USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=19 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 374 TYR OH : rot 173:sc= -1.15! USER MOD Set 1.2: A 384 GLN : amide:sc= -2.03 K(o=-3.2,f=-2.3) USER MOD Set 2.1: A 381 ASN : amide:sc= 0.667 K(o=-0.73,f=-2.9) USER MOD Set 2.2: A 391 ASN : amide:sc= -1.4! K(o=-0.73!,f=-2.9) USER MOD Set 3.1: A 365 THR OG1 : rot -83:sc= 1.04 USER MOD Set 3.2: A 426 ASN : amide:sc= 0.884 K(o=1.4,f=-0.2) USER MOD Set 3.3: A 443 MET CE :methyl 167:sc= -0.565 (180deg=-1.22) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 372 TYR OH : rot 180:sc= 0 USER MOD Single : A 373 THR OG1 : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 379 TYR OH : rot 108:sc= 0.0949 USER MOD Single : A 386 SER OG : rot 180:sc= 0 USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 398 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.2) USER MOD Single : A 401 LYS NZ :NH3+ -147:sc= 1.25 (180deg=0.939) USER MOD Single : A 402 TYR OH : rot 150:sc= -0.0172 USER MOD Single : A 404 ASN : amide:sc= -0.189 X(o=-0.19,f=-0.45) USER MOD Single : A 406 GLN : amide:sc= -3.1! C(o=-3.1!,f=-2.7!) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 41:sc= 0.575 USER MOD Single : A 430 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN : amide:sc= -2.13! K(o=-2.1!,f=-0.065) USER MOD Single : A 436 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.12) USER MOD Single : A 439 TYR OH : rot 180:sc= 0 USER MOD Single : A 442 LYS NZ :NH3+ -157:sc= 1.24 (180deg=0.0426) USER MOD Single : A 444 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 138 N THR A 365 12.798 17.559 -3.908 1.00 22.24 N ATOM 139 CA THR A 365 13.531 18.780 -4.013 1.00 2.54 C ATOM 140 C THR A 365 13.732 19.064 -5.485 1.00 3.04 C ATOM 141 O THR A 365 14.075 18.156 -6.255 1.00 12.31 O ATOM 142 CB THR A 365 14.914 18.635 -3.352 1.00 2.24 C ATOM 143 OG1 THR A 365 14.764 18.027 -2.062 1.00 74.44 O ATOM 144 CG2 THR A 365 15.556 20.007 -3.170 1.00 13.01 C ATOM 0 HA THR A 365 12.985 19.583 -3.517 1.00 2.54 H new ATOM 0 HB THR A 365 15.545 18.018 -3.991 1.00 2.24 H new ATOM 0 HG1 THR A 365 14.518 18.711 -1.405 1.00 74.44 H new ATOM 0 HG21 THR A 365 16.534 19.892 -2.702 1.00 13.01 H new ATOM 0 HG22 THR A 365 15.673 20.486 -4.142 1.00 13.01 H new ATOM 0 HG23 THR A 365 14.920 20.625 -2.536 1.00 13.01 H new ATOM 152 N LYS A 366 13.506 20.284 -5.889 1.00 51.22 N ATOM 153 CA LYS A 366 13.629 20.621 -7.275 1.00 61.10 C ATOM 154 C LYS A 366 14.601 21.722 -7.446 1.00 25.21 C ATOM 155 O LYS A 366 14.635 22.665 -6.649 1.00 41.11 O ATOM 156 CB LYS A 366 12.290 21.021 -7.869 1.00 13.45 C ATOM 157 CG LYS A 366 11.244 19.953 -7.750 1.00 12.31 C ATOM 158 CD LYS A 366 9.940 20.389 -8.370 1.00 21.55 C ATOM 159 CE LYS A 366 8.870 19.337 -8.187 1.00 44.22 C ATOM 160 NZ LYS A 366 7.618 19.713 -8.864 1.00 23.41 N ATOM 0 H LYS A 366 13.237 21.056 -5.279 1.00 51.22 H new ATOM 0 HA LYS A 366 13.984 19.736 -7.803 1.00 61.10 H new ATOM 0 HB2 LYS A 366 11.935 21.924 -7.372 1.00 13.45 H new ATOM 0 HB3 LYS A 366 12.427 21.270 -8.921 1.00 13.45 H new ATOM 0 HG2 LYS A 366 11.594 19.043 -8.237 1.00 12.31 H new ATOM 0 HG3 LYS A 366 11.086 19.712 -6.699 1.00 12.31 H new ATOM 0 HD2 LYS A 366 9.614 21.326 -7.918 1.00 21.55 H new ATOM 0 HD3 LYS A 366 10.086 20.582 -9.433 1.00 21.55 H new ATOM 0 HE2 LYS A 366 9.225 18.384 -8.580 1.00 44.22 H new ATOM 0 HE3 LYS A 366 8.680 19.192 -7.124 1.00 44.22 H new ATOM 0 HZ1 LYS A 366 6.907 18.968 -8.717 1.00 23.41 H new ATOM 0 HZ2 LYS A 366 7.267 20.610 -8.471 1.00 23.41 H new ATOM 0 HZ3 LYS A 366 7.795 19.827 -9.883 1.00 23.41 H new ATOM 174 N ARG A 367 15.400 21.611 -8.446 1.00 44.41 N ATOM 175 CA ARG A 367 16.354 22.620 -8.734 1.00 24.12 C ATOM 176 C ARG A 367 16.656 22.500 -10.207 1.00 1.21 C ATOM 177 O ARG A 367 16.823 21.394 -10.697 1.00 51.31 O ATOM 178 CB ARG A 367 17.619 22.344 -7.943 1.00 5.42 C ATOM 179 CG ARG A 367 18.461 23.554 -7.616 1.00 74.31 C ATOM 180 CD ARG A 367 17.770 24.384 -6.548 1.00 63.52 C ATOM 181 NE ARG A 367 18.572 25.526 -6.119 1.00 34.54 N ATOM 182 CZ ARG A 367 18.238 26.371 -5.134 1.00 61.03 C ATOM 183 NH1 ARG A 367 17.097 26.206 -4.451 1.00 72.14 N ATOM 184 NH2 ARG A 367 19.051 27.373 -4.824 1.00 71.55 N ATOM 0 H ARG A 367 15.411 20.818 -9.088 1.00 44.41 H new ATOM 0 HA ARG A 367 15.985 23.613 -8.477 1.00 24.12 H new ATOM 0 HB2 ARG A 367 17.343 21.853 -7.010 1.00 5.42 H new ATOM 0 HB3 ARG A 367 18.231 21.639 -8.505 1.00 5.42 H new ATOM 0 HG2 ARG A 367 19.445 23.241 -7.267 1.00 74.31 H new ATOM 0 HG3 ARG A 367 18.617 24.154 -8.513 1.00 74.31 H new ATOM 0 HD2 ARG A 367 16.814 24.740 -6.932 1.00 63.52 H new ATOM 0 HD3 ARG A 367 17.553 23.753 -5.686 1.00 63.52 H new ATOM 0 HE ARG A 367 19.453 25.693 -6.606 1.00 34.54 H new ATOM 0 HH11 ARG A 367 16.474 25.432 -4.679 1.00 72.14 H new ATOM 0 HH12 ARG A 367 16.852 26.855 -3.703 1.00 72.14 H new ATOM 0 HH21 ARG A 367 19.925 27.497 -5.335 1.00 71.55 H new ATOM 0 HH22 ARG A 367 18.802 28.019 -4.075 1.00 71.55 H new ATOM 198 N GLU A 368 16.715 23.572 -10.912 1.00 22.34 N ATOM 199 CA GLU A 368 16.954 23.482 -12.307 1.00 23.01 C ATOM 200 C GLU A 368 18.386 23.825 -12.661 1.00 12.35 C ATOM 201 O GLU A 368 18.836 24.965 -12.508 1.00 4.31 O ATOM 202 CB GLU A 368 15.917 24.272 -13.102 1.00 53.33 C ATOM 203 CG GLU A 368 15.763 25.720 -12.696 1.00 30.32 C ATOM 204 CD GLU A 368 14.668 26.413 -13.454 1.00 61.23 C ATOM 205 OE1 GLU A 368 13.509 26.352 -13.012 1.00 60.21 O ATOM 206 OE2 GLU A 368 14.941 27.042 -14.497 1.00 12.33 O ATOM 0 H GLU A 368 16.602 24.518 -10.548 1.00 22.34 H new ATOM 0 HA GLU A 368 16.828 22.441 -12.603 1.00 23.01 H new ATOM 0 HB2 GLU A 368 16.185 24.234 -14.158 1.00 53.33 H new ATOM 0 HB3 GLU A 368 14.951 23.778 -13.000 1.00 53.33 H new ATOM 0 HG2 GLU A 368 15.553 25.775 -11.628 1.00 30.32 H new ATOM 0 HG3 GLU A 368 16.704 26.244 -12.863 1.00 30.32 H new ATOM 213 N ILE A 369 19.108 22.817 -13.087 1.00 11.24 N ATOM 214 CA ILE A 369 20.483 22.963 -13.492 1.00 12.40 C ATOM 215 C ILE A 369 20.561 22.832 -15.016 1.00 61.23 C ATOM 216 O ILE A 369 20.018 21.885 -15.588 1.00 73.53 O ATOM 217 CB ILE A 369 21.445 21.901 -12.803 1.00 51.30 C ATOM 218 CG1 ILE A 369 21.517 22.058 -11.255 1.00 40.10 C ATOM 219 CG2 ILE A 369 22.850 21.946 -13.389 1.00 5.15 C ATOM 220 CD1 ILE A 369 20.266 21.658 -10.497 1.00 12.44 C ATOM 0 H ILE A 369 18.753 21.864 -13.163 1.00 11.24 H new ATOM 0 HA ILE A 369 20.826 23.946 -13.169 1.00 12.40 H new ATOM 0 HB ILE A 369 21.002 20.928 -13.017 1.00 51.30 H new ATOM 0 HG12 ILE A 369 22.351 21.461 -10.886 1.00 40.10 H new ATOM 0 HG13 ILE A 369 21.743 23.099 -11.023 1.00 40.10 H new ATOM 0 HG21 ILE A 369 23.476 21.205 -12.891 1.00 5.15 H new ATOM 0 HG22 ILE A 369 22.807 21.726 -14.456 1.00 5.15 H new ATOM 0 HG23 ILE A 369 23.275 22.939 -13.240 1.00 5.15 H new ATOM 0 HD11 ILE A 369 20.425 21.807 -9.429 1.00 12.44 H new ATOM 0 HD12 ILE A 369 19.428 22.271 -10.828 1.00 12.44 H new ATOM 0 HD13 ILE A 369 20.045 20.608 -10.688 1.00 12.44 H new ATOM 232 N GLY A 370 21.205 23.796 -15.654 1.00 65.31 N ATOM 233 CA GLY A 370 21.360 23.806 -17.107 1.00 55.23 C ATOM 234 C GLY A 370 20.039 23.893 -17.861 1.00 31.30 C ATOM 235 O GLY A 370 19.952 23.507 -19.027 1.00 32.10 O ATOM 0 H GLY A 370 21.635 24.593 -15.185 1.00 65.31 H new ATOM 0 HA2 GLY A 370 21.987 24.651 -17.391 1.00 55.23 H new ATOM 0 HA3 GLY A 370 21.885 22.902 -17.414 1.00 55.23 H new ATOM 239 N GLY A 371 19.019 24.401 -17.199 1.00 34.35 N ATOM 240 CA GLY A 371 17.723 24.549 -17.822 1.00 63.05 C ATOM 241 C GLY A 371 16.788 23.396 -17.518 1.00 3.20 C ATOM 242 O GLY A 371 15.575 23.503 -17.726 1.00 4.13 O ATOM 0 H GLY A 371 19.064 24.718 -16.230 1.00 34.35 H new ATOM 0 HA2 GLY A 371 17.267 25.479 -17.483 1.00 63.05 H new ATOM 0 HA3 GLY A 371 17.851 24.631 -18.901 1.00 63.05 H new ATOM 246 N TYR A 372 17.333 22.308 -17.025 1.00 23.14 N ATOM 247 CA TYR A 372 16.541 21.140 -16.695 1.00 73.32 C ATOM 248 C TYR A 372 16.379 20.949 -15.200 1.00 23.40 C ATOM 249 O TYR A 372 17.309 21.128 -14.416 1.00 41.42 O ATOM 250 CB TYR A 372 16.984 19.863 -17.455 1.00 44.35 C ATOM 251 CG TYR A 372 18.470 19.667 -17.562 1.00 74.10 C ATOM 252 CD1 TYR A 372 19.208 20.345 -18.525 1.00 13.43 C ATOM 253 CD2 TYR A 372 19.129 18.831 -16.719 1.00 23.03 C ATOM 254 CE1 TYR A 372 20.572 20.182 -18.630 1.00 24.25 C ATOM 255 CE2 TYR A 372 20.495 18.664 -16.812 1.00 33.40 C ATOM 256 CZ TYR A 372 21.208 19.339 -17.763 1.00 62.31 C ATOM 257 OH TYR A 372 22.572 19.170 -17.836 1.00 14.23 O ATOM 0 H TYR A 372 18.331 22.205 -16.841 1.00 23.14 H new ATOM 0 HA TYR A 372 15.536 21.339 -17.067 1.00 73.32 H new ATOM 0 HB2 TYR A 372 16.554 18.995 -16.956 1.00 44.35 H new ATOM 0 HB3 TYR A 372 16.564 19.893 -18.460 1.00 44.35 H new ATOM 0 HD1 TYR A 372 18.702 21.014 -19.205 1.00 13.43 H new ATOM 0 HD2 TYR A 372 18.576 18.290 -15.966 1.00 23.03 H new ATOM 0 HE1 TYR A 372 21.130 20.713 -19.387 1.00 24.25 H new ATOM 0 HE2 TYR A 372 21.003 17.997 -16.131 1.00 33.40 H new ATOM 0 HH TYR A 372 22.861 18.537 -17.146 1.00 14.23 H new ATOM 267 N THR A 373 15.203 20.583 -14.834 1.00 64.34 N ATOM 268 CA THR A 373 14.781 20.531 -13.483 1.00 33.22 C ATOM 269 C THR A 373 15.071 19.186 -12.867 1.00 34.54 C ATOM 270 O THR A 373 14.500 18.171 -13.253 1.00 11.44 O ATOM 271 CB THR A 373 13.279 20.829 -13.404 1.00 65.35 C ATOM 272 OG1 THR A 373 13.017 22.050 -14.127 1.00 43.21 O ATOM 273 CG2 THR A 373 12.832 21.001 -11.955 1.00 61.34 C ATOM 0 H THR A 373 14.480 20.300 -15.496 1.00 64.34 H new ATOM 0 HA THR A 373 15.337 21.282 -12.922 1.00 33.22 H new ATOM 0 HB THR A 373 12.728 19.994 -13.837 1.00 65.35 H new ATOM 0 HG1 THR A 373 12.059 22.254 -14.088 1.00 43.21 H new ATOM 0 HG21 THR A 373 11.763 21.212 -11.927 1.00 61.34 H new ATOM 0 HG22 THR A 373 13.036 20.085 -11.400 1.00 61.34 H new ATOM 0 HG23 THR A 373 13.377 21.829 -11.502 1.00 61.34 H new ATOM 281 N TYR A 374 15.941 19.196 -11.927 1.00 54.22 N ATOM 282 CA TYR A 374 16.299 18.037 -11.207 1.00 65.53 C ATOM 283 C TYR A 374 15.355 17.840 -10.068 1.00 34.51 C ATOM 284 O TYR A 374 15.062 18.781 -9.323 1.00 21.32 O ATOM 285 CB TYR A 374 17.725 18.151 -10.687 1.00 22.11 C ATOM 286 CG TYR A 374 18.782 17.923 -11.721 1.00 74.11 C ATOM 287 CD1 TYR A 374 19.179 18.922 -12.591 1.00 20.35 C ATOM 288 CD2 TYR A 374 19.400 16.691 -11.815 1.00 41.51 C ATOM 289 CE1 TYR A 374 20.164 18.688 -13.520 1.00 73.34 C ATOM 290 CE2 TYR A 374 20.379 16.458 -12.741 1.00 32.23 C ATOM 291 CZ TYR A 374 20.757 17.451 -13.586 1.00 74.31 C ATOM 292 OH TYR A 374 21.743 17.207 -14.508 1.00 21.40 O ATOM 0 H TYR A 374 16.437 20.036 -11.630 1.00 54.22 H new ATOM 0 HA TYR A 374 16.242 17.178 -11.875 1.00 65.53 H new ATOM 0 HB2 TYR A 374 17.863 19.143 -10.257 1.00 22.11 H new ATOM 0 HB3 TYR A 374 17.863 17.431 -9.880 1.00 22.11 H new ATOM 0 HD1 TYR A 374 18.711 19.894 -12.540 1.00 20.35 H new ATOM 0 HD2 TYR A 374 19.105 15.897 -11.145 1.00 41.51 H new ATOM 0 HE1 TYR A 374 20.470 19.473 -14.195 1.00 73.34 H new ATOM 0 HE2 TYR A 374 20.850 15.488 -12.800 1.00 32.23 H new ATOM 0 HH TYR A 374 22.134 16.324 -14.343 1.00 21.40 H new ATOM 302 N LYS A 375 14.860 16.646 -9.952 1.00 75.22 N ATOM 303 CA LYS A 375 13.989 16.294 -8.882 1.00 73.15 C ATOM 304 C LYS A 375 14.663 15.221 -8.091 1.00 22.24 C ATOM 305 O LYS A 375 15.008 14.184 -8.642 1.00 64.31 O ATOM 306 CB LYS A 375 12.686 15.699 -9.430 1.00 13.54 C ATOM 307 CG LYS A 375 11.692 15.322 -8.331 1.00 71.22 C ATOM 308 CD LYS A 375 10.560 14.414 -8.823 1.00 0.22 C ATOM 309 CE LYS A 375 9.783 15.020 -9.964 1.00 1.01 C ATOM 310 NZ LYS A 375 8.671 14.149 -10.403 1.00 13.11 N ATOM 0 H LYS A 375 15.053 15.886 -10.604 1.00 75.22 H new ATOM 0 HA LYS A 375 13.769 17.179 -8.285 1.00 73.15 H new ATOM 0 HB2 LYS A 375 12.219 16.418 -10.103 1.00 13.54 H new ATOM 0 HB3 LYS A 375 12.918 14.813 -10.022 1.00 13.54 H new ATOM 0 HG2 LYS A 375 12.226 14.820 -7.524 1.00 71.22 H new ATOM 0 HG3 LYS A 375 11.262 16.232 -7.912 1.00 71.22 H new ATOM 0 HD2 LYS A 375 10.978 13.459 -9.140 1.00 0.22 H new ATOM 0 HD3 LYS A 375 9.881 14.206 -7.996 1.00 0.22 H new ATOM 0 HE2 LYS A 375 9.386 15.988 -9.658 1.00 1.01 H new ATOM 0 HE3 LYS A 375 10.454 15.201 -10.803 1.00 1.01 H new ATOM 0 HZ1 LYS A 375 8.163 14.604 -11.189 1.00 13.11 H new ATOM 0 HZ2 LYS A 375 9.051 13.234 -10.719 1.00 13.11 H new ATOM 0 HZ3 LYS A 375 8.016 13.996 -9.610 1.00 13.11 H new ATOM 324 N VAL A 376 14.832 15.437 -6.832 1.00 72.31 N ATOM 325 CA VAL A 376 15.398 14.434 -5.981 1.00 3.12 C ATOM 326 C VAL A 376 14.414 14.149 -4.889 1.00 21.21 C ATOM 327 O VAL A 376 14.145 15.003 -4.062 1.00 71.43 O ATOM 328 CB VAL A 376 16.755 14.862 -5.356 1.00 3.23 C ATOM 329 CG1 VAL A 376 17.332 13.737 -4.495 1.00 1.00 C ATOM 330 CG2 VAL A 376 17.754 15.265 -6.433 1.00 54.23 C ATOM 0 H VAL A 376 14.585 16.307 -6.360 1.00 72.31 H new ATOM 0 HA VAL A 376 15.600 13.550 -6.586 1.00 3.12 H new ATOM 0 HB VAL A 376 16.569 15.729 -4.722 1.00 3.23 H new ATOM 0 HG11 VAL A 376 18.282 14.057 -4.067 1.00 1.00 H new ATOM 0 HG12 VAL A 376 16.634 13.499 -3.692 1.00 1.00 H new ATOM 0 HG13 VAL A 376 17.492 12.852 -5.111 1.00 1.00 H new ATOM 0 HG21 VAL A 376 18.694 15.559 -5.966 1.00 54.23 H new ATOM 0 HG22 VAL A 376 17.929 14.421 -7.101 1.00 54.23 H new ATOM 0 HG23 VAL A 376 17.355 16.103 -7.004 1.00 54.23 H new ATOM 340 N VAL A 377 13.842 12.965 -4.910 1.00 51.53 N ATOM 341 CA VAL A 377 12.871 12.600 -3.909 1.00 53.14 C ATOM 342 C VAL A 377 13.583 12.144 -2.616 1.00 5.41 C ATOM 343 O VAL A 377 12.973 12.037 -1.537 1.00 1.15 O ATOM 344 CB VAL A 377 11.944 11.492 -4.427 1.00 64.21 C ATOM 345 CG1 VAL A 377 10.828 11.260 -3.445 1.00 11.53 C ATOM 346 CG2 VAL A 377 11.381 11.850 -5.805 1.00 11.44 C ATOM 0 H VAL A 377 14.033 12.244 -5.606 1.00 51.53 H new ATOM 0 HA VAL A 377 12.263 13.476 -3.685 1.00 53.14 H new ATOM 0 HB VAL A 377 12.523 10.574 -4.530 1.00 64.21 H new ATOM 0 HG11 VAL A 377 10.173 10.473 -3.818 1.00 11.53 H new ATOM 0 HG12 VAL A 377 11.246 10.960 -2.484 1.00 11.53 H new ATOM 0 HG13 VAL A 377 10.256 12.179 -3.321 1.00 11.53 H new ATOM 0 HG21 VAL A 377 10.727 11.049 -6.150 1.00 11.44 H new ATOM 0 HG22 VAL A 377 10.813 12.778 -5.736 1.00 11.44 H new ATOM 0 HG23 VAL A 377 12.201 11.978 -6.511 1.00 11.44 H new ATOM 356 N PHE A 378 14.877 11.852 -2.765 1.00 4.40 N ATOM 357 CA PHE A 378 15.790 11.436 -1.675 1.00 41.23 C ATOM 358 C PHE A 378 15.479 10.010 -1.165 1.00 62.15 C ATOM 359 O PHE A 378 16.155 9.498 -0.294 1.00 61.13 O ATOM 360 CB PHE A 378 15.812 12.491 -0.517 1.00 71.14 C ATOM 361 CG PHE A 378 16.882 12.284 0.544 1.00 13.43 C ATOM 362 CD1 PHE A 378 18.202 12.019 0.190 1.00 14.15 C ATOM 363 CD2 PHE A 378 16.564 12.357 1.888 1.00 4.44 C ATOM 364 CE1 PHE A 378 19.168 11.832 1.159 1.00 0.44 C ATOM 365 CE2 PHE A 378 17.529 12.174 2.859 1.00 14.31 C ATOM 366 CZ PHE A 378 18.831 11.911 2.494 1.00 43.43 C ATOM 0 H PHE A 378 15.342 11.897 -3.672 1.00 4.40 H new ATOM 0 HA PHE A 378 16.796 11.396 -2.092 1.00 41.23 H new ATOM 0 HB2 PHE A 378 15.947 13.480 -0.954 1.00 71.14 H new ATOM 0 HB3 PHE A 378 14.837 12.488 -0.029 1.00 71.14 H new ATOM 0 HD1 PHE A 378 18.473 11.959 -0.854 1.00 14.15 H new ATOM 0 HD2 PHE A 378 15.545 12.560 2.183 1.00 4.44 H new ATOM 0 HE1 PHE A 378 20.188 11.624 0.871 1.00 0.44 H new ATOM 0 HE2 PHE A 378 17.263 12.237 3.904 1.00 14.31 H new ATOM 0 HZ PHE A 378 19.587 11.767 3.252 1.00 43.43 H new ATOM 376 N TYR A 379 14.448 9.384 -1.726 1.00 43.14 N ATOM 377 CA TYR A 379 14.072 8.008 -1.350 1.00 52.23 C ATOM 378 C TYR A 379 13.507 7.249 -2.550 1.00 62.01 C ATOM 379 O TYR A 379 13.659 6.036 -2.656 1.00 12.41 O ATOM 380 CB TYR A 379 13.062 7.980 -0.175 1.00 54.43 C ATOM 381 CG TYR A 379 13.587 8.592 1.108 1.00 21.20 C ATOM 382 CD1 TYR A 379 14.312 7.835 2.022 1.00 30.44 C ATOM 383 CD2 TYR A 379 13.380 9.930 1.390 1.00 61.21 C ATOM 384 CE1 TYR A 379 14.810 8.406 3.178 1.00 22.31 C ATOM 385 CE2 TYR A 379 13.869 10.505 2.535 1.00 5.54 C ATOM 386 CZ TYR A 379 14.586 9.743 3.428 1.00 32.43 C ATOM 387 OH TYR A 379 15.082 10.323 4.578 1.00 12.44 O ATOM 0 H TYR A 379 13.853 9.800 -2.443 1.00 43.14 H new ATOM 0 HA TYR A 379 14.983 7.511 -1.015 1.00 52.23 H new ATOM 0 HB2 TYR A 379 12.158 8.510 -0.474 1.00 54.43 H new ATOM 0 HB3 TYR A 379 12.775 6.946 0.019 1.00 54.43 H new ATOM 0 HD1 TYR A 379 14.488 6.788 1.826 1.00 30.44 H new ATOM 0 HD2 TYR A 379 12.821 10.536 0.693 1.00 61.21 H new ATOM 0 HE1 TYR A 379 15.371 7.808 3.881 1.00 22.31 H new ATOM 0 HE2 TYR A 379 13.692 11.552 2.735 1.00 5.54 H new ATOM 0 HH TYR A 379 15.833 10.910 4.351 1.00 12.44 H new ATOM 397 N GLU A 380 12.846 7.967 -3.451 1.00 22.45 N ATOM 398 CA GLU A 380 12.299 7.359 -4.659 1.00 1.41 C ATOM 399 C GLU A 380 13.328 7.256 -5.776 1.00 14.03 C ATOM 400 O GLU A 380 13.840 6.167 -6.073 1.00 74.55 O ATOM 401 CB GLU A 380 11.061 8.106 -5.175 1.00 14.21 C ATOM 402 CG GLU A 380 9.807 7.925 -4.363 1.00 33.14 C ATOM 403 CD GLU A 380 8.607 8.565 -5.032 1.00 33.12 C ATOM 404 OE1 GLU A 380 8.031 7.943 -5.960 1.00 61.13 O ATOM 405 OE2 GLU A 380 8.214 9.685 -4.657 1.00 11.41 O ATOM 0 H GLU A 380 12.676 8.969 -3.368 1.00 22.45 H new ATOM 0 HA GLU A 380 12.004 6.351 -4.367 1.00 1.41 H new ATOM 0 HB2 GLU A 380 11.293 9.170 -5.219 1.00 14.21 H new ATOM 0 HB3 GLU A 380 10.862 7.780 -6.196 1.00 14.21 H new ATOM 0 HG2 GLU A 380 9.618 6.861 -4.218 1.00 33.14 H new ATOM 0 HG3 GLU A 380 9.948 8.362 -3.374 1.00 33.14 H new ATOM 412 N ASN A 381 13.618 8.388 -6.390 1.00 70.00 N ATOM 413 CA ASN A 381 14.512 8.475 -7.536 1.00 1.14 C ATOM 414 C ASN A 381 14.777 9.920 -7.910 1.00 30.41 C ATOM 415 O ASN A 381 14.325 10.841 -7.198 1.00 22.21 O ATOM 416 CB ASN A 381 13.973 7.671 -8.739 1.00 50.12 C ATOM 417 CG ASN A 381 12.501 7.891 -9.026 1.00 23.25 C ATOM 418 OD1 ASN A 381 11.936 8.942 -8.746 1.00 4.35 O ATOM 419 ND2 ASN A 381 11.875 6.885 -9.577 1.00 61.04 N ATOM 0 H ASN A 381 13.234 9.289 -6.104 1.00 70.00 H new ATOM 0 HA ASN A 381 15.462 8.026 -7.248 1.00 1.14 H new ATOM 0 HB2 ASN A 381 14.548 7.937 -9.626 1.00 50.12 H new ATOM 0 HB3 ASN A 381 14.141 6.610 -8.557 1.00 50.12 H new ATOM 0 HD21 ASN A 381 10.880 6.958 -9.789 1.00 61.04 H new ATOM 0 HD22 ASN A 381 12.381 6.027 -9.795 1.00 61.04 H new ATOM 426 N VAL A 382 15.544 10.126 -8.989 1.00 40.42 N ATOM 427 CA VAL A 382 15.904 11.462 -9.448 1.00 1.04 C ATOM 428 C VAL A 382 15.617 11.627 -10.943 1.00 41.12 C ATOM 429 O VAL A 382 15.938 10.741 -11.754 1.00 32.40 O ATOM 430 CB VAL A 382 17.407 11.768 -9.192 1.00 23.20 C ATOM 431 CG1 VAL A 382 17.760 13.170 -9.670 1.00 61.44 C ATOM 432 CG2 VAL A 382 17.750 11.615 -7.722 1.00 1.30 C ATOM 0 H VAL A 382 15.927 9.373 -9.561 1.00 40.42 H new ATOM 0 HA VAL A 382 15.294 12.163 -8.879 1.00 1.04 H new ATOM 0 HB VAL A 382 17.996 11.047 -9.759 1.00 23.20 H new ATOM 0 HG11 VAL A 382 18.816 13.364 -9.481 1.00 61.44 H new ATOM 0 HG12 VAL A 382 17.561 13.251 -10.739 1.00 61.44 H new ATOM 0 HG13 VAL A 382 17.156 13.901 -9.132 1.00 61.44 H new ATOM 0 HG21 VAL A 382 18.807 11.835 -7.570 1.00 1.30 H new ATOM 0 HG22 VAL A 382 17.147 12.307 -7.134 1.00 1.30 H new ATOM 0 HG23 VAL A 382 17.543 10.593 -7.404 1.00 1.30 H new ATOM 442 N PHE A 383 15.040 12.760 -11.300 1.00 44.32 N ATOM 443 CA PHE A 383 14.714 13.073 -12.686 1.00 62.14 C ATOM 444 C PHE A 383 15.324 14.406 -13.080 1.00 24.33 C ATOM 445 O PHE A 383 15.701 15.202 -12.224 1.00 62.32 O ATOM 446 CB PHE A 383 13.194 13.236 -12.884 1.00 61.42 C ATOM 447 CG PHE A 383 12.338 12.056 -12.551 1.00 24.01 C ATOM 448 CD1 PHE A 383 11.908 11.850 -11.259 1.00 12.44 C ATOM 449 CD2 PHE A 383 11.939 11.170 -13.537 1.00 13.22 C ATOM 450 CE1 PHE A 383 11.103 10.785 -10.945 1.00 24.53 C ATOM 451 CE2 PHE A 383 11.127 10.097 -13.231 1.00 5.33 C ATOM 452 CZ PHE A 383 10.709 9.905 -11.931 1.00 73.23 C ATOM 0 H PHE A 383 14.782 13.492 -10.639 1.00 44.32 H new ATOM 0 HA PHE A 383 15.100 12.250 -13.288 1.00 62.14 H new ATOM 0 HB2 PHE A 383 12.861 14.078 -12.278 1.00 61.42 H new ATOM 0 HB3 PHE A 383 13.014 13.502 -13.926 1.00 61.42 H new ATOM 0 HD1 PHE A 383 12.209 12.537 -10.482 1.00 12.44 H new ATOM 0 HD2 PHE A 383 12.266 11.320 -14.555 1.00 13.22 H new ATOM 0 HE1 PHE A 383 10.778 10.636 -9.926 1.00 24.53 H new ATOM 0 HE2 PHE A 383 10.820 9.411 -14.006 1.00 5.33 H new ATOM 0 HZ PHE A 383 10.074 9.067 -11.685 1.00 73.23 H new ATOM 462 N GLN A 384 15.416 14.612 -14.362 1.00 70.23 N ATOM 463 CA GLN A 384 15.715 15.890 -14.965 1.00 13.50 C ATOM 464 C GLN A 384 14.614 16.188 -15.946 1.00 33.22 C ATOM 465 O GLN A 384 14.645 15.746 -17.100 1.00 20.02 O ATOM 466 CB GLN A 384 17.113 15.960 -15.612 1.00 32.23 C ATOM 467 CG GLN A 384 17.495 14.737 -16.436 1.00 61.04 C ATOM 468 CD GLN A 384 18.881 14.823 -17.078 1.00 45.54 C ATOM 469 OE1 GLN A 384 19.117 14.256 -18.145 1.00 13.40 O ATOM 470 NE2 GLN A 384 19.804 15.502 -16.440 1.00 22.51 N ATOM 0 H GLN A 384 15.280 13.869 -15.047 1.00 70.23 H new ATOM 0 HA GLN A 384 15.753 16.653 -14.187 1.00 13.50 H new ATOM 0 HB2 GLN A 384 17.158 16.841 -16.252 1.00 32.23 H new ATOM 0 HB3 GLN A 384 17.856 16.098 -14.826 1.00 32.23 H new ATOM 0 HG2 GLN A 384 17.457 13.855 -15.796 1.00 61.04 H new ATOM 0 HG3 GLN A 384 16.752 14.594 -17.220 1.00 61.04 H new ATOM 0 HE21 GLN A 384 19.580 15.962 -15.557 1.00 22.51 H new ATOM 0 HE22 GLN A 384 20.746 15.570 -16.826 1.00 22.51 H new ATOM 479 N ASP A 385 13.607 16.875 -15.444 1.00 11.01 N ATOM 480 CA ASP A 385 12.369 17.145 -16.158 1.00 33.33 C ATOM 481 C ASP A 385 11.633 15.888 -16.555 1.00 70.43 C ATOM 482 O ASP A 385 10.846 15.350 -15.774 1.00 12.45 O ATOM 483 CB ASP A 385 12.509 18.137 -17.329 1.00 53.02 C ATOM 484 CG ASP A 385 12.484 19.576 -16.888 1.00 62.04 C ATOM 485 OD1 ASP A 385 11.391 20.122 -16.659 1.00 54.34 O ATOM 486 OD2 ASP A 385 13.537 20.186 -16.767 1.00 30.21 O ATOM 0 H ASP A 385 13.625 17.272 -14.505 1.00 11.01 H new ATOM 0 HA ASP A 385 11.745 17.659 -15.427 1.00 33.33 H new ATOM 0 HB2 ASP A 385 13.443 17.940 -17.855 1.00 53.02 H new ATOM 0 HB3 ASP A 385 11.701 17.967 -18.040 1.00 53.02 H new ATOM 491 N SER A 386 11.915 15.385 -17.713 1.00 40.13 N ATOM 492 CA SER A 386 11.229 14.228 -18.193 1.00 22.14 C ATOM 493 C SER A 386 12.150 13.004 -18.233 1.00 10.42 C ATOM 494 O SER A 386 11.685 11.871 -18.380 1.00 50.25 O ATOM 495 CB SER A 386 10.661 14.530 -19.575 1.00 64.53 C ATOM 496 OG SER A 386 9.847 15.703 -19.536 1.00 41.30 O ATOM 0 H SER A 386 12.620 15.759 -18.348 1.00 40.13 H new ATOM 0 HA SER A 386 10.416 13.988 -17.508 1.00 22.14 H new ATOM 0 HB2 SER A 386 11.475 14.668 -20.287 1.00 64.53 H new ATOM 0 HB3 SER A 386 10.072 13.683 -19.926 1.00 64.53 H new ATOM 0 HG SER A 386 9.491 15.884 -20.431 1.00 41.30 H new ATOM 502 N ILE A 387 13.447 13.219 -18.090 1.00 63.01 N ATOM 503 CA ILE A 387 14.401 12.124 -18.170 1.00 65.45 C ATOM 504 C ILE A 387 14.782 11.618 -16.781 1.00 20.12 C ATOM 505 O ILE A 387 15.208 12.385 -15.921 1.00 54.34 O ATOM 506 CB ILE A 387 15.682 12.523 -18.957 1.00 11.43 C ATOM 507 CG1 ILE A 387 15.317 12.964 -20.380 1.00 11.32 C ATOM 508 CG2 ILE A 387 16.681 11.363 -18.995 1.00 62.45 C ATOM 509 CD1 ILE A 387 16.507 13.402 -21.214 1.00 55.04 C ATOM 0 H ILE A 387 13.862 14.135 -17.919 1.00 63.01 H new ATOM 0 HA ILE A 387 13.906 11.320 -18.714 1.00 65.45 H new ATOM 0 HB ILE A 387 16.153 13.360 -18.442 1.00 11.43 H new ATOM 0 HG12 ILE A 387 14.814 12.140 -20.887 1.00 11.32 H new ATOM 0 HG13 ILE A 387 14.604 13.786 -20.323 1.00 11.32 H new ATOM 0 HG21 ILE A 387 17.569 11.665 -19.551 1.00 62.45 H new ATOM 0 HG22 ILE A 387 16.964 11.093 -17.978 1.00 62.45 H new ATOM 0 HG23 ILE A 387 16.222 10.504 -19.484 1.00 62.45 H new ATOM 0 HD11 ILE A 387 16.167 13.698 -22.206 1.00 55.04 H new ATOM 0 HD12 ILE A 387 16.998 14.247 -20.731 1.00 55.04 H new ATOM 0 HD13 ILE A 387 17.212 12.576 -21.304 1.00 55.04 H new ATOM 521 N LEU A 388 14.613 10.338 -16.578 1.00 34.32 N ATOM 522 CA LEU A 388 14.955 9.686 -15.329 1.00 1.33 C ATOM 523 C LEU A 388 16.452 9.373 -15.288 1.00 20.41 C ATOM 524 O LEU A 388 16.970 8.669 -16.161 1.00 34.22 O ATOM 525 CB LEU A 388 14.137 8.393 -15.203 1.00 12.22 C ATOM 526 CG LEU A 388 14.369 7.520 -13.965 1.00 44.32 C ATOM 527 CD1 LEU A 388 14.063 8.279 -12.690 1.00 32.22 C ATOM 528 CD2 LEU A 388 13.516 6.274 -14.051 1.00 5.35 C ATOM 0 H LEU A 388 14.230 9.706 -17.281 1.00 34.32 H new ATOM 0 HA LEU A 388 14.722 10.348 -14.495 1.00 1.33 H new ATOM 0 HB2 LEU A 388 13.081 8.661 -15.231 1.00 12.22 H new ATOM 0 HB3 LEU A 388 14.335 7.784 -16.085 1.00 12.22 H new ATOM 0 HG LEU A 388 15.421 7.237 -13.938 1.00 44.32 H new ATOM 0 HD11 LEU A 388 14.238 7.632 -11.830 1.00 32.22 H new ATOM 0 HD12 LEU A 388 14.710 9.154 -12.623 1.00 32.22 H new ATOM 0 HD13 LEU A 388 13.021 8.598 -12.698 1.00 32.22 H new ATOM 0 HD21 LEU A 388 13.684 5.656 -13.169 1.00 5.35 H new ATOM 0 HD22 LEU A 388 12.464 6.556 -14.102 1.00 5.35 H new ATOM 0 HD23 LEU A 388 13.784 5.711 -14.945 1.00 5.35 H new ATOM 540 N LEU A 389 17.143 9.917 -14.297 1.00 30.05 N ATOM 541 CA LEU A 389 18.568 9.654 -14.120 1.00 33.41 C ATOM 542 C LEU A 389 18.817 8.252 -13.598 1.00 53.43 C ATOM 543 O LEU A 389 19.680 7.543 -14.099 1.00 64.45 O ATOM 544 CB LEU A 389 19.204 10.664 -13.180 1.00 1.21 C ATOM 545 CG LEU A 389 19.165 12.116 -13.623 1.00 71.32 C ATOM 546 CD1 LEU A 389 19.832 12.986 -12.588 1.00 14.32 C ATOM 547 CD2 LEU A 389 19.858 12.278 -14.960 1.00 24.31 C ATOM 0 H LEU A 389 16.741 10.545 -13.601 1.00 30.05 H new ATOM 0 HA LEU A 389 19.028 9.747 -15.104 1.00 33.41 H new ATOM 0 HB2 LEU A 389 18.709 10.589 -12.212 1.00 1.21 H new ATOM 0 HB3 LEU A 389 20.246 10.381 -13.028 1.00 1.21 H new ATOM 0 HG LEU A 389 18.124 12.422 -13.730 1.00 71.32 H new ATOM 0 HD11 LEU A 389 19.801 14.026 -12.912 1.00 14.32 H new ATOM 0 HD12 LEU A 389 19.309 12.886 -11.637 1.00 14.32 H new ATOM 0 HD13 LEU A 389 20.870 12.675 -12.466 1.00 14.32 H new ATOM 0 HD21 LEU A 389 19.822 13.324 -15.264 1.00 24.31 H new ATOM 0 HD22 LEU A 389 20.897 11.962 -14.872 1.00 24.31 H new ATOM 0 HD23 LEU A 389 19.354 11.665 -15.708 1.00 24.31 H new ATOM 559 N GLY A 390 18.059 7.857 -12.602 1.00 51.31 N ATOM 560 CA GLY A 390 18.229 6.555 -12.021 1.00 11.35 C ATOM 561 C GLY A 390 17.217 6.308 -10.947 1.00 2.13 C ATOM 562 O GLY A 390 16.430 7.201 -10.624 1.00 50.23 O ATOM 0 H GLY A 390 17.321 8.421 -12.181 1.00 51.31 H new ATOM 0 HA2 GLY A 390 18.136 5.793 -12.795 1.00 11.35 H new ATOM 0 HA3 GLY A 390 19.233 6.467 -11.606 1.00 11.35 H new ATOM 566 N ASN A 391 17.250 5.130 -10.363 1.00 41.55 N ATOM 567 CA ASN A 391 16.282 4.745 -9.340 1.00 32.34 C ATOM 568 C ASN A 391 16.960 4.307 -8.142 1.00 14.30 C ATOM 569 O ASN A 391 18.095 3.849 -8.217 1.00 63.43 O ATOM 570 CB ASN A 391 15.325 3.654 -9.773 1.00 31.02 C ATOM 571 CG ASN A 391 14.397 4.088 -10.835 1.00 63.50 C ATOM 572 OD1 ASN A 391 13.323 4.623 -10.561 1.00 63.05 O ATOM 573 ND2 ASN A 391 14.762 3.863 -12.036 1.00 14.20 N ATOM 0 H ASN A 391 17.941 4.411 -10.577 1.00 41.55 H new ATOM 0 HA ASN A 391 15.691 5.642 -9.154 1.00 32.34 H new ATOM 0 HB2 ASN A 391 15.897 2.796 -10.126 1.00 31.02 H new ATOM 0 HB3 ASN A 391 14.750 3.320 -8.910 1.00 31.02 H new ATOM 0 HD21 ASN A 391 14.155 4.129 -12.812 1.00 14.20 H new ATOM 0 HD22 ASN A 391 15.661 3.417 -12.221 1.00 14.20 H new ATOM 580 N PHE A 392 16.285 4.446 -7.034 1.00 5.15 N ATOM 581 CA PHE A 392 16.862 4.080 -5.730 1.00 63.12 C ATOM 582 C PHE A 392 17.414 2.655 -5.775 1.00 41.21 C ATOM 583 O PHE A 392 16.667 1.681 -5.973 1.00 73.10 O ATOM 584 CB PHE A 392 15.817 4.216 -4.607 1.00 23.24 C ATOM 585 CG PHE A 392 16.325 3.835 -3.237 1.00 14.44 C ATOM 586 CD1 PHE A 392 17.089 4.717 -2.494 1.00 44.12 C ATOM 587 CD2 PHE A 392 16.033 2.590 -2.695 1.00 62.21 C ATOM 588 CE1 PHE A 392 17.555 4.365 -1.242 1.00 60.32 C ATOM 589 CE2 PHE A 392 16.497 2.235 -1.445 1.00 22.04 C ATOM 590 CZ PHE A 392 17.257 3.125 -0.718 1.00 4.25 C ATOM 0 H PHE A 392 15.333 4.809 -6.988 1.00 5.15 H new ATOM 0 HA PHE A 392 17.681 4.767 -5.515 1.00 63.12 H new ATOM 0 HB2 PHE A 392 15.465 5.247 -4.577 1.00 23.24 H new ATOM 0 HB3 PHE A 392 14.957 3.592 -4.849 1.00 23.24 H new ATOM 0 HD1 PHE A 392 17.324 5.691 -2.897 1.00 44.12 H new ATOM 0 HD2 PHE A 392 15.435 1.890 -3.260 1.00 62.21 H new ATOM 0 HE1 PHE A 392 18.153 5.062 -0.673 1.00 60.32 H new ATOM 0 HE2 PHE A 392 16.265 1.262 -1.038 1.00 22.04 H new ATOM 0 HZ PHE A 392 17.619 2.851 0.262 1.00 4.25 H new ATOM 600 N ALA A 393 18.708 2.547 -5.625 1.00 14.25 N ATOM 601 CA ALA A 393 19.372 1.277 -5.676 1.00 1.32 C ATOM 602 C ALA A 393 19.986 0.947 -4.343 1.00 65.44 C ATOM 603 O ALA A 393 19.744 -0.114 -3.784 1.00 15.30 O ATOM 604 CB ALA A 393 20.434 1.281 -6.770 1.00 60.14 C ATOM 0 H ALA A 393 19.329 3.340 -5.464 1.00 14.25 H new ATOM 0 HA ALA A 393 18.635 0.509 -5.911 1.00 1.32 H new ATOM 0 HB1 ALA A 393 20.931 0.311 -6.798 1.00 60.14 H new ATOM 0 HB2 ALA A 393 19.963 1.476 -7.734 1.00 60.14 H new ATOM 0 HB3 ALA A 393 21.168 2.059 -6.561 1.00 60.14 H new ATOM 610 N SER A 394 20.759 1.862 -3.825 1.00 21.15 N ATOM 611 CA SER A 394 21.457 1.636 -2.601 1.00 33.40 C ATOM 612 C SER A 394 21.627 2.934 -1.841 1.00 12.20 C ATOM 613 O SER A 394 21.626 4.025 -2.437 1.00 2.13 O ATOM 614 CB SER A 394 22.836 1.004 -2.909 1.00 5.32 C ATOM 615 OG SER A 394 23.609 0.801 -1.731 1.00 15.04 O ATOM 0 H SER A 394 20.919 2.779 -4.241 1.00 21.15 H new ATOM 0 HA SER A 394 20.879 0.953 -1.978 1.00 33.40 H new ATOM 0 HB2 SER A 394 22.692 0.050 -3.416 1.00 5.32 H new ATOM 0 HB3 SER A 394 23.385 1.649 -3.595 1.00 5.32 H new ATOM 0 HG SER A 394 24.470 0.399 -1.970 1.00 15.04 H new ATOM 621 N GLN A 395 21.745 2.812 -0.540 1.00 62.24 N ATOM 622 CA GLN A 395 22.026 3.909 0.328 1.00 51.34 C ATOM 623 C GLN A 395 23.175 3.510 1.248 1.00 44.51 C ATOM 624 O GLN A 395 23.088 2.537 1.994 1.00 73.45 O ATOM 625 CB GLN A 395 20.773 4.334 1.127 1.00 4.22 C ATOM 626 CG GLN A 395 20.142 3.239 1.980 1.00 73.01 C ATOM 627 CD GLN A 395 18.928 3.720 2.748 1.00 30.52 C ATOM 628 OE1 GLN A 395 18.209 4.619 2.313 1.00 44.22 O ATOM 629 NE2 GLN A 395 18.691 3.138 3.891 1.00 51.20 N ATOM 0 H GLN A 395 21.644 1.921 -0.053 1.00 62.24 H new ATOM 0 HA GLN A 395 22.318 4.778 -0.261 1.00 51.34 H new ATOM 0 HB2 GLN A 395 21.042 5.168 1.776 1.00 4.22 H new ATOM 0 HB3 GLN A 395 20.024 4.703 0.427 1.00 4.22 H new ATOM 0 HG2 GLN A 395 19.854 2.406 1.339 1.00 73.01 H new ATOM 0 HG3 GLN A 395 20.884 2.859 2.683 1.00 73.01 H new ATOM 0 HE21 GLN A 395 19.307 2.396 4.223 1.00 51.20 H new ATOM 0 HE22 GLN A 395 17.890 3.425 4.453 1.00 51.20 H new ATOM 638 N GLU A 396 24.243 4.229 1.166 1.00 34.53 N ATOM 639 CA GLU A 396 25.424 3.952 1.942 1.00 12.21 C ATOM 640 C GLU A 396 25.756 5.170 2.759 1.00 12.43 C ATOM 641 O GLU A 396 26.235 6.179 2.232 1.00 13.32 O ATOM 642 CB GLU A 396 26.579 3.560 1.014 1.00 70.52 C ATOM 643 CG GLU A 396 26.295 2.290 0.215 1.00 64.01 C ATOM 644 CD GLU A 396 27.332 1.999 -0.835 1.00 45.43 C ATOM 645 OE1 GLU A 396 27.175 2.475 -1.986 1.00 61.33 O ATOM 646 OE2 GLU A 396 28.306 1.281 -0.541 1.00 41.10 O ATOM 0 H GLU A 396 24.331 5.039 0.552 1.00 34.53 H new ATOM 0 HA GLU A 396 25.251 3.114 2.617 1.00 12.21 H new ATOM 0 HB2 GLU A 396 26.778 4.380 0.324 1.00 70.52 H new ATOM 0 HB3 GLU A 396 27.482 3.416 1.607 1.00 70.52 H new ATOM 0 HG2 GLU A 396 26.236 1.444 0.900 1.00 64.01 H new ATOM 0 HG3 GLU A 396 25.320 2.381 -0.264 1.00 64.01 H new ATOM 653 N GLY A 397 25.465 5.096 4.032 1.00 75.21 N ATOM 654 CA GLY A 397 25.642 6.225 4.887 1.00 70.35 C ATOM 655 C GLY A 397 24.602 7.263 4.576 1.00 71.24 C ATOM 656 O GLY A 397 23.403 6.983 4.635 1.00 70.21 O ATOM 0 H GLY A 397 25.104 4.261 4.494 1.00 75.21 H new ATOM 0 HA2 GLY A 397 25.564 5.919 5.930 1.00 70.35 H new ATOM 0 HA3 GLY A 397 26.639 6.643 4.751 1.00 70.35 H new ATOM 660 N ASN A 398 25.035 8.435 4.222 1.00 35.31 N ATOM 661 CA ASN A 398 24.117 9.490 3.869 1.00 2.43 C ATOM 662 C ASN A 398 24.171 9.715 2.343 1.00 12.31 C ATOM 663 O ASN A 398 23.669 10.703 1.812 1.00 44.51 O ATOM 664 CB ASN A 398 24.460 10.768 4.654 1.00 74.21 C ATOM 665 CG ASN A 398 23.378 11.834 4.564 1.00 40.31 C ATOM 666 OD1 ASN A 398 22.196 11.531 4.407 1.00 24.31 O ATOM 667 ND2 ASN A 398 23.759 13.072 4.711 1.00 42.15 N ATOM 0 H ASN A 398 26.021 8.691 4.168 1.00 35.31 H new ATOM 0 HA ASN A 398 23.098 9.211 4.135 1.00 2.43 H new ATOM 0 HB2 ASN A 398 24.622 10.511 5.701 1.00 74.21 H new ATOM 0 HB3 ASN A 398 25.397 11.178 4.277 1.00 74.21 H new ATOM 0 HD21 ASN A 398 23.069 13.823 4.698 1.00 42.15 H new ATOM 0 HD22 ASN A 398 24.747 13.290 4.839 1.00 42.15 H new ATOM 674 N VAL A 399 24.788 8.772 1.644 1.00 74.10 N ATOM 675 CA VAL A 399 24.909 8.836 0.199 1.00 3.52 C ATOM 676 C VAL A 399 24.011 7.798 -0.460 1.00 4.43 C ATOM 677 O VAL A 399 24.101 6.606 -0.164 1.00 11.40 O ATOM 678 CB VAL A 399 26.368 8.609 -0.272 1.00 42.21 C ATOM 679 CG1 VAL A 399 26.445 8.614 -1.790 1.00 31.41 C ATOM 680 CG2 VAL A 399 27.282 9.676 0.302 1.00 42.52 C ATOM 0 H VAL A 399 25.216 7.946 2.063 1.00 74.10 H new ATOM 0 HA VAL A 399 24.601 9.838 -0.098 1.00 3.52 H new ATOM 0 HB VAL A 399 26.697 7.635 0.090 1.00 42.21 H new ATOM 0 HG11 VAL A 399 27.477 8.453 -2.103 1.00 31.41 H new ATOM 0 HG12 VAL A 399 25.817 7.818 -2.189 1.00 31.41 H new ATOM 0 HG13 VAL A 399 26.097 9.575 -2.169 1.00 31.41 H new ATOM 0 HG21 VAL A 399 28.303 9.502 -0.038 1.00 42.52 H new ATOM 0 HG22 VAL A 399 26.950 10.658 -0.034 1.00 42.52 H new ATOM 0 HG23 VAL A 399 27.251 9.635 1.391 1.00 42.52 H new ATOM 690 N LEU A 400 23.160 8.247 -1.341 1.00 21.31 N ATOM 691 CA LEU A 400 22.267 7.362 -2.047 1.00 31.43 C ATOM 692 C LEU A 400 22.636 7.302 -3.512 1.00 50.54 C ATOM 693 O LEU A 400 22.964 8.332 -4.126 1.00 12.02 O ATOM 694 CB LEU A 400 20.791 7.771 -1.899 1.00 4.33 C ATOM 695 CG LEU A 400 20.134 7.646 -0.505 1.00 34.00 C ATOM 696 CD1 LEU A 400 20.702 8.623 0.513 1.00 11.43 C ATOM 697 CD2 LEU A 400 18.644 7.804 -0.621 1.00 10.32 C ATOM 0 H LEU A 400 23.064 9.231 -1.591 1.00 21.31 H new ATOM 0 HA LEU A 400 22.380 6.376 -1.597 1.00 31.43 H new ATOM 0 HB2 LEU A 400 20.700 8.809 -2.218 1.00 4.33 H new ATOM 0 HB3 LEU A 400 20.208 7.171 -2.597 1.00 4.33 H new ATOM 0 HG LEU A 400 20.367 6.648 -0.132 1.00 34.00 H new ATOM 0 HD11 LEU A 400 20.199 8.484 1.470 1.00 11.43 H new ATOM 0 HD12 LEU A 400 21.770 8.442 0.635 1.00 11.43 H new ATOM 0 HD13 LEU A 400 20.544 9.644 0.165 1.00 11.43 H new ATOM 0 HD21 LEU A 400 18.191 7.714 0.366 1.00 10.32 H new ATOM 0 HD22 LEU A 400 18.413 8.784 -1.039 1.00 10.32 H new ATOM 0 HD23 LEU A 400 18.246 7.028 -1.275 1.00 10.32 H new ATOM 709 N LYS A 401 22.593 6.116 -4.074 1.00 75.30 N ATOM 710 CA LYS A 401 22.924 5.934 -5.461 1.00 43.15 C ATOM 711 C LYS A 401 21.652 5.482 -6.184 1.00 63.54 C ATOM 712 O LYS A 401 20.921 4.592 -5.705 1.00 11.40 O ATOM 713 CB LYS A 401 24.030 4.865 -5.609 1.00 50.11 C ATOM 714 CG LYS A 401 25.015 5.074 -6.777 1.00 1.55 C ATOM 715 CD LYS A 401 24.359 5.096 -8.151 1.00 34.03 C ATOM 716 CE LYS A 401 23.748 3.761 -8.558 1.00 31.43 C ATOM 717 NZ LYS A 401 24.746 2.663 -8.590 1.00 52.11 N ATOM 0 H LYS A 401 22.330 5.260 -3.585 1.00 75.30 H new ATOM 0 HA LYS A 401 23.297 6.864 -5.890 1.00 43.15 H new ATOM 0 HB2 LYS A 401 24.600 4.828 -4.681 1.00 50.11 H new ATOM 0 HB3 LYS A 401 23.554 3.892 -5.730 1.00 50.11 H new ATOM 0 HG2 LYS A 401 25.546 6.014 -6.626 1.00 1.55 H new ATOM 0 HG3 LYS A 401 25.760 4.279 -6.755 1.00 1.55 H new ATOM 0 HD2 LYS A 401 23.581 5.860 -8.161 1.00 34.03 H new ATOM 0 HD3 LYS A 401 25.101 5.388 -8.894 1.00 34.03 H new ATOM 0 HE2 LYS A 401 22.951 3.503 -7.861 1.00 31.43 H new ATOM 0 HE3 LYS A 401 23.290 3.860 -9.542 1.00 31.43 H new ATOM 0 HZ1 LYS A 401 24.496 1.988 -9.340 1.00 52.11 H new ATOM 0 HZ2 LYS A 401 25.690 3.057 -8.780 1.00 52.11 H new ATOM 0 HZ3 LYS A 401 24.753 2.174 -7.672 1.00 52.11 H new ATOM 731 N TYR A 402 21.401 6.079 -7.311 1.00 34.24 N ATOM 732 CA TYR A 402 20.251 5.813 -8.113 1.00 12.23 C ATOM 733 C TYR A 402 20.743 5.281 -9.424 1.00 52.32 C ATOM 734 O TYR A 402 21.537 5.932 -10.097 1.00 15.33 O ATOM 735 CB TYR A 402 19.448 7.098 -8.324 1.00 2.42 C ATOM 736 CG TYR A 402 18.952 7.735 -7.043 1.00 2.22 C ATOM 737 CD1 TYR A 402 19.752 8.607 -6.324 1.00 63.33 C ATOM 738 CD2 TYR A 402 17.688 7.465 -6.559 1.00 20.43 C ATOM 739 CE1 TYR A 402 19.304 9.189 -5.163 1.00 32.53 C ATOM 740 CE2 TYR A 402 17.231 8.045 -5.394 1.00 53.23 C ATOM 741 CZ TYR A 402 18.047 8.905 -4.702 1.00 2.33 C ATOM 742 OH TYR A 402 17.599 9.496 -3.555 1.00 54.23 O ATOM 0 H TYR A 402 22.015 6.790 -7.709 1.00 34.24 H new ATOM 0 HA TYR A 402 19.595 5.091 -7.627 1.00 12.23 H new ATOM 0 HB2 TYR A 402 20.068 7.818 -8.858 1.00 2.42 H new ATOM 0 HB3 TYR A 402 18.593 6.878 -8.963 1.00 2.42 H new ATOM 0 HD1 TYR A 402 20.745 8.834 -6.682 1.00 63.33 H new ATOM 0 HD2 TYR A 402 17.045 6.788 -7.102 1.00 20.43 H new ATOM 0 HE1 TYR A 402 19.941 9.868 -4.616 1.00 32.53 H new ATOM 0 HE2 TYR A 402 16.239 7.824 -5.029 1.00 53.23 H new ATOM 0 HH TYR A 402 16.626 9.602 -3.600 1.00 54.23 H new ATOM 752 N GLU A 403 20.307 4.119 -9.789 1.00 24.21 N ATOM 753 CA GLU A 403 20.865 3.462 -10.936 1.00 63.12 C ATOM 754 C GLU A 403 19.800 3.104 -11.912 1.00 23.22 C ATOM 755 O GLU A 403 18.615 3.025 -11.536 1.00 42.24 O ATOM 756 CB GLU A 403 21.487 2.163 -10.482 1.00 43.41 C ATOM 757 CG GLU A 403 22.603 1.693 -11.360 1.00 11.42 C ATOM 758 CD GLU A 403 23.220 0.417 -10.865 1.00 30.01 C ATOM 759 OE1 GLU A 403 23.935 0.459 -9.842 1.00 54.52 O ATOM 760 OE2 GLU A 403 23.020 -0.646 -11.499 1.00 55.04 O ATOM 0 H GLU A 403 19.567 3.602 -9.313 1.00 24.21 H new ATOM 0 HA GLU A 403 21.588 4.133 -11.400 1.00 63.12 H new ATOM 0 HB2 GLU A 403 21.862 2.285 -9.466 1.00 43.41 H new ATOM 0 HB3 GLU A 403 20.716 1.394 -10.446 1.00 43.41 H new ATOM 0 HG2 GLU A 403 22.227 1.543 -12.372 1.00 11.42 H new ATOM 0 HG3 GLU A 403 23.369 2.467 -11.415 1.00 11.42 H new ATOM 767 N ASN A 404 20.212 2.907 -13.163 1.00 42.24 N ATOM 768 CA ASN A 404 19.361 2.293 -14.158 1.00 12.23 C ATOM 769 C ASN A 404 18.179 3.186 -14.539 1.00 51.40 C ATOM 770 O ASN A 404 17.004 2.795 -14.443 1.00 14.22 O ATOM 771 CB ASN A 404 18.949 0.894 -13.663 1.00 14.42 C ATOM 772 CG ASN A 404 18.113 0.088 -14.613 1.00 34.43 C ATOM 773 OD1 ASN A 404 18.203 0.221 -15.839 1.00 14.31 O ATOM 774 ND2 ASN A 404 17.305 -0.760 -14.047 1.00 22.53 N ATOM 0 H ASN A 404 21.137 3.168 -13.505 1.00 42.24 H new ATOM 0 HA ASN A 404 19.914 2.171 -15.089 1.00 12.23 H new ATOM 0 HB2 ASN A 404 19.853 0.329 -13.434 1.00 14.42 H new ATOM 0 HB3 ASN A 404 18.398 1.007 -12.729 1.00 14.42 H new ATOM 0 HD21 ASN A 404 16.707 -1.355 -14.620 1.00 22.53 H new ATOM 0 HD22 ASN A 404 17.270 -0.830 -13.030 1.00 22.53 H new ATOM 781 N GLY A 405 18.493 4.416 -14.886 1.00 22.32 N ATOM 782 CA GLY A 405 17.480 5.331 -15.335 1.00 2.13 C ATOM 783 C GLY A 405 17.274 5.178 -16.821 1.00 10.43 C ATOM 784 O GLY A 405 17.177 4.052 -17.328 1.00 73.42 O ATOM 0 H GLY A 405 19.438 4.799 -14.864 1.00 22.32 H new ATOM 0 HA2 GLY A 405 16.545 5.140 -14.808 1.00 2.13 H new ATOM 0 HA3 GLY A 405 17.773 6.355 -15.103 1.00 2.13 H new ATOM 788 N GLN A 406 17.202 6.265 -17.527 1.00 75.41 N ATOM 789 CA GLN A 406 17.065 6.196 -18.958 1.00 32.35 C ATOM 790 C GLN A 406 18.399 6.017 -19.624 1.00 53.30 C ATOM 791 O GLN A 406 19.410 6.554 -19.166 1.00 71.35 O ATOM 792 CB GLN A 406 16.362 7.383 -19.541 1.00 44.53 C ATOM 793 CG GLN A 406 14.923 7.536 -19.127 1.00 52.34 C ATOM 794 CD GLN A 406 14.240 8.598 -19.927 1.00 62.12 C ATOM 795 OE1 GLN A 406 13.340 9.269 -19.448 1.00 14.03 O ATOM 796 NE2 GLN A 406 14.641 8.746 -21.159 1.00 24.42 N ATOM 0 H GLN A 406 17.235 7.209 -17.142 1.00 75.41 H new ATOM 0 HA GLN A 406 16.443 5.323 -19.154 1.00 32.35 H new ATOM 0 HB2 GLN A 406 16.904 8.284 -19.255 1.00 44.53 H new ATOM 0 HB3 GLN A 406 16.407 7.315 -20.628 1.00 44.53 H new ATOM 0 HG2 GLN A 406 14.402 6.588 -19.257 1.00 52.34 H new ATOM 0 HG3 GLN A 406 14.871 7.786 -18.067 1.00 52.34 H new ATOM 0 HE21 GLN A 406 15.397 8.166 -21.523 1.00 24.42 H new ATOM 0 HE22 GLN A 406 14.199 9.442 -21.759 1.00 24.42 H new ATOM 805 N SER A 407 18.393 5.295 -20.708 1.00 54.23 N ATOM 806 CA SER A 407 19.597 4.977 -21.434 1.00 30.01 C ATOM 807 C SER A 407 20.343 6.243 -21.865 1.00 40.23 C ATOM 808 O SER A 407 19.738 7.235 -22.302 1.00 61.50 O ATOM 809 CB SER A 407 19.251 4.096 -22.626 1.00 21.45 C ATOM 810 OG SER A 407 18.554 2.942 -22.176 1.00 4.42 O ATOM 0 H SER A 407 17.545 4.905 -21.120 1.00 54.23 H new ATOM 0 HA SER A 407 20.271 4.428 -20.777 1.00 30.01 H new ATOM 0 HB2 SER A 407 18.637 4.651 -23.336 1.00 21.45 H new ATOM 0 HB3 SER A 407 20.160 3.803 -23.151 1.00 21.45 H new ATOM 0 HG SER A 407 18.330 2.375 -22.943 1.00 4.42 H new ATOM 816 N CYS A 408 21.634 6.221 -21.693 1.00 44.33 N ATOM 817 CA CYS A 408 22.482 7.345 -22.038 1.00 11.51 C ATOM 818 C CYS A 408 22.976 7.170 -23.449 1.00 40.44 C ATOM 819 O CYS A 408 23.249 8.125 -24.164 1.00 10.45 O ATOM 820 CB CYS A 408 23.664 7.404 -21.065 1.00 61.03 C ATOM 821 SG CYS A 408 24.909 8.684 -21.419 1.00 31.40 S ATOM 0 H CYS A 408 22.138 5.422 -21.308 1.00 44.33 H new ATOM 0 HA CYS A 408 21.920 8.276 -21.968 1.00 11.51 H new ATOM 0 HB2 CYS A 408 23.276 7.568 -20.060 1.00 61.03 H new ATOM 0 HB3 CYS A 408 24.158 6.432 -21.062 1.00 61.03 H new ATOM 889 N ARG A 414 22.606 5.064 -17.297 1.00 14.41 N ATOM 890 CA ARG A 414 22.633 6.346 -16.585 1.00 24.35 C ATOM 891 C ARG A 414 22.491 6.127 -15.078 1.00 43.22 C ATOM 892 O ARG A 414 21.908 5.123 -14.624 1.00 5.52 O ATOM 893 CB ARG A 414 21.536 7.265 -17.132 1.00 64.31 C ATOM 894 CG ARG A 414 21.603 8.714 -16.735 1.00 31.44 C ATOM 895 CD ARG A 414 20.428 9.466 -17.334 1.00 2.14 C ATOM 896 NE ARG A 414 20.278 9.191 -18.769 1.00 41.32 N ATOM 897 CZ ARG A 414 20.123 10.102 -19.732 1.00 54.34 C ATOM 898 NH1 ARG A 414 20.126 11.395 -19.446 1.00 31.24 N ATOM 899 NH2 ARG A 414 19.953 9.712 -20.982 1.00 2.23 N ATOM 0 HA ARG A 414 23.595 6.831 -16.751 1.00 24.35 H new ATOM 0 HB2 ARG A 414 21.559 7.210 -18.220 1.00 64.31 H new ATOM 0 HB3 ARG A 414 20.572 6.870 -16.813 1.00 64.31 H new ATOM 0 HG2 ARG A 414 21.589 8.804 -15.649 1.00 31.44 H new ATOM 0 HG3 ARG A 414 22.540 9.152 -17.079 1.00 31.44 H new ATOM 0 HD2 ARG A 414 19.513 9.185 -16.813 1.00 2.14 H new ATOM 0 HD3 ARG A 414 20.566 10.536 -17.182 1.00 2.14 H new ATOM 0 HE ARG A 414 20.294 8.212 -19.056 1.00 41.32 H new ATOM 0 HH11 ARG A 414 20.248 11.704 -18.481 1.00 31.24 H new ATOM 0 HH12 ARG A 414 20.007 12.082 -20.190 1.00 31.24 H new ATOM 0 HH21 ARG A 414 19.940 8.718 -21.209 1.00 2.23 H new ATOM 0 HH22 ARG A 414 19.834 10.405 -21.721 1.00 2.23 H new ATOM 913 N SER A 415 23.063 7.007 -14.302 1.00 72.24 N ATOM 914 CA SER A 415 22.982 6.906 -12.872 1.00 2.32 C ATOM 915 C SER A 415 23.015 8.283 -12.231 1.00 11.43 C ATOM 916 O SER A 415 23.448 9.260 -12.848 1.00 31.12 O ATOM 917 CB SER A 415 24.121 6.023 -12.333 1.00 41.31 C ATOM 918 OG SER A 415 24.038 4.708 -12.870 1.00 2.12 O ATOM 0 H SER A 415 23.595 7.809 -14.641 1.00 72.24 H new ATOM 0 HA SER A 415 22.032 6.438 -12.612 1.00 2.32 H new ATOM 0 HB2 SER A 415 25.083 6.466 -12.590 1.00 41.31 H new ATOM 0 HB3 SER A 415 24.070 5.980 -11.245 1.00 41.31 H new ATOM 0 HG SER A 415 24.772 4.163 -12.516 1.00 2.12 H new ATOM 924 N ALA A 416 22.547 8.352 -11.018 1.00 34.02 N ATOM 925 CA ALA A 416 22.545 9.562 -10.245 1.00 14.22 C ATOM 926 C ALA A 416 23.037 9.227 -8.863 1.00 74.34 C ATOM 927 O ALA A 416 22.576 8.273 -8.259 1.00 72.10 O ATOM 928 CB ALA A 416 21.139 10.159 -10.187 1.00 13.11 C ATOM 0 H ALA A 416 22.147 7.552 -10.528 1.00 34.02 H new ATOM 0 HA ALA A 416 23.196 10.305 -10.705 1.00 14.22 H new ATOM 0 HB1 ALA A 416 21.157 11.075 -9.597 1.00 13.11 H new ATOM 0 HB2 ALA A 416 20.797 10.384 -11.197 1.00 13.11 H new ATOM 0 HB3 ALA A 416 20.459 9.443 -9.725 1.00 13.11 H new ATOM 934 N ILE A 417 23.973 9.962 -8.382 1.00 22.22 N ATOM 935 CA ILE A 417 24.525 9.713 -7.081 1.00 24.44 C ATOM 936 C ILE A 417 24.413 10.986 -6.260 1.00 1.33 C ATOM 937 O ILE A 417 24.958 12.017 -6.619 1.00 32.23 O ATOM 938 CB ILE A 417 26.007 9.159 -7.208 1.00 53.14 C ATOM 939 CG1 ILE A 417 26.676 8.778 -5.853 1.00 22.44 C ATOM 940 CG2 ILE A 417 26.889 10.082 -8.014 1.00 44.51 C ATOM 941 CD1 ILE A 417 27.068 9.938 -4.951 1.00 64.14 C ATOM 0 H ILE A 417 24.385 10.756 -8.872 1.00 22.22 H new ATOM 0 HA ILE A 417 23.968 8.936 -6.558 1.00 24.44 H new ATOM 0 HB ILE A 417 25.902 8.221 -7.753 1.00 53.14 H new ATOM 0 HG12 ILE A 417 25.993 8.131 -5.303 1.00 22.44 H new ATOM 0 HG13 ILE A 417 27.570 8.191 -6.065 1.00 22.44 H new ATOM 0 HG21 ILE A 417 27.894 9.664 -8.075 1.00 44.51 H new ATOM 0 HG22 ILE A 417 26.480 10.191 -9.018 1.00 44.51 H new ATOM 0 HG23 ILE A 417 26.931 11.058 -7.531 1.00 44.51 H new ATOM 0 HD11 ILE A 417 27.523 9.552 -4.039 1.00 64.14 H new ATOM 0 HD12 ILE A 417 27.782 10.578 -5.470 1.00 64.14 H new ATOM 0 HD13 ILE A 417 26.180 10.517 -4.696 1.00 64.14 H new ATOM 953 N VAL A 418 23.703 10.917 -5.177 1.00 24.22 N ATOM 954 CA VAL A 418 23.448 12.090 -4.386 1.00 12.24 C ATOM 955 C VAL A 418 24.356 12.111 -3.174 1.00 40.21 C ATOM 956 O VAL A 418 24.313 11.214 -2.331 1.00 14.04 O ATOM 957 CB VAL A 418 21.965 12.177 -3.946 1.00 70.43 C ATOM 958 CG1 VAL A 418 21.704 13.438 -3.142 1.00 43.30 C ATOM 959 CG2 VAL A 418 21.039 12.131 -5.142 1.00 31.22 C ATOM 0 H VAL A 418 23.286 10.059 -4.816 1.00 24.22 H new ATOM 0 HA VAL A 418 23.658 12.960 -5.009 1.00 12.24 H new ATOM 0 HB VAL A 418 21.764 11.313 -3.313 1.00 70.43 H new ATOM 0 HG11 VAL A 418 20.655 13.471 -2.847 1.00 43.30 H new ATOM 0 HG12 VAL A 418 22.331 13.438 -2.251 1.00 43.30 H new ATOM 0 HG13 VAL A 418 21.938 14.312 -3.750 1.00 43.30 H new ATOM 0 HG21 VAL A 418 20.005 12.194 -4.804 1.00 31.22 H new ATOM 0 HG22 VAL A 418 21.256 12.970 -5.803 1.00 31.22 H new ATOM 0 HG23 VAL A 418 21.188 11.196 -5.682 1.00 31.22 H new ATOM 969 N THR A 419 25.186 13.111 -3.111 1.00 51.52 N ATOM 970 CA THR A 419 26.080 13.288 -2.019 1.00 70.11 C ATOM 971 C THR A 419 25.456 14.302 -1.071 1.00 35.32 C ATOM 972 O THR A 419 25.264 15.474 -1.437 1.00 73.33 O ATOM 973 CB THR A 419 27.425 13.829 -2.532 1.00 24.30 C ATOM 974 OG1 THR A 419 27.883 12.986 -3.615 1.00 53.24 O ATOM 975 CG2 THR A 419 28.459 13.811 -1.417 1.00 60.11 C ATOM 0 H THR A 419 25.257 13.832 -3.829 1.00 51.52 H new ATOM 0 HA THR A 419 26.254 12.339 -1.511 1.00 70.11 H new ATOM 0 HB THR A 419 27.293 14.855 -2.877 1.00 24.30 H new ATOM 0 HG1 THR A 419 28.740 13.322 -3.952 1.00 53.24 H new ATOM 0 HG21 THR A 419 29.407 14.196 -1.793 1.00 60.11 H new ATOM 0 HG22 THR A 419 28.115 14.435 -0.592 1.00 60.11 H new ATOM 0 HG23 THR A 419 28.597 12.789 -1.065 1.00 60.11 H new ATOM 983 N VAL A 420 25.117 13.864 0.117 1.00 20.15 N ATOM 984 CA VAL A 420 24.469 14.726 1.066 1.00 4.25 C ATOM 985 C VAL A 420 25.376 14.950 2.272 1.00 71.11 C ATOM 986 O VAL A 420 25.888 14.000 2.866 1.00 65.34 O ATOM 987 CB VAL A 420 23.108 14.131 1.532 1.00 12.12 C ATOM 988 CG1 VAL A 420 22.347 15.108 2.406 1.00 31.23 C ATOM 989 CG2 VAL A 420 22.258 13.721 0.349 1.00 24.22 C ATOM 0 H VAL A 420 25.281 12.913 0.447 1.00 20.15 H new ATOM 0 HA VAL A 420 24.273 15.680 0.576 1.00 4.25 H new ATOM 0 HB VAL A 420 23.331 13.243 2.124 1.00 12.12 H new ATOM 0 HG11 VAL A 420 21.402 14.661 2.714 1.00 31.23 H new ATOM 0 HG12 VAL A 420 22.941 15.345 3.289 1.00 31.23 H new ATOM 0 HG13 VAL A 420 22.151 16.022 1.845 1.00 31.23 H new ATOM 0 HG21 VAL A 420 21.314 13.309 0.705 1.00 24.22 H new ATOM 0 HG22 VAL A 420 22.061 14.592 -0.277 1.00 24.22 H new ATOM 0 HG23 VAL A 420 22.786 12.967 -0.234 1.00 24.22 H new ATOM 999 N GLU A 421 25.592 16.196 2.609 1.00 22.30 N ATOM 1000 CA GLU A 421 26.414 16.551 3.767 1.00 13.20 C ATOM 1001 C GLU A 421 25.536 17.078 4.894 1.00 3.11 C ATOM 1002 O GLU A 421 26.036 17.524 5.931 1.00 20.21 O ATOM 1003 CB GLU A 421 27.439 17.614 3.377 1.00 34.22 C ATOM 1004 CG GLU A 421 26.819 18.877 2.799 1.00 11.13 C ATOM 1005 CD GLU A 421 27.838 19.931 2.502 1.00 62.52 C ATOM 1006 OE1 GLU A 421 28.610 19.765 1.546 1.00 0.42 O ATOM 1007 OE2 GLU A 421 27.887 20.941 3.218 1.00 5.43 O ATOM 0 H GLU A 421 25.213 16.996 2.102 1.00 22.30 H new ATOM 0 HA GLU A 421 26.936 15.657 4.109 1.00 13.20 H new ATOM 0 HB2 GLU A 421 28.028 17.878 4.255 1.00 34.22 H new ATOM 0 HB3 GLU A 421 28.128 17.191 2.646 1.00 34.22 H new ATOM 0 HG2 GLU A 421 26.281 18.628 1.884 1.00 11.13 H new ATOM 0 HG3 GLU A 421 26.086 19.273 3.502 1.00 11.13 H new ATOM 1014 N CYS A 422 24.220 17.010 4.663 1.00 1.35 N ATOM 1015 CA CYS A 422 23.197 17.534 5.575 1.00 14.40 C ATOM 1016 C CYS A 422 23.221 19.078 5.568 1.00 53.11 C ATOM 1017 O CYS A 422 24.224 19.698 5.190 1.00 32.25 O ATOM 1018 CB CYS A 422 23.330 16.947 7.004 1.00 72.14 C ATOM 1019 SG CYS A 422 22.006 17.462 8.147 1.00 31.31 S ATOM 0 H CYS A 422 23.830 16.582 3.823 1.00 1.35 H new ATOM 0 HA CYS A 422 22.221 17.211 5.214 1.00 14.40 H new ATOM 0 HB2 CYS A 422 23.336 15.859 6.939 1.00 72.14 H new ATOM 0 HB3 CYS A 422 24.292 17.247 7.420 1.00 72.14 H new ATOM 0 HG CYS A 422 20.866 17.454 7.522 1.00 31.31 H new ATOM 1024 N GLY A 423 22.131 19.693 5.940 1.00 32.12 N ATOM 1025 CA GLY A 423 22.052 21.134 5.886 1.00 1.22 C ATOM 1026 C GLY A 423 20.917 21.665 6.706 1.00 0.00 C ATOM 1027 O GLY A 423 20.436 20.986 7.598 1.00 45.44 O ATOM 0 H GLY A 423 21.290 19.227 6.281 1.00 32.12 H new ATOM 0 HA2 GLY A 423 22.989 21.562 6.243 1.00 1.22 H new ATOM 0 HA3 GLY A 423 21.931 21.452 4.850 1.00 1.22 H new ATOM 1031 N VAL A 424 20.476 22.864 6.390 1.00 53.53 N ATOM 1032 CA VAL A 424 19.399 23.514 7.136 1.00 53.43 C ATOM 1033 C VAL A 424 18.071 23.296 6.418 1.00 31.10 C ATOM 1034 O VAL A 424 17.012 23.166 7.040 1.00 11.11 O ATOM 1035 CB VAL A 424 19.664 25.040 7.279 1.00 15.04 C ATOM 1036 CG1 VAL A 424 18.579 25.723 8.107 1.00 42.44 C ATOM 1037 CG2 VAL A 424 21.031 25.284 7.888 1.00 11.55 C ATOM 0 H VAL A 424 20.844 23.418 5.617 1.00 53.53 H new ATOM 0 HA VAL A 424 19.359 23.073 8.132 1.00 53.43 H new ATOM 0 HB VAL A 424 19.640 25.477 6.281 1.00 15.04 H new ATOM 0 HG11 VAL A 424 18.798 26.788 8.186 1.00 42.44 H new ATOM 0 HG12 VAL A 424 17.612 25.586 7.624 1.00 42.44 H new ATOM 0 HG13 VAL A 424 18.552 25.284 9.104 1.00 42.44 H new ATOM 0 HG21 VAL A 424 21.201 26.357 7.981 1.00 11.55 H new ATOM 0 HG22 VAL A 424 21.078 24.822 8.874 1.00 11.55 H new ATOM 0 HG23 VAL A 424 21.798 24.849 7.247 1.00 11.55 H new ATOM 1047 N GLU A 425 18.144 23.226 5.120 1.00 31.45 N ATOM 1048 CA GLU A 425 17.000 23.027 4.283 1.00 62.51 C ATOM 1049 C GLU A 425 17.400 22.048 3.210 1.00 71.11 C ATOM 1050 O GLU A 425 18.592 21.861 2.971 1.00 33.35 O ATOM 1051 CB GLU A 425 16.592 24.372 3.661 1.00 61.03 C ATOM 1052 CG GLU A 425 15.346 24.348 2.793 1.00 64.40 C ATOM 1053 CD GLU A 425 14.128 23.982 3.582 1.00 63.13 C ATOM 1054 OE1 GLU A 425 13.467 24.889 4.123 1.00 43.45 O ATOM 1055 OE2 GLU A 425 13.816 22.786 3.689 1.00 22.54 O ATOM 0 H GLU A 425 19.020 23.308 4.605 1.00 31.45 H new ATOM 0 HA GLU A 425 16.152 22.640 4.848 1.00 62.51 H new ATOM 0 HB2 GLU A 425 16.438 25.091 4.466 1.00 61.03 H new ATOM 0 HB3 GLU A 425 17.424 24.740 3.060 1.00 61.03 H new ATOM 0 HG2 GLU A 425 15.202 25.327 2.335 1.00 64.40 H new ATOM 0 HG3 GLU A 425 15.482 23.633 1.981 1.00 64.40 H new ATOM 1062 N ASN A 426 16.448 21.409 2.592 1.00 0.43 N ATOM 1063 CA ASN A 426 16.765 20.480 1.535 1.00 74.23 C ATOM 1064 C ASN A 426 16.936 21.257 0.250 1.00 72.23 C ATOM 1065 O ASN A 426 16.009 21.920 -0.224 1.00 63.44 O ATOM 1066 CB ASN A 426 15.703 19.353 1.404 1.00 64.43 C ATOM 1067 CG ASN A 426 14.331 19.820 0.956 1.00 54.20 C ATOM 1068 OD1 ASN A 426 14.007 19.810 -0.226 1.00 63.24 O ATOM 1069 ND2 ASN A 426 13.538 20.270 1.869 1.00 52.04 N ATOM 0 H ASN A 426 15.454 21.510 2.796 1.00 0.43 H new ATOM 0 HA ASN A 426 17.698 19.969 1.773 1.00 74.23 H new ATOM 0 HB2 ASN A 426 16.068 18.610 0.695 1.00 64.43 H new ATOM 0 HB3 ASN A 426 15.604 18.853 2.367 1.00 64.43 H new ATOM 0 HD21 ASN A 426 12.618 20.628 1.614 1.00 52.04 H new ATOM 0 HD22 ASN A 426 13.831 20.267 2.846 1.00 52.04 H new ATOM 1076 N GLU A 427 18.120 21.239 -0.279 1.00 44.12 N ATOM 1077 CA GLU A 427 18.397 21.972 -1.470 1.00 21.40 C ATOM 1078 C GLU A 427 19.406 21.250 -2.316 1.00 73.55 C ATOM 1079 O GLU A 427 20.308 20.570 -1.798 1.00 72.23 O ATOM 1080 CB GLU A 427 18.893 23.397 -1.149 1.00 35.21 C ATOM 1081 CG GLU A 427 20.176 23.451 -0.327 1.00 21.13 C ATOM 1082 CD GLU A 427 20.653 24.860 -0.081 1.00 44.25 C ATOM 1083 OE1 GLU A 427 21.297 25.446 -0.980 1.00 45.51 O ATOM 1084 OE2 GLU A 427 20.392 25.411 1.012 1.00 55.23 O ATOM 0 H GLU A 427 18.913 20.721 0.100 1.00 44.12 H new ATOM 0 HA GLU A 427 17.465 22.055 -2.030 1.00 21.40 H new ATOM 0 HB2 GLU A 427 19.054 23.931 -2.085 1.00 35.21 H new ATOM 0 HB3 GLU A 427 18.109 23.928 -0.610 1.00 35.21 H new ATOM 0 HG2 GLU A 427 20.010 22.956 0.630 1.00 21.13 H new ATOM 0 HG3 GLU A 427 20.957 22.893 -0.843 1.00 21.13 H new ATOM 1091 N ILE A 428 19.223 21.353 -3.599 1.00 61.01 N ATOM 1092 CA ILE A 428 20.152 20.829 -4.548 1.00 32.42 C ATOM 1093 C ILE A 428 21.094 21.956 -4.881 1.00 63.42 C ATOM 1094 O ILE A 428 20.649 23.072 -5.155 1.00 22.41 O ATOM 1095 CB ILE A 428 19.427 20.366 -5.834 1.00 52.43 C ATOM 1096 CG1 ILE A 428 18.268 19.412 -5.487 1.00 63.14 C ATOM 1097 CG2 ILE A 428 20.409 19.709 -6.802 1.00 14.32 C ATOM 1098 CD1 ILE A 428 17.479 18.916 -6.683 1.00 21.33 C ATOM 0 H ILE A 428 18.413 21.810 -4.018 1.00 61.01 H new ATOM 0 HA ILE A 428 20.675 19.965 -4.138 1.00 32.42 H new ATOM 0 HB ILE A 428 19.007 21.242 -6.328 1.00 52.43 H new ATOM 0 HG12 ILE A 428 18.671 18.552 -4.952 1.00 63.14 H new ATOM 0 HG13 ILE A 428 17.587 19.922 -4.805 1.00 63.14 H new ATOM 0 HG21 ILE A 428 19.878 19.391 -7.699 1.00 14.32 H new ATOM 0 HG22 ILE A 428 21.185 20.424 -7.074 1.00 14.32 H new ATOM 0 HG23 ILE A 428 20.866 18.842 -6.324 1.00 14.32 H new ATOM 0 HD11 ILE A 428 16.684 18.251 -6.344 1.00 21.33 H new ATOM 0 HD12 ILE A 428 17.042 19.765 -7.208 1.00 21.33 H new ATOM 0 HD13 ILE A 428 18.142 18.374 -7.357 1.00 21.33 H new ATOM 1110 N VAL A 429 22.359 21.699 -4.816 1.00 42.42 N ATOM 1111 CA VAL A 429 23.330 22.724 -5.077 1.00 53.53 C ATOM 1112 C VAL A 429 23.795 22.633 -6.521 1.00 51.55 C ATOM 1113 O VAL A 429 23.421 23.458 -7.357 1.00 34.53 O ATOM 1114 CB VAL A 429 24.543 22.619 -4.117 1.00 2.12 C ATOM 1115 CG1 VAL A 429 25.505 23.782 -4.316 1.00 3.32 C ATOM 1116 CG2 VAL A 429 24.082 22.530 -2.662 1.00 25.12 C ATOM 0 H VAL A 429 22.751 20.786 -4.584 1.00 42.42 H new ATOM 0 HA VAL A 429 22.857 23.691 -4.906 1.00 53.53 H new ATOM 0 HB VAL A 429 25.079 21.701 -4.357 1.00 2.12 H new ATOM 0 HG11 VAL A 429 26.345 23.681 -3.629 1.00 3.32 H new ATOM 0 HG12 VAL A 429 25.873 23.779 -5.342 1.00 3.32 H new ATOM 0 HG13 VAL A 429 24.987 24.721 -4.120 1.00 3.32 H new ATOM 0 HG21 VAL A 429 24.951 22.457 -2.009 1.00 25.12 H new ATOM 0 HG22 VAL A 429 23.510 23.422 -2.406 1.00 25.12 H new ATOM 0 HG23 VAL A 429 23.456 21.647 -2.532 1.00 25.12 H new ATOM 1126 N SER A 430 24.550 21.599 -6.815 1.00 33.13 N ATOM 1127 CA SER A 430 25.102 21.408 -8.129 1.00 72.03 C ATOM 1128 C SER A 430 24.938 19.955 -8.545 1.00 40.42 C ATOM 1129 O SER A 430 24.776 19.073 -7.694 1.00 52.11 O ATOM 1130 CB SER A 430 26.595 21.767 -8.115 1.00 34.03 C ATOM 1131 OG SER A 430 26.808 23.091 -7.651 1.00 15.52 O ATOM 0 H SER A 430 24.796 20.869 -6.147 1.00 33.13 H new ATOM 0 HA SER A 430 24.578 22.050 -8.837 1.00 72.03 H new ATOM 0 HB2 SER A 430 27.133 21.066 -7.477 1.00 34.03 H new ATOM 0 HB3 SER A 430 27.005 21.662 -9.120 1.00 34.03 H new ATOM 0 HG SER A 430 27.768 23.288 -7.653 1.00 15.52 H new ATOM 1137 N VAL A 431 24.949 19.716 -9.836 1.00 64.21 N ATOM 1138 CA VAL A 431 24.887 18.375 -10.385 1.00 50.43 C ATOM 1139 C VAL A 431 25.876 18.301 -11.529 1.00 40.32 C ATOM 1140 O VAL A 431 25.845 19.145 -12.433 1.00 61.45 O ATOM 1141 CB VAL A 431 23.480 17.993 -10.922 1.00 63.44 C ATOM 1142 CG1 VAL A 431 23.488 16.554 -11.415 1.00 30.44 C ATOM 1143 CG2 VAL A 431 22.401 18.183 -9.865 1.00 11.43 C ATOM 0 H VAL A 431 25.002 20.450 -10.542 1.00 64.21 H new ATOM 0 HA VAL A 431 25.120 17.675 -9.582 1.00 50.43 H new ATOM 0 HB VAL A 431 23.246 18.660 -11.752 1.00 63.44 H new ATOM 0 HG11 VAL A 431 22.499 16.292 -11.790 1.00 30.44 H new ATOM 0 HG12 VAL A 431 24.220 16.448 -12.216 1.00 30.44 H new ATOM 0 HG13 VAL A 431 23.752 15.889 -10.593 1.00 30.44 H new ATOM 0 HG21 VAL A 431 21.432 17.905 -10.280 1.00 11.43 H new ATOM 0 HG22 VAL A 431 22.621 17.553 -9.003 1.00 11.43 H new ATOM 0 HG23 VAL A 431 22.376 19.227 -9.554 1.00 11.43 H new ATOM 1153 N LEU A 432 26.748 17.327 -11.498 1.00 34.04 N ATOM 1154 CA LEU A 432 27.768 17.211 -12.510 1.00 35.05 C ATOM 1155 C LEU A 432 27.911 15.770 -12.976 1.00 61.22 C ATOM 1156 O LEU A 432 28.102 14.867 -12.166 1.00 63.34 O ATOM 1157 CB LEU A 432 29.102 17.710 -11.941 1.00 51.41 C ATOM 1158 CG LEU A 432 30.298 17.716 -12.891 1.00 52.43 C ATOM 1159 CD1 LEU A 432 30.061 18.664 -14.055 1.00 65.04 C ATOM 1160 CD2 LEU A 432 31.564 18.090 -12.143 1.00 30.34 C ATOM 0 H LEU A 432 26.773 16.601 -10.782 1.00 34.04 H new ATOM 0 HA LEU A 432 27.481 17.818 -13.369 1.00 35.05 H new ATOM 0 HB2 LEU A 432 28.956 18.726 -11.573 1.00 51.41 H new ATOM 0 HB3 LEU A 432 29.356 17.092 -11.079 1.00 51.41 H new ATOM 0 HG LEU A 432 30.419 16.711 -13.296 1.00 52.43 H new ATOM 0 HD11 LEU A 432 30.927 18.651 -14.717 1.00 65.04 H new ATOM 0 HD12 LEU A 432 29.176 18.348 -14.608 1.00 65.04 H new ATOM 0 HD13 LEU A 432 29.910 19.675 -13.676 1.00 65.04 H new ATOM 0 HD21 LEU A 432 32.408 18.090 -12.833 1.00 30.34 H new ATOM 0 HD22 LEU A 432 31.450 19.083 -11.709 1.00 30.34 H new ATOM 0 HD23 LEU A 432 31.745 17.366 -11.349 1.00 30.34 H new ATOM 1172 N GLU A 433 27.804 15.548 -14.259 1.00 34.13 N ATOM 1173 CA GLU A 433 28.029 14.227 -14.808 1.00 24.43 C ATOM 1174 C GLU A 433 29.525 14.028 -14.997 1.00 53.23 C ATOM 1175 O GLU A 433 30.088 14.387 -16.027 1.00 65.34 O ATOM 1176 CB GLU A 433 27.284 14.040 -16.135 1.00 31.13 C ATOM 1177 CG GLU A 433 27.517 12.691 -16.807 1.00 51.13 C ATOM 1178 CD GLU A 433 26.857 12.597 -18.156 1.00 2.10 C ATOM 1179 OE1 GLU A 433 27.370 13.211 -19.122 1.00 60.44 O ATOM 1180 OE2 GLU A 433 25.833 11.935 -18.286 1.00 22.41 O ATOM 0 H GLU A 433 27.563 16.261 -14.948 1.00 34.13 H new ATOM 0 HA GLU A 433 27.641 13.480 -14.116 1.00 24.43 H new ATOM 0 HB2 GLU A 433 26.216 14.164 -15.958 1.00 31.13 H new ATOM 0 HB3 GLU A 433 27.587 14.831 -16.822 1.00 31.13 H new ATOM 0 HG2 GLU A 433 28.588 12.524 -16.918 1.00 51.13 H new ATOM 0 HG3 GLU A 433 27.136 11.898 -16.164 1.00 51.13 H new ATOM 1187 N ALA A 434 30.173 13.528 -13.981 1.00 34.32 N ATOM 1188 CA ALA A 434 31.612 13.343 -14.028 1.00 64.24 C ATOM 1189 C ALA A 434 31.970 11.914 -14.370 1.00 31.24 C ATOM 1190 O ALA A 434 33.030 11.642 -14.936 1.00 32.52 O ATOM 1191 CB ALA A 434 32.239 13.747 -12.710 1.00 54.33 C ATOM 0 H ALA A 434 29.735 13.239 -13.107 1.00 34.32 H new ATOM 0 HA ALA A 434 32.008 13.984 -14.815 1.00 64.24 H new ATOM 0 HB1 ALA A 434 33.318 13.603 -12.761 1.00 54.33 H new ATOM 0 HB2 ALA A 434 32.022 14.796 -12.511 1.00 54.33 H new ATOM 0 HB3 ALA A 434 31.828 13.133 -11.908 1.00 54.33 H new ATOM 1197 N GLN A 435 31.086 11.010 -14.055 1.00 4.42 N ATOM 1198 CA GLN A 435 31.321 9.600 -14.286 1.00 42.42 C ATOM 1199 C GLN A 435 30.419 9.100 -15.385 1.00 32.13 C ATOM 1200 O GLN A 435 29.619 9.873 -15.889 1.00 31.20 O ATOM 1201 CB GLN A 435 31.157 8.826 -12.982 1.00 24.51 C ATOM 1202 CG GLN A 435 32.173 9.253 -11.943 1.00 61.42 C ATOM 1203 CD GLN A 435 31.990 8.588 -10.605 1.00 1.11 C ATOM 1204 OE1 GLN A 435 32.542 7.517 -10.340 1.00 74.35 O ATOM 1205 NE2 GLN A 435 31.238 9.212 -9.749 1.00 22.43 N ATOM 0 H GLN A 435 30.182 11.222 -13.632 1.00 4.42 H new ATOM 0 HA GLN A 435 32.346 9.441 -14.623 1.00 42.42 H new ATOM 0 HB2 GLN A 435 30.151 8.980 -12.592 1.00 24.51 H new ATOM 0 HB3 GLN A 435 31.263 7.759 -13.177 1.00 24.51 H new ATOM 0 HG2 GLN A 435 33.174 9.032 -12.314 1.00 61.42 H new ATOM 0 HG3 GLN A 435 32.113 10.334 -11.812 1.00 61.42 H new ATOM 0 HE21 GLN A 435 30.799 10.096 -10.006 1.00 22.43 H new ATOM 0 HE22 GLN A 435 31.087 8.818 -8.820 1.00 22.43 H new ATOM 1214 N LYS A 436 30.560 7.815 -15.741 1.00 42.55 N ATOM 1215 CA LYS A 436 29.846 7.154 -16.872 1.00 13.22 C ATOM 1216 C LYS A 436 28.319 7.441 -17.000 1.00 4.31 C ATOM 1217 O LYS A 436 27.479 6.636 -16.630 1.00 71.20 O ATOM 1218 CB LYS A 436 30.207 5.634 -16.969 1.00 34.23 C ATOM 1219 CG LYS A 436 30.136 4.790 -15.645 1.00 71.43 C ATOM 1220 CD LYS A 436 28.739 4.734 -15.037 1.00 75.22 C ATOM 1221 CE LYS A 436 28.627 3.782 -13.858 1.00 15.52 C ATOM 1222 NZ LYS A 436 29.416 4.190 -12.688 1.00 40.51 N ATOM 0 H LYS A 436 31.186 7.180 -15.246 1.00 42.55 H new ATOM 0 HA LYS A 436 30.237 7.651 -17.760 1.00 13.22 H new ATOM 0 HB2 LYS A 436 29.539 5.175 -17.698 1.00 34.23 H new ATOM 0 HB3 LYS A 436 31.218 5.552 -17.367 1.00 34.23 H new ATOM 0 HG2 LYS A 436 30.475 3.775 -15.851 1.00 71.43 H new ATOM 0 HG3 LYS A 436 30.825 5.214 -14.915 1.00 71.43 H new ATOM 0 HD2 LYS A 436 28.452 5.735 -14.714 1.00 75.22 H new ATOM 0 HD3 LYS A 436 28.029 4.431 -15.806 1.00 75.22 H new ATOM 0 HE2 LYS A 436 27.580 3.700 -13.567 1.00 15.52 H new ATOM 0 HE3 LYS A 436 28.949 2.789 -14.173 1.00 15.52 H new ATOM 0 HZ1 LYS A 436 29.345 3.461 -11.950 1.00 40.51 H new ATOM 0 HZ2 LYS A 436 30.412 4.307 -12.964 1.00 40.51 H new ATOM 0 HZ3 LYS A 436 29.051 5.092 -12.320 1.00 40.51 H new ATOM 1236 N CYS A 437 27.987 8.622 -17.526 1.00 72.00 N ATOM 1237 CA CYS A 437 26.603 9.088 -17.623 1.00 3.11 C ATOM 1238 C CYS A 437 25.989 9.119 -16.224 1.00 50.32 C ATOM 1239 O CYS A 437 24.769 8.996 -16.041 1.00 11.21 O ATOM 1240 CB CYS A 437 25.805 8.190 -18.568 1.00 24.20 C ATOM 1241 SG CYS A 437 26.481 8.137 -20.269 1.00 51.21 S ATOM 0 H CYS A 437 28.671 9.282 -17.897 1.00 72.00 H new ATOM 0 HA CYS A 437 26.578 10.096 -18.037 1.00 3.11 H new ATOM 0 HB2 CYS A 437 25.782 7.178 -18.163 1.00 24.20 H new ATOM 0 HB3 CYS A 437 24.774 8.541 -18.606 1.00 24.20 H new ATOM 1246 N GLU A 438 26.856 9.316 -15.245 1.00 34.43 N ATOM 1247 CA GLU A 438 26.488 9.313 -13.880 1.00 65.14 C ATOM 1248 C GLU A 438 26.570 10.719 -13.328 1.00 41.32 C ATOM 1249 O GLU A 438 27.634 11.370 -13.364 1.00 35.45 O ATOM 1250 CB GLU A 438 27.398 8.372 -13.138 1.00 4.01 C ATOM 1251 CG GLU A 438 27.091 8.207 -11.681 1.00 25.44 C ATOM 1252 CD GLU A 438 27.984 7.171 -11.059 1.00 61.03 C ATOM 1253 OE1 GLU A 438 27.882 5.990 -11.430 1.00 15.34 O ATOM 1254 OE2 GLU A 438 28.827 7.516 -10.238 1.00 45.24 O ATOM 0 H GLU A 438 27.850 9.484 -15.403 1.00 34.43 H new ATOM 0 HA GLU A 438 25.460 8.971 -13.760 1.00 65.14 H new ATOM 0 HB2 GLU A 438 27.351 7.394 -13.616 1.00 4.01 H new ATOM 0 HB3 GLU A 438 28.423 8.728 -13.239 1.00 4.01 H new ATOM 0 HG2 GLU A 438 27.220 9.160 -11.168 1.00 25.44 H new ATOM 0 HG3 GLU A 438 26.048 7.916 -11.556 1.00 25.44 H new ATOM 1261 N TYR A 439 25.466 11.170 -12.824 1.00 23.40 N ATOM 1262 CA TYR A 439 25.309 12.511 -12.348 1.00 44.25 C ATOM 1263 C TYR A 439 25.542 12.612 -10.859 1.00 45.20 C ATOM 1264 O TYR A 439 24.843 11.988 -10.059 1.00 44.01 O ATOM 1265 CB TYR A 439 23.910 13.031 -12.717 1.00 5.32 C ATOM 1266 CG TYR A 439 23.699 13.200 -14.204 1.00 14.34 C ATOM 1267 CD1 TYR A 439 23.542 12.099 -15.038 1.00 54.42 C ATOM 1268 CD2 TYR A 439 23.660 14.464 -14.772 1.00 4.22 C ATOM 1269 CE1 TYR A 439 23.358 12.260 -16.400 1.00 21.33 C ATOM 1270 CE2 TYR A 439 23.474 14.635 -16.128 1.00 51.24 C ATOM 1271 CZ TYR A 439 23.326 13.535 -16.940 1.00 3.25 C ATOM 1272 OH TYR A 439 23.145 13.708 -18.298 1.00 43.34 O ATOM 0 H TYR A 439 24.624 10.602 -12.729 1.00 23.40 H new ATOM 0 HA TYR A 439 26.064 13.132 -12.831 1.00 44.25 H new ATOM 0 HB2 TYR A 439 23.161 12.341 -12.329 1.00 5.32 H new ATOM 0 HB3 TYR A 439 23.746 13.989 -12.224 1.00 5.32 H new ATOM 0 HD1 TYR A 439 23.564 11.105 -14.617 1.00 54.42 H new ATOM 0 HD2 TYR A 439 23.778 15.332 -14.140 1.00 4.22 H new ATOM 0 HE1 TYR A 439 23.240 11.397 -17.038 1.00 21.33 H new ATOM 0 HE2 TYR A 439 23.445 15.629 -16.550 1.00 51.24 H new ATOM 0 HH TYR A 439 23.147 14.665 -18.509 1.00 43.34 H new ATOM 1282 N LEU A 440 26.536 13.387 -10.500 1.00 1.25 N ATOM 1283 CA LEU A 440 26.860 13.653 -9.113 1.00 41.00 C ATOM 1284 C LEU A 440 25.927 14.737 -8.641 1.00 10.45 C ATOM 1285 O LEU A 440 25.981 15.853 -9.152 1.00 64.52 O ATOM 1286 CB LEU A 440 28.286 14.212 -8.985 1.00 41.41 C ATOM 1287 CG LEU A 440 29.433 13.387 -9.549 1.00 40.34 C ATOM 1288 CD1 LEU A 440 30.729 14.158 -9.411 1.00 1.30 C ATOM 1289 CD2 LEU A 440 29.548 12.061 -8.841 1.00 51.33 C ATOM 0 H LEU A 440 27.150 13.857 -11.165 1.00 1.25 H new ATOM 0 HA LEU A 440 26.773 12.731 -8.538 1.00 41.00 H new ATOM 0 HB2 LEU A 440 28.307 15.187 -9.471 1.00 41.41 H new ATOM 0 HB3 LEU A 440 28.485 14.379 -7.926 1.00 41.41 H new ATOM 0 HG LEU A 440 29.232 13.193 -10.602 1.00 40.34 H new ATOM 0 HD11 LEU A 440 31.550 13.566 -9.815 1.00 1.30 H new ATOM 0 HD12 LEU A 440 30.654 15.097 -9.960 1.00 1.30 H new ATOM 0 HD13 LEU A 440 30.917 14.367 -8.358 1.00 1.30 H new ATOM 0 HD21 LEU A 440 30.376 11.493 -9.265 1.00 51.33 H new ATOM 0 HD22 LEU A 440 29.730 12.230 -7.780 1.00 51.33 H new ATOM 0 HD23 LEU A 440 28.622 11.500 -8.966 1.00 51.33 H new ATOM 1301 N ILE A 441 25.085 14.431 -7.721 1.00 51.40 N ATOM 1302 CA ILE A 441 24.153 15.391 -7.213 1.00 33.42 C ATOM 1303 C ILE A 441 24.636 15.847 -5.858 1.00 1.52 C ATOM 1304 O ILE A 441 24.960 15.025 -4.998 1.00 62.21 O ATOM 1305 CB ILE A 441 22.745 14.779 -7.077 1.00 22.21 C ATOM 1306 CG1 ILE A 441 22.367 14.085 -8.386 1.00 23.33 C ATOM 1307 CG2 ILE A 441 21.717 15.855 -6.707 1.00 70.33 C ATOM 1308 CD1 ILE A 441 20.983 13.511 -8.425 1.00 34.12 C ATOM 0 H ILE A 441 25.017 13.508 -7.293 1.00 51.40 H new ATOM 0 HA ILE A 441 24.090 16.231 -7.905 1.00 33.42 H new ATOM 0 HB ILE A 441 22.750 14.042 -6.274 1.00 22.21 H new ATOM 0 HG12 ILE A 441 22.470 14.801 -9.201 1.00 23.33 H new ATOM 0 HG13 ILE A 441 23.081 13.283 -8.574 1.00 23.33 H new ATOM 0 HG21 ILE A 441 20.731 15.400 -6.616 1.00 70.33 H new ATOM 0 HG22 ILE A 441 21.994 16.312 -5.757 1.00 70.33 H new ATOM 0 HG23 ILE A 441 21.694 16.619 -7.484 1.00 70.33 H new ATOM 0 HD11 ILE A 441 20.811 13.041 -9.393 1.00 34.12 H new ATOM 0 HD12 ILE A 441 20.876 12.766 -7.636 1.00 34.12 H new ATOM 0 HD13 ILE A 441 20.254 14.307 -8.274 1.00 34.12 H new ATOM 1320 N LYS A 442 24.712 17.120 -5.672 1.00 10.41 N ATOM 1321 CA LYS A 442 25.180 17.666 -4.439 1.00 64.11 C ATOM 1322 C LYS A 442 23.960 18.240 -3.701 1.00 30.12 C ATOM 1323 O LYS A 442 23.292 19.151 -4.212 1.00 44.24 O ATOM 1324 CB LYS A 442 26.206 18.778 -4.766 1.00 33.12 C ATOM 1325 CG LYS A 442 27.171 19.182 -3.641 1.00 30.11 C ATOM 1326 CD LYS A 442 26.470 19.698 -2.408 1.00 3.34 C ATOM 1327 CE LYS A 442 27.459 20.146 -1.360 1.00 3.02 C ATOM 1328 NZ LYS A 442 28.399 19.071 -0.975 1.00 33.04 N ATOM 0 H LYS A 442 24.451 17.816 -6.371 1.00 10.41 H new ATOM 0 HA LYS A 442 25.664 16.918 -3.811 1.00 64.11 H new ATOM 0 HB2 LYS A 442 26.798 18.453 -5.621 1.00 33.12 H new ATOM 0 HB3 LYS A 442 25.657 19.666 -5.078 1.00 33.12 H new ATOM 0 HG2 LYS A 442 27.782 18.321 -3.369 1.00 30.11 H new ATOM 0 HG3 LYS A 442 27.850 19.950 -4.012 1.00 30.11 H new ATOM 0 HD2 LYS A 442 25.821 20.531 -2.678 1.00 3.34 H new ATOM 0 HD3 LYS A 442 25.831 18.917 -1.997 1.00 3.34 H new ATOM 0 HE2 LYS A 442 28.022 20.999 -1.737 1.00 3.02 H new ATOM 0 HE3 LYS A 442 26.919 20.486 -0.476 1.00 3.02 H new ATOM 0 HZ1 LYS A 442 28.781 19.267 -0.028 1.00 33.04 H new ATOM 0 HZ2 LYS A 442 27.898 18.159 -0.964 1.00 33.04 H new ATOM 0 HZ3 LYS A 442 29.179 19.030 -1.662 1.00 33.04 H new ATOM 1342 N MET A 443 23.663 17.709 -2.525 1.00 72.44 N ATOM 1343 CA MET A 443 22.534 18.165 -1.736 1.00 0.24 C ATOM 1344 C MET A 443 22.872 18.243 -0.291 1.00 2.44 C ATOM 1345 O MET A 443 23.961 17.835 0.155 1.00 11.14 O ATOM 1346 CB MET A 443 21.274 17.278 -1.861 1.00 41.12 C ATOM 1347 CG MET A 443 20.529 17.340 -3.167 1.00 75.41 C ATOM 1348 SD MET A 443 18.960 16.444 -3.099 1.00 12.41 S ATOM 1349 CE MET A 443 18.053 17.364 -1.821 1.00 74.04 C ATOM 0 H MET A 443 24.196 16.954 -2.094 1.00 72.44 H new ATOM 0 HA MET A 443 22.309 19.150 -2.146 1.00 0.24 H new ATOM 0 HB2 MET A 443 21.568 16.243 -1.686 1.00 41.12 H new ATOM 0 HB3 MET A 443 20.584 17.553 -1.063 1.00 41.12 H new ATOM 0 HG2 MET A 443 20.340 18.382 -3.427 1.00 75.41 H new ATOM 0 HG3 MET A 443 21.151 16.922 -3.959 1.00 75.41 H new ATOM 0 HE1 MET A 443 17.003 17.073 -1.839 1.00 74.04 H new ATOM 0 HE2 MET A 443 18.475 17.139 -0.842 1.00 74.04 H new ATOM 0 HE3 MET A 443 18.136 18.433 -2.015 1.00 74.04 H new ATOM 1359 N LYS A 444 21.938 18.761 0.432 1.00 73.10 N ATOM 1360 CA LYS A 444 21.979 18.866 1.837 1.00 3.31 C ATOM 1361 C LYS A 444 20.570 19.036 2.332 1.00 31.40 C ATOM 1362 O LYS A 444 19.745 19.625 1.640 1.00 72.02 O ATOM 1363 CB LYS A 444 22.903 20.001 2.279 1.00 32.51 C ATOM 1364 CG LYS A 444 22.614 21.353 1.698 1.00 71.23 C ATOM 1365 CD LYS A 444 23.757 22.258 2.032 1.00 61.23 C ATOM 1366 CE LYS A 444 23.501 23.684 1.590 1.00 23.41 C ATOM 1367 NZ LYS A 444 24.633 24.567 1.912 1.00 10.51 N ATOM 0 H LYS A 444 21.082 19.141 0.029 1.00 73.10 H new ATOM 0 HA LYS A 444 22.399 17.961 2.276 1.00 3.31 H new ATOM 0 HB2 LYS A 444 22.856 20.078 3.365 1.00 32.51 H new ATOM 0 HB3 LYS A 444 23.927 19.729 2.022 1.00 32.51 H new ATOM 0 HG2 LYS A 444 22.487 21.283 0.618 1.00 71.23 H new ATOM 0 HG3 LYS A 444 21.683 21.750 2.103 1.00 71.23 H new ATOM 0 HD2 LYS A 444 23.933 22.238 3.108 1.00 61.23 H new ATOM 0 HD3 LYS A 444 24.664 21.888 1.554 1.00 61.23 H new ATOM 0 HE2 LYS A 444 23.318 23.704 0.516 1.00 23.41 H new ATOM 0 HE3 LYS A 444 22.599 24.058 2.074 1.00 23.41 H new ATOM 0 HZ1 LYS A 444 24.420 25.534 1.594 1.00 10.51 H new ATOM 0 HZ2 LYS A 444 24.792 24.567 2.940 1.00 10.51 H new ATOM 0 HZ3 LYS A 444 25.488 24.225 1.430 1.00 10.51 H new ATOM 1381 N SER A 445 20.282 18.454 3.464 1.00 12.13 N ATOM 1382 CA SER A 445 18.976 18.507 4.070 1.00 72.31 C ATOM 1383 C SER A 445 19.123 18.207 5.557 1.00 31.21 C ATOM 1384 O SER A 445 19.975 17.407 5.926 1.00 12.32 O ATOM 1385 CB SER A 445 18.060 17.473 3.388 1.00 20.43 C ATOM 1386 OG SER A 445 18.661 16.185 3.375 1.00 55.21 O ATOM 0 H SER A 445 20.962 17.918 4.004 1.00 12.13 H new ATOM 0 HA SER A 445 18.530 19.494 3.947 1.00 72.31 H new ATOM 0 HB2 SER A 445 17.105 17.427 3.912 1.00 20.43 H new ATOM 0 HB3 SER A 445 17.848 17.789 2.367 1.00 20.43 H new ATOM 0 HG SER A 445 18.058 15.547 2.938 1.00 55.21 H new ATOM 1392 N PRO A 446 18.334 18.855 6.430 1.00 63.02 N ATOM 1393 CA PRO A 446 18.407 18.638 7.893 1.00 41.12 C ATOM 1394 C PRO A 446 17.959 17.233 8.287 1.00 14.32 C ATOM 1395 O PRO A 446 18.426 16.667 9.282 1.00 1.55 O ATOM 1396 CB PRO A 446 17.432 19.678 8.454 1.00 71.11 C ATOM 1397 CG PRO A 446 16.499 19.949 7.332 1.00 44.41 C ATOM 1398 CD PRO A 446 17.325 19.864 6.088 1.00 65.03 C ATOM 0 HA PRO A 446 19.425 18.737 8.271 1.00 41.12 H new ATOM 0 HB2 PRO A 446 16.903 19.297 9.328 1.00 71.11 H new ATOM 0 HB3 PRO A 446 17.952 20.583 8.766 1.00 71.11 H new ATOM 0 HG2 PRO A 446 15.688 19.222 7.313 1.00 44.41 H new ATOM 0 HG3 PRO A 446 16.042 20.934 7.432 1.00 44.41 H new ATOM 0 HD2 PRO A 446 16.728 19.562 5.227 1.00 65.03 H new ATOM 0 HD3 PRO A 446 17.781 20.823 5.840 1.00 65.03 H new