USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 543 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 22 SER OG : rot -83:sc= -0.149 USER MOD Set 1.2: A 23 LYS NZ :NH3+ 144:sc= -2.26 (180deg=-4.2!) USER MOD Single : A 16 CYS SG : rot -171:sc= -9.48! USER MOD Single : A 19 TYR OH : rot 165:sc= -4.28! USER MOD Single : A 21 SER OG : rot -41:sc= 1.58 USER MOD Single : A 26 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) USER MOD Single : A 27 THR OG1 : rot 178:sc= -2.01! USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.352 USER MOD Single : A 33 LYS NZ :NH3+ -152:sc= 0.0977 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 142:sc= -3.4! (180deg=-5.93!) USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.077) USER MOD Single : A 50 GLN : amide:sc= -4.51! K(o=-4.5!,f=-1.5) USER MOD Single : A 52 GLN : amide:sc= -0.441 K(o=-0.44,f=-2.3) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 175:sc= -1.22 (180deg=-1.48) USER MOD Single : A 75 GLN : amide:sc= -7.53! C(o=-7.5!,f=-4.4!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.643 K(o=-0.64,f=-0.048) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -6.61! C(o=-6.6!,f=-5.1!) USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.876 -28.346 -4.193 1.00 62.23 N ATOM 215 CA PHE A 15 -0.580 -28.490 -4.477 1.00 50.15 C ATOM 216 C PHE A 15 -1.317 -27.210 -4.075 1.00 33.33 C ATOM 217 O PHE A 15 -1.000 -26.589 -3.080 1.00 2.32 O ATOM 218 CB PHE A 15 -1.032 -29.671 -3.609 1.00 61.41 C ATOM 219 CG PHE A 15 -2.527 -29.608 -3.383 1.00 42.24 C ATOM 220 CD1 PHE A 15 -3.064 -28.690 -2.472 1.00 73.42 C ATOM 221 CD2 PHE A 15 -3.375 -30.469 -4.090 1.00 30.24 C ATOM 222 CE1 PHE A 15 -4.447 -28.631 -2.268 1.00 11.31 C ATOM 223 CE2 PHE A 15 -4.759 -30.410 -3.885 1.00 0.14 C ATOM 224 CZ PHE A 15 -5.295 -29.493 -2.976 1.00 33.05 C ATOM 0 HA PHE A 15 -0.788 -28.659 -5.534 1.00 50.15 H new ATOM 0 HB2 PHE A 15 -0.769 -30.611 -4.094 1.00 61.41 H new ATOM 0 HB3 PHE A 15 -0.510 -29.650 -2.652 1.00 61.41 H new ATOM 0 HD1 PHE A 15 -2.410 -28.027 -1.926 1.00 73.42 H new ATOM 0 HD2 PHE A 15 -2.962 -31.178 -4.793 1.00 30.24 H new ATOM 0 HE1 PHE A 15 -4.860 -27.922 -1.566 1.00 11.31 H new ATOM 0 HE2 PHE A 15 -5.413 -31.074 -4.430 1.00 0.14 H new ATOM 0 HZ PHE A 15 -6.363 -29.449 -2.819 1.00 33.05 H new ATOM 234 N CYS A 16 -2.307 -26.817 -4.829 1.00 55.30 N ATOM 235 CA CYS A 16 -3.065 -25.585 -4.465 1.00 44.10 C ATOM 236 C CYS A 16 -4.537 -25.744 -4.856 1.00 64.13 C ATOM 237 O CYS A 16 -4.878 -26.528 -5.720 1.00 31.13 O ATOM 238 CB CYS A 16 -2.394 -24.445 -5.240 1.00 52.15 C ATOM 239 SG CYS A 16 -2.921 -24.464 -6.970 1.00 2.14 S ATOM 0 H CYS A 16 -2.623 -27.291 -5.675 1.00 55.30 H new ATOM 0 HA CYS A 16 -3.049 -25.386 -3.393 1.00 44.10 H new ATOM 0 HB2 CYS A 16 -2.650 -23.488 -4.786 1.00 52.15 H new ATOM 0 HB3 CYS A 16 -1.310 -24.546 -5.182 1.00 52.15 H new ATOM 0 HG CYS A 16 -2.206 -23.618 -7.651 1.00 2.14 H new ATOM 245 N VAL A 17 -5.416 -25.020 -4.220 1.00 43.41 N ATOM 246 CA VAL A 17 -6.864 -25.149 -4.550 1.00 12.34 C ATOM 247 C VAL A 17 -7.365 -23.899 -5.274 1.00 12.33 C ATOM 248 O VAL A 17 -7.142 -22.785 -4.842 1.00 31.03 O ATOM 249 CB VAL A 17 -7.577 -25.299 -3.205 1.00 52.32 C ATOM 250 CG1 VAL A 17 -8.960 -25.908 -3.431 1.00 12.11 C ATOM 251 CG2 VAL A 17 -6.764 -26.216 -2.284 1.00 64.04 C ATOM 0 H VAL A 17 -5.195 -24.346 -3.487 1.00 43.41 H new ATOM 0 HA VAL A 17 -7.051 -25.997 -5.209 1.00 12.34 H new ATOM 0 HB VAL A 17 -7.677 -24.318 -2.740 1.00 52.32 H new ATOM 0 HG11 VAL A 17 -9.471 -26.016 -2.474 1.00 12.11 H new ATOM 0 HG12 VAL A 17 -9.543 -25.256 -4.082 1.00 12.11 H new ATOM 0 HG13 VAL A 17 -8.854 -26.887 -3.899 1.00 12.11 H new ATOM 0 HG21 VAL A 17 -7.277 -26.319 -1.328 1.00 64.04 H new ATOM 0 HG22 VAL A 17 -6.660 -27.197 -2.747 1.00 64.04 H new ATOM 0 HG23 VAL A 17 -5.776 -25.785 -2.121 1.00 64.04 H new ATOM 261 N ILE A 18 -8.050 -24.075 -6.370 1.00 12.14 N ATOM 262 CA ILE A 18 -8.576 -22.900 -7.121 1.00 12.21 C ATOM 263 C ILE A 18 -10.051 -22.680 -6.776 1.00 12.42 C ATOM 264 O ILE A 18 -10.911 -23.440 -7.175 1.00 44.40 O ATOM 265 CB ILE A 18 -8.421 -23.268 -8.596 1.00 14.42 C ATOM 266 CG1 ILE A 18 -6.941 -23.212 -8.982 1.00 4.22 C ATOM 267 CG2 ILE A 18 -9.209 -22.275 -9.451 1.00 32.13 C ATOM 268 CD1 ILE A 18 -6.399 -24.633 -9.150 1.00 63.10 C ATOM 0 H ILE A 18 -8.269 -24.984 -6.779 1.00 12.14 H new ATOM 0 HA ILE A 18 -8.047 -21.979 -6.876 1.00 12.21 H new ATOM 0 HB ILE A 18 -8.802 -24.276 -8.763 1.00 14.42 H new ATOM 0 HG12 ILE A 18 -6.818 -22.653 -9.910 1.00 4.22 H new ATOM 0 HG13 ILE A 18 -6.375 -22.684 -8.215 1.00 4.22 H new ATOM 0 HG21 ILE A 18 -9.100 -22.535 -10.504 1.00 32.13 H new ATOM 0 HG22 ILE A 18 -10.263 -22.313 -9.175 1.00 32.13 H new ATOM 0 HG23 ILE A 18 -8.827 -21.268 -9.285 1.00 32.13 H new ATOM 0 HD11 ILE A 18 -5.345 -24.590 -9.425 1.00 63.10 H new ATOM 0 HD12 ILE A 18 -6.508 -25.177 -8.212 1.00 63.10 H new ATOM 0 HD13 ILE A 18 -6.958 -25.145 -9.933 1.00 63.10 H new ATOM 280 N TYR A 19 -10.351 -21.649 -6.036 1.00 30.21 N ATOM 281 CA TYR A 19 -11.771 -21.386 -5.668 1.00 72.35 C ATOM 282 C TYR A 19 -12.431 -20.494 -6.719 1.00 21.44 C ATOM 283 O TYR A 19 -11.766 -19.832 -7.488 1.00 23.03 O ATOM 284 CB TYR A 19 -11.709 -20.649 -4.331 1.00 34.12 C ATOM 285 CG TYR A 19 -11.492 -21.641 -3.213 1.00 43.14 C ATOM 286 CD1 TYR A 19 -10.194 -22.045 -2.880 1.00 52.32 C ATOM 287 CD2 TYR A 19 -12.586 -22.154 -2.506 1.00 24.54 C ATOM 288 CE1 TYR A 19 -9.990 -22.961 -1.841 1.00 5.24 C ATOM 289 CE2 TYR A 19 -12.382 -23.072 -1.467 1.00 22.40 C ATOM 290 CZ TYR A 19 -11.084 -23.474 -1.135 1.00 12.01 C ATOM 291 OH TYR A 19 -10.879 -24.378 -0.112 1.00 53.30 O ATOM 0 H TYR A 19 -9.676 -20.978 -5.670 1.00 30.21 H new ATOM 0 HA TYR A 19 -12.352 -22.306 -5.606 1.00 72.35 H new ATOM 0 HB2 TYR A 19 -10.900 -19.919 -4.344 1.00 34.12 H new ATOM 0 HB3 TYR A 19 -12.634 -20.097 -4.166 1.00 34.12 H new ATOM 0 HD1 TYR A 19 -9.349 -21.650 -3.425 1.00 52.32 H new ATOM 0 HD2 TYR A 19 -13.588 -21.842 -2.761 1.00 24.54 H new ATOM 0 HE1 TYR A 19 -8.988 -23.272 -1.584 1.00 5.24 H new ATOM 0 HE2 TYR A 19 -13.226 -23.469 -0.923 1.00 22.40 H new ATOM 0 HH TYR A 19 -11.695 -24.454 0.426 1.00 53.30 H new ATOM 301 N ARG A 20 -13.735 -20.458 -6.749 1.00 54.30 N ATOM 302 CA ARG A 20 -14.418 -19.588 -7.744 1.00 11.13 C ATOM 303 C ARG A 20 -15.375 -18.629 -7.030 1.00 12.32 C ATOM 304 O ARG A 20 -15.993 -18.969 -6.039 1.00 31.21 O ATOM 305 CB ARG A 20 -15.166 -20.542 -8.688 1.00 45.41 C ATOM 306 CG ARG A 20 -16.467 -21.050 -8.049 1.00 73.32 C ATOM 307 CD ARG A 20 -17.508 -21.267 -9.150 1.00 71.11 C ATOM 308 NE ARG A 20 -18.034 -19.907 -9.453 1.00 51.14 N ATOM 309 CZ ARG A 20 -19.275 -19.754 -9.827 1.00 61.35 C ATOM 310 NH1 ARG A 20 -19.818 -20.602 -10.656 1.00 51.14 N ATOM 311 NH2 ARG A 20 -19.976 -18.752 -9.366 1.00 74.42 N ATOM 0 H ARG A 20 -14.351 -20.989 -6.133 1.00 54.30 H new ATOM 0 HA ARG A 20 -13.718 -18.966 -8.302 1.00 11.13 H new ATOM 0 HB2 ARG A 20 -15.393 -20.029 -9.622 1.00 45.41 H new ATOM 0 HB3 ARG A 20 -14.525 -21.388 -8.936 1.00 45.41 H new ATOM 0 HG2 ARG A 20 -16.285 -21.982 -7.513 1.00 73.32 H new ATOM 0 HG3 ARG A 20 -16.835 -20.329 -7.319 1.00 73.32 H new ATOM 0 HD2 ARG A 20 -17.060 -21.723 -10.033 1.00 71.11 H new ATOM 0 HD3 ARG A 20 -18.304 -21.933 -8.816 1.00 71.11 H new ATOM 0 HE ARG A 20 -17.424 -19.094 -9.368 1.00 51.14 H new ATOM 0 HH11 ARG A 20 -19.273 -21.386 -11.013 1.00 51.14 H new ATOM 0 HH12 ARG A 20 -20.788 -20.481 -10.947 1.00 51.14 H new ATOM 0 HH21 ARG A 20 -19.553 -18.091 -8.715 1.00 74.42 H new ATOM 0 HH22 ARG A 20 -20.946 -18.631 -9.658 1.00 74.42 H new ATOM 325 N SER A 21 -15.491 -17.430 -7.522 1.00 75.13 N ATOM 326 CA SER A 21 -16.400 -16.440 -6.872 1.00 62.25 C ATOM 327 C SER A 21 -17.861 -16.804 -7.150 1.00 45.40 C ATOM 328 O SER A 21 -18.228 -17.130 -8.262 1.00 61.12 O ATOM 329 CB SER A 21 -16.050 -15.101 -7.515 1.00 10.03 C ATOM 330 OG SER A 21 -14.683 -14.802 -7.262 1.00 41.10 O ATOM 0 H SER A 21 -14.997 -17.089 -8.347 1.00 75.13 H new ATOM 0 HA SER A 21 -16.279 -16.416 -5.789 1.00 62.25 H new ATOM 0 HB2 SER A 21 -16.233 -15.141 -8.589 1.00 10.03 H new ATOM 0 HB3 SER A 21 -16.687 -14.313 -7.112 1.00 10.03 H new ATOM 0 HG SER A 21 -14.460 -15.047 -6.340 1.00 41.10 H new ATOM 336 N SER A 22 -18.699 -16.754 -6.149 1.00 31.35 N ATOM 337 CA SER A 22 -20.134 -17.100 -6.359 1.00 71.13 C ATOM 338 C SER A 22 -20.683 -16.357 -7.580 1.00 15.42 C ATOM 339 O SER A 22 -21.397 -16.916 -8.389 1.00 14.30 O ATOM 340 CB SER A 22 -20.853 -16.642 -5.086 1.00 21.14 C ATOM 341 OG SER A 22 -19.915 -16.065 -4.190 1.00 22.24 O ATOM 0 H SER A 22 -18.452 -16.489 -5.196 1.00 31.35 H new ATOM 0 HA SER A 22 -20.275 -18.165 -6.542 1.00 71.13 H new ATOM 0 HB2 SER A 22 -21.627 -15.916 -5.335 1.00 21.14 H new ATOM 0 HB3 SER A 22 -21.350 -17.489 -4.612 1.00 21.14 H new ATOM 0 HG SER A 22 -19.472 -16.774 -3.678 1.00 22.24 H new ATOM 347 N LYS A 23 -20.352 -15.104 -7.722 1.00 14.25 N ATOM 348 CA LYS A 23 -20.852 -14.331 -8.895 1.00 75.13 C ATOM 349 C LYS A 23 -19.924 -13.149 -9.188 1.00 62.12 C ATOM 350 O LYS A 23 -20.062 -12.084 -8.621 1.00 34.34 O ATOM 351 CB LYS A 23 -22.239 -13.839 -8.479 1.00 11.03 C ATOM 352 CG LYS A 23 -22.119 -12.988 -7.214 1.00 31.34 C ATOM 353 CD LYS A 23 -22.953 -13.614 -6.095 1.00 64.13 C ATOM 354 CE LYS A 23 -22.500 -13.053 -4.746 1.00 11.51 C ATOM 355 NZ LYS A 23 -21.194 -13.717 -4.474 1.00 0.44 N ATOM 0 H LYS A 23 -19.758 -14.582 -7.078 1.00 14.25 H new ATOM 0 HA LYS A 23 -20.888 -14.933 -9.803 1.00 75.13 H new ATOM 0 HB2 LYS A 23 -22.685 -13.254 -9.283 1.00 11.03 H new ATOM 0 HB3 LYS A 23 -22.899 -14.688 -8.298 1.00 11.03 H new ATOM 0 HG2 LYS A 23 -21.075 -12.918 -6.908 1.00 31.34 H new ATOM 0 HG3 LYS A 23 -22.462 -11.973 -7.413 1.00 31.34 H new ATOM 0 HD2 LYS A 23 -24.010 -13.401 -6.253 1.00 64.13 H new ATOM 0 HD3 LYS A 23 -22.841 -14.698 -6.106 1.00 64.13 H new ATOM 0 HE2 LYS A 23 -22.392 -11.969 -4.785 1.00 11.51 H new ATOM 0 HE3 LYS A 23 -23.226 -13.273 -3.963 1.00 11.51 H new ATOM 0 HZ1 LYS A 23 -20.557 -13.048 -3.996 1.00 0.44 H new ATOM 0 HZ2 LYS A 23 -21.346 -14.546 -3.865 1.00 0.44 H new ATOM 0 HZ3 LYS A 23 -20.766 -14.021 -5.372 1.00 0.44 H new ATOM 369 N ARG A 24 -18.986 -13.330 -10.075 1.00 42.30 N ATOM 370 CA ARG A 24 -18.049 -12.220 -10.413 1.00 62.02 C ATOM 371 C ARG A 24 -17.558 -12.374 -11.854 1.00 22.33 C ATOM 372 O ARG A 24 -18.056 -13.191 -12.605 1.00 14.40 O ATOM 373 CB ARG A 24 -16.879 -12.372 -9.437 1.00 64.25 C ATOM 374 CG ARG A 24 -17.221 -11.699 -8.105 1.00 44.32 C ATOM 375 CD ARG A 24 -17.314 -10.182 -8.300 1.00 52.04 C ATOM 376 NE ARG A 24 -18.327 -9.728 -7.306 1.00 74.50 N ATOM 377 CZ ARG A 24 -19.490 -9.297 -7.710 1.00 50.31 C ATOM 378 NH1 ARG A 24 -19.568 -8.504 -8.744 1.00 43.11 N ATOM 379 NH2 ARG A 24 -20.574 -9.656 -7.079 1.00 32.41 N ATOM 0 H ARG A 24 -18.827 -14.200 -10.582 1.00 42.30 H new ATOM 0 HA ARG A 24 -18.522 -11.241 -10.332 1.00 62.02 H new ATOM 0 HB2 ARG A 24 -16.663 -13.428 -9.276 1.00 64.25 H new ATOM 0 HB3 ARG A 24 -15.980 -11.924 -9.861 1.00 64.25 H new ATOM 0 HG2 ARG A 24 -18.167 -12.085 -7.724 1.00 44.32 H new ATOM 0 HG3 ARG A 24 -16.459 -11.934 -7.362 1.00 44.32 H new ATOM 0 HD2 ARG A 24 -16.350 -9.702 -8.129 1.00 52.04 H new ATOM 0 HD3 ARG A 24 -17.619 -9.932 -9.316 1.00 52.04 H new ATOM 0 HE ARG A 24 -18.111 -9.754 -6.309 1.00 74.50 H new ATOM 0 HH11 ARG A 24 -18.720 -8.222 -9.235 1.00 43.11 H new ATOM 0 HH12 ARG A 24 -20.477 -8.167 -9.061 1.00 43.11 H new ATOM 0 HH21 ARG A 24 -20.512 -10.274 -6.270 1.00 32.41 H new ATOM 0 HH22 ARG A 24 -21.483 -9.319 -7.395 1.00 32.41 H new ATOM 393 N ASP A 25 -16.586 -11.601 -12.250 1.00 14.11 N ATOM 394 CA ASP A 25 -16.065 -11.714 -13.642 1.00 73.51 C ATOM 395 C ASP A 25 -15.128 -12.921 -13.753 1.00 64.14 C ATOM 396 O ASP A 25 -13.995 -12.804 -14.172 1.00 54.34 O ATOM 397 CB ASP A 25 -15.301 -10.413 -13.890 1.00 0.12 C ATOM 398 CG ASP A 25 -16.266 -9.349 -14.423 1.00 54.41 C ATOM 399 OD1 ASP A 25 -17.437 -9.421 -14.093 1.00 50.42 O ATOM 400 OD2 ASP A 25 -15.814 -8.481 -15.151 1.00 53.31 O ATOM 0 H ASP A 25 -16.130 -10.896 -11.671 1.00 14.11 H new ATOM 0 HA ASP A 25 -16.861 -11.859 -14.373 1.00 73.51 H new ATOM 0 HB2 ASP A 25 -14.838 -10.069 -12.965 1.00 0.12 H new ATOM 0 HB3 ASP A 25 -14.497 -10.582 -14.606 1.00 0.12 H new ATOM 405 N GLN A 26 -15.598 -14.079 -13.376 1.00 63.13 N ATOM 406 CA GLN A 26 -14.746 -15.300 -13.454 1.00 42.12 C ATOM 407 C GLN A 26 -13.475 -15.123 -12.615 1.00 41.43 C ATOM 408 O GLN A 26 -12.373 -15.263 -13.106 1.00 0.31 O ATOM 409 CB GLN A 26 -14.397 -15.454 -14.935 1.00 42.14 C ATOM 410 CG GLN A 26 -15.506 -16.241 -15.639 1.00 23.12 C ATOM 411 CD GLN A 26 -15.912 -15.511 -16.921 1.00 10.40 C ATOM 412 OE1 GLN A 26 -15.767 -16.038 -18.008 1.00 62.13 O ATOM 413 NE2 GLN A 26 -16.423 -14.313 -16.841 1.00 11.02 N ATOM 0 H GLN A 26 -16.540 -14.232 -13.016 1.00 63.13 H new ATOM 0 HA GLN A 26 -15.259 -16.180 -13.065 1.00 42.12 H new ATOM 0 HB2 GLN A 26 -14.282 -14.473 -15.397 1.00 42.14 H new ATOM 0 HB3 GLN A 26 -13.444 -15.971 -15.044 1.00 42.14 H new ATOM 0 HG2 GLN A 26 -15.160 -17.247 -15.875 1.00 23.12 H new ATOM 0 HG3 GLN A 26 -16.367 -16.347 -14.979 1.00 23.12 H new ATOM 0 HE21 GLN A 26 -16.545 -13.870 -15.930 1.00 11.02 H new ATOM 0 HE22 GLN A 26 -16.700 -13.819 -17.689 1.00 11.02 H new ATOM 422 N THR A 27 -13.624 -14.825 -11.353 1.00 60.41 N ATOM 423 CA THR A 27 -12.424 -14.649 -10.482 1.00 52.34 C ATOM 424 C THR A 27 -12.149 -15.945 -9.712 1.00 44.04 C ATOM 425 O THR A 27 -13.063 -16.639 -9.308 1.00 4.24 O ATOM 426 CB THR A 27 -12.796 -13.522 -9.515 1.00 23.52 C ATOM 427 OG1 THR A 27 -12.854 -12.293 -10.226 1.00 50.24 O ATOM 428 CG2 THR A 27 -11.743 -13.425 -8.409 1.00 34.13 C ATOM 0 H THR A 27 -14.522 -14.696 -10.887 1.00 60.41 H new ATOM 0 HA THR A 27 -11.526 -14.413 -11.053 1.00 52.34 H new ATOM 0 HB THR A 27 -13.768 -13.732 -9.068 1.00 23.52 H new ATOM 0 HG1 THR A 27 -13.125 -11.575 -9.617 1.00 50.24 H new ATOM 0 HG21 THR A 27 -12.010 -12.622 -7.722 1.00 34.13 H new ATOM 0 HG22 THR A 27 -11.699 -14.368 -7.865 1.00 34.13 H new ATOM 0 HG23 THR A 27 -10.769 -13.215 -8.851 1.00 34.13 H new ATOM 436 N TYR A 28 -10.905 -16.288 -9.513 1.00 64.11 N ATOM 437 CA TYR A 28 -10.600 -17.551 -8.776 1.00 1.52 C ATOM 438 C TYR A 28 -9.510 -17.322 -7.727 1.00 63.11 C ATOM 439 O TYR A 28 -8.589 -16.552 -7.923 1.00 41.34 O ATOM 440 CB TYR A 28 -10.117 -18.528 -9.848 1.00 33.32 C ATOM 441 CG TYR A 28 -11.298 -19.014 -10.655 1.00 31.53 C ATOM 442 CD1 TYR A 28 -11.765 -18.259 -11.737 1.00 64.03 C ATOM 443 CD2 TYR A 28 -11.925 -20.221 -10.322 1.00 14.11 C ATOM 444 CE1 TYR A 28 -12.859 -18.711 -12.486 1.00 53.01 C ATOM 445 CE2 TYR A 28 -13.018 -20.672 -11.071 1.00 51.01 C ATOM 446 CZ TYR A 28 -13.485 -19.918 -12.153 1.00 64.41 C ATOM 447 OH TYR A 28 -14.563 -20.364 -12.892 1.00 52.40 O ATOM 0 H TYR A 28 -10.093 -15.755 -9.825 1.00 64.11 H new ATOM 0 HA TYR A 28 -11.470 -17.927 -8.238 1.00 1.52 H new ATOM 0 HB2 TYR A 28 -9.393 -18.040 -10.501 1.00 33.32 H new ATOM 0 HB3 TYR A 28 -9.608 -19.372 -9.383 1.00 33.32 H new ATOM 0 HD1 TYR A 28 -11.282 -17.328 -11.994 1.00 64.03 H new ATOM 0 HD2 TYR A 28 -11.565 -20.804 -9.487 1.00 14.11 H new ATOM 0 HE1 TYR A 28 -13.220 -18.128 -13.321 1.00 53.01 H new ATOM 0 HE2 TYR A 28 -13.501 -21.603 -10.813 1.00 51.01 H new ATOM 0 HH TYR A 28 -14.878 -21.218 -12.528 1.00 52.40 H new ATOM 457 N LEU A 29 -9.607 -17.996 -6.610 1.00 73.00 N ATOM 458 CA LEU A 29 -8.582 -17.836 -5.539 1.00 14.35 C ATOM 459 C LEU A 29 -7.671 -19.067 -5.496 1.00 70.41 C ATOM 460 O LEU A 29 -8.051 -20.145 -5.910 1.00 62.33 O ATOM 461 CB LEU A 29 -9.381 -17.724 -4.239 1.00 5.00 C ATOM 462 CG LEU A 29 -9.288 -16.297 -3.697 1.00 32.50 C ATOM 463 CD1 LEU A 29 -10.014 -16.215 -2.352 1.00 23.44 C ATOM 464 CD2 LEU A 29 -7.817 -15.921 -3.502 1.00 62.41 C ATOM 0 H LEU A 29 -10.357 -18.653 -6.394 1.00 73.00 H new ATOM 0 HA LEU A 29 -7.944 -16.968 -5.704 1.00 14.35 H new ATOM 0 HB2 LEU A 29 -10.423 -17.988 -4.418 1.00 5.00 H new ATOM 0 HB3 LEU A 29 -8.996 -18.429 -3.502 1.00 5.00 H new ATOM 0 HG LEU A 29 -9.750 -15.609 -4.405 1.00 32.50 H new ATOM 0 HD11 LEU A 29 -9.948 -15.198 -1.965 1.00 23.44 H new ATOM 0 HD12 LEU A 29 -11.061 -16.485 -2.487 1.00 23.44 H new ATOM 0 HD13 LEU A 29 -9.550 -16.903 -1.645 1.00 23.44 H new ATOM 0 HD21 LEU A 29 -7.750 -14.904 -3.116 1.00 62.41 H new ATOM 0 HD22 LEU A 29 -7.356 -16.610 -2.794 1.00 62.41 H new ATOM 0 HD23 LEU A 29 -7.296 -15.981 -4.458 1.00 62.41 H new ATOM 476 N TYR A 30 -6.474 -18.921 -4.995 1.00 44.33 N ATOM 477 CA TYR A 30 -5.549 -20.089 -4.925 1.00 61.12 C ATOM 478 C TYR A 30 -4.981 -20.232 -3.510 1.00 52.14 C ATOM 479 O TYR A 30 -4.650 -19.259 -2.862 1.00 74.31 O ATOM 480 CB TYR A 30 -4.432 -19.772 -5.920 1.00 72.52 C ATOM 481 CG TYR A 30 -4.961 -19.894 -7.328 1.00 12.12 C ATOM 482 CD1 TYR A 30 -5.894 -18.967 -7.806 1.00 50.53 C ATOM 483 CD2 TYR A 30 -4.516 -20.930 -8.158 1.00 41.40 C ATOM 484 CE1 TYR A 30 -6.384 -19.076 -9.111 1.00 1.13 C ATOM 485 CE2 TYR A 30 -5.007 -21.039 -9.465 1.00 65.14 C ATOM 486 CZ TYR A 30 -5.939 -20.113 -9.942 1.00 55.04 C ATOM 487 OH TYR A 30 -6.425 -20.220 -11.230 1.00 32.51 O ATOM 0 H TYR A 30 -6.097 -18.046 -4.632 1.00 44.33 H new ATOM 0 HA TYR A 30 -6.052 -21.027 -5.162 1.00 61.12 H new ATOM 0 HB2 TYR A 30 -4.053 -18.764 -5.749 1.00 72.52 H new ATOM 0 HB3 TYR A 30 -3.596 -20.456 -5.774 1.00 72.52 H new ATOM 0 HD1 TYR A 30 -6.236 -18.167 -7.166 1.00 50.53 H new ATOM 0 HD2 TYR A 30 -3.794 -21.645 -7.791 1.00 41.40 H new ATOM 0 HE1 TYR A 30 -7.105 -18.361 -9.479 1.00 1.13 H new ATOM 0 HE2 TYR A 30 -4.665 -21.839 -10.105 1.00 65.14 H new ATOM 0 HH TYR A 30 -6.014 -20.992 -11.672 1.00 32.51 H new ATOM 497 N VAL A 31 -4.865 -21.438 -3.026 1.00 15.21 N ATOM 498 CA VAL A 31 -4.315 -21.643 -1.651 1.00 10.32 C ATOM 499 C VAL A 31 -3.613 -22.997 -1.557 1.00 64.12 C ATOM 500 O VAL A 31 -3.957 -23.938 -2.243 1.00 2.20 O ATOM 501 CB VAL A 31 -5.517 -21.603 -0.696 1.00 45.40 C ATOM 502 CG1 VAL A 31 -5.697 -20.179 -0.174 1.00 4.33 C ATOM 503 CG2 VAL A 31 -6.797 -22.044 -1.417 1.00 65.31 C ATOM 0 H VAL A 31 -5.126 -22.291 -3.521 1.00 15.21 H new ATOM 0 HA VAL A 31 -3.582 -20.876 -1.400 1.00 10.32 H new ATOM 0 HB VAL A 31 -5.330 -22.286 0.132 1.00 45.40 H new ATOM 0 HG11 VAL A 31 -6.549 -20.145 0.505 1.00 4.33 H new ATOM 0 HG12 VAL A 31 -4.797 -19.870 0.358 1.00 4.33 H new ATOM 0 HG13 VAL A 31 -5.873 -19.504 -1.012 1.00 4.33 H new ATOM 0 HG21 VAL A 31 -7.636 -22.008 -0.723 1.00 65.31 H new ATOM 0 HG22 VAL A 31 -6.991 -21.375 -2.255 1.00 65.31 H new ATOM 0 HG23 VAL A 31 -6.674 -23.062 -1.786 1.00 65.31 H new ATOM 513 N GLU A 32 -2.636 -23.109 -0.701 1.00 61.32 N ATOM 514 CA GLU A 32 -1.920 -24.408 -0.558 1.00 74.42 C ATOM 515 C GLU A 32 -2.891 -25.480 -0.059 1.00 51.15 C ATOM 516 O GLU A 32 -2.609 -26.661 -0.110 1.00 71.24 O ATOM 517 CB GLU A 32 -0.827 -24.147 0.476 1.00 22.35 C ATOM 518 CG GLU A 32 -1.471 -23.745 1.804 1.00 42.50 C ATOM 519 CD GLU A 32 -0.623 -24.274 2.964 1.00 21.03 C ATOM 520 OE1 GLU A 32 -0.525 -25.482 3.096 1.00 2.21 O ATOM 521 OE2 GLU A 32 -0.089 -23.461 3.700 1.00 73.11 O ATOM 0 H GLU A 32 -2.303 -22.359 -0.095 1.00 61.32 H new ATOM 0 HA GLU A 32 -1.505 -24.764 -1.501 1.00 74.42 H new ATOM 0 HB2 GLU A 32 -0.217 -25.040 0.610 1.00 22.35 H new ATOM 0 HB3 GLU A 32 -0.162 -23.357 0.127 1.00 22.35 H new ATOM 0 HG2 GLU A 32 -1.555 -22.660 1.866 1.00 42.50 H new ATOM 0 HG3 GLU A 32 -2.482 -24.147 1.866 1.00 42.50 H new ATOM 528 N LYS A 33 -4.035 -25.072 0.415 1.00 52.43 N ATOM 529 CA LYS A 33 -5.037 -26.057 0.916 1.00 5.25 C ATOM 530 C LYS A 33 -6.420 -25.408 0.966 1.00 42.35 C ATOM 531 O LYS A 33 -6.560 -24.207 0.834 1.00 54.15 O ATOM 532 CB LYS A 33 -4.565 -26.427 2.323 1.00 22.15 C ATOM 533 CG LYS A 33 -4.726 -25.223 3.249 1.00 71.42 C ATOM 534 CD LYS A 33 -3.399 -24.941 3.953 1.00 2.32 C ATOM 535 CE LYS A 33 -3.487 -25.402 5.409 1.00 1.13 C ATOM 536 NZ LYS A 33 -2.077 -25.414 5.891 1.00 51.10 N ATOM 0 H LYS A 33 -4.321 -24.095 0.478 1.00 52.43 H new ATOM 0 HA LYS A 33 -5.116 -26.934 0.274 1.00 5.25 H new ATOM 0 HB2 LYS A 33 -5.143 -27.270 2.702 1.00 22.15 H new ATOM 0 HB3 LYS A 33 -3.522 -26.742 2.297 1.00 22.15 H new ATOM 0 HG2 LYS A 33 -5.039 -24.350 2.677 1.00 71.42 H new ATOM 0 HG3 LYS A 33 -5.506 -25.418 3.985 1.00 71.42 H new ATOM 0 HD2 LYS A 33 -2.587 -25.461 3.444 1.00 2.32 H new ATOM 0 HD3 LYS A 33 -3.172 -23.876 3.911 1.00 2.32 H new ATOM 0 HE2 LYS A 33 -4.102 -24.725 6.002 1.00 1.13 H new ATOM 0 HE3 LYS A 33 -3.939 -26.391 5.484 1.00 1.13 H new ATOM 0 HZ1 LYS A 33 -1.974 -26.122 6.645 1.00 51.10 H new ATOM 0 HZ2 LYS A 33 -1.443 -25.653 5.102 1.00 51.10 H new ATOM 0 HZ3 LYS A 33 -1.829 -24.475 6.262 1.00 51.10 H new ATOM 550 N LYS A 34 -7.443 -26.191 1.148 1.00 42.25 N ATOM 551 CA LYS A 34 -8.822 -25.624 1.199 1.00 21.43 C ATOM 552 C LYS A 34 -9.201 -25.271 2.640 1.00 13.34 C ATOM 553 O LYS A 34 -10.141 -25.808 3.190 1.00 0.30 O ATOM 554 CB LYS A 34 -9.726 -26.738 0.671 1.00 35.41 C ATOM 555 CG LYS A 34 -9.558 -27.985 1.542 1.00 73.22 C ATOM 556 CD LYS A 34 -8.850 -29.078 0.740 1.00 44.00 C ATOM 557 CE LYS A 34 -9.207 -30.451 1.317 1.00 52.31 C ATOM 558 NZ LYS A 34 -8.062 -31.333 0.952 1.00 42.33 N ATOM 0 H LYS A 34 -7.386 -27.203 1.264 1.00 42.25 H new ATOM 0 HA LYS A 34 -8.911 -24.709 0.614 1.00 21.43 H new ATOM 0 HB2 LYS A 34 -10.766 -26.412 0.680 1.00 35.41 H new ATOM 0 HB3 LYS A 34 -9.473 -26.967 -0.364 1.00 35.41 H new ATOM 0 HG2 LYS A 34 -8.981 -27.743 2.434 1.00 73.22 H new ATOM 0 HG3 LYS A 34 -10.532 -28.340 1.879 1.00 73.22 H new ATOM 0 HD2 LYS A 34 -9.146 -29.024 -0.308 1.00 44.00 H new ATOM 0 HD3 LYS A 34 -7.771 -28.927 0.774 1.00 44.00 H new ATOM 0 HE2 LYS A 34 -9.339 -30.403 2.398 1.00 52.31 H new ATOM 0 HE3 LYS A 34 -10.142 -30.824 0.898 1.00 52.31 H new ATOM 0 HZ1 LYS A 34 -8.234 -32.293 1.314 1.00 42.33 H new ATOM 0 HZ2 LYS A 34 -7.965 -31.365 -0.083 1.00 42.33 H new ATOM 0 HZ3 LYS A 34 -7.187 -30.957 1.370 1.00 42.33 H new ATOM 572 N ASP A 35 -8.476 -24.381 3.263 1.00 41.24 N ATOM 573 CA ASP A 35 -8.809 -24.018 4.670 1.00 3.50 C ATOM 574 C ASP A 35 -9.608 -22.714 4.723 1.00 60.25 C ATOM 575 O ASP A 35 -10.792 -22.710 4.990 1.00 50.21 O ATOM 576 CB ASP A 35 -7.457 -23.841 5.361 1.00 4.04 C ATOM 577 CG ASP A 35 -7.077 -25.134 6.083 1.00 22.12 C ATOM 578 OD1 ASP A 35 -7.184 -26.184 5.470 1.00 74.33 O ATOM 579 OD2 ASP A 35 -6.685 -25.053 7.236 1.00 13.41 O ATOM 0 H ASP A 35 -7.674 -23.894 2.863 1.00 41.24 H new ATOM 0 HA ASP A 35 -9.424 -24.779 5.150 1.00 3.50 H new ATOM 0 HB2 ASP A 35 -6.693 -23.584 4.627 1.00 4.04 H new ATOM 0 HB3 ASP A 35 -7.506 -23.016 6.072 1.00 4.04 H new ATOM 584 N ASP A 36 -8.969 -21.605 4.475 1.00 12.11 N ATOM 585 CA ASP A 36 -9.692 -20.304 4.517 1.00 23.30 C ATOM 586 C ASP A 36 -8.840 -19.198 3.897 1.00 72.25 C ATOM 587 O ASP A 36 -7.680 -19.388 3.588 1.00 24.12 O ATOM 588 CB ASP A 36 -9.932 -20.020 5.998 1.00 63.02 C ATOM 589 CG ASP A 36 -11.342 -20.473 6.385 1.00 24.14 C ATOM 590 OD1 ASP A 36 -12.091 -20.832 5.491 1.00 2.52 O ATOM 591 OD2 ASP A 36 -11.647 -20.450 7.565 1.00 73.21 O ATOM 0 H ASP A 36 -7.977 -21.543 4.245 1.00 12.11 H new ATOM 0 HA ASP A 36 -10.624 -20.342 3.953 1.00 23.30 H new ATOM 0 HB2 ASP A 36 -9.192 -20.543 6.604 1.00 63.02 H new ATOM 0 HB3 ASP A 36 -9.813 -18.955 6.199 1.00 63.02 H new ATOM 596 N PHE A 37 -9.404 -18.037 3.730 1.00 51.34 N ATOM 597 CA PHE A 37 -8.631 -16.905 3.148 1.00 71.41 C ATOM 598 C PHE A 37 -8.629 -15.722 4.121 1.00 74.00 C ATOM 599 O PHE A 37 -9.583 -14.972 4.203 1.00 52.25 O ATOM 600 CB PHE A 37 -9.389 -16.539 1.873 1.00 1.50 C ATOM 601 CG PHE A 37 -9.007 -17.490 0.764 1.00 23.31 C ATOM 602 CD1 PHE A 37 -9.705 -18.691 0.603 1.00 23.41 C ATOM 603 CD2 PHE A 37 -7.958 -17.166 -0.102 1.00 5.42 C ATOM 604 CE1 PHE A 37 -9.353 -19.571 -0.428 1.00 42.15 C ATOM 605 CE2 PHE A 37 -7.604 -18.044 -1.132 1.00 41.24 C ATOM 606 CZ PHE A 37 -8.304 -19.248 -1.297 1.00 33.34 C ATOM 0 H PHE A 37 -10.371 -17.821 3.972 1.00 51.34 H new ATOM 0 HA PHE A 37 -7.590 -17.163 2.951 1.00 71.41 H new ATOM 0 HB2 PHE A 37 -10.463 -16.585 2.051 1.00 1.50 H new ATOM 0 HB3 PHE A 37 -9.158 -15.514 1.582 1.00 1.50 H new ATOM 0 HD1 PHE A 37 -10.515 -18.940 1.273 1.00 23.41 H new ATOM 0 HD2 PHE A 37 -7.421 -16.238 0.024 1.00 5.42 H new ATOM 0 HE1 PHE A 37 -9.891 -20.499 -0.553 1.00 42.15 H new ATOM 0 HE2 PHE A 37 -6.792 -17.795 -1.800 1.00 41.24 H new ATOM 0 HZ PHE A 37 -8.034 -19.925 -2.094 1.00 33.34 H new ATOM 616 N SER A 38 -7.565 -15.549 4.856 1.00 44.21 N ATOM 617 CA SER A 38 -7.499 -14.414 5.823 1.00 3.11 C ATOM 618 C SER A 38 -6.444 -13.399 5.375 1.00 0.34 C ATOM 619 O SER A 38 -6.316 -12.330 5.937 1.00 51.25 O ATOM 620 CB SER A 38 -7.102 -15.049 7.155 1.00 10.21 C ATOM 621 OG SER A 38 -7.719 -14.337 8.218 1.00 32.11 O ATOM 0 H SER A 38 -6.737 -16.144 4.830 1.00 44.21 H new ATOM 0 HA SER A 38 -8.445 -13.877 5.895 1.00 3.11 H new ATOM 0 HB2 SER A 38 -7.407 -16.095 7.177 1.00 10.21 H new ATOM 0 HB3 SER A 38 -6.018 -15.031 7.271 1.00 10.21 H new ATOM 0 HG SER A 38 -7.467 -14.743 9.073 1.00 32.11 H new ATOM 627 N ARG A 39 -5.680 -13.734 4.373 1.00 43.14 N ATOM 628 CA ARG A 39 -4.622 -12.798 3.894 1.00 44.13 C ATOM 629 C ARG A 39 -5.163 -11.906 2.779 1.00 3.53 C ATOM 630 O ARG A 39 -4.629 -10.852 2.499 1.00 65.24 O ATOM 631 CB ARG A 39 -3.511 -13.703 3.366 1.00 43.51 C ATOM 632 CG ARG A 39 -2.163 -12.997 3.510 1.00 33.30 C ATOM 633 CD ARG A 39 -2.029 -11.923 2.428 1.00 23.52 C ATOM 634 NE ARG A 39 -1.836 -10.649 3.177 1.00 31.13 N ATOM 635 CZ ARG A 39 -0.865 -10.543 4.041 1.00 0.53 C ATOM 636 NH1 ARG A 39 0.201 -11.285 3.918 1.00 12.05 N ATOM 637 NH2 ARG A 39 -0.960 -9.695 5.029 1.00 43.42 N ATOM 0 H ARG A 39 -5.742 -14.616 3.864 1.00 43.14 H new ATOM 0 HA ARG A 39 -4.271 -12.133 4.683 1.00 44.13 H new ATOM 0 HB2 ARG A 39 -3.501 -14.643 3.917 1.00 43.51 H new ATOM 0 HB3 ARG A 39 -3.694 -13.949 2.320 1.00 43.51 H new ATOM 0 HG2 ARG A 39 -2.082 -12.544 4.498 1.00 33.30 H new ATOM 0 HG3 ARG A 39 -1.351 -13.719 3.422 1.00 33.30 H new ATOM 0 HD2 ARG A 39 -1.184 -12.127 1.771 1.00 23.52 H new ATOM 0 HD3 ARG A 39 -2.919 -11.881 1.800 1.00 23.52 H new ATOM 0 HE ARG A 39 -2.463 -9.861 3.014 1.00 31.13 H new ATOM 0 HH11 ARG A 39 0.275 -11.948 3.146 1.00 12.05 H new ATOM 0 HH12 ARG A 39 0.961 -11.202 4.594 1.00 12.05 H new ATOM 0 HH21 ARG A 39 -1.794 -9.115 5.125 1.00 43.42 H new ATOM 0 HH22 ARG A 39 -0.200 -9.612 5.705 1.00 43.42 H new ATOM 651 N VAL A 40 -6.222 -12.315 2.139 1.00 2.02 N ATOM 652 CA VAL A 40 -6.789 -11.483 1.046 1.00 22.13 C ATOM 653 C VAL A 40 -7.309 -10.162 1.616 1.00 30.52 C ATOM 654 O VAL A 40 -7.875 -10.127 2.691 1.00 73.11 O ATOM 655 CB VAL A 40 -7.935 -12.315 0.469 1.00 32.40 C ATOM 656 CG1 VAL A 40 -9.003 -12.529 1.543 1.00 30.30 C ATOM 657 CG2 VAL A 40 -8.551 -11.575 -0.721 1.00 24.02 C ATOM 0 H VAL A 40 -6.717 -13.187 2.326 1.00 2.02 H new ATOM 0 HA VAL A 40 -6.051 -11.232 0.284 1.00 22.13 H new ATOM 0 HB VAL A 40 -7.553 -13.281 0.140 1.00 32.40 H new ATOM 0 HG11 VAL A 40 -9.820 -13.122 1.131 1.00 30.30 H new ATOM 0 HG12 VAL A 40 -8.565 -13.054 2.392 1.00 30.30 H new ATOM 0 HG13 VAL A 40 -9.386 -11.563 1.872 1.00 30.30 H new ATOM 0 HG21 VAL A 40 -9.368 -12.166 -1.134 1.00 24.02 H new ATOM 0 HG22 VAL A 40 -8.933 -10.609 -0.391 1.00 24.02 H new ATOM 0 HG23 VAL A 40 -7.791 -11.422 -1.487 1.00 24.02 H new ATOM 667 N PRO A 41 -7.089 -9.113 0.874 1.00 53.23 N ATOM 668 CA PRO A 41 -7.531 -7.763 1.300 1.00 44.31 C ATOM 669 C PRO A 41 -9.055 -7.652 1.243 1.00 63.23 C ATOM 670 O PRO A 41 -9.692 -8.164 0.343 1.00 72.42 O ATOM 671 CB PRO A 41 -6.876 -6.834 0.282 1.00 44.50 C ATOM 672 CG PRO A 41 -6.657 -7.688 -0.928 1.00 45.01 C ATOM 673 CD PRO A 41 -6.418 -9.089 -0.429 1.00 1.05 C ATOM 0 HA PRO A 41 -7.252 -7.526 2.327 1.00 44.31 H new ATOM 0 HB2 PRO A 41 -7.516 -5.982 0.054 1.00 44.50 H new ATOM 0 HB3 PRO A 41 -5.935 -6.434 0.659 1.00 44.50 H new ATOM 0 HG2 PRO A 41 -7.524 -7.654 -1.588 1.00 45.01 H new ATOM 0 HG3 PRO A 41 -5.804 -7.331 -1.505 1.00 45.01 H new ATOM 0 HD2 PRO A 41 -6.835 -9.833 -1.108 1.00 1.05 H new ATOM 0 HD3 PRO A 41 -5.354 -9.305 -0.335 1.00 1.05 H new ATOM 681 N GLU A 42 -9.649 -6.982 2.193 1.00 4.03 N ATOM 682 CA GLU A 42 -11.131 -6.837 2.188 1.00 10.20 C ATOM 683 C GLU A 42 -11.574 -6.039 0.961 1.00 21.32 C ATOM 684 O GLU A 42 -12.735 -6.028 0.602 1.00 32.41 O ATOM 685 CB GLU A 42 -11.466 -6.081 3.474 1.00 23.20 C ATOM 686 CG GLU A 42 -12.952 -6.255 3.794 1.00 3.42 C ATOM 687 CD GLU A 42 -13.504 -4.958 4.390 1.00 11.12 C ATOM 688 OE1 GLU A 42 -13.514 -3.963 3.685 1.00 73.13 O ATOM 689 OE2 GLU A 42 -13.909 -4.982 5.541 1.00 31.04 O ATOM 0 H GLU A 42 -9.171 -6.529 2.972 1.00 4.03 H new ATOM 0 HA GLU A 42 -11.641 -7.800 2.144 1.00 10.20 H new ATOM 0 HB2 GLU A 42 -10.859 -6.456 4.298 1.00 23.20 H new ATOM 0 HB3 GLU A 42 -11.229 -5.023 3.359 1.00 23.20 H new ATOM 0 HG2 GLU A 42 -13.501 -6.514 2.889 1.00 3.42 H new ATOM 0 HG3 GLU A 42 -13.089 -7.077 4.496 1.00 3.42 H new ATOM 696 N GLU A 43 -10.657 -5.378 0.306 1.00 41.12 N ATOM 697 CA GLU A 43 -11.030 -4.591 -0.903 1.00 53.25 C ATOM 698 C GLU A 43 -11.348 -5.542 -2.056 1.00 54.24 C ATOM 699 O GLU A 43 -12.288 -5.344 -2.800 1.00 62.11 O ATOM 700 CB GLU A 43 -9.798 -3.745 -1.226 1.00 20.20 C ATOM 701 CG GLU A 43 -9.468 -2.847 -0.033 1.00 72.23 C ATOM 702 CD GLU A 43 -10.188 -1.507 -0.186 1.00 21.34 C ATOM 703 OE1 GLU A 43 -11.394 -1.480 0.001 1.00 24.13 O ATOM 704 OE2 GLU A 43 -9.522 -0.530 -0.491 1.00 41.53 O ATOM 0 H GLU A 43 -9.668 -5.350 0.556 1.00 41.12 H new ATOM 0 HA GLU A 43 -11.911 -3.970 -0.742 1.00 53.25 H new ATOM 0 HB2 GLU A 43 -8.950 -4.391 -1.454 1.00 20.20 H new ATOM 0 HB3 GLU A 43 -9.983 -3.137 -2.112 1.00 20.20 H new ATOM 0 HG2 GLU A 43 -9.772 -3.331 0.895 1.00 72.23 H new ATOM 0 HG3 GLU A 43 -8.391 -2.688 0.029 1.00 72.23 H new ATOM 711 N LEU A 44 -10.572 -6.579 -2.204 1.00 34.15 N ATOM 712 CA LEU A 44 -10.829 -7.551 -3.300 1.00 23.41 C ATOM 713 C LEU A 44 -11.735 -8.676 -2.796 1.00 61.30 C ATOM 714 O LEU A 44 -12.647 -9.105 -3.476 1.00 12.24 O ATOM 715 CB LEU A 44 -9.454 -8.097 -3.682 1.00 71.01 C ATOM 716 CG LEU A 44 -9.289 -8.040 -5.199 1.00 74.23 C ATOM 717 CD1 LEU A 44 -10.285 -8.995 -5.854 1.00 10.24 C ATOM 718 CD2 LEU A 44 -9.560 -6.612 -5.686 1.00 51.21 C ATOM 0 H LEU A 44 -9.770 -6.795 -1.612 1.00 34.15 H new ATOM 0 HA LEU A 44 -11.331 -7.093 -4.152 1.00 23.41 H new ATOM 0 HB2 LEU A 44 -8.671 -7.513 -3.198 1.00 71.01 H new ATOM 0 HB3 LEU A 44 -9.348 -9.124 -3.332 1.00 71.01 H new ATOM 0 HG LEU A 44 -8.273 -8.332 -5.467 1.00 74.23 H new ATOM 0 HD11 LEU A 44 -10.169 -8.956 -6.937 1.00 10.24 H new ATOM 0 HD12 LEU A 44 -10.098 -10.011 -5.506 1.00 10.24 H new ATOM 0 HD13 LEU A 44 -11.300 -8.701 -5.587 1.00 10.24 H new ATOM 0 HD21 LEU A 44 -9.443 -6.568 -6.769 1.00 51.21 H new ATOM 0 HD22 LEU A 44 -10.577 -6.323 -5.419 1.00 51.21 H new ATOM 0 HD23 LEU A 44 -8.853 -5.927 -5.217 1.00 51.21 H new ATOM 730 N MET A 45 -11.494 -9.154 -1.607 1.00 61.41 N ATOM 731 CA MET A 45 -12.342 -10.247 -1.057 1.00 43.11 C ATOM 732 C MET A 45 -13.797 -9.774 -0.951 1.00 14.43 C ATOM 733 O MET A 45 -14.719 -10.565 -0.969 1.00 52.03 O ATOM 734 CB MET A 45 -11.766 -10.538 0.329 1.00 65.25 C ATOM 735 CG MET A 45 -12.756 -11.390 1.125 1.00 60.42 C ATOM 736 SD MET A 45 -13.249 -12.826 0.139 1.00 34.52 S ATOM 737 CE MET A 45 -11.935 -13.940 0.686 1.00 5.23 C ATOM 0 H MET A 45 -10.746 -8.834 -0.992 1.00 61.41 H new ATOM 0 HA MET A 45 -12.340 -11.135 -1.689 1.00 43.11 H new ATOM 0 HB2 MET A 45 -10.813 -11.060 0.236 1.00 65.25 H new ATOM 0 HB3 MET A 45 -11.568 -9.604 0.856 1.00 65.25 H new ATOM 0 HG2 MET A 45 -12.301 -11.717 2.060 1.00 60.42 H new ATOM 0 HG3 MET A 45 -13.633 -10.798 1.387 1.00 60.42 H new ATOM 0 HE1 MET A 45 -12.335 -14.948 0.795 1.00 5.23 H new ATOM 0 HE2 MET A 45 -11.132 -13.946 -0.051 1.00 5.23 H new ATOM 0 HE3 MET A 45 -11.544 -13.599 1.645 1.00 5.23 H new ATOM 747 N LYS A 46 -14.007 -8.490 -0.846 1.00 1.42 N ATOM 748 CA LYS A 46 -15.401 -7.970 -0.743 1.00 41.21 C ATOM 749 C LYS A 46 -16.247 -8.518 -1.896 1.00 14.02 C ATOM 750 O LYS A 46 -17.380 -8.912 -1.714 1.00 1.22 O ATOM 751 CB LYS A 46 -15.268 -6.450 -0.850 1.00 51.53 C ATOM 752 CG LYS A 46 -15.722 -5.804 0.461 1.00 20.42 C ATOM 753 CD LYS A 46 -17.128 -6.289 0.810 1.00 14.23 C ATOM 754 CE LYS A 46 -18.112 -5.118 0.720 1.00 32.03 C ATOM 755 NZ LYS A 46 -18.262 -4.842 -0.740 1.00 22.14 N ATOM 0 H LYS A 46 -13.275 -7.780 -0.827 1.00 1.42 H new ATOM 0 HA LYS A 46 -15.889 -8.269 0.185 1.00 41.21 H new ATOM 0 HB2 LYS A 46 -14.234 -6.179 -1.062 1.00 51.53 H new ATOM 0 HB3 LYS A 46 -15.871 -6.079 -1.679 1.00 51.53 H new ATOM 0 HG2 LYS A 46 -15.029 -6.058 1.263 1.00 20.42 H new ATOM 0 HG3 LYS A 46 -15.714 -4.718 0.365 1.00 20.42 H new ATOM 0 HD2 LYS A 46 -17.429 -7.084 0.128 1.00 14.23 H new ATOM 0 HD3 LYS A 46 -17.139 -6.710 1.815 1.00 14.23 H new ATOM 0 HE2 LYS A 46 -19.070 -5.373 1.173 1.00 32.03 H new ATOM 0 HE3 LYS A 46 -17.733 -4.244 1.249 1.00 32.03 H new ATOM 0 HZ1 LYS A 46 -19.075 -4.211 -0.892 1.00 22.14 H new ATOM 0 HZ2 LYS A 46 -17.398 -4.386 -1.098 1.00 22.14 H new ATOM 0 HZ3 LYS A 46 -18.417 -5.736 -1.248 1.00 22.14 H new ATOM 769 N GLY A 47 -15.698 -8.553 -3.080 1.00 21.24 N ATOM 770 CA GLY A 47 -16.465 -9.085 -4.240 1.00 3.52 C ATOM 771 C GLY A 47 -16.492 -10.610 -4.162 1.00 51.51 C ATOM 772 O GLY A 47 -17.513 -11.236 -4.355 1.00 55.51 O ATOM 0 H GLY A 47 -14.752 -8.236 -3.293 1.00 21.24 H new ATOM 0 HA2 GLY A 47 -17.481 -8.690 -4.233 1.00 3.52 H new ATOM 0 HA3 GLY A 47 -16.005 -8.764 -5.175 1.00 3.52 H new ATOM 776 N PHE A 48 -15.371 -11.215 -3.872 1.00 64.41 N ATOM 777 CA PHE A 48 -15.328 -12.700 -3.772 1.00 34.25 C ATOM 778 C PHE A 48 -16.202 -13.165 -2.604 1.00 52.25 C ATOM 779 O PHE A 48 -16.938 -14.125 -2.708 1.00 74.03 O ATOM 780 CB PHE A 48 -13.858 -13.035 -3.508 1.00 15.41 C ATOM 781 CG PHE A 48 -13.495 -14.317 -4.219 1.00 61.35 C ATOM 782 CD1 PHE A 48 -14.399 -15.385 -4.238 1.00 52.22 C ATOM 783 CD2 PHE A 48 -12.254 -14.436 -4.855 1.00 14.43 C ATOM 784 CE1 PHE A 48 -14.063 -16.575 -4.897 1.00 53.20 C ATOM 785 CE2 PHE A 48 -11.918 -15.626 -5.513 1.00 4.04 C ATOM 786 CZ PHE A 48 -12.822 -16.696 -5.534 1.00 4.51 C ATOM 0 H PHE A 48 -14.483 -10.743 -3.700 1.00 64.41 H new ATOM 0 HA PHE A 48 -15.701 -13.191 -4.671 1.00 34.25 H new ATOM 0 HB2 PHE A 48 -13.221 -12.222 -3.856 1.00 15.41 H new ATOM 0 HB3 PHE A 48 -13.685 -13.140 -2.437 1.00 15.41 H new ATOM 0 HD1 PHE A 48 -15.355 -15.292 -3.745 1.00 52.22 H new ATOM 0 HD2 PHE A 48 -11.557 -13.612 -4.838 1.00 14.43 H new ATOM 0 HE1 PHE A 48 -14.761 -17.399 -4.914 1.00 53.20 H new ATOM 0 HE2 PHE A 48 -10.961 -15.719 -6.005 1.00 4.04 H new ATOM 0 HZ PHE A 48 -12.562 -17.613 -6.041 1.00 4.51 H new ATOM 796 N GLY A 49 -16.122 -12.484 -1.491 1.00 74.53 N ATOM 797 CA GLY A 49 -16.943 -12.881 -0.315 1.00 44.24 C ATOM 798 C GLY A 49 -16.578 -14.304 0.099 1.00 43.23 C ATOM 799 O GLY A 49 -15.557 -14.540 0.714 1.00 54.41 O ATOM 0 H GLY A 49 -15.523 -11.671 -1.348 1.00 74.53 H new ATOM 0 HA2 GLY A 49 -16.769 -12.193 0.513 1.00 44.24 H new ATOM 0 HA3 GLY A 49 -18.003 -12.822 -0.561 1.00 44.24 H new ATOM 803 N GLN A 50 -17.399 -15.258 -0.236 1.00 42.34 N ATOM 804 CA GLN A 50 -17.092 -16.667 0.134 1.00 44.23 C ATOM 805 C GLN A 50 -16.699 -17.461 -1.114 1.00 41.14 C ATOM 806 O GLN A 50 -17.488 -17.615 -2.025 1.00 40.00 O ATOM 807 CB GLN A 50 -18.389 -17.209 0.735 1.00 3.43 C ATOM 808 CG GLN A 50 -18.156 -17.583 2.201 1.00 72.41 C ATOM 809 CD GLN A 50 -17.489 -16.414 2.927 1.00 22.31 C ATOM 810 OE1 GLN A 50 -16.749 -16.612 3.869 1.00 1.14 O ATOM 811 NE2 GLN A 50 -17.718 -15.193 2.525 1.00 72.34 N ATOM 0 H GLN A 50 -18.270 -15.123 -0.750 1.00 42.34 H new ATOM 0 HA GLN A 50 -16.260 -16.743 0.834 1.00 44.23 H new ATOM 0 HB2 GLN A 50 -19.177 -16.460 0.661 1.00 3.43 H new ATOM 0 HB3 GLN A 50 -18.725 -18.082 0.175 1.00 3.43 H new ATOM 0 HG2 GLN A 50 -19.104 -17.829 2.680 1.00 72.41 H new ATOM 0 HG3 GLN A 50 -17.527 -18.471 2.265 1.00 72.41 H new ATOM 0 HE21 GLN A 50 -18.339 -15.025 1.734 1.00 72.34 H new ATOM 0 HE22 GLN A 50 -17.276 -14.408 3.002 1.00 72.34 H new ATOM 820 N PRO A 51 -15.482 -17.937 -1.115 1.00 64.11 N ATOM 821 CA PRO A 51 -14.969 -18.719 -2.266 1.00 43.24 C ATOM 822 C PRO A 51 -15.619 -20.106 -2.318 1.00 62.22 C ATOM 823 O PRO A 51 -16.153 -20.591 -1.338 1.00 33.34 O ATOM 824 CB PRO A 51 -13.473 -18.831 -1.987 1.00 52.23 C ATOM 825 CG PRO A 51 -13.347 -18.679 -0.504 1.00 55.30 C ATOM 826 CD PRO A 51 -14.478 -17.792 -0.055 1.00 34.22 C ATOM 0 HA PRO A 51 -15.187 -18.251 -3.226 1.00 43.24 H new ATOM 0 HB2 PRO A 51 -13.079 -19.791 -2.321 1.00 52.23 H new ATOM 0 HB3 PRO A 51 -12.914 -18.057 -2.513 1.00 52.23 H new ATOM 0 HG2 PRO A 51 -13.399 -19.650 -0.011 1.00 55.30 H new ATOM 0 HG3 PRO A 51 -12.385 -18.239 -0.242 1.00 55.30 H new ATOM 0 HD2 PRO A 51 -14.871 -18.104 0.913 1.00 34.22 H new ATOM 0 HD3 PRO A 51 -14.156 -16.756 0.051 1.00 34.22 H new ATOM 834 N GLN A 52 -15.572 -20.749 -3.454 1.00 74.11 N ATOM 835 CA GLN A 52 -16.179 -22.106 -3.577 1.00 73.34 C ATOM 836 C GLN A 52 -15.178 -23.067 -4.220 1.00 41.42 C ATOM 837 O GLN A 52 -14.264 -22.658 -4.906 1.00 1.41 O ATOM 838 CB GLN A 52 -17.396 -21.914 -4.483 1.00 23.20 C ATOM 839 CG GLN A 52 -18.254 -20.764 -3.951 1.00 74.01 C ATOM 840 CD GLN A 52 -18.735 -21.099 -2.537 1.00 74.41 C ATOM 841 OE1 GLN A 52 -18.867 -22.255 -2.185 1.00 1.24 O ATOM 842 NE2 GLN A 52 -19.004 -20.130 -1.706 1.00 62.51 N ATOM 0 H GLN A 52 -15.138 -20.391 -4.305 1.00 74.11 H new ATOM 0 HA GLN A 52 -16.455 -22.529 -2.611 1.00 73.34 H new ATOM 0 HB2 GLN A 52 -17.074 -21.700 -5.502 1.00 23.20 H new ATOM 0 HB3 GLN A 52 -17.983 -22.832 -4.521 1.00 23.20 H new ATOM 0 HG2 GLN A 52 -17.677 -19.840 -3.941 1.00 74.01 H new ATOM 0 HG3 GLN A 52 -19.108 -20.599 -4.608 1.00 74.01 H new ATOM 0 HE21 GLN A 52 -18.893 -19.160 -2.001 1.00 62.51 H new ATOM 0 HE22 GLN A 52 -19.325 -20.343 -0.761 1.00 62.51 H new ATOM 851 N LEU A 53 -15.337 -24.344 -4.004 1.00 73.52 N ATOM 852 CA LEU A 53 -14.384 -25.324 -4.601 1.00 71.34 C ATOM 853 C LEU A 53 -14.810 -25.681 -6.030 1.00 74.34 C ATOM 854 O LEU A 53 -15.755 -26.411 -6.243 1.00 65.13 O ATOM 855 CB LEU A 53 -14.461 -26.554 -3.696 1.00 75.15 C ATOM 856 CG LEU A 53 -13.065 -27.148 -3.513 1.00 1.31 C ATOM 857 CD1 LEU A 53 -12.460 -27.462 -4.882 1.00 25.41 C ATOM 858 CD2 LEU A 53 -12.173 -26.139 -2.784 1.00 24.41 C ATOM 0 H LEU A 53 -16.084 -24.751 -3.441 1.00 73.52 H new ATOM 0 HA LEU A 53 -13.371 -24.926 -4.664 1.00 71.34 H new ATOM 0 HB2 LEU A 53 -14.879 -26.279 -2.728 1.00 75.15 H new ATOM 0 HB3 LEU A 53 -15.128 -27.297 -4.132 1.00 75.15 H new ATOM 0 HG LEU A 53 -13.135 -28.064 -2.927 1.00 1.31 H new ATOM 0 HD11 LEU A 53 -11.464 -27.886 -4.751 1.00 25.41 H new ATOM 0 HD12 LEU A 53 -13.094 -28.179 -5.404 1.00 25.41 H new ATOM 0 HD13 LEU A 53 -12.390 -26.545 -5.468 1.00 25.41 H new ATOM 0 HD21 LEU A 53 -11.177 -26.562 -2.653 1.00 24.41 H new ATOM 0 HD22 LEU A 53 -12.104 -25.223 -3.371 1.00 24.41 H new ATOM 0 HD23 LEU A 53 -12.602 -25.913 -1.808 1.00 24.41 H new ATOM 870 N ALA A 54 -14.110 -25.173 -7.008 1.00 1.22 N ATOM 871 CA ALA A 54 -14.468 -25.485 -8.421 1.00 25.11 C ATOM 872 C ALA A 54 -13.462 -26.480 -9.009 1.00 51.51 C ATOM 873 O ALA A 54 -13.829 -27.430 -9.672 1.00 5.40 O ATOM 874 CB ALA A 54 -14.389 -24.148 -9.155 1.00 71.34 C ATOM 0 H ALA A 54 -13.306 -24.556 -6.890 1.00 1.22 H new ATOM 0 HA ALA A 54 -15.455 -25.938 -8.508 1.00 25.11 H new ATOM 0 HB1 ALA A 54 -14.640 -24.294 -10.206 1.00 71.34 H new ATOM 0 HB2 ALA A 54 -15.093 -23.446 -8.708 1.00 71.34 H new ATOM 0 HB3 ALA A 54 -13.378 -23.749 -9.076 1.00 71.34 H new ATOM 880 N MET A 55 -12.197 -26.272 -8.761 1.00 31.32 N ATOM 881 CA MET A 55 -11.166 -27.203 -9.298 1.00 52.43 C ATOM 882 C MET A 55 -9.961 -27.249 -8.355 1.00 34.13 C ATOM 883 O MET A 55 -9.443 -26.229 -7.946 1.00 54.43 O ATOM 884 CB MET A 55 -10.765 -26.618 -10.652 1.00 25.50 C ATOM 885 CG MET A 55 -11.034 -27.650 -11.751 1.00 71.42 C ATOM 886 SD MET A 55 -12.599 -27.260 -12.573 1.00 53.34 S ATOM 887 CE MET A 55 -11.899 -26.352 -13.973 1.00 44.32 C ATOM 0 H MET A 55 -11.833 -25.496 -8.208 1.00 31.32 H new ATOM 0 HA MET A 55 -11.539 -28.223 -9.393 1.00 52.43 H new ATOM 0 HB2 MET A 55 -11.329 -25.706 -10.848 1.00 25.50 H new ATOM 0 HB3 MET A 55 -9.710 -26.345 -10.645 1.00 25.50 H new ATOM 0 HG2 MET A 55 -10.220 -27.647 -12.475 1.00 71.42 H new ATOM 0 HG3 MET A 55 -11.075 -28.651 -11.322 1.00 71.42 H new ATOM 0 HE1 MET A 55 -12.704 -26.011 -14.625 1.00 44.32 H new ATOM 0 HE2 MET A 55 -11.340 -25.491 -13.606 1.00 44.32 H new ATOM 0 HE3 MET A 55 -11.231 -27.006 -14.533 1.00 44.32 H new ATOM 897 N ILE A 56 -9.514 -28.423 -8.003 1.00 2.15 N ATOM 898 CA ILE A 56 -8.346 -28.529 -7.084 1.00 65.22 C ATOM 899 C ILE A 56 -7.079 -28.881 -7.866 1.00 22.03 C ATOM 900 O ILE A 56 -7.031 -29.860 -8.583 1.00 54.32 O ATOM 901 CB ILE A 56 -8.705 -29.656 -6.117 1.00 12.23 C ATOM 902 CG1 ILE A 56 -9.961 -29.271 -5.333 1.00 31.04 C ATOM 903 CG2 ILE A 56 -7.547 -29.882 -5.143 1.00 11.52 C ATOM 904 CD1 ILE A 56 -10.377 -30.432 -4.430 1.00 53.31 C ATOM 0 H ILE A 56 -9.907 -29.312 -8.312 1.00 2.15 H new ATOM 0 HA ILE A 56 -8.146 -27.591 -6.566 1.00 65.22 H new ATOM 0 HB ILE A 56 -8.891 -30.572 -6.679 1.00 12.23 H new ATOM 0 HG12 ILE A 56 -9.769 -28.381 -4.733 1.00 31.04 H new ATOM 0 HG13 ILE A 56 -10.770 -29.024 -6.021 1.00 31.04 H new ATOM 0 HG21 ILE A 56 -7.803 -30.686 -4.453 1.00 11.52 H new ATOM 0 HG22 ILE A 56 -6.651 -30.154 -5.700 1.00 11.52 H new ATOM 0 HG23 ILE A 56 -7.361 -28.967 -4.581 1.00 11.52 H new ATOM 0 HD11 ILE A 56 -11.272 -30.156 -3.872 1.00 53.31 H new ATOM 0 HD12 ILE A 56 -10.586 -31.311 -5.040 1.00 53.31 H new ATOM 0 HD13 ILE A 56 -9.570 -30.658 -3.733 1.00 53.31 H new ATOM 916 N LEU A 57 -6.050 -28.091 -7.728 1.00 31.23 N ATOM 917 CA LEU A 57 -4.782 -28.380 -8.458 1.00 22.12 C ATOM 918 C LEU A 57 -3.909 -29.333 -7.632 1.00 74.22 C ATOM 919 O LEU A 57 -3.533 -29.024 -6.518 1.00 30.43 O ATOM 920 CB LEU A 57 -4.108 -27.017 -8.619 1.00 32.33 C ATOM 921 CG LEU A 57 -2.612 -27.202 -8.898 1.00 4.41 C ATOM 922 CD1 LEU A 57 -2.414 -28.300 -9.947 1.00 44.24 C ATOM 923 CD2 LEU A 57 -2.026 -25.891 -9.421 1.00 11.53 C ATOM 0 H LEU A 57 -6.032 -27.257 -7.141 1.00 31.23 H new ATOM 0 HA LEU A 57 -4.949 -28.864 -9.420 1.00 22.12 H new ATOM 0 HB2 LEU A 57 -4.573 -26.466 -9.436 1.00 32.33 H new ATOM 0 HB3 LEU A 57 -4.247 -26.424 -7.715 1.00 32.33 H new ATOM 0 HG LEU A 57 -2.106 -27.487 -7.975 1.00 4.41 H new ATOM 0 HD11 LEU A 57 -1.349 -28.429 -10.143 1.00 44.24 H new ATOM 0 HD12 LEU A 57 -2.831 -29.237 -9.576 1.00 44.24 H new ATOM 0 HD13 LEU A 57 -2.921 -28.017 -10.870 1.00 44.24 H new ATOM 0 HD21 LEU A 57 -0.962 -26.022 -9.620 1.00 11.53 H new ATOM 0 HD22 LEU A 57 -2.535 -25.607 -10.342 1.00 11.53 H new ATOM 0 HD23 LEU A 57 -2.162 -25.108 -8.675 1.00 11.53 H new ATOM 935 N PRO A 58 -3.622 -30.469 -8.209 1.00 22.12 N ATOM 936 CA PRO A 58 -2.792 -31.493 -7.524 1.00 32.24 C ATOM 937 C PRO A 58 -1.331 -31.042 -7.424 1.00 73.11 C ATOM 938 O PRO A 58 -0.953 -29.996 -7.916 1.00 2.21 O ATOM 939 CB PRO A 58 -2.921 -32.718 -8.425 1.00 22.03 C ATOM 940 CG PRO A 58 -3.261 -32.170 -9.773 1.00 50.03 C ATOM 941 CD PRO A 58 -4.038 -30.903 -9.545 1.00 73.20 C ATOM 0 HA PRO A 58 -3.114 -31.681 -6.500 1.00 32.24 H new ATOM 0 HB2 PRO A 58 -1.992 -33.287 -8.453 1.00 22.03 H new ATOM 0 HB3 PRO A 58 -3.698 -33.393 -8.065 1.00 22.03 H new ATOM 0 HG2 PRO A 58 -2.357 -31.971 -10.348 1.00 50.03 H new ATOM 0 HG3 PRO A 58 -3.850 -32.887 -10.344 1.00 50.03 H new ATOM 0 HD2 PRO A 58 -3.806 -30.151 -10.299 1.00 73.20 H new ATOM 0 HD3 PRO A 58 -5.113 -31.080 -9.591 1.00 73.20 H new ATOM 949 N LEU A 59 -0.510 -31.833 -6.790 1.00 73.01 N ATOM 950 CA LEU A 59 0.934 -31.476 -6.648 1.00 21.11 C ATOM 951 C LEU A 59 1.803 -32.514 -7.359 1.00 44.11 C ATOM 952 O LEU A 59 2.538 -33.253 -6.734 1.00 33.15 O ATOM 953 CB LEU A 59 1.226 -31.485 -5.142 1.00 64.01 C ATOM 954 CG LEU A 59 0.411 -32.580 -4.441 1.00 55.15 C ATOM 955 CD1 LEU A 59 0.820 -33.954 -4.974 1.00 4.11 C ATOM 956 CD2 LEU A 59 0.671 -32.524 -2.934 1.00 73.35 C ATOM 0 H LEU A 59 -0.778 -32.718 -6.360 1.00 73.01 H new ATOM 0 HA LEU A 59 1.152 -30.505 -7.092 1.00 21.11 H new ATOM 0 HB2 LEU A 59 2.290 -31.652 -4.973 1.00 64.01 H new ATOM 0 HB3 LEU A 59 0.984 -30.513 -4.713 1.00 64.01 H new ATOM 0 HG LEU A 59 -0.649 -32.418 -4.637 1.00 55.15 H new ATOM 0 HD11 LEU A 59 0.238 -34.727 -4.472 1.00 4.11 H new ATOM 0 HD12 LEU A 59 0.634 -33.998 -6.047 1.00 4.11 H new ATOM 0 HD13 LEU A 59 1.881 -34.117 -4.783 1.00 4.11 H new ATOM 0 HD21 LEU A 59 0.092 -33.302 -2.436 1.00 73.35 H new ATOM 0 HD22 LEU A 59 1.732 -32.682 -2.742 1.00 73.35 H new ATOM 0 HD23 LEU A 59 0.374 -31.548 -2.550 1.00 73.35 H new ATOM 1090 N ASN A 67 -6.216 -19.692 -17.112 1.00 64.00 N ATOM 1091 CA ASN A 67 -6.606 -18.368 -16.551 1.00 51.13 C ATOM 1092 C ASN A 67 -5.446 -17.775 -15.746 1.00 30.44 C ATOM 1093 O ASN A 67 -4.924 -16.729 -16.075 1.00 43.01 O ATOM 1094 CB ASN A 67 -7.802 -18.661 -15.645 1.00 54.42 C ATOM 1095 CG ASN A 67 -8.906 -19.338 -16.462 1.00 22.21 C ATOM 1096 OD1 ASN A 67 -9.032 -19.100 -17.646 1.00 32.01 O ATOM 1097 ND2 ASN A 67 -9.717 -20.175 -15.876 1.00 62.13 N ATOM 0 HA ASN A 67 -6.854 -17.643 -17.327 1.00 51.13 H new ATOM 0 HB2 ASN A 67 -7.498 -19.305 -14.820 1.00 54.42 H new ATOM 0 HB3 ASN A 67 -8.175 -17.736 -15.206 1.00 54.42 H new ATOM 0 HD21 ASN A 67 -10.456 -20.629 -16.412 1.00 62.13 H new ATOM 0 HD22 ASN A 67 -9.612 -20.375 -14.881 1.00 62.13 H new ATOM 1104 N ALA A 68 -5.035 -18.433 -14.695 1.00 2.34 N ATOM 1105 CA ALA A 68 -3.907 -17.901 -13.878 1.00 63.12 C ATOM 1106 C ALA A 68 -2.663 -18.764 -14.071 1.00 41.43 C ATOM 1107 O ALA A 68 -2.750 -19.935 -14.386 1.00 30.12 O ATOM 1108 CB ALA A 68 -4.394 -17.984 -12.433 1.00 44.33 C ATOM 0 H ALA A 68 -5.431 -19.314 -14.368 1.00 2.34 H new ATOM 0 HA ALA A 68 -3.636 -16.884 -14.161 1.00 63.12 H new ATOM 0 HB1 ALA A 68 -3.618 -17.609 -11.765 1.00 44.33 H new ATOM 0 HB2 ALA A 68 -5.294 -17.381 -12.317 1.00 44.33 H new ATOM 0 HB3 ALA A 68 -4.618 -19.021 -12.183 1.00 44.33 H new ATOM 1114 N ASP A 69 -1.504 -18.201 -13.874 1.00 64.02 N ATOM 1115 CA ASP A 69 -0.261 -19.000 -14.040 1.00 53.44 C ATOM 1116 C ASP A 69 0.146 -19.601 -12.697 1.00 71.24 C ATOM 1117 O ASP A 69 0.564 -18.907 -11.791 1.00 53.24 O ATOM 1118 CB ASP A 69 0.791 -18.007 -14.527 1.00 1.14 C ATOM 1119 CG ASP A 69 0.572 -17.720 -16.015 1.00 15.32 C ATOM 1120 OD1 ASP A 69 0.697 -18.646 -16.799 1.00 44.50 O ATOM 1121 OD2 ASP A 69 0.287 -16.581 -16.343 1.00 12.23 O ATOM 0 H ASP A 69 -1.365 -17.227 -13.606 1.00 64.02 H new ATOM 0 HA ASP A 69 -0.386 -19.826 -14.740 1.00 53.44 H new ATOM 0 HB2 ASP A 69 0.726 -17.082 -13.954 1.00 1.14 H new ATOM 0 HB3 ASP A 69 1.790 -18.412 -14.367 1.00 1.14 H new ATOM 1126 N ILE A 70 0.020 -20.890 -12.564 1.00 4.43 N ATOM 1127 CA ILE A 70 0.391 -21.551 -11.282 1.00 32.23 C ATOM 1128 C ILE A 70 1.725 -20.990 -10.768 1.00 42.53 C ATOM 1129 O ILE A 70 1.984 -20.967 -9.582 1.00 24.31 O ATOM 1130 CB ILE A 70 0.484 -23.048 -11.632 1.00 4.40 C ATOM 1131 CG1 ILE A 70 -0.143 -23.872 -10.504 1.00 52.43 C ATOM 1132 CG2 ILE A 70 1.945 -23.481 -11.824 1.00 72.22 C ATOM 1133 CD1 ILE A 70 0.477 -23.471 -9.164 1.00 32.53 C ATOM 0 H ILE A 70 -0.325 -21.518 -13.290 1.00 4.43 H new ATOM 0 HA ILE A 70 -0.330 -21.378 -10.483 1.00 32.23 H new ATOM 0 HB ILE A 70 -0.052 -23.217 -12.566 1.00 4.40 H new ATOM 0 HG12 ILE A 70 -1.221 -23.711 -10.479 1.00 52.43 H new ATOM 0 HG13 ILE A 70 0.016 -24.935 -10.686 1.00 52.43 H new ATOM 0 HG21 ILE A 70 1.981 -24.542 -12.070 1.00 72.22 H new ATOM 0 HG22 ILE A 70 2.392 -22.905 -12.635 1.00 72.22 H new ATOM 0 HG23 ILE A 70 2.501 -23.303 -10.904 1.00 72.22 H new ATOM 0 HD11 ILE A 70 0.028 -24.060 -8.364 1.00 32.53 H new ATOM 0 HD12 ILE A 70 1.551 -23.655 -9.191 1.00 32.53 H new ATOM 0 HD13 ILE A 70 0.295 -22.412 -8.981 1.00 32.53 H new ATOM 1145 N GLU A 71 2.571 -20.540 -11.651 1.00 21.51 N ATOM 1146 CA GLU A 71 3.882 -19.982 -11.210 1.00 62.52 C ATOM 1147 C GLU A 71 3.672 -18.661 -10.466 1.00 52.00 C ATOM 1148 O GLU A 71 4.162 -18.469 -9.371 1.00 40.02 O ATOM 1149 CB GLU A 71 4.669 -19.752 -12.501 1.00 3.14 C ATOM 1150 CG GLU A 71 4.840 -21.082 -13.239 1.00 24.31 C ATOM 1151 CD GLU A 71 4.025 -21.055 -14.534 1.00 63.51 C ATOM 1152 OE1 GLU A 71 3.084 -20.283 -14.602 1.00 44.04 O ATOM 1153 OE2 GLU A 71 4.356 -21.809 -15.434 1.00 44.31 O ATOM 0 H GLU A 71 2.413 -20.534 -12.659 1.00 21.51 H new ATOM 0 HA GLU A 71 4.406 -20.650 -10.527 1.00 62.52 H new ATOM 0 HB2 GLU A 71 4.146 -19.037 -13.136 1.00 3.14 H new ATOM 0 HB3 GLU A 71 5.645 -19.322 -12.273 1.00 3.14 H new ATOM 0 HG2 GLU A 71 5.893 -21.253 -13.463 1.00 24.31 H new ATOM 0 HG3 GLU A 71 4.510 -21.906 -12.606 1.00 24.31 H new ATOM 1160 N LYS A 72 2.948 -17.749 -11.054 1.00 50.13 N ATOM 1161 CA LYS A 72 2.707 -16.439 -10.384 1.00 53.41 C ATOM 1162 C LYS A 72 1.999 -16.647 -9.041 1.00 21.31 C ATOM 1163 O LYS A 72 1.930 -15.751 -8.221 1.00 4.25 O ATOM 1164 CB LYS A 72 1.807 -15.667 -11.349 1.00 0.22 C ATOM 1165 CG LYS A 72 2.653 -14.687 -12.161 1.00 2.52 C ATOM 1166 CD LYS A 72 2.068 -13.279 -12.032 1.00 2.41 C ATOM 1167 CE LYS A 72 3.202 -12.251 -12.018 1.00 22.02 C ATOM 1168 NZ LYS A 72 3.375 -11.842 -13.442 1.00 23.11 N ATOM 0 H LYS A 72 2.512 -17.854 -11.970 1.00 50.13 H new ATOM 0 HA LYS A 72 3.635 -15.908 -10.171 1.00 53.41 H new ATOM 0 HB2 LYS A 72 1.293 -16.359 -12.016 1.00 0.22 H new ATOM 0 HB3 LYS A 72 1.039 -15.128 -10.794 1.00 0.22 H new ATOM 0 HG2 LYS A 72 3.683 -14.698 -11.805 1.00 2.52 H new ATOM 0 HG3 LYS A 72 2.674 -14.989 -13.208 1.00 2.52 H new ATOM 0 HD2 LYS A 72 1.392 -13.078 -12.863 1.00 2.41 H new ATOM 0 HD3 LYS A 72 1.481 -13.201 -11.117 1.00 2.41 H new ATOM 0 HE2 LYS A 72 2.951 -11.396 -11.390 1.00 22.02 H new ATOM 0 HE3 LYS A 72 4.120 -12.682 -11.618 1.00 22.02 H new ATOM 0 HZ1 LYS A 72 4.137 -11.137 -13.511 1.00 23.11 H new ATOM 0 HZ2 LYS A 72 3.621 -12.675 -14.015 1.00 23.11 H new ATOM 0 HZ3 LYS A 72 2.488 -11.428 -13.795 1.00 23.11 H new ATOM 1182 N VAL A 73 1.469 -17.817 -8.808 1.00 34.31 N ATOM 1183 CA VAL A 73 0.765 -18.069 -7.517 1.00 11.23 C ATOM 1184 C VAL A 73 1.747 -18.599 -6.466 1.00 3.20 C ATOM 1185 O VAL A 73 1.529 -18.466 -5.280 1.00 23.41 O ATOM 1186 CB VAL A 73 -0.292 -19.127 -7.848 1.00 23.04 C ATOM 1187 CG1 VAL A 73 -1.144 -19.403 -6.607 1.00 12.13 C ATOM 1188 CG2 VAL A 73 -1.190 -18.615 -8.977 1.00 65.23 C ATOM 0 H VAL A 73 1.492 -18.607 -9.453 1.00 34.31 H new ATOM 0 HA VAL A 73 0.324 -17.162 -7.103 1.00 11.23 H new ATOM 0 HB VAL A 73 0.201 -20.047 -8.163 1.00 23.04 H new ATOM 0 HG11 VAL A 73 -1.896 -20.156 -6.842 1.00 12.13 H new ATOM 0 HG12 VAL A 73 -0.506 -19.767 -5.801 1.00 12.13 H new ATOM 0 HG13 VAL A 73 -1.637 -18.483 -6.292 1.00 12.13 H new ATOM 0 HG21 VAL A 73 -1.942 -19.367 -9.213 1.00 65.23 H new ATOM 0 HG22 VAL A 73 -1.683 -17.696 -8.661 1.00 65.23 H new ATOM 0 HG23 VAL A 73 -0.585 -18.417 -9.862 1.00 65.23 H new ATOM 1198 N LYS A 74 2.826 -19.198 -6.890 1.00 62.02 N ATOM 1199 CA LYS A 74 3.815 -19.734 -5.909 1.00 55.01 C ATOM 1200 C LYS A 74 4.343 -18.610 -5.012 1.00 13.15 C ATOM 1201 O LYS A 74 4.342 -18.716 -3.801 1.00 41.25 O ATOM 1202 CB LYS A 74 4.946 -20.314 -6.760 1.00 24.12 C ATOM 1203 CG LYS A 74 4.398 -21.439 -7.637 1.00 23.23 C ATOM 1204 CD LYS A 74 3.771 -22.517 -6.752 1.00 71.24 C ATOM 1205 CE LYS A 74 2.245 -22.429 -6.840 1.00 62.22 C ATOM 1206 NZ LYS A 74 1.763 -23.804 -6.534 1.00 33.30 N ATOM 0 H LYS A 74 3.066 -19.340 -7.871 1.00 62.02 H new ATOM 0 HA LYS A 74 3.373 -20.482 -5.251 1.00 55.01 H new ATOM 0 HB2 LYS A 74 5.384 -19.534 -7.382 1.00 24.12 H new ATOM 0 HB3 LYS A 74 5.741 -20.693 -6.118 1.00 24.12 H new ATOM 0 HG2 LYS A 74 3.655 -21.045 -8.330 1.00 23.23 H new ATOM 0 HG3 LYS A 74 5.199 -21.868 -8.239 1.00 23.23 H new ATOM 0 HD2 LYS A 74 4.108 -23.504 -7.070 1.00 71.24 H new ATOM 0 HD3 LYS A 74 4.094 -22.387 -5.719 1.00 71.24 H new ATOM 0 HE2 LYS A 74 1.849 -21.704 -6.128 1.00 62.22 H new ATOM 0 HE3 LYS A 74 1.924 -22.110 -7.832 1.00 62.22 H new ATOM 0 HZ1 LYS A 74 0.724 -23.806 -6.491 1.00 33.30 H new ATOM 0 HZ2 LYS A 74 2.080 -24.457 -7.279 1.00 33.30 H new ATOM 0 HZ3 LYS A 74 2.148 -24.111 -5.618 1.00 33.30 H new ATOM 1220 N GLN A 75 4.799 -17.536 -5.596 1.00 42.24 N ATOM 1221 CA GLN A 75 5.330 -16.409 -4.781 1.00 62.42 C ATOM 1222 C GLN A 75 4.239 -15.867 -3.854 1.00 34.10 C ATOM 1223 O GLN A 75 4.506 -15.121 -2.932 1.00 12.33 O ATOM 1224 CB GLN A 75 5.753 -15.346 -5.794 1.00 75.12 C ATOM 1225 CG GLN A 75 4.543 -14.925 -6.631 1.00 13.12 C ATOM 1226 CD GLN A 75 3.812 -13.778 -5.932 1.00 3.31 C ATOM 1227 OE1 GLN A 75 4.391 -12.743 -5.671 1.00 24.20 O ATOM 1228 NE2 GLN A 75 2.553 -13.921 -5.618 1.00 73.43 N ATOM 0 H GLN A 75 4.826 -17.391 -6.605 1.00 42.24 H new ATOM 0 HA GLN A 75 6.161 -16.716 -4.147 1.00 62.42 H new ATOM 0 HB2 GLN A 75 6.169 -14.481 -5.277 1.00 75.12 H new ATOM 0 HB3 GLN A 75 6.537 -15.738 -6.442 1.00 75.12 H new ATOM 0 HG2 GLN A 75 4.866 -14.613 -7.624 1.00 13.12 H new ATOM 0 HG3 GLN A 75 3.869 -15.771 -6.766 1.00 13.12 H new ATOM 0 HE21 GLN A 75 2.068 -14.791 -5.838 1.00 73.43 H new ATOM 0 HE22 GLN A 75 2.054 -13.163 -5.153 1.00 73.43 H new ATOM 1237 N ALA A 76 3.012 -16.237 -4.093 1.00 70.12 N ATOM 1238 CA ALA A 76 1.904 -15.744 -3.227 1.00 42.43 C ATOM 1239 C ALA A 76 1.624 -16.750 -2.106 1.00 70.22 C ATOM 1240 O ALA A 76 1.500 -16.389 -0.953 1.00 44.04 O ATOM 1241 CB ALA A 76 0.698 -15.627 -4.154 1.00 65.42 C ATOM 0 H ALA A 76 2.728 -16.859 -4.850 1.00 70.12 H new ATOM 0 HA ALA A 76 2.144 -14.794 -2.750 1.00 42.43 H new ATOM 0 HB1 ALA A 76 -0.162 -15.268 -3.589 1.00 65.42 H new ATOM 0 HB2 ALA A 76 0.923 -14.925 -4.957 1.00 65.42 H new ATOM 0 HB3 ALA A 76 0.470 -16.604 -4.580 1.00 65.42 H new ATOM 1247 N LEU A 77 1.519 -18.007 -2.436 1.00 41.24 N ATOM 1248 CA LEU A 77 1.244 -19.030 -1.385 1.00 21.24 C ATOM 1249 C LEU A 77 2.507 -19.299 -0.564 1.00 32.14 C ATOM 1250 O LEU A 77 2.441 -19.765 0.556 1.00 23.11 O ATOM 1251 CB LEU A 77 0.824 -20.286 -2.149 1.00 64.04 C ATOM 1252 CG LEU A 77 -0.270 -19.933 -3.157 1.00 62.31 C ATOM 1253 CD1 LEU A 77 -0.851 -21.216 -3.753 1.00 54.53 C ATOM 1254 CD2 LEU A 77 -1.380 -19.151 -2.447 1.00 2.12 C ATOM 0 H LEU A 77 1.611 -18.371 -3.384 1.00 41.24 H new ATOM 0 HA LEU A 77 0.474 -18.703 -0.686 1.00 21.24 H new ATOM 0 HB2 LEU A 77 1.683 -20.714 -2.665 1.00 64.04 H new ATOM 0 HB3 LEU A 77 0.461 -21.042 -1.453 1.00 64.04 H new ATOM 0 HG LEU A 77 0.153 -19.324 -3.955 1.00 62.31 H new ATOM 0 HD11 LEU A 77 -1.631 -20.963 -4.471 1.00 54.53 H new ATOM 0 HD12 LEU A 77 -0.061 -21.774 -4.256 1.00 54.53 H new ATOM 0 HD13 LEU A 77 -1.276 -21.827 -2.957 1.00 54.53 H new ATOM 0 HD21 LEU A 77 -2.162 -18.898 -3.163 1.00 2.12 H new ATOM 0 HD22 LEU A 77 -1.803 -19.762 -1.649 1.00 2.12 H new ATOM 0 HD23 LEU A 77 -0.966 -18.236 -2.023 1.00 2.12 H new ATOM 1266 N THR A 78 3.655 -19.008 -1.109 1.00 1.24 N ATOM 1267 CA THR A 78 4.919 -19.247 -0.354 1.00 45.02 C ATOM 1268 C THR A 78 5.196 -18.079 0.598 1.00 63.33 C ATOM 1269 O THR A 78 5.764 -18.251 1.657 1.00 15.01 O ATOM 1270 CB THR A 78 6.008 -19.347 -1.427 1.00 21.12 C ATOM 1271 OG1 THR A 78 7.167 -19.947 -0.866 1.00 75.01 O ATOM 1272 CG2 THR A 78 6.353 -17.951 -1.948 1.00 34.03 C ATOM 0 H THR A 78 3.774 -18.616 -2.043 1.00 1.24 H new ATOM 0 HA THR A 78 4.873 -20.146 0.260 1.00 45.02 H new ATOM 0 HB THR A 78 5.645 -19.956 -2.255 1.00 21.12 H new ATOM 0 HG1 THR A 78 7.865 -20.014 -1.551 1.00 75.01 H new ATOM 0 HG21 THR A 78 7.128 -18.029 -2.711 1.00 34.03 H new ATOM 0 HG22 THR A 78 5.463 -17.494 -2.380 1.00 34.03 H new ATOM 0 HG23 THR A 78 6.714 -17.335 -1.125 1.00 34.03 H new ATOM 1280 N GLU A 79 4.795 -16.892 0.230 1.00 24.33 N ATOM 1281 CA GLU A 79 5.033 -15.717 1.112 1.00 54.43 C ATOM 1282 C GLU A 79 3.792 -15.439 1.966 1.00 73.44 C ATOM 1283 O GLU A 79 3.889 -15.152 3.144 1.00 50.22 O ATOM 1284 CB GLU A 79 5.300 -14.552 0.159 1.00 5.33 C ATOM 1285 CG GLU A 79 6.706 -14.692 -0.431 1.00 2.11 C ATOM 1286 CD GLU A 79 7.657 -13.728 0.278 1.00 53.51 C ATOM 1287 OE1 GLU A 79 7.368 -12.542 0.293 1.00 3.13 O ATOM 1288 OE2 GLU A 79 8.661 -14.190 0.796 1.00 1.05 O ATOM 0 H GLU A 79 4.312 -16.687 -0.645 1.00 24.33 H new ATOM 0 HA GLU A 79 5.863 -15.878 1.800 1.00 54.43 H new ATOM 0 HB2 GLU A 79 4.558 -14.543 -0.639 1.00 5.33 H new ATOM 0 HB3 GLU A 79 5.209 -13.605 0.690 1.00 5.33 H new ATOM 0 HG2 GLU A 79 7.059 -15.717 -0.317 1.00 2.11 H new ATOM 0 HG3 GLU A 79 6.686 -14.479 -1.500 1.00 2.11 H new ATOM 1295 N GLN A 80 2.629 -15.528 1.383 1.00 54.34 N ATOM 1296 CA GLN A 80 1.382 -15.276 2.163 1.00 11.43 C ATOM 1297 C GLN A 80 0.624 -16.588 2.360 1.00 33.34 C ATOM 1298 O GLN A 80 0.418 -17.042 3.467 1.00 53.21 O ATOM 1299 CB GLN A 80 0.540 -14.317 1.313 1.00 13.11 C ATOM 1300 CG GLN A 80 1.436 -13.292 0.610 1.00 42.11 C ATOM 1301 CD GLN A 80 0.616 -12.556 -0.450 1.00 41.20 C ATOM 1302 OE1 GLN A 80 0.689 -11.348 -0.559 1.00 42.10 O ATOM 1303 NE2 GLN A 80 -0.169 -13.238 -1.240 1.00 74.00 N ATOM 0 H GLN A 80 2.487 -15.764 0.401 1.00 54.34 H new ATOM 0 HA GLN A 80 1.599 -14.859 3.146 1.00 11.43 H new ATOM 0 HB2 GLN A 80 -0.027 -14.881 0.572 1.00 13.11 H new ATOM 0 HB3 GLN A 80 -0.184 -13.803 1.945 1.00 13.11 H new ATOM 0 HG2 GLN A 80 1.837 -12.583 1.335 1.00 42.11 H new ATOM 0 HG3 GLN A 80 2.287 -13.791 0.147 1.00 42.11 H new ATOM 0 HE21 GLN A 80 -0.229 -14.252 -1.148 1.00 74.00 H new ATOM 0 HE22 GLN A 80 -0.722 -12.757 -1.949 1.00 74.00 H new ATOM 1312 N GLY A 81 0.205 -17.195 1.286 1.00 34.02 N ATOM 1313 CA GLY A 81 -0.542 -18.477 1.393 1.00 34.25 C ATOM 1314 C GLY A 81 -1.811 -18.403 0.540 1.00 41.42 C ATOM 1315 O GLY A 81 -2.575 -19.344 0.473 1.00 50.12 O ATOM 0 H GLY A 81 0.349 -16.856 0.335 1.00 34.02 H new ATOM 0 HA2 GLY A 81 0.085 -19.304 1.060 1.00 34.25 H new ATOM 0 HA3 GLY A 81 -0.802 -18.673 2.433 1.00 34.25 H new ATOM 1319 N TYR A 82 -2.039 -17.297 -0.114 1.00 45.43 N ATOM 1320 CA TYR A 82 -3.262 -17.178 -0.963 1.00 13.15 C ATOM 1321 C TYR A 82 -2.980 -16.300 -2.183 1.00 70.30 C ATOM 1322 O TYR A 82 -2.181 -15.385 -2.135 1.00 41.23 O ATOM 1323 CB TYR A 82 -4.334 -16.524 -0.080 1.00 74.33 C ATOM 1324 CG TYR A 82 -4.184 -16.976 1.353 1.00 51.33 C ATOM 1325 CD1 TYR A 82 -3.175 -16.435 2.155 1.00 34.51 C ATOM 1326 CD2 TYR A 82 -5.053 -17.941 1.879 1.00 34.41 C ATOM 1327 CE1 TYR A 82 -3.030 -16.859 3.481 1.00 62.42 C ATOM 1328 CE2 TYR A 82 -4.911 -18.364 3.205 1.00 62.32 C ATOM 1329 CZ TYR A 82 -3.899 -17.822 4.008 1.00 53.31 C ATOM 1330 OH TYR A 82 -3.756 -18.239 5.314 1.00 24.21 O ATOM 0 H TYR A 82 -1.436 -16.474 -0.099 1.00 45.43 H new ATOM 0 HA TYR A 82 -3.585 -18.153 -1.329 1.00 13.15 H new ATOM 0 HB2 TYR A 82 -4.248 -15.439 -0.136 1.00 74.33 H new ATOM 0 HB3 TYR A 82 -5.326 -16.785 -0.448 1.00 74.33 H new ATOM 0 HD1 TYR A 82 -2.507 -15.689 1.751 1.00 34.51 H new ATOM 0 HD2 TYR A 82 -5.833 -18.359 1.260 1.00 34.41 H new ATOM 0 HE1 TYR A 82 -2.247 -16.443 4.098 1.00 62.42 H new ATOM 0 HE2 TYR A 82 -5.581 -19.108 3.609 1.00 62.32 H new ATOM 0 HH TYR A 82 -4.440 -18.910 5.520 1.00 24.21 H new ATOM 1340 N TYR A 83 -3.641 -16.567 -3.273 1.00 74.33 N ATOM 1341 CA TYR A 83 -3.428 -15.748 -4.501 1.00 42.51 C ATOM 1342 C TYR A 83 -4.740 -15.632 -5.284 1.00 43.23 C ATOM 1343 O TYR A 83 -5.382 -16.620 -5.585 1.00 63.41 O ATOM 1344 CB TYR A 83 -2.384 -16.508 -5.316 1.00 61.04 C ATOM 1345 CG TYR A 83 -2.207 -15.836 -6.657 1.00 31.33 C ATOM 1346 CD1 TYR A 83 -3.050 -16.169 -7.724 1.00 45.21 C ATOM 1347 CD2 TYR A 83 -1.200 -14.880 -6.833 1.00 73.44 C ATOM 1348 CE1 TYR A 83 -2.889 -15.544 -8.966 1.00 52.11 C ATOM 1349 CE2 TYR A 83 -1.038 -14.256 -8.076 1.00 2.04 C ATOM 1350 CZ TYR A 83 -1.882 -14.588 -9.141 1.00 35.30 C ATOM 1351 OH TYR A 83 -1.722 -13.972 -10.366 1.00 64.44 O ATOM 0 H TYR A 83 -4.323 -17.320 -3.368 1.00 74.33 H new ATOM 0 HA TYR A 83 -3.099 -14.735 -4.270 1.00 42.51 H new ATOM 0 HB2 TYR A 83 -1.435 -16.531 -4.780 1.00 61.04 H new ATOM 0 HB3 TYR A 83 -2.697 -17.543 -5.454 1.00 61.04 H new ATOM 0 HD1 TYR A 83 -3.825 -16.909 -7.589 1.00 45.21 H new ATOM 0 HD2 TYR A 83 -0.548 -14.624 -6.011 1.00 73.44 H new ATOM 0 HE1 TYR A 83 -3.541 -15.799 -9.788 1.00 52.11 H new ATOM 0 HE2 TYR A 83 -0.261 -13.518 -8.213 1.00 2.04 H new ATOM 0 HH TYR A 83 -0.979 -13.334 -10.317 1.00 64.44 H new ATOM 1361 N LEU A 84 -5.144 -14.437 -5.614 1.00 23.44 N ATOM 1362 CA LEU A 84 -6.418 -14.264 -6.373 1.00 11.34 C ATOM 1363 C LEU A 84 -6.129 -13.924 -7.835 1.00 52.01 C ATOM 1364 O LEU A 84 -5.494 -12.933 -8.141 1.00 61.52 O ATOM 1365 CB LEU A 84 -7.136 -13.105 -5.682 1.00 44.22 C ATOM 1366 CG LEU A 84 -8.478 -12.839 -6.372 1.00 22.31 C ATOM 1367 CD1 LEU A 84 -9.202 -14.163 -6.633 1.00 73.15 C ATOM 1368 CD2 LEU A 84 -9.346 -11.956 -5.471 1.00 22.21 C ATOM 0 H LEU A 84 -4.649 -13.573 -5.392 1.00 23.44 H new ATOM 0 HA LEU A 84 -7.020 -15.173 -6.377 1.00 11.34 H new ATOM 0 HB2 LEU A 84 -7.298 -13.341 -4.630 1.00 44.22 H new ATOM 0 HB3 LEU A 84 -6.516 -12.209 -5.716 1.00 44.22 H new ATOM 0 HG LEU A 84 -8.299 -12.334 -7.321 1.00 22.31 H new ATOM 0 HD11 LEU A 84 -10.155 -13.966 -7.124 1.00 73.15 H new ATOM 0 HD12 LEU A 84 -8.587 -14.794 -7.275 1.00 73.15 H new ATOM 0 HD13 LEU A 84 -9.380 -14.673 -5.686 1.00 73.15 H new ATOM 0 HD21 LEU A 84 -10.301 -11.765 -5.960 1.00 22.21 H new ATOM 0 HD22 LEU A 84 -9.519 -12.463 -4.522 1.00 22.21 H new ATOM 0 HD23 LEU A 84 -8.836 -11.010 -5.289 1.00 22.21 H new ATOM 1380 N GLN A 85 -6.591 -14.740 -8.741 1.00 42.25 N ATOM 1381 CA GLN A 85 -6.347 -14.463 -10.183 1.00 33.20 C ATOM 1382 C GLN A 85 -7.582 -13.807 -10.812 1.00 72.43 C ATOM 1383 O GLN A 85 -8.707 -14.173 -10.522 1.00 52.13 O ATOM 1384 CB GLN A 85 -6.056 -15.834 -10.814 1.00 24.12 C ATOM 1385 CG GLN A 85 -7.367 -16.525 -11.212 1.00 21.11 C ATOM 1386 CD GLN A 85 -7.753 -16.128 -12.641 1.00 62.11 C ATOM 1387 OE1 GLN A 85 -8.596 -16.761 -13.248 1.00 13.42 O ATOM 1388 NE2 GLN A 85 -7.180 -15.102 -13.211 1.00 11.33 N ATOM 0 H GLN A 85 -7.126 -15.586 -8.545 1.00 42.25 H new ATOM 0 HA GLN A 85 -5.519 -13.772 -10.340 1.00 33.20 H new ATOM 0 HB2 GLN A 85 -5.421 -15.711 -11.691 1.00 24.12 H new ATOM 0 HB3 GLN A 85 -5.508 -16.458 -10.108 1.00 24.12 H new ATOM 0 HG2 GLN A 85 -7.253 -17.607 -11.144 1.00 21.11 H new ATOM 0 HG3 GLN A 85 -8.161 -16.244 -10.520 1.00 21.11 H new ATOM 0 HE21 GLN A 85 -6.473 -14.568 -12.707 1.00 11.33 H new ATOM 0 HE22 GLN A 85 -7.440 -14.835 -14.160 1.00 11.33 H new ATOM 1397 N LEU A 86 -7.382 -12.845 -11.669 1.00 15.35 N ATOM 1398 CA LEU A 86 -8.540 -12.164 -12.315 1.00 52.25 C ATOM 1399 C LEU A 86 -8.330 -12.091 -13.832 1.00 73.35 C ATOM 1400 O LEU A 86 -7.347 -11.545 -14.294 1.00 71.04 O ATOM 1401 CB LEU A 86 -8.558 -10.761 -11.709 1.00 50.21 C ATOM 1402 CG LEU A 86 -9.893 -10.525 -11.003 1.00 43.00 C ATOM 1403 CD1 LEU A 86 -11.028 -10.546 -12.028 1.00 32.30 C ATOM 1404 CD2 LEU A 86 -10.122 -11.626 -9.964 1.00 62.23 C ATOM 0 H LEU A 86 -6.465 -12.500 -11.951 1.00 15.35 H new ATOM 0 HA LEU A 86 -9.478 -12.693 -12.149 1.00 52.25 H new ATOM 0 HB2 LEU A 86 -7.736 -10.649 -11.002 1.00 50.21 H new ATOM 0 HB3 LEU A 86 -8.411 -10.015 -12.490 1.00 50.21 H new ATOM 0 HG LEU A 86 -9.873 -9.555 -10.507 1.00 43.00 H new ATOM 0 HD11 LEU A 86 -11.979 -10.378 -11.522 1.00 32.30 H new ATOM 0 HD12 LEU A 86 -10.866 -9.761 -12.766 1.00 32.30 H new ATOM 0 HD13 LEU A 86 -11.050 -11.515 -12.527 1.00 32.30 H new ATOM 0 HD21 LEU A 86 -11.074 -11.458 -9.460 1.00 62.23 H new ATOM 0 HD22 LEU A 86 -10.140 -12.596 -10.460 1.00 62.23 H new ATOM 0 HD23 LEU A 86 -9.315 -11.608 -9.231 1.00 62.23 H new