USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=20 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 180:sc= -1.14 USER MOD Set 1.2: A 384 GLN : amide:sc= -1.63 K(o=-2.8,f=-1.7) USER MOD Set 2.1: A 381 ASN : amide:sc= 0.661 K(o=-1.2,f=-2.3) USER MOD Set 2.2: A 391 ASN : amide:sc= -1.82! K(o=-1.2!,f=-2.3) USER MOD Set 3.1: A 365 THR OG1 : rot -66:sc= 1.05 USER MOD Set 3.2: A 426 ASN : amide:sc= 1.03 K(o=1.6,f=-1.8) USER MOD Set 3.3: A 443 MET CE :methyl 162:sc= -0.475 (180deg=-1.83) USER MOD Single : A 366 LYS NZ :NH3+ -165:sc= -0.0381 (180deg=-0.254) 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 180:sc= 0 USER MOD Single : A 386 SER OG : rot -24:sc= 0.193 USER MOD Single : A 394 SER OG : rot 180:sc= 0 USER MOD Single : A 395 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 398 ASN : amide:sc= -0.0752 K(o=-0.075,f=-1.1) USER MOD Single : A 401 LYS NZ :NH3+ 142:sc= 1.19 (180deg=1.09) USER MOD Single : A 402 TYR OH : rot 68:sc= -1.83! USER MOD Single : A 404 ASN : amide:sc= -2.44! K(o=-2.4!,f=-1) USER MOD Single : A 406 GLN : amide:sc= -1.65! X(o=-1.6!,f=-1.7) USER MOD Single : A 407 SER OG : rot 180:sc= 0 USER MOD Single : A 415 SER OG : rot 180:sc= -0.0251 USER MOD Single : A 419 THR OG1 : rot 180:sc= 0 USER MOD Single : A 422 CYS SG : rot 46:sc= -0.163 USER MOD Single : A 430 SER OG : rot 1:sc= 0.483 USER MOD Single : A 435 GLN : amide:sc= -1.57! K(o=-1.6!,f=0) USER MOD Single : A 436 LYS NZ :NH3+ 176:sc= 1 (180deg=0.916) USER MOD Single : A 439 TYR OH : rot -131:sc= 1.24 USER MOD Single : A 442 LYS NZ :NH3+ -169:sc= 1.15 (180deg=0.554) 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 13.126 17.492 -3.954 1.00 42.43 N ATOM 139 CA THR A 365 13.942 18.635 -4.163 1.00 11.12 C ATOM 140 C THR A 365 14.077 18.816 -5.661 1.00 64.15 C ATOM 141 O THR A 365 14.391 17.869 -6.364 1.00 41.34 O ATOM 142 CB THR A 365 15.327 18.441 -3.538 1.00 43.54 C ATOM 143 OG1 THR A 365 15.164 17.922 -2.211 1.00 0.03 O ATOM 144 CG2 THR A 365 16.022 19.781 -3.431 1.00 45.50 C ATOM 0 HA THR A 365 13.491 19.510 -3.696 1.00 11.12 H new ATOM 0 HB THR A 365 15.913 17.759 -4.155 1.00 43.54 H new ATOM 0 HG1 THR A 365 14.733 18.597 -1.646 1.00 0.03 H new ATOM 0 HG21 THR A 365 17.008 19.645 -2.986 1.00 45.50 H new ATOM 0 HG22 THR A 365 16.129 20.216 -4.425 1.00 45.50 H new ATOM 0 HG23 THR A 365 15.430 20.449 -2.805 1.00 45.50 H new ATOM 152 N LYS A 366 13.821 19.989 -6.151 1.00 42.41 N ATOM 153 CA LYS A 366 13.864 20.226 -7.560 1.00 32.34 C ATOM 154 C LYS A 366 14.612 21.485 -7.872 1.00 13.35 C ATOM 155 O LYS A 366 14.449 22.501 -7.192 1.00 73.42 O ATOM 156 CB LYS A 366 12.462 20.192 -8.174 1.00 13.43 C ATOM 157 CG LYS A 366 11.445 21.035 -7.458 1.00 70.41 C ATOM 158 CD LYS A 366 10.099 20.921 -8.125 1.00 54.51 C ATOM 159 CE LYS A 366 9.051 21.687 -7.362 1.00 24.53 C ATOM 160 NZ LYS A 366 8.794 21.116 -6.014 1.00 3.43 N ATOM 0 H LYS A 366 13.578 20.805 -5.589 1.00 42.41 H new ATOM 0 HA LYS A 366 14.419 19.413 -8.028 1.00 32.34 H new ATOM 0 HB2 LYS A 366 12.525 20.524 -9.210 1.00 13.43 H new ATOM 0 HB3 LYS A 366 12.112 19.160 -8.191 1.00 13.43 H new ATOM 0 HG2 LYS A 366 11.370 20.718 -6.418 1.00 70.41 H new ATOM 0 HG3 LYS A 366 11.767 22.076 -7.452 1.00 70.41 H new ATOM 0 HD2 LYS A 366 10.161 21.301 -9.145 1.00 54.51 H new ATOM 0 HD3 LYS A 366 9.810 19.872 -8.193 1.00 54.51 H new ATOM 0 HE2 LYS A 366 9.368 22.725 -7.259 1.00 24.53 H new ATOM 0 HE3 LYS A 366 8.123 21.693 -7.933 1.00 24.53 H new ATOM 0 HZ1 LYS A 366 7.908 21.507 -5.635 1.00 3.43 H new ATOM 0 HZ2 LYS A 366 8.714 20.081 -6.085 1.00 3.43 H new ATOM 0 HZ3 LYS A 366 9.580 21.360 -5.378 1.00 3.43 H new ATOM 174 N ARG A 367 15.450 21.421 -8.865 1.00 21.14 N ATOM 175 CA ARG A 367 16.289 22.532 -9.203 1.00 11.55 C ATOM 176 C ARG A 367 16.576 22.479 -10.696 1.00 13.33 C ATOM 177 O ARG A 367 16.637 21.400 -11.274 1.00 43.32 O ATOM 178 CB ARG A 367 17.601 22.387 -8.437 1.00 75.14 C ATOM 179 CG ARG A 367 18.405 23.650 -8.297 1.00 74.12 C ATOM 180 CD ARG A 367 17.700 24.587 -7.350 1.00 35.22 C ATOM 181 NE ARG A 367 18.419 25.848 -7.170 1.00 21.33 N ATOM 182 CZ ARG A 367 17.851 27.019 -6.860 1.00 72.55 C ATOM 183 NH1 ARG A 367 16.529 27.135 -6.818 1.00 11.13 N ATOM 184 NH2 ARG A 367 18.605 28.081 -6.618 1.00 65.54 N ATOM 0 H ARG A 367 15.571 20.602 -9.460 1.00 21.14 H new ATOM 0 HA ARG A 367 15.807 23.476 -8.949 1.00 11.55 H new ATOM 0 HB2 ARG A 367 17.381 22.003 -7.441 1.00 75.14 H new ATOM 0 HB3 ARG A 367 18.215 21.639 -8.938 1.00 75.14 H new ATOM 0 HG2 ARG A 367 19.403 23.420 -7.924 1.00 74.12 H new ATOM 0 HG3 ARG A 367 18.530 24.125 -9.270 1.00 74.12 H new ATOM 0 HD2 ARG A 367 16.699 24.794 -7.728 1.00 35.22 H new ATOM 0 HD3 ARG A 367 17.581 24.099 -6.383 1.00 35.22 H new ATOM 0 HE ARG A 367 19.432 25.833 -7.290 1.00 21.33 H new ATOM 0 HH11 ARG A 367 15.939 26.328 -7.023 1.00 11.13 H new ATOM 0 HH12 ARG A 367 16.103 28.031 -6.581 1.00 11.13 H new ATOM 0 HH21 ARG A 367 19.621 28.007 -6.668 1.00 65.54 H new ATOM 0 HH22 ARG A 367 18.169 28.973 -6.382 1.00 65.54 H new ATOM 198 N GLU A 368 16.748 23.611 -11.306 1.00 23.32 N ATOM 199 CA GLU A 368 17.047 23.668 -12.713 1.00 33.23 C ATOM 200 C GLU A 368 18.548 23.740 -12.920 1.00 1.43 C ATOM 201 O GLU A 368 19.196 24.714 -12.525 1.00 5.43 O ATOM 202 CB GLU A 368 16.277 24.855 -13.377 1.00 53.02 C ATOM 203 CG GLU A 368 16.490 25.091 -14.897 1.00 32.33 C ATOM 204 CD GLU A 368 17.794 25.803 -15.261 1.00 43.54 C ATOM 205 OE1 GLU A 368 17.830 27.055 -15.210 1.00 2.35 O ATOM 206 OE2 GLU A 368 18.788 25.144 -15.617 1.00 24.34 O ATOM 0 H GLU A 368 16.686 24.521 -10.849 1.00 23.32 H new ATOM 0 HA GLU A 368 16.704 22.758 -13.206 1.00 33.23 H new ATOM 0 HB2 GLU A 368 15.211 24.701 -13.207 1.00 53.02 H new ATOM 0 HB3 GLU A 368 16.554 25.770 -12.853 1.00 53.02 H new ATOM 0 HG2 GLU A 368 16.464 24.128 -15.407 1.00 32.33 H new ATOM 0 HG3 GLU A 368 15.654 25.677 -15.280 1.00 32.33 H new ATOM 213 N ILE A 369 19.104 22.676 -13.462 1.00 40.42 N ATOM 214 CA ILE A 369 20.499 22.656 -13.852 1.00 23.54 C ATOM 215 C ILE A 369 20.562 22.335 -15.344 1.00 31.42 C ATOM 216 O ILE A 369 19.898 21.406 -15.808 1.00 53.33 O ATOM 217 CB ILE A 369 21.397 21.610 -13.056 1.00 73.14 C ATOM 218 CG1 ILE A 369 21.452 21.867 -11.531 1.00 43.14 C ATOM 219 CG2 ILE A 369 22.810 21.542 -13.618 1.00 25.30 C ATOM 220 CD1 ILE A 369 20.183 21.536 -10.780 1.00 52.53 C ATOM 0 H ILE A 369 18.605 21.805 -13.644 1.00 40.42 H new ATOM 0 HA ILE A 369 20.910 23.637 -13.613 1.00 23.54 H new ATOM 0 HB ILE A 369 20.903 20.649 -13.200 1.00 73.14 H new ATOM 0 HG12 ILE A 369 22.269 21.282 -11.109 1.00 43.14 H new ATOM 0 HG13 ILE A 369 21.692 22.917 -11.363 1.00 43.14 H new ATOM 0 HG21 ILE A 369 23.393 20.818 -13.049 1.00 25.30 H new ATOM 0 HG22 ILE A 369 22.771 21.236 -14.664 1.00 25.30 H new ATOM 0 HG23 ILE A 369 23.279 22.523 -13.544 1.00 25.30 H new ATOM 0 HD11 ILE A 369 20.321 21.750 -9.720 1.00 52.53 H new ATOM 0 HD12 ILE A 369 19.363 22.140 -11.168 1.00 52.53 H new ATOM 0 HD13 ILE A 369 19.949 20.479 -10.909 1.00 52.53 H new ATOM 232 N GLY A 370 21.331 23.111 -16.090 1.00 22.14 N ATOM 233 CA GLY A 370 21.509 22.879 -17.519 1.00 33.54 C ATOM 234 C GLY A 370 20.235 23.008 -18.355 1.00 30.25 C ATOM 235 O GLY A 370 20.168 22.488 -19.465 1.00 73.21 O ATOM 0 H GLY A 370 21.847 23.914 -15.729 1.00 22.14 H new ATOM 0 HA2 GLY A 370 22.248 23.585 -17.898 1.00 33.54 H new ATOM 0 HA3 GLY A 370 21.920 21.880 -17.662 1.00 33.54 H new ATOM 239 N GLY A 371 19.237 23.694 -17.836 1.00 44.21 N ATOM 240 CA GLY A 371 18.022 23.926 -18.592 1.00 72.13 C ATOM 241 C GLY A 371 16.919 22.969 -18.228 1.00 41.20 C ATOM 242 O GLY A 371 15.750 23.200 -18.550 1.00 1.15 O ATOM 0 H GLY A 371 19.242 24.099 -16.900 1.00 44.21 H new ATOM 0 HA2 GLY A 371 17.682 24.947 -18.421 1.00 72.13 H new ATOM 0 HA3 GLY A 371 18.239 23.836 -19.656 1.00 72.13 H new ATOM 246 N TYR A 372 17.274 21.915 -17.553 1.00 44.13 N ATOM 247 CA TYR A 372 16.331 20.901 -17.162 1.00 74.31 C ATOM 248 C TYR A 372 16.149 20.826 -15.670 1.00 1.53 C ATOM 249 O TYR A 372 17.034 21.193 -14.897 1.00 33.21 O ATOM 250 CB TYR A 372 16.634 19.530 -17.806 1.00 40.14 C ATOM 251 CG TYR A 372 18.094 19.255 -18.072 1.00 52.04 C ATOM 252 CD1 TYR A 372 18.906 18.707 -17.117 1.00 14.15 C ATOM 253 CD2 TYR A 372 18.649 19.548 -19.313 1.00 44.22 C ATOM 254 CE1 TYR A 372 20.234 18.459 -17.376 1.00 12.32 C ATOM 255 CE2 TYR A 372 19.975 19.298 -19.579 1.00 2.30 C ATOM 256 CZ TYR A 372 20.761 18.753 -18.604 1.00 43.30 C ATOM 257 OH TYR A 372 22.088 18.487 -18.855 1.00 35.23 O ATOM 0 H TYR A 372 18.232 21.731 -17.255 1.00 44.13 H new ATOM 0 HA TYR A 372 15.365 21.209 -17.562 1.00 74.31 H new ATOM 0 HB2 TYR A 372 16.246 18.747 -17.155 1.00 40.14 H new ATOM 0 HB3 TYR A 372 16.090 19.460 -18.748 1.00 40.14 H new ATOM 0 HD1 TYR A 372 18.499 18.466 -16.146 1.00 14.15 H new ATOM 0 HD2 TYR A 372 18.027 19.980 -20.083 1.00 44.22 H new ATOM 0 HE1 TYR A 372 20.862 18.031 -16.608 1.00 12.32 H new ATOM 0 HE2 TYR A 372 20.390 19.530 -20.549 1.00 2.30 H new ATOM 0 HH TYR A 372 22.307 18.752 -19.773 1.00 35.23 H new ATOM 267 N THR A 373 15.013 20.348 -15.273 1.00 31.23 N ATOM 268 CA THR A 373 14.651 20.333 -13.900 1.00 71.33 C ATOM 269 C THR A 373 15.009 19.004 -13.278 1.00 74.44 C ATOM 270 O THR A 373 14.458 17.968 -13.635 1.00 2.21 O ATOM 271 CB THR A 373 13.139 20.603 -13.730 1.00 23.12 C ATOM 272 OG1 THR A 373 12.799 21.833 -14.404 1.00 23.42 O ATOM 273 CG2 THR A 373 12.770 20.728 -12.255 1.00 23.33 C ATOM 0 H THR A 373 14.310 19.956 -15.899 1.00 31.23 H new ATOM 0 HA THR A 373 15.205 21.124 -13.393 1.00 71.33 H new ATOM 0 HB THR A 373 12.587 19.767 -14.159 1.00 23.12 H new ATOM 0 HG1 THR A 373 11.840 22.008 -14.301 1.00 23.42 H new ATOM 0 HG21 THR A 373 11.701 20.918 -12.162 1.00 23.33 H new ATOM 0 HG22 THR A 373 13.020 19.802 -11.738 1.00 23.33 H new ATOM 0 HG23 THR A 373 13.325 21.554 -11.810 1.00 23.33 H new ATOM 281 N TYR A 374 15.925 19.044 -12.376 1.00 3.41 N ATOM 282 CA TYR A 374 16.325 17.890 -11.650 1.00 22.14 C ATOM 283 C TYR A 374 15.416 17.727 -10.471 1.00 62.03 C ATOM 284 O TYR A 374 15.225 18.666 -9.706 1.00 45.03 O ATOM 285 CB TYR A 374 17.769 18.022 -11.180 1.00 42.14 C ATOM 286 CG TYR A 374 18.823 17.813 -12.239 1.00 70.54 C ATOM 287 CD1 TYR A 374 19.236 18.838 -13.064 1.00 34.24 C ATOM 288 CD2 TYR A 374 19.428 16.574 -12.385 1.00 31.01 C ATOM 289 CE1 TYR A 374 20.222 18.631 -14.007 1.00 13.20 C ATOM 290 CE2 TYR A 374 20.417 16.368 -13.319 1.00 40.23 C ATOM 291 CZ TYR A 374 20.809 17.396 -14.125 1.00 22.04 C ATOM 292 OH TYR A 374 21.817 17.201 -15.050 1.00 42.45 O ATOM 0 H TYR A 374 16.426 19.894 -12.117 1.00 3.41 H new ATOM 0 HA TYR A 374 16.260 17.015 -12.297 1.00 22.14 H new ATOM 0 HB2 TYR A 374 17.903 19.015 -10.751 1.00 42.14 H new ATOM 0 HB3 TYR A 374 17.938 17.303 -10.378 1.00 42.14 H new ATOM 0 HD1 TYR A 374 18.783 19.814 -12.971 1.00 34.24 H new ATOM 0 HD2 TYR A 374 19.117 15.755 -11.753 1.00 31.01 H new ATOM 0 HE1 TYR A 374 20.532 19.440 -14.652 1.00 13.20 H new ATOM 0 HE2 TYR A 374 20.881 15.397 -13.413 1.00 40.23 H new ATOM 0 HH TYR A 374 22.126 16.272 -15.006 1.00 42.45 H new ATOM 302 N LYS A 375 14.834 16.569 -10.338 1.00 25.11 N ATOM 303 CA LYS A 375 13.944 16.307 -9.244 1.00 63.53 C ATOM 304 C LYS A 375 14.498 15.155 -8.458 1.00 64.04 C ATOM 305 O LYS A 375 14.704 14.084 -9.006 1.00 34.30 O ATOM 306 CB LYS A 375 12.557 15.906 -9.782 1.00 63.04 C ATOM 307 CG LYS A 375 11.485 15.731 -8.700 1.00 22.31 C ATOM 308 CD LYS A 375 10.171 15.144 -9.252 1.00 74.35 C ATOM 309 CE LYS A 375 9.646 15.925 -10.447 1.00 2.45 C ATOM 310 NZ LYS A 375 8.317 15.450 -10.898 1.00 4.33 N ATOM 0 H LYS A 375 14.962 15.786 -10.979 1.00 25.11 H new ATOM 0 HA LYS A 375 13.850 17.198 -8.624 1.00 63.53 H new ATOM 0 HB2 LYS A 375 12.222 16.665 -10.489 1.00 63.04 H new ATOM 0 HB3 LYS A 375 12.652 14.973 -10.337 1.00 63.04 H new ATOM 0 HG2 LYS A 375 11.869 15.078 -7.917 1.00 22.31 H new ATOM 0 HG3 LYS A 375 11.281 16.697 -8.238 1.00 22.31 H new ATOM 0 HD2 LYS A 375 10.333 14.106 -9.542 1.00 74.35 H new ATOM 0 HD3 LYS A 375 9.418 15.141 -8.464 1.00 74.35 H new ATOM 0 HE2 LYS A 375 9.581 16.981 -10.186 1.00 2.45 H new ATOM 0 HE3 LYS A 375 10.356 15.843 -11.270 1.00 2.45 H new ATOM 0 HZ1 LYS A 375 8.005 16.015 -11.714 1.00 4.33 H new ATOM 0 HZ2 LYS A 375 8.381 14.449 -11.174 1.00 4.33 H new ATOM 0 HZ3 LYS A 375 7.631 15.552 -10.123 1.00 4.33 H new ATOM 324 N VAL A 376 14.714 15.359 -7.199 1.00 25.31 N ATOM 325 CA VAL A 376 15.187 14.324 -6.332 1.00 71.22 C ATOM 326 C VAL A 376 14.067 13.943 -5.398 1.00 74.15 C ATOM 327 O VAL A 376 13.697 14.717 -4.506 1.00 25.22 O ATOM 328 CB VAL A 376 16.432 14.777 -5.508 1.00 62.20 C ATOM 329 CG1 VAL A 376 16.930 13.655 -4.601 1.00 72.11 C ATOM 330 CG2 VAL A 376 17.549 15.246 -6.431 1.00 34.40 C ATOM 0 H VAL A 376 14.566 16.256 -6.737 1.00 25.31 H new ATOM 0 HA VAL A 376 15.496 13.472 -6.938 1.00 71.22 H new ATOM 0 HB VAL A 376 16.127 15.613 -4.879 1.00 62.20 H new ATOM 0 HG11 VAL A 376 17.798 14.000 -4.039 1.00 72.11 H new ATOM 0 HG12 VAL A 376 16.139 13.369 -3.908 1.00 72.11 H new ATOM 0 HG13 VAL A 376 17.209 12.793 -5.208 1.00 72.11 H new ATOM 0 HG21 VAL A 376 18.407 15.557 -5.835 1.00 34.40 H new ATOM 0 HG22 VAL A 376 17.842 14.430 -7.091 1.00 34.40 H new ATOM 0 HG23 VAL A 376 17.198 16.087 -7.029 1.00 34.40 H new ATOM 340 N VAL A 377 13.492 12.774 -5.613 1.00 13.34 N ATOM 341 CA VAL A 377 12.415 12.322 -4.780 1.00 24.41 C ATOM 342 C VAL A 377 13.000 11.669 -3.512 1.00 41.42 C ATOM 343 O VAL A 377 12.293 11.400 -2.525 1.00 3.33 O ATOM 344 CB VAL A 377 11.506 11.351 -5.544 1.00 52.33 C ATOM 345 CG1 VAL A 377 10.287 11.050 -4.732 1.00 54.13 C ATOM 346 CG2 VAL A 377 11.113 11.937 -6.899 1.00 4.30 C ATOM 0 H VAL A 377 13.758 12.129 -6.357 1.00 13.34 H new ATOM 0 HA VAL A 377 11.799 13.172 -4.486 1.00 24.41 H new ATOM 0 HB VAL A 377 12.052 10.424 -5.719 1.00 52.33 H new ATOM 0 HG11 VAL A 377 9.646 10.360 -5.280 1.00 54.13 H new ATOM 0 HG12 VAL A 377 10.583 10.597 -3.786 1.00 54.13 H new ATOM 0 HG13 VAL A 377 9.743 11.974 -4.537 1.00 54.13 H new ATOM 0 HG21 VAL A 377 10.468 11.234 -7.426 1.00 4.30 H new ATOM 0 HG22 VAL A 377 10.580 12.876 -6.749 1.00 4.30 H new ATOM 0 HG23 VAL A 377 12.010 12.120 -7.490 1.00 4.30 H new ATOM 356 N PHE A 378 14.306 11.422 -3.579 1.00 30.25 N ATOM 357 CA PHE A 378 15.153 10.937 -2.475 1.00 64.10 C ATOM 358 C PHE A 378 14.920 9.442 -2.177 1.00 53.53 C ATOM 359 O PHE A 378 15.834 8.657 -2.209 1.00 70.23 O ATOM 360 CB PHE A 378 14.976 11.821 -1.211 1.00 54.01 C ATOM 361 CG PHE A 378 16.176 11.875 -0.301 1.00 10.23 C ATOM 362 CD1 PHE A 378 17.297 12.608 -0.670 1.00 41.13 C ATOM 363 CD2 PHE A 378 16.187 11.227 0.912 1.00 4.41 C ATOM 364 CE1 PHE A 378 18.398 12.685 0.155 1.00 70.55 C ATOM 365 CE2 PHE A 378 17.287 11.302 1.748 1.00 3.41 C ATOM 366 CZ PHE A 378 18.392 12.032 1.368 1.00 51.12 C ATOM 0 H PHE A 378 14.834 11.559 -4.441 1.00 30.25 H new ATOM 0 HA PHE A 378 16.192 11.025 -2.794 1.00 64.10 H new ATOM 0 HB2 PHE A 378 14.731 12.835 -1.526 1.00 54.01 H new ATOM 0 HB3 PHE A 378 14.123 11.450 -0.642 1.00 54.01 H new ATOM 0 HD1 PHE A 378 17.306 13.125 -1.618 1.00 41.13 H new ATOM 0 HD2 PHE A 378 15.325 10.652 1.216 1.00 4.41 H new ATOM 0 HE1 PHE A 378 19.263 13.256 -0.148 1.00 70.55 H new ATOM 0 HE2 PHE A 378 17.279 10.788 2.698 1.00 3.41 H new ATOM 0 HZ PHE A 378 19.251 12.092 2.019 1.00 51.12 H new ATOM 376 N TYR A 379 13.696 9.061 -1.923 1.00 74.15 N ATOM 377 CA TYR A 379 13.402 7.668 -1.606 1.00 60.13 C ATOM 378 C TYR A 379 12.803 6.950 -2.793 1.00 22.11 C ATOM 379 O TYR A 379 12.392 5.795 -2.702 1.00 30.43 O ATOM 380 CB TYR A 379 12.500 7.576 -0.386 1.00 51.12 C ATOM 381 CG TYR A 379 13.135 8.189 0.834 1.00 62.01 C ATOM 382 CD1 TYR A 379 14.055 7.478 1.594 1.00 43.42 C ATOM 383 CD2 TYR A 379 12.839 9.484 1.210 1.00 24.44 C ATOM 384 CE1 TYR A 379 14.660 8.047 2.697 1.00 4.44 C ATOM 385 CE2 TYR A 379 13.431 10.060 2.307 1.00 51.24 C ATOM 386 CZ TYR A 379 14.346 9.335 3.049 1.00 51.34 C ATOM 387 OH TYR A 379 14.949 9.911 4.147 1.00 54.03 O ATOM 0 H TYR A 379 12.886 9.681 -1.926 1.00 74.15 H new ATOM 0 HA TYR A 379 14.341 7.168 -1.367 1.00 60.13 H new ATOM 0 HB2 TYR A 379 11.556 8.079 -0.595 1.00 51.12 H new ATOM 0 HB3 TYR A 379 12.266 6.530 -0.186 1.00 51.12 H new ATOM 0 HD1 TYR A 379 14.301 6.463 1.318 1.00 43.42 H new ATOM 0 HD2 TYR A 379 12.129 10.055 0.630 1.00 24.44 H new ATOM 0 HE1 TYR A 379 15.375 7.483 3.278 1.00 4.44 H new ATOM 0 HE2 TYR A 379 13.184 11.073 2.589 1.00 51.24 H new ATOM 0 HH TYR A 379 14.618 10.827 4.259 1.00 54.03 H new ATOM 397 N GLU A 380 12.771 7.635 -3.911 1.00 34.50 N ATOM 398 CA GLU A 380 12.269 7.058 -5.135 1.00 21.41 C ATOM 399 C GLU A 380 13.292 7.085 -6.246 1.00 14.14 C ATOM 400 O GLU A 380 13.842 6.051 -6.622 1.00 22.23 O ATOM 401 CB GLU A 380 10.954 7.700 -5.601 1.00 55.54 C ATOM 402 CG GLU A 380 9.751 7.336 -4.764 1.00 73.12 C ATOM 403 CD GLU A 380 8.442 7.779 -5.385 1.00 55.42 C ATOM 404 OE1 GLU A 380 7.919 7.063 -6.272 1.00 70.21 O ATOM 405 OE2 GLU A 380 7.916 8.836 -5.011 1.00 14.40 O ATOM 0 H GLU A 380 13.089 8.600 -3.998 1.00 34.50 H new ATOM 0 HA GLU A 380 12.058 6.015 -4.897 1.00 21.41 H new ATOM 0 HB2 GLU A 380 11.071 8.784 -5.595 1.00 55.54 H new ATOM 0 HB3 GLU A 380 10.766 7.405 -6.633 1.00 55.54 H new ATOM 0 HG2 GLU A 380 9.730 6.256 -4.618 1.00 73.12 H new ATOM 0 HG3 GLU A 380 9.851 7.789 -3.778 1.00 73.12 H new ATOM 412 N ASN A 381 13.552 8.261 -6.770 1.00 44.22 N ATOM 413 CA ASN A 381 14.431 8.427 -7.915 1.00 53.11 C ATOM 414 C ASN A 381 14.704 9.877 -8.215 1.00 34.01 C ATOM 415 O ASN A 381 14.265 10.771 -7.468 1.00 23.22 O ATOM 416 CB ASN A 381 13.870 7.687 -9.150 1.00 60.41 C ATOM 417 CG ASN A 381 12.388 7.868 -9.341 1.00 53.10 C ATOM 418 OD1 ASN A 381 11.814 8.899 -9.003 1.00 42.02 O ATOM 419 ND2 ASN A 381 11.760 6.840 -9.836 1.00 13.45 N ATOM 0 H ASN A 381 13.161 9.134 -6.416 1.00 44.22 H new ATOM 0 HA ASN A 381 15.390 7.976 -7.658 1.00 53.11 H new ATOM 0 HB2 ASN A 381 14.388 8.041 -10.041 1.00 60.41 H new ATOM 0 HB3 ASN A 381 14.088 6.623 -9.056 1.00 60.41 H new ATOM 0 HD21 ASN A 381 10.748 6.871 -9.957 1.00 13.45 H new ATOM 0 HD22 ASN A 381 12.281 6.004 -10.103 1.00 13.45 H new ATOM 426 N VAL A 382 15.469 10.112 -9.274 1.00 32.14 N ATOM 427 CA VAL A 382 15.834 11.448 -9.697 1.00 1.44 C ATOM 428 C VAL A 382 15.570 11.594 -11.186 1.00 73.21 C ATOM 429 O VAL A 382 15.896 10.694 -11.972 1.00 0.25 O ATOM 430 CB VAL A 382 17.334 11.765 -9.416 1.00 52.12 C ATOM 431 CG1 VAL A 382 17.681 13.183 -9.860 1.00 60.24 C ATOM 432 CG2 VAL A 382 17.656 11.592 -7.945 1.00 31.12 C ATOM 0 H VAL A 382 15.853 9.373 -9.863 1.00 32.14 H new ATOM 0 HA VAL A 382 15.229 12.151 -9.124 1.00 1.44 H new ATOM 0 HB VAL A 382 17.936 11.061 -9.991 1.00 52.12 H new ATOM 0 HG11 VAL A 382 18.733 13.382 -9.654 1.00 60.24 H new ATOM 0 HG12 VAL A 382 17.495 13.285 -10.929 1.00 60.24 H new ATOM 0 HG13 VAL A 382 17.063 13.896 -9.314 1.00 60.24 H new ATOM 0 HG21 VAL A 382 18.708 11.819 -7.774 1.00 31.12 H new ATOM 0 HG22 VAL A 382 17.038 12.269 -7.355 1.00 31.12 H new ATOM 0 HG23 VAL A 382 17.453 10.563 -7.647 1.00 31.12 H new ATOM 442 N PHE A 383 14.993 12.707 -11.568 1.00 24.41 N ATOM 443 CA PHE A 383 14.668 12.959 -12.955 1.00 44.55 C ATOM 444 C PHE A 383 15.281 14.262 -13.401 1.00 30.01 C ATOM 445 O PHE A 383 15.670 15.086 -12.584 1.00 50.31 O ATOM 446 CB PHE A 383 13.154 13.131 -13.143 1.00 3.11 C ATOM 447 CG PHE A 383 12.297 12.043 -12.604 1.00 14.40 C ATOM 448 CD1 PHE A 383 12.074 10.891 -13.325 1.00 41.12 C ATOM 449 CD2 PHE A 383 11.698 12.187 -11.369 1.00 31.13 C ATOM 450 CE1 PHE A 383 11.267 9.897 -12.819 1.00 54.55 C ATOM 451 CE2 PHE A 383 10.894 11.209 -10.860 1.00 44.10 C ATOM 452 CZ PHE A 383 10.674 10.054 -11.587 1.00 64.32 C ATOM 0 H PHE A 383 14.736 13.462 -10.932 1.00 24.41 H new ATOM 0 HA PHE A 383 15.043 12.110 -13.527 1.00 44.55 H new ATOM 0 HB2 PHE A 383 12.855 14.068 -12.672 1.00 3.11 H new ATOM 0 HB3 PHE A 383 12.951 13.231 -14.209 1.00 3.11 H new ATOM 0 HD1 PHE A 383 12.535 10.767 -14.294 1.00 41.12 H new ATOM 0 HD2 PHE A 383 11.868 13.087 -10.797 1.00 31.13 H new ATOM 0 HE1 PHE A 383 11.099 8.995 -13.388 1.00 54.55 H new ATOM 0 HE2 PHE A 383 10.431 11.337 -9.893 1.00 44.10 H new ATOM 0 HZ PHE A 383 10.038 9.277 -11.189 1.00 64.32 H new ATOM 462 N GLN A 384 15.371 14.416 -14.688 1.00 20.24 N ATOM 463 CA GLN A 384 15.656 15.674 -15.321 1.00 51.34 C ATOM 464 C GLN A 384 14.556 15.936 -16.314 1.00 43.22 C ATOM 465 O GLN A 384 14.510 15.336 -17.397 1.00 63.31 O ATOM 466 CB GLN A 384 17.050 15.750 -15.955 1.00 75.43 C ATOM 467 CG GLN A 384 17.422 14.569 -16.833 1.00 62.44 C ATOM 468 CD GLN A 384 18.810 14.682 -17.450 1.00 32.20 C ATOM 469 OE1 GLN A 384 19.056 14.188 -18.545 1.00 42.14 O ATOM 470 NE2 GLN A 384 19.725 15.306 -16.756 1.00 52.21 N ATOM 0 H GLN A 384 15.245 13.649 -15.348 1.00 20.24 H new ATOM 0 HA GLN A 384 15.680 16.456 -14.562 1.00 51.34 H new ATOM 0 HB2 GLN A 384 17.112 16.660 -16.551 1.00 75.43 H new ATOM 0 HB3 GLN A 384 17.790 15.839 -15.160 1.00 75.43 H new ATOM 0 HG2 GLN A 384 17.370 13.656 -16.240 1.00 62.44 H new ATOM 0 HG3 GLN A 384 16.685 14.474 -17.631 1.00 62.44 H new ATOM 0 HE21 GLN A 384 19.491 15.707 -15.848 1.00 52.21 H new ATOM 0 HE22 GLN A 384 20.673 15.392 -17.123 1.00 52.21 H new ATOM 479 N ASP A 385 13.631 16.768 -15.887 1.00 51.34 N ATOM 480 CA ASP A 385 12.403 17.101 -16.603 1.00 61.43 C ATOM 481 C ASP A 385 11.466 15.910 -16.603 1.00 71.12 C ATOM 482 O ASP A 385 10.541 15.830 -15.790 1.00 12.55 O ATOM 483 CB ASP A 385 12.649 17.602 -18.032 1.00 22.14 C ATOM 484 CG ASP A 385 11.363 18.020 -18.703 1.00 53.43 C ATOM 485 OD1 ASP A 385 10.880 19.130 -18.426 1.00 21.15 O ATOM 486 OD2 ASP A 385 10.817 17.246 -19.517 1.00 2.44 O ATOM 0 H ASP A 385 13.711 17.255 -14.994 1.00 51.34 H new ATOM 0 HA ASP A 385 11.940 17.932 -16.070 1.00 61.43 H new ATOM 0 HB2 ASP A 385 13.339 18.446 -18.009 1.00 22.14 H new ATOM 0 HB3 ASP A 385 13.126 16.816 -18.617 1.00 22.14 H new ATOM 491 N SER A 386 11.732 14.977 -17.475 1.00 31.24 N ATOM 492 CA SER A 386 10.967 13.773 -17.558 1.00 12.43 C ATOM 493 C SER A 386 11.904 12.593 -17.826 1.00 41.34 C ATOM 494 O SER A 386 11.465 11.450 -17.901 1.00 1.42 O ATOM 495 CB SER A 386 9.904 13.904 -18.664 1.00 44.12 C ATOM 496 OG SER A 386 9.026 12.778 -18.718 1.00 65.34 O ATOM 0 H SER A 386 12.493 15.036 -18.152 1.00 31.24 H new ATOM 0 HA SER A 386 10.451 13.596 -16.615 1.00 12.43 H new ATOM 0 HB2 SER A 386 9.319 14.808 -18.496 1.00 44.12 H new ATOM 0 HB3 SER A 386 10.400 14.020 -19.628 1.00 44.12 H new ATOM 0 HG SER A 386 9.475 11.994 -18.338 1.00 65.34 H new ATOM 502 N ILE A 387 13.199 12.880 -17.953 1.00 0.14 N ATOM 503 CA ILE A 387 14.194 11.853 -18.204 1.00 4.13 C ATOM 504 C ILE A 387 14.716 11.323 -16.879 1.00 51.43 C ATOM 505 O ILE A 387 15.313 12.056 -16.090 1.00 20.14 O ATOM 506 CB ILE A 387 15.377 12.385 -19.067 1.00 4.41 C ATOM 507 CG1 ILE A 387 14.882 12.882 -20.438 1.00 0.14 C ATOM 508 CG2 ILE A 387 16.469 11.326 -19.233 1.00 73.05 C ATOM 509 CD1 ILE A 387 14.202 11.820 -21.286 1.00 30.22 C ATOM 0 H ILE A 387 13.580 13.824 -17.885 1.00 0.14 H new ATOM 0 HA ILE A 387 13.716 11.051 -18.766 1.00 4.13 H new ATOM 0 HB ILE A 387 15.814 13.231 -18.537 1.00 4.41 H new ATOM 0 HG12 ILE A 387 14.185 13.705 -20.282 1.00 0.14 H new ATOM 0 HG13 ILE A 387 15.730 13.283 -20.993 1.00 0.14 H new ATOM 0 HG21 ILE A 387 17.279 11.730 -19.840 1.00 73.05 H new ATOM 0 HG22 ILE A 387 16.855 11.045 -18.253 1.00 73.05 H new ATOM 0 HG23 ILE A 387 16.052 10.447 -19.724 1.00 73.05 H new ATOM 0 HD11 ILE A 387 13.886 12.258 -22.233 1.00 30.22 H new ATOM 0 HD12 ILE A 387 14.900 11.005 -21.478 1.00 30.22 H new ATOM 0 HD13 ILE A 387 13.331 11.434 -20.756 1.00 30.22 H new ATOM 521 N LEU A 388 14.458 10.082 -16.644 1.00 55.11 N ATOM 522 CA LEU A 388 14.837 9.402 -15.429 1.00 2.11 C ATOM 523 C LEU A 388 16.344 9.104 -15.365 1.00 22.11 C ATOM 524 O LEU A 388 16.859 8.320 -16.140 1.00 71.21 O ATOM 525 CB LEU A 388 14.013 8.116 -15.344 1.00 11.10 C ATOM 526 CG LEU A 388 14.372 7.118 -14.268 1.00 54.11 C ATOM 527 CD1 LEU A 388 14.255 7.728 -12.880 1.00 41.13 C ATOM 528 CD2 LEU A 388 13.491 5.890 -14.395 1.00 2.04 C ATOM 0 H LEU A 388 13.963 9.484 -17.306 1.00 55.11 H new ATOM 0 HA LEU A 388 14.632 10.048 -14.575 1.00 2.11 H new ATOM 0 HB2 LEU A 388 12.969 8.396 -15.206 1.00 11.10 H new ATOM 0 HB3 LEU A 388 14.082 7.610 -16.307 1.00 11.10 H new ATOM 0 HG LEU A 388 15.413 6.825 -14.404 1.00 54.11 H new ATOM 0 HD11 LEU A 388 14.521 6.982 -12.131 1.00 41.13 H new ATOM 0 HD12 LEU A 388 14.930 8.580 -12.799 1.00 41.13 H new ATOM 0 HD13 LEU A 388 13.230 8.060 -12.714 1.00 41.13 H new ATOM 0 HD21 LEU A 388 13.753 5.172 -13.617 1.00 2.04 H new ATOM 0 HD22 LEU A 388 12.446 6.179 -14.285 1.00 2.04 H new ATOM 0 HD23 LEU A 388 13.640 5.435 -15.374 1.00 2.04 H new ATOM 540 N LEU A 389 17.039 9.755 -14.452 1.00 22.31 N ATOM 541 CA LEU A 389 18.455 9.476 -14.246 1.00 64.22 C ATOM 542 C LEU A 389 18.645 8.071 -13.681 1.00 41.43 C ATOM 543 O LEU A 389 19.124 7.184 -14.360 1.00 11.31 O ATOM 544 CB LEU A 389 19.094 10.504 -13.311 1.00 53.31 C ATOM 545 CG LEU A 389 19.045 11.957 -13.769 1.00 42.24 C ATOM 546 CD1 LEU A 389 19.774 12.841 -12.781 1.00 13.21 C ATOM 547 CD2 LEU A 389 19.644 12.104 -15.156 1.00 34.13 C ATOM 0 H LEU A 389 16.653 10.477 -13.843 1.00 22.31 H new ATOM 0 HA LEU A 389 18.950 9.542 -15.215 1.00 64.22 H new ATOM 0 HB2 LEU A 389 18.603 10.435 -12.340 1.00 53.31 H new ATOM 0 HB3 LEU A 389 20.138 10.228 -13.161 1.00 53.31 H new ATOM 0 HG LEU A 389 18.002 12.269 -13.815 1.00 42.24 H new ATOM 0 HD11 LEU A 389 19.732 13.876 -13.119 1.00 13.21 H new ATOM 0 HD12 LEU A 389 19.301 12.760 -11.802 1.00 13.21 H new ATOM 0 HD13 LEU A 389 20.815 12.525 -12.709 1.00 13.21 H new ATOM 0 HD21 LEU A 389 19.599 13.149 -15.463 1.00 34.13 H new ATOM 0 HD22 LEU A 389 20.683 11.775 -15.140 1.00 34.13 H new ATOM 0 HD23 LEU A 389 19.081 11.494 -15.862 1.00 34.13 H new ATOM 559 N GLY A 390 18.220 7.868 -12.464 1.00 61.04 N ATOM 560 CA GLY A 390 18.395 6.586 -11.841 1.00 60.13 C ATOM 561 C GLY A 390 17.346 6.347 -10.807 1.00 4.20 C ATOM 562 O GLY A 390 16.555 7.243 -10.526 1.00 61.41 O ATOM 0 H GLY A 390 17.753 8.569 -11.888 1.00 61.04 H new ATOM 0 HA2 GLY A 390 18.352 5.801 -12.596 1.00 60.13 H new ATOM 0 HA3 GLY A 390 19.382 6.532 -11.382 1.00 60.13 H new ATOM 566 N ASN A 391 17.363 5.173 -10.196 1.00 32.34 N ATOM 567 CA ASN A 391 16.327 4.809 -9.214 1.00 15.33 C ATOM 568 C ASN A 391 16.924 4.410 -7.959 1.00 62.31 C ATOM 569 O ASN A 391 17.986 3.779 -7.943 1.00 64.43 O ATOM 570 CB ASN A 391 15.397 3.702 -9.674 1.00 63.21 C ATOM 571 CG ASN A 391 14.571 4.097 -10.827 1.00 71.33 C ATOM 572 OD1 ASN A 391 13.471 4.641 -10.679 1.00 74.53 O ATOM 573 ND2 ASN A 391 15.051 3.831 -11.971 1.00 45.43 N ATOM 0 H ASN A 391 18.071 4.455 -10.353 1.00 32.34 H new ATOM 0 HA ASN A 391 15.728 5.712 -9.093 1.00 15.33 H new ATOM 0 HB2 ASN A 391 15.986 2.824 -9.938 1.00 63.21 H new ATOM 0 HB3 ASN A 391 14.747 3.413 -8.848 1.00 63.21 H new ATOM 0 HD21 ASN A 391 14.525 4.067 -12.812 1.00 45.43 H new ATOM 0 HD22 ASN A 391 15.963 3.381 -12.049 1.00 45.43 H new ATOM 580 N PHE A 392 16.246 4.726 -6.912 1.00 10.32 N ATOM 581 CA PHE A 392 16.776 4.481 -5.569 1.00 24.01 C ATOM 582 C PHE A 392 16.938 3.000 -5.322 1.00 15.14 C ATOM 583 O PHE A 392 15.960 2.246 -5.296 1.00 22.25 O ATOM 584 CB PHE A 392 15.901 5.135 -4.484 1.00 55.02 C ATOM 585 CG PHE A 392 16.385 4.900 -3.079 1.00 1.41 C ATOM 586 CD1 PHE A 392 17.558 5.483 -2.629 1.00 24.30 C ATOM 587 CD2 PHE A 392 15.671 4.090 -2.213 1.00 41.10 C ATOM 588 CE1 PHE A 392 18.008 5.260 -1.343 1.00 32.01 C ATOM 589 CE2 PHE A 392 16.115 3.864 -0.930 1.00 65.34 C ATOM 590 CZ PHE A 392 17.285 4.451 -0.491 1.00 42.15 C ATOM 0 H PHE A 392 15.321 5.156 -6.934 1.00 10.32 H new ATOM 0 HA PHE A 392 17.760 4.946 -5.511 1.00 24.01 H new ATOM 0 HB2 PHE A 392 15.857 6.209 -4.667 1.00 55.02 H new ATOM 0 HB3 PHE A 392 14.884 4.754 -4.575 1.00 55.02 H new ATOM 0 HD1 PHE A 392 18.127 6.119 -3.291 1.00 24.30 H new ATOM 0 HD2 PHE A 392 14.754 3.629 -2.548 1.00 41.10 H new ATOM 0 HE1 PHE A 392 18.925 5.719 -1.004 1.00 32.01 H new ATOM 0 HE2 PHE A 392 15.548 3.228 -0.267 1.00 65.34 H new ATOM 0 HZ PHE A 392 17.633 4.277 0.516 1.00 42.15 H new ATOM 600 N ALA A 393 18.166 2.589 -5.150 1.00 0.14 N ATOM 601 CA ALA A 393 18.469 1.205 -4.936 1.00 61.52 C ATOM 602 C ALA A 393 19.033 0.989 -3.557 1.00 21.01 C ATOM 603 O ALA A 393 18.617 0.081 -2.841 1.00 54.22 O ATOM 604 CB ALA A 393 19.441 0.708 -5.996 1.00 44.12 C ATOM 0 H ALA A 393 18.980 3.204 -5.155 1.00 0.14 H new ATOM 0 HA ALA A 393 17.544 0.633 -5.017 1.00 61.52 H new ATOM 0 HB1 ALA A 393 19.663 -0.345 -5.821 1.00 44.12 H new ATOM 0 HB2 ALA A 393 18.994 0.826 -6.983 1.00 44.12 H new ATOM 0 HB3 ALA A 393 20.363 1.286 -5.944 1.00 44.12 H new ATOM 610 N SER A 394 19.969 1.828 -3.173 1.00 64.42 N ATOM 611 CA SER A 394 20.619 1.678 -1.908 1.00 14.23 C ATOM 612 C SER A 394 21.084 3.007 -1.349 1.00 14.42 C ATOM 613 O SER A 394 21.338 3.967 -2.096 1.00 11.04 O ATOM 614 CB SER A 394 21.805 0.720 -2.059 1.00 32.42 C ATOM 615 OG SER A 394 22.684 1.142 -3.111 1.00 61.33 O ATOM 0 H SER A 394 20.292 2.621 -3.727 1.00 64.42 H new ATOM 0 HA SER A 394 19.898 1.267 -1.201 1.00 14.23 H new ATOM 0 HB2 SER A 394 22.356 0.669 -1.120 1.00 32.42 H new ATOM 0 HB3 SER A 394 21.439 -0.285 -2.269 1.00 32.42 H new ATOM 0 HG SER A 394 23.432 0.514 -3.184 1.00 61.33 H new ATOM 621 N GLN A 395 21.174 3.062 -0.049 1.00 62.25 N ATOM 622 CA GLN A 395 21.709 4.195 0.631 1.00 11.44 C ATOM 623 C GLN A 395 23.043 3.765 1.195 1.00 3.11 C ATOM 624 O GLN A 395 23.108 2.839 2.010 1.00 32.35 O ATOM 625 CB GLN A 395 20.782 4.618 1.771 1.00 5.34 C ATOM 626 CG GLN A 395 21.242 5.862 2.524 1.00 14.24 C ATOM 627 CD GLN A 395 20.347 6.184 3.699 1.00 32.43 C ATOM 628 OE1 GLN A 395 19.357 6.905 3.567 1.00 61.35 O ATOM 629 NE2 GLN A 395 20.691 5.671 4.855 1.00 51.10 N ATOM 0 H GLN A 395 20.873 2.309 0.570 1.00 62.25 H new ATOM 0 HA GLN A 395 21.813 5.042 -0.047 1.00 11.44 H new ATOM 0 HB2 GLN A 395 19.787 4.800 1.366 1.00 5.34 H new ATOM 0 HB3 GLN A 395 20.693 3.792 2.477 1.00 5.34 H new ATOM 0 HG2 GLN A 395 22.263 5.714 2.877 1.00 14.24 H new ATOM 0 HG3 GLN A 395 21.261 6.711 1.841 1.00 14.24 H new ATOM 0 HE21 GLN A 395 21.518 5.078 4.924 1.00 51.10 H new ATOM 0 HE22 GLN A 395 20.131 5.864 5.686 1.00 51.10 H new ATOM 638 N GLU A 396 24.076 4.404 0.772 1.00 41.45 N ATOM 639 CA GLU A 396 25.406 4.071 1.188 1.00 54.42 C ATOM 640 C GLU A 396 25.966 5.211 1.997 1.00 54.32 C ATOM 641 O GLU A 396 26.346 6.256 1.455 1.00 13.34 O ATOM 642 CB GLU A 396 26.262 3.739 -0.030 1.00 62.54 C ATOM 643 CG GLU A 396 25.792 2.476 -0.751 1.00 42.22 C ATOM 644 CD GLU A 396 26.482 2.245 -2.063 1.00 10.43 C ATOM 645 OE1 GLU A 396 27.724 2.075 -2.086 1.00 62.23 O ATOM 646 OE2 GLU A 396 25.795 2.261 -3.109 1.00 24.23 O ATOM 0 H GLU A 396 24.028 5.185 0.118 1.00 41.45 H new ATOM 0 HA GLU A 396 25.400 3.184 1.822 1.00 54.42 H new ATOM 0 HB2 GLU A 396 26.241 4.579 -0.725 1.00 62.54 H new ATOM 0 HB3 GLU A 396 27.298 3.610 0.283 1.00 62.54 H new ATOM 0 HG2 GLU A 396 25.959 1.614 -0.105 1.00 42.22 H new ATOM 0 HG3 GLU A 396 24.717 2.543 -0.921 1.00 42.22 H new ATOM 653 N GLY A 397 25.979 5.027 3.295 1.00 42.12 N ATOM 654 CA GLY A 397 26.357 6.085 4.185 1.00 53.11 C ATOM 655 C GLY A 397 25.265 7.124 4.211 1.00 72.44 C ATOM 656 O GLY A 397 24.104 6.805 4.495 1.00 72.41 O ATOM 0 H GLY A 397 25.731 4.151 3.754 1.00 42.12 H new ATOM 0 HA2 GLY A 397 26.525 5.691 5.187 1.00 53.11 H new ATOM 0 HA3 GLY A 397 27.295 6.534 3.858 1.00 53.11 H new ATOM 660 N ASN A 398 25.603 8.344 3.909 1.00 41.32 N ATOM 661 CA ASN A 398 24.602 9.392 3.821 1.00 2.43 C ATOM 662 C ASN A 398 24.401 9.746 2.336 1.00 61.05 C ATOM 663 O ASN A 398 23.743 10.716 1.977 1.00 44.45 O ATOM 664 CB ASN A 398 25.025 10.617 4.656 1.00 20.10 C ATOM 665 CG ASN A 398 23.898 11.628 4.859 1.00 25.24 C ATOM 666 OD1 ASN A 398 22.719 11.274 4.877 1.00 54.14 O ATOM 667 ND2 ASN A 398 24.247 12.871 5.056 1.00 44.44 N ATOM 0 H ASN A 398 26.558 8.647 3.718 1.00 41.32 H new ATOM 0 HA ASN A 398 23.654 9.047 4.233 1.00 2.43 H new ATOM 0 HB2 ASN A 398 25.381 10.279 5.629 1.00 20.10 H new ATOM 0 HB3 ASN A 398 25.863 11.111 4.165 1.00 20.10 H new ATOM 0 HD21 ASN A 398 23.534 13.579 5.231 1.00 44.44 H new ATOM 0 HD22 ASN A 398 25.232 13.133 5.035 1.00 44.44 H new ATOM 674 N VAL A 399 24.981 8.918 1.480 1.00 14.34 N ATOM 675 CA VAL A 399 24.901 9.084 0.045 1.00 42.12 C ATOM 676 C VAL A 399 23.893 8.101 -0.530 1.00 2.32 C ATOM 677 O VAL A 399 23.952 6.902 -0.260 1.00 14.35 O ATOM 678 CB VAL A 399 26.284 8.852 -0.627 1.00 61.23 C ATOM 679 CG1 VAL A 399 26.184 8.962 -2.136 1.00 72.54 C ATOM 680 CG2 VAL A 399 27.303 9.840 -0.099 1.00 65.15 C ATOM 0 H VAL A 399 25.525 8.105 1.770 1.00 14.34 H new ATOM 0 HA VAL A 399 24.584 10.107 -0.159 1.00 42.12 H new ATOM 0 HB VAL A 399 26.610 7.842 -0.379 1.00 61.23 H new ATOM 0 HG11 VAL A 399 27.166 8.795 -2.579 1.00 72.54 H new ATOM 0 HG12 VAL A 399 25.485 8.213 -2.510 1.00 72.54 H new ATOM 0 HG13 VAL A 399 25.829 9.957 -2.406 1.00 72.54 H new ATOM 0 HG21 VAL A 399 28.265 9.663 -0.580 1.00 65.15 H new ATOM 0 HG22 VAL A 399 26.971 10.856 -0.315 1.00 65.15 H new ATOM 0 HG23 VAL A 399 27.408 9.714 0.979 1.00 65.15 H new ATOM 690 N LEU A 400 22.974 8.592 -1.301 1.00 20.11 N ATOM 691 CA LEU A 400 21.975 7.742 -1.897 1.00 24.21 C ATOM 692 C LEU A 400 22.301 7.465 -3.351 1.00 63.23 C ATOM 693 O LEU A 400 22.612 8.388 -4.120 1.00 61.12 O ATOM 694 CB LEU A 400 20.546 8.305 -1.746 1.00 54.12 C ATOM 695 CG LEU A 400 19.937 8.337 -0.320 1.00 61.32 C ATOM 696 CD1 LEU A 400 20.658 9.302 0.609 1.00 13.13 C ATOM 697 CD2 LEU A 400 18.465 8.660 -0.381 1.00 22.33 C ATOM 0 H LEU A 400 22.889 9.581 -1.537 1.00 20.11 H new ATOM 0 HA LEU A 400 21.996 6.799 -1.350 1.00 24.21 H new ATOM 0 HB2 LEU A 400 20.542 9.323 -2.136 1.00 54.12 H new ATOM 0 HB3 LEU A 400 19.884 7.717 -2.382 1.00 54.12 H new ATOM 0 HG LEU A 400 20.069 7.340 0.101 1.00 61.32 H new ATOM 0 HD11 LEU A 400 20.187 9.281 1.592 1.00 13.13 H new ATOM 0 HD12 LEU A 400 21.703 9.006 0.701 1.00 13.13 H new ATOM 0 HD13 LEU A 400 20.601 10.311 0.201 1.00 13.13 H new ATOM 0 HD21 LEU A 400 18.054 8.678 0.629 1.00 22.33 H new ATOM 0 HD22 LEU A 400 18.326 9.635 -0.847 1.00 22.33 H new ATOM 0 HD23 LEU A 400 17.950 7.900 -0.969 1.00 22.33 H new ATOM 709 N LYS A 401 22.243 6.206 -3.723 1.00 63.11 N ATOM 710 CA LYS A 401 22.563 5.786 -5.064 1.00 52.15 C ATOM 711 C LYS A 401 21.323 5.342 -5.855 1.00 73.52 C ATOM 712 O LYS A 401 20.553 4.459 -5.426 1.00 15.41 O ATOM 713 CB LYS A 401 23.696 4.720 -5.061 1.00 5.30 C ATOM 714 CG LYS A 401 23.927 4.032 -6.402 1.00 22.12 C ATOM 715 CD LYS A 401 24.066 5.032 -7.534 1.00 12.11 C ATOM 716 CE LYS A 401 24.096 4.332 -8.861 1.00 22.21 C ATOM 717 NZ LYS A 401 25.416 3.757 -9.161 1.00 72.30 N ATOM 0 H LYS A 401 21.972 5.445 -3.101 1.00 63.11 H new ATOM 0 HA LYS A 401 22.946 6.656 -5.596 1.00 52.15 H new ATOM 0 HB2 LYS A 401 24.625 5.197 -4.748 1.00 5.30 H new ATOM 0 HB3 LYS A 401 23.461 3.961 -4.315 1.00 5.30 H new ATOM 0 HG2 LYS A 401 24.827 3.420 -6.346 1.00 22.12 H new ATOM 0 HG3 LYS A 401 23.096 3.359 -6.612 1.00 22.12 H new ATOM 0 HD2 LYS A 401 23.234 5.736 -7.508 1.00 12.11 H new ATOM 0 HD3 LYS A 401 24.979 5.612 -7.403 1.00 12.11 H new ATOM 0 HE2 LYS A 401 23.347 3.540 -8.868 1.00 22.21 H new ATOM 0 HE3 LYS A 401 23.822 5.036 -9.647 1.00 22.21 H new ATOM 0 HZ1 LYS A 401 25.295 2.841 -9.638 1.00 72.30 H new ATOM 0 HZ2 LYS A 401 25.943 4.403 -9.782 1.00 72.30 H new ATOM 0 HZ3 LYS A 401 25.944 3.620 -8.276 1.00 72.30 H new ATOM 731 N TYR A 402 21.150 5.972 -7.015 1.00 73.51 N ATOM 732 CA TYR A 402 20.061 5.720 -7.894 1.00 23.14 C ATOM 733 C TYR A 402 20.605 5.196 -9.247 1.00 23.42 C ATOM 734 O TYR A 402 21.387 5.875 -9.885 1.00 13.05 O ATOM 735 CB TYR A 402 19.331 7.044 -8.165 1.00 72.12 C ATOM 736 CG TYR A 402 18.925 7.837 -6.939 1.00 12.32 C ATOM 737 CD1 TYR A 402 19.835 8.660 -6.303 1.00 61.42 C ATOM 738 CD2 TYR A 402 17.639 7.789 -6.440 1.00 3.23 C ATOM 739 CE1 TYR A 402 19.484 9.404 -5.215 1.00 43.35 C ATOM 740 CE2 TYR A 402 17.277 8.540 -5.334 1.00 15.43 C ATOM 741 CZ TYR A 402 18.216 9.347 -4.732 1.00 40.02 C ATOM 742 OH TYR A 402 17.879 10.115 -3.650 1.00 34.03 O ATOM 0 H TYR A 402 21.792 6.686 -7.359 1.00 73.51 H new ATOM 0 HA TYR A 402 19.391 4.988 -7.443 1.00 23.14 H new ATOM 0 HB2 TYR A 402 19.973 7.671 -8.784 1.00 72.12 H new ATOM 0 HB3 TYR A 402 18.436 6.830 -8.749 1.00 72.12 H new ATOM 0 HD1 TYR A 402 20.847 8.715 -6.676 1.00 61.42 H new ATOM 0 HD2 TYR A 402 16.905 7.157 -6.918 1.00 3.23 H new ATOM 0 HE1 TYR A 402 20.215 10.039 -4.737 1.00 43.35 H new ATOM 0 HE2 TYR A 402 16.269 8.493 -4.948 1.00 15.43 H new ATOM 0 HH TYR A 402 17.894 11.062 -3.903 1.00 34.03 H new ATOM 752 N GLU A 403 20.217 4.006 -9.674 1.00 71.11 N ATOM 753 CA GLU A 403 20.637 3.513 -11.002 1.00 50.05 C ATOM 754 C GLU A 403 19.497 2.792 -11.709 1.00 13.42 C ATOM 755 O GLU A 403 18.382 2.775 -11.207 1.00 2.11 O ATOM 756 CB GLU A 403 21.888 2.619 -10.948 1.00 54.21 C ATOM 757 CG GLU A 403 21.735 1.339 -10.164 1.00 64.45 C ATOM 758 CD GLU A 403 22.981 0.494 -10.220 1.00 63.42 C ATOM 759 OE1 GLU A 403 23.234 -0.154 -11.261 1.00 74.31 O ATOM 760 OE2 GLU A 403 23.716 0.448 -9.225 1.00 41.01 O ATOM 0 H GLU A 403 19.625 3.366 -9.144 1.00 71.11 H new ATOM 0 HA GLU A 403 20.907 4.398 -11.579 1.00 50.05 H new ATOM 0 HB2 GLU A 403 22.179 2.368 -11.968 1.00 54.21 H new ATOM 0 HB3 GLU A 403 22.707 3.194 -10.516 1.00 54.21 H new ATOM 0 HG2 GLU A 403 21.503 1.575 -9.126 1.00 64.45 H new ATOM 0 HG3 GLU A 403 20.893 0.770 -10.558 1.00 64.45 H new ATOM 767 N ASN A 404 19.799 2.214 -12.883 1.00 25.34 N ATOM 768 CA ASN A 404 18.814 1.470 -13.724 1.00 54.15 C ATOM 769 C ASN A 404 17.745 2.393 -14.266 1.00 10.12 C ATOM 770 O ASN A 404 16.638 1.956 -14.573 1.00 43.22 O ATOM 771 CB ASN A 404 18.141 0.281 -12.973 1.00 54.30 C ATOM 772 CG ASN A 404 19.088 -0.844 -12.603 1.00 22.15 C ATOM 773 OD1 ASN A 404 19.325 -1.761 -13.393 1.00 53.42 O ATOM 774 ND2 ASN A 404 19.590 -0.820 -11.400 1.00 31.21 N ATOM 0 H ASN A 404 20.735 2.243 -13.288 1.00 25.34 H new ATOM 0 HA ASN A 404 19.390 1.054 -14.550 1.00 54.15 H new ATOM 0 HB2 ASN A 404 17.674 0.660 -12.064 1.00 54.30 H new ATOM 0 HB3 ASN A 404 17.344 -0.122 -13.597 1.00 54.30 H new ATOM 0 HD21 ASN A 404 20.200 -1.575 -11.087 1.00 31.21 H new ATOM 0 HD22 ASN A 404 19.373 -0.046 -10.772 1.00 31.21 H new ATOM 781 N GLY A 405 18.095 3.660 -14.436 1.00 13.04 N ATOM 782 CA GLY A 405 17.141 4.623 -14.918 1.00 72.22 C ATOM 783 C GLY A 405 16.933 4.551 -16.418 1.00 22.12 C ATOM 784 O GLY A 405 16.893 3.468 -17.007 1.00 53.11 O ATOM 0 H GLY A 405 19.025 4.033 -14.247 1.00 13.04 H new ATOM 0 HA2 GLY A 405 16.187 4.463 -14.416 1.00 72.22 H new ATOM 0 HA3 GLY A 405 17.478 5.625 -14.651 1.00 72.22 H new ATOM 788 N GLN A 406 16.826 5.679 -17.025 1.00 2.33 N ATOM 789 CA GLN A 406 16.583 5.793 -18.443 1.00 32.43 C ATOM 790 C GLN A 406 17.950 5.651 -19.128 1.00 55.41 C ATOM 791 O GLN A 406 18.972 6.000 -18.532 1.00 0.54 O ATOM 792 CB GLN A 406 15.936 7.176 -18.681 1.00 53.40 C ATOM 793 CG GLN A 406 15.140 7.409 -19.963 1.00 61.02 C ATOM 794 CD GLN A 406 15.944 7.404 -21.241 1.00 32.11 C ATOM 795 OE1 GLN A 406 16.107 6.372 -21.876 1.00 63.11 O ATOM 796 NE2 GLN A 406 16.446 8.548 -21.623 1.00 61.32 N ATOM 0 H GLN A 406 16.905 6.578 -16.549 1.00 2.33 H new ATOM 0 HA GLN A 406 15.912 5.034 -18.844 1.00 32.43 H new ATOM 0 HB2 GLN A 406 15.273 7.378 -17.840 1.00 53.40 H new ATOM 0 HB3 GLN A 406 16.730 7.921 -18.647 1.00 53.40 H new ATOM 0 HG2 GLN A 406 14.370 6.641 -20.036 1.00 61.02 H new ATOM 0 HG3 GLN A 406 14.627 8.367 -19.882 1.00 61.02 H new ATOM 0 HE21 GLN A 406 16.287 9.387 -21.065 1.00 61.32 H new ATOM 0 HE22 GLN A 406 16.997 8.603 -22.480 1.00 61.32 H new ATOM 805 N SER A 407 17.978 5.073 -20.302 1.00 52.53 N ATOM 806 CA SER A 407 19.213 4.875 -21.041 1.00 30.41 C ATOM 807 C SER A 407 19.954 6.206 -21.308 1.00 64.24 C ATOM 808 O SER A 407 19.352 7.284 -21.387 1.00 74.14 O ATOM 809 CB SER A 407 18.926 4.132 -22.348 1.00 62.23 C ATOM 810 OG SER A 407 18.336 2.857 -22.083 1.00 34.41 O ATOM 0 H SER A 407 17.147 4.723 -20.779 1.00 52.53 H new ATOM 0 HA SER A 407 19.877 4.267 -20.426 1.00 30.41 H new ATOM 0 HB2 SER A 407 18.257 4.726 -22.971 1.00 62.23 H new ATOM 0 HB3 SER A 407 19.851 4.001 -22.909 1.00 62.23 H new ATOM 0 HG SER A 407 18.158 2.397 -22.930 1.00 34.41 H new ATOM 816 N CYS A 408 21.249 6.117 -21.407 1.00 34.51 N ATOM 817 CA CYS A 408 22.096 7.267 -21.645 1.00 75.41 C ATOM 818 C CYS A 408 22.376 7.415 -23.134 1.00 23.14 C ATOM 819 O CYS A 408 22.753 8.494 -23.602 1.00 55.23 O ATOM 820 CB CYS A 408 23.393 7.077 -20.869 1.00 40.55 C ATOM 821 SG CYS A 408 24.667 8.349 -21.073 1.00 75.11 S ATOM 0 H CYS A 408 21.759 5.238 -21.325 1.00 34.51 H new ATOM 0 HA CYS A 408 21.598 8.176 -21.308 1.00 75.41 H new ATOM 0 HB2 CYS A 408 23.147 7.011 -19.809 1.00 40.55 H new ATOM 0 HB3 CYS A 408 23.823 6.118 -21.157 1.00 40.55 H new ATOM 889 N ARG A 414 21.737 5.360 -17.179 1.00 53.22 N ATOM 890 CA ARG A 414 22.014 6.542 -16.407 1.00 73.11 C ATOM 891 C ARG A 414 21.925 6.191 -14.932 1.00 24.44 C ATOM 892 O ARG A 414 21.277 5.174 -14.544 1.00 23.40 O ATOM 893 CB ARG A 414 21.067 7.702 -16.742 1.00 5.15 C ATOM 894 CG ARG A 414 21.116 8.158 -18.183 1.00 32.40 C ATOM 895 CD ARG A 414 20.147 9.294 -18.433 1.00 51.41 C ATOM 896 NE ARG A 414 19.991 9.611 -19.870 1.00 24.41 N ATOM 897 CZ ARG A 414 20.107 10.840 -20.405 1.00 11.01 C ATOM 898 NH1 ARG A 414 20.681 11.816 -19.715 1.00 41.11 N ATOM 899 NH2 ARG A 414 19.723 11.063 -21.654 1.00 4.15 N ATOM 0 HA ARG A 414 23.018 6.885 -16.657 1.00 73.11 H new ATOM 0 HB2 ARG A 414 20.047 7.401 -16.504 1.00 5.15 H new ATOM 0 HB3 ARG A 414 21.308 8.548 -16.098 1.00 5.15 H new ATOM 0 HG2 ARG A 414 22.128 8.479 -18.431 1.00 32.40 H new ATOM 0 HG3 ARG A 414 20.877 7.322 -18.840 1.00 32.40 H new ATOM 0 HD2 ARG A 414 19.174 9.034 -18.016 1.00 51.41 H new ATOM 0 HD3 ARG A 414 20.493 10.183 -17.905 1.00 51.41 H new ATOM 0 HE ARG A 414 19.780 8.839 -20.503 1.00 24.41 H new ATOM 0 HH11 ARG A 414 21.036 11.636 -18.776 1.00 41.11 H new ATOM 0 HH12 ARG A 414 20.767 12.747 -20.123 1.00 41.11 H new ATOM 0 HH21 ARG A 414 19.338 10.302 -22.213 1.00 4.15 H new ATOM 0 HH22 ARG A 414 19.812 11.996 -22.056 1.00 4.15 H new ATOM 913 N SER A 415 22.584 6.963 -14.134 1.00 73.41 N ATOM 914 CA SER A 415 22.616 6.769 -12.722 1.00 14.14 C ATOM 915 C SER A 415 22.719 8.130 -12.055 1.00 22.11 C ATOM 916 O SER A 415 23.123 9.096 -12.685 1.00 10.22 O ATOM 917 CB SER A 415 23.830 5.909 -12.371 1.00 3.13 C ATOM 918 OG SER A 415 23.826 4.682 -13.100 1.00 25.25 O ATOM 0 H SER A 415 23.128 7.765 -14.452 1.00 73.41 H new ATOM 0 HA SER A 415 21.714 6.265 -12.376 1.00 14.14 H new ATOM 0 HB2 SER A 415 24.744 6.461 -12.589 1.00 3.13 H new ATOM 0 HB3 SER A 415 23.832 5.699 -11.301 1.00 3.13 H new ATOM 0 HG SER A 415 24.615 4.154 -12.856 1.00 25.25 H new ATOM 924 N ALA A 416 22.345 8.206 -10.819 1.00 74.33 N ATOM 925 CA ALA A 416 22.403 9.426 -10.071 1.00 21.21 C ATOM 926 C ALA A 416 22.900 9.111 -8.687 1.00 51.42 C ATOM 927 O ALA A 416 22.452 8.148 -8.068 1.00 1.45 O ATOM 928 CB ALA A 416 21.030 10.084 -10.015 1.00 41.11 C ATOM 0 H ALA A 416 21.985 7.412 -10.290 1.00 74.33 H new ATOM 0 HA ALA A 416 23.083 10.127 -10.555 1.00 21.21 H new ATOM 0 HB1 ALA A 416 21.093 11.010 -9.443 1.00 41.11 H new ATOM 0 HB2 ALA A 416 20.691 10.305 -11.027 1.00 41.11 H new ATOM 0 HB3 ALA A 416 20.322 9.408 -9.535 1.00 41.11 H new ATOM 934 N ILE A 417 23.830 9.870 -8.218 1.00 62.05 N ATOM 935 CA ILE A 417 24.382 9.648 -6.916 1.00 13.54 C ATOM 936 C ILE A 417 24.283 10.929 -6.080 1.00 4.32 C ATOM 937 O ILE A 417 24.960 11.920 -6.343 1.00 21.12 O ATOM 938 CB ILE A 417 25.847 9.093 -7.006 1.00 24.22 C ATOM 939 CG1 ILE A 417 26.421 8.789 -5.622 1.00 22.12 C ATOM 940 CG2 ILE A 417 26.759 10.012 -7.803 1.00 60.34 C ATOM 941 CD1 ILE A 417 27.806 8.169 -5.648 1.00 3.15 C ATOM 0 H ILE A 417 24.232 10.661 -8.721 1.00 62.05 H new ATOM 0 HA ILE A 417 23.799 8.880 -6.408 1.00 13.54 H new ATOM 0 HB ILE A 417 25.795 8.150 -7.550 1.00 24.22 H new ATOM 0 HG12 ILE A 417 26.459 9.713 -5.045 1.00 22.12 H new ATOM 0 HG13 ILE A 417 25.743 8.115 -5.099 1.00 22.12 H new ATOM 0 HG21 ILE A 417 27.762 9.587 -7.839 1.00 60.34 H new ATOM 0 HG22 ILE A 417 26.373 10.117 -8.817 1.00 60.34 H new ATOM 0 HG23 ILE A 417 26.796 10.991 -7.326 1.00 60.34 H new ATOM 0 HD11 ILE A 417 28.141 7.984 -4.627 1.00 3.15 H new ATOM 0 HD12 ILE A 417 27.773 7.227 -6.195 1.00 3.15 H new ATOM 0 HD13 ILE A 417 28.500 8.850 -6.140 1.00 3.15 H new ATOM 953 N VAL A 418 23.428 10.913 -5.096 1.00 62.20 N ATOM 954 CA VAL A 418 23.194 12.087 -4.287 1.00 41.41 C ATOM 955 C VAL A 418 24.081 12.069 -3.073 1.00 11.35 C ATOM 956 O VAL A 418 23.947 11.216 -2.199 1.00 50.21 O ATOM 957 CB VAL A 418 21.704 12.232 -3.868 1.00 51.34 C ATOM 958 CG1 VAL A 418 21.504 13.423 -2.947 1.00 23.44 C ATOM 959 CG2 VAL A 418 20.820 12.394 -5.078 1.00 3.10 C ATOM 0 H VAL A 418 22.876 10.097 -4.830 1.00 62.20 H new ATOM 0 HA VAL A 418 23.439 12.954 -4.900 1.00 41.41 H new ATOM 0 HB VAL A 418 21.430 11.321 -3.336 1.00 51.34 H new ATOM 0 HG11 VAL A 418 20.452 13.497 -2.672 1.00 23.44 H new ATOM 0 HG12 VAL A 418 22.106 13.293 -2.048 1.00 23.44 H new ATOM 0 HG13 VAL A 418 21.810 14.335 -3.460 1.00 23.44 H new ATOM 0 HG21 VAL A 418 19.782 12.494 -4.760 1.00 3.10 H new ATOM 0 HG22 VAL A 418 21.118 13.286 -5.629 1.00 3.10 H new ATOM 0 HG23 VAL A 418 20.920 11.520 -5.721 1.00 3.10 H new ATOM 969 N THR A 419 24.975 13.008 -3.031 1.00 62.13 N ATOM 970 CA THR A 419 25.902 13.140 -1.964 1.00 75.00 C ATOM 971 C THR A 419 25.353 14.178 -1.012 1.00 31.12 C ATOM 972 O THR A 419 25.201 15.354 -1.379 1.00 40.23 O ATOM 973 CB THR A 419 27.245 13.620 -2.532 1.00 30.03 C ATOM 974 OG1 THR A 419 27.600 12.755 -3.632 1.00 53.24 O ATOM 975 CG2 THR A 419 28.338 13.553 -1.469 1.00 53.44 C ATOM 0 H THR A 419 25.078 13.717 -3.757 1.00 62.13 H new ATOM 0 HA THR A 419 26.050 12.191 -1.449 1.00 75.00 H new ATOM 0 HB THR A 419 27.151 14.655 -2.862 1.00 30.03 H new ATOM 0 HG1 THR A 419 28.456 13.044 -4.013 1.00 53.24 H new ATOM 0 HG21 THR A 419 29.281 13.898 -1.894 1.00 53.44 H new ATOM 0 HG22 THR A 419 28.066 14.189 -0.627 1.00 53.44 H new ATOM 0 HG23 THR A 419 28.449 12.524 -1.126 1.00 53.44 H new ATOM 983 N VAL A 420 25.022 13.756 0.181 1.00 11.20 N ATOM 984 CA VAL A 420 24.430 14.643 1.128 1.00 32.31 C ATOM 985 C VAL A 420 25.383 14.855 2.293 1.00 73.30 C ATOM 986 O VAL A 420 25.877 13.902 2.885 1.00 22.13 O ATOM 987 CB VAL A 420 23.076 14.099 1.657 1.00 51.01 C ATOM 988 CG1 VAL A 420 22.362 15.150 2.471 1.00 42.13 C ATOM 989 CG2 VAL A 420 22.189 13.612 0.527 1.00 21.41 C ATOM 0 H VAL A 420 25.156 12.801 0.513 1.00 11.20 H new ATOM 0 HA VAL A 420 24.237 15.590 0.624 1.00 32.31 H new ATOM 0 HB VAL A 420 23.294 13.246 2.299 1.00 51.01 H new ATOM 0 HG11 VAL A 420 21.415 14.749 2.833 1.00 42.13 H new ATOM 0 HG12 VAL A 420 22.983 15.437 3.320 1.00 42.13 H new ATOM 0 HG13 VAL A 420 22.172 16.025 1.849 1.00 42.13 H new ATOM 0 HG21 VAL A 420 21.250 13.239 0.936 1.00 21.41 H new ATOM 0 HG22 VAL A 420 21.985 14.436 -0.156 1.00 21.41 H new ATOM 0 HG23 VAL A 420 22.694 12.811 -0.012 1.00 21.41 H new ATOM 999 N GLU A 421 25.635 16.098 2.603 1.00 3.54 N ATOM 1000 CA GLU A 421 26.535 16.465 3.696 1.00 32.30 C ATOM 1001 C GLU A 421 25.737 16.996 4.884 1.00 75.43 C ATOM 1002 O GLU A 421 26.298 17.360 5.921 1.00 11.33 O ATOM 1003 CB GLU A 421 27.475 17.550 3.195 1.00 70.30 C ATOM 1004 CG GLU A 421 26.733 18.775 2.684 1.00 11.21 C ATOM 1005 CD GLU A 421 27.634 19.812 2.120 1.00 33.14 C ATOM 1006 OE1 GLU A 421 28.043 19.669 0.969 1.00 45.40 O ATOM 1007 OE2 GLU A 421 27.922 20.812 2.806 1.00 75.32 O ATOM 0 H GLU A 421 25.229 16.895 2.113 1.00 3.54 H new ATOM 0 HA GLU A 421 27.097 15.589 4.019 1.00 32.30 H new ATOM 0 HB2 GLU A 421 28.145 17.846 4.002 1.00 70.30 H new ATOM 0 HB3 GLU A 421 28.097 17.147 2.396 1.00 70.30 H new ATOM 0 HG2 GLU A 421 26.020 18.467 1.919 1.00 11.21 H new ATOM 0 HG3 GLU A 421 26.156 19.209 3.501 1.00 11.21 H new ATOM 1014 N CYS A 422 24.417 17.020 4.710 1.00 53.42 N ATOM 1015 CA CYS A 422 23.471 17.578 5.679 1.00 34.33 C ATOM 1016 C CYS A 422 23.589 19.119 5.723 1.00 5.15 C ATOM 1017 O CYS A 422 24.612 19.687 5.350 1.00 51.21 O ATOM 1018 CB CYS A 422 23.620 16.945 7.088 1.00 52.14 C ATOM 1019 SG CYS A 422 22.395 17.543 8.301 1.00 32.24 S ATOM 0 H CYS A 422 23.965 16.645 3.876 1.00 53.42 H new ATOM 0 HA CYS A 422 22.466 17.323 5.342 1.00 34.33 H new ATOM 0 HB2 CYS A 422 23.531 15.862 7.000 1.00 52.14 H new ATOM 0 HB3 CYS A 422 24.621 17.153 7.465 1.00 52.14 H new ATOM 0 HG CYS A 422 21.212 17.539 7.761 1.00 32.24 H new ATOM 1024 N GLY A 423 22.537 19.779 6.127 1.00 70.31 N ATOM 1025 CA GLY A 423 22.542 21.221 6.169 1.00 72.12 C ATOM 1026 C GLY A 423 21.329 21.757 6.878 1.00 74.35 C ATOM 1027 O GLY A 423 20.712 21.049 7.664 1.00 31.12 O ATOM 0 H GLY A 423 21.666 19.345 6.432 1.00 70.31 H new ATOM 0 HA2 GLY A 423 23.443 21.568 6.675 1.00 72.12 H new ATOM 0 HA3 GLY A 423 22.575 21.615 5.153 1.00 72.12 H new ATOM 1031 N VAL A 424 20.979 22.984 6.595 1.00 63.22 N ATOM 1032 CA VAL A 424 19.830 23.622 7.219 1.00 23.11 C ATOM 1033 C VAL A 424 18.555 23.327 6.432 1.00 41.43 C ATOM 1034 O VAL A 424 17.490 23.150 7.003 1.00 72.24 O ATOM 1035 CB VAL A 424 20.031 25.157 7.346 1.00 51.15 C ATOM 1036 CG1 VAL A 424 18.833 25.818 8.015 1.00 34.02 C ATOM 1037 CG2 VAL A 424 21.300 25.463 8.122 1.00 75.21 C ATOM 0 H VAL A 424 21.475 23.575 5.928 1.00 63.22 H new ATOM 0 HA VAL A 424 19.732 23.207 8.222 1.00 23.11 H new ATOM 0 HB VAL A 424 20.124 25.566 6.340 1.00 51.15 H new ATOM 0 HG11 VAL A 424 19.004 26.892 8.089 1.00 34.02 H new ATOM 0 HG12 VAL A 424 17.937 25.634 7.422 1.00 34.02 H new ATOM 0 HG13 VAL A 424 18.699 25.402 9.014 1.00 34.02 H new ATOM 0 HG21 VAL A 424 21.426 26.543 8.202 1.00 75.21 H new ATOM 0 HG22 VAL A 424 21.229 25.031 9.120 1.00 75.21 H new ATOM 0 HG23 VAL A 424 22.157 25.035 7.602 1.00 75.21 H new ATOM 1047 N GLU A 425 18.679 23.235 5.136 1.00 13.33 N ATOM 1048 CA GLU A 425 17.544 22.991 4.281 1.00 23.10 C ATOM 1049 C GLU A 425 17.995 22.112 3.134 1.00 4.14 C ATOM 1050 O GLU A 425 19.200 22.011 2.874 1.00 41.31 O ATOM 1051 CB GLU A 425 16.977 24.333 3.765 1.00 71.14 C ATOM 1052 CG GLU A 425 15.732 24.219 2.903 1.00 24.14 C ATOM 1053 CD GLU A 425 14.583 23.586 3.649 1.00 60.10 C ATOM 1054 OE1 GLU A 425 14.521 22.341 3.716 1.00 25.23 O ATOM 1055 OE2 GLU A 425 13.720 24.322 4.173 1.00 14.43 O ATOM 0 H GLU A 425 19.566 23.326 4.641 1.00 13.33 H new ATOM 0 HA GLU A 425 16.750 22.486 4.832 1.00 23.10 H new ATOM 0 HB2 GLU A 425 16.749 24.967 4.622 1.00 71.14 H new ATOM 0 HB3 GLU A 425 17.752 24.840 3.191 1.00 71.14 H new ATOM 0 HG2 GLU A 425 15.438 25.210 2.558 1.00 24.14 H new ATOM 0 HG3 GLU A 425 15.958 23.627 2.016 1.00 24.14 H new ATOM 1062 N ASN A 426 17.061 21.462 2.483 1.00 21.21 N ATOM 1063 CA ASN A 426 17.387 20.621 1.357 1.00 25.02 C ATOM 1064 C ASN A 426 17.423 21.464 0.102 1.00 43.21 C ATOM 1065 O ASN A 426 16.520 22.277 -0.140 1.00 34.34 O ATOM 1066 CB ASN A 426 16.397 19.444 1.203 1.00 50.43 C ATOM 1067 CG ASN A 426 14.997 19.852 0.767 1.00 34.43 C ATOM 1068 OD1 ASN A 426 14.686 19.863 -0.417 1.00 14.20 O ATOM 1069 ND2 ASN A 426 14.167 20.215 1.690 1.00 2.25 N ATOM 0 H ASN A 426 16.068 21.499 2.714 1.00 21.21 H new ATOM 0 HA ASN A 426 18.368 20.180 1.531 1.00 25.02 H new ATOM 0 HB2 ASN A 426 16.800 18.739 0.476 1.00 50.43 H new ATOM 0 HB3 ASN A 426 16.329 18.916 2.154 1.00 50.43 H new ATOM 0 HD21 ASN A 426 13.227 20.520 1.439 1.00 2.25 H new ATOM 0 HD22 ASN A 426 14.453 20.196 2.669 1.00 2.25 H new ATOM 1076 N GLU A 427 18.464 21.307 -0.671 1.00 1.23 N ATOM 1077 CA GLU A 427 18.625 22.063 -1.878 1.00 45.12 C ATOM 1078 C GLU A 427 19.633 21.379 -2.767 1.00 60.35 C ATOM 1079 O GLU A 427 20.622 20.804 -2.276 1.00 45.11 O ATOM 1080 CB GLU A 427 19.091 23.493 -1.554 1.00 13.23 C ATOM 1081 CG GLU A 427 19.172 24.420 -2.759 1.00 53.40 C ATOM 1082 CD GLU A 427 19.594 25.812 -2.382 1.00 52.43 C ATOM 1083 OE1 GLU A 427 18.726 26.615 -1.955 1.00 14.23 O ATOM 1084 OE2 GLU A 427 20.786 26.139 -2.500 1.00 51.25 O ATOM 0 H GLU A 427 19.222 20.652 -0.480 1.00 1.23 H new ATOM 0 HA GLU A 427 17.667 22.121 -2.395 1.00 45.12 H new ATOM 0 HB2 GLU A 427 18.409 23.927 -0.823 1.00 13.23 H new ATOM 0 HB3 GLU A 427 20.073 23.444 -1.083 1.00 13.23 H new ATOM 0 HG2 GLU A 427 19.879 24.012 -3.481 1.00 53.40 H new ATOM 0 HG3 GLU A 427 18.200 24.458 -3.251 1.00 53.40 H new ATOM 1091 N ILE A 428 19.368 21.390 -4.046 1.00 22.33 N ATOM 1092 CA ILE A 428 20.282 20.866 -5.016 1.00 2.54 C ATOM 1093 C ILE A 428 21.300 21.940 -5.342 1.00 31.11 C ATOM 1094 O ILE A 428 20.969 22.970 -5.942 1.00 22.21 O ATOM 1095 CB ILE A 428 19.554 20.440 -6.302 1.00 50.14 C ATOM 1096 CG1 ILE A 428 18.469 19.408 -5.984 1.00 64.11 C ATOM 1097 CG2 ILE A 428 20.545 19.892 -7.324 1.00 21.50 C ATOM 1098 CD1 ILE A 428 17.654 18.985 -7.184 1.00 14.05 C ATOM 0 H ILE A 428 18.507 21.765 -4.443 1.00 22.33 H new ATOM 0 HA ILE A 428 20.769 19.983 -4.602 1.00 2.54 H new ATOM 0 HB ILE A 428 19.074 21.317 -6.736 1.00 50.14 H new ATOM 0 HG12 ILE A 428 18.937 18.526 -5.546 1.00 64.11 H new ATOM 0 HG13 ILE A 428 17.799 19.821 -5.230 1.00 64.11 H new ATOM 0 HG21 ILE A 428 20.010 19.596 -8.227 1.00 21.50 H new ATOM 0 HG22 ILE A 428 21.276 20.662 -7.571 1.00 21.50 H new ATOM 0 HG23 ILE A 428 21.058 19.026 -6.906 1.00 21.50 H new ATOM 0 HD11 ILE A 428 16.907 18.253 -6.877 1.00 14.05 H new ATOM 0 HD12 ILE A 428 17.155 19.855 -7.610 1.00 14.05 H new ATOM 0 HD13 ILE A 428 18.311 18.541 -7.932 1.00 14.05 H new ATOM 1110 N VAL A 429 22.515 21.713 -4.932 1.00 0.11 N ATOM 1111 CA VAL A 429 23.568 22.667 -5.143 1.00 24.41 C ATOM 1112 C VAL A 429 24.070 22.583 -6.579 1.00 74.42 C ATOM 1113 O VAL A 429 24.121 23.586 -7.291 1.00 54.02 O ATOM 1114 CB VAL A 429 24.742 22.428 -4.164 1.00 52.41 C ATOM 1115 CG1 VAL A 429 25.834 23.462 -4.362 1.00 13.12 C ATOM 1116 CG2 VAL A 429 24.256 22.427 -2.717 1.00 54.12 C ATOM 0 H VAL A 429 22.804 20.865 -4.444 1.00 0.11 H new ATOM 0 HA VAL A 429 23.163 23.662 -4.957 1.00 24.41 H new ATOM 0 HB VAL A 429 25.162 21.446 -4.381 1.00 52.41 H new ATOM 0 HG11 VAL A 429 26.647 23.271 -3.662 1.00 13.12 H new ATOM 0 HG12 VAL A 429 26.212 23.401 -5.382 1.00 13.12 H new ATOM 0 HG13 VAL A 429 25.428 24.458 -4.184 1.00 13.12 H new ATOM 0 HG21 VAL A 429 25.101 22.257 -2.050 1.00 54.12 H new ATOM 0 HG22 VAL A 429 23.799 23.389 -2.486 1.00 54.12 H new ATOM 0 HG23 VAL A 429 23.521 21.634 -2.581 1.00 54.12 H new ATOM 1126 N SER A 430 24.435 21.389 -6.999 1.00 23.43 N ATOM 1127 CA SER A 430 24.944 21.154 -8.339 1.00 13.32 C ATOM 1128 C SER A 430 24.762 19.692 -8.725 1.00 60.02 C ATOM 1129 O SER A 430 24.557 18.833 -7.850 1.00 2.23 O ATOM 1130 CB SER A 430 26.437 21.530 -8.427 1.00 70.03 C ATOM 1131 OG SER A 430 26.647 22.918 -8.173 1.00 51.02 O ATOM 0 H SER A 430 24.388 20.550 -6.421 1.00 23.43 H new ATOM 0 HA SER A 430 24.381 21.781 -9.031 1.00 13.32 H new ATOM 0 HB2 SER A 430 27.004 20.939 -7.708 1.00 70.03 H new ATOM 0 HB3 SER A 430 26.818 21.279 -9.417 1.00 70.03 H new ATOM 0 HG SER A 430 25.788 23.349 -7.982 1.00 51.02 H new ATOM 1137 N VAL A 431 24.814 19.427 -10.015 1.00 73.40 N ATOM 1138 CA VAL A 431 24.740 18.087 -10.563 1.00 42.20 C ATOM 1139 C VAL A 431 25.747 18.002 -11.696 1.00 55.34 C ATOM 1140 O VAL A 431 25.761 18.866 -12.574 1.00 72.41 O ATOM 1141 CB VAL A 431 23.336 17.725 -11.131 1.00 30.31 C ATOM 1142 CG1 VAL A 431 23.329 16.286 -11.628 1.00 22.14 C ATOM 1143 CG2 VAL A 431 22.235 17.932 -10.105 1.00 73.31 C ATOM 0 H VAL A 431 24.911 20.152 -10.726 1.00 73.40 H new ATOM 0 HA VAL A 431 24.947 17.386 -9.755 1.00 42.20 H new ATOM 0 HB VAL A 431 23.135 18.398 -11.964 1.00 30.31 H new ATOM 0 HG11 VAL A 431 22.343 16.042 -12.023 1.00 22.14 H new ATOM 0 HG12 VAL A 431 24.074 16.169 -12.415 1.00 22.14 H new ATOM 0 HG13 VAL A 431 23.565 15.615 -10.802 1.00 22.14 H new ATOM 0 HG21 VAL A 431 21.273 17.667 -10.545 1.00 73.31 H new ATOM 0 HG22 VAL A 431 22.423 17.300 -9.237 1.00 73.31 H new ATOM 0 HG23 VAL A 431 22.217 18.977 -9.796 1.00 73.31 H new ATOM 1153 N LEU A 432 26.582 16.997 -11.682 1.00 55.21 N ATOM 1154 CA LEU A 432 27.607 16.873 -12.692 1.00 52.03 C ATOM 1155 C LEU A 432 27.716 15.453 -13.228 1.00 4.11 C ATOM 1156 O LEU A 432 27.816 14.487 -12.461 1.00 73.44 O ATOM 1157 CB LEU A 432 28.964 17.319 -12.121 1.00 73.32 C ATOM 1158 CG LEU A 432 30.171 17.215 -13.066 1.00 42.41 C ATOM 1159 CD1 LEU A 432 29.998 18.114 -14.281 1.00 71.21 C ATOM 1160 CD2 LEU A 432 31.455 17.547 -12.328 1.00 34.20 C ATOM 0 H LEU A 432 26.575 16.252 -10.985 1.00 55.21 H new ATOM 0 HA LEU A 432 27.324 17.518 -13.524 1.00 52.03 H new ATOM 0 HB2 LEU A 432 28.874 18.355 -11.795 1.00 73.32 H new ATOM 0 HB3 LEU A 432 29.173 16.723 -11.233 1.00 73.32 H new ATOM 0 HG LEU A 432 30.233 16.186 -13.421 1.00 42.41 H new ATOM 0 HD11 LEU A 432 30.868 18.019 -14.931 1.00 71.21 H new ATOM 0 HD12 LEU A 432 29.102 17.819 -14.828 1.00 71.21 H new ATOM 0 HD13 LEU A 432 29.900 19.150 -13.956 1.00 71.21 H new ATOM 0 HD21 LEU A 432 32.299 17.468 -13.013 1.00 34.20 H new ATOM 0 HD22 LEU A 432 31.398 18.563 -11.938 1.00 34.20 H new ATOM 0 HD23 LEU A 432 31.591 16.848 -11.502 1.00 34.20 H new ATOM 1172 N GLU A 433 27.687 15.328 -14.534 1.00 14.44 N ATOM 1173 CA GLU A 433 27.925 14.062 -15.187 1.00 23.43 C ATOM 1174 C GLU A 433 29.433 13.852 -15.233 1.00 24.40 C ATOM 1175 O GLU A 433 30.112 14.312 -16.148 1.00 10.41 O ATOM 1176 CB GLU A 433 27.332 14.062 -16.612 1.00 3.12 C ATOM 1177 CG GLU A 433 27.508 12.757 -17.397 1.00 12.25 C ATOM 1178 CD GLU A 433 26.952 12.860 -18.803 1.00 72.55 C ATOM 1179 OE1 GLU A 433 25.731 12.688 -18.998 1.00 14.25 O ATOM 1180 OE2 GLU A 433 27.734 13.123 -19.739 1.00 4.41 O ATOM 0 H GLU A 433 27.498 16.100 -15.173 1.00 14.44 H new ATOM 0 HA GLU A 433 27.442 13.253 -14.638 1.00 23.43 H new ATOM 0 HB2 GLU A 433 26.267 14.285 -16.544 1.00 3.12 H new ATOM 0 HB3 GLU A 433 27.792 14.872 -17.179 1.00 3.12 H new ATOM 0 HG2 GLU A 433 28.567 12.502 -17.444 1.00 12.25 H new ATOM 0 HG3 GLU A 433 27.008 11.946 -16.868 1.00 12.25 H new ATOM 1187 N ALA A 434 29.960 13.251 -14.202 1.00 24.01 N ATOM 1188 CA ALA A 434 31.390 13.026 -14.120 1.00 45.45 C ATOM 1189 C ALA A 434 31.705 11.568 -14.288 1.00 72.25 C ATOM 1190 O ALA A 434 32.756 11.207 -14.811 1.00 13.43 O ATOM 1191 CB ALA A 434 31.946 13.546 -12.809 1.00 43.12 C ATOM 0 H ALA A 434 29.427 12.906 -13.404 1.00 24.01 H new ATOM 0 HA ALA A 434 31.867 13.577 -14.931 1.00 45.45 H new ATOM 0 HB1 ALA A 434 33.020 13.365 -12.772 1.00 43.12 H new ATOM 0 HB2 ALA A 434 31.755 14.616 -12.732 1.00 43.12 H new ATOM 0 HB3 ALA A 434 31.463 13.031 -11.979 1.00 43.12 H new ATOM 1197 N GLN A 435 30.800 10.735 -13.849 1.00 65.13 N ATOM 1198 CA GLN A 435 30.975 9.322 -13.968 1.00 25.12 C ATOM 1199 C GLN A 435 30.135 8.811 -15.112 1.00 1.02 C ATOM 1200 O GLN A 435 29.281 9.536 -15.612 1.00 74.25 O ATOM 1201 CB GLN A 435 30.610 8.604 -12.668 1.00 35.32 C ATOM 1202 CG GLN A 435 31.501 8.939 -11.490 1.00 74.42 C ATOM 1203 CD GLN A 435 31.102 8.188 -10.235 1.00 31.55 C ATOM 1204 OE1 GLN A 435 31.579 7.082 -9.968 1.00 73.13 O ATOM 1205 NE2 GLN A 435 30.225 8.766 -9.462 1.00 20.21 N ATOM 0 H GLN A 435 29.928 11.019 -13.402 1.00 65.13 H new ATOM 0 HA GLN A 435 32.026 9.115 -14.168 1.00 25.12 H new ATOM 0 HB2 GLN A 435 29.580 8.850 -12.409 1.00 35.32 H new ATOM 0 HB3 GLN A 435 30.647 7.528 -12.840 1.00 35.32 H new ATOM 0 HG2 GLN A 435 32.535 8.701 -11.740 1.00 74.42 H new ATOM 0 HG3 GLN A 435 31.458 10.011 -11.298 1.00 74.42 H new ATOM 0 HE21 GLN A 435 29.850 9.681 -9.711 1.00 20.21 H new ATOM 0 HE22 GLN A 435 29.914 8.303 -8.608 1.00 20.21 H new ATOM 1214 N LYS A 436 30.393 7.576 -15.503 1.00 74.34 N ATOM 1215 CA LYS A 436 29.711 6.858 -16.604 1.00 62.44 C ATOM 1216 C LYS A 436 28.172 7.013 -16.669 1.00 43.53 C ATOM 1217 O LYS A 436 27.421 6.169 -16.185 1.00 22.43 O ATOM 1218 CB LYS A 436 30.177 5.382 -16.640 1.00 43.22 C ATOM 1219 CG LYS A 436 30.334 4.682 -15.245 1.00 70.25 C ATOM 1220 CD LYS A 436 29.032 4.548 -14.445 1.00 73.45 C ATOM 1221 CE LYS A 436 29.260 3.871 -13.097 1.00 53.43 C ATOM 1222 NZ LYS A 436 30.104 4.677 -12.181 1.00 52.52 N ATOM 0 H LYS A 436 31.111 7.008 -15.053 1.00 74.34 H new ATOM 0 HA LYS A 436 30.025 7.356 -17.521 1.00 62.44 H new ATOM 0 HB2 LYS A 436 29.464 4.810 -17.234 1.00 43.22 H new ATOM 0 HB3 LYS A 436 31.135 5.335 -17.159 1.00 43.22 H new ATOM 0 HG2 LYS A 436 30.755 3.688 -15.398 1.00 70.25 H new ATOM 0 HG3 LYS A 436 31.054 5.245 -14.650 1.00 70.25 H new ATOM 0 HD2 LYS A 436 28.600 5.536 -14.287 1.00 73.45 H new ATOM 0 HD3 LYS A 436 28.309 3.973 -15.023 1.00 73.45 H new ATOM 0 HE2 LYS A 436 28.297 3.682 -12.623 1.00 53.43 H new ATOM 0 HE3 LYS A 436 29.731 2.901 -13.258 1.00 53.43 H new ATOM 0 HZ1 LYS A 436 30.169 4.200 -11.259 1.00 52.52 H new ATOM 0 HZ2 LYS A 436 31.056 4.779 -12.586 1.00 52.52 H new ATOM 0 HZ3 LYS A 436 29.679 5.618 -12.055 1.00 52.52 H new ATOM 1236 N CYS A 437 27.726 8.127 -17.264 1.00 21.22 N ATOM 1237 CA CYS A 437 26.308 8.486 -17.341 1.00 2.12 C ATOM 1238 C CYS A 437 25.695 8.515 -15.939 1.00 14.40 C ATOM 1239 O CYS A 437 24.484 8.381 -15.753 1.00 11.11 O ATOM 1240 CB CYS A 437 25.573 7.530 -18.283 1.00 35.40 C ATOM 1241 SG CYS A 437 26.214 7.591 -20.004 1.00 15.32 S ATOM 0 H CYS A 437 28.344 8.807 -17.707 1.00 21.22 H new ATOM 0 HA CYS A 437 26.205 9.488 -17.757 1.00 2.12 H new ATOM 0 HB2 CYS A 437 25.663 6.512 -17.903 1.00 35.40 H new ATOM 0 HB3 CYS A 437 24.511 7.776 -18.287 1.00 35.40 H new ATOM 1246 N GLU A 438 26.555 8.755 -14.968 1.00 54.33 N ATOM 1247 CA GLU A 438 26.191 8.801 -13.605 1.00 3.23 C ATOM 1248 C GLU A 438 26.364 10.215 -13.106 1.00 3.11 C ATOM 1249 O GLU A 438 27.468 10.796 -13.143 1.00 50.41 O ATOM 1250 CB GLU A 438 26.999 7.779 -12.816 1.00 53.10 C ATOM 1251 CG GLU A 438 26.734 7.764 -11.327 1.00 51.11 C ATOM 1252 CD GLU A 438 27.415 6.604 -10.656 1.00 64.05 C ATOM 1253 OE1 GLU A 438 28.612 6.398 -10.887 1.00 50.44 O ATOM 1254 OE2 GLU A 438 26.768 5.893 -9.872 1.00 32.12 O ATOM 0 H GLU A 438 27.547 8.925 -15.132 1.00 54.33 H new ATOM 0 HA GLU A 438 25.144 8.531 -13.469 1.00 3.23 H new ATOM 0 HB2 GLU A 438 26.791 6.787 -13.216 1.00 53.10 H new ATOM 0 HB3 GLU A 438 28.059 7.973 -12.979 1.00 53.10 H new ATOM 0 HG2 GLU A 438 27.083 8.697 -10.885 1.00 51.11 H new ATOM 0 HG3 GLU A 438 25.660 7.709 -11.148 1.00 51.11 H new ATOM 1261 N TYR A 439 25.281 10.755 -12.663 1.00 12.51 N ATOM 1262 CA TYR A 439 25.172 12.127 -12.315 1.00 52.45 C ATOM 1263 C TYR A 439 25.393 12.347 -10.840 1.00 33.21 C ATOM 1264 O TYR A 439 24.666 11.813 -10.000 1.00 73.11 O ATOM 1265 CB TYR A 439 23.794 12.635 -12.768 1.00 4.24 C ATOM 1266 CG TYR A 439 23.607 12.514 -14.264 1.00 34.43 C ATOM 1267 CD1 TYR A 439 23.139 11.330 -14.842 1.00 22.32 C ATOM 1268 CD2 TYR A 439 23.918 13.563 -15.101 1.00 21.44 C ATOM 1269 CE1 TYR A 439 22.994 11.213 -16.198 1.00 52.31 C ATOM 1270 CE2 TYR A 439 23.769 13.445 -16.461 1.00 62.21 C ATOM 1271 CZ TYR A 439 23.306 12.267 -17.001 1.00 65.50 C ATOM 1272 OH TYR A 439 23.173 12.144 -18.352 1.00 13.12 O ATOM 0 H TYR A 439 24.416 10.232 -12.529 1.00 12.51 H new ATOM 0 HA TYR A 439 25.952 12.695 -12.823 1.00 52.45 H new ATOM 0 HB2 TYR A 439 23.014 12.069 -12.259 1.00 4.24 H new ATOM 0 HB3 TYR A 439 23.677 13.677 -12.472 1.00 4.24 H new ATOM 0 HD1 TYR A 439 22.888 10.493 -14.207 1.00 22.32 H new ATOM 0 HD2 TYR A 439 24.283 14.489 -14.683 1.00 21.44 H new ATOM 0 HE1 TYR A 439 22.634 10.290 -16.628 1.00 52.31 H new ATOM 0 HE2 TYR A 439 24.015 14.276 -17.106 1.00 62.21 H new ATOM 0 HH TYR A 439 23.993 12.452 -18.791 1.00 13.12 H new ATOM 1282 N LEU A 440 26.412 13.117 -10.538 1.00 32.11 N ATOM 1283 CA LEU A 440 26.757 13.460 -9.176 1.00 70.11 C ATOM 1284 C LEU A 440 25.810 14.535 -8.717 1.00 23.42 C ATOM 1285 O LEU A 440 25.772 15.603 -9.308 1.00 43.34 O ATOM 1286 CB LEU A 440 28.176 14.052 -9.107 1.00 70.02 C ATOM 1287 CG LEU A 440 29.336 13.215 -9.639 1.00 71.43 C ATOM 1288 CD1 LEU A 440 30.631 13.996 -9.515 1.00 51.41 C ATOM 1289 CD2 LEU A 440 29.448 11.917 -8.887 1.00 20.45 C ATOM 0 H LEU A 440 27.031 13.527 -11.237 1.00 32.11 H new ATOM 0 HA LEU A 440 26.701 12.563 -8.560 1.00 70.11 H new ATOM 0 HB2 LEU A 440 28.169 14.996 -9.652 1.00 70.02 H new ATOM 0 HB3 LEU A 440 28.387 14.288 -8.064 1.00 70.02 H new ATOM 0 HG LEU A 440 29.147 12.989 -10.688 1.00 71.43 H new ATOM 0 HD11 LEU A 440 31.456 13.395 -9.896 1.00 51.41 H new ATOM 0 HD12 LEU A 440 30.557 14.918 -10.092 1.00 51.41 H new ATOM 0 HD13 LEU A 440 30.811 14.238 -8.468 1.00 51.41 H new ATOM 0 HD21 LEU A 440 30.282 11.337 -9.284 1.00 20.45 H new ATOM 0 HD22 LEU A 440 29.619 12.122 -7.830 1.00 20.45 H new ATOM 0 HD23 LEU A 440 28.524 11.349 -9.001 1.00 20.45 H new ATOM 1301 N ILE A 441 25.054 14.270 -7.706 1.00 74.43 N ATOM 1302 CA ILE A 441 24.144 15.250 -7.193 1.00 31.13 C ATOM 1303 C ILE A 441 24.665 15.709 -5.847 1.00 32.01 C ATOM 1304 O ILE A 441 24.906 14.899 -4.953 1.00 61.24 O ATOM 1305 CB ILE A 441 22.716 14.682 -7.052 1.00 0.03 C ATOM 1306 CG1 ILE A 441 22.309 13.996 -8.362 1.00 22.23 C ATOM 1307 CG2 ILE A 441 21.731 15.797 -6.691 1.00 52.34 C ATOM 1308 CD1 ILE A 441 20.907 13.448 -8.387 1.00 63.13 C ATOM 0 H ILE A 441 25.045 13.378 -7.212 1.00 74.43 H new ATOM 0 HA ILE A 441 24.084 16.087 -7.888 1.00 31.13 H new ATOM 0 HB ILE A 441 22.697 13.946 -6.248 1.00 0.03 H new ATOM 0 HG12 ILE A 441 22.418 14.711 -9.177 1.00 22.23 H new ATOM 0 HG13 ILE A 441 23.005 13.180 -8.558 1.00 22.23 H new ATOM 0 HG21 ILE A 441 20.729 15.380 -6.595 1.00 52.34 H new ATOM 0 HG22 ILE A 441 22.027 16.252 -5.746 1.00 52.34 H new ATOM 0 HG23 ILE A 441 21.736 16.554 -7.475 1.00 52.34 H new ATOM 0 HD11 ILE A 441 20.715 12.983 -9.354 1.00 63.13 H new ATOM 0 HD12 ILE A 441 20.793 12.705 -7.598 1.00 63.13 H new ATOM 0 HD13 ILE A 441 20.196 14.259 -8.227 1.00 63.13 H new ATOM 1320 N LYS A 442 24.859 16.978 -5.716 1.00 35.10 N ATOM 1321 CA LYS A 442 25.455 17.548 -4.538 1.00 0.51 C ATOM 1322 C LYS A 442 24.335 18.246 -3.746 1.00 71.21 C ATOM 1323 O LYS A 442 23.739 19.216 -4.238 1.00 23.34 O ATOM 1324 CB LYS A 442 26.518 18.546 -5.045 1.00 14.33 C ATOM 1325 CG LYS A 442 27.647 18.953 -4.093 1.00 33.31 C ATOM 1326 CD LYS A 442 27.209 19.778 -2.909 1.00 54.05 C ATOM 1327 CE LYS A 442 28.440 20.318 -2.196 1.00 13.13 C ATOM 1328 NZ LYS A 442 28.106 21.207 -1.077 1.00 0.43 N ATOM 0 H LYS A 442 24.608 17.664 -6.428 1.00 35.10 H new ATOM 0 HA LYS A 442 25.926 16.817 -3.881 1.00 0.51 H new ATOM 0 HB2 LYS A 442 26.974 18.120 -5.938 1.00 14.33 H new ATOM 0 HB3 LYS A 442 26.000 19.454 -5.354 1.00 14.33 H new ATOM 0 HG2 LYS A 442 28.138 18.051 -3.728 1.00 33.31 H new ATOM 0 HG3 LYS A 442 28.392 19.516 -4.655 1.00 33.31 H new ATOM 0 HD2 LYS A 442 26.574 20.601 -3.238 1.00 54.05 H new ATOM 0 HD3 LYS A 442 26.615 19.170 -2.226 1.00 54.05 H new ATOM 0 HE2 LYS A 442 29.035 19.483 -1.826 1.00 13.13 H new ATOM 0 HE3 LYS A 442 29.060 20.859 -2.911 1.00 13.13 H new ATOM 0 HZ1 LYS A 442 28.967 21.689 -0.748 1.00 0.43 H new ATOM 0 HZ2 LYS A 442 27.411 21.914 -1.391 1.00 0.43 H new ATOM 0 HZ3 LYS A 442 27.703 20.648 -0.298 1.00 0.43 H new ATOM 1342 N MET A 443 24.032 17.747 -2.545 1.00 24.32 N ATOM 1343 CA MET A 443 22.915 18.255 -1.762 1.00 70.04 C ATOM 1344 C MET A 443 23.223 18.282 -0.295 1.00 45.55 C ATOM 1345 O MET A 443 24.286 17.848 0.160 1.00 31.01 O ATOM 1346 CB MET A 443 21.636 17.406 -1.943 1.00 41.34 C ATOM 1347 CG MET A 443 20.956 17.503 -3.285 1.00 54.41 C ATOM 1348 SD MET A 443 19.437 16.520 -3.361 1.00 11.41 S ATOM 1349 CE MET A 443 18.469 17.260 -2.032 1.00 1.03 C ATOM 0 H MET A 443 24.549 16.990 -2.097 1.00 24.32 H new ATOM 0 HA MET A 443 22.748 19.266 -2.134 1.00 70.04 H new ATOM 0 HB2 MET A 443 21.890 16.361 -1.763 1.00 41.34 H new ATOM 0 HB3 MET A 443 20.920 17.697 -1.174 1.00 41.34 H new ATOM 0 HG2 MET A 443 20.721 18.546 -3.496 1.00 54.41 H new ATOM 0 HG3 MET A 443 21.642 17.167 -4.062 1.00 54.41 H new ATOM 0 HE1 MET A 443 17.419 16.995 -2.156 1.00 1.03 H new ATOM 0 HE2 MET A 443 18.826 16.888 -1.071 1.00 1.03 H new ATOM 0 HE3 MET A 443 18.576 18.344 -2.064 1.00 1.03 H new ATOM 1359 N LYS A 444 22.269 18.779 0.433 1.00 54.20 N ATOM 1360 CA LYS A 444 22.293 18.852 1.847 1.00 51.41 C ATOM 1361 C LYS A 444 20.872 18.929 2.338 1.00 75.32 C ATOM 1362 O LYS A 444 19.987 19.266 1.565 1.00 3.33 O ATOM 1363 CB LYS A 444 23.144 20.027 2.315 1.00 73.41 C ATOM 1364 CG LYS A 444 22.785 21.366 1.732 1.00 54.30 C ATOM 1365 CD LYS A 444 23.877 22.329 2.069 1.00 62.12 C ATOM 1366 CE LYS A 444 23.554 23.750 1.627 1.00 45.50 C ATOM 1367 NZ LYS A 444 24.650 24.690 1.967 1.00 40.31 N ATOM 0 H LYS A 444 21.414 19.161 0.028 1.00 54.20 H new ATOM 0 HA LYS A 444 22.758 17.961 2.269 1.00 51.41 H new ATOM 0 HB2 LYS A 444 23.073 20.093 3.401 1.00 73.41 H new ATOM 0 HB3 LYS A 444 24.186 19.815 2.076 1.00 73.41 H new ATOM 0 HG2 LYS A 444 22.665 21.290 0.651 1.00 54.30 H new ATOM 0 HG3 LYS A 444 21.834 21.714 2.135 1.00 54.30 H new ATOM 0 HD2 LYS A 444 24.050 22.316 3.145 1.00 62.12 H new ATOM 0 HD3 LYS A 444 24.803 22.005 1.594 1.00 62.12 H new ATOM 0 HE2 LYS A 444 23.381 23.766 0.551 1.00 45.50 H new ATOM 0 HE3 LYS A 444 22.631 24.079 2.104 1.00 45.50 H new ATOM 0 HZ1 LYS A 444 24.396 25.648 1.652 1.00 40.31 H new ATOM 0 HZ2 LYS A 444 24.798 24.692 2.996 1.00 40.31 H new ATOM 0 HZ3 LYS A 444 25.525 24.390 1.492 1.00 40.31 H new ATOM 1381 N SER A 445 20.662 18.577 3.587 1.00 12.13 N ATOM 1382 CA SER A 445 19.346 18.535 4.201 1.00 43.01 C ATOM 1383 C SER A 445 19.526 18.243 5.680 1.00 32.41 C ATOM 1384 O SER A 445 20.400 17.462 6.033 1.00 52.22 O ATOM 1385 CB SER A 445 18.500 17.412 3.552 1.00 75.11 C ATOM 1386 OG SER A 445 17.244 17.263 4.193 1.00 70.34 O ATOM 0 H SER A 445 21.414 18.306 4.220 1.00 12.13 H new ATOM 0 HA SER A 445 18.834 19.487 4.059 1.00 43.01 H new ATOM 0 HB2 SER A 445 18.345 17.637 2.497 1.00 75.11 H new ATOM 0 HB3 SER A 445 19.047 16.470 3.600 1.00 75.11 H new ATOM 0 HG SER A 445 16.737 16.547 3.756 1.00 70.34 H new ATOM 1392 N PRO A 446 18.735 18.874 6.566 1.00 21.35 N ATOM 1393 CA PRO A 446 18.813 18.634 8.018 1.00 31.13 C ATOM 1394 C PRO A 446 18.384 17.218 8.377 1.00 34.24 C ATOM 1395 O PRO A 446 18.866 16.638 9.352 1.00 61.11 O ATOM 1396 CB PRO A 446 17.825 19.648 8.608 1.00 0.54 C ATOM 1397 CG PRO A 446 16.893 19.951 7.494 1.00 75.45 C ATOM 1398 CD PRO A 446 17.716 19.886 6.242 1.00 24.43 C ATOM 0 HA PRO A 446 19.829 18.744 8.397 1.00 31.13 H new ATOM 0 HB2 PRO A 446 17.296 19.233 9.466 1.00 0.54 H new ATOM 0 HB3 PRO A 446 18.337 20.546 8.953 1.00 0.54 H new ATOM 0 HG2 PRO A 446 16.075 19.231 7.462 1.00 75.45 H new ATOM 0 HG3 PRO A 446 16.445 20.937 7.616 1.00 75.45 H new ATOM 0 HD2 PRO A 446 17.117 19.593 5.380 1.00 24.43 H new ATOM 0 HD3 PRO A 446 18.166 20.850 6.005 1.00 24.43 H new