USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 758 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 122 LYS NZ :NH3+ -173:sc= 1.19 (180deg=1.09) USER MOD Set 1.2: A 124 TYR OH : rot -60:sc= 0.501 USER MOD Set 2.1: A 84 LYS NZ :NH3+ -164:sc= 1.19 (180deg=0.924) USER MOD Set 2.2: A 85 TYR OH : rot -175:sc= 0.577 USER MOD Single : A 45 SER OG : rot -100:sc= 1.25 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0404 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ -172:sc= 1.24 (180deg=1.19) USER MOD Single : A 68 TYR OH : rot -69:sc= -0.632 USER MOD Single : A 71 GLN : amide:sc= 0.107 X(o=0.11,f=-0.12) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.184 USER MOD Single : A 79 LYS NZ :NH3+ -175:sc= 1.13 (180deg=1.02) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 30:sc= 0.662 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 171:sc= 1.25 (180deg=1.12) USER MOD Single : A 104 THR OG1 : rot -92:sc= 0.0223 USER MOD Single : A 115 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0278) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0424 F(o=-1.3!,f=-0.042) USER MOD Single : A 119 THR OG1 : rot 83:sc= 1.24 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 SER OG : rot 37:sc= 0.538 USER MOD Single : A 128 LYS NZ :NH3+ 172:sc= 1.21 (180deg=0.999) USER MOD Single : A 131 ASN : amide:sc= -0.0544 K(o=-0.054,f=-1.7!) USER MOD Single : A 134 LYS NZ :NH3+ -151:sc= -0.0372 (180deg=-0.261) USER MOD Single : A 136 LYS NZ :NH3+ -174:sc= 2.68 (180deg=2.6) USER MOD Single : A 137 TYR OH : rot -143:sc= 0.325 USER MOD Single : A 138 LYS NZ :NH3+ 168:sc= -0.0361 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 222 N PRO A 41 4.916 -7.704 -26.484 1.00 41.51 N ATOM 223 CA PRO A 41 6.108 -8.548 -26.355 1.00 51.04 C ATOM 224 C PRO A 41 6.266 -9.492 -27.545 1.00 74.33 C ATOM 225 O PRO A 41 5.380 -9.588 -28.391 1.00 70.13 O ATOM 226 CB PRO A 41 5.847 -9.344 -25.075 1.00 54.52 C ATOM 227 CG PRO A 41 4.364 -9.397 -24.964 1.00 63.12 C ATOM 228 CD PRO A 41 3.858 -8.102 -25.534 1.00 11.11 C ATOM 0 HA PRO A 41 7.026 -7.961 -26.323 1.00 51.04 H new ATOM 0 HB2 PRO A 41 6.276 -10.344 -25.135 1.00 54.52 H new ATOM 0 HB3 PRO A 41 6.293 -8.857 -24.207 1.00 54.52 H new ATOM 0 HG2 PRO A 41 3.962 -10.248 -25.513 1.00 63.12 H new ATOM 0 HG3 PRO A 41 4.055 -9.513 -23.925 1.00 63.12 H new ATOM 0 HD2 PRO A 41 2.898 -8.232 -26.034 1.00 11.11 H new ATOM 0 HD3 PRO A 41 3.714 -7.351 -24.757 1.00 11.11 H new ATOM 236 N LEU A 42 7.392 -10.188 -27.607 1.00 34.54 N ATOM 237 CA LEU A 42 7.654 -11.102 -28.711 1.00 14.11 C ATOM 238 C LEU A 42 7.104 -12.491 -28.407 1.00 14.21 C ATOM 239 O LEU A 42 7.296 -13.021 -27.307 1.00 23.23 O ATOM 240 CB LEU A 42 9.154 -11.190 -29.023 1.00 73.51 C ATOM 241 CG LEU A 42 9.765 -9.960 -29.709 1.00 53.13 C ATOM 242 CD1 LEU A 42 9.942 -8.805 -28.733 1.00 64.02 C ATOM 243 CD2 LEU A 42 11.091 -10.322 -30.358 1.00 52.12 C ATOM 0 H LEU A 42 8.135 -10.139 -26.910 1.00 34.54 H new ATOM 0 HA LEU A 42 7.145 -10.705 -29.589 1.00 14.11 H new ATOM 0 HB2 LEU A 42 9.690 -11.367 -28.091 1.00 73.51 H new ATOM 0 HB3 LEU A 42 9.324 -12.059 -29.658 1.00 73.51 H new ATOM 0 HG LEU A 42 9.073 -9.631 -30.484 1.00 53.13 H new ATOM 0 HD11 LEU A 42 10.377 -7.952 -29.254 1.00 64.02 H new ATOM 0 HD12 LEU A 42 8.972 -8.524 -28.322 1.00 64.02 H new ATOM 0 HD13 LEU A 42 10.604 -9.111 -27.923 1.00 64.02 H new ATOM 0 HD21 LEU A 42 11.513 -9.440 -30.841 1.00 52.12 H new ATOM 0 HD22 LEU A 42 11.782 -10.684 -29.597 1.00 52.12 H new ATOM 0 HD23 LEU A 42 10.931 -11.101 -31.103 1.00 52.12 H new ATOM 255 N ASP A 43 6.411 -13.063 -29.378 1.00 31.24 N ATOM 256 CA ASP A 43 5.821 -14.389 -29.240 1.00 54.33 C ATOM 257 C ASP A 43 5.866 -15.119 -30.580 1.00 70.32 C ATOM 258 O ASP A 43 6.062 -14.493 -31.621 1.00 70.21 O ATOM 259 CB ASP A 43 4.377 -14.268 -28.739 1.00 14.35 C ATOM 260 CG ASP A 43 3.689 -15.611 -28.592 1.00 44.43 C ATOM 261 OD1 ASP A 43 4.009 -16.346 -27.639 1.00 65.44 O ATOM 262 OD2 ASP A 43 2.840 -15.942 -29.445 1.00 75.30 O ATOM 0 H ASP A 43 6.241 -12.624 -30.283 1.00 31.24 H new ATOM 0 HA ASP A 43 6.393 -14.964 -28.512 1.00 54.33 H new ATOM 0 HB2 ASP A 43 4.373 -13.756 -27.777 1.00 14.35 H new ATOM 0 HB3 ASP A 43 3.808 -13.648 -29.432 1.00 14.35 H new ATOM 267 N ALA A 44 5.674 -16.433 -30.548 1.00 51.24 N ATOM 268 CA ALA A 44 5.727 -17.258 -31.751 1.00 65.22 C ATOM 269 C ALA A 44 4.624 -16.892 -32.740 1.00 62.34 C ATOM 270 O ALA A 44 4.755 -17.134 -33.940 1.00 23.54 O ATOM 271 CB ALA A 44 5.630 -18.730 -31.379 1.00 50.31 C ATOM 0 H ALA A 44 5.478 -16.955 -29.694 1.00 51.24 H new ATOM 0 HA ALA A 44 6.683 -17.069 -32.240 1.00 65.22 H new ATOM 0 HB1 ALA A 44 5.670 -19.337 -32.283 1.00 50.31 H new ATOM 0 HB2 ALA A 44 6.461 -18.996 -30.726 1.00 50.31 H new ATOM 0 HB3 ALA A 44 4.689 -18.913 -30.861 1.00 50.31 H new ATOM 277 N SER A 45 3.542 -16.307 -32.231 1.00 21.35 N ATOM 278 CA SER A 45 2.405 -15.919 -33.061 1.00 71.31 C ATOM 279 C SER A 45 2.810 -14.921 -34.149 1.00 14.33 C ATOM 280 O SER A 45 2.202 -14.877 -35.219 1.00 52.34 O ATOM 281 CB SER A 45 1.301 -15.325 -32.186 1.00 4.23 C ATOM 282 OG SER A 45 1.830 -14.368 -31.284 1.00 42.41 O ATOM 0 H SER A 45 3.429 -16.090 -31.241 1.00 21.35 H new ATOM 0 HA SER A 45 2.034 -16.815 -33.558 1.00 71.31 H new ATOM 0 HB2 SER A 45 0.544 -14.857 -32.816 1.00 4.23 H new ATOM 0 HB3 SER A 45 0.805 -16.120 -31.629 1.00 4.23 H new ATOM 0 HG SER A 45 1.940 -14.777 -30.400 1.00 42.41 H new ATOM 288 N PHE A 46 3.844 -14.134 -33.878 1.00 40.02 N ATOM 289 CA PHE A 46 4.333 -13.151 -34.837 1.00 21.35 C ATOM 290 C PHE A 46 4.987 -13.837 -36.033 1.00 4.34 C ATOM 291 O PHE A 46 4.983 -13.315 -37.148 1.00 34.45 O ATOM 292 CB PHE A 46 5.331 -12.198 -34.171 1.00 22.42 C ATOM 293 CG PHE A 46 4.705 -11.267 -33.170 1.00 71.24 C ATOM 294 CD1 PHE A 46 4.464 -11.681 -31.870 1.00 35.21 C ATOM 295 CD2 PHE A 46 4.363 -9.975 -33.531 1.00 0.55 C ATOM 296 CE1 PHE A 46 3.894 -10.823 -30.950 1.00 41.33 C ATOM 297 CE2 PHE A 46 3.792 -9.113 -32.615 1.00 33.52 C ATOM 298 CZ PHE A 46 3.556 -9.538 -31.322 1.00 53.23 C ATOM 0 H PHE A 46 4.361 -14.158 -32.999 1.00 40.02 H new ATOM 0 HA PHE A 46 3.478 -12.575 -35.191 1.00 21.35 H new ATOM 0 HB2 PHE A 46 6.103 -12.785 -33.674 1.00 22.42 H new ATOM 0 HB3 PHE A 46 5.826 -11.608 -34.942 1.00 22.42 H new ATOM 0 HD1 PHE A 46 4.725 -12.686 -31.573 1.00 35.21 H new ATOM 0 HD2 PHE A 46 4.545 -9.637 -34.541 1.00 0.55 H new ATOM 0 HE1 PHE A 46 3.713 -11.158 -29.939 1.00 41.33 H new ATOM 0 HE2 PHE A 46 3.530 -8.107 -32.910 1.00 33.52 H new ATOM 0 HZ PHE A 46 3.108 -8.866 -30.604 1.00 53.23 H new ATOM 308 N CYS A 47 5.530 -15.022 -35.801 1.00 41.44 N ATOM 309 CA CYS A 47 6.249 -15.745 -36.837 1.00 70.24 C ATOM 310 C CYS A 47 5.301 -16.444 -37.807 1.00 3.05 C ATOM 311 O CYS A 47 5.740 -17.053 -38.784 1.00 45.34 O ATOM 312 CB CYS A 47 7.191 -16.761 -36.203 1.00 4.14 C ATOM 313 SG CYS A 47 8.409 -16.030 -35.066 1.00 33.21 S ATOM 0 H CYS A 47 5.486 -15.504 -34.903 1.00 41.44 H new ATOM 0 HA CYS A 47 6.826 -15.018 -37.408 1.00 70.24 H new ATOM 0 HB2 CYS A 47 6.601 -17.500 -35.661 1.00 4.14 H new ATOM 0 HB3 CYS A 47 7.720 -17.293 -36.993 1.00 4.14 H new ATOM 318 N ARG A 48 4.002 -16.349 -37.547 1.00 34.20 N ATOM 319 CA ARG A 48 3.008 -16.919 -38.448 1.00 62.31 C ATOM 320 C ARG A 48 3.025 -16.179 -39.773 1.00 73.00 C ATOM 321 O ARG A 48 2.806 -16.766 -40.836 1.00 54.51 O ATOM 322 CB ARG A 48 1.610 -16.841 -37.837 1.00 21.33 C ATOM 323 CG ARG A 48 1.456 -17.643 -36.559 1.00 73.32 C ATOM 324 CD ARG A 48 0.047 -17.536 -36.002 1.00 2.00 C ATOM 325 NE ARG A 48 -0.120 -18.306 -34.776 1.00 2.44 N ATOM 326 CZ ARG A 48 -1.266 -18.404 -34.106 1.00 62.22 C ATOM 327 NH1 ARG A 48 -2.357 -17.783 -34.543 1.00 54.14 N ATOM 328 NH2 ARG A 48 -1.317 -19.128 -32.998 1.00 45.25 N ATOM 0 H ARG A 48 3.615 -15.886 -36.725 1.00 34.20 H new ATOM 0 HA ARG A 48 3.258 -17.967 -38.612 1.00 62.31 H new ATOM 0 HB2 ARG A 48 1.371 -15.798 -37.631 1.00 21.33 H new ATOM 0 HB3 ARG A 48 0.884 -17.196 -38.568 1.00 21.33 H new ATOM 0 HG2 ARG A 48 1.693 -18.689 -36.754 1.00 73.32 H new ATOM 0 HG3 ARG A 48 2.170 -17.287 -35.816 1.00 73.32 H new ATOM 0 HD2 ARG A 48 -0.186 -16.489 -35.806 1.00 2.00 H new ATOM 0 HD3 ARG A 48 -0.665 -17.887 -36.749 1.00 2.00 H new ATOM 0 HE ARG A 48 0.692 -18.801 -34.408 1.00 2.44 H new ATOM 0 HH11 ARG A 48 -2.320 -17.227 -35.397 1.00 54.14 H new ATOM 0 HH12 ARG A 48 -3.232 -17.863 -34.024 1.00 54.14 H new ATOM 0 HH21 ARG A 48 -0.481 -19.607 -32.663 1.00 45.25 H new ATOM 0 HH22 ARG A 48 -2.192 -19.207 -32.480 1.00 45.25 H new ATOM 342 N THR A 49 3.312 -14.889 -39.702 1.00 3.42 N ATOM 343 CA THR A 49 3.351 -14.045 -40.879 1.00 5.21 C ATOM 344 C THR A 49 4.696 -14.179 -41.598 1.00 41.12 C ATOM 345 O THR A 49 4.926 -13.557 -42.638 1.00 14.44 O ATOM 346 CB THR A 49 3.114 -12.580 -40.482 1.00 21.45 C ATOM 347 OG1 THR A 49 2.514 -12.530 -39.177 1.00 63.22 O ATOM 348 CG2 THR A 49 2.200 -11.899 -41.484 1.00 23.43 C ATOM 0 H THR A 49 3.523 -14.402 -38.831 1.00 3.42 H new ATOM 0 HA THR A 49 2.562 -14.366 -41.559 1.00 5.21 H new ATOM 0 HB THR A 49 4.072 -12.060 -40.470 1.00 21.45 H new ATOM 0 HG1 THR A 49 2.364 -11.596 -38.922 1.00 63.22 H new ATOM 0 HG21 THR A 49 2.043 -10.862 -41.187 1.00 23.43 H new ATOM 0 HG22 THR A 49 2.658 -11.928 -42.473 1.00 23.43 H new ATOM 0 HG23 THR A 49 1.241 -12.417 -41.513 1.00 23.43 H new ATOM 356 N ALA A 50 5.584 -14.994 -41.036 1.00 54.34 N ATOM 357 CA ALA A 50 6.882 -15.238 -41.645 1.00 31.53 C ATOM 358 C ALA A 50 6.776 -16.319 -42.710 1.00 42.15 C ATOM 359 O ALA A 50 7.207 -16.125 -43.847 1.00 70.34 O ATOM 360 CB ALA A 50 7.911 -15.621 -40.591 1.00 45.35 C ATOM 0 H ALA A 50 5.426 -15.495 -40.161 1.00 54.34 H new ATOM 0 HA ALA A 50 7.214 -14.316 -42.122 1.00 31.53 H new ATOM 0 HB1 ALA A 50 8.874 -15.799 -41.070 1.00 45.35 H new ATOM 0 HB2 ALA A 50 8.009 -14.812 -39.868 1.00 45.35 H new ATOM 0 HB3 ALA A 50 7.588 -16.527 -40.079 1.00 45.35 H new ATOM 366 N GLY A 51 6.197 -17.455 -42.336 1.00 25.01 N ATOM 367 CA GLY A 51 6.003 -18.536 -43.281 1.00 12.22 C ATOM 368 C GLY A 51 6.634 -19.828 -42.816 1.00 20.12 C ATOM 369 O GLY A 51 6.297 -20.338 -41.750 1.00 40.44 O ATOM 0 H GLY A 51 5.858 -17.645 -41.393 1.00 25.01 H new ATOM 0 HA2 GLY A 51 4.935 -18.692 -43.437 1.00 12.22 H new ATOM 0 HA3 GLY A 51 6.428 -18.253 -44.244 1.00 12.22 H new ATOM 373 N SER A 52 7.572 -20.342 -43.600 1.00 65.15 N ATOM 374 CA SER A 52 8.256 -21.593 -43.282 1.00 14.22 C ATOM 375 C SER A 52 8.996 -21.488 -41.946 1.00 61.14 C ATOM 376 O SER A 52 9.259 -22.491 -41.282 1.00 13.55 O ATOM 377 CB SER A 52 9.237 -21.946 -44.407 1.00 45.21 C ATOM 378 OG SER A 52 9.836 -23.214 -44.198 1.00 64.25 O ATOM 0 H SER A 52 7.881 -19.908 -44.470 1.00 65.15 H new ATOM 0 HA SER A 52 7.511 -22.384 -43.193 1.00 14.22 H new ATOM 0 HB2 SER A 52 8.712 -21.944 -45.362 1.00 45.21 H new ATOM 0 HB3 SER A 52 10.012 -21.182 -44.468 1.00 45.21 H new ATOM 0 HG SER A 52 10.454 -23.409 -44.933 1.00 64.25 H new ATOM 384 N ARG A 53 9.300 -20.262 -41.539 1.00 13.14 N ATOM 385 CA ARG A 53 10.036 -20.029 -40.302 1.00 44.15 C ATOM 386 C ARG A 53 9.127 -20.204 -39.081 1.00 61.30 C ATOM 387 O ARG A 53 9.584 -20.124 -37.941 1.00 33.24 O ATOM 388 CB ARG A 53 10.655 -18.631 -40.312 1.00 5.53 C ATOM 389 CG ARG A 53 11.504 -18.351 -41.547 1.00 1.43 C ATOM 390 CD ARG A 53 12.631 -19.364 -41.703 1.00 15.12 C ATOM 391 NE ARG A 53 13.624 -19.252 -40.639 1.00 33.00 N ATOM 392 CZ ARG A 53 14.117 -20.287 -39.961 1.00 31.22 C ATOM 393 NH1 ARG A 53 13.701 -21.519 -40.230 1.00 33.31 N ATOM 394 NH2 ARG A 53 15.036 -20.085 -39.026 1.00 33.31 N ATOM 0 H ARG A 53 9.049 -19.414 -42.047 1.00 13.14 H new ATOM 0 HA ARG A 53 10.835 -20.767 -40.235 1.00 44.15 H new ATOM 0 HB2 ARG A 53 9.859 -17.889 -40.252 1.00 5.53 H new ATOM 0 HB3 ARG A 53 11.272 -18.509 -39.422 1.00 5.53 H new ATOM 0 HG2 ARG A 53 10.872 -18.372 -42.435 1.00 1.43 H new ATOM 0 HG3 ARG A 53 11.925 -17.348 -41.479 1.00 1.43 H new ATOM 0 HD2 ARG A 53 12.214 -20.371 -41.704 1.00 15.12 H new ATOM 0 HD3 ARG A 53 13.117 -19.219 -42.668 1.00 15.12 H new ATOM 0 HE ARG A 53 13.962 -18.320 -40.399 1.00 33.00 H new ATOM 0 HH11 ARG A 53 13.003 -21.674 -40.957 1.00 33.31 H new ATOM 0 HH12 ARG A 53 14.080 -22.310 -39.710 1.00 33.31 H new ATOM 0 HH21 ARG A 53 15.363 -19.139 -38.828 1.00 33.31 H new ATOM 0 HH22 ARG A 53 15.416 -20.875 -38.505 1.00 33.31 H new ATOM 408 N GLU A 54 7.844 -20.451 -39.334 1.00 22.00 N ATOM 409 CA GLU A 54 6.869 -20.671 -38.269 1.00 30.20 C ATOM 410 C GLU A 54 7.197 -21.946 -37.492 1.00 45.10 C ATOM 411 O GLU A 54 7.082 -21.986 -36.265 1.00 1.14 O ATOM 412 CB GLU A 54 5.461 -20.773 -38.866 1.00 14.21 C ATOM 413 CG GLU A 54 4.365 -21.011 -37.841 1.00 53.30 C ATOM 414 CD GLU A 54 3.015 -21.253 -38.486 1.00 12.13 C ATOM 415 OE1 GLU A 54 2.274 -20.277 -38.714 1.00 42.32 O ATOM 416 OE2 GLU A 54 2.684 -22.427 -38.762 1.00 23.22 O ATOM 0 H GLU A 54 7.453 -20.504 -40.275 1.00 22.00 H new ATOM 0 HA GLU A 54 6.910 -19.826 -37.581 1.00 30.20 H new ATOM 0 HB2 GLU A 54 5.241 -19.854 -39.409 1.00 14.21 H new ATOM 0 HB3 GLU A 54 5.445 -21.585 -39.593 1.00 14.21 H new ATOM 0 HG2 GLU A 54 4.629 -21.869 -37.223 1.00 53.30 H new ATOM 0 HG3 GLU A 54 4.298 -20.149 -37.177 1.00 53.30 H new ATOM 423 N LYS A 55 7.642 -22.969 -38.214 1.00 51.31 N ATOM 424 CA LYS A 55 7.908 -24.276 -37.615 1.00 24.21 C ATOM 425 C LYS A 55 9.067 -24.184 -36.635 1.00 25.02 C ATOM 426 O LYS A 55 9.059 -24.811 -35.574 1.00 61.03 O ATOM 427 CB LYS A 55 8.233 -25.308 -38.698 1.00 64.12 C ATOM 428 CG LYS A 55 7.176 -25.415 -39.782 1.00 71.41 C ATOM 429 CD LYS A 55 7.547 -26.458 -40.821 1.00 73.32 C ATOM 430 CE LYS A 55 6.550 -26.484 -41.965 1.00 60.24 C ATOM 431 NZ LYS A 55 6.881 -27.530 -42.964 1.00 74.44 N ATOM 0 H LYS A 55 7.827 -22.920 -39.216 1.00 51.31 H new ATOM 0 HA LYS A 55 7.012 -24.593 -37.081 1.00 24.21 H new ATOM 0 HB2 LYS A 55 9.187 -25.049 -39.158 1.00 64.12 H new ATOM 0 HB3 LYS A 55 8.359 -26.284 -38.230 1.00 64.12 H new ATOM 0 HG2 LYS A 55 6.217 -25.673 -39.332 1.00 71.41 H new ATOM 0 HG3 LYS A 55 7.051 -24.446 -40.266 1.00 71.41 H new ATOM 0 HD2 LYS A 55 8.543 -26.247 -41.210 1.00 73.32 H new ATOM 0 HD3 LYS A 55 7.590 -27.441 -40.352 1.00 73.32 H new ATOM 0 HE2 LYS A 55 5.550 -26.662 -41.571 1.00 60.24 H new ATOM 0 HE3 LYS A 55 6.531 -25.509 -42.453 1.00 60.24 H new ATOM 0 HZ1 LYS A 55 6.176 -27.515 -43.729 1.00 74.44 H new ATOM 0 HZ2 LYS A 55 7.825 -27.346 -43.359 1.00 74.44 H new ATOM 0 HZ3 LYS A 55 6.874 -28.463 -42.505 1.00 74.44 H new ATOM 445 N ASP A 56 10.062 -23.393 -37.002 1.00 70.14 N ATOM 446 CA ASP A 56 11.229 -23.182 -36.161 1.00 52.24 C ATOM 447 C ASP A 56 10.899 -22.261 -35.001 1.00 14.45 C ATOM 448 O ASP A 56 11.206 -22.564 -33.851 1.00 72.43 O ATOM 449 CB ASP A 56 12.373 -22.589 -36.981 1.00 23.40 C ATOM 450 CG ASP A 56 12.966 -23.586 -37.953 1.00 42.22 C ATOM 451 OD1 ASP A 56 12.338 -23.851 -38.996 1.00 64.54 O ATOM 452 OD2 ASP A 56 14.075 -24.091 -37.687 1.00 74.12 O ATOM 0 H ASP A 56 10.084 -22.882 -37.885 1.00 70.14 H new ATOM 0 HA ASP A 56 11.537 -24.148 -35.762 1.00 52.24 H new ATOM 0 HB2 ASP A 56 12.009 -21.721 -37.532 1.00 23.40 H new ATOM 0 HB3 ASP A 56 13.153 -22.235 -36.307 1.00 23.40 H new ATOM 457 N CYS A 57 10.245 -21.150 -35.314 1.00 35.03 N ATOM 458 CA CYS A 57 9.951 -20.125 -34.323 1.00 24.50 C ATOM 459 C CYS A 57 9.105 -20.673 -33.181 1.00 41.12 C ATOM 460 O CYS A 57 9.361 -20.365 -32.021 1.00 50.02 O ATOM 461 CB CYS A 57 9.242 -18.941 -34.974 1.00 43.43 C ATOM 462 SG CYS A 57 8.886 -17.567 -33.832 1.00 64.41 S ATOM 0 H CYS A 57 9.907 -20.936 -36.252 1.00 35.03 H new ATOM 0 HA CYS A 57 10.902 -19.790 -33.907 1.00 24.50 H new ATOM 0 HB2 CYS A 57 9.857 -18.568 -35.793 1.00 43.43 H new ATOM 0 HB3 CYS A 57 8.306 -19.288 -35.411 1.00 43.43 H new ATOM 467 N ARG A 58 8.120 -21.511 -33.495 1.00 63.42 N ATOM 468 CA ARG A 58 7.233 -22.024 -32.460 1.00 33.11 C ATOM 469 C ARG A 58 8.012 -22.867 -31.453 1.00 22.35 C ATOM 470 O ARG A 58 7.733 -22.827 -30.261 1.00 61.14 O ATOM 471 CB ARG A 58 6.066 -22.822 -33.057 1.00 35.43 C ATOM 472 CG ARG A 58 6.473 -24.086 -33.799 1.00 13.15 C ATOM 473 CD ARG A 58 5.259 -24.811 -34.359 1.00 61.34 C ATOM 474 NE ARG A 58 5.624 -26.025 -35.087 1.00 12.51 N ATOM 475 CZ ARG A 58 4.753 -26.780 -35.758 1.00 4.11 C ATOM 476 NH1 ARG A 58 3.462 -26.465 -35.773 1.00 65.52 N ATOM 477 NH2 ARG A 58 5.178 -27.857 -36.404 1.00 3.12 N ATOM 0 H ARG A 58 7.920 -21.843 -34.439 1.00 63.42 H new ATOM 0 HA ARG A 58 6.806 -21.168 -31.937 1.00 33.11 H new ATOM 0 HB2 ARG A 58 5.381 -23.093 -32.254 1.00 35.43 H new ATOM 0 HB3 ARG A 58 5.515 -22.177 -33.741 1.00 35.43 H new ATOM 0 HG2 ARG A 58 7.154 -23.831 -34.611 1.00 13.15 H new ATOM 0 HG3 ARG A 58 7.016 -24.748 -33.124 1.00 13.15 H new ATOM 0 HD2 ARG A 58 4.584 -25.069 -33.543 1.00 61.34 H new ATOM 0 HD3 ARG A 58 4.714 -24.141 -35.024 1.00 61.34 H new ATOM 0 HE ARG A 58 6.603 -26.312 -35.081 1.00 12.51 H new ATOM 0 HH11 ARG A 58 3.132 -25.642 -35.269 1.00 65.52 H new ATOM 0 HH12 ARG A 58 2.801 -27.047 -36.288 1.00 65.52 H new ATOM 0 HH21 ARG A 58 6.167 -28.105 -36.386 1.00 3.12 H new ATOM 0 HH22 ARG A 58 4.516 -28.438 -36.919 1.00 3.12 H new ATOM 491 N LYS A 59 9.005 -23.605 -31.936 1.00 53.03 N ATOM 492 CA LYS A 59 9.853 -24.411 -31.065 1.00 15.30 C ATOM 493 C LYS A 59 10.868 -23.535 -30.337 1.00 53.03 C ATOM 494 O LYS A 59 11.166 -23.752 -29.160 1.00 4.13 O ATOM 495 CB LYS A 59 10.574 -25.486 -31.879 1.00 45.22 C ATOM 496 CG LYS A 59 9.654 -26.576 -32.403 1.00 40.11 C ATOM 497 CD LYS A 59 9.076 -27.404 -31.268 1.00 12.21 C ATOM 498 CE LYS A 59 8.152 -28.495 -31.778 1.00 62.54 C ATOM 499 NZ LYS A 59 7.698 -29.386 -30.679 1.00 74.32 N ATOM 0 H LYS A 59 9.243 -23.662 -32.926 1.00 53.03 H new ATOM 0 HA LYS A 59 9.220 -24.894 -30.321 1.00 15.30 H new ATOM 0 HB2 LYS A 59 11.079 -25.013 -32.721 1.00 45.22 H new ATOM 0 HB3 LYS A 59 11.346 -25.942 -31.259 1.00 45.22 H new ATOM 0 HG2 LYS A 59 8.844 -26.126 -32.977 1.00 40.11 H new ATOM 0 HG3 LYS A 59 10.206 -27.224 -33.084 1.00 40.11 H new ATOM 0 HD2 LYS A 59 9.888 -27.854 -30.696 1.00 12.21 H new ATOM 0 HD3 LYS A 59 8.528 -26.753 -30.586 1.00 12.21 H new ATOM 0 HE2 LYS A 59 7.286 -28.043 -32.261 1.00 62.54 H new ATOM 0 HE3 LYS A 59 8.668 -29.085 -32.536 1.00 62.54 H new ATOM 0 HZ1 LYS A 59 7.069 -30.119 -31.064 1.00 74.32 H new ATOM 0 HZ2 LYS A 59 8.523 -29.837 -30.234 1.00 74.32 H new ATOM 0 HZ3 LYS A 59 7.184 -28.827 -29.969 1.00 74.32 H new ATOM 513 N ASP A 60 11.374 -22.535 -31.046 1.00 42.54 N ATOM 514 CA ASP A 60 12.422 -21.659 -30.531 1.00 12.15 C ATOM 515 C ASP A 60 11.891 -20.793 -29.392 1.00 53.22 C ATOM 516 O ASP A 60 12.560 -20.599 -28.380 1.00 74.15 O ATOM 517 CB ASP A 60 12.966 -20.785 -31.669 1.00 21.41 C ATOM 518 CG ASP A 60 14.242 -20.046 -31.310 1.00 35.15 C ATOM 519 OD1 ASP A 60 14.954 -20.476 -30.375 1.00 72.13 O ATOM 520 OD2 ASP A 60 14.561 -19.045 -31.992 1.00 34.21 O ATOM 0 H ASP A 60 11.071 -22.307 -31.993 1.00 42.54 H new ATOM 0 HA ASP A 60 13.232 -22.271 -30.134 1.00 12.15 H new ATOM 0 HB2 ASP A 60 13.152 -21.412 -32.541 1.00 21.41 H new ATOM 0 HB3 ASP A 60 12.204 -20.060 -31.955 1.00 21.41 H new ATOM 525 N VAL A 61 10.664 -20.306 -29.548 1.00 3.34 N ATOM 526 CA VAL A 61 10.035 -19.475 -28.528 1.00 72.33 C ATOM 527 C VAL A 61 9.651 -20.316 -27.307 1.00 2.13 C ATOM 528 O VAL A 61 9.696 -19.839 -26.176 1.00 11.32 O ATOM 529 CB VAL A 61 8.794 -18.734 -29.080 1.00 32.34 C ATOM 530 CG1 VAL A 61 8.102 -17.927 -27.991 1.00 61.55 C ATOM 531 CG2 VAL A 61 9.192 -17.824 -30.233 1.00 61.03 C ATOM 0 H VAL A 61 10.086 -20.473 -30.371 1.00 3.34 H new ATOM 0 HA VAL A 61 10.764 -18.724 -28.224 1.00 72.33 H new ATOM 0 HB VAL A 61 8.091 -19.484 -29.443 1.00 32.34 H new ATOM 0 HG11 VAL A 61 7.234 -17.418 -28.411 1.00 61.55 H new ATOM 0 HG12 VAL A 61 7.780 -18.595 -27.192 1.00 61.55 H new ATOM 0 HG13 VAL A 61 8.796 -17.189 -27.589 1.00 61.55 H new ATOM 0 HG21 VAL A 61 8.309 -17.309 -30.612 1.00 61.03 H new ATOM 0 HG22 VAL A 61 9.918 -17.090 -29.883 1.00 61.03 H new ATOM 0 HG23 VAL A 61 9.634 -18.420 -31.031 1.00 61.03 H new ATOM 541 N GLN A 62 9.305 -21.580 -27.533 1.00 21.34 N ATOM 542 CA GLN A 62 8.979 -22.483 -26.431 1.00 74.23 C ATOM 543 C GLN A 62 10.235 -22.813 -25.634 1.00 63.25 C ATOM 544 O GLN A 62 10.170 -23.139 -24.450 1.00 12.41 O ATOM 545 CB GLN A 62 8.332 -23.769 -26.949 1.00 22.34 C ATOM 546 CG GLN A 62 6.928 -23.566 -27.493 1.00 52.33 C ATOM 547 CD GLN A 62 6.344 -24.833 -28.085 1.00 0.54 C ATOM 548 OE1 GLN A 62 6.665 -25.941 -27.658 1.00 74.35 O ATOM 549 NE2 GLN A 62 5.484 -24.678 -29.078 1.00 52.41 N ATOM 0 H GLN A 62 9.243 -22.001 -28.460 1.00 21.34 H new ATOM 0 HA GLN A 62 8.264 -21.980 -25.779 1.00 74.23 H new ATOM 0 HB2 GLN A 62 8.959 -24.191 -27.734 1.00 22.34 H new ATOM 0 HB3 GLN A 62 8.298 -24.500 -26.141 1.00 22.34 H new ATOM 0 HG2 GLN A 62 6.280 -23.211 -26.692 1.00 52.33 H new ATOM 0 HG3 GLN A 62 6.947 -22.788 -28.256 1.00 52.33 H new ATOM 0 HE21 GLN A 62 5.244 -23.742 -29.403 1.00 52.41 H new ATOM 0 HE22 GLN A 62 5.061 -25.495 -29.518 1.00 52.41 H new ATOM 558 N ALA A 63 11.380 -22.718 -26.297 1.00 12.23 N ATOM 559 CA ALA A 63 12.668 -22.919 -25.648 1.00 53.31 C ATOM 560 C ALA A 63 13.156 -21.624 -25.011 1.00 4.14 C ATOM 561 O ALA A 63 14.279 -21.545 -24.513 1.00 14.52 O ATOM 562 CB ALA A 63 13.686 -23.429 -26.656 1.00 71.40 C ATOM 0 H ALA A 63 11.442 -22.501 -27.292 1.00 12.23 H new ATOM 0 HA ALA A 63 12.548 -23.663 -24.861 1.00 53.31 H new ATOM 0 HB1 ALA A 63 14.646 -23.576 -26.161 1.00 71.40 H new ATOM 0 HB2 ALA A 63 13.343 -24.376 -27.072 1.00 71.40 H new ATOM 0 HB3 ALA A 63 13.800 -22.700 -27.459 1.00 71.40 H new ATOM 568 N CYS A 64 12.296 -20.618 -25.026 1.00 31.33 N ATOM 569 CA CYS A 64 12.633 -19.309 -24.494 1.00 21.01 C ATOM 570 C CYS A 64 11.547 -18.840 -23.533 1.00 53.01 C ATOM 571 O CYS A 64 10.538 -18.270 -23.946 1.00 32.13 O ATOM 572 CB CYS A 64 12.794 -18.310 -25.641 1.00 72.00 C ATOM 573 SG CYS A 64 13.479 -16.699 -25.148 1.00 52.12 S ATOM 0 H CYS A 64 11.351 -20.686 -25.405 1.00 31.33 H new ATOM 0 HA CYS A 64 13.575 -19.376 -23.949 1.00 21.01 H new ATOM 0 HB2 CYS A 64 13.442 -18.749 -26.400 1.00 72.00 H new ATOM 0 HB3 CYS A 64 11.821 -18.150 -26.106 1.00 72.00 H new ATOM 578 N ASP A 65 11.751 -19.093 -22.250 1.00 14.22 N ATOM 579 CA ASP A 65 10.760 -18.748 -21.242 1.00 35.42 C ATOM 580 C ASP A 65 10.997 -17.338 -20.725 1.00 44.32 C ATOM 581 O ASP A 65 10.064 -16.539 -20.610 1.00 31.20 O ATOM 582 CB ASP A 65 10.796 -19.745 -20.086 1.00 22.15 C ATOM 583 CG ASP A 65 9.793 -19.409 -19.001 1.00 74.14 C ATOM 584 OD1 ASP A 65 8.574 -19.500 -19.258 1.00 72.21 O ATOM 585 OD2 ASP A 65 10.217 -19.077 -17.874 1.00 64.31 O ATOM 0 H ASP A 65 12.593 -19.536 -21.882 1.00 14.22 H new ATOM 0 HA ASP A 65 9.774 -18.791 -21.705 1.00 35.42 H new ATOM 0 HB2 ASP A 65 10.593 -20.746 -20.467 1.00 22.15 H new ATOM 0 HB3 ASP A 65 11.798 -19.764 -19.657 1.00 22.15 H new ATOM 590 N LYS A 66 12.250 -17.025 -20.436 1.00 11.34 N ATOM 591 CA LYS A 66 12.606 -15.697 -19.966 1.00 15.13 C ATOM 592 C LYS A 66 13.033 -14.830 -21.145 1.00 23.21 C ATOM 593 O LYS A 66 14.202 -14.795 -21.535 1.00 12.50 O ATOM 594 CB LYS A 66 13.705 -15.761 -18.895 1.00 41.31 C ATOM 595 CG LYS A 66 14.883 -16.646 -19.266 1.00 3.44 C ATOM 596 CD LYS A 66 15.953 -16.624 -18.190 1.00 1.31 C ATOM 597 CE LYS A 66 17.074 -17.599 -18.497 1.00 63.45 C ATOM 598 NZ LYS A 66 18.126 -17.562 -17.451 1.00 71.03 N ATOM 0 H LYS A 66 13.035 -17.671 -20.518 1.00 11.34 H new ATOM 0 HA LYS A 66 11.730 -15.246 -19.500 1.00 15.13 H new ATOM 0 HB2 LYS A 66 14.069 -14.752 -18.703 1.00 41.31 H new ATOM 0 HB3 LYS A 66 13.270 -16.125 -17.965 1.00 41.31 H new ATOM 0 HG2 LYS A 66 14.538 -17.669 -19.417 1.00 3.44 H new ATOM 0 HG3 LYS A 66 15.309 -16.310 -20.212 1.00 3.44 H new ATOM 0 HD2 LYS A 66 16.360 -15.617 -18.102 1.00 1.31 H new ATOM 0 HD3 LYS A 66 15.507 -16.873 -17.227 1.00 1.31 H new ATOM 0 HE2 LYS A 66 16.670 -18.608 -18.573 1.00 63.45 H new ATOM 0 HE3 LYS A 66 17.513 -17.358 -19.465 1.00 63.45 H new ATOM 0 HZ1 LYS A 66 18.878 -18.240 -17.690 1.00 71.03 H new ATOM 0 HZ2 LYS A 66 18.528 -16.604 -17.396 1.00 71.03 H new ATOM 0 HZ3 LYS A 66 17.711 -17.816 -16.532 1.00 71.03 H new ATOM 612 N LYS A 67 12.063 -14.150 -21.728 1.00 75.42 N ATOM 613 CA LYS A 67 12.300 -13.358 -22.921 1.00 64.12 C ATOM 614 C LYS A 67 12.683 -11.926 -22.565 1.00 24.43 C ATOM 615 O LYS A 67 12.960 -11.118 -23.446 1.00 14.15 O ATOM 616 CB LYS A 67 11.058 -13.376 -23.819 1.00 2.11 C ATOM 617 CG LYS A 67 9.782 -12.972 -23.100 1.00 62.51 C ATOM 618 CD LYS A 67 8.557 -13.083 -23.994 1.00 13.05 C ATOM 619 CE LYS A 67 8.298 -14.522 -24.425 1.00 33.43 C ATOM 620 NZ LYS A 67 6.969 -14.671 -25.080 1.00 33.22 N ATOM 0 H LYS A 67 11.100 -14.130 -21.393 1.00 75.42 H new ATOM 0 HA LYS A 67 13.135 -13.800 -23.464 1.00 64.12 H new ATOM 0 HB2 LYS A 67 11.219 -12.703 -24.661 1.00 2.11 H new ATOM 0 HB3 LYS A 67 10.932 -14.377 -24.230 1.00 2.11 H new ATOM 0 HG2 LYS A 67 9.647 -13.603 -22.222 1.00 62.51 H new ATOM 0 HG3 LYS A 67 9.877 -11.946 -22.744 1.00 62.51 H new ATOM 0 HD2 LYS A 67 7.685 -12.700 -23.464 1.00 13.05 H new ATOM 0 HD3 LYS A 67 8.694 -12.458 -24.877 1.00 13.05 H new ATOM 0 HE2 LYS A 67 9.081 -14.842 -25.113 1.00 33.43 H new ATOM 0 HE3 LYS A 67 8.350 -15.177 -23.555 1.00 33.43 H new ATOM 0 HZ1 LYS A 67 6.770 -15.680 -25.237 1.00 33.22 H new ATOM 0 HZ2 LYS A 67 6.233 -14.264 -24.468 1.00 33.22 H new ATOM 0 HZ3 LYS A 67 6.974 -14.173 -25.993 1.00 33.22 H new ATOM 634 N TYR A 68 12.713 -11.617 -21.273 1.00 1.03 N ATOM 635 CA TYR A 68 13.096 -10.292 -20.808 1.00 31.44 C ATOM 636 C TYR A 68 13.949 -10.415 -19.551 1.00 72.24 C ATOM 637 O TYR A 68 13.720 -11.295 -18.718 1.00 70.45 O ATOM 638 CB TYR A 68 11.861 -9.419 -20.552 1.00 53.45 C ATOM 639 CG TYR A 68 11.110 -9.073 -21.820 1.00 12.24 C ATOM 640 CD1 TYR A 68 11.630 -8.160 -22.728 1.00 11.04 C ATOM 641 CD2 TYR A 68 9.895 -9.674 -22.118 1.00 71.14 C ATOM 642 CE1 TYR A 68 10.963 -7.857 -23.898 1.00 62.31 C ATOM 643 CE2 TYR A 68 9.218 -9.373 -23.284 1.00 61.43 C ATOM 644 CZ TYR A 68 9.756 -8.464 -24.172 1.00 74.13 C ATOM 645 OH TYR A 68 9.098 -8.175 -25.346 1.00 61.25 O ATOM 0 H TYR A 68 12.475 -12.271 -20.527 1.00 1.03 H new ATOM 0 HA TYR A 68 13.684 -9.804 -21.585 1.00 31.44 H new ATOM 0 HB2 TYR A 68 11.190 -9.940 -19.869 1.00 53.45 H new ATOM 0 HB3 TYR A 68 12.170 -8.499 -20.056 1.00 53.45 H new ATOM 0 HD1 TYR A 68 12.573 -7.678 -22.515 1.00 11.04 H new ATOM 0 HD2 TYR A 68 9.472 -10.388 -21.427 1.00 71.14 H new ATOM 0 HE1 TYR A 68 11.385 -7.148 -24.595 1.00 62.31 H new ATOM 0 HE2 TYR A 68 8.272 -9.847 -23.500 1.00 61.43 H new ATOM 0 HH TYR A 68 8.770 -7.252 -25.318 1.00 61.25 H new ATOM 655 N ASP A 69 14.956 -9.560 -19.453 1.00 64.00 N ATOM 656 CA ASP A 69 15.918 -9.617 -18.352 1.00 35.25 C ATOM 657 C ASP A 69 15.286 -9.169 -17.030 1.00 45.53 C ATOM 658 O ASP A 69 14.088 -8.887 -16.959 1.00 11.31 O ATOM 659 CB ASP A 69 17.154 -8.759 -18.673 1.00 3.13 C ATOM 660 CG ASP A 69 17.055 -7.346 -18.137 1.00 35.34 C ATOM 661 OD1 ASP A 69 16.174 -6.596 -18.582 1.00 51.15 O ATOM 662 OD2 ASP A 69 17.849 -6.994 -17.239 1.00 71.11 O ATOM 0 H ASP A 69 15.132 -8.813 -20.125 1.00 64.00 H new ATOM 0 HA ASP A 69 16.229 -10.655 -18.237 1.00 35.25 H new ATOM 0 HB2 ASP A 69 18.039 -9.238 -18.255 1.00 3.13 H new ATOM 0 HB3 ASP A 69 17.292 -8.722 -19.754 1.00 3.13 H new ATOM 667 N ASP A 70 16.113 -9.099 -15.986 1.00 75.13 N ATOM 668 CA ASP A 70 15.657 -8.755 -14.645 1.00 23.03 C ATOM 669 C ASP A 70 15.034 -7.361 -14.621 1.00 23.22 C ATOM 670 O ASP A 70 14.081 -7.111 -13.881 1.00 60.34 O ATOM 671 CB ASP A 70 16.838 -8.835 -13.675 1.00 21.12 C ATOM 672 CG ASP A 70 16.513 -8.321 -12.287 1.00 71.14 C ATOM 673 OD1 ASP A 70 15.885 -9.063 -11.505 1.00 43.03 O ATOM 674 OD2 ASP A 70 16.915 -7.184 -11.965 1.00 33.34 O ATOM 0 H ASP A 70 17.115 -9.279 -16.049 1.00 75.13 H new ATOM 0 HA ASP A 70 14.889 -9.464 -14.338 1.00 23.03 H new ATOM 0 HB2 ASP A 70 17.169 -9.871 -13.602 1.00 21.12 H new ATOM 0 HB3 ASP A 70 17.671 -8.261 -14.081 1.00 21.12 H new ATOM 679 N GLN A 71 15.560 -6.465 -15.450 1.00 5.20 N ATOM 680 CA GLN A 71 15.041 -5.108 -15.540 1.00 44.50 C ATOM 681 C GLN A 71 13.782 -5.057 -16.403 1.00 43.41 C ATOM 682 O GLN A 71 12.914 -4.202 -16.204 1.00 12.23 O ATOM 683 CB GLN A 71 16.107 -4.175 -16.113 1.00 70.12 C ATOM 684 CG GLN A 71 17.359 -4.078 -15.254 1.00 44.42 C ATOM 685 CD GLN A 71 17.071 -3.557 -13.857 1.00 71.32 C ATOM 686 OE1 GLN A 71 17.080 -2.350 -13.620 1.00 61.53 O ATOM 687 NE2 GLN A 71 16.823 -4.462 -12.920 1.00 5.44 N ATOM 0 H GLN A 71 16.347 -6.657 -16.070 1.00 5.20 H new ATOM 0 HA GLN A 71 14.778 -4.778 -14.535 1.00 44.50 H new ATOM 0 HB2 GLN A 71 16.385 -4.523 -17.108 1.00 70.12 H new ATOM 0 HB3 GLN A 71 15.680 -3.179 -16.232 1.00 70.12 H new ATOM 0 HG2 GLN A 71 17.823 -5.062 -15.182 1.00 44.42 H new ATOM 0 HG3 GLN A 71 18.079 -3.421 -15.741 1.00 44.42 H new ATOM 0 HE21 GLN A 71 16.825 -5.454 -13.156 1.00 5.44 H new ATOM 0 HE22 GLN A 71 16.631 -4.166 -11.963 1.00 5.44 H new ATOM 696 N GLY A 72 13.685 -5.978 -17.350 1.00 72.23 N ATOM 697 CA GLY A 72 12.527 -6.033 -18.224 1.00 34.24 C ATOM 698 C GLY A 72 12.879 -5.703 -19.662 1.00 14.23 C ATOM 699 O GLY A 72 11.995 -5.519 -20.502 1.00 33.23 O ATOM 0 H GLY A 72 14.390 -6.692 -17.531 1.00 72.23 H new ATOM 0 HA2 GLY A 72 12.087 -7.029 -18.179 1.00 34.24 H new ATOM 0 HA3 GLY A 72 11.771 -5.334 -17.867 1.00 34.24 H new ATOM 703 N ARG A 73 14.168 -5.613 -19.937 1.00 24.23 N ATOM 704 CA ARG A 73 14.655 -5.303 -21.272 1.00 22.34 C ATOM 705 C ARG A 73 14.871 -6.586 -22.068 1.00 63.53 C ATOM 706 O ARG A 73 14.855 -7.683 -21.508 1.00 42.03 O ATOM 707 CB ARG A 73 15.961 -4.506 -21.197 1.00 43.11 C ATOM 708 CG ARG A 73 15.842 -3.183 -20.450 1.00 1.31 C ATOM 709 CD ARG A 73 14.804 -2.274 -21.086 1.00 22.12 C ATOM 710 NE ARG A 73 14.779 -0.944 -20.478 1.00 3.54 N ATOM 711 CZ ARG A 73 13.703 -0.154 -20.455 1.00 31.54 C ATOM 712 NH1 ARG A 73 12.545 -0.594 -20.934 1.00 42.44 N ATOM 713 NH2 ARG A 73 13.780 1.070 -19.943 1.00 13.43 N ATOM 0 H ARG A 73 14.905 -5.752 -19.246 1.00 24.23 H new ATOM 0 HA ARG A 73 13.905 -4.695 -21.778 1.00 22.34 H new ATOM 0 HB2 ARG A 73 16.720 -5.118 -20.710 1.00 43.11 H new ATOM 0 HB3 ARG A 73 16.312 -4.308 -22.210 1.00 43.11 H new ATOM 0 HG2 ARG A 73 15.572 -3.374 -19.411 1.00 1.31 H new ATOM 0 HG3 ARG A 73 16.810 -2.681 -20.441 1.00 1.31 H new ATOM 0 HD2 ARG A 73 15.012 -2.179 -22.152 1.00 22.12 H new ATOM 0 HD3 ARG A 73 13.819 -2.731 -20.993 1.00 22.12 H new ATOM 0 HE ARG A 73 15.636 -0.599 -20.045 1.00 3.54 H new ATOM 0 HH11 ARG A 73 12.477 -1.536 -21.320 1.00 42.44 H new ATOM 0 HH12 ARG A 73 11.723 0.010 -20.916 1.00 42.44 H new ATOM 0 HH21 ARG A 73 14.664 1.410 -19.565 1.00 13.43 H new ATOM 0 HH22 ARG A 73 12.955 1.669 -19.928 1.00 13.43 H new ATOM 727 N GLU A 74 15.069 -6.442 -23.374 1.00 34.23 N ATOM 728 CA GLU A 74 15.248 -7.586 -24.261 1.00 62.10 C ATOM 729 C GLU A 74 16.443 -8.442 -23.850 1.00 62.14 C ATOM 730 O GLU A 74 17.504 -7.923 -23.501 1.00 3.04 O ATOM 731 CB GLU A 74 15.455 -7.115 -25.697 1.00 74.33 C ATOM 732 CG GLU A 74 14.299 -6.312 -26.261 1.00 20.04 C ATOM 733 CD GLU A 74 14.556 -5.873 -27.685 1.00 33.51 C ATOM 734 OE1 GLU A 74 15.235 -4.842 -27.879 1.00 72.13 O ATOM 735 OE2 GLU A 74 14.092 -6.560 -28.615 1.00 52.45 O ATOM 0 H GLU A 74 15.110 -5.538 -23.844 1.00 34.23 H new ATOM 0 HA GLU A 74 14.344 -8.191 -24.188 1.00 62.10 H new ATOM 0 HB2 GLU A 74 16.360 -6.509 -25.742 1.00 74.33 H new ATOM 0 HB3 GLU A 74 15.622 -7.985 -26.332 1.00 74.33 H new ATOM 0 HG2 GLU A 74 13.389 -6.912 -26.225 1.00 20.04 H new ATOM 0 HG3 GLU A 74 14.128 -5.435 -25.637 1.00 20.04 H new ATOM 742 N THR A 75 16.262 -9.751 -23.894 1.00 4.21 N ATOM 743 CA THR A 75 17.357 -10.674 -23.667 1.00 14.24 C ATOM 744 C THR A 75 18.051 -10.993 -24.985 1.00 23.33 C ATOM 745 O THR A 75 17.639 -10.510 -26.044 1.00 32.55 O ATOM 746 CB THR A 75 16.857 -11.986 -23.033 1.00 72.12 C ATOM 747 OG1 THR A 75 15.779 -12.527 -23.809 1.00 73.42 O ATOM 748 CG2 THR A 75 16.395 -11.764 -21.603 1.00 2.40 C ATOM 0 H THR A 75 15.365 -10.197 -24.085 1.00 4.21 H new ATOM 0 HA THR A 75 18.058 -10.197 -22.982 1.00 14.24 H new ATOM 0 HB THR A 75 17.688 -12.691 -23.020 1.00 72.12 H new ATOM 0 HG1 THR A 75 15.468 -13.362 -23.400 1.00 73.42 H new ATOM 0 HG21 THR A 75 16.048 -12.708 -21.182 1.00 2.40 H new ATOM 0 HG22 THR A 75 17.225 -11.385 -21.007 1.00 2.40 H new ATOM 0 HG23 THR A 75 15.580 -11.040 -21.592 1.00 2.40 H new ATOM 756 N ALA A 76 19.102 -11.802 -24.920 1.00 71.21 N ATOM 757 CA ALA A 76 19.763 -12.290 -26.125 1.00 30.40 C ATOM 758 C ALA A 76 18.759 -13.022 -27.010 1.00 10.15 C ATOM 759 O ALA A 76 18.836 -12.974 -28.236 1.00 3.14 O ATOM 760 CB ALA A 76 20.921 -13.206 -25.764 1.00 55.04 C ATOM 0 H ALA A 76 19.514 -12.133 -24.048 1.00 71.21 H new ATOM 0 HA ALA A 76 20.161 -11.438 -26.676 1.00 30.40 H new ATOM 0 HB1 ALA A 76 21.402 -13.561 -26.675 1.00 55.04 H new ATOM 0 HB2 ALA A 76 21.645 -12.657 -25.161 1.00 55.04 H new ATOM 0 HB3 ALA A 76 20.548 -14.058 -25.196 1.00 55.04 H new ATOM 766 N CYS A 77 17.805 -13.681 -26.363 1.00 73.54 N ATOM 767 CA CYS A 77 16.738 -14.382 -27.058 1.00 24.23 C ATOM 768 C CYS A 77 15.767 -13.393 -27.700 1.00 12.10 C ATOM 769 O CYS A 77 15.445 -13.507 -28.883 1.00 53.12 O ATOM 770 CB CYS A 77 15.994 -15.290 -26.078 1.00 1.40 C ATOM 771 SG CYS A 77 14.536 -16.121 -26.781 1.00 15.13 S ATOM 0 H CYS A 77 17.751 -13.743 -25.346 1.00 73.54 H new ATOM 0 HA CYS A 77 17.178 -14.989 -27.849 1.00 24.23 H new ATOM 0 HB2 CYS A 77 16.685 -16.047 -25.707 1.00 1.40 H new ATOM 0 HB3 CYS A 77 15.680 -14.697 -25.219 1.00 1.40 H new ATOM 776 N ALA A 78 15.326 -12.403 -26.923 1.00 13.43 N ATOM 777 CA ALA A 78 14.367 -11.412 -27.405 1.00 42.41 C ATOM 778 C ALA A 78 14.912 -10.612 -28.585 1.00 3.04 C ATOM 779 O ALA A 78 14.156 -10.197 -29.462 1.00 64.23 O ATOM 780 CB ALA A 78 13.961 -10.477 -26.281 1.00 2.54 C ATOM 0 H ALA A 78 15.619 -12.267 -25.956 1.00 13.43 H new ATOM 0 HA ALA A 78 13.489 -11.955 -27.755 1.00 42.41 H new ATOM 0 HB1 ALA A 78 13.246 -9.745 -26.657 1.00 2.54 H new ATOM 0 HB2 ALA A 78 13.502 -11.052 -25.477 1.00 2.54 H new ATOM 0 HB3 ALA A 78 14.843 -9.961 -25.901 1.00 2.54 H new ATOM 786 N LYS A 79 16.221 -10.417 -28.627 1.00 55.24 N ATOM 787 CA LYS A 79 16.821 -9.674 -29.722 1.00 74.33 C ATOM 788 C LYS A 79 16.985 -10.600 -30.915 1.00 3.42 C ATOM 789 O LYS A 79 16.856 -10.189 -32.068 1.00 54.34 O ATOM 790 CB LYS A 79 18.177 -9.090 -29.314 1.00 64.34 C ATOM 791 CG LYS A 79 18.890 -8.352 -30.445 1.00 51.00 C ATOM 792 CD LYS A 79 20.208 -7.748 -29.985 1.00 52.33 C ATOM 793 CE LYS A 79 20.927 -7.027 -31.121 1.00 4.53 C ATOM 794 NZ LYS A 79 21.430 -7.964 -32.161 1.00 64.22 N ATOM 0 H LYS A 79 16.879 -10.758 -27.926 1.00 55.24 H new ATOM 0 HA LYS A 79 16.168 -8.842 -29.986 1.00 74.33 H new ATOM 0 HB2 LYS A 79 18.032 -8.405 -28.479 1.00 64.34 H new ATOM 0 HB3 LYS A 79 18.818 -9.896 -28.957 1.00 64.34 H new ATOM 0 HG2 LYS A 79 19.074 -9.041 -31.269 1.00 51.00 H new ATOM 0 HG3 LYS A 79 18.243 -7.563 -30.828 1.00 51.00 H new ATOM 0 HD2 LYS A 79 20.023 -7.048 -29.170 1.00 52.33 H new ATOM 0 HD3 LYS A 79 20.850 -8.535 -29.590 1.00 52.33 H new ATOM 0 HE2 LYS A 79 20.246 -6.310 -31.581 1.00 4.53 H new ATOM 0 HE3 LYS A 79 21.763 -6.458 -30.714 1.00 4.53 H new ATOM 0 HZ1 LYS A 79 21.983 -7.436 -32.866 1.00 64.22 H new ATOM 0 HZ2 LYS A 79 22.034 -8.684 -31.716 1.00 64.22 H new ATOM 0 HZ3 LYS A 79 20.625 -8.428 -32.629 1.00 64.22 H new ATOM 808 N GLY A 80 17.226 -11.869 -30.610 1.00 21.44 N ATOM 809 CA GLY A 80 17.513 -12.849 -31.631 1.00 43.25 C ATOM 810 C GLY A 80 16.316 -13.139 -32.508 1.00 15.50 C ATOM 811 O GLY A 80 16.438 -13.183 -33.724 1.00 2.13 O ATOM 0 H GLY A 80 17.227 -12.237 -29.659 1.00 21.44 H new ATOM 0 HA2 GLY A 80 18.336 -12.493 -32.251 1.00 43.25 H new ATOM 0 HA3 GLY A 80 17.846 -13.773 -31.159 1.00 43.25 H new ATOM 815 N ILE A 81 15.149 -13.295 -31.903 1.00 51.34 N ATOM 816 CA ILE A 81 13.946 -13.655 -32.649 1.00 23.30 C ATOM 817 C ILE A 81 13.636 -12.610 -33.720 1.00 52.53 C ATOM 818 O ILE A 81 13.413 -12.944 -34.884 1.00 1.34 O ATOM 819 CB ILE A 81 12.733 -13.806 -31.705 1.00 71.53 C ATOM 820 CG1 ILE A 81 13.018 -14.877 -30.649 1.00 22.25 C ATOM 821 CG2 ILE A 81 11.477 -14.152 -32.491 1.00 75.32 C ATOM 822 CD1 ILE A 81 11.917 -15.038 -29.622 1.00 24.41 C ATOM 0 H ILE A 81 15.006 -13.179 -30.900 1.00 51.34 H new ATOM 0 HA ILE A 81 14.135 -14.613 -33.133 1.00 23.30 H new ATOM 0 HB ILE A 81 12.565 -12.854 -31.202 1.00 71.53 H new ATOM 0 HG12 ILE A 81 13.177 -15.832 -31.149 1.00 22.25 H new ATOM 0 HG13 ILE A 81 13.946 -14.628 -30.135 1.00 22.25 H new ATOM 0 HG21 ILE A 81 10.635 -14.254 -31.806 1.00 75.32 H new ATOM 0 HG22 ILE A 81 11.267 -13.359 -33.209 1.00 75.32 H new ATOM 0 HG23 ILE A 81 11.628 -15.092 -33.022 1.00 75.32 H new ATOM 0 HD11 ILE A 81 12.195 -15.815 -28.910 1.00 24.41 H new ATOM 0 HD12 ILE A 81 11.772 -14.096 -29.093 1.00 24.41 H new ATOM 0 HD13 ILE A 81 10.991 -15.319 -30.123 1.00 24.41 H new ATOM 834 N ARG A 82 13.669 -11.346 -33.323 1.00 21.41 N ATOM 835 CA ARG A 82 13.303 -10.263 -34.232 1.00 10.20 C ATOM 836 C ARG A 82 14.330 -10.064 -35.351 1.00 12.33 C ATOM 837 O ARG A 82 13.995 -9.529 -36.407 1.00 54.04 O ATOM 838 CB ARG A 82 13.011 -8.944 -33.502 1.00 35.54 C ATOM 839 CG ARG A 82 14.135 -8.377 -32.646 1.00 52.13 C ATOM 840 CD ARG A 82 13.771 -6.967 -32.198 1.00 52.51 C ATOM 841 NE ARG A 82 14.670 -6.414 -31.187 1.00 65.44 N ATOM 842 CZ ARG A 82 15.597 -5.495 -31.442 1.00 35.13 C ATOM 843 NH1 ARG A 82 15.852 -5.139 -32.696 1.00 32.22 N ATOM 844 NH2 ARG A 82 16.258 -4.925 -30.441 1.00 75.54 N ATOM 0 H ARG A 82 13.942 -11.044 -32.388 1.00 21.41 H new ATOM 0 HA ARG A 82 12.371 -10.579 -34.700 1.00 10.20 H new ATOM 0 HB2 ARG A 82 12.738 -8.196 -34.246 1.00 35.54 H new ATOM 0 HB3 ARG A 82 12.139 -9.093 -32.865 1.00 35.54 H new ATOM 0 HG2 ARG A 82 14.302 -9.014 -31.778 1.00 52.13 H new ATOM 0 HG3 ARG A 82 15.066 -8.361 -33.213 1.00 52.13 H new ATOM 0 HD2 ARG A 82 13.770 -6.309 -33.067 1.00 52.51 H new ATOM 0 HD3 ARG A 82 12.755 -6.973 -31.802 1.00 52.51 H new ATOM 0 HE ARG A 82 14.581 -6.753 -30.229 1.00 65.44 H new ATOM 0 HH11 ARG A 82 15.337 -5.570 -33.463 1.00 32.22 H new ATOM 0 HH12 ARG A 82 16.563 -4.434 -32.892 1.00 32.22 H new ATOM 0 HH21 ARG A 82 16.055 -5.192 -29.478 1.00 75.54 H new ATOM 0 HH22 ARG A 82 16.969 -4.220 -30.635 1.00 75.54 H new ATOM 858 N GLU A 83 15.575 -10.482 -35.131 1.00 22.22 N ATOM 859 CA GLU A 83 16.592 -10.391 -36.180 1.00 1.31 C ATOM 860 C GLU A 83 16.664 -11.678 -37.014 1.00 4.24 C ATOM 861 O GLU A 83 17.124 -11.664 -38.157 1.00 12.51 O ATOM 862 CB GLU A 83 17.965 -10.064 -35.584 1.00 71.34 C ATOM 863 CG GLU A 83 18.468 -11.094 -34.591 1.00 3.11 C ATOM 864 CD GLU A 83 19.792 -10.709 -33.973 1.00 61.23 C ATOM 865 OE1 GLU A 83 19.948 -9.535 -33.579 1.00 41.34 O ATOM 866 OE2 GLU A 83 20.680 -11.581 -33.868 1.00 51.44 O ATOM 0 H GLU A 83 15.902 -10.881 -34.251 1.00 22.22 H new ATOM 0 HA GLU A 83 16.298 -9.579 -36.845 1.00 1.31 H new ATOM 0 HB2 GLU A 83 18.689 -9.972 -36.394 1.00 71.34 H new ATOM 0 HB3 GLU A 83 17.914 -9.093 -35.090 1.00 71.34 H new ATOM 0 HG2 GLU A 83 17.727 -11.224 -33.802 1.00 3.11 H new ATOM 0 HG3 GLU A 83 18.572 -12.056 -35.093 1.00 3.11 H new ATOM 873 N LYS A 84 16.222 -12.793 -36.432 1.00 42.04 N ATOM 874 CA LYS A 84 16.205 -14.076 -37.136 1.00 12.10 C ATOM 875 C LYS A 84 14.979 -14.180 -38.033 1.00 72.21 C ATOM 876 O LYS A 84 15.086 -14.392 -39.241 1.00 61.22 O ATOM 877 CB LYS A 84 16.189 -15.242 -36.137 1.00 45.01 C ATOM 878 CG LYS A 84 17.482 -15.429 -35.355 1.00 4.15 C ATOM 879 CD LYS A 84 17.314 -16.455 -34.237 1.00 72.34 C ATOM 880 CE LYS A 84 16.864 -17.806 -34.772 1.00 3.41 C ATOM 881 NZ LYS A 84 16.743 -18.826 -33.694 1.00 33.21 N ATOM 0 H LYS A 84 15.871 -12.834 -35.475 1.00 42.04 H new ATOM 0 HA LYS A 84 17.107 -14.131 -37.745 1.00 12.10 H new ATOM 0 HB2 LYS A 84 15.373 -15.086 -35.431 1.00 45.01 H new ATOM 0 HB3 LYS A 84 15.971 -16.163 -36.678 1.00 45.01 H new ATOM 0 HG2 LYS A 84 18.274 -15.752 -36.031 1.00 4.15 H new ATOM 0 HG3 LYS A 84 17.794 -14.474 -34.931 1.00 4.15 H new ATOM 0 HD2 LYS A 84 18.258 -16.571 -33.705 1.00 72.34 H new ATOM 0 HD3 LYS A 84 16.584 -16.089 -33.515 1.00 72.34 H new ATOM 0 HE2 LYS A 84 15.903 -17.694 -35.274 1.00 3.41 H new ATOM 0 HE3 LYS A 84 17.576 -18.154 -35.521 1.00 3.41 H new ATOM 0 HZ1 LYS A 84 16.703 -19.775 -34.117 1.00 33.21 H new ATOM 0 HZ2 LYS A 84 17.567 -18.763 -33.062 1.00 33.21 H new ATOM 0 HZ3 LYS A 84 15.875 -18.653 -33.149 1.00 33.21 H new ATOM 895 N TYR A 85 13.816 -13.988 -37.432 1.00 12.52 N ATOM 896 CA TYR A 85 12.536 -14.179 -38.105 1.00 51.11 C ATOM 897 C TYR A 85 12.029 -12.847 -38.646 1.00 72.24 C ATOM 898 O TYR A 85 10.828 -12.580 -38.663 1.00 23.43 O ATOM 899 CB TYR A 85 11.533 -14.808 -37.133 1.00 10.32 C ATOM 900 CG TYR A 85 12.062 -16.072 -36.490 1.00 12.43 C ATOM 901 CD1 TYR A 85 11.995 -17.292 -37.150 1.00 32.15 C ATOM 902 CD2 TYR A 85 12.651 -16.036 -35.234 1.00 30.55 C ATOM 903 CE1 TYR A 85 12.502 -18.441 -36.572 1.00 1.14 C ATOM 904 CE2 TYR A 85 13.155 -17.180 -34.651 1.00 70.43 C ATOM 905 CZ TYR A 85 13.081 -18.377 -35.323 1.00 2.02 C ATOM 906 OH TYR A 85 13.598 -19.514 -34.752 1.00 74.40 O ATOM 0 H TYR A 85 13.730 -13.694 -36.459 1.00 12.52 H new ATOM 0 HA TYR A 85 12.661 -14.856 -38.950 1.00 51.11 H new ATOM 0 HB2 TYR A 85 11.284 -14.086 -36.356 1.00 10.32 H new ATOM 0 HB3 TYR A 85 10.609 -15.034 -37.666 1.00 10.32 H new ATOM 0 HD1 TYR A 85 11.541 -17.344 -38.128 1.00 32.15 H new ATOM 0 HD2 TYR A 85 12.716 -15.097 -34.704 1.00 30.55 H new ATOM 0 HE1 TYR A 85 12.445 -19.383 -37.096 1.00 1.14 H new ATOM 0 HE2 TYR A 85 13.606 -17.136 -33.671 1.00 70.43 H new ATOM 0 HH TYR A 85 13.898 -19.315 -33.840 1.00 74.40 H new ATOM 916 N LYS A 86 12.989 -12.032 -39.078 1.00 60.13 N ATOM 917 CA LYS A 86 12.759 -10.662 -39.532 1.00 32.01 C ATOM 918 C LYS A 86 11.556 -10.518 -40.467 1.00 54.45 C ATOM 919 O LYS A 86 11.224 -11.422 -41.243 1.00 55.02 O ATOM 920 CB LYS A 86 13.990 -10.153 -40.293 1.00 43.04 C ATOM 921 CG LYS A 86 14.109 -10.752 -41.692 1.00 53.20 C ATOM 922 CD LYS A 86 15.199 -10.092 -42.515 1.00 61.14 C ATOM 923 CE LYS A 86 16.566 -10.231 -41.874 1.00 13.23 C ATOM 924 NZ LYS A 86 17.622 -9.585 -42.695 1.00 44.21 N ATOM 0 H LYS A 86 13.969 -12.311 -39.123 1.00 60.13 H new ATOM 0 HA LYS A 86 12.562 -10.083 -38.630 1.00 32.01 H new ATOM 0 HB2 LYS A 86 13.940 -9.067 -40.371 1.00 43.04 H new ATOM 0 HB3 LYS A 86 14.888 -10.391 -39.723 1.00 43.04 H new ATOM 0 HG2 LYS A 86 14.315 -11.819 -41.611 1.00 53.20 H new ATOM 0 HG3 LYS A 86 13.155 -10.650 -42.210 1.00 53.20 H new ATOM 0 HD2 LYS A 86 15.220 -10.536 -43.510 1.00 61.14 H new ATOM 0 HD3 LYS A 86 14.966 -9.035 -42.643 1.00 61.14 H new ATOM 0 HE2 LYS A 86 16.550 -9.782 -40.881 1.00 13.23 H new ATOM 0 HE3 LYS A 86 16.801 -11.287 -41.743 1.00 13.23 H new ATOM 0 HZ1 LYS A 86 18.544 -9.699 -42.227 1.00 44.21 H new ATOM 0 HZ2 LYS A 86 17.653 -10.031 -43.634 1.00 44.21 H new ATOM 0 HZ3 LYS A 86 17.410 -8.572 -42.799 1.00 44.21 H new ATOM 938 N PRO A 87 10.886 -9.367 -40.386 1.00 34.33 N ATOM 939 CA PRO A 87 9.970 -8.919 -41.415 1.00 32.21 C ATOM 940 C PRO A 87 10.722 -8.107 -42.468 1.00 51.41 C ATOM 941 O PRO A 87 11.884 -7.734 -42.258 1.00 24.00 O ATOM 942 CB PRO A 87 8.998 -8.040 -40.634 1.00 12.34 C ATOM 943 CG PRO A 87 9.819 -7.450 -39.533 1.00 2.40 C ATOM 944 CD PRO A 87 10.944 -8.420 -39.257 1.00 54.12 C ATOM 0 HA PRO A 87 9.477 -9.727 -41.955 1.00 32.21 H new ATOM 0 HB2 PRO A 87 8.570 -7.264 -41.268 1.00 12.34 H new ATOM 0 HB3 PRO A 87 8.167 -8.624 -40.239 1.00 12.34 H new ATOM 0 HG2 PRO A 87 10.212 -6.476 -39.824 1.00 2.40 H new ATOM 0 HG3 PRO A 87 9.214 -7.296 -38.640 1.00 2.40 H new ATOM 0 HD2 PRO A 87 11.907 -7.911 -39.212 1.00 54.12 H new ATOM 0 HD3 PRO A 87 10.807 -8.928 -38.303 1.00 54.12 H new ATOM 952 N ALA A 88 10.087 -7.848 -43.601 1.00 2.54 N ATOM 953 CA ALA A 88 10.714 -7.046 -44.644 1.00 15.13 C ATOM 954 C ALA A 88 10.843 -5.593 -44.213 1.00 32.14 C ATOM 955 O ALA A 88 9.932 -4.790 -44.407 1.00 70.03 O ATOM 956 CB ALA A 88 9.934 -7.132 -45.943 1.00 50.43 C ATOM 0 H ALA A 88 9.147 -8.177 -43.822 1.00 2.54 H new ATOM 0 HA ALA A 88 11.712 -7.451 -44.810 1.00 15.13 H new ATOM 0 HB1 ALA A 88 10.425 -6.524 -46.703 1.00 50.43 H new ATOM 0 HB2 ALA A 88 9.896 -8.169 -46.277 1.00 50.43 H new ATOM 0 HB3 ALA A 88 8.920 -6.765 -45.784 1.00 50.43 H new ATOM 962 N VAL A 89 11.985 -5.280 -43.627 1.00 30.44 N ATOM 963 CA VAL A 89 12.331 -3.923 -43.237 1.00 52.33 C ATOM 964 C VAL A 89 13.839 -3.755 -43.323 1.00 14.35 C ATOM 965 O VAL A 89 14.580 -4.730 -43.189 1.00 12.13 O ATOM 966 CB VAL A 89 11.874 -3.571 -41.794 1.00 31.34 C ATOM 967 CG1 VAL A 89 10.364 -3.397 -41.713 1.00 1.30 C ATOM 968 CG2 VAL A 89 12.339 -4.629 -40.800 1.00 62.12 C ATOM 0 H VAL A 89 12.706 -5.967 -43.406 1.00 30.44 H new ATOM 0 HA VAL A 89 11.811 -3.250 -43.919 1.00 52.33 H new ATOM 0 HB VAL A 89 12.337 -2.620 -41.531 1.00 31.34 H new ATOM 0 HG11 VAL A 89 10.080 -3.152 -40.690 1.00 1.30 H new ATOM 0 HG12 VAL A 89 10.054 -2.591 -42.379 1.00 1.30 H new ATOM 0 HG13 VAL A 89 9.874 -4.324 -42.013 1.00 1.30 H new ATOM 0 HG21 VAL A 89 12.006 -4.358 -39.798 1.00 62.12 H new ATOM 0 HG22 VAL A 89 11.917 -5.596 -41.074 1.00 62.12 H new ATOM 0 HG23 VAL A 89 13.427 -4.690 -40.816 1.00 62.12 H new ATOM 978 N VAL A 90 14.285 -2.536 -43.567 1.00 50.00 N ATOM 979 CA VAL A 90 15.710 -2.241 -43.583 1.00 42.24 C ATOM 980 C VAL A 90 16.281 -2.296 -42.166 1.00 33.11 C ATOM 981 O VAL A 90 15.975 -1.456 -41.323 1.00 70.44 O ATOM 982 CB VAL A 90 16.003 -0.865 -44.225 1.00 45.30 C ATOM 983 CG1 VAL A 90 15.952 -0.969 -45.742 1.00 31.25 C ATOM 984 CG2 VAL A 90 15.015 0.186 -43.735 1.00 20.22 C ATOM 0 H VAL A 90 13.684 -1.734 -43.757 1.00 50.00 H new ATOM 0 HA VAL A 90 16.196 -3.002 -44.194 1.00 42.24 H new ATOM 0 HB VAL A 90 17.005 -0.557 -43.926 1.00 45.30 H new ATOM 0 HG11 VAL A 90 16.160 0.007 -46.181 1.00 31.25 H new ATOM 0 HG12 VAL A 90 16.698 -1.687 -46.083 1.00 31.25 H new ATOM 0 HG13 VAL A 90 14.961 -1.302 -46.051 1.00 31.25 H new ATOM 0 HG21 VAL A 90 15.243 1.145 -44.201 1.00 20.22 H new ATOM 0 HG22 VAL A 90 14.002 -0.115 -44.001 1.00 20.22 H new ATOM 0 HG23 VAL A 90 15.093 0.282 -42.652 1.00 20.22 H new ATOM 994 N TYR A 91 17.086 -3.316 -41.906 1.00 30.45 N ATOM 995 CA TYR A 91 17.630 -3.540 -40.577 1.00 51.44 C ATOM 996 C TYR A 91 19.117 -3.210 -40.541 1.00 53.21 C ATOM 997 O TYR A 91 19.884 -3.654 -41.396 1.00 54.35 O ATOM 998 CB TYR A 91 17.405 -4.995 -40.159 1.00 32.13 C ATOM 999 CG TYR A 91 16.687 -5.152 -38.835 1.00 62.54 C ATOM 1000 CD1 TYR A 91 15.463 -4.536 -38.611 1.00 14.34 C ATOM 1001 CD2 TYR A 91 17.230 -5.922 -37.813 1.00 14.13 C ATOM 1002 CE1 TYR A 91 14.798 -4.684 -37.408 1.00 72.41 C ATOM 1003 CE2 TYR A 91 16.571 -6.074 -36.607 1.00 64.23 C ATOM 1004 CZ TYR A 91 15.356 -5.452 -36.408 1.00 43.22 C ATOM 1005 OH TYR A 91 14.690 -5.604 -35.211 1.00 10.13 O ATOM 0 H TYR A 91 17.377 -4.003 -42.601 1.00 30.45 H new ATOM 0 HA TYR A 91 17.115 -2.883 -39.877 1.00 51.44 H new ATOM 0 HB2 TYR A 91 16.830 -5.500 -40.935 1.00 32.13 H new ATOM 0 HB3 TYR A 91 18.370 -5.498 -40.099 1.00 32.13 H new ATOM 0 HD1 TYR A 91 15.023 -3.931 -39.390 1.00 14.34 H new ATOM 0 HD2 TYR A 91 18.182 -6.409 -37.963 1.00 14.13 H new ATOM 0 HE1 TYR A 91 13.845 -4.200 -37.252 1.00 72.41 H new ATOM 0 HE2 TYR A 91 17.006 -6.677 -35.824 1.00 64.23 H new ATOM 0 HH TYR A 91 13.724 -5.550 -35.365 1.00 10.13 H new ATOM 1015 N GLY A 92 19.510 -2.427 -39.550 1.00 12.31 N ATOM 1016 CA GLY A 92 20.899 -2.051 -39.406 1.00 12.14 C ATOM 1017 C GLY A 92 21.645 -2.955 -38.446 1.00 45.21 C ATOM 1018 O GLY A 92 21.037 -3.781 -37.765 1.00 72.11 O ATOM 0 H GLY A 92 18.888 -2.043 -38.839 1.00 12.31 H new ATOM 0 HA2 GLY A 92 21.384 -2.082 -40.382 1.00 12.14 H new ATOM 0 HA3 GLY A 92 20.959 -1.022 -39.053 1.00 12.14 H new ATOM 1022 N TYR A 93 22.958 -2.767 -38.378 1.00 15.32 N ATOM 1023 CA TYR A 93 23.847 -3.611 -37.575 1.00 21.14 C ATOM 1024 C TYR A 93 23.440 -3.695 -36.098 1.00 64.12 C ATOM 1025 O TYR A 93 23.601 -4.739 -35.470 1.00 14.21 O ATOM 1026 CB TYR A 93 25.293 -3.110 -37.698 1.00 65.52 C ATOM 1027 CG TYR A 93 25.447 -1.605 -37.575 1.00 42.10 C ATOM 1028 CD1 TYR A 93 25.528 -0.990 -36.332 1.00 62.33 C ATOM 1029 CD2 TYR A 93 25.510 -0.801 -38.707 1.00 65.13 C ATOM 1030 CE1 TYR A 93 25.668 0.382 -36.220 1.00 0.44 C ATOM 1031 CE2 TYR A 93 25.649 0.572 -38.605 1.00 22.10 C ATOM 1032 CZ TYR A 93 25.729 1.159 -37.359 1.00 63.33 C ATOM 1033 OH TYR A 93 25.865 2.526 -37.250 1.00 64.43 O ATOM 0 H TYR A 93 23.442 -2.022 -38.879 1.00 15.32 H new ATOM 0 HA TYR A 93 23.764 -4.622 -37.974 1.00 21.14 H new ATOM 0 HB2 TYR A 93 25.898 -3.589 -36.928 1.00 65.52 H new ATOM 0 HB3 TYR A 93 25.694 -3.427 -38.661 1.00 65.52 H new ATOM 0 HD1 TYR A 93 25.481 -1.593 -35.437 1.00 62.33 H new ATOM 0 HD2 TYR A 93 25.449 -1.256 -39.684 1.00 65.13 H new ATOM 0 HE1 TYR A 93 25.729 0.843 -35.245 1.00 0.44 H new ATOM 0 HE2 TYR A 93 25.695 1.181 -39.496 1.00 22.10 H new ATOM 0 HH TYR A 93 25.893 2.924 -38.145 1.00 64.43 H new ATOM 1043 N ASP A 94 22.912 -2.609 -35.545 1.00 71.45 N ATOM 1044 CA ASP A 94 22.532 -2.588 -34.130 1.00 73.35 C ATOM 1045 C ASP A 94 21.219 -3.335 -33.897 1.00 42.02 C ATOM 1046 O ASP A 94 20.919 -3.761 -32.779 1.00 0.51 O ATOM 1047 CB ASP A 94 22.402 -1.138 -33.643 1.00 30.21 C ATOM 1048 CG ASP A 94 21.811 -1.029 -32.245 1.00 53.41 C ATOM 1049 OD1 ASP A 94 22.570 -1.106 -31.257 1.00 21.11 O ATOM 1050 OD2 ASP A 94 20.579 -0.854 -32.130 1.00 43.15 O ATOM 0 H ASP A 94 22.737 -1.738 -36.046 1.00 71.45 H new ATOM 0 HA ASP A 94 23.314 -3.093 -33.563 1.00 73.35 H new ATOM 0 HB2 ASP A 94 23.385 -0.668 -33.653 1.00 30.21 H new ATOM 0 HB3 ASP A 94 21.776 -0.582 -34.340 1.00 30.21 H new ATOM 1055 N GLY A 95 20.465 -3.542 -34.965 1.00 11.01 N ATOM 1056 CA GLY A 95 19.144 -4.119 -34.833 1.00 63.25 C ATOM 1057 C GLY A 95 18.063 -3.057 -34.847 1.00 73.12 C ATOM 1058 O GLY A 95 16.958 -3.270 -34.351 1.00 64.45 O ATOM 0 H GLY A 95 20.744 -3.321 -35.921 1.00 11.01 H new ATOM 0 HA2 GLY A 95 18.972 -4.824 -35.647 1.00 63.25 H new ATOM 0 HA3 GLY A 95 19.086 -4.685 -33.903 1.00 63.25 H new ATOM 1062 N LYS A 96 18.392 -1.896 -35.395 1.00 63.31 N ATOM 1063 CA LYS A 96 17.416 -0.830 -35.573 1.00 71.53 C ATOM 1064 C LYS A 96 16.960 -0.792 -37.023 1.00 2.12 C ATOM 1065 O LYS A 96 17.676 -1.264 -37.907 1.00 32.23 O ATOM 1066 CB LYS A 96 18.003 0.530 -35.168 1.00 52.45 C ATOM 1067 CG LYS A 96 18.282 0.663 -33.683 1.00 21.13 C ATOM 1068 CD LYS A 96 18.636 2.094 -33.315 1.00 22.15 C ATOM 1069 CE LYS A 96 18.869 2.255 -31.820 1.00 22.03 C ATOM 1070 NZ LYS A 96 20.140 1.622 -31.375 1.00 64.11 N ATOM 0 H LYS A 96 19.330 -1.668 -35.725 1.00 63.31 H new ATOM 0 HA LYS A 96 16.561 -1.033 -34.928 1.00 71.53 H new ATOM 0 HB2 LYS A 96 18.930 0.692 -35.718 1.00 52.45 H new ATOM 0 HB3 LYS A 96 17.312 1.317 -35.469 1.00 52.45 H new ATOM 0 HG2 LYS A 96 17.407 0.345 -33.116 1.00 21.13 H new ATOM 0 HG3 LYS A 96 19.101 -0.000 -33.404 1.00 21.13 H new ATOM 0 HD2 LYS A 96 19.532 2.397 -33.857 1.00 22.15 H new ATOM 0 HD3 LYS A 96 17.832 2.759 -33.631 1.00 22.15 H new ATOM 0 HE2 LYS A 96 18.887 3.316 -31.570 1.00 22.03 H new ATOM 0 HE3 LYS A 96 18.035 1.813 -31.275 1.00 22.03 H new ATOM 0 HZ1 LYS A 96 20.332 1.886 -30.387 1.00 64.11 H new ATOM 0 HZ2 LYS A 96 20.057 0.588 -31.447 1.00 64.11 H new ATOM 0 HZ3 LYS A 96 20.921 1.950 -31.979 1.00 64.11 H new ATOM 1084 N PRO A 97 15.765 -0.244 -37.288 1.00 44.24 N ATOM 1085 CA PRO A 97 15.206 -0.150 -38.637 1.00 44.14 C ATOM 1086 C PRO A 97 15.734 1.056 -39.416 1.00 64.11 C ATOM 1087 O PRO A 97 14.978 1.728 -40.123 1.00 4.51 O ATOM 1088 CB PRO A 97 13.695 0.001 -38.393 1.00 3.34 C ATOM 1089 CG PRO A 97 13.501 0.009 -36.908 1.00 21.01 C ATOM 1090 CD PRO A 97 14.839 0.313 -36.299 1.00 61.24 C ATOM 0 HA PRO A 97 15.475 -1.017 -39.240 1.00 44.14 H new ATOM 0 HB2 PRO A 97 13.321 0.923 -38.838 1.00 3.34 H new ATOM 0 HB3 PRO A 97 13.144 -0.820 -38.851 1.00 3.34 H new ATOM 0 HG2 PRO A 97 12.765 0.759 -36.618 1.00 21.01 H new ATOM 0 HG3 PRO A 97 13.128 -0.955 -36.561 1.00 21.01 H new ATOM 0 HD2 PRO A 97 14.989 1.384 -36.159 1.00 61.24 H new ATOM 0 HD3 PRO A 97 14.957 -0.155 -35.322 1.00 61.24 H new ATOM 1098 N LEU A 98 17.029 1.323 -39.296 1.00 34.02 N ATOM 1099 CA LEU A 98 17.638 2.437 -40.010 1.00 62.20 C ATOM 1100 C LEU A 98 18.286 1.951 -41.306 1.00 32.04 C ATOM 1101 O LEU A 98 19.031 0.966 -41.323 1.00 52.21 O ATOM 1102 CB LEU A 98 18.626 3.238 -39.112 1.00 71.32 C ATOM 1103 CG LEU A 98 19.986 2.607 -38.716 1.00 32.35 C ATOM 1104 CD1 LEU A 98 19.854 1.164 -38.255 1.00 71.31 C ATOM 1105 CD2 LEU A 98 21.008 2.733 -39.840 1.00 74.31 C ATOM 0 H LEU A 98 17.674 0.787 -38.715 1.00 34.02 H new ATOM 0 HA LEU A 98 16.848 3.138 -40.280 1.00 62.20 H new ATOM 0 HB2 LEU A 98 18.839 4.179 -39.620 1.00 71.32 H new ATOM 0 HB3 LEU A 98 18.101 3.486 -38.190 1.00 71.32 H new ATOM 0 HG LEU A 98 20.350 3.177 -37.861 1.00 32.35 H new ATOM 0 HD11 LEU A 98 20.837 0.775 -37.991 1.00 71.31 H new ATOM 0 HD12 LEU A 98 19.200 1.119 -37.384 1.00 71.31 H new ATOM 0 HD13 LEU A 98 19.430 0.563 -39.059 1.00 71.31 H new ATOM 0 HD21 LEU A 98 21.949 2.280 -39.528 1.00 74.31 H new ATOM 0 HD22 LEU A 98 20.637 2.222 -40.728 1.00 74.31 H new ATOM 0 HD23 LEU A 98 21.170 3.786 -40.068 1.00 74.31 H new ATOM 1117 N ASP A 99 17.975 2.633 -42.394 1.00 13.04 N ATOM 1118 CA ASP A 99 18.442 2.239 -43.717 1.00 53.12 C ATOM 1119 C ASP A 99 19.743 2.944 -44.083 1.00 10.34 C ATOM 1120 O ASP A 99 19.755 3.895 -44.860 1.00 13.11 O ATOM 1121 CB ASP A 99 17.359 2.519 -44.772 1.00 22.03 C ATOM 1122 CG ASP A 99 16.684 3.870 -44.586 1.00 74.14 C ATOM 1123 OD1 ASP A 99 15.938 4.036 -43.596 1.00 3.12 O ATOM 1124 OD2 ASP A 99 16.891 4.771 -45.420 1.00 13.15 O ATOM 0 H ASP A 99 17.395 3.472 -42.389 1.00 13.04 H new ATOM 0 HA ASP A 99 18.643 1.168 -43.695 1.00 53.12 H new ATOM 0 HB2 ASP A 99 17.807 2.476 -45.765 1.00 22.03 H new ATOM 0 HB3 ASP A 99 16.605 1.733 -44.728 1.00 22.03 H new ATOM 1129 N LEU A 100 20.839 2.468 -43.500 1.00 23.41 N ATOM 1130 CA LEU A 100 22.170 3.010 -43.790 1.00 10.32 C ATOM 1131 C LEU A 100 23.269 1.951 -43.651 1.00 41.43 C ATOM 1132 O LEU A 100 24.362 2.129 -44.182 1.00 5.53 O ATOM 1133 CB LEU A 100 22.495 4.172 -42.844 1.00 22.13 C ATOM 1134 CG LEU A 100 21.703 5.459 -43.075 1.00 1.34 C ATOM 1135 CD1 LEU A 100 21.952 6.436 -41.939 1.00 75.53 C ATOM 1136 CD2 LEU A 100 22.085 6.091 -44.406 1.00 43.44 C ATOM 0 H LEU A 100 20.835 1.706 -42.822 1.00 23.41 H new ATOM 0 HA LEU A 100 22.146 3.356 -44.823 1.00 10.32 H new ATOM 0 HB2 LEU A 100 22.323 3.841 -41.820 1.00 22.13 H new ATOM 0 HB3 LEU A 100 23.557 4.401 -42.931 1.00 22.13 H new ATOM 0 HG LEU A 100 20.642 5.213 -43.103 1.00 1.34 H new ATOM 0 HD11 LEU A 100 21.383 7.349 -42.113 1.00 75.53 H new ATOM 0 HD12 LEU A 100 21.637 5.987 -40.997 1.00 75.53 H new ATOM 0 HD13 LEU A 100 23.015 6.674 -41.890 1.00 75.53 H new ATOM 0 HD21 LEU A 100 21.511 7.006 -44.553 1.00 43.44 H new ATOM 0 HD22 LEU A 100 23.149 6.327 -44.405 1.00 43.44 H new ATOM 0 HD23 LEU A 100 21.869 5.394 -45.215 1.00 43.44 H new ATOM 1148 N GLY A 101 22.961 0.844 -42.973 1.00 72.14 N ATOM 1149 CA GLY A 101 23.986 -0.101 -42.534 1.00 42.43 C ATOM 1150 C GLY A 101 24.943 -0.561 -43.624 1.00 41.50 C ATOM 1151 O GLY A 101 26.159 -0.517 -43.443 1.00 11.52 O ATOM 0 H GLY A 101 22.009 0.581 -42.717 1.00 72.14 H new ATOM 0 HA2 GLY A 101 24.565 0.359 -41.733 1.00 42.43 H new ATOM 0 HA3 GLY A 101 23.494 -0.976 -42.109 1.00 42.43 H new ATOM 1155 N PHE A 102 24.412 -1.015 -44.746 1.00 13.01 N ATOM 1156 CA PHE A 102 25.256 -1.517 -45.826 1.00 62.13 C ATOM 1157 C PHE A 102 25.369 -0.485 -46.949 1.00 50.31 C ATOM 1158 O PHE A 102 25.903 -0.762 -48.020 1.00 72.41 O ATOM 1159 CB PHE A 102 24.692 -2.844 -46.352 1.00 61.32 C ATOM 1160 CG PHE A 102 25.656 -3.626 -47.206 1.00 61.43 C ATOM 1161 CD1 PHE A 102 26.876 -4.038 -46.694 1.00 22.22 C ATOM 1162 CD2 PHE A 102 25.342 -3.949 -48.517 1.00 41.33 C ATOM 1163 CE1 PHE A 102 27.765 -4.754 -47.473 1.00 40.05 C ATOM 1164 CE2 PHE A 102 26.228 -4.665 -49.301 1.00 12.31 C ATOM 1165 CZ PHE A 102 27.441 -5.069 -48.778 1.00 54.34 C ATOM 0 H PHE A 102 23.410 -1.048 -44.936 1.00 13.01 H new ATOM 0 HA PHE A 102 26.259 -1.694 -45.438 1.00 62.13 H new ATOM 0 HB2 PHE A 102 24.392 -3.460 -45.505 1.00 61.32 H new ATOM 0 HB3 PHE A 102 23.792 -2.640 -46.932 1.00 61.32 H new ATOM 0 HD1 PHE A 102 27.135 -3.797 -45.674 1.00 22.22 H new ATOM 0 HD2 PHE A 102 24.394 -3.638 -48.931 1.00 41.33 H new ATOM 0 HE1 PHE A 102 28.713 -5.067 -47.061 1.00 40.05 H new ATOM 0 HE2 PHE A 102 25.972 -4.908 -50.322 1.00 12.31 H new ATOM 0 HZ PHE A 102 28.134 -5.630 -49.388 1.00 54.34 H new ATOM 1175 N CYS A 103 24.879 0.717 -46.692 1.00 21.24 N ATOM 1176 CA CYS A 103 24.819 1.739 -47.728 1.00 60.32 C ATOM 1177 C CYS A 103 25.737 2.920 -47.409 1.00 20.34 C ATOM 1178 O CYS A 103 25.935 3.806 -48.246 1.00 43.34 O ATOM 1179 CB CYS A 103 23.373 2.206 -47.920 1.00 71.22 C ATOM 1180 SG CYS A 103 22.223 0.851 -48.343 1.00 44.00 S ATOM 0 H CYS A 103 24.519 1.009 -45.783 1.00 21.24 H new ATOM 0 HA CYS A 103 25.174 1.299 -48.660 1.00 60.32 H new ATOM 0 HB2 CYS A 103 23.031 2.691 -47.005 1.00 71.22 H new ATOM 0 HB3 CYS A 103 23.343 2.957 -48.709 1.00 71.22 H new ATOM 1185 N THR A 104 26.309 2.921 -46.207 1.00 22.20 N ATOM 1186 CA THR A 104 27.187 4.002 -45.768 1.00 74.34 C ATOM 1187 C THR A 104 28.467 4.053 -46.594 1.00 10.53 C ATOM 1188 O THR A 104 28.817 5.090 -47.158 1.00 24.21 O ATOM 1189 CB THR A 104 27.557 3.836 -44.283 1.00 40.33 C ATOM 1190 OG1 THR A 104 27.780 2.449 -43.990 1.00 45.11 O ATOM 1191 CG2 THR A 104 26.465 4.391 -43.379 1.00 73.12 C ATOM 0 H THR A 104 26.179 2.181 -45.517 1.00 22.20 H new ATOM 0 HA THR A 104 26.639 4.934 -45.908 1.00 74.34 H new ATOM 0 HB THR A 104 28.471 4.399 -44.093 1.00 40.33 H new ATOM 0 HG1 THR A 104 26.944 2.042 -43.679 1.00 45.11 H new ATOM 0 HG21 THR A 104 26.754 4.260 -42.336 1.00 73.12 H new ATOM 0 HG22 THR A 104 26.326 5.452 -43.586 1.00 73.12 H new ATOM 0 HG23 THR A 104 25.532 3.859 -43.566 1.00 73.12 H new ATOM 1199 N LEU A 105 29.144 2.916 -46.670 1.00 42.13 N ATOM 1200 CA LEU A 105 30.413 2.799 -47.382 1.00 2.33 C ATOM 1201 C LEU A 105 30.253 3.043 -48.887 1.00 62.23 C ATOM 1202 O LEU A 105 31.226 3.338 -49.583 1.00 12.55 O ATOM 1203 CB LEU A 105 31.073 1.423 -47.094 1.00 74.54 C ATOM 1204 CG LEU A 105 30.365 0.131 -47.589 1.00 32.24 C ATOM 1205 CD1 LEU A 105 28.893 0.076 -47.208 1.00 61.42 C ATOM 1206 CD2 LEU A 105 30.541 -0.055 -49.089 1.00 30.20 C ATOM 0 H LEU A 105 28.830 2.046 -46.240 1.00 42.13 H new ATOM 0 HA LEU A 105 31.076 3.580 -47.009 1.00 2.33 H new ATOM 0 HB2 LEU A 105 32.072 1.439 -47.530 1.00 74.54 H new ATOM 0 HB3 LEU A 105 31.198 1.337 -46.015 1.00 74.54 H new ATOM 0 HG LEU A 105 30.853 -0.698 -47.076 1.00 32.24 H new ATOM 0 HD11 LEU A 105 28.455 -0.849 -47.582 1.00 61.42 H new ATOM 0 HD12 LEU A 105 28.796 0.111 -46.123 1.00 61.42 H new ATOM 0 HD13 LEU A 105 28.372 0.927 -47.646 1.00 61.42 H new ATOM 0 HD21 LEU A 105 30.035 -0.967 -49.404 1.00 30.20 H new ATOM 0 HD22 LEU A 105 30.112 0.798 -49.614 1.00 30.20 H new ATOM 0 HD23 LEU A 105 31.603 -0.130 -49.324 1.00 30.20 H new ATOM 1218 N ALA A 106 29.026 2.938 -49.379 1.00 34.14 N ATOM 1219 CA ALA A 106 28.758 3.085 -50.801 1.00 63.12 C ATOM 1220 C ALA A 106 28.705 4.557 -51.206 1.00 55.50 C ATOM 1221 O ALA A 106 29.635 5.073 -51.826 1.00 70.05 O ATOM 1222 CB ALA A 106 27.461 2.379 -51.170 1.00 4.31 C ATOM 0 H ALA A 106 28.199 2.751 -48.812 1.00 34.14 H new ATOM 0 HA ALA A 106 29.577 2.620 -51.349 1.00 63.12 H new ATOM 0 HB1 ALA A 106 27.273 2.497 -52.237 1.00 4.31 H new ATOM 0 HB2 ALA A 106 27.543 1.319 -50.931 1.00 4.31 H new ATOM 0 HB3 ALA A 106 26.636 2.815 -50.606 1.00 4.31 H new ATOM 1228 N GLY A 107 27.632 5.233 -50.828 1.00 3.41 N ATOM 1229 CA GLY A 107 27.454 6.615 -51.224 1.00 42.13 C ATOM 1230 C GLY A 107 26.127 6.843 -51.912 1.00 72.41 C ATOM 1231 O GLY A 107 25.085 6.854 -51.263 1.00 51.42 O ATOM 0 H GLY A 107 26.881 4.850 -50.254 1.00 3.41 H new ATOM 0 HA2 GLY A 107 27.520 7.255 -50.344 1.00 42.13 H new ATOM 0 HA3 GLY A 107 28.264 6.907 -51.893 1.00 42.13 H new ATOM 1235 N ILE A 108 26.158 6.995 -53.232 1.00 64.41 N ATOM 1236 CA ILE A 108 24.947 7.258 -54.006 1.00 24.24 C ATOM 1237 C ILE A 108 23.996 6.059 -53.969 1.00 4.43 C ATOM 1238 O ILE A 108 22.777 6.219 -54.052 1.00 64.11 O ATOM 1239 CB ILE A 108 25.271 7.637 -55.476 1.00 5.13 C ATOM 1240 CG1 ILE A 108 23.994 8.052 -56.217 1.00 13.11 C ATOM 1241 CG2 ILE A 108 25.956 6.486 -56.201 1.00 13.41 C ATOM 1242 CD1 ILE A 108 24.232 8.488 -57.649 1.00 60.52 C ATOM 0 H ILE A 108 27.010 6.941 -53.790 1.00 64.41 H new ATOM 0 HA ILE A 108 24.453 8.111 -53.540 1.00 24.24 H new ATOM 0 HB ILE A 108 25.958 8.483 -55.462 1.00 5.13 H new ATOM 0 HG12 ILE A 108 23.295 7.216 -56.213 1.00 13.11 H new ATOM 0 HG13 ILE A 108 23.518 8.868 -55.673 1.00 13.11 H new ATOM 0 HG21 ILE A 108 26.171 6.780 -57.228 1.00 13.41 H new ATOM 0 HG22 ILE A 108 26.887 6.238 -55.692 1.00 13.41 H new ATOM 0 HG23 ILE A 108 25.300 5.615 -56.202 1.00 13.41 H new ATOM 0 HD11 ILE A 108 23.283 8.766 -58.107 1.00 60.52 H new ATOM 0 HD12 ILE A 108 24.906 9.345 -57.661 1.00 60.52 H new ATOM 0 HD13 ILE A 108 24.679 7.667 -58.210 1.00 60.52 H new ATOM 1254 N ARG A 109 24.556 4.858 -53.818 1.00 75.44 N ATOM 1255 CA ARG A 109 23.754 3.633 -53.778 1.00 4.33 C ATOM 1256 C ARG A 109 22.772 3.652 -52.608 1.00 25.11 C ATOM 1257 O ARG A 109 21.786 2.920 -52.613 1.00 34.43 O ATOM 1258 CB ARG A 109 24.648 2.397 -53.672 1.00 61.21 C ATOM 1259 CG ARG A 109 25.664 2.271 -54.794 1.00 51.11 C ATOM 1260 CD ARG A 109 25.011 2.376 -56.164 1.00 23.35 C ATOM 1261 NE ARG A 109 25.983 2.186 -57.239 1.00 4.12 N ATOM 1262 CZ ARG A 109 26.096 2.980 -58.301 1.00 34.55 C ATOM 1263 NH1 ARG A 109 25.277 4.015 -58.457 1.00 61.13 N ATOM 1264 NH2 ARG A 109 27.023 2.733 -59.218 1.00 15.23 N ATOM 0 H ARG A 109 25.560 4.707 -53.721 1.00 75.44 H new ATOM 0 HA ARG A 109 23.190 3.586 -54.709 1.00 4.33 H new ATOM 0 HB2 ARG A 109 25.176 2.424 -52.719 1.00 61.21 H new ATOM 0 HB3 ARG A 109 24.020 1.506 -53.663 1.00 61.21 H new ATOM 0 HG2 ARG A 109 26.418 3.051 -54.690 1.00 51.11 H new ATOM 0 HG3 ARG A 109 26.181 1.315 -54.710 1.00 51.11 H new ATOM 0 HD2 ARG A 109 24.222 1.629 -56.250 1.00 23.35 H new ATOM 0 HD3 ARG A 109 24.538 3.353 -56.269 1.00 23.35 H new ATOM 0 HE ARG A 109 26.618 1.391 -57.171 1.00 4.12 H new ATOM 0 HH11 ARG A 109 24.556 4.205 -57.760 1.00 61.13 H new ATOM 0 HH12 ARG A 109 25.369 4.620 -59.273 1.00 61.13 H new ATOM 0 HH21 ARG A 109 27.649 1.935 -59.109 1.00 15.23 H new ATOM 0 HH22 ARG A 109 27.110 3.341 -60.032 1.00 15.23 H new ATOM 1278 N GLU A 110 23.055 4.506 -51.624 1.00 60.22 N ATOM 1279 CA GLU A 110 22.218 4.665 -50.433 1.00 53.32 C ATOM 1280 C GLU A 110 20.759 4.930 -50.805 1.00 0.45 C ATOM 1281 O GLU A 110 19.834 4.434 -50.159 1.00 71.23 O ATOM 1282 CB GLU A 110 22.755 5.831 -49.606 1.00 12.12 C ATOM 1283 CG GLU A 110 21.915 6.184 -48.393 1.00 40.22 C ATOM 1284 CD GLU A 110 22.195 7.588 -47.901 1.00 73.21 C ATOM 1285 OE1 GLU A 110 23.295 7.826 -47.363 1.00 53.34 O ATOM 1286 OE2 GLU A 110 21.331 8.468 -48.081 1.00 10.42 O ATOM 0 H GLU A 110 23.876 5.111 -51.630 1.00 60.22 H new ATOM 0 HA GLU A 110 22.253 3.740 -49.858 1.00 53.32 H new ATOM 0 HB2 GLU A 110 23.765 5.590 -49.275 1.00 12.12 H new ATOM 0 HB3 GLU A 110 22.831 6.709 -50.247 1.00 12.12 H new ATOM 0 HG2 GLU A 110 20.858 6.091 -48.644 1.00 40.22 H new ATOM 0 HG3 GLU A 110 22.116 5.472 -47.593 1.00 40.22 H new ATOM 1293 N VAL A 111 20.571 5.715 -51.853 1.00 43.40 N ATOM 1294 CA VAL A 111 19.238 6.083 -52.296 1.00 13.32 C ATOM 1295 C VAL A 111 18.470 4.854 -52.773 1.00 64.21 C ATOM 1296 O VAL A 111 17.331 4.631 -52.370 1.00 35.12 O ATOM 1297 CB VAL A 111 19.293 7.127 -53.430 1.00 63.21 C ATOM 1298 CG1 VAL A 111 17.892 7.540 -53.863 1.00 50.04 C ATOM 1299 CG2 VAL A 111 20.098 8.343 -52.993 1.00 21.34 C ATOM 0 H VAL A 111 21.327 6.110 -52.413 1.00 43.40 H new ATOM 0 HA VAL A 111 18.721 6.522 -51.443 1.00 13.32 H new ATOM 0 HB VAL A 111 19.788 6.671 -54.287 1.00 63.21 H new ATOM 0 HG11 VAL A 111 17.961 8.277 -54.663 1.00 50.04 H new ATOM 0 HG12 VAL A 111 17.349 6.665 -54.221 1.00 50.04 H new ATOM 0 HG13 VAL A 111 17.362 7.974 -53.015 1.00 50.04 H new ATOM 0 HG21 VAL A 111 20.128 9.070 -53.804 1.00 21.34 H new ATOM 0 HG22 VAL A 111 19.630 8.794 -52.118 1.00 21.34 H new ATOM 0 HG23 VAL A 111 21.114 8.036 -52.744 1.00 21.34 H new ATOM 1309 N ASP A 112 19.112 4.054 -53.614 1.00 63.21 N ATOM 1310 CA ASP A 112 18.458 2.904 -54.237 1.00 65.40 C ATOM 1311 C ASP A 112 18.304 1.737 -53.262 1.00 24.43 C ATOM 1312 O ASP A 112 17.218 1.168 -53.138 1.00 2.25 O ATOM 1313 CB ASP A 112 19.244 2.457 -55.475 1.00 54.35 C ATOM 1314 CG ASP A 112 18.411 1.615 -56.432 1.00 74.53 C ATOM 1315 OD1 ASP A 112 17.649 2.202 -57.233 1.00 1.04 O ATOM 1316 OD2 ASP A 112 18.534 0.373 -56.411 1.00 61.54 O ATOM 0 H ASP A 112 20.088 4.178 -53.883 1.00 63.21 H new ATOM 0 HA ASP A 112 17.457 3.217 -54.536 1.00 65.40 H new ATOM 0 HB2 ASP A 112 19.615 3.337 -56.001 1.00 54.35 H new ATOM 0 HB3 ASP A 112 20.116 1.884 -55.159 1.00 54.35 H new ATOM 1321 N CYS A 113 19.393 1.408 -52.561 1.00 5.22 N ATOM 1322 CA CYS A 113 19.460 0.217 -51.695 1.00 25.44 C ATOM 1323 C CYS A 113 18.319 0.110 -50.683 1.00 34.22 C ATOM 1324 O CYS A 113 17.914 -0.993 -50.321 1.00 1.04 O ATOM 1325 CB CYS A 113 20.799 0.178 -50.951 1.00 31.14 C ATOM 1326 SG CYS A 113 21.099 1.610 -49.855 1.00 40.12 S ATOM 0 H CYS A 113 20.254 1.955 -52.575 1.00 5.22 H new ATOM 0 HA CYS A 113 19.362 -0.637 -52.366 1.00 25.44 H new ATOM 0 HB2 CYS A 113 20.843 -0.734 -50.356 1.00 31.14 H new ATOM 0 HB3 CYS A 113 21.605 0.121 -51.682 1.00 31.14 H new ATOM 1331 N ARG A 114 17.791 1.228 -50.217 1.00 43.45 N ATOM 1332 CA ARG A 114 16.724 1.174 -49.224 1.00 51.03 C ATOM 1333 C ARG A 114 15.426 0.644 -49.842 1.00 3.10 C ATOM 1334 O ARG A 114 14.618 0.010 -49.161 1.00 15.13 O ATOM 1335 CB ARG A 114 16.514 2.534 -48.548 1.00 2.43 C ATOM 1336 CG ARG A 114 16.200 3.678 -49.491 1.00 72.05 C ATOM 1337 CD ARG A 114 16.134 4.994 -48.735 1.00 2.30 C ATOM 1338 NE ARG A 114 15.810 6.120 -49.604 1.00 70.15 N ATOM 1339 CZ ARG A 114 16.476 7.270 -49.611 1.00 31.32 C ATOM 1340 NH1 ARG A 114 17.543 7.439 -48.835 1.00 63.32 N ATOM 1341 NH2 ARG A 114 16.076 8.254 -50.405 1.00 11.15 N ATOM 0 H ARG A 114 18.073 2.167 -50.500 1.00 43.45 H new ATOM 0 HA ARG A 114 17.030 0.475 -48.446 1.00 51.03 H new ATOM 0 HB2 ARG A 114 15.700 2.443 -47.828 1.00 2.43 H new ATOM 0 HB3 ARG A 114 17.412 2.785 -47.984 1.00 2.43 H new ATOM 0 HG2 ARG A 114 16.963 3.736 -50.267 1.00 72.05 H new ATOM 0 HG3 ARG A 114 15.250 3.493 -49.992 1.00 72.05 H new ATOM 0 HD2 ARG A 114 15.385 4.920 -47.947 1.00 2.30 H new ATOM 0 HD3 ARG A 114 17.092 5.178 -48.248 1.00 2.30 H new ATOM 0 HE ARG A 114 15.024 6.018 -50.246 1.00 70.15 H new ATOM 0 HH11 ARG A 114 17.857 6.682 -48.227 1.00 63.32 H new ATOM 0 HH12 ARG A 114 18.047 8.325 -48.848 1.00 63.32 H new ATOM 0 HH21 ARG A 114 15.262 8.126 -51.006 1.00 11.15 H new ATOM 0 HH22 ARG A 114 16.583 9.139 -50.415 1.00 11.15 H new ATOM 1355 N LYS A 115 15.235 0.899 -51.133 1.00 14.42 N ATOM 1356 CA LYS A 115 14.048 0.413 -51.833 1.00 34.25 C ATOM 1357 C LYS A 115 14.167 -1.074 -52.182 1.00 65.03 C ATOM 1358 O LYS A 115 13.287 -1.870 -51.855 1.00 50.43 O ATOM 1359 CB LYS A 115 13.761 1.215 -53.112 1.00 50.22 C ATOM 1360 CG LYS A 115 13.238 2.625 -52.869 1.00 1.52 C ATOM 1361 CD LYS A 115 14.366 3.641 -52.788 1.00 41.22 C ATOM 1362 CE LYS A 115 15.073 3.799 -54.129 1.00 2.44 C ATOM 1363 NZ LYS A 115 14.240 4.527 -55.121 1.00 31.10 N ATOM 0 H LYS A 115 15.881 1.435 -51.713 1.00 14.42 H new ATOM 0 HA LYS A 115 13.214 0.551 -51.144 1.00 34.25 H new ATOM 0 HB2 LYS A 115 14.677 1.277 -53.700 1.00 50.22 H new ATOM 0 HB3 LYS A 115 13.033 0.669 -53.712 1.00 50.22 H new ATOM 0 HG2 LYS A 115 12.556 2.903 -53.673 1.00 1.52 H new ATOM 0 HG3 LYS A 115 12.664 2.645 -51.943 1.00 1.52 H new ATOM 0 HD2 LYS A 115 13.967 4.604 -52.470 1.00 41.22 H new ATOM 0 HD3 LYS A 115 15.085 3.328 -52.031 1.00 41.22 H new ATOM 0 HE2 LYS A 115 16.011 4.334 -53.982 1.00 2.44 H new ATOM 0 HE3 LYS A 115 15.326 2.815 -54.522 1.00 2.44 H new ATOM 0 HZ1 LYS A 115 14.792 4.685 -55.988 1.00 31.10 H new ATOM 0 HZ2 LYS A 115 13.396 3.963 -55.346 1.00 31.10 H new ATOM 0 HZ3 LYS A 115 13.949 5.443 -54.724 1.00 31.10 H new ATOM 1377 N ASP A 116 15.264 -1.441 -52.840 1.00 42.04 N ATOM 1378 CA ASP A 116 15.380 -2.768 -53.448 1.00 30.52 C ATOM 1379 C ASP A 116 15.739 -3.858 -52.434 1.00 14.43 C ATOM 1380 O ASP A 116 15.255 -4.986 -52.540 1.00 21.54 O ATOM 1381 CB ASP A 116 16.359 -2.767 -54.636 1.00 44.44 C ATOM 1382 CG ASP A 116 17.791 -2.400 -54.281 1.00 11.42 C ATOM 1383 OD1 ASP A 116 18.035 -1.939 -53.153 1.00 31.05 O ATOM 1384 OD2 ASP A 116 18.673 -2.564 -55.156 1.00 63.53 O ATOM 0 H ASP A 116 16.081 -0.844 -52.967 1.00 42.04 H new ATOM 0 HA ASP A 116 14.389 -3.012 -53.831 1.00 30.52 H new ATOM 0 HB2 ASP A 116 16.355 -3.757 -55.093 1.00 44.44 H new ATOM 0 HB3 ASP A 116 15.995 -2.067 -55.388 1.00 44.44 H new ATOM 1389 N ALA A 117 16.568 -3.528 -51.448 1.00 25.32 N ATOM 1390 CA ALA A 117 16.986 -4.504 -50.438 1.00 52.23 C ATOM 1391 C ALA A 117 15.799 -5.046 -49.646 1.00 23.20 C ATOM 1392 O ALA A 117 15.824 -6.185 -49.178 1.00 12.34 O ATOM 1393 CB ALA A 117 18.005 -3.892 -49.491 1.00 22.13 C ATOM 0 H ALA A 117 16.964 -2.596 -51.324 1.00 25.32 H new ATOM 0 HA ALA A 117 17.445 -5.339 -50.968 1.00 52.23 H new ATOM 0 HB1 ALA A 117 18.303 -4.633 -48.749 1.00 22.13 H new ATOM 0 HB2 ALA A 117 18.881 -3.572 -50.056 1.00 22.13 H new ATOM 0 HB3 ALA A 117 17.564 -3.032 -48.988 1.00 22.13 H new ATOM 1399 N GLN A 118 14.763 -4.229 -49.483 1.00 23.23 N ATOM 1400 CA GLN A 118 13.565 -4.640 -48.752 1.00 11.44 C ATOM 1401 C GLN A 118 12.864 -5.843 -49.403 1.00 64.21 C ATOM 1402 O GLN A 118 11.998 -6.466 -48.789 1.00 1.23 O ATOM 1403 CB GLN A 118 12.592 -3.467 -48.659 1.00 33.14 C ATOM 1404 CG GLN A 118 11.532 -3.634 -47.583 1.00 61.12 C ATOM 1405 CD GLN A 118 10.438 -2.589 -47.663 1.00 32.45 C ATOM 1406 OE1 GLN A 118 10.081 -2.190 -48.873 1.00 4.32 O flip ATOM 1407 NE2 GLN A 118 9.897 -2.164 -46.643 1.00 50.44 N flip ATOM 0 H GLN A 118 14.727 -3.277 -49.847 1.00 23.23 H new ATOM 0 HA GLN A 118 13.882 -4.948 -47.756 1.00 11.44 H new ATOM 0 HB2 GLN A 118 13.155 -2.555 -48.463 1.00 33.14 H new ATOM 0 HB3 GLN A 118 12.101 -3.337 -49.623 1.00 33.14 H new ATOM 0 HG2 GLN A 118 11.087 -4.625 -47.670 1.00 61.12 H new ATOM 0 HG3 GLN A 118 12.006 -3.582 -46.603 1.00 61.12 H new ATOM 0 HE21 GLN A 118 10.201 -2.497 -45.728 1.00 50.44 H new ATOM 0 HE22 GLN A 118 9.144 -1.479 -46.712 1.00 50.44 H new ATOM 1416 N THR A 119 13.239 -6.172 -50.638 1.00 63.22 N ATOM 1417 CA THR A 119 12.659 -7.320 -51.337 1.00 23.12 C ATOM 1418 C THR A 119 13.093 -8.631 -50.664 1.00 64.02 C ATOM 1419 O THR A 119 12.485 -9.686 -50.856 1.00 1.33 O ATOM 1420 CB THR A 119 13.085 -7.330 -52.821 1.00 72.54 C ATOM 1421 OG1 THR A 119 12.945 -6.015 -53.372 1.00 62.30 O ATOM 1422 CG2 THR A 119 12.244 -8.305 -53.631 1.00 4.13 C ATOM 0 H THR A 119 13.940 -5.662 -51.175 1.00 63.22 H new ATOM 0 HA THR A 119 11.574 -7.234 -51.285 1.00 23.12 H new ATOM 0 HB THR A 119 14.126 -7.649 -52.871 1.00 72.54 H new ATOM 0 HG1 THR A 119 13.737 -5.482 -53.151 1.00 62.30 H new ATOM 0 HG21 THR A 119 12.569 -8.288 -54.671 1.00 4.13 H new ATOM 0 HG22 THR A 119 12.365 -9.311 -53.229 1.00 4.13 H new ATOM 0 HG23 THR A 119 11.195 -8.015 -53.574 1.00 4.13 H new ATOM 1430 N CYS A 120 14.155 -8.534 -49.873 1.00 42.34 N ATOM 1431 CA CYS A 120 14.664 -9.638 -49.055 1.00 54.05 C ATOM 1432 C CYS A 120 13.714 -9.963 -47.891 1.00 10.14 C ATOM 1433 O CYS A 120 14.164 -10.119 -46.756 1.00 25.04 O ATOM 1434 CB CYS A 120 16.058 -9.289 -48.508 1.00 51.51 C ATOM 1435 SG CYS A 120 17.448 -9.577 -49.666 1.00 55.23 S ATOM 0 H CYS A 120 14.697 -7.675 -49.778 1.00 42.34 H new ATOM 0 HA CYS A 120 14.731 -10.520 -49.691 1.00 54.05 H new ATOM 0 HB2 CYS A 120 16.063 -8.239 -48.215 1.00 51.51 H new ATOM 0 HB3 CYS A 120 16.232 -9.873 -47.604 1.00 51.51 H new ATOM 1440 N ASP A 121 12.407 -10.055 -48.188 1.00 44.34 N ATOM 1441 CA ASP A 121 11.356 -10.161 -47.159 1.00 1.25 C ATOM 1442 C ASP A 121 11.716 -11.187 -46.077 1.00 21.11 C ATOM 1443 O ASP A 121 11.883 -10.817 -44.917 1.00 23.44 O ATOM 1444 CB ASP A 121 10.040 -10.550 -47.861 1.00 41.34 C ATOM 1445 CG ASP A 121 8.833 -10.639 -46.942 1.00 14.51 C ATOM 1446 OD1 ASP A 121 8.330 -9.589 -46.499 1.00 14.35 O ATOM 1447 OD2 ASP A 121 8.346 -11.759 -46.707 1.00 11.31 O ATOM 0 H ASP A 121 12.049 -10.058 -49.143 1.00 44.34 H new ATOM 0 HA ASP A 121 11.250 -9.201 -46.653 1.00 1.25 H new ATOM 0 HB2 ASP A 121 9.831 -9.820 -48.643 1.00 41.34 H new ATOM 0 HB3 ASP A 121 10.177 -11.513 -48.353 1.00 41.34 H new ATOM 1452 N LYS A 122 11.834 -12.465 -46.432 1.00 23.14 N ATOM 1453 CA LYS A 122 12.608 -13.400 -45.614 1.00 2.23 C ATOM 1454 C LYS A 122 13.552 -14.227 -46.479 1.00 34.13 C ATOM 1455 O LYS A 122 14.771 -14.057 -46.464 1.00 14.42 O ATOM 1456 CB LYS A 122 11.723 -14.364 -44.806 1.00 24.33 C ATOM 1457 CG LYS A 122 10.722 -13.700 -43.879 1.00 30.05 C ATOM 1458 CD LYS A 122 9.383 -13.537 -44.565 1.00 44.12 C ATOM 1459 CE LYS A 122 8.389 -12.778 -43.708 1.00 13.15 C ATOM 1460 NZ LYS A 122 7.095 -12.624 -44.416 1.00 53.34 N ATOM 0 H LYS A 122 11.412 -12.873 -47.266 1.00 23.14 H new ATOM 0 HA LYS A 122 13.172 -12.783 -44.915 1.00 2.23 H new ATOM 0 HB2 LYS A 122 11.180 -15.003 -45.502 1.00 24.33 H new ATOM 0 HB3 LYS A 122 12.368 -15.013 -44.213 1.00 24.33 H new ATOM 0 HG2 LYS A 122 10.603 -14.298 -42.976 1.00 30.05 H new ATOM 0 HG3 LYS A 122 11.098 -12.725 -43.568 1.00 30.05 H new ATOM 0 HD2 LYS A 122 9.522 -13.011 -45.509 1.00 44.12 H new ATOM 0 HD3 LYS A 122 8.977 -14.520 -44.805 1.00 44.12 H new ATOM 0 HE2 LYS A 122 8.234 -13.307 -42.768 1.00 13.15 H new ATOM 0 HE3 LYS A 122 8.792 -11.796 -43.459 1.00 13.15 H new ATOM 0 HZ1 LYS A 122 6.470 -12.002 -43.865 1.00 53.34 H new ATOM 0 HZ2 LYS A 122 7.260 -12.206 -45.354 1.00 53.34 H new ATOM 0 HZ3 LYS A 122 6.647 -13.556 -44.527 1.00 53.34 H new ATOM 1474 N LYS A 123 12.932 -15.111 -47.262 1.00 64.04 N ATOM 1475 CA LYS A 123 13.658 -16.131 -48.018 1.00 62.40 C ATOM 1476 C LYS A 123 13.266 -16.149 -49.492 1.00 24.14 C ATOM 1477 O LYS A 123 14.073 -15.841 -50.367 1.00 72.23 O ATOM 1478 CB LYS A 123 13.383 -17.514 -47.414 1.00 1.20 C ATOM 1479 CG LYS A 123 13.570 -17.586 -45.905 1.00 44.40 C ATOM 1480 CD LYS A 123 15.029 -17.463 -45.503 1.00 61.31 C ATOM 1481 CE LYS A 123 15.816 -18.708 -45.870 1.00 15.43 C ATOM 1482 NZ LYS A 123 17.224 -18.631 -45.408 1.00 73.42 N ATOM 0 H LYS A 123 11.920 -15.140 -47.389 1.00 64.04 H new ATOM 0 HA LYS A 123 14.718 -15.886 -47.955 1.00 62.40 H new ATOM 0 HB2 LYS A 123 12.361 -17.807 -47.656 1.00 1.20 H new ATOM 0 HB3 LYS A 123 14.044 -18.242 -47.886 1.00 1.20 H new ATOM 0 HG2 LYS A 123 12.996 -16.790 -45.431 1.00 44.40 H new ATOM 0 HG3 LYS A 123 13.171 -18.531 -45.536 1.00 44.40 H new ATOM 0 HD2 LYS A 123 15.470 -16.595 -45.993 1.00 61.31 H new ATOM 0 HD3 LYS A 123 15.098 -17.292 -44.429 1.00 61.31 H new ATOM 0 HE2 LYS A 123 15.337 -19.583 -45.430 1.00 15.43 H new ATOM 0 HE3 LYS A 123 15.796 -18.844 -46.951 1.00 15.43 H new ATOM 0 HZ1 LYS A 123 17.726 -19.501 -45.679 1.00 73.42 H new ATOM 0 HZ2 LYS A 123 17.689 -17.811 -45.848 1.00 73.42 H new ATOM 0 HZ3 LYS A 123 17.245 -18.527 -44.373 1.00 73.42 H new ATOM 1496 N TYR A 124 12.007 -16.498 -49.744 1.00 62.23 N ATOM 1497 CA TYR A 124 11.517 -16.807 -51.092 1.00 13.23 C ATOM 1498 C TYR A 124 11.696 -15.672 -52.103 1.00 22.05 C ATOM 1499 O TYR A 124 11.666 -15.911 -53.310 1.00 3.24 O ATOM 1500 CB TYR A 124 10.045 -17.227 -51.032 1.00 63.13 C ATOM 1501 CG TYR A 124 9.205 -16.432 -50.053 1.00 61.03 C ATOM 1502 CD1 TYR A 124 8.746 -15.156 -50.363 1.00 62.13 C ATOM 1503 CD2 TYR A 124 8.866 -16.966 -48.816 1.00 4.34 C ATOM 1504 CE1 TYR A 124 7.976 -14.438 -49.466 1.00 32.44 C ATOM 1505 CE2 TYR A 124 8.097 -16.256 -47.917 1.00 74.13 C ATOM 1506 CZ TYR A 124 7.654 -14.994 -48.245 1.00 21.41 C ATOM 1507 OH TYR A 124 6.883 -14.288 -47.351 1.00 22.40 O ATOM 0 H TYR A 124 11.293 -16.576 -49.020 1.00 62.23 H new ATOM 0 HA TYR A 124 12.135 -17.629 -51.453 1.00 13.23 H new ATOM 0 HB2 TYR A 124 9.611 -17.129 -52.027 1.00 63.13 H new ATOM 0 HB3 TYR A 124 9.992 -18.282 -50.764 1.00 63.13 H new ATOM 0 HD1 TYR A 124 8.995 -14.719 -51.319 1.00 62.13 H new ATOM 0 HD2 TYR A 124 9.211 -17.955 -48.553 1.00 4.34 H new ATOM 0 HE1 TYR A 124 7.629 -13.447 -49.720 1.00 32.44 H new ATOM 0 HE2 TYR A 124 7.844 -16.688 -46.960 1.00 74.13 H new ATOM 0 HH TYR A 124 7.336 -13.451 -47.118 1.00 22.40 H new ATOM 1517 N GLU A 125 11.881 -14.449 -51.633 1.00 34.44 N ATOM 1518 CA GLU A 125 12.057 -13.328 -52.546 1.00 51.21 C ATOM 1519 C GLU A 125 13.435 -12.696 -52.361 1.00 43.41 C ATOM 1520 O GLU A 125 13.744 -11.656 -52.944 1.00 3.40 O ATOM 1521 CB GLU A 125 10.962 -12.288 -52.332 1.00 54.23 C ATOM 1522 CG GLU A 125 10.589 -11.548 -53.605 1.00 72.23 C ATOM 1523 CD GLU A 125 9.982 -12.468 -54.645 1.00 42.51 C ATOM 1524 OE1 GLU A 125 10.736 -13.150 -55.369 1.00 3.11 O ATOM 1525 OE2 GLU A 125 8.739 -12.523 -54.740 1.00 21.33 O ATOM 0 H GLU A 125 11.913 -14.208 -50.642 1.00 34.44 H new ATOM 0 HA GLU A 125 11.984 -13.703 -53.567 1.00 51.21 H new ATOM 0 HB2 GLU A 125 10.075 -12.779 -51.931 1.00 54.23 H new ATOM 0 HB3 GLU A 125 11.294 -11.568 -51.584 1.00 54.23 H new ATOM 0 HG2 GLU A 125 9.881 -10.754 -53.367 1.00 72.23 H new ATOM 0 HG3 GLU A 125 11.477 -11.070 -54.019 1.00 72.23 H new ATOM 1532 N SER A 126 14.275 -13.351 -51.574 1.00 22.14 N ATOM 1533 CA SER A 126 15.594 -12.822 -51.262 1.00 61.22 C ATOM 1534 C SER A 126 16.511 -12.907 -52.480 1.00 55.22 C ATOM 1535 O SER A 126 17.399 -12.078 -52.646 1.00 13.13 O ATOM 1536 CB SER A 126 16.201 -13.580 -50.077 1.00 35.24 C ATOM 1537 OG SER A 126 17.399 -12.971 -49.621 1.00 44.43 O ATOM 0 H SER A 126 14.067 -14.250 -51.140 1.00 22.14 H new ATOM 0 HA SER A 126 15.490 -11.772 -50.988 1.00 61.22 H new ATOM 0 HB2 SER A 126 15.479 -13.618 -49.261 1.00 35.24 H new ATOM 0 HB3 SER A 126 16.405 -14.610 -50.370 1.00 35.24 H new ATOM 0 HG SER A 126 17.318 -11.997 -49.690 1.00 44.43 H new ATOM 1543 N ASP A 127 16.285 -13.907 -53.329 1.00 11.02 N ATOM 1544 CA ASP A 127 17.074 -14.080 -54.554 1.00 22.43 C ATOM 1545 C ASP A 127 17.009 -12.832 -55.428 1.00 43.23 C ATOM 1546 O ASP A 127 18.030 -12.343 -55.917 1.00 70.32 O ATOM 1547 CB ASP A 127 16.566 -15.275 -55.361 1.00 32.52 C ATOM 1548 CG ASP A 127 16.677 -16.589 -54.618 1.00 63.52 C ATOM 1549 OD1 ASP A 127 15.772 -16.895 -53.811 1.00 61.02 O ATOM 1550 OD2 ASP A 127 17.657 -17.331 -54.847 1.00 33.33 O ATOM 0 H ASP A 127 15.561 -14.613 -53.194 1.00 11.02 H new ATOM 0 HA ASP A 127 18.107 -14.255 -54.253 1.00 22.43 H new ATOM 0 HB2 ASP A 127 15.524 -15.105 -55.632 1.00 32.52 H new ATOM 0 HB3 ASP A 127 17.130 -15.343 -56.291 1.00 32.52 H new ATOM 1555 N LYS A 128 15.798 -12.314 -55.605 1.00 72.11 N ATOM 1556 CA LYS A 128 15.572 -11.157 -56.467 1.00 64.45 C ATOM 1557 C LYS A 128 16.224 -9.928 -55.857 1.00 35.13 C ATOM 1558 O LYS A 128 16.727 -9.053 -56.561 1.00 45.42 O ATOM 1559 CB LYS A 128 14.070 -10.905 -56.643 1.00 1.42 C ATOM 1560 CG LYS A 128 13.238 -12.174 -56.728 1.00 31.32 C ATOM 1561 CD LYS A 128 13.605 -13.026 -57.928 1.00 1.24 C ATOM 1562 CE LYS A 128 13.167 -14.468 -57.731 1.00 33.40 C ATOM 1563 NZ LYS A 128 11.715 -14.581 -57.428 1.00 40.34 N ATOM 0 H LYS A 128 14.955 -12.678 -55.162 1.00 72.11 H new ATOM 0 HA LYS A 128 16.013 -11.359 -57.443 1.00 64.45 H new ATOM 0 HB2 LYS A 128 13.712 -10.303 -55.808 1.00 1.42 H new ATOM 0 HB3 LYS A 128 13.914 -10.319 -57.548 1.00 1.42 H new ATOM 0 HG2 LYS A 128 13.374 -12.756 -55.817 1.00 31.32 H new ATOM 0 HG3 LYS A 128 12.182 -11.910 -56.782 1.00 31.32 H new ATOM 0 HD2 LYS A 128 13.135 -12.619 -58.824 1.00 1.24 H new ATOM 0 HD3 LYS A 128 14.683 -12.989 -58.088 1.00 1.24 H new ATOM 0 HE2 LYS A 128 13.394 -15.040 -58.631 1.00 33.40 H new ATOM 0 HE3 LYS A 128 13.741 -14.912 -56.918 1.00 33.40 H new ATOM 0 HZ1 LYS A 128 11.436 -15.583 -57.436 1.00 40.34 H new ATOM 0 HZ2 LYS A 128 11.524 -14.175 -56.490 1.00 40.34 H new ATOM 0 HZ3 LYS A 128 11.169 -14.064 -58.146 1.00 40.34 H new ATOM 1577 N CYS A 129 16.228 -9.891 -54.534 1.00 51.35 N ATOM 1578 CA CYS A 129 16.784 -8.786 -53.778 1.00 25.44 C ATOM 1579 C CYS A 129 18.308 -8.823 -53.807 1.00 3.34 C ATOM 1580 O CYS A 129 18.963 -7.792 -53.955 1.00 42.43 O ATOM 1581 CB CYS A 129 16.249 -8.886 -52.347 1.00 42.34 C ATOM 1582 SG CYS A 129 17.267 -8.109 -51.057 1.00 45.33 S ATOM 0 H CYS A 129 15.842 -10.634 -53.952 1.00 51.35 H new ATOM 0 HA CYS A 129 16.486 -7.834 -54.218 1.00 25.44 H new ATOM 0 HB2 CYS A 129 15.257 -8.435 -52.319 1.00 42.34 H new ATOM 0 HB3 CYS A 129 16.127 -9.940 -52.099 1.00 42.34 H new ATOM 1587 N LEU A 130 18.863 -10.024 -53.696 1.00 13.32 N ATOM 1588 CA LEU A 130 20.306 -10.216 -53.700 1.00 63.53 C ATOM 1589 C LEU A 130 20.890 -9.719 -55.015 1.00 51.45 C ATOM 1590 O LEU A 130 21.909 -9.023 -55.038 1.00 53.11 O ATOM 1591 CB LEU A 130 20.626 -11.703 -53.472 1.00 33.31 C ATOM 1592 CG LEU A 130 22.110 -12.079 -53.404 1.00 62.05 C ATOM 1593 CD1 LEU A 130 22.307 -13.243 -52.443 1.00 74.43 C ATOM 1594 CD2 LEU A 130 22.635 -12.449 -54.785 1.00 64.35 C ATOM 0 H LEU A 130 18.328 -10.887 -53.601 1.00 13.32 H new ATOM 0 HA LEU A 130 20.759 -9.640 -52.893 1.00 63.53 H new ATOM 0 HB2 LEU A 130 20.152 -12.016 -52.542 1.00 33.31 H new ATOM 0 HB3 LEU A 130 20.164 -12.279 -54.274 1.00 33.31 H new ATOM 0 HG LEU A 130 22.669 -11.216 -53.042 1.00 62.05 H new ATOM 0 HD11 LEU A 130 23.364 -13.504 -52.400 1.00 74.43 H new ATOM 0 HD12 LEU A 130 21.963 -12.956 -51.449 1.00 74.43 H new ATOM 0 HD13 LEU A 130 21.734 -14.103 -52.791 1.00 74.43 H new ATOM 0 HD21 LEU A 130 23.690 -12.713 -54.714 1.00 64.35 H new ATOM 0 HD22 LEU A 130 22.074 -13.299 -55.172 1.00 64.35 H new ATOM 0 HD23 LEU A 130 22.517 -11.600 -55.458 1.00 64.35 H new ATOM 1606 N ASN A 131 20.220 -10.065 -56.105 1.00 52.24 N ATOM 1607 CA ASN A 131 20.624 -9.632 -57.440 1.00 4.11 C ATOM 1608 C ASN A 131 20.509 -8.119 -57.607 1.00 34.44 C ATOM 1609 O ASN A 131 21.234 -7.518 -58.403 1.00 1.31 O ATOM 1610 CB ASN A 131 19.779 -10.339 -58.498 1.00 21.54 C ATOM 1611 CG ASN A 131 20.231 -11.766 -58.748 1.00 31.41 C ATOM 1612 OD1 ASN A 131 21.411 -12.090 -58.610 1.00 60.15 O ATOM 1613 ND2 ASN A 131 19.298 -12.630 -59.116 1.00 51.44 N ATOM 0 H ASN A 131 19.385 -10.651 -56.092 1.00 52.24 H new ATOM 0 HA ASN A 131 21.672 -9.900 -57.570 1.00 4.11 H new ATOM 0 HB2 ASN A 131 18.736 -10.342 -58.182 1.00 21.54 H new ATOM 0 HB3 ASN A 131 19.827 -9.778 -59.431 1.00 21.54 H new ATOM 0 HD21 ASN A 131 19.546 -13.603 -59.296 1.00 51.44 H new ATOM 0 HD22 ASN A 131 18.331 -12.323 -59.219 1.00 51.44 H new ATOM 1620 N ALA A 132 19.626 -7.505 -56.832 1.00 13.33 N ATOM 1621 CA ALA A 132 19.383 -6.069 -56.925 1.00 4.32 C ATOM 1622 C ALA A 132 20.514 -5.306 -56.248 1.00 25.42 C ATOM 1623 O ALA A 132 20.798 -4.151 -56.570 1.00 22.43 O ATOM 1624 CB ALA A 132 18.046 -5.713 -56.297 1.00 25.42 C ATOM 0 H ALA A 132 19.062 -7.981 -56.127 1.00 13.33 H new ATOM 0 HA ALA A 132 19.350 -5.785 -57.977 1.00 4.32 H new ATOM 0 HB1 ALA A 132 17.882 -4.638 -56.376 1.00 25.42 H new ATOM 0 HB2 ALA A 132 17.247 -6.241 -56.818 1.00 25.42 H new ATOM 0 HB3 ALA A 132 18.049 -6.004 -55.247 1.00 25.42 H new ATOM 1630 N ILE A 133 21.170 -5.984 -55.320 1.00 65.53 N ATOM 1631 CA ILE A 133 22.232 -5.389 -54.528 1.00 1.01 C ATOM 1632 C ILE A 133 23.561 -5.461 -55.279 1.00 65.53 C ATOM 1633 O ILE A 133 24.438 -4.617 -55.098 1.00 5.13 O ATOM 1634 CB ILE A 133 22.366 -6.091 -53.152 1.00 5.53 C ATOM 1635 CG1 ILE A 133 21.057 -5.965 -52.363 1.00 20.20 C ATOM 1636 CG2 ILE A 133 23.530 -5.519 -52.346 1.00 43.10 C ATOM 1637 CD1 ILE A 133 20.640 -4.534 -52.096 1.00 34.24 C ATOM 0 H ILE A 133 20.981 -6.961 -55.095 1.00 65.53 H new ATOM 0 HA ILE A 133 21.974 -4.344 -54.356 1.00 1.01 H new ATOM 0 HB ILE A 133 22.572 -7.146 -53.332 1.00 5.53 H new ATOM 0 HG12 ILE A 133 20.262 -6.469 -52.913 1.00 20.20 H new ATOM 0 HG13 ILE A 133 21.166 -6.486 -51.412 1.00 20.20 H new ATOM 0 HG21 ILE A 133 23.596 -6.033 -51.387 1.00 43.10 H new ATOM 0 HG22 ILE A 133 24.459 -5.660 -52.898 1.00 43.10 H new ATOM 0 HG23 ILE A 133 23.367 -4.455 -52.177 1.00 43.10 H new ATOM 0 HD11 ILE A 133 19.706 -4.526 -51.534 1.00 34.24 H new ATOM 0 HD12 ILE A 133 21.415 -4.031 -51.518 1.00 34.24 H new ATOM 0 HD13 ILE A 133 20.498 -4.014 -53.043 1.00 34.24 H new ATOM 1649 N LYS A 134 23.696 -6.447 -56.157 1.00 72.35 N ATOM 1650 CA LYS A 134 24.971 -6.715 -56.812 1.00 65.21 C ATOM 1651 C LYS A 134 25.260 -5.675 -57.888 1.00 73.24 C ATOM 1652 O LYS A 134 26.408 -5.273 -58.087 1.00 11.45 O ATOM 1653 CB LYS A 134 24.956 -8.114 -57.424 1.00 14.30 C ATOM 1654 CG LYS A 134 24.849 -9.224 -56.392 1.00 52.44 C ATOM 1655 CD LYS A 134 24.667 -10.596 -57.029 1.00 13.24 C ATOM 1656 CE LYS A 134 25.742 -10.898 -58.063 1.00 31.32 C ATOM 1657 NZ LYS A 134 25.292 -10.569 -59.444 1.00 13.33 N ATOM 0 H LYS A 134 22.940 -7.074 -56.432 1.00 72.35 H new ATOM 0 HA LYS A 134 25.761 -6.658 -56.064 1.00 65.21 H new ATOM 0 HB2 LYS A 134 24.118 -8.190 -58.117 1.00 14.30 H new ATOM 0 HB3 LYS A 134 25.866 -8.257 -58.007 1.00 14.30 H new ATOM 0 HG2 LYS A 134 25.747 -9.230 -55.775 1.00 52.44 H new ATOM 0 HG3 LYS A 134 24.008 -9.020 -55.729 1.00 52.44 H new ATOM 0 HD2 LYS A 134 24.687 -11.361 -56.252 1.00 13.24 H new ATOM 0 HD3 LYS A 134 23.686 -10.648 -57.502 1.00 13.24 H new ATOM 0 HE2 LYS A 134 26.641 -10.328 -57.829 1.00 31.32 H new ATOM 0 HE3 LYS A 134 26.010 -11.953 -58.010 1.00 31.32 H new ATOM 0 HZ1 LYS A 134 25.773 -11.192 -60.124 1.00 13.33 H new ATOM 0 HZ2 LYS A 134 24.264 -10.706 -59.516 1.00 13.33 H new ATOM 0 HZ3 LYS A 134 25.525 -9.578 -59.658 1.00 13.33 H new ATOM 1671 N GLU A 135 24.203 -5.226 -58.563 1.00 2.35 N ATOM 1672 CA GLU A 135 24.319 -4.208 -59.608 1.00 75.13 C ATOM 1673 C GLU A 135 24.766 -2.872 -59.023 1.00 70.30 C ATOM 1674 O GLU A 135 25.191 -1.974 -59.748 1.00 65.35 O ATOM 1675 CB GLU A 135 22.980 -4.028 -60.326 1.00 14.20 C ATOM 1676 CG GLU A 135 21.828 -3.756 -59.375 1.00 22.01 C ATOM 1677 CD GLU A 135 20.586 -3.246 -60.071 1.00 4.02 C ATOM 1678 OE1 GLU A 135 20.045 -3.956 -60.938 1.00 22.54 O ATOM 1679 OE2 GLU A 135 20.149 -2.118 -59.760 1.00 63.44 O ATOM 0 H GLU A 135 23.250 -5.553 -58.404 1.00 2.35 H new ATOM 0 HA GLU A 135 25.070 -4.546 -60.322 1.00 75.13 H new ATOM 0 HB2 GLU A 135 23.062 -3.203 -61.034 1.00 14.20 H new ATOM 0 HB3 GLU A 135 22.761 -4.925 -60.905 1.00 14.20 H new ATOM 0 HG2 GLU A 135 21.585 -4.673 -58.838 1.00 22.01 H new ATOM 0 HG3 GLU A 135 22.145 -3.025 -58.631 1.00 22.01 H new ATOM 1686 N LYS A 136 24.656 -2.748 -57.708 1.00 73.53 N ATOM 1687 CA LYS A 136 25.042 -1.526 -57.023 1.00 62.31 C ATOM 1688 C LYS A 136 26.560 -1.371 -57.001 1.00 64.02 C ATOM 1689 O LYS A 136 27.080 -0.261 -57.101 1.00 52.00 O ATOM 1690 CB LYS A 136 24.504 -1.521 -55.589 1.00 5.23 C ATOM 1691 CG LYS A 136 22.983 -1.547 -55.491 1.00 50.25 C ATOM 1692 CD LYS A 136 22.361 -0.287 -56.070 1.00 72.24 C ATOM 1693 CE LYS A 136 21.585 -0.583 -57.341 1.00 63.32 C ATOM 1694 NZ LYS A 136 20.373 -1.403 -57.074 1.00 12.24 N ATOM 0 H LYS A 136 24.302 -3.482 -57.094 1.00 73.53 H new ATOM 0 HA LYS A 136 24.611 -0.687 -57.569 1.00 62.31 H new ATOM 0 HB2 LYS A 136 24.906 -2.385 -55.059 1.00 5.23 H new ATOM 0 HB3 LYS A 136 24.875 -0.633 -55.077 1.00 5.23 H new ATOM 0 HG2 LYS A 136 22.599 -2.419 -56.021 1.00 50.25 H new ATOM 0 HG3 LYS A 136 22.687 -1.652 -54.447 1.00 50.25 H new ATOM 0 HD2 LYS A 136 21.696 0.163 -55.333 1.00 72.24 H new ATOM 0 HD3 LYS A 136 23.143 0.442 -56.281 1.00 72.24 H new ATOM 0 HE2 LYS A 136 21.292 0.354 -57.814 1.00 63.32 H new ATOM 0 HE3 LYS A 136 22.230 -1.108 -58.046 1.00 63.32 H new ATOM 0 HZ1 LYS A 136 19.928 -1.668 -57.976 1.00 12.24 H new ATOM 0 HZ2 LYS A 136 20.643 -2.263 -56.555 1.00 12.24 H new ATOM 0 HZ3 LYS A 136 19.700 -0.852 -56.504 1.00 12.24 H new ATOM 1708 N TYR A 137 27.272 -2.485 -56.876 1.00 23.53 N ATOM 1709 CA TYR A 137 28.716 -2.431 -56.659 1.00 31.04 C ATOM 1710 C TYR A 137 29.505 -3.009 -57.829 1.00 34.52 C ATOM 1711 O TYR A 137 30.694 -3.307 -57.694 1.00 14.41 O ATOM 1712 CB TYR A 137 29.073 -3.171 -55.368 1.00 0.33 C ATOM 1713 CG TYR A 137 28.227 -2.750 -54.189 1.00 24.21 C ATOM 1714 CD1 TYR A 137 28.291 -1.455 -53.689 1.00 5.41 C ATOM 1715 CD2 TYR A 137 27.350 -3.641 -53.590 1.00 21.43 C ATOM 1716 CE1 TYR A 137 27.508 -1.062 -52.621 1.00 53.33 C ATOM 1717 CE2 TYR A 137 26.560 -3.258 -52.523 1.00 74.44 C ATOM 1718 CZ TYR A 137 26.642 -1.967 -52.041 1.00 63.12 C ATOM 1719 OH TYR A 137 25.859 -1.587 -50.975 1.00 33.32 O ATOM 0 H TYR A 137 26.881 -3.426 -56.920 1.00 23.53 H new ATOM 0 HA TYR A 137 28.993 -1.380 -56.575 1.00 31.04 H new ATOM 0 HB2 TYR A 137 28.956 -4.243 -55.527 1.00 0.33 H new ATOM 0 HB3 TYR A 137 30.123 -2.996 -55.135 1.00 0.33 H new ATOM 0 HD1 TYR A 137 28.965 -0.743 -54.143 1.00 5.41 H new ATOM 0 HD2 TYR A 137 27.283 -4.652 -53.964 1.00 21.43 H new ATOM 0 HE1 TYR A 137 27.573 -0.053 -52.242 1.00 53.33 H new ATOM 0 HE2 TYR A 137 25.882 -3.965 -52.068 1.00 74.44 H new ATOM 0 HH TYR A 137 25.779 -2.334 -50.346 1.00 33.32 H new ATOM 1729 N LYS A 138 28.862 -3.155 -58.979 1.00 61.51 N ATOM 1730 CA LYS A 138 29.565 -3.615 -60.171 1.00 43.33 C ATOM 1731 C LYS A 138 30.451 -2.495 -60.724 1.00 52.31 C ATOM 1732 O LYS A 138 30.171 -1.317 -60.500 1.00 11.33 O ATOM 1733 CB LYS A 138 28.573 -4.139 -61.228 1.00 65.11 C ATOM 1734 CG LYS A 138 27.413 -3.205 -61.558 1.00 44.23 C ATOM 1735 CD LYS A 138 27.804 -2.095 -62.523 1.00 21.11 C ATOM 1736 CE LYS A 138 28.234 -2.637 -63.879 1.00 73.14 C ATOM 1737 NZ LYS A 138 27.175 -3.467 -64.514 1.00 43.41 N ATOM 0 H LYS A 138 27.869 -2.965 -59.113 1.00 61.51 H new ATOM 0 HA LYS A 138 30.211 -4.450 -59.900 1.00 43.33 H new ATOM 0 HB2 LYS A 138 29.123 -4.346 -62.146 1.00 65.11 H new ATOM 0 HB3 LYS A 138 28.165 -5.088 -60.880 1.00 65.11 H new ATOM 0 HG2 LYS A 138 26.598 -3.785 -61.990 1.00 44.23 H new ATOM 0 HG3 LYS A 138 27.036 -2.762 -60.636 1.00 44.23 H new ATOM 0 HD2 LYS A 138 26.961 -1.417 -62.655 1.00 21.11 H new ATOM 0 HD3 LYS A 138 28.618 -1.511 -62.092 1.00 21.11 H new ATOM 0 HE2 LYS A 138 28.485 -1.806 -64.538 1.00 73.14 H new ATOM 0 HE3 LYS A 138 29.138 -3.234 -63.760 1.00 73.14 H new ATOM 0 HZ1 LYS A 138 27.423 -3.645 -65.508 1.00 43.41 H new ATOM 0 HZ2 LYS A 138 27.095 -4.373 -64.010 1.00 43.41 H new ATOM 0 HZ3 LYS A 138 26.266 -2.964 -64.469 1.00 43.41 H new