 0 HB1 ALA A 402 -7.524 -1.644 -2.182 1.00 0.00 H new ATOM 0 HB2 ALA A 402 -7.306 -1.624 -3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 402 -6.484 -0.413 -2.937 1.00 0.00 H new ATOM 1048 N LEU A 403 -8.027 1.844 -1.759 1.00 0.00 N ATOM 1049 CA LEU A 403 -8.228 2.808 -0.690 1.00 0.00 C ATOM 1050 C LEU A 403 -9.647 3.345 -0.651 1.00 0.00 C ATOM 1051 O LEU A 403 -10.283 3.345 0.398 1.00 0.00 O ATOM 1052 CB LEU A 403 -7.248 3.974 -0.824 1.00 0.00 C ATOM 1053 CG LEU A 403 -5.878 3.697 -0.208 1.00 0.00 C ATOM 1054 CD1 LEU A 403 -4.943 4.841 -0.605 1.00 0.00 C ATOM 1055 CD2 LEU A 403 -6.005 3.595 1.314 1.00 0.00 C ATOM 0 H LEU A 403 -7.221 2.049 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 403 -8.046 2.277 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 403 -7.121 4.211 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 403 -7.679 4.856 -0.349 1.00 0.00 H new ATOM 0 HG LEU A 403 -5.474 2.752 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 403 -3.955 4.669 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 403 -4.865 4.887 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 403 -5.341 5.784 -0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 403 -5.025 3.397 1.748 1.00 0.00 H new ATOM 0 HD22 LEU A 403 -6.395 4.532 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 403 -6.685 2.782 1.569 1.00 0.00 H new ATOM 1067 N ARG A 404 -10.153 3.812 -1.789 1.00 0.00 N ATOM 1068 CA ARG A 404 -11.486 4.396 -1.867 1.00 0.00 C ATOM 1069 C ARG A 404 -12.586 3.355 -1.639 1.00 0.00 C ATOM 1070 O ARG A 404 -13.613 3.706 -1.068 1.00 0.00 O ATOM 1071 CB ARG A 404 -11.581 5.120 -3.211 1.00 0.00 C ATOM 1072 CG ARG A 404 -12.914 5.831 -3.472 1.00 0.00 C ATOM 1073 CD ARG A 404 -12.790 6.860 -4.611 1.00 0.00 C ATOM 1074 NE ARG A 404 -12.280 6.283 -5.874 1.00 0.00 N ATOM 1075 CZ ARG A 404 -11.009 6.298 -6.308 1.00 0.00 C ATOM 1076 NH1 ARG A 404 -10.041 6.844 -5.575 1.00 0.00 N ATOM 1077 NH2 ARG A 404 -10.709 5.751 -7.486 1.00 0.00 N ATOM 0 H ARG A 404 -9.653 3.796 -2.678 1.00 0.00 H new ATOM 0 HA ARG A 404 -11.645 5.116 -1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 404 -10.778 5.854 -3.268 1.00 0.00 H new ATOM 0 HB3 ARG A 404 -11.410 4.397 -4.009 1.00 0.00 H new ATOM 0 HG2 ARG A 404 -13.677 5.095 -3.726 1.00 0.00 H new ATOM 0 HG3 ARG A 404 -13.245 6.332 -2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 404 -13.767 7.308 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 404 -12.126 7.664 -4.293 1.00 0.00 H new ATOM 0 HE ARG A 404 -12.964 5.827 -6.478 1.00 0.00 H new ATOM 0 HH11 ARG A 404 -10.260 7.259 -4.669 1.00 0.00 H new ATOM 0 HH12 ARG A 404 -9.081 6.847 -5.919 1.00 0.00 H new ATOM 0 HH21 ARG A 404 -11.443 5.324 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 404 -9.746 5.759 -7.822 1.00 0.00 H new ATOM 1091 N ARG A 405 -12.382 2.092 -2.022 1.00 0.00 N ATOM 1092 CA ARG A 405 -13.239 0.961 -1.651 1.00 0.00 C ATOM 1093 C ARG A 405 -13.364 0.787 -0.133 1.00 0.00 C ATOM 1094 O ARG A 405 -14.484 0.704 0.362 1.00 0.00 O ATOM 1095 CB ARG A 405 -12.747 -0.278 -2.414 1.00 0.00 C ATOM 1096 CG ARG A 405 -13.339 -1.607 -1.942 1.00 0.00 C ATOM 1097 CD ARG A 405 -13.174 -2.759 -2.954 1.00 0.00 C ATOM 1098 NE ARG A 405 -11.901 -2.684 -3.707 1.00 0.00 N ATOM 1099 CZ ARG A 405 -10.946 -3.619 -3.800 1.00 0.00 C ATOM 1100 NH1 ARG A 405 -11.069 -4.817 -3.258 1.00 0.00 N ATOM 1101 NH2 ARG A 405 -9.819 -3.347 -4.451 1.00 0.00 N ATOM 0 H ARG A 405 -11.597 1.820 -2.614 1.00 0.00 H new ATOM 0 HA ARG A 405 -14.270 1.148 -1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 405 -12.978 -0.150 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 405 -11.662 -0.331 -2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 405 -12.865 -1.891 -1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 405 -14.400 -1.468 -1.735 1.00 0.00 H new ATOM 0 HD2 ARG A 405 -13.222 -3.711 -2.425 1.00 0.00 H new ATOM 0 HD3 ARG A 405 -14.008 -2.742 -3.656 1.00 0.00 H new ATOM 0 HE ARG A 405 -11.731 -1.816 -4.216 1.00 0.00 H new ATOM 0 HH11 ARG A 405 -11.916 -5.060 -2.744 1.00 0.00 H new ATOM 0 HH12 ARG A 405 -10.317 -5.499 -3.353 1.00 0.00 H new ATOM 0 HH21 ARG A 405 -9.685 -2.430 -4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 405 -9.089 -4.055 -4.525 1.00 0.00 H new ATOM 1115 N ILE A 406 -12.265 0.915 0.608 1.00 0.00 N ATOM 1116 CA ILE A 406 -12.239 0.991 2.073 1.00 0.00 C ATOM 1117 C ILE A 406 -12.388 2.408 2.626 1.00 0.00 C ATOM 1118 O ILE A 406 -12.227 2.639 3.822 1.00 0.00 O ATOM 1119 CB ILE A 406 -11.167 0.069 2.728 1.00 0.00 C ATOM 1120 CG1 ILE A 406 -9.952 -0.394 1.906 1.00 0.00 C ATOM 1121 CG2 ILE A 406 -11.705 -1.085 3.528 1.00 0.00 C ATOM 1122 CD1 ILE A 406 -8.751 0.499 2.001 1.00 0.00 C ATOM 0 H ILE A 406 -11.335 0.971 0.194 1.00 0.00 H new ATOM 0 HA ILE A 406 -13.164 0.533 2.422 1.00 0.00 H new ATOM 0 HB ILE A 406 -10.761 0.826 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 406 -9.670 -1.395 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 406 -10.247 -0.472 0.860 1.00 0.00 H new ATOM 0 HG21 ILE A 406 -10.876 -1.661 3.939 1.00 0.00 H new ATOM 0 HG22 ILE A 406 -12.323 -0.707 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 406 -12.307 -1.725 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 406 -7.946 0.092 1.389 1.00 0.00 H new ATOM 0 HD12 ILE A 406 -9.010 1.496 1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 406 -8.423 0.559 3.039 1.00 0.00 H new ATOM 1134 N GLN A 407 -12.812 3.354 1.780 1.00 0.00 N ATOM 1135 CA GLN A 407 -13.134 4.739 2.115 1.00 0.00 C ATOM 1136 C GLN A 407 -11.990 5.442 2.865 1.00 0.00 C ATOM 1137 O GLN A 407 -12.173 6.499 3.472 1.00 0.00 O ATOM 1138 CB GLN A 407 -14.500 4.776 2.828 1.00 0.00 C ATOM 1139 CG GLN A 407 -15.638 4.417 1.855 1.00 0.00 C ATOM 1140 CD GLN A 407 -16.897 3.983 2.596 1.00 0.00 C ATOM 1141 OE1 GLN A 407 -17.697 4.802 3.027 1.00 0.00 O ATOM 1142 NE2 GLN A 407 -17.104 2.684 2.755 1.00 0.00 N ATOM 0 H GLN A 407 -12.946 3.159 0.788 1.00 0.00 H new ATOM 0 HA GLN A 407 -13.233 5.329 1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 407 -14.497 4.077 3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 407 -14.671 5.769 3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 407 -15.864 5.278 1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 407 -15.311 3.616 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 407 -16.429 2.012 2.391 1.00 0.00 H new ATOM 0 HE22 GLN A 407 -17.938 2.356 3.242 1.00 0.00 H new ATOM 1151 N ARG A 408 -10.773 4.901 2.774 1.00 0.00 N ATOM 1152 CA ARG A 408 -9.533 5.560 3.188 1.00 0.00 C ATOM 1153 C ARG A 408 -9.055 6.527 2.099 1.00 0.00 C ATOM 1154 O ARG A 408 -7.926 6.459 1.616 1.00 0.00 O ATOM 1155 CB ARG A 408 -8.510 4.497 3.626 1.00 0.00 C ATOM 1156 CG ARG A 408 -8.994 3.445 4.651 1.00 0.00 C ATOM 1157 CD ARG A 408 -9.326 3.917 6.081 1.00 0.00 C ATOM 1158 NE ARG A 408 -10.340 4.984 6.126 1.00 0.00 N ATOM 1159 CZ ARG A 408 -10.095 6.258 6.469 1.00 0.00 C ATOM 1160 NH1 ARG A 408 -9.004 6.600 7.144 1.00 0.00 N ATOM 1161 NH2 ARG A 408 -10.918 7.224 6.081 1.00 0.00 N ATOM 0 H ARG A 408 -10.619 3.965 2.399 1.00 0.00 H new ATOM 0 HA ARG A 408 -9.693 6.190 4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 408 -8.165 3.971 2.736 1.00 0.00 H new ATOM 0 HB3 ARG A 408 -7.646 5.010 4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 408 -9.885 2.968 4.243 1.00 0.00 H new ATOM 0 HG3 ARG A 408 -8.226 2.675 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 408 -9.679 3.066 6.663 1.00 0.00 H new ATOM 0 HD3 ARG A 408 -8.413 4.273 6.559 1.00 0.00 H new ATOM 0 HE ARG A 408 -11.298 4.737 5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 408 -8.327 5.887 7.415 1.00 0.00 H new ATOM 0 HH12 ARG A 408 -8.843 7.576 7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 408 -11.740 6.999 5.520 1.00 0.00 H new ATOM 0 HH22 ARG A 408 -10.729 8.191 6.344 1.00 0.00 H new ATOM 1175 N ALA A 409 -9.963 7.395 1.647 1.00 0.00 N ATOM 1176 CA ALA A 409 -9.711 8.358 0.582 1.00 0.00 C ATOM 1177 C ALA A 409 -8.849 9.537 1.057 1.00 0.00 C ATOM 1178 O ALA A 409 -8.150 10.134 0.250 1.00 0.00 O ATOM 1179 CB ALA A 409 -11.058 8.843 0.044 1.00 0.00 C ATOM 0 H ALA A 409 -10.911 7.446 2.021 1.00 0.00 H new ATOM 0 HA ALA A 409 -9.144 7.869 -0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -10.892 9.566 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -11.621 7.995 -0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -11.622 9.315 0.848 1.00 0.00 H new ATOM 1185 N ASP A 410 -8.808 9.779 2.361 1.00 0.00 N ATOM 1186 CA ASP A 410 -7.870 10.658 3.058 1.00 0.00 C ATOM 1187 C ASP A 410 -6.416 10.302 2.726 1.00 0.00 C ATOM 1188 O ASP A 410 -5.567 11.179 2.567 1.00 0.00 O ATOM 1189 CB ASP A 410 -8.141 10.634 4.580 1.00 0.00 C ATOM 1190 CG ASP A 410 -8.407 9.254 5.208 1.00 0.00 C ATOM 1191 OD1 ASP A 410 -8.223 8.205 4.549 1.00 0.00 O ATOM 1192 OD2 ASP A 410 -8.951 9.208 6.336 1.00 0.00 O ATOM 0 H ASP A 410 -9.469 9.341 3.002 1.00 0.00 H new ATOM 0 HA ASP A 410 -8.028 11.678 2.708 1.00 0.00 H new ATOM 0 HB2 ASP A 410 -7.285 11.080 5.086 1.00 0.00 H new ATOM 0 HB3 ASP A 410 -9.000 11.273 4.784 1.00 0.00 H new ATOM 1197 N ILE A 411 -6.090 9.014 2.606 1.00 0.00 N ATOM 1198 CA ILE A 411 -4.756 8.614 2.164 1.00 0.00 C ATOM 1199 C ILE A 411 -4.576 8.924 0.679 1.00 0.00 C ATOM 1200 O ILE A 411 -3.462 9.240 0.274 1.00 0.00 O ATOM 1201 CB ILE A 411 -4.468 7.121 2.469 1.00 0.00 C ATOM 1202 CG1 ILE A 411 -4.853 6.809 3.947 1.00 0.00 C ATOM 1203 CG2 ILE A 411 -3.011 6.763 2.111 1.00 0.00 C ATOM 1204 CD1 ILE A 411 -4.631 5.391 4.484 1.00 0.00 C ATOM 0 H ILE A 411 -6.723 8.240 2.806 1.00 0.00 H new ATOM 0 HA ILE A 411 -4.027 9.195 2.729 1.00 0.00 H new ATOM 0 HB ILE A 411 -5.087 6.480 1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 411 -4.295 7.495 4.585 1.00 0.00 H new ATOM 0 HG13 ILE A 411 -5.910 7.047 4.070 1.00 0.00 H new ATOM 0 HG21 ILE A 411 -2.830 5.711 2.333 1.00 0.00 H new ATOM 0 HG22 ILE A 411 -2.842 6.945 1.050 1.00 0.00 H new ATOM 0 HG23 ILE A 411 -2.330 7.380 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 411 -4.950 5.342 5.525 1.00 0.00 H new ATOM 0 HD12 ILE A 411 -5.212 4.683 3.893 1.00 0.00 H new ATOM 0 HD13 ILE A 411 -3.573 5.138 4.416 1.00 0.00 H new ATOM 1216 N VAL A 412 -5.616 8.798 -0.146 1.00 0.00 N ATOM 1217 CA VAL A 412 -5.498 8.980 -1.587 1.00 0.00 C ATOM 1218 C VAL A 412 -5.037 10.407 -1.921 1.00 0.00 C ATOM 1219 O VAL A 412 -4.160 10.588 -2.765 1.00 0.00 O ATOM 1220 CB VAL A 412 -6.834 8.658 -2.300 1.00 0.00 C ATOM 1221 CG1 VAL A 412 -6.833 9.066 -3.775 1.00 0.00 C ATOM 1222 CG2 VAL A 412 -7.174 7.171 -2.179 1.00 0.00 C ATOM 0 H VAL A 412 -6.559 8.568 0.167 1.00 0.00 H new ATOM 0 HA VAL A 412 -4.744 8.282 -1.951 1.00 0.00 H new ATOM 0 HB VAL A 412 -7.597 9.250 -1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 412 -7.795 8.816 -4.222 1.00 0.00 H new ATOM 0 HG12 VAL A 412 -6.664 10.140 -3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 412 -6.040 8.533 -4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 412 -8.117 6.971 -2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 412 -6.382 6.578 -2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 412 -7.266 6.903 -1.126 1.00 0.00 H new ATOM 1232 N GLU A 413 -5.679 11.422 -1.343 1.00 0.00 N ATOM 1233 CA GLU A 413 -5.338 12.818 -1.609 1.00 0.00 C ATOM 1234 C GLU A 413 -3.889 13.122 -1.199 1.00 0.00 C ATOM 1235 O GLU A 413 -3.127 13.688 -1.978 1.00 0.00 O ATOM 1236 CB GLU A 413 -6.421 13.741 -1.020 1.00 0.00 C ATOM 1237 CG GLU A 413 -6.620 13.590 0.493 1.00 0.00 C ATOM 1238 CD GLU A 413 -7.983 14.113 0.971 1.00 0.00 C ATOM 1239 OE1 GLU A 413 -8.999 13.461 0.632 1.00 0.00 O ATOM 1240 OE2 GLU A 413 -8.004 15.128 1.701 1.00 0.00 O ATOM 0 H GLU A 413 -6.446 11.300 -0.681 1.00 0.00 H new ATOM 0 HA GLU A 413 -5.347 13.022 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 413 -6.159 14.776 -1.239 1.00 0.00 H new ATOM 0 HB3 GLU A 413 -7.367 13.539 -1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 413 -6.524 12.539 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 413 -5.827 14.127 1.014 1.00 0.00 H new ATOM 1247 N SER A 414 -3.433 12.605 -0.059 1.00 0.00 N ATOM 1248 CA SER A 414 -2.064 12.802 0.414 1.00 0.00 C ATOM 1249 C SER A 414 -1.058 11.952 -0.384 1.00 0.00 C ATOM 1250 O SER A 414 0.134 12.260 -0.462 1.00 0.00 O ATOM 1251 CB SER A 414 -2.060 12.536 1.905 1.00 0.00 C ATOM 1252 OG SER A 414 -1.016 13.238 2.569 1.00 0.00 O ATOM 0 H SER A 414 -4.005 12.036 0.565 1.00 0.00 H new ATOM 0 HA SER A 414 -1.731 13.826 0.245 1.00 0.00 H new ATOM 0 HB2 SER A 414 -3.021 12.830 2.328 1.00 0.00 H new ATOM 0 HB3 SER A 414 -1.947 11.466 2.082 1.00 0.00 H new ATOM 0 HG SER A 414 -1.348 13.587 3.422 1.00 0.00 H new ATOM 1258 N LEU A 415 -1.520 10.821 -0.913 1.00 0.00 N ATOM 1259 CA LEU A 415 -0.831 10.075 -1.975 1.00 0.00 C ATOM 1260 C LEU A 415 -0.495 10.916 -3.199 1.00 0.00 C ATOM 1261 O LEU A 415 0.577 10.685 -3.763 1.00 0.00 O ATOM 1262 CB LEU A 415 -1.602 8.824 -2.449 1.00 0.00 C ATOM 1263 CG LEU A 415 -1.074 7.506 -1.895 1.00 0.00 C ATOM 1264 CD1 LEU A 415 -2.123 6.405 -2.122 1.00 0.00 C ATOM 1265 CD2 LEU A 415 0.243 7.172 -2.624 1.00 0.00 C ATOM 0 H LEU A 415 -2.394 10.388 -0.615 1.00 0.00 H new ATOM 0 HA LEU A 415 0.096 9.765 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -2.649 8.929 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 415 -1.570 8.784 -3.538 1.00 0.00 H new ATOM 0 HG LEU A 415 -0.884 7.580 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 415 -1.750 5.460 -1.727 1.00 0.00 H new ATOM 0 HD12 LEU A 415 -3.048 6.672 -1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 415 -2.316 6.301 -3.190 1.00 0.00 H new ATOM 0 HD21 LEU A 415 0.641 6.231 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 415 0.054 7.080 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.967 7.968 -2.451 1.00 0.00 H new