USER MOD reduce.3.24.130724 H: found=0, std=0, add=541, rem=0, adj=19 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 26 GLN : amide:sc= -2.71! C(o=-5!,f=-5.6!) USER MOD Set 1.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 67 ASN : amide:sc= -2.26! C(o=-5!,f=-4.6!) USER MOD Set 2.1: A 16 CYS SG : rot 97:sc= -1.3! USER MOD Set 2.2: A 74 LYS NZ :NH3+ 175:sc= -0.726 (180deg=-0.828) USER MOD Single : A 19 TYR OH : rot 130:sc= -4.51! USER MOD Single : A 21 SER OG : rot -7:sc= 1.63 USER MOD Single : A 22 SER OG : rot 180:sc= -0.909 USER MOD Single : A 23 LYS NZ :NH3+ 146:sc= -0.351 (180deg=-2.83!) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.371 USER MOD Single : A 30 TYR OH : rot -59:sc= -1.08 USER MOD Single : A 33 LYS NZ :NH3+ -119:sc= -0.0588 (180deg=-0.465) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -31:sc= 0.135 USER MOD Single : A 45 MET CE :methyl 171:sc= -5.82! (180deg=-5.99!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= -1.64 F(o=-3.1!,f=-1.6) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.959 F(o=-1.5!,f=-0.96) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -15.4! C(o=-15!,f=-25!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN :FLIP amide:sc= -0.0719 F(o=-0.85,f=-0.072) 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 :FLIP amide:sc= -6.51! C(o=-8!,f=-6.5!) USER MOD ----------------------------------------------------------------- ATOM 214 N PHE A 15 0.863 -28.368 -3.825 1.00 14.03 N ATOM 215 CA PHE A 15 -0.595 -28.526 -4.101 1.00 55.52 C ATOM 216 C PHE A 15 -1.310 -27.190 -3.879 1.00 14.34 C ATOM 217 O PHE A 15 -0.992 -26.447 -2.972 1.00 40.21 O ATOM 218 CB PHE A 15 -1.079 -29.577 -3.099 1.00 52.44 C ATOM 219 CG PHE A 15 -2.577 -29.470 -2.916 1.00 62.30 C ATOM 220 CD1 PHE A 15 -3.105 -28.566 -1.986 1.00 40.03 C ATOM 221 CD2 PHE A 15 -3.435 -30.272 -3.677 1.00 72.43 C ATOM 222 CE1 PHE A 15 -4.491 -28.468 -1.815 1.00 22.43 C ATOM 223 CE2 PHE A 15 -4.821 -30.174 -3.505 1.00 0.32 C ATOM 224 CZ PHE A 15 -5.349 -29.273 -2.574 1.00 31.30 C ATOM 0 HA PHE A 15 -0.797 -28.830 -5.128 1.00 55.52 H new ATOM 0 HB2 PHE A 15 -0.818 -30.575 -3.452 1.00 52.44 H new ATOM 0 HB3 PHE A 15 -0.577 -29.437 -2.142 1.00 52.44 H new ATOM 0 HD1 PHE A 15 -2.443 -27.945 -1.401 1.00 40.03 H new ATOM 0 HD2 PHE A 15 -3.028 -30.967 -4.397 1.00 72.43 H new ATOM 0 HE1 PHE A 15 -4.899 -27.771 -1.097 1.00 22.43 H new ATOM 0 HE2 PHE A 15 -5.483 -30.794 -4.091 1.00 0.32 H new ATOM 0 HZ PHE A 15 -6.418 -29.198 -2.441 1.00 31.30 H new ATOM 234 N CYS A 16 -2.269 -26.877 -4.704 1.00 42.43 N ATOM 235 CA CYS A 16 -2.999 -25.587 -4.541 1.00 20.20 C ATOM 236 C CYS A 16 -4.490 -25.779 -4.818 1.00 12.55 C ATOM 237 O CYS A 16 -4.884 -26.637 -5.584 1.00 52.41 O ATOM 238 CB CYS A 16 -2.379 -24.650 -5.579 1.00 23.12 C ATOM 239 SG CYS A 16 -0.576 -24.693 -5.431 1.00 22.33 S ATOM 0 H CYS A 16 -2.580 -27.457 -5.484 1.00 42.43 H new ATOM 0 HA CYS A 16 -2.915 -25.192 -3.529 1.00 20.20 H new ATOM 0 HB2 CYS A 16 -2.679 -24.952 -6.582 1.00 23.12 H new ATOM 0 HB3 CYS A 16 -2.743 -23.633 -5.430 1.00 23.12 H new ATOM 0 HG CYS A 16 -0.088 -25.522 -6.306 1.00 22.33 H new ATOM 245 N VAL A 17 -5.321 -24.984 -4.207 1.00 51.53 N ATOM 246 CA VAL A 17 -6.787 -25.119 -4.443 1.00 42.34 C ATOM 247 C VAL A 17 -7.304 -23.887 -5.187 1.00 11.04 C ATOM 248 O VAL A 17 -7.096 -22.765 -4.769 1.00 30.12 O ATOM 249 CB VAL A 17 -7.425 -25.203 -3.052 1.00 30.13 C ATOM 250 CG1 VAL A 17 -8.802 -25.857 -3.165 1.00 41.04 C ATOM 251 CG2 VAL A 17 -6.541 -26.039 -2.123 1.00 41.55 C ATOM 0 H VAL A 17 -5.051 -24.247 -3.555 1.00 51.53 H new ATOM 0 HA VAL A 17 -7.025 -25.995 -5.046 1.00 42.34 H new ATOM 0 HB VAL A 17 -7.527 -24.198 -2.642 1.00 30.13 H new ATOM 0 HG11 VAL A 17 -9.258 -25.918 -2.177 1.00 41.04 H new ATOM 0 HG12 VAL A 17 -9.436 -25.260 -3.821 1.00 41.04 H new ATOM 0 HG13 VAL A 17 -8.696 -26.860 -3.578 1.00 41.04 H new ATOM 0 HG21 VAL A 17 -7.000 -26.094 -1.136 1.00 41.55 H new ATOM 0 HG22 VAL A 17 -6.434 -27.044 -2.530 1.00 41.55 H new ATOM 0 HG23 VAL A 17 -5.559 -25.574 -2.040 1.00 41.55 H new ATOM 261 N ILE A 18 -7.973 -24.085 -6.287 1.00 13.24 N ATOM 262 CA ILE A 18 -8.498 -22.921 -7.057 1.00 14.22 C ATOM 263 C ILE A 18 -9.958 -22.659 -6.687 1.00 45.20 C ATOM 264 O ILE A 18 -10.842 -23.422 -7.023 1.00 32.14 O ATOM 265 CB ILE A 18 -8.380 -23.327 -8.527 1.00 51.40 C ATOM 266 CG1 ILE A 18 -6.916 -23.224 -8.966 1.00 32.24 C ATOM 267 CG2 ILE A 18 -9.236 -22.394 -9.386 1.00 74.30 C ATOM 268 CD1 ILE A 18 -6.343 -24.626 -9.177 1.00 72.35 C ATOM 0 H ILE A 18 -8.180 -25.000 -6.687 1.00 13.24 H new ATOM 0 HA ILE A 18 -7.947 -22.005 -6.845 1.00 14.22 H new ATOM 0 HB ILE A 18 -8.727 -24.353 -8.650 1.00 51.40 H new ATOM 0 HG12 ILE A 18 -6.842 -22.648 -9.888 1.00 32.24 H new ATOM 0 HG13 ILE A 18 -6.336 -22.693 -8.211 1.00 32.24 H new ATOM 0 HG21 ILE A 18 -9.151 -22.684 -10.433 1.00 74.30 H new ATOM 0 HG22 ILE A 18 -10.278 -22.465 -9.073 1.00 74.30 H new ATOM 0 HG23 ILE A 18 -8.890 -21.368 -9.265 1.00 74.30 H new ATOM 0 HD11 ILE A 18 -5.301 -24.550 -9.489 1.00 72.35 H new ATOM 0 HD12 ILE A 18 -6.402 -25.187 -8.245 1.00 72.35 H new ATOM 0 HD13 ILE A 18 -6.916 -25.141 -9.948 1.00 72.35 H new ATOM 280 N TYR A 19 -10.218 -21.585 -5.994 1.00 54.35 N ATOM 281 CA TYR A 19 -11.620 -21.274 -5.602 1.00 42.01 C ATOM 282 C TYR A 19 -12.297 -20.434 -6.681 1.00 74.43 C ATOM 283 O TYR A 19 -11.650 -19.760 -7.456 1.00 30.34 O ATOM 284 CB TYR A 19 -11.504 -20.471 -4.307 1.00 43.14 C ATOM 285 CG TYR A 19 -11.230 -21.408 -3.157 1.00 52.20 C ATOM 286 CD1 TYR A 19 -9.925 -21.857 -2.917 1.00 14.32 C ATOM 287 CD2 TYR A 19 -12.278 -21.834 -2.333 1.00 53.41 C ATOM 288 CE1 TYR A 19 -9.669 -22.730 -1.853 1.00 54.25 C ATOM 289 CE2 TYR A 19 -12.023 -22.706 -1.269 1.00 12.24 C ATOM 290 CZ TYR A 19 -10.719 -23.154 -1.029 1.00 44.11 C ATOM 291 OH TYR A 19 -10.468 -24.015 0.019 1.00 54.10 O ATOM 0 H TYR A 19 -9.520 -20.910 -5.683 1.00 54.35 H new ATOM 0 HA TYR A 19 -12.218 -22.177 -5.474 1.00 42.01 H new ATOM 0 HB2 TYR A 19 -10.702 -19.738 -4.392 1.00 43.14 H new ATOM 0 HB3 TYR A 19 -12.425 -19.916 -4.127 1.00 43.14 H new ATOM 0 HD1 TYR A 19 -9.116 -21.530 -3.553 1.00 14.32 H new ATOM 0 HD2 TYR A 19 -13.285 -21.489 -2.519 1.00 53.41 H new ATOM 0 HE1 TYR A 19 -8.663 -23.076 -1.668 1.00 54.25 H new ATOM 0 HE2 TYR A 19 -12.832 -23.033 -0.633 1.00 12.24 H new ATOM 0 HH TYR A 19 -10.872 -23.660 0.838 1.00 54.10 H new ATOM 301 N ARG A 20 -13.597 -20.461 -6.725 1.00 4.23 N ATOM 302 CA ARG A 20 -14.319 -19.657 -7.745 1.00 43.32 C ATOM 303 C ARG A 20 -15.343 -18.753 -7.056 1.00 65.11 C ATOM 304 O ARG A 20 -15.993 -19.144 -6.107 1.00 1.41 O ATOM 305 CB ARG A 20 -15.009 -20.679 -8.652 1.00 65.10 C ATOM 306 CG ARG A 20 -16.104 -21.408 -7.872 1.00 35.32 C ATOM 307 CD ARG A 20 -17.011 -22.158 -8.852 1.00 33.15 C ATOM 308 NE ARG A 20 -17.249 -23.486 -8.219 1.00 4.44 N ATOM 309 CZ ARG A 20 -18.438 -23.796 -7.780 1.00 30.12 C ATOM 310 NH1 ARG A 20 -19.234 -22.860 -7.339 1.00 62.14 N ATOM 311 NH2 ARG A 20 -18.831 -25.040 -7.788 1.00 75.11 N ATOM 0 H ARG A 20 -14.191 -21.005 -6.099 1.00 4.23 H new ATOM 0 HA ARG A 20 -13.654 -19.009 -8.316 1.00 43.32 H new ATOM 0 HB2 ARG A 20 -15.440 -20.177 -9.519 1.00 65.10 H new ATOM 0 HB3 ARG A 20 -14.279 -21.396 -9.029 1.00 65.10 H new ATOM 0 HG2 ARG A 20 -15.658 -22.107 -7.164 1.00 35.32 H new ATOM 0 HG3 ARG A 20 -16.689 -20.695 -7.291 1.00 35.32 H new ATOM 0 HD2 ARG A 20 -17.947 -21.623 -9.011 1.00 33.15 H new ATOM 0 HD3 ARG A 20 -16.535 -22.265 -9.827 1.00 33.15 H new ATOM 0 HE ARG A 20 -16.482 -24.153 -8.129 1.00 4.44 H new ATOM 0 HH11 ARG A 20 -18.926 -21.888 -7.338 1.00 62.14 H new ATOM 0 HH12 ARG A 20 -20.164 -23.101 -6.996 1.00 62.14 H new ATOM 0 HH21 ARG A 20 -18.209 -25.769 -8.137 1.00 75.11 H new ATOM 0 HH22 ARG A 20 -19.760 -25.283 -7.445 1.00 75.11 H new ATOM 325 N SER A 21 -15.480 -17.544 -7.515 1.00 22.13 N ATOM 326 CA SER A 21 -16.454 -16.615 -6.875 1.00 12.22 C ATOM 327 C SER A 21 -17.888 -17.108 -7.097 1.00 1.42 C ATOM 328 O SER A 21 -18.289 -17.415 -8.202 1.00 11.12 O ATOM 329 CB SER A 21 -16.231 -15.277 -7.571 1.00 72.54 C ATOM 330 OG SER A 21 -15.049 -14.675 -7.058 1.00 3.21 O ATOM 0 H SER A 21 -14.962 -17.157 -8.304 1.00 22.13 H new ATOM 0 HA SER A 21 -16.312 -16.544 -5.797 1.00 12.22 H new ATOM 0 HB2 SER A 21 -16.141 -15.424 -8.647 1.00 72.54 H new ATOM 0 HB3 SER A 21 -17.087 -14.622 -7.409 1.00 72.54 H new ATOM 0 HG SER A 21 -14.715 -15.202 -6.302 1.00 3.21 H new ATOM 336 N SER A 22 -18.659 -17.187 -6.047 1.00 1.03 N ATOM 337 CA SER A 22 -20.067 -17.663 -6.180 1.00 72.01 C ATOM 338 C SER A 22 -20.724 -17.061 -7.425 1.00 3.01 C ATOM 339 O SER A 22 -21.431 -17.734 -8.149 1.00 63.30 O ATOM 340 CB SER A 22 -20.767 -17.173 -4.912 1.00 5.23 C ATOM 341 OG SER A 22 -21.558 -16.034 -5.221 1.00 51.24 O ATOM 0 H SER A 22 -18.374 -16.942 -5.099 1.00 1.03 H new ATOM 0 HA SER A 22 -20.126 -18.746 -6.290 1.00 72.01 H new ATOM 0 HB2 SER A 22 -21.394 -17.964 -4.500 1.00 5.23 H new ATOM 0 HB3 SER A 22 -20.029 -16.922 -4.150 1.00 5.23 H new ATOM 0 HG SER A 22 -22.009 -15.719 -4.410 1.00 51.24 H new ATOM 347 N LYS A 23 -20.499 -15.802 -7.683 1.00 2.34 N ATOM 348 CA LYS A 23 -21.120 -15.171 -8.883 1.00 71.33 C ATOM 349 C LYS A 23 -20.230 -14.051 -9.427 1.00 2.44 C ATOM 350 O LYS A 23 -20.305 -12.917 -8.994 1.00 51.43 O ATOM 351 CB LYS A 23 -22.450 -14.598 -8.390 1.00 5.33 C ATOM 352 CG LYS A 23 -22.241 -13.885 -7.049 1.00 4.31 C ATOM 353 CD LYS A 23 -22.649 -12.416 -7.183 1.00 3.31 C ATOM 354 CE LYS A 23 -22.077 -11.616 -6.011 1.00 51.15 C ATOM 355 NZ LYS A 23 -20.619 -11.925 -6.006 1.00 53.35 N ATOM 0 H LYS A 23 -19.915 -15.185 -7.118 1.00 2.34 H new ATOM 0 HA LYS A 23 -21.255 -15.888 -9.693 1.00 71.33 H new ATOM 0 HB2 LYS A 23 -22.851 -13.900 -9.125 1.00 5.33 H new ATOM 0 HB3 LYS A 23 -23.182 -15.398 -8.277 1.00 5.33 H new ATOM 0 HG2 LYS A 23 -22.833 -14.368 -6.272 1.00 4.31 H new ATOM 0 HG3 LYS A 23 -21.197 -13.957 -6.745 1.00 4.31 H new ATOM 0 HD2 LYS A 23 -22.283 -12.011 -8.126 1.00 3.31 H new ATOM 0 HD3 LYS A 23 -23.735 -12.330 -7.200 1.00 3.31 H new ATOM 0 HE2 LYS A 23 -22.253 -10.548 -6.139 1.00 51.15 H new ATOM 0 HE3 LYS A 23 -22.545 -11.906 -5.070 1.00 51.15 H new ATOM 0 HZ1 LYS A 23 -20.088 -11.087 -5.695 1.00 53.35 H new ATOM 0 HZ2 LYS A 23 -20.434 -12.714 -5.354 1.00 53.35 H new ATOM 0 HZ3 LYS A 23 -20.317 -12.190 -6.965 1.00 53.35 H new ATOM 369 N ARG A 24 -19.396 -14.359 -10.384 1.00 15.10 N ATOM 370 CA ARG A 24 -18.505 -13.317 -10.971 1.00 15.21 C ATOM 371 C ARG A 24 -18.220 -13.650 -12.439 1.00 63.25 C ATOM 372 O ARG A 24 -18.853 -14.507 -13.023 1.00 63.21 O ATOM 373 CB ARG A 24 -17.215 -13.385 -10.153 1.00 73.51 C ATOM 374 CG ARG A 24 -17.336 -12.489 -8.919 1.00 11.11 C ATOM 375 CD ARG A 24 -17.169 -11.024 -9.331 1.00 53.04 C ATOM 376 NE ARG A 24 -18.185 -10.285 -8.533 1.00 21.15 N ATOM 377 CZ ARG A 24 -18.096 -8.991 -8.404 1.00 63.12 C ATOM 378 NH1 ARG A 24 -17.403 -8.292 -9.262 1.00 15.12 N ATOM 379 NH2 ARG A 24 -18.703 -8.388 -7.417 1.00 32.13 N ATOM 0 H ARG A 24 -19.293 -15.291 -10.786 1.00 15.10 H new ATOM 0 HA ARG A 24 -18.952 -12.323 -10.940 1.00 15.21 H new ATOM 0 HB2 ARG A 24 -17.020 -14.413 -9.849 1.00 73.51 H new ATOM 0 HB3 ARG A 24 -16.370 -13.067 -10.763 1.00 73.51 H new ATOM 0 HG2 ARG A 24 -18.306 -12.636 -8.444 1.00 11.11 H new ATOM 0 HG3 ARG A 24 -16.577 -12.760 -8.185 1.00 11.11 H new ATOM 0 HD2 ARG A 24 -16.162 -10.666 -9.118 1.00 53.04 H new ATOM 0 HD3 ARG A 24 -17.334 -10.893 -10.400 1.00 53.04 H new ATOM 0 HE ARG A 24 -18.950 -10.791 -8.087 1.00 21.15 H new ATOM 0 HH11 ARG A 24 -16.930 -8.758 -10.036 1.00 15.12 H new ATOM 0 HH12 ARG A 24 -17.335 -7.280 -9.159 1.00 15.12 H new ATOM 0 HH21 ARG A 24 -19.248 -8.930 -6.746 1.00 32.13 H new ATOM 0 HH22 ARG A 24 -18.632 -7.375 -7.317 1.00 32.13 H new ATOM 393 N ASP A 25 -17.269 -12.989 -13.036 1.00 23.33 N ATOM 394 CA ASP A 25 -16.946 -13.283 -14.461 1.00 63.31 C ATOM 395 C ASP A 25 -15.819 -14.314 -14.534 1.00 30.54 C ATOM 396 O ASP A 25 -15.965 -15.369 -15.119 1.00 54.42 O ATOM 397 CB ASP A 25 -16.499 -11.947 -15.058 1.00 70.32 C ATOM 398 CG ASP A 25 -17.331 -11.640 -16.305 1.00 22.42 C ATOM 399 OD1 ASP A 25 -18.399 -12.217 -16.438 1.00 75.31 O ATOM 400 OD2 ASP A 25 -16.887 -10.835 -17.107 1.00 34.12 O ATOM 0 H ASP A 25 -16.703 -12.260 -12.602 1.00 23.33 H new ATOM 0 HA ASP A 25 -17.796 -13.698 -15.003 1.00 63.31 H new ATOM 0 HB2 ASP A 25 -16.618 -11.151 -14.323 1.00 70.32 H new ATOM 0 HB3 ASP A 25 -15.441 -11.988 -15.315 1.00 70.32 H new ATOM 405 N GLN A 26 -14.698 -14.021 -13.934 1.00 35.12 N ATOM 406 CA GLN A 26 -13.559 -14.984 -13.955 1.00 43.40 C ATOM 407 C GLN A 26 -12.659 -14.762 -12.736 1.00 32.11 C ATOM 408 O GLN A 26 -11.454 -14.660 -12.856 1.00 72.12 O ATOM 409 CB GLN A 26 -12.796 -14.678 -15.245 1.00 53.11 C ATOM 410 CG GLN A 26 -13.347 -15.539 -16.385 1.00 33.31 C ATOM 411 CD GLN A 26 -13.163 -17.019 -16.041 1.00 54.23 C ATOM 412 OE1 GLN A 26 -12.053 -17.509 -15.990 1.00 52.40 O ATOM 413 NE2 GLN A 26 -14.212 -17.754 -15.801 1.00 43.51 N ATOM 0 H GLN A 26 -14.521 -13.153 -13.428 1.00 35.12 H new ATOM 0 HA GLN A 26 -13.897 -16.020 -13.920 1.00 43.40 H new ATOM 0 HB2 GLN A 26 -12.893 -13.621 -15.495 1.00 53.11 H new ATOM 0 HB3 GLN A 26 -11.733 -14.877 -15.107 1.00 53.11 H new ATOM 0 HG2 GLN A 26 -14.403 -15.320 -16.543 1.00 33.31 H new ATOM 0 HG3 GLN A 26 -12.830 -15.304 -17.315 1.00 33.31 H new ATOM 0 HE21 GLN A 26 -15.144 -17.342 -15.844 1.00 43.51 H new ATOM 0 HE22 GLN A 26 -14.101 -18.741 -15.570 1.00 43.51 H new ATOM 422 N THR A 27 -13.232 -14.682 -11.565 1.00 12.21 N ATOM 423 CA THR A 27 -12.403 -14.465 -10.343 1.00 2.13 C ATOM 424 C THR A 27 -12.131 -15.798 -9.641 1.00 23.25 C ATOM 425 O THR A 27 -13.040 -16.548 -9.336 1.00 43.44 O ATOM 426 CB THR A 27 -13.247 -13.552 -9.452 1.00 51.01 C ATOM 427 OG1 THR A 27 -13.537 -12.350 -10.150 1.00 31.22 O ATOM 428 CG2 THR A 27 -12.476 -13.228 -8.169 1.00 15.24 C ATOM 0 H THR A 27 -14.236 -14.757 -11.401 1.00 12.21 H new ATOM 0 HA THR A 27 -11.432 -14.027 -10.575 1.00 2.13 H new ATOM 0 HB THR A 27 -14.178 -14.057 -9.193 1.00 51.01 H new ATOM 0 HG1 THR A 27 -14.079 -11.764 -9.581 1.00 31.22 H new ATOM 0 HG21 THR A 27 -13.080 -12.577 -7.536 1.00 15.24 H new ATOM 0 HG22 THR A 27 -12.255 -14.152 -7.634 1.00 15.24 H new ATOM 0 HG23 THR A 27 -11.543 -12.724 -8.422 1.00 15.24 H new ATOM 436 N TYR A 28 -10.885 -16.094 -9.377 1.00 72.33 N ATOM 437 CA TYR A 28 -10.558 -17.380 -8.692 1.00 2.04 C ATOM 438 C TYR A 28 -9.482 -17.162 -7.625 1.00 54.43 C ATOM 439 O TYR A 28 -8.571 -16.375 -7.797 1.00 2.24 O ATOM 440 CB TYR A 28 -10.042 -18.299 -9.801 1.00 23.52 C ATOM 441 CG TYR A 28 -11.204 -18.762 -10.650 1.00 5.10 C ATOM 442 CD1 TYR A 28 -11.726 -17.921 -11.639 1.00 21.41 C ATOM 443 CD2 TYR A 28 -11.760 -20.031 -10.444 1.00 71.43 C ATOM 444 CE1 TYR A 28 -12.806 -18.348 -12.422 1.00 21.04 C ATOM 445 CE2 TYR A 28 -12.840 -20.457 -11.226 1.00 51.11 C ATOM 446 CZ TYR A 28 -13.362 -19.615 -12.217 1.00 13.20 C ATOM 447 OH TYR A 28 -14.428 -20.036 -12.988 1.00 31.41 O ATOM 0 H TYR A 28 -10.084 -15.505 -9.604 1.00 72.33 H new ATOM 0 HA TYR A 28 -11.422 -17.804 -8.180 1.00 2.04 H new ATOM 0 HB2 TYR A 28 -9.315 -17.771 -10.417 1.00 23.52 H new ATOM 0 HB3 TYR A 28 -9.529 -19.158 -9.368 1.00 23.52 H new ATOM 0 HD1 TYR A 28 -11.296 -16.943 -11.799 1.00 21.41 H new ATOM 0 HD2 TYR A 28 -11.356 -20.681 -9.682 1.00 71.43 H new ATOM 0 HE1 TYR A 28 -13.210 -17.698 -13.185 1.00 21.04 H new ATOM 0 HE2 TYR A 28 -13.271 -21.434 -11.066 1.00 51.11 H new ATOM 0 HH TYR A 28 -14.691 -20.940 -12.716 1.00 31.41 H new ATOM 457 N LEU A 29 -9.580 -17.860 -6.526 1.00 13.50 N ATOM 458 CA LEU A 29 -8.566 -17.700 -5.440 1.00 2.34 C ATOM 459 C LEU A 29 -7.635 -18.917 -5.417 1.00 35.30 C ATOM 460 O LEU A 29 -8.016 -20.006 -5.795 1.00 10.42 O ATOM 461 CB LEU A 29 -9.384 -17.626 -4.148 1.00 63.23 C ATOM 462 CG LEU A 29 -9.260 -16.227 -3.535 1.00 74.33 C ATOM 463 CD1 LEU A 29 -10.043 -16.174 -2.221 1.00 3.20 C ATOM 464 CD2 LEU A 29 -7.790 -15.921 -3.254 1.00 11.23 C ATOM 0 H LEU A 29 -10.319 -18.536 -6.332 1.00 13.50 H new ATOM 0 HA LEU A 29 -7.940 -16.818 -5.577 1.00 2.34 H new ATOM 0 HB2 LEU A 29 -10.430 -17.851 -4.356 1.00 63.23 H new ATOM 0 HB3 LEU A 29 -9.031 -18.376 -3.440 1.00 63.23 H new ATOM 0 HG LEU A 29 -9.661 -15.491 -4.232 1.00 74.33 H new ATOM 0 HD11 LEU A 29 -9.955 -15.179 -1.785 1.00 3.20 H new ATOM 0 HD12 LEU A 29 -11.093 -16.394 -2.414 1.00 3.20 H new ATOM 0 HD13 LEU A 29 -9.640 -16.911 -1.527 1.00 3.20 H new ATOM 0 HD21 LEU A 29 -7.702 -14.926 -2.818 1.00 11.23 H new ATOM 0 HD22 LEU A 29 -7.391 -16.659 -2.557 1.00 11.23 H new ATOM 0 HD23 LEU A 29 -7.226 -15.960 -4.186 1.00 11.23 H new ATOM 476 N TYR A 30 -6.418 -18.746 -4.976 1.00 32.11 N ATOM 477 CA TYR A 30 -5.475 -19.901 -4.931 1.00 72.33 C ATOM 478 C TYR A 30 -4.845 -20.011 -3.540 1.00 71.25 C ATOM 479 O TYR A 30 -4.439 -19.028 -2.952 1.00 70.24 O ATOM 480 CB TYR A 30 -4.407 -19.582 -5.977 1.00 43.21 C ATOM 481 CG TYR A 30 -5.045 -19.531 -7.347 1.00 0.52 C ATOM 482 CD1 TYR A 30 -5.929 -18.494 -7.668 1.00 43.32 C ATOM 483 CD2 TYR A 30 -4.746 -20.516 -8.296 1.00 31.34 C ATOM 484 CE1 TYR A 30 -6.517 -18.444 -8.935 1.00 10.14 C ATOM 485 CE2 TYR A 30 -5.334 -20.465 -9.566 1.00 4.21 C ATOM 486 CZ TYR A 30 -6.219 -19.428 -9.885 1.00 43.01 C ATOM 487 OH TYR A 30 -6.800 -19.378 -11.134 1.00 12.35 O ATOM 0 H TYR A 30 -6.037 -17.860 -4.646 1.00 32.11 H new ATOM 0 HA TYR A 30 -5.973 -20.849 -5.133 1.00 72.33 H new ATOM 0 HB2 TYR A 30 -3.933 -18.628 -5.749 1.00 43.21 H new ATOM 0 HB3 TYR A 30 -3.624 -20.340 -5.956 1.00 43.21 H new ATOM 0 HD1 TYR A 30 -6.157 -17.733 -6.937 1.00 43.32 H new ATOM 0 HD2 TYR A 30 -4.062 -21.315 -8.049 1.00 31.34 H new ATOM 0 HE1 TYR A 30 -7.202 -17.646 -9.181 1.00 10.14 H new ATOM 0 HE2 TYR A 30 -5.105 -21.225 -10.299 1.00 4.21 H new ATOM 0 HH TYR A 30 -7.775 -19.409 -11.043 1.00 12.35 H new ATOM 497 N VAL A 31 -4.764 -21.199 -3.009 1.00 54.30 N ATOM 498 CA VAL A 31 -4.163 -21.370 -1.652 1.00 15.44 C ATOM 499 C VAL A 31 -3.378 -22.681 -1.580 1.00 35.13 C ATOM 500 O VAL A 31 -3.685 -23.639 -2.265 1.00 44.11 O ATOM 501 CB VAL A 31 -5.339 -21.398 -0.660 1.00 73.41 C ATOM 502 CG1 VAL A 31 -5.567 -19.991 -0.109 1.00 12.41 C ATOM 503 CG2 VAL A 31 -6.616 -21.884 -1.352 1.00 64.24 C ATOM 0 H VAL A 31 -5.087 -22.059 -3.453 1.00 54.30 H new ATOM 0 HA VAL A 31 -3.469 -20.562 -1.422 1.00 15.44 H new ATOM 0 HB VAL A 31 -5.098 -22.084 0.152 1.00 73.41 H new ATOM 0 HG11 VAL A 31 -6.400 -20.006 0.594 1.00 12.41 H new ATOM 0 HG12 VAL A 31 -4.667 -19.650 0.402 1.00 12.41 H new ATOM 0 HG13 VAL A 31 -5.798 -19.312 -0.930 1.00 12.41 H new ATOM 0 HG21 VAL A 31 -7.436 -21.897 -0.634 1.00 64.24 H new ATOM 0 HG22 VAL A 31 -6.863 -21.212 -2.174 1.00 64.24 H new ATOM 0 HG23 VAL A 31 -6.459 -22.890 -1.741 1.00 64.24 H new ATOM 513 N GLU A 32 -2.375 -22.732 -0.755 1.00 61.32 N ATOM 514 CA GLU A 32 -1.570 -23.979 -0.632 1.00 43.54 C ATOM 515 C GLU A 32 -2.446 -25.108 -0.083 1.00 55.42 C ATOM 516 O GLU A 32 -2.073 -26.264 -0.101 1.00 65.02 O ATOM 517 CB GLU A 32 -0.456 -23.633 0.354 1.00 34.12 C ATOM 518 CG GLU A 32 -1.072 -23.117 1.657 1.00 51.14 C ATOM 519 CD GLU A 32 -0.066 -23.275 2.799 1.00 22.04 C ATOM 520 OE1 GLU A 32 0.332 -24.397 3.060 1.00 54.11 O ATOM 521 OE2 GLU A 32 0.287 -22.270 3.393 1.00 71.44 O ATOM 0 H GLU A 32 -2.075 -21.962 -0.157 1.00 61.32 H new ATOM 0 HA GLU A 32 -1.172 -24.318 -1.589 1.00 43.54 H new ATOM 0 HB2 GLU A 32 0.156 -24.513 0.552 1.00 34.12 H new ATOM 0 HB3 GLU A 32 0.202 -22.877 -0.074 1.00 34.12 H new ATOM 0 HG2 GLU A 32 -1.352 -22.069 1.548 1.00 51.14 H new ATOM 0 HG3 GLU A 32 -1.984 -23.669 1.883 1.00 51.14 H new ATOM 528 N LYS A 33 -3.609 -24.777 0.406 1.00 30.11 N ATOM 529 CA LYS A 33 -4.516 -25.822 0.956 1.00 71.51 C ATOM 530 C LYS A 33 -5.951 -25.295 1.011 1.00 64.14 C ATOM 531 O LYS A 33 -6.196 -24.111 0.885 1.00 71.32 O ATOM 532 CB LYS A 33 -3.989 -26.101 2.366 1.00 73.23 C ATOM 533 CG LYS A 33 -4.365 -24.943 3.295 1.00 12.44 C ATOM 534 CD LYS A 33 -3.144 -24.527 4.117 1.00 72.32 C ATOM 535 CE LYS A 33 -3.547 -24.358 5.583 1.00 64.21 C ATOM 536 NZ LYS A 33 -3.791 -25.741 6.078 1.00 21.22 N ATOM 0 H LYS A 33 -3.971 -23.824 0.448 1.00 30.11 H new ATOM 0 HA LYS A 33 -4.532 -26.723 0.343 1.00 71.51 H new ATOM 0 HB2 LYS A 33 -4.408 -27.034 2.743 1.00 73.23 H new ATOM 0 HB3 LYS A 33 -2.906 -26.224 2.342 1.00 73.23 H new ATOM 0 HG2 LYS A 33 -4.728 -24.098 2.710 1.00 12.44 H new ATOM 0 HG3 LYS A 33 -5.177 -25.244 3.957 1.00 12.44 H new ATOM 0 HD2 LYS A 33 -2.360 -25.279 4.029 1.00 72.32 H new ATOM 0 HD3 LYS A 33 -2.734 -23.593 3.732 1.00 72.32 H new ATOM 0 HE2 LYS A 33 -2.759 -23.868 6.155 1.00 64.21 H new ATOM 0 HE3 LYS A 33 -4.441 -23.741 5.678 1.00 64.21 H new ATOM 0 HZ1 LYS A 33 -4.779 -25.829 6.389 1.00 21.22 H new ATOM 0 HZ2 LYS A 33 -3.607 -26.421 5.313 1.00 21.22 H new ATOM 0 HZ3 LYS A 33 -3.157 -25.940 6.878 1.00 21.22 H new ATOM 550 N LYS A 34 -6.901 -26.164 1.198 1.00 55.30 N ATOM 551 CA LYS A 34 -8.323 -25.724 1.263 1.00 25.31 C ATOM 552 C LYS A 34 -8.707 -25.399 2.709 1.00 50.10 C ATOM 553 O LYS A 34 -9.583 -26.020 3.280 1.00 1.13 O ATOM 554 CB LYS A 34 -9.123 -26.920 0.749 1.00 55.43 C ATOM 555 CG LYS A 34 -10.605 -26.551 0.663 1.00 23.44 C ATOM 556 CD LYS A 34 -11.454 -27.802 0.899 1.00 61.22 C ATOM 557 CE LYS A 34 -12.909 -27.514 0.524 1.00 63.14 C ATOM 558 NZ LYS A 34 -13.397 -28.772 -0.108 1.00 34.11 N ATOM 0 H LYS A 34 -6.754 -27.167 1.310 1.00 55.30 H new ATOM 0 HA LYS A 34 -8.510 -24.824 0.677 1.00 25.31 H new ATOM 0 HB2 LYS A 34 -8.756 -27.221 -0.232 1.00 55.43 H new ATOM 0 HB3 LYS A 34 -8.989 -27.773 1.415 1.00 55.43 H new ATOM 0 HG2 LYS A 34 -10.845 -25.790 1.405 1.00 23.44 H new ATOM 0 HG3 LYS A 34 -10.829 -26.125 -0.315 1.00 23.44 H new ATOM 0 HD2 LYS A 34 -11.072 -28.631 0.303 1.00 61.22 H new ATOM 0 HD3 LYS A 34 -11.391 -28.105 1.944 1.00 61.22 H new ATOM 0 HE2 LYS A 34 -13.500 -27.258 1.403 1.00 63.14 H new ATOM 0 HE3 LYS A 34 -12.981 -26.672 -0.165 1.00 63.14 H new ATOM 0 HZ1 LYS A 34 -14.390 -28.654 -0.394 1.00 34.11 H new ATOM 0 HZ2 LYS A 34 -12.819 -28.987 -0.946 1.00 34.11 H new ATOM 0 HZ3 LYS A 34 -13.323 -29.554 0.573 1.00 34.11 H new ATOM 572 N ASP A 35 -8.055 -24.442 3.311 1.00 14.31 N ATOM 573 CA ASP A 35 -8.385 -24.105 4.727 1.00 31.22 C ATOM 574 C ASP A 35 -9.184 -22.799 4.815 1.00 22.51 C ATOM 575 O ASP A 35 -10.362 -22.804 5.114 1.00 11.52 O ATOM 576 CB ASP A 35 -7.030 -23.947 5.419 1.00 70.25 C ATOM 577 CG ASP A 35 -7.231 -23.321 6.802 1.00 61.53 C ATOM 578 OD1 ASP A 35 -8.270 -23.564 7.394 1.00 41.50 O ATOM 579 OD2 ASP A 35 -6.342 -22.614 7.244 1.00 53.31 O ATOM 0 H ASP A 35 -7.314 -23.882 2.889 1.00 14.31 H new ATOM 0 HA ASP A 35 -9.003 -24.874 5.190 1.00 31.22 H new ATOM 0 HB2 ASP A 35 -6.544 -24.918 5.515 1.00 70.25 H new ATOM 0 HB3 ASP A 35 -6.373 -23.320 4.816 1.00 70.25 H new ATOM 584 N ASP A 36 -8.554 -21.684 4.572 1.00 30.34 N ATOM 585 CA ASP A 36 -9.281 -20.385 4.660 1.00 34.12 C ATOM 586 C ASP A 36 -8.463 -19.265 4.016 1.00 45.20 C ATOM 587 O ASP A 36 -7.324 -19.452 3.628 1.00 43.33 O ATOM 588 CB ASP A 36 -9.454 -20.125 6.155 1.00 24.51 C ATOM 589 CG ASP A 36 -10.865 -20.532 6.583 1.00 42.40 C ATOM 590 OD1 ASP A 36 -11.711 -20.670 5.715 1.00 1.14 O ATOM 591 OD2 ASP A 36 -11.078 -20.700 7.773 1.00 72.03 O ATOM 0 H ASP A 36 -7.569 -21.615 4.317 1.00 30.34 H new ATOM 0 HA ASP A 36 -10.236 -20.418 4.136 1.00 34.12 H new ATOM 0 HB2 ASP A 36 -8.713 -20.690 6.721 1.00 24.51 H new ATOM 0 HB3 ASP A 36 -9.286 -19.070 6.374 1.00 24.51 H new ATOM 596 N PHE A 37 -9.036 -18.100 3.905 1.00 71.14 N ATOM 597 CA PHE A 37 -8.303 -16.955 3.294 1.00 10.12 C ATOM 598 C PHE A 37 -8.226 -15.796 4.291 1.00 52.44 C ATOM 599 O PHE A 37 -9.175 -15.058 4.474 1.00 44.12 O ATOM 600 CB PHE A 37 -9.153 -16.552 2.091 1.00 71.15 C ATOM 601 CG PHE A 37 -8.861 -17.463 0.924 1.00 13.15 C ATOM 602 CD1 PHE A 37 -7.806 -17.168 0.051 1.00 3.20 C ATOM 603 CD2 PHE A 37 -9.650 -18.601 0.709 1.00 52.32 C ATOM 604 CE1 PHE A 37 -7.543 -18.011 -1.036 1.00 64.02 C ATOM 605 CE2 PHE A 37 -9.382 -19.444 -0.376 1.00 41.21 C ATOM 606 CZ PHE A 37 -8.329 -19.148 -1.248 1.00 51.01 C ATOM 0 H PHE A 37 -9.986 -17.890 4.213 1.00 71.14 H new ATOM 0 HA PHE A 37 -7.282 -17.214 3.014 1.00 10.12 H new ATOM 0 HB2 PHE A 37 -10.211 -16.605 2.349 1.00 71.15 H new ATOM 0 HB3 PHE A 37 -8.943 -15.518 1.817 1.00 71.15 H new ATOM 0 HD1 PHE A 37 -7.196 -16.292 0.216 1.00 3.20 H new ATOM 0 HD2 PHE A 37 -10.465 -18.828 1.380 1.00 52.32 H new ATOM 0 HE1 PHE A 37 -6.732 -17.783 -1.712 1.00 64.02 H new ATOM 0 HE2 PHE A 37 -9.988 -20.323 -0.540 1.00 41.21 H new ATOM 0 HZ PHE A 37 -8.123 -19.798 -2.086 1.00 51.01 H new ATOM 616 N SER A 38 -7.104 -15.630 4.941 1.00 3.22 N ATOM 617 CA SER A 38 -6.970 -14.518 5.929 1.00 73.15 C ATOM 618 C SER A 38 -5.988 -13.460 5.420 1.00 71.54 C ATOM 619 O SER A 38 -5.771 -12.448 6.056 1.00 72.34 O ATOM 620 CB SER A 38 -6.435 -15.178 7.199 1.00 43.13 C ATOM 621 OG SER A 38 -6.472 -14.238 8.266 1.00 13.42 O ATOM 0 H SER A 38 -6.276 -16.215 4.831 1.00 3.22 H new ATOM 0 HA SER A 38 -7.918 -14.008 6.100 1.00 73.15 H new ATOM 0 HB2 SER A 38 -7.035 -16.053 7.449 1.00 43.13 H new ATOM 0 HB3 SER A 38 -5.414 -15.526 7.040 1.00 43.13 H new ATOM 0 HG SER A 38 -6.338 -13.335 7.911 1.00 13.42 H new ATOM 627 N ARG A 39 -5.383 -13.683 4.285 1.00 41.45 N ATOM 628 CA ARG A 39 -4.408 -12.685 3.755 1.00 72.33 C ATOM 629 C ARG A 39 -5.033 -11.864 2.626 1.00 41.42 C ATOM 630 O ARG A 39 -4.524 -10.830 2.245 1.00 43.14 O ATOM 631 CB ARG A 39 -3.238 -13.510 3.226 1.00 14.14 C ATOM 632 CG ARG A 39 -2.029 -12.594 3.017 1.00 2.44 C ATOM 633 CD ARG A 39 -1.214 -12.519 4.310 1.00 3.20 C ATOM 634 NE ARG A 39 -1.744 -11.328 5.028 1.00 71.43 N ATOM 635 CZ ARG A 39 -2.132 -11.432 6.270 1.00 32.43 C ATOM 636 NH1 ARG A 39 -1.405 -12.099 7.124 1.00 2.02 N ATOM 637 NH2 ARG A 39 -3.244 -10.870 6.656 1.00 12.51 N ATOM 0 H ARG A 39 -5.520 -14.509 3.703 1.00 41.45 H new ATOM 0 HA ARG A 39 -4.097 -11.977 4.523 1.00 72.33 H new ATOM 0 HB2 ARG A 39 -2.990 -14.304 3.930 1.00 14.14 H new ATOM 0 HB3 ARG A 39 -3.512 -13.991 2.287 1.00 14.14 H new ATOM 0 HG2 ARG A 39 -1.408 -12.973 2.205 1.00 2.44 H new ATOM 0 HG3 ARG A 39 -2.361 -11.597 2.726 1.00 2.44 H new ATOM 0 HD2 ARG A 39 -1.333 -13.424 4.905 1.00 3.20 H new ATOM 0 HD3 ARG A 39 -0.150 -12.413 4.101 1.00 3.20 H new ATOM 0 HE ARG A 39 -1.804 -10.429 4.549 1.00 71.43 H new ATOM 0 HH11 ARG A 39 -0.536 -12.538 6.821 1.00 2.02 H new ATOM 0 HH12 ARG A 39 -1.706 -12.182 8.095 1.00 2.02 H new ATOM 0 HH21 ARG A 39 -3.811 -10.349 5.987 1.00 12.51 H new ATOM 0 HH22 ARG A 39 -3.547 -10.952 7.627 1.00 12.51 H new ATOM 651 N VAL A 40 -6.128 -12.317 2.082 1.00 60.51 N ATOM 652 CA VAL A 40 -6.771 -11.555 0.978 1.00 2.01 C ATOM 653 C VAL A 40 -7.264 -10.198 1.493 1.00 55.42 C ATOM 654 O VAL A 40 -7.828 -10.109 2.565 1.00 52.14 O ATOM 655 CB VAL A 40 -7.949 -12.419 0.527 1.00 1.05 C ATOM 656 CG1 VAL A 40 -8.949 -12.564 1.674 1.00 65.21 C ATOM 657 CG2 VAL A 40 -8.637 -11.759 -0.669 1.00 22.11 C ATOM 0 H VAL A 40 -6.603 -13.178 2.353 1.00 60.51 H new ATOM 0 HA VAL A 40 -6.081 -11.354 0.159 1.00 2.01 H new ATOM 0 HB VAL A 40 -7.584 -13.405 0.239 1.00 1.05 H new ATOM 0 HG11 VAL A 40 -9.788 -13.180 1.350 1.00 65.21 H new ATOM 0 HG12 VAL A 40 -8.460 -13.036 2.526 1.00 65.21 H new ATOM 0 HG13 VAL A 40 -9.314 -11.579 1.965 1.00 65.21 H new ATOM 0 HG21 VAL A 40 -9.477 -12.375 -0.991 1.00 22.11 H new ATOM 0 HG22 VAL A 40 -9.000 -10.772 -0.381 1.00 22.11 H new ATOM 0 HG23 VAL A 40 -7.925 -11.659 -1.489 1.00 22.11 H new ATOM 667 N PRO A 41 -7.023 -9.187 0.708 1.00 22.15 N ATOM 668 CA PRO A 41 -7.438 -7.810 1.082 1.00 3.31 C ATOM 669 C PRO A 41 -8.964 -7.684 1.049 1.00 0.22 C ATOM 670 O PRO A 41 -9.619 -8.184 0.158 1.00 34.23 O ATOM 671 CB PRO A 41 -6.790 -6.939 0.006 1.00 42.44 C ATOM 672 CG PRO A 41 -6.602 -7.852 -1.160 1.00 41.21 C ATOM 673 CD PRO A 41 -6.354 -9.226 -0.594 1.00 31.33 C ATOM 0 HA PRO A 41 -7.136 -7.527 2.090 1.00 3.31 H new ATOM 0 HB2 PRO A 41 -7.425 -6.092 -0.253 1.00 42.44 H new ATOM 0 HB3 PRO A 41 -5.838 -6.531 0.347 1.00 42.44 H new ATOM 0 HG2 PRO A 41 -7.484 -7.850 -1.800 1.00 41.21 H new ATOM 0 HG3 PRO A 41 -5.762 -7.528 -1.774 1.00 41.21 H new ATOM 0 HD2 PRO A 41 -6.768 -10.004 -1.235 1.00 31.33 H new ATOM 0 HD3 PRO A 41 -5.288 -9.431 -0.491 1.00 31.33 H new ATOM 681 N GLU A 42 -9.533 -7.022 2.020 1.00 51.40 N ATOM 682 CA GLU A 42 -11.016 -6.871 2.050 1.00 15.33 C ATOM 683 C GLU A 42 -11.504 -6.145 0.793 1.00 51.32 C ATOM 684 O GLU A 42 -12.678 -6.146 0.483 1.00 11.24 O ATOM 685 CB GLU A 42 -11.307 -6.039 3.297 1.00 52.43 C ATOM 686 CG GLU A 42 -12.608 -6.522 3.939 1.00 12.31 C ATOM 687 CD GLU A 42 -13.203 -5.407 4.798 1.00 24.34 C ATOM 688 OE1 GLU A 42 -12.505 -4.922 5.671 1.00 1.25 O ATOM 689 OE2 GLU A 42 -14.350 -5.058 4.568 1.00 32.33 O ATOM 0 H GLU A 42 -9.036 -6.580 2.793 1.00 51.40 H new ATOM 0 HA GLU A 42 -11.526 -7.834 2.076 1.00 15.33 H new ATOM 0 HB2 GLU A 42 -10.484 -6.127 4.006 1.00 52.43 H new ATOM 0 HB3 GLU A 42 -11.389 -4.985 3.033 1.00 52.43 H new ATOM 0 HG2 GLU A 42 -13.318 -6.818 3.167 1.00 12.31 H new ATOM 0 HG3 GLU A 42 -12.417 -7.404 4.551 1.00 12.31 H new ATOM 696 N GLU A 43 -10.613 -5.532 0.064 1.00 22.41 N ATOM 697 CA GLU A 43 -11.035 -4.814 -1.172 1.00 12.34 C ATOM 698 C GLU A 43 -11.392 -5.832 -2.255 1.00 51.02 C ATOM 699 O GLU A 43 -12.386 -5.706 -2.944 1.00 55.52 O ATOM 700 CB GLU A 43 -9.817 -3.989 -1.589 1.00 1.24 C ATOM 701 CG GLU A 43 -9.688 -2.771 -0.674 1.00 21.00 C ATOM 702 CD GLU A 43 -10.689 -1.697 -1.104 1.00 44.22 C ATOM 703 OE1 GLU A 43 -10.371 -0.944 -2.011 1.00 55.13 O ATOM 704 OE2 GLU A 43 -11.759 -1.644 -0.518 1.00 31.42 O ATOM 0 H GLU A 43 -9.614 -5.497 0.269 1.00 22.41 H new ATOM 0 HA GLU A 43 -11.911 -4.185 -1.015 1.00 12.34 H new ATOM 0 HB2 GLU A 43 -8.915 -4.598 -1.531 1.00 1.24 H new ATOM 0 HB3 GLU A 43 -9.919 -3.669 -2.626 1.00 1.24 H new ATOM 0 HG2 GLU A 43 -9.872 -3.060 0.361 1.00 21.00 H new ATOM 0 HG3 GLU A 43 -8.673 -2.376 -0.719 1.00 21.00 H new ATOM 711 N LEU A 44 -10.589 -6.846 -2.399 1.00 52.01 N ATOM 712 CA LEU A 44 -10.870 -7.887 -3.425 1.00 65.11 C ATOM 713 C LEU A 44 -11.842 -8.926 -2.860 1.00 41.11 C ATOM 714 O LEU A 44 -12.782 -9.331 -3.513 1.00 3.41 O ATOM 715 CB LEU A 44 -9.515 -8.527 -3.715 1.00 10.13 C ATOM 716 CG LEU A 44 -9.186 -8.385 -5.202 1.00 71.32 C ATOM 717 CD1 LEU A 44 -10.331 -8.959 -6.039 1.00 44.01 C ATOM 718 CD2 LEU A 44 -8.999 -6.904 -5.542 1.00 52.33 C ATOM 0 H LEU A 44 -9.745 -7.000 -1.847 1.00 52.01 H new ATOM 0 HA LEU A 44 -11.327 -7.474 -4.324 1.00 65.11 H new ATOM 0 HB2 LEU A 44 -8.741 -8.050 -3.114 1.00 10.13 H new ATOM 0 HB3 LEU A 44 -9.532 -9.580 -3.435 1.00 10.13 H new ATOM 0 HG LEU A 44 -8.268 -8.930 -5.424 1.00 71.32 H new ATOM 0 HD11 LEU A 44 -10.094 -8.857 -7.098 1.00 44.01 H new ATOM 0 HD12 LEU A 44 -10.465 -10.013 -5.797 1.00 44.01 H new ATOM 0 HD13 LEU A 44 -11.250 -8.416 -5.819 1.00 44.01 H new ATOM 0 HD21 LEU A 44 -8.764 -6.801 -6.601 1.00 52.33 H new ATOM 0 HD22 LEU A 44 -9.917 -6.361 -5.319 1.00 52.33 H new ATOM 0 HD23 LEU A 44 -8.182 -6.495 -4.948 1.00 52.33 H new ATOM 730 N MET A 45 -11.620 -9.358 -1.649 1.00 42.43 N ATOM 731 CA MET A 45 -12.530 -10.370 -1.040 1.00 43.20 C ATOM 732 C MET A 45 -13.972 -9.857 -1.047 1.00 62.54 C ATOM 733 O MET A 45 -14.909 -10.615 -1.200 1.00 51.20 O ATOM 734 CB MET A 45 -12.027 -10.544 0.393 1.00 21.52 C ATOM 735 CG MET A 45 -13.007 -11.420 1.175 1.00 4.41 C ATOM 736 SD MET A 45 -12.086 -12.573 2.223 1.00 53.14 S ATOM 737 CE MET A 45 -11.648 -13.761 0.929 1.00 51.45 C ATOM 0 H MET A 45 -10.848 -9.054 -1.055 1.00 42.43 H new ATOM 0 HA MET A 45 -12.527 -11.312 -1.589 1.00 43.20 H new ATOM 0 HB2 MET A 45 -11.037 -11.001 0.389 1.00 21.52 H new ATOM 0 HB3 MET A 45 -11.927 -9.572 0.875 1.00 21.52 H new ATOM 0 HG2 MET A 45 -13.659 -10.797 1.788 1.00 4.41 H new ATOM 0 HG3 MET A 45 -13.648 -11.971 0.486 1.00 4.41 H new ATOM 0 HE1 MET A 45 -10.935 -14.484 1.325 1.00 51.45 H new ATOM 0 HE2 MET A 45 -12.545 -14.281 0.594 1.00 51.45 H new ATOM 0 HE3 MET A 45 -11.199 -13.233 0.087 1.00 51.45 H new ATOM 747 N LYS A 46 -14.159 -8.576 -0.887 1.00 71.43 N ATOM 748 CA LYS A 46 -15.542 -8.023 -0.891 1.00 45.13 C ATOM 749 C LYS A 46 -16.316 -8.569 -2.094 1.00 23.20 C ATOM 750 O LYS A 46 -17.428 -9.041 -1.968 1.00 22.33 O ATOM 751 CB LYS A 46 -15.364 -6.508 -1.004 1.00 41.44 C ATOM 752 CG LYS A 46 -16.709 -5.820 -0.769 1.00 60.34 C ATOM 753 CD LYS A 46 -16.608 -4.347 -1.172 1.00 43.32 C ATOM 754 CE LYS A 46 -17.924 -3.904 -1.818 1.00 55.31 C ATOM 755 NZ LYS A 46 -18.570 -3.021 -0.809 1.00 34.32 N ATOM 0 H LYS A 46 -13.416 -7.890 -0.754 1.00 71.43 H new ATOM 0 HA LYS A 46 -16.104 -8.297 0.002 1.00 45.13 H new ATOM 0 HB2 LYS A 46 -14.633 -6.161 -0.274 1.00 41.44 H new ATOM 0 HB3 LYS A 46 -14.978 -6.249 -1.990 1.00 41.44 H new ATOM 0 HG2 LYS A 46 -17.488 -6.314 -1.350 1.00 60.34 H new ATOM 0 HG3 LYS A 46 -16.993 -5.902 0.280 1.00 60.34 H new ATOM 0 HD2 LYS A 46 -16.395 -3.733 -0.297 1.00 43.32 H new ATOM 0 HD3 LYS A 46 -15.782 -4.205 -1.869 1.00 43.32 H new ATOM 0 HE2 LYS A 46 -17.746 -3.371 -2.752 1.00 55.31 H new ATOM 0 HE3 LYS A 46 -18.555 -4.760 -2.055 1.00 55.31 H new ATOM 0 HZ1 LYS A 46 -19.479 -2.677 -1.180 1.00 34.32 H new ATOM 0 HZ2 LYS A 46 -18.734 -3.557 0.067 1.00 34.32 H new ATOM 0 HZ3 LYS A 46 -17.949 -2.211 -0.608 1.00 34.32 H new ATOM 769 N GLY A 47 -15.733 -8.511 -3.261 1.00 10.22 N ATOM 770 CA GLY A 47 -16.430 -9.034 -4.469 1.00 53.25 C ATOM 771 C GLY A 47 -16.519 -10.557 -4.383 1.00 32.40 C ATOM 772 O GLY A 47 -17.486 -11.159 -4.802 1.00 53.11 O ATOM 0 H GLY A 47 -14.804 -8.124 -3.429 1.00 10.22 H new ATOM 0 HA2 GLY A 47 -17.429 -8.604 -4.541 1.00 53.25 H new ATOM 0 HA3 GLY A 47 -15.891 -8.740 -5.370 1.00 53.25 H new ATOM 776 N PHE A 48 -15.514 -11.185 -3.836 1.00 20.53 N ATOM 777 CA PHE A 48 -15.540 -12.673 -3.720 1.00 64.20 C ATOM 778 C PHE A 48 -16.565 -13.099 -2.664 1.00 74.20 C ATOM 779 O PHE A 48 -17.396 -13.952 -2.901 1.00 15.34 O ATOM 780 CB PHE A 48 -14.124 -13.057 -3.286 1.00 53.12 C ATOM 781 CG PHE A 48 -13.679 -14.286 -4.043 1.00 1.53 C ATOM 782 CD1 PHE A 48 -14.538 -15.385 -4.167 1.00 60.01 C ATOM 783 CD2 PHE A 48 -12.405 -14.326 -4.623 1.00 41.04 C ATOM 784 CE1 PHE A 48 -14.121 -16.523 -4.869 1.00 22.41 C ATOM 785 CE2 PHE A 48 -11.989 -15.464 -5.324 1.00 74.50 C ATOM 786 CZ PHE A 48 -12.848 -16.562 -5.448 1.00 43.04 C ATOM 0 H PHE A 48 -14.678 -10.734 -3.465 1.00 20.53 H new ATOM 0 HA PHE A 48 -15.825 -13.160 -4.652 1.00 64.20 H new ATOM 0 HB2 PHE A 48 -13.438 -12.232 -3.476 1.00 53.12 H new ATOM 0 HB3 PHE A 48 -14.101 -13.250 -2.213 1.00 53.12 H new ATOM 0 HD1 PHE A 48 -15.521 -15.355 -3.722 1.00 60.01 H new ATOM 0 HD2 PHE A 48 -11.743 -13.478 -4.529 1.00 41.04 H new ATOM 0 HE1 PHE A 48 -14.783 -17.371 -4.963 1.00 22.41 H new ATOM 0 HE2 PHE A 48 -11.005 -15.495 -5.769 1.00 74.50 H new ATOM 0 HZ PHE A 48 -12.528 -17.439 -5.991 1.00 43.04 H new ATOM 796 N GLY A 49 -16.513 -12.511 -1.498 1.00 15.22 N ATOM 797 CA GLY A 49 -17.481 -12.887 -0.430 1.00 61.44 C ATOM 798 C GLY A 49 -17.236 -14.337 -0.015 1.00 12.41 C ATOM 799 O GLY A 49 -16.309 -14.637 0.711 1.00 5.42 O ATOM 0 H GLY A 49 -15.842 -11.787 -1.241 1.00 15.22 H new ATOM 0 HA2 GLY A 49 -17.367 -12.226 0.429 1.00 61.44 H new ATOM 0 HA3 GLY A 49 -18.503 -12.767 -0.791 1.00 61.44 H new ATOM 803 N GLN A 50 -18.053 -15.243 -0.477 1.00 65.02 N ATOM 804 CA GLN A 50 -17.861 -16.675 -0.116 1.00 60.32 C ATOM 805 C GLN A 50 -17.314 -17.443 -1.323 1.00 41.32 C ATOM 806 O GLN A 50 -18.006 -17.625 -2.304 1.00 31.01 O ATOM 807 CB GLN A 50 -19.252 -17.181 0.261 1.00 60.53 C ATOM 808 CG GLN A 50 -19.465 -17.016 1.768 1.00 50.02 C ATOM 809 CD GLN A 50 -19.633 -15.532 2.100 1.00 64.12 C ATOM 810 OE1 GLN A 50 -18.578 -14.807 2.345 1.00 60.43 O flip ATOM 811 NE2 GLN A 50 -20.738 -15.028 2.139 1.00 73.14 N flip ATOM 0 H GLN A 50 -18.846 -15.053 -1.090 1.00 65.02 H new ATOM 0 HA GLN A 50 -17.151 -16.809 0.700 1.00 60.32 H new ATOM 0 HB2 GLN A 50 -20.013 -16.626 -0.287 1.00 60.53 H new ATOM 0 HB3 GLN A 50 -19.358 -18.229 -0.019 1.00 60.53 H new ATOM 0 HG2 GLN A 50 -20.347 -17.573 2.084 1.00 50.02 H new ATOM 0 HG3 GLN A 50 -18.616 -17.428 2.313 1.00 50.02 H new ATOM 0 HE21 GLN A 50 -21.564 -15.595 1.947 1.00 73.14 H new ATOM 0 HE22 GLN A 50 -20.839 -14.038 2.363 1.00 73.14 H new ATOM 820 N PRO A 51 -16.083 -17.861 -1.210 1.00 70.40 N ATOM 821 CA PRO A 51 -15.433 -18.610 -2.312 1.00 44.02 C ATOM 822 C PRO A 51 -15.999 -20.029 -2.410 1.00 52.10 C ATOM 823 O PRO A 51 -16.645 -20.516 -1.506 1.00 64.23 O ATOM 824 CB PRO A 51 -13.962 -18.641 -1.904 1.00 3.03 C ATOM 825 CG PRO A 51 -13.969 -18.489 -0.416 1.00 22.40 C ATOM 826 CD PRO A 51 -15.190 -17.680 -0.060 1.00 51.03 C ATOM 0 HA PRO A 51 -15.593 -18.154 -3.289 1.00 44.02 H new ATOM 0 HB2 PRO A 51 -13.489 -19.577 -2.203 1.00 3.03 H new ATOM 0 HB3 PRO A 51 -13.403 -17.835 -2.380 1.00 3.03 H new ATOM 0 HG2 PRO A 51 -13.997 -19.464 0.071 1.00 22.40 H new ATOM 0 HG3 PRO A 51 -13.062 -17.989 -0.075 1.00 22.40 H new ATOM 0 HD2 PRO A 51 -15.650 -18.036 0.862 1.00 51.03 H new ATOM 0 HD3 PRO A 51 -14.942 -16.629 0.092 1.00 51.03 H new ATOM 834 N GLN A 52 -15.759 -20.698 -3.506 1.00 20.42 N ATOM 835 CA GLN A 52 -16.278 -22.085 -3.668 1.00 62.05 C ATOM 836 C GLN A 52 -15.183 -22.989 -4.240 1.00 24.34 C ATOM 837 O GLN A 52 -14.228 -22.523 -4.832 1.00 42.22 O ATOM 838 CB GLN A 52 -17.442 -21.967 -4.653 1.00 62.52 C ATOM 839 CG GLN A 52 -18.361 -20.817 -4.235 1.00 70.35 C ATOM 840 CD GLN A 52 -19.164 -21.225 -3.001 1.00 41.54 C ATOM 841 OE1 GLN A 52 -19.119 -20.477 -1.933 1.00 52.04 O flip ATOM 842 NE2 GLN A 52 -19.841 -22.236 -3.008 1.00 11.35 N flip ATOM 0 H GLN A 52 -15.224 -20.341 -4.298 1.00 20.42 H new ATOM 0 HA GLN A 52 -16.594 -22.521 -2.720 1.00 62.05 H new ATOM 0 HB2 GLN A 52 -17.062 -21.793 -5.660 1.00 62.52 H new ATOM 0 HB3 GLN A 52 -18.003 -22.901 -4.681 1.00 62.52 H new ATOM 0 HG2 GLN A 52 -17.771 -19.927 -4.019 1.00 70.35 H new ATOM 0 HG3 GLN A 52 -19.036 -20.562 -5.052 1.00 70.35 H new ATOM 0 HE21 GLN A 52 -19.876 -22.821 -3.843 1.00 11.35 H new ATOM 0 HE22 GLN A 52 -20.374 -22.499 -2.179 1.00 11.35 H new ATOM 851 N LEU A 53 -15.311 -24.277 -4.075 1.00 32.00 N ATOM 852 CA LEU A 53 -14.275 -25.203 -4.614 1.00 53.34 C ATOM 853 C LEU A 53 -14.647 -25.642 -6.033 1.00 71.24 C ATOM 854 O LEU A 53 -15.468 -26.516 -6.228 1.00 60.15 O ATOM 855 CB LEU A 53 -14.279 -26.403 -3.664 1.00 60.52 C ATOM 856 CG LEU A 53 -12.932 -27.122 -3.752 1.00 10.11 C ATOM 857 CD1 LEU A 53 -12.750 -27.697 -5.159 1.00 60.53 C ATOM 858 CD2 LEU A 53 -11.807 -26.128 -3.461 1.00 12.03 C ATOM 0 H LEU A 53 -16.087 -24.728 -3.591 1.00 32.00 H new ATOM 0 HA LEU A 53 -13.293 -24.734 -4.672 1.00 53.34 H new ATOM 0 HB2 LEU A 53 -14.461 -26.071 -2.642 1.00 60.52 H new ATOM 0 HB3 LEU A 53 -15.087 -27.086 -3.926 1.00 60.52 H new ATOM 0 HG LEU A 53 -12.904 -27.931 -3.022 1.00 10.11 H new ATOM 0 HD11 LEU A 53 -11.790 -28.209 -5.221 1.00 60.53 H new ATOM 0 HD12 LEU A 53 -13.553 -28.404 -5.370 1.00 60.53 H new ATOM 0 HD13 LEU A 53 -12.778 -26.888 -5.889 1.00 60.53 H new ATOM 0 HD21 LEU A 53 -10.846 -26.638 -3.523 1.00 12.03 H new ATOM 0 HD22 LEU A 53 -11.837 -25.320 -4.192 1.00 12.03 H new ATOM 0 HD23 LEU A 53 -11.935 -25.716 -2.460 1.00 12.03 H new ATOM 870 N ALA A 54 -14.046 -25.041 -7.024 1.00 15.13 N ATOM 871 CA ALA A 54 -14.368 -25.423 -8.428 1.00 32.11 C ATOM 872 C ALA A 54 -13.369 -26.471 -8.931 1.00 1.20 C ATOM 873 O ALA A 54 -13.748 -27.503 -9.449 1.00 33.33 O ATOM 874 CB ALA A 54 -14.234 -24.129 -9.231 1.00 64.43 C ATOM 0 H ALA A 54 -13.348 -24.304 -6.922 1.00 15.13 H new ATOM 0 HA ALA A 54 -15.363 -25.859 -8.520 1.00 32.11 H new ATOM 0 HB1 ALA A 54 -14.456 -24.327 -10.280 1.00 64.43 H new ATOM 0 HB2 ALA A 54 -14.934 -23.387 -8.846 1.00 64.43 H new ATOM 0 HB3 ALA A 54 -13.216 -23.749 -9.141 1.00 64.43 H new ATOM 880 N MET A 55 -12.100 -26.213 -8.784 1.00 21.01 N ATOM 881 CA MET A 55 -11.083 -27.197 -9.257 1.00 73.51 C ATOM 882 C MET A 55 -9.920 -27.279 -8.264 1.00 63.20 C ATOM 883 O MET A 55 -9.428 -26.277 -7.784 1.00 43.21 O ATOM 884 CB MET A 55 -10.601 -26.650 -10.601 1.00 61.03 C ATOM 885 CG MET A 55 -11.198 -27.487 -11.735 1.00 72.52 C ATOM 886 SD MET A 55 -10.241 -29.011 -11.925 1.00 3.42 S ATOM 887 CE MET A 55 -11.620 -30.091 -12.387 1.00 75.13 C ATOM 0 H MET A 55 -11.722 -25.367 -8.358 1.00 21.01 H new ATOM 0 HA MET A 55 -11.493 -28.203 -9.347 1.00 73.51 H new ATOM 0 HB2 MET A 55 -10.898 -25.607 -10.709 1.00 61.03 H new ATOM 0 HB3 MET A 55 -9.512 -26.678 -10.648 1.00 61.03 H new ATOM 0 HG2 MET A 55 -12.240 -27.723 -11.518 1.00 72.52 H new ATOM 0 HG3 MET A 55 -11.187 -26.919 -12.665 1.00 72.52 H new ATOM 0 HE1 MET A 55 -11.250 -31.102 -12.555 1.00 75.13 H new ATOM 0 HE2 MET A 55 -12.357 -30.103 -11.584 1.00 75.13 H new ATOM 0 HE3 MET A 55 -12.084 -29.718 -13.300 1.00 75.13 H new ATOM 897 N ILE A 56 -9.473 -28.465 -7.959 1.00 44.30 N ATOM 898 CA ILE A 56 -8.338 -28.613 -7.003 1.00 71.43 C ATOM 899 C ILE A 56 -7.050 -28.932 -7.763 1.00 75.12 C ATOM 900 O ILE A 56 -6.987 -29.875 -8.528 1.00 35.00 O ATOM 901 CB ILE A 56 -8.728 -29.782 -6.098 1.00 43.34 C ATOM 902 CG1 ILE A 56 -10.146 -29.563 -5.561 1.00 72.51 C ATOM 903 CG2 ILE A 56 -7.747 -29.871 -4.928 1.00 62.54 C ATOM 904 CD1 ILE A 56 -11.084 -30.617 -6.149 1.00 61.35 C ATOM 0 H ILE A 56 -9.844 -29.340 -8.330 1.00 44.30 H new ATOM 0 HA ILE A 56 -8.157 -27.702 -6.433 1.00 71.43 H new ATOM 0 HB ILE A 56 -8.696 -30.709 -6.670 1.00 43.34 H new ATOM 0 HG12 ILE A 56 -10.148 -29.626 -4.473 1.00 72.51 H new ATOM 0 HG13 ILE A 56 -10.495 -28.564 -5.823 1.00 72.51 H new ATOM 0 HG21 ILE A 56 -8.025 -30.704 -4.283 1.00 62.54 H new ATOM 0 HG22 ILE A 56 -6.738 -30.029 -5.310 1.00 62.54 H new ATOM 0 HG23 ILE A 56 -7.778 -28.944 -4.356 1.00 62.54 H new ATOM 0 HD11 ILE A 56 -12.093 -30.461 -5.766 1.00 61.35 H new ATOM 0 HD12 ILE A 56 -11.091 -30.532 -7.236 1.00 61.35 H new ATOM 0 HD13 ILE A 56 -10.738 -31.611 -5.865 1.00 61.35 H new ATOM 916 N LEU A 57 -6.020 -28.157 -7.561 1.00 32.22 N ATOM 917 CA LEU A 57 -4.737 -28.423 -8.273 1.00 40.21 C ATOM 918 C LEU A 57 -3.864 -29.374 -7.446 1.00 13.11 C ATOM 919 O LEU A 57 -3.497 -29.069 -6.329 1.00 3.01 O ATOM 920 CB LEU A 57 -4.068 -27.054 -8.408 1.00 61.42 C ATOM 921 CG LEU A 57 -2.748 -27.202 -9.164 1.00 44.22 C ATOM 922 CD1 LEU A 57 -2.894 -26.611 -10.567 1.00 40.23 C ATOM 923 CD2 LEU A 57 -1.645 -26.455 -8.413 1.00 51.30 C ATOM 0 H LEU A 57 -6.011 -27.352 -6.935 1.00 32.22 H new ATOM 0 HA LEU A 57 -4.890 -28.896 -9.243 1.00 40.21 H new ATOM 0 HB2 LEU A 57 -4.727 -26.366 -8.938 1.00 61.42 H new ATOM 0 HB3 LEU A 57 -3.888 -26.627 -7.421 1.00 61.42 H new ATOM 0 HG LEU A 57 -2.489 -28.258 -9.238 1.00 44.22 H new ATOM 0 HD11 LEU A 57 -1.953 -26.717 -11.106 1.00 40.23 H new ATOM 0 HD12 LEU A 57 -3.681 -27.140 -11.104 1.00 40.23 H new ATOM 0 HD13 LEU A 57 -3.153 -25.555 -10.492 1.00 40.23 H new ATOM 0 HD21 LEU A 57 -0.703 -26.560 -8.951 1.00 51.30 H new ATOM 0 HD22 LEU A 57 -1.905 -25.399 -8.340 1.00 51.30 H new ATOM 0 HD23 LEU A 57 -1.539 -26.873 -7.412 1.00 51.30 H new ATOM 935 N PRO A 58 -3.562 -30.503 -8.028 1.00 1.25 N ATOM 936 CA PRO A 58 -2.729 -31.521 -7.343 1.00 30.24 C ATOM 937 C PRO A 58 -1.274 -31.053 -7.263 1.00 2.42 C ATOM 938 O PRO A 58 -0.912 -30.020 -7.790 1.00 1.52 O ATOM 939 CB PRO A 58 -2.854 -32.749 -8.241 1.00 10.11 C ATOM 940 CG PRO A 58 -3.188 -32.205 -9.592 1.00 33.43 C ATOM 941 CD PRO A 58 -3.964 -30.935 -9.371 1.00 41.13 C ATOM 0 HA PRO A 58 -3.045 -31.714 -6.318 1.00 30.24 H new ATOM 0 HB2 PRO A 58 -1.925 -33.318 -8.263 1.00 10.11 H new ATOM 0 HB3 PRO A 58 -3.632 -33.423 -7.883 1.00 10.11 H new ATOM 0 HG2 PRO A 58 -2.281 -32.009 -10.165 1.00 33.43 H new ATOM 0 HG3 PRO A 58 -3.777 -32.923 -10.163 1.00 33.43 H new ATOM 0 HD2 PRO A 58 -3.721 -30.183 -10.122 1.00 41.13 H new ATOM 0 HD3 PRO A 58 -5.039 -31.108 -9.430 1.00 41.13 H new ATOM 949 N LEU A 59 -0.440 -31.813 -6.612 1.00 63.45 N ATOM 950 CA LEU A 59 0.995 -31.417 -6.498 1.00 20.02 C ATOM 951 C LEU A 59 1.865 -32.340 -7.348 1.00 13.20 C ATOM 952 O LEU A 59 2.763 -32.991 -6.853 1.00 24.43 O ATOM 953 CB LEU A 59 1.346 -31.577 -5.025 1.00 41.30 C ATOM 954 CG LEU A 59 1.140 -33.033 -4.604 1.00 53.43 C ATOM 955 CD1 LEU A 59 2.498 -33.672 -4.316 1.00 43.52 C ATOM 956 CD2 LEU A 59 0.276 -33.083 -3.339 1.00 12.04 C ATOM 0 H LEU A 59 -0.687 -32.690 -6.154 1.00 63.45 H new ATOM 0 HA LEU A 59 1.163 -30.398 -6.847 1.00 20.02 H new ATOM 0 HB2 LEU A 59 2.381 -31.281 -4.853 1.00 41.30 H new ATOM 0 HB3 LEU A 59 0.722 -30.921 -4.419 1.00 41.30 H new ATOM 0 HG LEU A 59 0.641 -33.577 -5.406 1.00 53.43 H new ATOM 0 HD11 LEU A 59 2.355 -34.710 -4.016 1.00 43.52 H new ATOM 0 HD12 LEU A 59 3.115 -33.636 -5.214 1.00 43.52 H new ATOM 0 HD13 LEU A 59 2.994 -33.127 -3.513 1.00 43.52 H new ATOM 0 HD21 LEU A 59 0.129 -34.121 -3.039 1.00 12.04 H new ATOM 0 HD22 LEU A 59 0.775 -32.540 -2.536 1.00 12.04 H new ATOM 0 HD23 LEU A 59 -0.692 -32.624 -3.541 1.00 12.04 H new ATOM 1090 N ASN A 67 -6.461 -18.819 -17.098 1.00 5.32 N ATOM 1091 CA ASN A 67 -6.824 -17.566 -16.374 1.00 63.22 C ATOM 1092 C ASN A 67 -5.621 -17.048 -15.579 1.00 32.24 C ATOM 1093 O ASN A 67 -5.084 -15.998 -15.867 1.00 13.10 O ATOM 1094 CB ASN A 67 -7.959 -17.965 -15.432 1.00 1.55 C ATOM 1095 CG ASN A 67 -9.180 -18.391 -16.250 1.00 22.24 C ATOM 1096 OD1 ASN A 67 -9.243 -18.148 -17.440 1.00 43.51 O ATOM 1097 ND2 ASN A 67 -10.158 -19.022 -15.662 1.00 33.31 N ATOM 0 HA ASN A 67 -7.123 -16.768 -17.054 1.00 63.22 H new ATOM 0 HB2 ASN A 67 -7.638 -18.782 -14.786 1.00 1.55 H new ATOM 0 HB3 ASN A 67 -8.217 -17.128 -14.783 1.00 1.55 H new ATOM 0 HD21 ASN A 67 -10.975 -19.311 -16.200 1.00 33.31 H new ATOM 0 HD22 ASN A 67 -10.106 -19.226 -14.664 1.00 33.31 H new ATOM 1104 N ALA A 68 -5.195 -17.775 -14.584 1.00 62.04 N ATOM 1105 CA ALA A 68 -4.028 -17.320 -13.778 1.00 74.33 C ATOM 1106 C ALA A 68 -2.829 -18.236 -14.018 1.00 25.10 C ATOM 1107 O ALA A 68 -2.979 -19.391 -14.363 1.00 21.31 O ATOM 1108 CB ALA A 68 -4.485 -17.416 -12.323 1.00 61.25 C ATOM 0 H ALA A 68 -5.604 -18.663 -14.294 1.00 62.04 H new ATOM 0 HA ALA A 68 -3.717 -16.309 -14.043 1.00 74.33 H new ATOM 0 HB1 ALA A 68 -3.676 -17.096 -11.666 1.00 61.25 H new ATOM 0 HB2 ALA A 68 -5.352 -16.773 -12.171 1.00 61.25 H new ATOM 0 HB3 ALA A 68 -4.753 -18.447 -12.093 1.00 61.25 H new ATOM 1114 N ASP A 69 -1.644 -17.733 -13.830 1.00 54.13 N ATOM 1115 CA ASP A 69 -0.443 -18.582 -14.040 1.00 42.33 C ATOM 1116 C ASP A 69 -0.062 -19.263 -12.726 1.00 0.45 C ATOM 1117 O ASP A 69 0.399 -18.631 -11.796 1.00 3.45 O ATOM 1118 CB ASP A 69 0.654 -17.615 -14.486 1.00 12.21 C ATOM 1119 CG ASP A 69 0.217 -16.908 -15.771 1.00 34.41 C ATOM 1120 OD1 ASP A 69 -0.954 -16.994 -16.103 1.00 70.11 O ATOM 1121 OD2 ASP A 69 1.061 -16.292 -16.401 1.00 75.21 O ATOM 0 H ASP A 69 -1.455 -16.773 -13.541 1.00 54.13 H new ATOM 0 HA ASP A 69 -0.607 -19.369 -14.776 1.00 42.33 H new ATOM 0 HB2 ASP A 69 0.849 -16.882 -13.703 1.00 12.21 H new ATOM 0 HB3 ASP A 69 1.585 -18.156 -14.654 1.00 12.21 H new ATOM 1126 N ILE A 70 -0.257 -20.548 -12.643 1.00 44.01 N ATOM 1127 CA ILE A 70 0.088 -21.273 -11.386 1.00 71.31 C ATOM 1128 C ILE A 70 1.467 -20.822 -10.885 1.00 52.12 C ATOM 1129 O ILE A 70 1.736 -20.811 -9.701 1.00 73.03 O ATOM 1130 CB ILE A 70 0.065 -22.765 -11.778 1.00 42.34 C ATOM 1131 CG1 ILE A 70 -0.802 -23.533 -10.776 1.00 30.42 C ATOM 1132 CG2 ILE A 70 1.479 -23.364 -11.783 1.00 10.33 C ATOM 1133 CD1 ILE A 70 -0.405 -23.145 -9.351 1.00 2.14 C ATOM 0 H ILE A 70 -0.640 -21.129 -13.389 1.00 44.01 H new ATOM 0 HA ILE A 70 -0.604 -21.074 -10.568 1.00 71.31 H new ATOM 0 HB ILE A 70 -0.346 -22.849 -12.784 1.00 42.34 H new ATOM 0 HG12 ILE A 70 -1.855 -23.309 -10.945 1.00 30.42 H new ATOM 0 HG13 ILE A 70 -0.677 -24.606 -10.920 1.00 30.42 H new ATOM 0 HG21 ILE A 70 1.427 -24.416 -12.063 1.00 10.33 H new ATOM 0 HG22 ILE A 70 2.099 -22.827 -12.501 1.00 10.33 H new ATOM 0 HG23 ILE A 70 1.916 -23.274 -10.788 1.00 10.33 H new ATOM 0 HD11 ILE A 70 -1.023 -23.692 -8.639 1.00 2.14 H new ATOM 0 HD12 ILE A 70 0.644 -23.391 -9.186 1.00 2.14 H new ATOM 0 HD13 ILE A 70 -0.552 -22.074 -9.211 1.00 2.14 H new ATOM 1145 N GLU A 71 2.338 -20.449 -11.781 1.00 2.00 N ATOM 1146 CA GLU A 71 3.694 -19.998 -11.359 1.00 15.01 C ATOM 1147 C GLU A 71 3.602 -18.640 -10.656 1.00 54.24 C ATOM 1148 O GLU A 71 4.229 -18.413 -9.639 1.00 71.44 O ATOM 1149 CB GLU A 71 4.492 -19.881 -12.656 1.00 33.13 C ATOM 1150 CG GLU A 71 5.396 -21.105 -12.811 1.00 1.34 C ATOM 1151 CD GLU A 71 6.565 -20.762 -13.737 1.00 64.20 C ATOM 1152 OE1 GLU A 71 6.392 -19.897 -14.579 1.00 42.50 O ATOM 1153 OE2 GLU A 71 7.613 -21.370 -13.587 1.00 35.33 O ATOM 0 H GLU A 71 2.170 -20.437 -12.787 1.00 2.00 H new ATOM 0 HA GLU A 71 4.161 -20.687 -10.656 1.00 15.01 H new ATOM 0 HB2 GLU A 71 3.815 -19.806 -13.507 1.00 33.13 H new ATOM 0 HB3 GLU A 71 5.092 -18.971 -12.645 1.00 33.13 H new ATOM 0 HG2 GLU A 71 5.770 -21.420 -11.837 1.00 1.34 H new ATOM 0 HG3 GLU A 71 4.828 -21.941 -13.219 1.00 1.34 H new ATOM 1160 N LYS A 72 2.825 -17.737 -11.188 1.00 64.01 N ATOM 1161 CA LYS A 72 2.693 -16.394 -10.549 1.00 52.42 C ATOM 1162 C LYS A 72 2.004 -16.520 -9.186 1.00 64.12 C ATOM 1163 O LYS A 72 1.964 -15.585 -8.413 1.00 32.53 O ATOM 1164 CB LYS A 72 1.829 -15.580 -11.513 1.00 11.52 C ATOM 1165 CG LYS A 72 2.679 -15.126 -12.703 1.00 24.11 C ATOM 1166 CD LYS A 72 2.452 -13.633 -12.950 1.00 2.44 C ATOM 1167 CE LYS A 72 1.072 -13.424 -13.579 1.00 22.24 C ATOM 1168 NZ LYS A 72 1.063 -12.001 -14.020 1.00 23.41 N ATOM 0 H LYS A 72 2.275 -17.869 -12.037 1.00 64.01 H new ATOM 0 HA LYS A 72 3.661 -15.924 -10.372 1.00 52.42 H new ATOM 0 HB2 LYS A 72 0.989 -16.181 -11.861 1.00 11.52 H new ATOM 0 HB3 LYS A 72 1.411 -14.714 -11.000 1.00 11.52 H new ATOM 0 HG2 LYS A 72 3.734 -15.317 -12.504 1.00 24.11 H new ATOM 0 HG3 LYS A 72 2.414 -15.697 -13.592 1.00 24.11 H new ATOM 0 HD2 LYS A 72 2.523 -13.083 -12.011 1.00 2.44 H new ATOM 0 HD3 LYS A 72 3.227 -13.240 -13.608 1.00 2.44 H new ATOM 0 HE2 LYS A 72 0.915 -14.099 -14.420 1.00 22.24 H new ATOM 0 HE3 LYS A 72 0.276 -13.620 -12.860 1.00 22.24 H new ATOM 0 HZ1 LYS A 72 0.148 -11.780 -14.462 1.00 23.41 H new ATOM 0 HZ2 LYS A 72 1.208 -11.382 -13.197 1.00 23.41 H new ATOM 0 HZ3 LYS A 72 1.827 -11.846 -14.709 1.00 23.41 H new ATOM 1182 N VAL A 73 1.458 -17.668 -8.889 1.00 13.41 N ATOM 1183 CA VAL A 73 0.771 -17.858 -7.577 1.00 44.10 C ATOM 1184 C VAL A 73 1.735 -18.452 -6.544 1.00 63.13 C ATOM 1185 O VAL A 73 1.566 -18.280 -5.353 1.00 41.31 O ATOM 1186 CB VAL A 73 -0.366 -18.839 -7.866 1.00 62.31 C ATOM 1187 CG1 VAL A 73 -1.137 -19.120 -6.574 1.00 23.12 C ATOM 1188 CG2 VAL A 73 -1.314 -18.231 -8.899 1.00 72.45 C ATOM 0 H VAL A 73 1.458 -18.485 -9.499 1.00 13.41 H new ATOM 0 HA VAL A 73 0.410 -16.915 -7.166 1.00 44.10 H new ATOM 0 HB VAL A 73 0.048 -19.770 -8.254 1.00 62.31 H new ATOM 0 HG11 VAL A 73 -1.948 -19.819 -6.779 1.00 23.12 H new ATOM 0 HG12 VAL A 73 -0.463 -19.553 -5.835 1.00 23.12 H new ATOM 0 HG13 VAL A 73 -1.550 -18.189 -6.187 1.00 23.12 H new ATOM 0 HG21 VAL A 73 -2.124 -18.930 -9.105 1.00 72.45 H new ATOM 0 HG22 VAL A 73 -1.728 -17.301 -8.510 1.00 72.45 H new ATOM 0 HG23 VAL A 73 -0.767 -18.028 -9.820 1.00 72.45 H new ATOM 1198 N LYS A 74 2.734 -19.161 -6.992 1.00 10.41 N ATOM 1199 CA LYS A 74 3.701 -19.785 -6.039 1.00 31.44 C ATOM 1200 C LYS A 74 4.294 -18.741 -5.090 1.00 30.12 C ATOM 1201 O LYS A 74 4.258 -18.897 -3.885 1.00 71.04 O ATOM 1202 CB LYS A 74 4.794 -20.380 -6.928 1.00 61.05 C ATOM 1203 CG LYS A 74 4.198 -21.506 -7.775 1.00 25.33 C ATOM 1204 CD LYS A 74 3.811 -22.675 -6.868 1.00 2.22 C ATOM 1205 CE LYS A 74 2.304 -22.919 -6.963 1.00 61.31 C ATOM 1206 NZ LYS A 74 2.171 -24.293 -7.521 1.00 61.43 N ATOM 0 H LYS A 74 2.925 -19.337 -7.978 1.00 10.41 H new ATOM 0 HA LYS A 74 3.222 -20.534 -5.408 1.00 31.44 H new ATOM 0 HB2 LYS A 74 5.215 -19.608 -7.572 1.00 61.05 H new ATOM 0 HB3 LYS A 74 5.610 -20.763 -6.315 1.00 61.05 H new ATOM 0 HG2 LYS A 74 3.323 -21.145 -8.315 1.00 25.33 H new ATOM 0 HG3 LYS A 74 4.920 -21.835 -8.522 1.00 25.33 H new ATOM 0 HD2 LYS A 74 4.355 -23.573 -7.163 1.00 2.22 H new ATOM 0 HD3 LYS A 74 4.090 -22.457 -5.837 1.00 2.22 H new ATOM 0 HE2 LYS A 74 1.829 -22.843 -5.985 1.00 61.31 H new ATOM 0 HE3 LYS A 74 1.825 -22.183 -7.608 1.00 61.31 H new ATOM 0 HZ1 LYS A 74 1.167 -24.566 -7.537 1.00 61.43 H new ATOM 0 HZ2 LYS A 74 2.550 -24.313 -8.489 1.00 61.43 H new ATOM 0 HZ3 LYS A 74 2.702 -24.962 -6.927 1.00 61.43 H new ATOM 1220 N GLN A 75 4.851 -17.686 -5.615 1.00 12.34 N ATOM 1221 CA GLN A 75 5.458 -16.648 -4.729 1.00 12.53 C ATOM 1222 C GLN A 75 4.408 -16.050 -3.785 1.00 60.21 C ATOM 1223 O GLN A 75 4.733 -15.334 -2.858 1.00 11.14 O ATOM 1224 CB GLN A 75 6.037 -15.573 -5.665 1.00 40.35 C ATOM 1225 CG GLN A 75 5.089 -15.288 -6.837 1.00 4.23 C ATOM 1226 CD GLN A 75 3.648 -15.212 -6.339 1.00 1.34 C ATOM 1227 OE1 GLN A 75 2.922 -16.183 -6.401 1.00 62.25 O ATOM 1228 NE2 GLN A 75 3.201 -14.094 -5.843 1.00 61.01 N ATOM 0 H GLN A 75 4.913 -17.496 -6.615 1.00 12.34 H new ATOM 0 HA GLN A 75 6.234 -17.075 -4.093 1.00 12.53 H new ATOM 0 HB2 GLN A 75 6.212 -14.655 -5.104 1.00 40.35 H new ATOM 0 HB3 GLN A 75 7.003 -15.902 -6.047 1.00 40.35 H new ATOM 0 HG2 GLN A 75 5.365 -14.350 -7.319 1.00 4.23 H new ATOM 0 HG3 GLN A 75 5.181 -16.072 -7.589 1.00 4.23 H new ATOM 0 HE21 GLN A 75 3.812 -13.279 -5.791 1.00 61.01 H new ATOM 0 HE22 GLN A 75 2.240 -14.034 -5.506 1.00 61.01 H new ATOM 1237 N ALA A 76 3.152 -16.338 -4.004 1.00 53.22 N ATOM 1238 CA ALA A 76 2.096 -15.786 -3.108 1.00 54.22 C ATOM 1239 C ALA A 76 1.741 -16.813 -2.033 1.00 54.23 C ATOM 1240 O ALA A 76 1.602 -16.489 -0.870 1.00 40.42 O ATOM 1241 CB ALA A 76 0.894 -15.530 -4.016 1.00 13.25 C ATOM 0 H ALA A 76 2.813 -16.930 -4.762 1.00 53.22 H new ATOM 0 HA ALA A 76 2.418 -14.878 -2.598 1.00 54.22 H new ATOM 0 HB1 ALA A 76 0.073 -15.122 -3.427 1.00 13.25 H new ATOM 0 HB2 ALA A 76 1.171 -14.819 -4.794 1.00 13.25 H new ATOM 0 HB3 ALA A 76 0.579 -16.467 -4.476 1.00 13.25 H new ATOM 1247 N LEU A 77 1.596 -18.052 -2.416 1.00 34.34 N ATOM 1248 CA LEU A 77 1.252 -19.100 -1.416 1.00 4.33 C ATOM 1249 C LEU A 77 2.490 -19.468 -0.596 1.00 11.41 C ATOM 1250 O LEU A 77 2.391 -19.918 0.529 1.00 75.31 O ATOM 1251 CB LEU A 77 0.776 -20.297 -2.242 1.00 3.10 C ATOM 1252 CG LEU A 77 -0.317 -19.848 -3.215 1.00 14.31 C ATOM 1253 CD1 LEU A 77 -1.002 -21.077 -3.814 1.00 50.22 C ATOM 1254 CD2 LEU A 77 -1.350 -19.003 -2.469 1.00 43.12 C ATOM 0 H LEU A 77 1.701 -18.382 -3.375 1.00 34.34 H new ATOM 0 HA LEU A 77 0.491 -18.767 -0.711 1.00 4.33 H new ATOM 0 HB2 LEU A 77 1.613 -20.727 -2.793 1.00 3.10 H new ATOM 0 HB3 LEU A 77 0.393 -21.077 -1.584 1.00 3.10 H new ATOM 0 HG LEU A 77 0.129 -19.255 -4.013 1.00 14.31 H new ATOM 0 HD11 LEU A 77 -1.781 -20.758 -4.507 1.00 50.22 H new ATOM 0 HD12 LEU A 77 -0.267 -21.680 -4.347 1.00 50.22 H new ATOM 0 HD13 LEU A 77 -1.448 -21.670 -3.016 1.00 50.22 H new ATOM 0 HD21 LEU A 77 -2.128 -18.684 -3.162 1.00 43.12 H new ATOM 0 HD22 LEU A 77 -1.797 -19.596 -1.670 1.00 43.12 H new ATOM 0 HD23 LEU A 77 -0.863 -18.127 -2.042 1.00 43.12 H new ATOM 1266 N THR A 78 3.658 -19.277 -1.147 1.00 2.11 N ATOM 1267 CA THR A 78 4.901 -19.609 -0.396 1.00 24.52 C ATOM 1268 C THR A 78 5.249 -18.473 0.567 1.00 0.31 C ATOM 1269 O THR A 78 5.793 -18.690 1.632 1.00 14.32 O ATOM 1270 CB THR A 78 5.984 -19.761 -1.465 1.00 62.22 C ATOM 1271 OG1 THR A 78 7.135 -20.363 -0.888 1.00 51.50 O ATOM 1272 CG2 THR A 78 6.350 -18.384 -2.022 1.00 41.20 C ATOM 0 H THR A 78 3.805 -18.905 -2.085 1.00 2.11 H new ATOM 0 HA THR A 78 4.795 -20.514 0.203 1.00 24.52 H new ATOM 0 HB THR A 78 5.612 -20.390 -2.274 1.00 62.22 H new ATOM 0 HG1 THR A 78 7.830 -20.463 -1.572 1.00 51.50 H new ATOM 0 HG21 THR A 78 7.122 -18.493 -2.784 1.00 41.20 H new ATOM 0 HG22 THR A 78 5.466 -17.924 -2.464 1.00 41.20 H new ATOM 0 HG23 THR A 78 6.723 -17.753 -1.215 1.00 41.20 H new ATOM 1280 N GLU A 79 4.933 -17.260 0.201 1.00 13.22 N ATOM 1281 CA GLU A 79 5.237 -16.107 1.092 1.00 72.33 C ATOM 1282 C GLU A 79 4.006 -15.757 1.929 1.00 61.54 C ATOM 1283 O GLU A 79 4.097 -15.493 3.112 1.00 44.20 O ATOM 1284 CB GLU A 79 5.585 -14.956 0.148 1.00 60.34 C ATOM 1285 CG GLU A 79 6.938 -15.226 -0.514 1.00 32.22 C ATOM 1286 CD GLU A 79 7.991 -14.280 0.070 1.00 24.21 C ATOM 1287 OE1 GLU A 79 8.307 -14.430 1.240 1.00 72.44 O ATOM 1288 OE2 GLU A 79 8.463 -13.428 -0.662 1.00 51.33 O ATOM 0 H GLU A 79 4.477 -17.019 -0.679 1.00 13.22 H new ATOM 0 HA GLU A 79 6.049 -16.322 1.787 1.00 72.33 H new ATOM 0 HB2 GLU A 79 4.811 -14.850 -0.613 1.00 60.34 H new ATOM 0 HB3 GLU A 79 5.620 -14.017 0.701 1.00 60.34 H new ATOM 0 HG2 GLU A 79 7.234 -16.262 -0.351 1.00 32.22 H new ATOM 0 HG3 GLU A 79 6.862 -15.082 -1.592 1.00 32.22 H new ATOM 1295 N GLN A 80 2.853 -15.754 1.318 1.00 43.53 N ATOM 1296 CA GLN A 80 1.606 -15.424 2.066 1.00 32.40 C ATOM 1297 C GLN A 80 0.801 -16.697 2.317 1.00 72.20 C ATOM 1298 O GLN A 80 0.581 -17.099 3.443 1.00 44.12 O ATOM 1299 CB GLN A 80 0.816 -14.481 1.149 1.00 53.20 C ATOM 1300 CG GLN A 80 1.764 -13.524 0.418 1.00 64.44 C ATOM 1301 CD GLN A 80 1.001 -12.811 -0.701 1.00 45.11 C ATOM 1302 OE1 GLN A 80 0.278 -13.512 -1.530 1.00 72.41 O flip ATOM 1303 NE2 GLN A 80 1.069 -11.604 -0.824 1.00 41.23 N flip ATOM 0 H GLN A 80 2.720 -15.967 0.329 1.00 43.53 H new ATOM 0 HA GLN A 80 1.819 -14.968 3.033 1.00 32.40 H new ATOM 0 HB2 GLN A 80 0.246 -15.062 0.424 1.00 53.20 H new ATOM 0 HB3 GLN A 80 0.096 -13.911 1.737 1.00 53.20 H new ATOM 0 HG2 GLN A 80 2.173 -12.794 1.117 1.00 64.44 H new ATOM 0 HG3 GLN A 80 2.608 -14.076 0.004 1.00 64.44 H new ATOM 0 HE21 GLN A 80 1.635 -11.056 -0.175 1.00 41.23 H new ATOM 0 HE22 GLN A 80 0.561 -11.139 -1.576 1.00 41.23 H new ATOM 1312 N GLY A 81 0.358 -17.329 1.269 1.00 10.13 N ATOM 1313 CA GLY A 81 -0.437 -18.578 1.423 1.00 65.30 C ATOM 1314 C GLY A 81 -1.737 -18.456 0.624 1.00 55.12 C ATOM 1315 O GLY A 81 -2.532 -19.373 0.573 1.00 34.34 O ATOM 0 H GLY A 81 0.513 -17.033 0.305 1.00 10.13 H new ATOM 0 HA2 GLY A 81 0.139 -19.434 1.072 1.00 65.30 H new ATOM 0 HA3 GLY A 81 -0.659 -18.753 2.476 1.00 65.30 H new ATOM 1319 N TYR A 82 -1.956 -17.333 -0.006 1.00 20.23 N ATOM 1320 CA TYR A 82 -3.208 -17.161 -0.807 1.00 11.20 C ATOM 1321 C TYR A 82 -2.936 -16.256 -2.009 1.00 12.51 C ATOM 1322 O TYR A 82 -2.126 -15.352 -1.947 1.00 53.40 O ATOM 1323 CB TYR A 82 -4.232 -16.500 0.128 1.00 34.34 C ATOM 1324 CG TYR A 82 -3.984 -16.896 1.563 1.00 75.32 C ATOM 1325 CD1 TYR A 82 -2.970 -16.267 2.295 1.00 1.11 C ATOM 1326 CD2 TYR A 82 -4.767 -17.889 2.162 1.00 5.12 C ATOM 1327 CE1 TYR A 82 -2.739 -16.631 3.626 1.00 74.12 C ATOM 1328 CE2 TYR A 82 -4.538 -18.254 3.495 1.00 31.25 C ATOM 1329 CZ TYR A 82 -3.523 -17.624 4.226 1.00 51.25 C ATOM 1330 OH TYR A 82 -3.295 -17.983 5.539 1.00 43.31 O ATOM 0 H TYR A 82 -1.327 -16.530 -0.003 1.00 20.23 H new ATOM 0 HA TYR A 82 -3.574 -18.116 -1.184 1.00 11.20 H new ATOM 0 HB2 TYR A 82 -4.173 -15.416 0.030 1.00 34.34 H new ATOM 0 HB3 TYR A 82 -5.240 -16.792 -0.165 1.00 34.34 H new ATOM 0 HD1 TYR A 82 -2.366 -15.501 1.832 1.00 1.11 H new ATOM 0 HD2 TYR A 82 -5.548 -18.374 1.596 1.00 5.12 H new ATOM 0 HE1 TYR A 82 -1.956 -16.146 4.191 1.00 74.12 H new ATOM 0 HE2 TYR A 82 -5.143 -19.020 3.958 1.00 31.25 H new ATOM 0 HH TYR A 82 -3.927 -18.685 5.801 1.00 43.31 H new ATOM 1340 N TYR A 83 -3.613 -16.485 -3.099 1.00 3.15 N ATOM 1341 CA TYR A 83 -3.398 -15.634 -4.301 1.00 50.52 C ATOM 1342 C TYR A 83 -4.701 -15.501 -5.093 1.00 72.22 C ATOM 1343 O TYR A 83 -5.298 -16.479 -5.495 1.00 33.34 O ATOM 1344 CB TYR A 83 -2.342 -16.373 -5.123 1.00 73.12 C ATOM 1345 CG TYR A 83 -2.180 -15.698 -6.465 1.00 73.41 C ATOM 1346 CD1 TYR A 83 -3.174 -15.831 -7.441 1.00 62.45 C ATOM 1347 CD2 TYR A 83 -1.034 -14.939 -6.731 1.00 41.13 C ATOM 1348 CE1 TYR A 83 -3.022 -15.206 -8.683 1.00 24.10 C ATOM 1349 CE2 TYR A 83 -0.882 -14.315 -7.974 1.00 3.43 C ATOM 1350 CZ TYR A 83 -1.877 -14.447 -8.950 1.00 13.12 C ATOM 1351 OH TYR A 83 -1.727 -13.832 -10.177 1.00 13.00 O ATOM 0 H TYR A 83 -4.306 -17.225 -3.209 1.00 3.15 H new ATOM 0 HA TYR A 83 -3.080 -14.624 -4.043 1.00 50.52 H new ATOM 0 HB2 TYR A 83 -1.391 -16.379 -4.591 1.00 73.12 H new ATOM 0 HB3 TYR A 83 -2.637 -17.413 -5.261 1.00 73.12 H new ATOM 0 HD1 TYR A 83 -4.058 -16.416 -7.235 1.00 62.45 H new ATOM 0 HD2 TYR A 83 -0.268 -14.835 -5.977 1.00 41.13 H new ATOM 0 HE1 TYR A 83 -3.789 -15.309 -9.436 1.00 24.10 H new ATOM 0 HE2 TYR A 83 0.003 -13.731 -8.181 1.00 3.43 H new ATOM 0 HH TYR A 83 -0.877 -13.344 -10.197 1.00 13.00 H new ATOM 1361 N LEU A 84 -5.144 -14.297 -5.324 1.00 61.11 N ATOM 1362 CA LEU A 84 -6.408 -14.102 -6.094 1.00 73.23 C ATOM 1363 C LEU A 84 -6.087 -13.831 -7.562 1.00 71.44 C ATOM 1364 O LEU A 84 -5.239 -13.019 -7.880 1.00 25.43 O ATOM 1365 CB LEU A 84 -7.083 -12.885 -5.457 1.00 22.54 C ATOM 1366 CG LEU A 84 -8.359 -12.542 -6.231 1.00 23.31 C ATOM 1367 CD1 LEU A 84 -9.146 -13.820 -6.529 1.00 61.54 C ATOM 1368 CD2 LEU A 84 -9.224 -11.598 -5.392 1.00 23.34 C ATOM 0 H LEU A 84 -4.687 -13.439 -5.014 1.00 61.11 H new ATOM 0 HA LEU A 84 -7.051 -14.981 -6.063 1.00 73.23 H new ATOM 0 HB2 LEU A 84 -7.323 -13.094 -4.414 1.00 22.54 H new ATOM 0 HB3 LEU A 84 -6.402 -12.034 -5.463 1.00 22.54 H new ATOM 0 HG LEU A 84 -8.090 -12.058 -7.170 1.00 23.31 H new ATOM 0 HD11 LEU A 84 -10.053 -13.569 -7.080 1.00 61.54 H new ATOM 0 HD12 LEU A 84 -8.533 -14.494 -7.127 1.00 61.54 H new ATOM 0 HD13 LEU A 84 -9.414 -14.309 -5.592 1.00 61.54 H new ATOM 0 HD21 LEU A 84 -10.133 -11.353 -5.941 1.00 23.34 H new ATOM 0 HD22 LEU A 84 -9.488 -12.084 -4.453 1.00 23.34 H new ATOM 0 HD23 LEU A 84 -8.668 -10.684 -5.184 1.00 23.34 H new ATOM 1380 N GLN A 85 -6.750 -14.502 -8.463 1.00 64.13 N ATOM 1381 CA GLN A 85 -6.465 -14.271 -9.904 1.00 30.34 C ATOM 1382 C GLN A 85 -7.605 -13.492 -10.571 1.00 15.41 C ATOM 1383 O GLN A 85 -8.758 -13.882 -10.519 1.00 23.41 O ATOM 1384 CB GLN A 85 -6.308 -15.674 -10.517 1.00 32.32 C ATOM 1385 CG GLN A 85 -7.666 -16.218 -10.973 1.00 64.12 C ATOM 1386 CD GLN A 85 -8.018 -15.676 -12.365 1.00 32.55 C ATOM 1387 OE1 GLN A 85 -7.284 -14.735 -12.906 1.00 70.41 O flip ATOM 1388 NE2 GLN A 85 -8.974 -16.115 -12.973 1.00 51.32 N flip ATOM 0 H GLN A 85 -7.471 -15.195 -8.265 1.00 64.13 H new ATOM 0 HA GLN A 85 -5.568 -13.669 -10.050 1.00 30.34 H new ATOM 0 HB2 GLN A 85 -5.624 -15.632 -11.364 1.00 32.32 H new ATOM 0 HB3 GLN A 85 -5.867 -16.350 -9.784 1.00 32.32 H new ATOM 0 HG2 GLN A 85 -7.640 -17.307 -10.996 1.00 64.12 H new ATOM 0 HG3 GLN A 85 -8.438 -15.933 -10.258 1.00 64.12 H new ATOM 0 HE21 GLN A 85 -9.550 -16.848 -12.558 1.00 51.32 H new ATOM 0 HE22 GLN A 85 -9.201 -15.751 -13.898 1.00 51.32 H new ATOM 1397 N LEU A 86 -7.276 -12.398 -11.204 1.00 40.32 N ATOM 1398 CA LEU A 86 -8.309 -11.580 -11.901 1.00 25.20 C ATOM 1399 C LEU A 86 -7.812 -11.221 -13.307 1.00 12.20 C ATOM 1400 O LEU A 86 -6.808 -10.552 -13.457 1.00 24.03 O ATOM 1401 CB LEU A 86 -8.468 -10.324 -11.044 1.00 22.23 C ATOM 1402 CG LEU A 86 -9.951 -10.090 -10.748 1.00 23.43 C ATOM 1403 CD1 LEU A 86 -10.726 -9.949 -12.060 1.00 65.02 C ATOM 1404 CD2 LEU A 86 -10.502 -11.279 -9.959 1.00 24.31 C ATOM 0 H LEU A 86 -6.326 -12.033 -11.268 1.00 40.32 H new ATOM 0 HA LEU A 86 -9.257 -12.106 -12.017 1.00 25.20 H new ATOM 0 HB2 LEU A 86 -7.914 -10.435 -10.112 1.00 22.23 H new ATOM 0 HB3 LEU A 86 -8.050 -9.462 -11.563 1.00 22.23 H new ATOM 0 HG LEU A 86 -10.063 -9.176 -10.165 1.00 23.43 H new ATOM 0 HD11 LEU A 86 -11.781 -9.783 -11.843 1.00 65.02 H new ATOM 0 HD12 LEU A 86 -10.334 -9.103 -12.625 1.00 65.02 H new ATOM 0 HD13 LEU A 86 -10.616 -10.860 -12.648 1.00 65.02 H new ATOM 0 HD21 LEU A 86 -11.559 -11.116 -9.746 1.00 24.31 H new ATOM 0 HD22 LEU A 86 -10.386 -12.190 -10.546 1.00 24.31 H new ATOM 0 HD23 LEU A 86 -9.954 -11.379 -9.022 1.00 24.31 H new