USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=25 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 84 LYS NZ :NH3+ -153:sc= 0.869 (180deg=0) USER MOD Set 1.2: A 85 TYR OH : rot -115:sc= 1.79 USER MOD Single : A 45 SER OG : rot 97:sc= 1.28 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -127:sc= 0.0135 (180deg=-0.0863) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0.785 K(o=0.79,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 163:sc= 1.24 (180deg=1.17) USER MOD Single : A 67 LYS NZ :NH3+ -116:sc= 0.999 (180deg=-0.128) USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.974 F(o=-2.4,f=-0.97) USER MOD Single : A 75 THR OG1 : rot -148:sc= 0.33 USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= 2.23 (180deg=1.45) USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= 1.29 (180deg=1.1) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ -165:sc= -1.19! (180deg=-3.15!) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0643 F(o=-1.4!,f=-0.064) USER MOD Single : A 119 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 122 LYS NZ :NH3+ -147:sc= 0.648 (180deg=0.257) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.0175 K(o=-0.017,f=-1.1) USER MOD Single : A 134 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0136) USER MOD Single : A 136 LYS NZ :NH3+ 145:sc= 0.206 (180deg=-0.815!) USER MOD Single : A 137 TYR OH : rot 165:sc= -0.637 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 222 N PRO A 41 4.292 -9.269 -26.706 1.00 70.24 N ATOM 223 CA PRO A 41 5.698 -9.640 -26.813 1.00 15.31 C ATOM 224 C PRO A 41 5.899 -10.662 -27.928 1.00 64.13 C ATOM 225 O PRO A 41 4.924 -11.155 -28.500 1.00 31.23 O ATOM 226 CB PRO A 41 6.022 -10.265 -25.444 1.00 23.35 C ATOM 227 CG PRO A 41 4.779 -10.134 -24.623 1.00 44.20 C ATOM 228 CD PRO A 41 3.648 -9.970 -25.593 1.00 70.23 C ATOM 0 HA PRO A 41 6.340 -8.792 -27.052 1.00 15.31 H new ATOM 0 HB2 PRO A 41 6.310 -11.311 -25.551 1.00 23.35 H new ATOM 0 HB3 PRO A 41 6.858 -9.752 -24.969 1.00 23.35 H new ATOM 0 HG2 PRO A 41 4.631 -11.015 -23.999 1.00 44.20 H new ATOM 0 HG3 PRO A 41 4.844 -9.276 -23.953 1.00 44.20 H new ATOM 0 HD2 PRO A 41 3.234 -10.930 -25.902 1.00 70.23 H new ATOM 0 HD3 PRO A 41 2.828 -9.391 -25.168 1.00 70.23 H new ATOM 236 N LEU A 42 7.148 -10.979 -28.250 1.00 61.42 N ATOM 237 CA LEU A 42 7.420 -11.934 -29.319 1.00 64.00 C ATOM 238 C LEU A 42 6.899 -13.323 -28.947 1.00 74.33 C ATOM 239 O LEU A 42 7.183 -13.846 -27.867 1.00 32.45 O ATOM 240 CB LEU A 42 8.918 -11.995 -29.669 1.00 32.24 C ATOM 241 CG LEU A 42 9.845 -12.675 -28.647 1.00 50.43 C ATOM 242 CD1 LEU A 42 11.210 -12.933 -29.265 1.00 23.21 C ATOM 243 CD2 LEU A 42 9.997 -11.830 -27.391 1.00 34.41 C ATOM 0 H LEU A 42 7.977 -10.596 -27.795 1.00 61.42 H new ATOM 0 HA LEU A 42 6.891 -11.586 -30.207 1.00 64.00 H new ATOM 0 HB2 LEU A 42 9.023 -12.516 -30.621 1.00 32.24 H new ATOM 0 HB3 LEU A 42 9.272 -10.976 -29.822 1.00 32.24 H new ATOM 0 HG LEU A 42 9.391 -13.625 -28.365 1.00 50.43 H new ATOM 0 HD11 LEU A 42 11.856 -13.415 -28.531 1.00 23.21 H new ATOM 0 HD12 LEU A 42 11.099 -13.583 -30.133 1.00 23.21 H new ATOM 0 HD13 LEU A 42 11.654 -11.987 -29.574 1.00 23.21 H new ATOM 0 HD21 LEU A 42 10.658 -12.338 -26.689 1.00 34.41 H new ATOM 0 HD22 LEU A 42 10.422 -10.861 -27.653 1.00 34.41 H new ATOM 0 HD23 LEU A 42 9.020 -11.685 -26.930 1.00 34.41 H new ATOM 255 N ASP A 43 6.106 -13.896 -29.839 1.00 44.34 N ATOM 256 CA ASP A 43 5.525 -15.214 -29.625 1.00 72.12 C ATOM 257 C ASP A 43 5.426 -15.945 -30.957 1.00 30.23 C ATOM 258 O ASP A 43 5.526 -15.318 -32.012 1.00 11.51 O ATOM 259 CB ASP A 43 4.133 -15.083 -28.988 1.00 55.20 C ATOM 260 CG ASP A 43 3.504 -16.421 -28.642 1.00 50.31 C ATOM 261 OD1 ASP A 43 3.801 -16.959 -27.554 1.00 21.34 O ATOM 262 OD2 ASP A 43 2.707 -16.941 -29.454 1.00 42.11 O ATOM 0 H ASP A 43 5.848 -13.465 -30.726 1.00 44.34 H new ATOM 0 HA ASP A 43 6.163 -15.783 -28.948 1.00 72.12 H new ATOM 0 HB2 ASP A 43 4.210 -14.480 -28.083 1.00 55.20 H new ATOM 0 HB3 ASP A 43 3.476 -14.547 -29.673 1.00 55.20 H new ATOM 267 N ALA A 44 5.223 -17.257 -30.906 1.00 0.14 N ATOM 268 CA ALA A 44 5.077 -18.064 -32.113 1.00 41.45 C ATOM 269 C ALA A 44 3.908 -17.567 -32.957 1.00 65.33 C ATOM 270 O ALA A 44 3.920 -17.684 -34.181 1.00 41.32 O ATOM 271 CB ALA A 44 4.885 -19.529 -31.747 1.00 74.35 C ATOM 0 H ALA A 44 5.155 -17.787 -30.037 1.00 0.14 H new ATOM 0 HA ALA A 44 5.988 -17.968 -32.704 1.00 41.45 H new ATOM 0 HB1 ALA A 44 4.777 -20.120 -32.656 1.00 74.35 H new ATOM 0 HB2 ALA A 44 5.751 -19.880 -31.186 1.00 74.35 H new ATOM 0 HB3 ALA A 44 3.989 -19.637 -31.136 1.00 74.35 H new ATOM 277 N SER A 45 2.911 -16.994 -32.288 1.00 51.10 N ATOM 278 CA SER A 45 1.744 -16.436 -32.957 1.00 61.45 C ATOM 279 C SER A 45 2.150 -15.318 -33.922 1.00 73.14 C ATOM 280 O SER A 45 1.555 -15.153 -34.984 1.00 75.13 O ATOM 281 CB SER A 45 0.759 -15.898 -31.915 1.00 35.01 C ATOM 282 OG SER A 45 0.522 -16.860 -30.896 1.00 20.43 O ATOM 0 H SER A 45 2.891 -16.905 -31.272 1.00 51.10 H new ATOM 0 HA SER A 45 1.265 -17.227 -33.534 1.00 61.45 H new ATOM 0 HB2 SER A 45 1.155 -14.984 -31.473 1.00 35.01 H new ATOM 0 HB3 SER A 45 -0.182 -15.636 -32.399 1.00 35.01 H new ATOM 0 HG SER A 45 1.093 -16.666 -30.124 1.00 20.43 H new ATOM 288 N PHE A 46 3.177 -14.567 -33.552 1.00 4.43 N ATOM 289 CA PHE A 46 3.668 -13.473 -34.379 1.00 54.31 C ATOM 290 C PHE A 46 4.414 -14.004 -35.603 1.00 11.04 C ATOM 291 O PHE A 46 4.333 -13.433 -36.689 1.00 15.33 O ATOM 292 CB PHE A 46 4.579 -12.559 -33.554 1.00 73.50 C ATOM 293 CG PHE A 46 5.197 -11.441 -34.346 1.00 41.45 C ATOM 294 CD1 PHE A 46 4.408 -10.450 -34.908 1.00 41.12 C ATOM 295 CD2 PHE A 46 6.569 -11.381 -34.526 1.00 11.22 C ATOM 296 CE1 PHE A 46 4.976 -9.421 -35.633 1.00 22.20 C ATOM 297 CE2 PHE A 46 7.143 -10.355 -35.250 1.00 25.11 C ATOM 298 CZ PHE A 46 6.347 -9.374 -35.803 1.00 31.41 C ATOM 0 H PHE A 46 3.689 -14.696 -32.679 1.00 4.43 H new ATOM 0 HA PHE A 46 2.812 -12.897 -34.730 1.00 54.31 H new ATOM 0 HB2 PHE A 46 4.003 -12.134 -32.732 1.00 73.50 H new ATOM 0 HB3 PHE A 46 5.373 -13.159 -33.110 1.00 73.50 H new ATOM 0 HD1 PHE A 46 3.336 -10.483 -34.777 1.00 41.12 H new ATOM 0 HD2 PHE A 46 7.198 -12.146 -34.095 1.00 11.22 H new ATOM 0 HE1 PHE A 46 4.350 -8.655 -36.066 1.00 22.20 H new ATOM 0 HE2 PHE A 46 8.214 -10.321 -35.383 1.00 25.11 H new ATOM 0 HZ PHE A 46 6.794 -8.570 -36.368 1.00 31.41 H new ATOM 308 N CYS A 47 5.100 -15.128 -35.427 1.00 73.00 N ATOM 309 CA CYS A 47 5.957 -15.685 -36.473 1.00 3.54 C ATOM 310 C CYS A 47 5.151 -16.374 -37.573 1.00 1.24 C ATOM 311 O CYS A 47 5.725 -16.951 -38.499 1.00 72.00 O ATOM 312 CB CYS A 47 6.952 -16.677 -35.868 1.00 5.11 C ATOM 313 SG CYS A 47 8.103 -15.941 -34.662 1.00 3.35 S ATOM 0 H CYS A 47 5.080 -15.675 -34.566 1.00 73.00 H new ATOM 0 HA CYS A 47 6.494 -14.852 -36.926 1.00 3.54 H new ATOM 0 HB2 CYS A 47 6.397 -17.479 -35.381 1.00 5.11 H new ATOM 0 HB3 CYS A 47 7.529 -17.132 -36.673 1.00 5.11 H new ATOM 318 N ARG A 48 3.825 -16.303 -37.487 1.00 22.20 N ATOM 319 CA ARG A 48 2.960 -16.931 -38.482 1.00 21.22 C ATOM 320 C ARG A 48 3.170 -16.305 -39.865 1.00 52.32 C ATOM 321 O ARG A 48 3.033 -16.975 -40.886 1.00 71.53 O ATOM 322 CB ARG A 48 1.489 -16.816 -38.071 1.00 44.10 C ATOM 323 CG ARG A 48 0.995 -15.384 -37.986 1.00 3.34 C ATOM 324 CD ARG A 48 -0.467 -15.318 -37.586 1.00 20.01 C ATOM 325 NE ARG A 48 -0.936 -13.938 -37.491 1.00 12.52 N ATOM 326 CZ ARG A 48 -2.219 -13.587 -37.479 1.00 1.32 C ATOM 327 NH1 ARG A 48 -3.166 -14.511 -37.555 1.00 25.11 N ATOM 328 NH2 ARG A 48 -2.564 -12.308 -37.393 1.00 64.34 N ATOM 0 H ARG A 48 3.327 -15.818 -36.740 1.00 22.20 H new ATOM 0 HA ARG A 48 3.227 -17.986 -38.537 1.00 21.22 H new ATOM 0 HB2 ARG A 48 0.876 -17.362 -38.788 1.00 44.10 H new ATOM 0 HB3 ARG A 48 1.352 -17.298 -37.103 1.00 44.10 H new ATOM 0 HG2 ARG A 48 1.596 -14.834 -37.262 1.00 3.34 H new ATOM 0 HG3 ARG A 48 1.131 -14.894 -38.950 1.00 3.34 H new ATOM 0 HD2 ARG A 48 -1.069 -15.858 -38.316 1.00 20.01 H new ATOM 0 HD3 ARG A 48 -0.605 -15.817 -36.627 1.00 20.01 H new ATOM 0 HE ARG A 48 -0.237 -13.198 -37.430 1.00 12.52 H new ATOM 0 HH11 ARG A 48 -2.913 -15.497 -37.623 1.00 25.11 H new ATOM 0 HH12 ARG A 48 -4.148 -14.236 -37.545 1.00 25.11 H new ATOM 0 HH21 ARG A 48 -1.844 -11.588 -37.336 1.00 64.34 H new ATOM 0 HH22 ARG A 48 -3.549 -12.045 -37.384 1.00 64.34 H new ATOM 342 N THR A 49 3.524 -15.026 -39.888 1.00 3.30 N ATOM 343 CA THR A 49 3.731 -14.311 -41.140 1.00 11.41 C ATOM 344 C THR A 49 5.109 -14.607 -41.724 1.00 64.00 C ATOM 345 O THR A 49 5.384 -14.309 -42.891 1.00 61.20 O ATOM 346 CB THR A 49 3.564 -12.797 -40.931 1.00 72.21 C ATOM 347 OG1 THR A 49 4.248 -12.393 -39.737 1.00 3.44 O ATOM 348 CG2 THR A 49 2.093 -12.425 -40.829 1.00 34.23 C ATOM 0 H THR A 49 3.674 -14.462 -39.051 1.00 3.30 H new ATOM 0 HA THR A 49 2.978 -14.657 -41.847 1.00 11.41 H new ATOM 0 HB THR A 49 3.993 -12.281 -41.790 1.00 72.21 H new ATOM 0 HG1 THR A 49 4.140 -11.427 -39.609 1.00 3.44 H new ATOM 0 HG21 THR A 49 1.999 -11.349 -40.681 1.00 34.23 H new ATOM 0 HG22 THR A 49 1.581 -12.711 -41.748 1.00 34.23 H new ATOM 0 HG23 THR A 49 1.643 -12.948 -39.985 1.00 34.23 H new ATOM 356 N ALA A 50 5.972 -15.201 -40.907 1.00 32.01 N ATOM 357 CA ALA A 50 7.301 -15.591 -41.350 1.00 72.43 C ATOM 358 C ALA A 50 7.223 -16.851 -42.201 1.00 53.12 C ATOM 359 O ALA A 50 8.103 -17.120 -43.019 1.00 5.20 O ATOM 360 CB ALA A 50 8.218 -15.798 -40.158 1.00 43.43 C ATOM 0 H ALA A 50 5.772 -15.423 -39.932 1.00 32.01 H new ATOM 0 HA ALA A 50 7.717 -14.790 -41.961 1.00 72.43 H new ATOM 0 HB1 ALA A 50 9.209 -16.089 -40.507 1.00 43.43 H new ATOM 0 HB2 ALA A 50 8.292 -14.870 -39.590 1.00 43.43 H new ATOM 0 HB3 ALA A 50 7.813 -16.583 -39.519 1.00 43.43 H new ATOM 366 N GLY A 51 6.171 -17.629 -41.983 1.00 2.00 N ATOM 367 CA GLY A 51 5.896 -18.771 -42.828 1.00 1.23 C ATOM 368 C GLY A 51 6.758 -19.969 -42.501 1.00 31.23 C ATOM 369 O GLY A 51 6.488 -20.691 -41.541 1.00 70.34 O ATOM 0 H GLY A 51 5.499 -17.486 -41.229 1.00 2.00 H new ATOM 0 HA2 GLY A 51 4.846 -19.047 -42.726 1.00 1.23 H new ATOM 0 HA3 GLY A 51 6.052 -18.491 -43.870 1.00 1.23 H new ATOM 373 N SER A 52 7.810 -20.160 -43.287 1.00 33.31 N ATOM 374 CA SER A 52 8.671 -21.327 -43.164 1.00 24.34 C ATOM 375 C SER A 52 9.327 -21.395 -41.791 1.00 51.44 C ATOM 376 O SER A 52 9.343 -22.445 -41.145 1.00 11.24 O ATOM 377 CB SER A 52 9.740 -21.297 -44.257 1.00 64.12 C ATOM 378 OG SER A 52 10.425 -20.053 -44.278 1.00 64.21 O ATOM 0 H SER A 52 8.089 -19.513 -44.024 1.00 33.31 H new ATOM 0 HA SER A 52 8.054 -22.218 -43.281 1.00 24.34 H new ATOM 0 HB2 SER A 52 10.454 -22.104 -44.092 1.00 64.12 H new ATOM 0 HB3 SER A 52 9.276 -21.475 -45.227 1.00 64.12 H new ATOM 0 HG SER A 52 11.103 -20.065 -44.986 1.00 64.21 H new ATOM 384 N ARG A 53 9.840 -20.263 -41.334 1.00 43.24 N ATOM 385 CA ARG A 53 10.588 -20.222 -40.090 1.00 12.40 C ATOM 386 C ARG A 53 9.671 -20.077 -38.876 1.00 40.14 C ATOM 387 O ARG A 53 10.133 -19.844 -37.761 1.00 45.41 O ATOM 388 CB ARG A 53 11.653 -19.123 -40.138 1.00 4.13 C ATOM 389 CG ARG A 53 11.132 -17.727 -40.441 1.00 75.21 C ATOM 390 CD ARG A 53 12.264 -16.831 -40.921 1.00 3.32 C ATOM 391 NE ARG A 53 11.890 -15.416 -40.971 1.00 54.43 N ATOM 392 CZ ARG A 53 12.452 -14.529 -41.798 1.00 3.03 C ATOM 393 NH1 ARG A 53 13.323 -14.928 -42.719 1.00 22.43 N ATOM 394 NH2 ARG A 53 12.135 -13.243 -41.723 1.00 50.32 N ATOM 0 H ARG A 53 9.752 -19.363 -41.806 1.00 43.24 H new ATOM 0 HA ARG A 53 11.099 -21.178 -39.976 1.00 12.40 H new ATOM 0 HB2 ARG A 53 12.171 -19.100 -39.179 1.00 4.13 H new ATOM 0 HB3 ARG A 53 12.392 -19.389 -40.893 1.00 4.13 H new ATOM 0 HG2 ARG A 53 10.354 -17.780 -41.202 1.00 75.21 H new ATOM 0 HG3 ARG A 53 10.676 -17.300 -39.548 1.00 75.21 H new ATOM 0 HD2 ARG A 53 13.121 -16.952 -40.259 1.00 3.32 H new ATOM 0 HD3 ARG A 53 12.580 -17.153 -41.913 1.00 3.32 H new ATOM 0 HE ARG A 53 11.159 -15.089 -40.339 1.00 54.43 H new ATOM 0 HH11 ARG A 53 13.566 -15.916 -42.797 1.00 22.43 H new ATOM 0 HH12 ARG A 53 13.749 -14.247 -43.347 1.00 22.43 H new ATOM 0 HH21 ARG A 53 11.458 -12.924 -41.030 1.00 50.32 H new ATOM 0 HH22 ARG A 53 12.569 -12.573 -42.358 1.00 50.32 H new ATOM 408 N GLU A 54 8.368 -20.246 -39.087 1.00 12.42 N ATOM 409 CA GLU A 54 7.435 -20.384 -37.975 1.00 33.02 C ATOM 410 C GLU A 54 7.683 -21.728 -37.313 1.00 22.35 C ATOM 411 O GLU A 54 7.549 -21.881 -36.098 1.00 64.21 O ATOM 412 CB GLU A 54 5.981 -20.279 -38.453 1.00 54.32 C ATOM 413 CG GLU A 54 4.955 -20.768 -37.434 1.00 0.22 C ATOM 414 CD GLU A 54 4.270 -22.047 -37.869 1.00 35.34 C ATOM 415 OE1 GLU A 54 4.823 -23.138 -37.621 1.00 50.42 O ATOM 416 OE2 GLU A 54 3.177 -21.969 -38.466 1.00 63.13 O ATOM 0 H GLU A 54 7.938 -20.290 -40.011 1.00 12.42 H new ATOM 0 HA GLU A 54 7.597 -19.576 -37.261 1.00 33.02 H new ATOM 0 HB2 GLU A 54 5.765 -19.240 -38.701 1.00 54.32 H new ATOM 0 HB3 GLU A 54 5.869 -20.855 -39.371 1.00 54.32 H new ATOM 0 HG2 GLU A 54 5.449 -20.932 -36.476 1.00 0.22 H new ATOM 0 HG3 GLU A 54 4.205 -19.993 -37.278 1.00 0.22 H new ATOM 423 N LYS A 55 8.095 -22.679 -38.145 1.00 63.14 N ATOM 424 CA LYS A 55 8.417 -24.029 -37.710 1.00 51.54 C ATOM 425 C LYS A 55 9.524 -23.983 -36.668 1.00 63.42 C ATOM 426 O LYS A 55 9.548 -24.762 -35.713 1.00 52.44 O ATOM 427 CB LYS A 55 8.865 -24.851 -38.926 1.00 24.52 C ATOM 428 CG LYS A 55 9.415 -26.223 -38.590 1.00 10.32 C ATOM 429 CD LYS A 55 10.071 -26.863 -39.804 1.00 15.12 C ATOM 430 CE LYS A 55 11.294 -26.077 -40.267 1.00 14.51 C ATOM 431 NZ LYS A 55 12.401 -26.140 -39.274 1.00 71.03 N ATOM 0 H LYS A 55 8.215 -22.531 -39.147 1.00 63.14 H new ATOM 0 HA LYS A 55 7.539 -24.494 -37.263 1.00 51.54 H new ATOM 0 HB2 LYS A 55 8.017 -24.969 -39.601 1.00 24.52 H new ATOM 0 HB3 LYS A 55 9.628 -24.290 -39.467 1.00 24.52 H new ATOM 0 HG2 LYS A 55 10.142 -26.139 -37.782 1.00 10.32 H new ATOM 0 HG3 LYS A 55 8.610 -26.862 -38.229 1.00 10.32 H new ATOM 0 HD2 LYS A 55 10.365 -27.884 -39.562 1.00 15.12 H new ATOM 0 HD3 LYS A 55 9.348 -26.924 -40.618 1.00 15.12 H new ATOM 0 HE2 LYS A 55 11.640 -26.472 -41.222 1.00 14.51 H new ATOM 0 HE3 LYS A 55 11.015 -25.037 -40.435 1.00 14.51 H new ATOM 0 HZ1 LYS A 55 12.714 -25.176 -39.041 1.00 71.03 H new ATOM 0 HZ2 LYS A 55 12.066 -26.613 -38.411 1.00 71.03 H new ATOM 0 HZ3 LYS A 55 13.197 -26.675 -39.676 1.00 71.03 H new ATOM 445 N ASP A 56 10.432 -23.048 -36.871 1.00 71.42 N ATOM 446 CA ASP A 56 11.553 -22.848 -35.975 1.00 42.23 C ATOM 447 C ASP A 56 11.147 -21.975 -34.795 1.00 71.24 C ATOM 448 O ASP A 56 11.392 -22.323 -33.641 1.00 24.42 O ATOM 449 CB ASP A 56 12.702 -22.194 -36.738 1.00 60.10 C ATOM 450 CG ASP A 56 13.249 -23.073 -37.842 1.00 24.20 C ATOM 451 OD1 ASP A 56 12.645 -23.114 -38.934 1.00 14.33 O ATOM 452 OD2 ASP A 56 14.290 -23.726 -37.626 1.00 51.14 O ATOM 0 H ASP A 56 10.413 -22.405 -37.663 1.00 71.42 H new ATOM 0 HA ASP A 56 11.875 -23.816 -35.590 1.00 42.23 H new ATOM 0 HB2 ASP A 56 12.358 -21.252 -37.166 1.00 60.10 H new ATOM 0 HB3 ASP A 56 13.504 -21.953 -36.041 1.00 60.10 H new ATOM 457 N CYS A 57 10.493 -20.854 -35.100 1.00 53.24 N ATOM 458 CA CYS A 57 10.106 -19.875 -34.085 1.00 3.25 C ATOM 459 C CYS A 57 9.290 -20.510 -32.964 1.00 45.14 C ATOM 460 O CYS A 57 9.519 -20.219 -31.790 1.00 44.22 O ATOM 461 CB CYS A 57 9.311 -18.730 -34.718 1.00 63.51 C ATOM 462 SG CYS A 57 8.675 -17.515 -33.514 1.00 44.35 S ATOM 0 H CYS A 57 10.219 -20.601 -36.049 1.00 53.24 H new ATOM 0 HA CYS A 57 11.025 -19.482 -33.651 1.00 3.25 H new ATOM 0 HB2 CYS A 57 9.947 -18.214 -35.438 1.00 63.51 H new ATOM 0 HB3 CYS A 57 8.472 -19.148 -35.275 1.00 63.51 H new ATOM 467 N ARG A 58 8.364 -21.399 -33.315 1.00 44.12 N ATOM 468 CA ARG A 58 7.487 -22.012 -32.318 1.00 23.30 C ATOM 469 C ARG A 58 8.293 -22.837 -31.314 1.00 24.21 C ATOM 470 O ARG A 58 7.925 -22.936 -30.145 1.00 25.20 O ATOM 471 CB ARG A 58 6.417 -22.883 -32.984 1.00 15.23 C ATOM 472 CG ARG A 58 6.983 -23.976 -33.870 1.00 1.34 C ATOM 473 CD ARG A 58 5.919 -24.981 -34.289 1.00 20.12 C ATOM 474 NE ARG A 58 4.863 -24.405 -35.123 1.00 55.23 N ATOM 475 CZ ARG A 58 3.637 -24.928 -35.229 1.00 11.24 C ATOM 476 NH1 ARG A 58 3.272 -25.939 -34.451 1.00 50.34 N ATOM 477 NH2 ARG A 58 2.779 -24.426 -36.105 1.00 2.11 N ATOM 0 H ARG A 58 8.201 -21.710 -34.273 1.00 44.12 H new ATOM 0 HA ARG A 58 6.986 -21.207 -31.780 1.00 23.30 H new ATOM 0 HB2 ARG A 58 5.799 -23.339 -32.210 1.00 15.23 H new ATOM 0 HB3 ARG A 58 5.763 -22.247 -33.580 1.00 15.23 H new ATOM 0 HG2 ARG A 58 7.428 -23.528 -34.758 1.00 1.34 H new ATOM 0 HG3 ARG A 58 7.782 -24.494 -33.340 1.00 1.34 H new ATOM 0 HD2 ARG A 58 6.396 -25.796 -34.833 1.00 20.12 H new ATOM 0 HD3 ARG A 58 5.469 -25.414 -33.396 1.00 20.12 H new ATOM 0 HE ARG A 58 5.074 -23.559 -35.652 1.00 55.23 H new ATOM 0 HH11 ARG A 58 3.928 -26.320 -33.769 1.00 50.34 H new ATOM 0 HH12 ARG A 58 2.336 -26.335 -34.535 1.00 50.34 H new ATOM 0 HH21 ARG A 58 3.054 -23.642 -36.697 1.00 2.11 H new ATOM 0 HH22 ARG A 58 1.843 -24.823 -36.188 1.00 2.11 H new ATOM 491 N LYS A 59 9.390 -23.422 -31.782 1.00 41.40 N ATOM 492 CA LYS A 59 10.282 -24.183 -30.919 1.00 4.54 C ATOM 493 C LYS A 59 11.138 -23.258 -30.060 1.00 12.45 C ATOM 494 O LYS A 59 11.291 -23.480 -28.861 1.00 63.14 O ATOM 495 CB LYS A 59 11.179 -25.106 -31.751 1.00 15.21 C ATOM 496 CG LYS A 59 10.482 -26.368 -32.233 1.00 31.42 C ATOM 497 CD LYS A 59 10.161 -27.297 -31.071 1.00 51.51 C ATOM 498 CE LYS A 59 9.389 -28.524 -31.522 1.00 14.34 C ATOM 499 NZ LYS A 59 9.037 -29.409 -30.376 1.00 64.31 N ATOM 0 H LYS A 59 9.683 -23.383 -32.758 1.00 41.40 H new ATOM 0 HA LYS A 59 9.665 -24.792 -30.258 1.00 4.54 H new ATOM 0 HB2 LYS A 59 11.550 -24.555 -32.615 1.00 15.21 H new ATOM 0 HB3 LYS A 59 12.047 -25.387 -31.155 1.00 15.21 H new ATOM 0 HG2 LYS A 59 9.562 -26.102 -32.754 1.00 31.42 H new ATOM 0 HG3 LYS A 59 11.117 -26.886 -32.951 1.00 31.42 H new ATOM 0 HD2 LYS A 59 11.088 -27.608 -30.589 1.00 51.51 H new ATOM 0 HD3 LYS A 59 9.579 -26.756 -30.324 1.00 51.51 H new ATOM 0 HE2 LYS A 59 8.478 -28.213 -32.034 1.00 14.34 H new ATOM 0 HE3 LYS A 59 9.985 -29.083 -32.243 1.00 14.34 H new ATOM 0 HZ1 LYS A 59 8.511 -30.236 -30.725 1.00 64.31 H new ATOM 0 HZ2 LYS A 59 9.907 -29.727 -29.903 1.00 64.31 H new ATOM 0 HZ3 LYS A 59 8.447 -28.883 -29.700 1.00 64.31 H new ATOM 513 N ASP A 60 11.670 -22.204 -30.673 1.00 53.43 N ATOM 514 CA ASP A 60 12.603 -21.311 -29.990 1.00 52.55 C ATOM 515 C ASP A 60 11.907 -20.462 -28.935 1.00 43.25 C ATOM 516 O ASP A 60 12.450 -20.239 -27.853 1.00 54.32 O ATOM 517 CB ASP A 60 13.318 -20.394 -30.989 1.00 14.02 C ATOM 518 CG ASP A 60 14.385 -21.108 -31.793 1.00 43.51 C ATOM 519 OD1 ASP A 60 15.472 -21.385 -31.236 1.00 71.10 O ATOM 520 OD2 ASP A 60 14.157 -21.379 -32.986 1.00 23.01 O ATOM 0 H ASP A 60 11.472 -21.947 -31.640 1.00 53.43 H new ATOM 0 HA ASP A 60 13.337 -21.946 -29.493 1.00 52.55 H new ATOM 0 HB2 ASP A 60 12.583 -19.966 -31.671 1.00 14.02 H new ATOM 0 HB3 ASP A 60 13.773 -19.563 -30.449 1.00 14.02 H new ATOM 525 N VAL A 61 10.698 -20.001 -29.241 1.00 21.20 N ATOM 526 CA VAL A 61 9.987 -19.094 -28.349 1.00 71.43 C ATOM 527 C VAL A 61 9.579 -19.799 -27.054 1.00 35.30 C ATOM 528 O VAL A 61 9.694 -19.232 -25.967 1.00 73.33 O ATOM 529 CB VAL A 61 8.748 -18.465 -29.038 1.00 22.14 C ATOM 530 CG1 VAL A 61 7.692 -19.509 -29.366 1.00 23.22 C ATOM 531 CG2 VAL A 61 8.157 -17.358 -28.183 1.00 51.52 C ATOM 0 H VAL A 61 10.193 -20.239 -30.095 1.00 21.20 H new ATOM 0 HA VAL A 61 10.675 -18.287 -28.099 1.00 71.43 H new ATOM 0 HB VAL A 61 9.087 -18.033 -29.980 1.00 22.14 H new ATOM 0 HG11 VAL A 61 6.841 -19.027 -29.847 1.00 23.22 H new ATOM 0 HG12 VAL A 61 8.115 -20.255 -30.039 1.00 23.22 H new ATOM 0 HG13 VAL A 61 7.362 -19.994 -28.447 1.00 23.22 H new ATOM 0 HG21 VAL A 61 7.289 -16.933 -28.687 1.00 51.52 H new ATOM 0 HG22 VAL A 61 7.852 -17.766 -27.219 1.00 51.52 H new ATOM 0 HG23 VAL A 61 8.904 -16.580 -28.028 1.00 51.52 H new ATOM 541 N GLN A 62 9.132 -21.046 -27.170 1.00 55.23 N ATOM 542 CA GLN A 62 8.709 -21.816 -26.008 1.00 32.45 C ATOM 543 C GLN A 62 9.915 -22.364 -25.257 1.00 65.12 C ATOM 544 O GLN A 62 9.828 -22.685 -24.073 1.00 11.42 O ATOM 545 CB GLN A 62 7.781 -22.956 -26.426 1.00 14.30 C ATOM 546 CG GLN A 62 6.510 -22.480 -27.109 1.00 74.15 C ATOM 547 CD GLN A 62 5.577 -23.617 -27.462 1.00 21.03 C ATOM 548 OE1 GLN A 62 4.696 -23.982 -26.682 1.00 41.14 O ATOM 549 NE2 GLN A 62 5.774 -24.194 -28.634 1.00 64.32 N ATOM 0 H GLN A 62 9.054 -21.543 -28.057 1.00 55.23 H new ATOM 0 HA GLN A 62 8.161 -21.150 -25.341 1.00 32.45 H new ATOM 0 HB2 GLN A 62 8.318 -23.624 -27.100 1.00 14.30 H new ATOM 0 HB3 GLN A 62 7.514 -23.539 -25.545 1.00 14.30 H new ATOM 0 HG2 GLN A 62 5.991 -21.779 -26.455 1.00 74.15 H new ATOM 0 HG3 GLN A 62 6.772 -21.935 -28.016 1.00 74.15 H new ATOM 0 HE21 GLN A 62 6.516 -23.859 -29.249 1.00 64.32 H new ATOM 0 HE22 GLN A 62 5.184 -24.974 -28.924 1.00 64.32 H new ATOM 558 N ALA A 63 11.039 -22.465 -25.952 1.00 33.55 N ATOM 559 CA ALA A 63 12.287 -22.890 -25.339 1.00 4.00 C ATOM 560 C ALA A 63 13.056 -21.684 -24.807 1.00 74.25 C ATOM 561 O ALA A 63 14.252 -21.763 -24.524 1.00 22.25 O ATOM 562 CB ALA A 63 13.128 -23.668 -26.340 1.00 24.11 C ATOM 0 H ALA A 63 11.111 -22.256 -26.948 1.00 33.55 H new ATOM 0 HA ALA A 63 12.059 -23.546 -24.499 1.00 4.00 H new ATOM 0 HB1 ALA A 63 14.060 -23.980 -25.868 1.00 24.11 H new ATOM 0 HB2 ALA A 63 12.577 -24.548 -26.672 1.00 24.11 H new ATOM 0 HB3 ALA A 63 13.351 -23.034 -27.198 1.00 24.11 H new ATOM 568 N CYS A 64 12.354 -20.569 -24.676 1.00 50.34 N ATOM 569 CA CYS A 64 12.935 -19.351 -24.141 1.00 2.13 C ATOM 570 C CYS A 64 12.040 -18.818 -23.023 1.00 30.12 C ATOM 571 O CYS A 64 11.032 -18.154 -23.282 1.00 65.14 O ATOM 572 CB CYS A 64 13.088 -18.313 -25.255 1.00 3.12 C ATOM 573 SG CYS A 64 14.291 -16.994 -24.902 1.00 63.32 S ATOM 0 H CYS A 64 11.371 -20.484 -24.936 1.00 50.34 H new ATOM 0 HA CYS A 64 13.924 -19.561 -23.734 1.00 2.13 H new ATOM 0 HB2 CYS A 64 13.387 -18.823 -26.171 1.00 3.12 H new ATOM 0 HB3 CYS A 64 12.116 -17.858 -25.446 1.00 3.12 H new ATOM 578 N ASP A 65 12.406 -19.124 -21.783 1.00 32.01 N ATOM 579 CA ASP A 65 11.554 -18.835 -20.632 1.00 50.04 C ATOM 580 C ASP A 65 11.503 -17.341 -20.338 1.00 15.43 C ATOM 581 O ASP A 65 10.423 -16.760 -20.234 1.00 24.25 O ATOM 582 CB ASP A 65 12.037 -19.598 -19.397 1.00 54.35 C ATOM 583 CG ASP A 65 11.111 -19.418 -18.211 1.00 73.43 C ATOM 584 OD1 ASP A 65 9.929 -19.812 -18.307 1.00 32.13 O ATOM 585 OD2 ASP A 65 11.557 -18.884 -17.174 1.00 74.00 O ATOM 0 H ASP A 65 13.290 -19.574 -21.547 1.00 32.01 H new ATOM 0 HA ASP A 65 10.545 -19.166 -20.879 1.00 50.04 H new ATOM 0 HB2 ASP A 65 12.116 -20.659 -19.636 1.00 54.35 H new ATOM 0 HB3 ASP A 65 13.037 -19.256 -19.130 1.00 54.35 H new ATOM 590 N LYS A 66 12.664 -16.711 -20.227 1.00 55.32 N ATOM 591 CA LYS A 66 12.704 -15.280 -19.994 1.00 55.03 C ATOM 592 C LYS A 66 13.118 -14.557 -21.269 1.00 4.30 C ATOM 593 O LYS A 66 14.300 -14.437 -21.597 1.00 23.13 O ATOM 594 CB LYS A 66 13.615 -14.904 -18.813 1.00 55.34 C ATOM 595 CG LYS A 66 15.069 -15.336 -18.949 1.00 34.42 C ATOM 596 CD LYS A 66 15.934 -14.709 -17.861 1.00 74.22 C ATOM 597 CE LYS A 66 15.977 -13.190 -17.983 1.00 62.33 C ATOM 598 NZ LYS A 66 16.836 -12.566 -16.938 1.00 1.54 N ATOM 0 H LYS A 66 13.576 -17.162 -20.294 1.00 55.32 H new ATOM 0 HA LYS A 66 11.700 -14.959 -19.718 1.00 55.03 H new ATOM 0 HB2 LYS A 66 13.585 -13.822 -18.683 1.00 55.34 H new ATOM 0 HB3 LYS A 66 13.205 -15.346 -17.905 1.00 55.34 H new ATOM 0 HG2 LYS A 66 15.136 -16.422 -18.889 1.00 34.42 H new ATOM 0 HG3 LYS A 66 15.447 -15.047 -19.930 1.00 34.42 H new ATOM 0 HD2 LYS A 66 15.544 -14.985 -16.881 1.00 74.22 H new ATOM 0 HD3 LYS A 66 16.946 -15.108 -17.925 1.00 74.22 H new ATOM 0 HE2 LYS A 66 16.351 -12.917 -18.970 1.00 62.33 H new ATOM 0 HE3 LYS A 66 14.965 -12.792 -17.905 1.00 62.33 H new ATOM 0 HZ1 LYS A 66 17.071 -11.592 -17.218 1.00 1.54 H new ATOM 0 HZ2 LYS A 66 16.326 -12.552 -16.032 1.00 1.54 H new ATOM 0 HZ3 LYS A 66 17.712 -13.117 -16.834 1.00 1.54 H new ATOM 612 N LYS A 67 12.122 -14.099 -22.004 1.00 70.13 N ATOM 613 CA LYS A 67 12.355 -13.414 -23.258 1.00 24.11 C ATOM 614 C LYS A 67 12.411 -11.914 -23.023 1.00 54.44 C ATOM 615 O LYS A 67 12.653 -11.134 -23.938 1.00 41.02 O ATOM 616 CB LYS A 67 11.268 -13.778 -24.273 1.00 5.33 C ATOM 617 CG LYS A 67 9.854 -13.673 -23.721 1.00 4.32 C ATOM 618 CD LYS A 67 8.816 -14.107 -24.745 1.00 33.32 C ATOM 619 CE LYS A 67 8.999 -15.561 -25.165 1.00 31.33 C ATOM 620 NZ LYS A 67 8.800 -16.513 -24.036 1.00 12.54 N ATOM 0 H LYS A 67 11.138 -14.191 -21.751 1.00 70.13 H new ATOM 0 HA LYS A 67 13.313 -13.732 -23.669 1.00 24.11 H new ATOM 0 HB2 LYS A 67 11.359 -13.124 -25.140 1.00 5.33 H new ATOM 0 HB3 LYS A 67 11.437 -14.796 -24.623 1.00 5.33 H new ATOM 0 HG2 LYS A 67 9.765 -14.292 -22.828 1.00 4.32 H new ATOM 0 HG3 LYS A 67 9.658 -12.645 -23.417 1.00 4.32 H new ATOM 0 HD2 LYS A 67 7.818 -13.973 -24.328 1.00 33.32 H new ATOM 0 HD3 LYS A 67 8.883 -13.465 -25.623 1.00 33.32 H new ATOM 0 HE2 LYS A 67 8.294 -15.796 -25.962 1.00 31.33 H new ATOM 0 HE3 LYS A 67 10.000 -15.694 -25.575 1.00 31.33 H new ATOM 0 HZ1 LYS A 67 9.691 -17.013 -23.842 1.00 12.54 H new ATOM 0 HZ2 LYS A 67 8.505 -15.989 -23.188 1.00 12.54 H new ATOM 0 HZ3 LYS A 67 8.064 -17.203 -24.289 1.00 12.54 H new ATOM 634 N TYR A 68 12.185 -11.518 -21.780 1.00 33.35 N ATOM 635 CA TYR A 68 12.343 -10.136 -21.374 1.00 64.24 C ATOM 636 C TYR A 68 12.891 -10.093 -19.962 1.00 31.15 C ATOM 637 O TYR A 68 12.499 -10.893 -19.110 1.00 21.14 O ATOM 638 CB TYR A 68 11.019 -9.364 -21.466 1.00 61.13 C ATOM 639 CG TYR A 68 10.569 -9.134 -22.890 1.00 42.53 C ATOM 640 CD1 TYR A 68 11.114 -8.110 -23.652 1.00 44.01 C ATOM 641 CD2 TYR A 68 9.619 -9.954 -23.478 1.00 62.35 C ATOM 642 CE1 TYR A 68 10.723 -7.911 -24.964 1.00 61.34 C ATOM 643 CE2 TYR A 68 9.221 -9.761 -24.784 1.00 12.22 C ATOM 644 CZ TYR A 68 9.775 -8.740 -25.525 1.00 62.51 C ATOM 645 OH TYR A 68 9.380 -8.556 -26.836 1.00 31.11 O ATOM 0 H TYR A 68 11.889 -12.143 -21.031 1.00 33.35 H new ATOM 0 HA TYR A 68 13.043 -9.651 -22.054 1.00 64.24 H new ATOM 0 HB2 TYR A 68 10.246 -9.915 -20.931 1.00 61.13 H new ATOM 0 HB3 TYR A 68 11.130 -8.402 -20.966 1.00 61.13 H new ATOM 0 HD1 TYR A 68 11.855 -7.458 -23.214 1.00 44.01 H new ATOM 0 HD2 TYR A 68 9.183 -10.758 -22.904 1.00 62.35 H new ATOM 0 HE1 TYR A 68 11.158 -7.111 -25.545 1.00 61.34 H new ATOM 0 HE2 TYR A 68 8.477 -10.408 -25.225 1.00 12.22 H new ATOM 0 HH TYR A 68 10.123 -8.179 -27.352 1.00 31.11 H new ATOM 655 N ASP A 69 13.816 -9.183 -19.729 1.00 51.44 N ATOM 656 CA ASP A 69 14.469 -9.084 -18.436 1.00 23.15 C ATOM 657 C ASP A 69 13.624 -8.253 -17.470 1.00 55.43 C ATOM 658 O ASP A 69 12.519 -7.827 -17.805 1.00 41.21 O ATOM 659 CB ASP A 69 15.875 -8.495 -18.578 1.00 2.34 C ATOM 660 CG ASP A 69 16.774 -8.872 -17.413 1.00 74.51 C ATOM 661 OD1 ASP A 69 17.384 -9.962 -17.456 1.00 41.03 O ATOM 662 OD2 ASP A 69 16.853 -8.094 -16.441 1.00 73.31 O ATOM 0 H ASP A 69 14.133 -8.501 -20.418 1.00 51.44 H new ATOM 0 HA ASP A 69 14.567 -10.089 -18.025 1.00 23.15 H new ATOM 0 HB2 ASP A 69 16.322 -8.846 -19.508 1.00 2.34 H new ATOM 0 HB3 ASP A 69 15.807 -7.409 -18.646 1.00 2.34 H new ATOM 667 N ASP A 70 14.169 -8.002 -16.293 1.00 4.13 N ATOM 668 CA ASP A 70 13.422 -7.341 -15.232 1.00 43.03 C ATOM 669 C ASP A 70 13.244 -5.864 -15.555 1.00 42.05 C ATOM 670 O ASP A 70 12.149 -5.319 -15.434 1.00 54.43 O ATOM 671 CB ASP A 70 14.113 -7.508 -13.884 1.00 42.11 C ATOM 672 CG ASP A 70 13.188 -7.150 -12.741 1.00 0.11 C ATOM 673 OD1 ASP A 70 12.252 -7.932 -12.470 1.00 21.53 O ATOM 674 OD2 ASP A 70 13.386 -6.094 -12.116 1.00 43.34 O ATOM 0 H ASP A 70 15.128 -8.246 -16.045 1.00 4.13 H new ATOM 0 HA ASP A 70 12.441 -7.811 -15.167 1.00 43.03 H new ATOM 0 HB2 ASP A 70 14.451 -8.538 -13.772 1.00 42.11 H new ATOM 0 HB3 ASP A 70 15.000 -6.876 -13.848 1.00 42.11 H new ATOM 679 N GLN A 71 14.332 -5.225 -15.986 1.00 12.54 N ATOM 680 CA GLN A 71 14.258 -3.848 -16.485 1.00 35.30 C ATOM 681 C GLN A 71 13.521 -3.776 -17.823 1.00 23.10 C ATOM 682 O GLN A 71 13.460 -2.716 -18.445 1.00 1.42 O ATOM 683 CB GLN A 71 15.658 -3.238 -16.670 1.00 53.43 C ATOM 684 CG GLN A 71 16.502 -3.125 -15.406 1.00 25.01 C ATOM 685 CD GLN A 71 17.210 -4.417 -15.050 1.00 50.44 C ATOM 686 OE1 GLN A 71 16.607 -5.204 -14.179 1.00 24.15 O flip ATOM 687 NE2 GLN A 71 18.305 -4.688 -15.540 1.00 14.32 N flip ATOM 0 H GLN A 71 15.267 -5.632 -16.001 1.00 12.54 H new ATOM 0 HA GLN A 71 13.709 -3.280 -15.734 1.00 35.30 H new ATOM 0 HB2 GLN A 71 16.204 -3.840 -17.396 1.00 53.43 H new ATOM 0 HB3 GLN A 71 15.547 -2.243 -17.101 1.00 53.43 H new ATOM 0 HG2 GLN A 71 17.242 -2.336 -15.539 1.00 25.01 H new ATOM 0 HG3 GLN A 71 15.864 -2.826 -14.575 1.00 25.01 H new ATOM 0 HE21 GLN A 71 18.736 -4.051 -16.210 1.00 14.32 H new ATOM 0 HE22 GLN A 71 18.783 -5.550 -15.276 1.00 14.32 H new ATOM 696 N GLY A 72 12.955 -4.896 -18.256 1.00 52.42 N ATOM 697 CA GLY A 72 12.202 -4.925 -19.493 1.00 11.25 C ATOM 698 C GLY A 72 13.093 -4.840 -20.714 1.00 22.04 C ATOM 699 O GLY A 72 12.733 -4.218 -21.713 1.00 60.35 O ATOM 0 H GLY A 72 13.006 -5.790 -17.768 1.00 52.42 H new ATOM 0 HA2 GLY A 72 11.617 -5.843 -19.537 1.00 11.25 H new ATOM 0 HA3 GLY A 72 11.495 -4.095 -19.504 1.00 11.25 H new ATOM 703 N ARG A 73 14.255 -5.475 -20.640 1.00 41.34 N ATOM 704 CA ARG A 73 15.210 -5.442 -21.741 1.00 1.40 C ATOM 705 C ARG A 73 15.226 -6.786 -22.458 1.00 3.30 C ATOM 706 O ARG A 73 14.777 -7.794 -21.906 1.00 14.43 O ATOM 707 CB ARG A 73 16.618 -5.103 -21.236 1.00 22.31 C ATOM 708 CG ARG A 73 16.696 -3.806 -20.442 1.00 60.33 C ATOM 709 CD ARG A 73 16.034 -2.645 -21.171 1.00 64.50 C ATOM 710 NE ARG A 73 16.548 -2.469 -22.528 1.00 24.45 N ATOM 711 CZ ARG A 73 15.796 -2.065 -23.554 1.00 30.15 C ATOM 712 NH1 ARG A 73 14.515 -1.768 -23.360 1.00 43.13 N ATOM 713 NH2 ARG A 73 16.322 -1.943 -24.768 1.00 63.03 N ATOM 0 H ARG A 73 14.559 -6.018 -19.832 1.00 41.34 H new ATOM 0 HA ARG A 73 14.899 -4.665 -22.439 1.00 1.40 H new ATOM 0 HB2 ARG A 73 16.976 -5.921 -20.611 1.00 22.31 H new ATOM 0 HB3 ARG A 73 17.292 -5.036 -22.090 1.00 22.31 H new ATOM 0 HG2 ARG A 73 16.216 -3.946 -19.473 1.00 60.33 H new ATOM 0 HG3 ARG A 73 17.741 -3.563 -20.248 1.00 60.33 H new ATOM 0 HD2 ARG A 73 14.958 -2.813 -21.213 1.00 64.50 H new ATOM 0 HD3 ARG A 73 16.192 -1.727 -20.604 1.00 64.50 H new ATOM 0 HE ARG A 73 17.534 -2.665 -22.700 1.00 24.45 H new ATOM 0 HH11 ARG A 73 14.108 -1.849 -22.428 1.00 43.13 H new ATOM 0 HH12 ARG A 73 13.939 -1.459 -24.143 1.00 43.13 H new ATOM 0 HH21 ARG A 73 17.307 -2.159 -24.921 1.00 63.03 H new ATOM 0 HH22 ARG A 73 15.741 -1.634 -25.547 1.00 63.03 H new ATOM 727 N GLU A 74 15.742 -6.796 -23.678 1.00 41.21 N ATOM 728 CA GLU A 74 15.807 -8.017 -24.468 1.00 3.20 C ATOM 729 C GLU A 74 17.023 -8.842 -24.076 1.00 2.45 C ATOM 730 O GLU A 74 18.109 -8.301 -23.863 1.00 74.44 O ATOM 731 CB GLU A 74 15.874 -7.692 -25.962 1.00 3.14 C ATOM 732 CG GLU A 74 14.628 -7.012 -26.498 1.00 72.35 C ATOM 733 CD GLU A 74 14.730 -6.702 -27.978 1.00 34.42 C ATOM 734 OE1 GLU A 74 14.596 -7.637 -28.798 1.00 74.55 O ATOM 735 OE2 GLU A 74 14.924 -5.521 -28.331 1.00 12.11 O ATOM 0 H GLU A 74 16.122 -5.972 -24.143 1.00 41.21 H new ATOM 0 HA GLU A 74 14.903 -8.593 -24.269 1.00 3.20 H new ATOM 0 HB2 GLU A 74 16.735 -7.049 -26.146 1.00 3.14 H new ATOM 0 HB3 GLU A 74 16.040 -8.615 -26.518 1.00 3.14 H new ATOM 0 HG2 GLU A 74 13.764 -7.653 -26.323 1.00 72.35 H new ATOM 0 HG3 GLU A 74 14.456 -6.087 -25.947 1.00 72.35 H new ATOM 742 N THR A 75 16.839 -10.148 -23.979 1.00 55.34 N ATOM 743 CA THR A 75 17.944 -11.049 -23.712 1.00 31.43 C ATOM 744 C THR A 75 18.609 -11.461 -25.022 1.00 52.21 C ATOM 745 O THR A 75 18.146 -11.086 -26.103 1.00 43.32 O ATOM 746 CB THR A 75 17.467 -12.305 -22.953 1.00 52.10 C ATOM 747 OG1 THR A 75 16.376 -12.920 -23.656 1.00 2.21 O ATOM 748 CG2 THR A 75 17.033 -11.950 -21.536 1.00 61.42 C ATOM 0 H THR A 75 15.934 -10.607 -24.081 1.00 55.34 H new ATOM 0 HA THR A 75 18.665 -10.523 -23.086 1.00 31.43 H new ATOM 0 HB THR A 75 18.300 -13.006 -22.895 1.00 52.10 H new ATOM 0 HG1 THR A 75 15.773 -13.348 -23.013 1.00 2.21 H new ATOM 0 HG21 THR A 75 16.701 -12.851 -21.021 1.00 61.42 H new ATOM 0 HG22 THR A 75 17.873 -11.513 -20.997 1.00 61.42 H new ATOM 0 HG23 THR A 75 16.214 -11.232 -21.575 1.00 61.42 H new ATOM 756 N ALA A 76 19.695 -12.218 -24.938 1.00 61.35 N ATOM 757 CA ALA A 76 20.364 -12.707 -26.135 1.00 64.23 C ATOM 758 C ALA A 76 19.456 -13.674 -26.885 1.00 33.20 C ATOM 759 O ALA A 76 19.459 -13.722 -28.117 1.00 35.34 O ATOM 760 CB ALA A 76 21.682 -13.371 -25.776 1.00 1.13 C ATOM 0 H ALA A 76 20.128 -12.505 -24.060 1.00 61.35 H new ATOM 0 HA ALA A 76 20.580 -11.860 -26.787 1.00 64.23 H new ATOM 0 HB1 ALA A 76 22.168 -13.730 -26.683 1.00 1.13 H new ATOM 0 HB2 ALA A 76 22.330 -12.649 -25.279 1.00 1.13 H new ATOM 0 HB3 ALA A 76 21.496 -14.211 -25.107 1.00 1.13 H new ATOM 766 N CYS A 77 18.663 -14.421 -26.130 1.00 23.32 N ATOM 767 CA CYS A 77 17.703 -15.351 -26.705 1.00 0.12 C ATOM 768 C CYS A 77 16.570 -14.583 -27.373 1.00 10.41 C ATOM 769 O CYS A 77 16.218 -14.847 -28.526 1.00 60.41 O ATOM 770 CB CYS A 77 17.154 -16.279 -25.612 1.00 11.01 C ATOM 771 SG CYS A 77 15.828 -17.398 -26.166 1.00 71.53 S ATOM 0 H CYS A 77 18.667 -14.400 -25.110 1.00 23.32 H new ATOM 0 HA CYS A 77 18.202 -15.959 -27.460 1.00 0.12 H new ATOM 0 HB2 CYS A 77 17.974 -16.877 -25.215 1.00 11.01 H new ATOM 0 HB3 CYS A 77 16.778 -15.669 -24.791 1.00 11.01 H new ATOM 776 N ALA A 78 16.019 -13.616 -26.645 1.00 34.42 N ATOM 777 CA ALA A 78 14.955 -12.765 -27.161 1.00 14.54 C ATOM 778 C ALA A 78 15.353 -12.082 -28.460 1.00 11.12 C ATOM 779 O ALA A 78 14.538 -11.956 -29.377 1.00 24.24 O ATOM 780 CB ALA A 78 14.569 -11.725 -26.128 1.00 45.01 C ATOM 0 H ALA A 78 16.296 -13.402 -25.687 1.00 34.42 H new ATOM 0 HA ALA A 78 14.098 -13.405 -27.372 1.00 14.54 H new ATOM 0 HB1 ALA A 78 13.773 -11.095 -26.526 1.00 45.01 H new ATOM 0 HB2 ALA A 78 14.220 -12.223 -25.223 1.00 45.01 H new ATOM 0 HB3 ALA A 78 15.436 -11.108 -25.891 1.00 45.01 H new ATOM 786 N LYS A 79 16.613 -11.682 -28.561 1.00 15.33 N ATOM 787 CA LYS A 79 17.076 -10.963 -29.732 1.00 11.51 C ATOM 788 C LYS A 79 17.399 -11.964 -30.832 1.00 1.22 C ATOM 789 O LYS A 79 17.362 -11.649 -32.014 1.00 3.11 O ATOM 790 CB LYS A 79 18.304 -10.108 -29.396 1.00 4.12 C ATOM 791 CG LYS A 79 18.858 -9.345 -30.587 1.00 50.31 C ATOM 792 CD LYS A 79 20.022 -8.457 -30.190 1.00 1.34 C ATOM 793 CE LYS A 79 20.650 -7.791 -31.402 1.00 71.44 C ATOM 794 NZ LYS A 79 19.666 -6.987 -32.179 1.00 73.30 N ATOM 0 H LYS A 79 17.326 -11.843 -27.850 1.00 15.33 H new ATOM 0 HA LYS A 79 16.291 -10.289 -30.076 1.00 11.51 H new ATOM 0 HB2 LYS A 79 18.039 -9.399 -28.612 1.00 4.12 H new ATOM 0 HB3 LYS A 79 19.085 -10.752 -28.992 1.00 4.12 H new ATOM 0 HG2 LYS A 79 19.182 -10.050 -31.352 1.00 50.31 H new ATOM 0 HG3 LYS A 79 18.069 -8.736 -31.028 1.00 50.31 H new ATOM 0 HD2 LYS A 79 19.678 -7.694 -29.491 1.00 1.34 H new ATOM 0 HD3 LYS A 79 20.773 -9.051 -29.669 1.00 1.34 H new ATOM 0 HE2 LYS A 79 21.467 -7.146 -31.077 1.00 71.44 H new ATOM 0 HE3 LYS A 79 21.084 -8.554 -32.049 1.00 71.44 H new ATOM 0 HZ1 LYS A 79 20.172 -6.345 -32.821 1.00 73.30 H new ATOM 0 HZ2 LYS A 79 19.059 -7.623 -32.734 1.00 73.30 H new ATOM 0 HZ3 LYS A 79 19.079 -6.431 -31.525 1.00 73.30 H new ATOM 808 N GLY A 80 17.671 -13.195 -30.419 1.00 44.45 N ATOM 809 CA GLY A 80 18.050 -14.232 -31.357 1.00 2.22 C ATOM 810 C GLY A 80 16.865 -14.681 -32.172 1.00 61.21 C ATOM 811 O GLY A 80 16.990 -15.011 -33.351 1.00 33.12 O ATOM 0 H GLY A 80 17.635 -13.494 -29.445 1.00 44.45 H new ATOM 0 HA2 GLY A 80 18.832 -13.860 -32.019 1.00 2.22 H new ATOM 0 HA3 GLY A 80 18.467 -15.082 -30.817 1.00 2.22 H new ATOM 815 N ILE A 81 15.701 -14.668 -31.538 1.00 73.24 N ATOM 816 CA ILE A 81 14.457 -14.945 -32.226 1.00 41.22 C ATOM 817 C ILE A 81 14.121 -13.748 -33.102 1.00 1.00 C ATOM 818 O ILE A 81 13.754 -13.890 -34.268 1.00 1.54 O ATOM 819 CB ILE A 81 13.311 -15.197 -31.215 1.00 44.12 C ATOM 820 CG1 ILE A 81 13.669 -16.367 -30.290 1.00 62.21 C ATOM 821 CG2 ILE A 81 11.996 -15.470 -31.938 1.00 51.44 C ATOM 822 CD1 ILE A 81 12.660 -16.604 -29.184 1.00 51.25 C ATOM 0 H ILE A 81 15.597 -14.467 -30.543 1.00 73.24 H new ATOM 0 HA ILE A 81 14.569 -15.843 -32.834 1.00 41.22 H new ATOM 0 HB ILE A 81 13.183 -14.299 -30.611 1.00 44.12 H new ATOM 0 HG12 ILE A 81 13.760 -17.275 -30.887 1.00 62.21 H new ATOM 0 HG13 ILE A 81 14.646 -16.179 -29.844 1.00 62.21 H new ATOM 0 HG21 ILE A 81 11.207 -15.644 -31.206 1.00 51.44 H new ATOM 0 HG22 ILE A 81 11.735 -14.610 -32.555 1.00 51.44 H new ATOM 0 HG23 ILE A 81 12.105 -16.351 -32.570 1.00 51.44 H new ATOM 0 HD11 ILE A 81 12.982 -17.447 -28.572 1.00 51.25 H new ATOM 0 HD12 ILE A 81 12.585 -15.712 -28.562 1.00 51.25 H new ATOM 0 HD13 ILE A 81 11.686 -16.824 -29.621 1.00 51.25 H new ATOM 834 N ARG A 82 14.286 -12.562 -32.517 1.00 70.31 N ATOM 835 CA ARG A 82 14.073 -11.299 -33.211 1.00 50.02 C ATOM 836 C ARG A 82 14.871 -11.234 -34.516 1.00 62.10 C ATOM 837 O ARG A 82 14.345 -10.828 -35.542 1.00 13.22 O ATOM 838 CB ARG A 82 14.484 -10.134 -32.304 1.00 43.24 C ATOM 839 CG ARG A 82 13.984 -8.779 -32.776 1.00 72.24 C ATOM 840 CD ARG A 82 12.810 -8.304 -31.935 1.00 34.42 C ATOM 841 NE ARG A 82 13.189 -7.227 -31.017 1.00 14.24 N ATOM 842 CZ ARG A 82 12.706 -5.982 -31.075 1.00 3.15 C ATOM 843 NH1 ARG A 82 11.812 -5.649 -32.002 1.00 1.02 N ATOM 844 NH2 ARG A 82 13.115 -5.067 -30.205 1.00 42.24 N ATOM 0 H ARG A 82 14.572 -12.453 -31.544 1.00 70.31 H new ATOM 0 HA ARG A 82 13.013 -11.226 -33.455 1.00 50.02 H new ATOM 0 HB2 ARG A 82 14.107 -10.319 -31.298 1.00 43.24 H new ATOM 0 HB3 ARG A 82 15.572 -10.105 -32.236 1.00 43.24 H new ATOM 0 HG2 ARG A 82 14.793 -8.050 -32.721 1.00 72.24 H new ATOM 0 HG3 ARG A 82 13.683 -8.843 -33.822 1.00 72.24 H new ATOM 0 HD2 ARG A 82 12.012 -7.956 -32.591 1.00 34.42 H new ATOM 0 HD3 ARG A 82 12.411 -9.142 -31.364 1.00 34.42 H new ATOM 0 HE ARG A 82 13.866 -7.441 -30.285 1.00 14.24 H new ATOM 0 HH11 ARG A 82 11.491 -6.346 -32.674 1.00 1.02 H new ATOM 0 HH12 ARG A 82 11.448 -4.697 -32.040 1.00 1.02 H new ATOM 0 HH21 ARG A 82 13.799 -5.313 -29.490 1.00 42.24 H new ATOM 0 HH22 ARG A 82 12.745 -4.118 -30.251 1.00 42.24 H new ATOM 858 N GLU A 83 16.140 -11.624 -34.466 1.00 3.21 N ATOM 859 CA GLU A 83 17.017 -11.530 -35.632 1.00 23.13 C ATOM 860 C GLU A 83 16.667 -12.556 -36.708 1.00 33.15 C ATOM 861 O GLU A 83 16.675 -12.243 -37.901 1.00 2.11 O ATOM 862 CB GLU A 83 18.483 -11.697 -35.232 1.00 33.32 C ATOM 863 CG GLU A 83 19.001 -10.604 -34.311 1.00 1.51 C ATOM 864 CD GLU A 83 18.739 -9.211 -34.844 1.00 4.41 C ATOM 865 OE1 GLU A 83 18.947 -8.983 -36.058 1.00 13.51 O ATOM 866 OE2 GLU A 83 18.333 -8.340 -34.048 1.00 2.34 O ATOM 0 H GLU A 83 16.586 -12.008 -33.633 1.00 3.21 H new ATOM 0 HA GLU A 83 16.864 -10.535 -36.050 1.00 23.13 H new ATOM 0 HB2 GLU A 83 18.607 -12.662 -34.740 1.00 33.32 H new ATOM 0 HB3 GLU A 83 19.095 -11.718 -36.134 1.00 33.32 H new ATOM 0 HG2 GLU A 83 18.532 -10.707 -33.333 1.00 1.51 H new ATOM 0 HG3 GLU A 83 20.073 -10.736 -34.166 1.00 1.51 H new ATOM 873 N LYS A 84 16.369 -13.777 -36.299 1.00 61.15 N ATOM 874 CA LYS A 84 16.134 -14.849 -37.256 1.00 55.13 C ATOM 875 C LYS A 84 14.736 -14.775 -37.858 1.00 23.45 C ATOM 876 O LYS A 84 14.561 -14.964 -39.061 1.00 31.33 O ATOM 877 CB LYS A 84 16.333 -16.214 -36.597 1.00 72.02 C ATOM 878 CG LYS A 84 17.760 -16.484 -36.149 1.00 5.21 C ATOM 879 CD LYS A 84 17.892 -17.879 -35.560 1.00 15.54 C ATOM 880 CE LYS A 84 17.538 -18.951 -36.581 1.00 74.33 C ATOM 881 NZ LYS A 84 17.510 -20.308 -35.979 1.00 43.13 N ATOM 0 H LYS A 84 16.284 -14.051 -35.320 1.00 61.15 H new ATOM 0 HA LYS A 84 16.860 -14.724 -38.060 1.00 55.13 H new ATOM 0 HB2 LYS A 84 15.672 -16.288 -35.733 1.00 72.02 H new ATOM 0 HB3 LYS A 84 16.030 -16.992 -37.298 1.00 72.02 H new ATOM 0 HG2 LYS A 84 18.437 -16.378 -36.997 1.00 5.21 H new ATOM 0 HG3 LYS A 84 18.059 -15.743 -35.408 1.00 5.21 H new ATOM 0 HD2 LYS A 84 18.913 -18.032 -35.209 1.00 15.54 H new ATOM 0 HD3 LYS A 84 17.239 -17.972 -34.692 1.00 15.54 H new ATOM 0 HE2 LYS A 84 16.564 -18.728 -37.017 1.00 74.33 H new ATOM 0 HE3 LYS A 84 18.264 -18.930 -37.394 1.00 74.33 H new ATOM 0 HZ1 LYS A 84 17.723 -21.017 -36.710 1.00 43.13 H new ATOM 0 HZ2 LYS A 84 18.221 -20.367 -35.222 1.00 43.13 H new ATOM 0 HZ3 LYS A 84 16.567 -20.492 -35.582 1.00 43.13 H new ATOM 895 N TYR A 85 13.747 -14.481 -37.028 1.00 10.13 N ATOM 896 CA TYR A 85 12.355 -14.598 -37.442 1.00 64.31 C ATOM 897 C TYR A 85 11.671 -13.234 -37.473 1.00 22.30 C ATOM 898 O TYR A 85 10.464 -13.131 -37.262 1.00 54.24 O ATOM 899 CB TYR A 85 11.623 -15.554 -36.491 1.00 42.24 C ATOM 900 CG TYR A 85 12.441 -16.780 -36.138 1.00 1.11 C ATOM 901 CD1 TYR A 85 12.687 -17.777 -37.072 1.00 35.11 C ATOM 902 CD2 TYR A 85 12.993 -16.922 -34.874 1.00 41.12 C ATOM 903 CE1 TYR A 85 13.454 -18.882 -36.751 1.00 3.34 C ATOM 904 CE2 TYR A 85 13.764 -18.019 -34.544 1.00 23.31 C ATOM 905 CZ TYR A 85 13.992 -18.998 -35.486 1.00 20.52 C ATOM 906 OH TYR A 85 14.770 -20.091 -35.167 1.00 71.25 O ATOM 0 H TYR A 85 13.880 -14.161 -36.069 1.00 10.13 H new ATOM 0 HA TYR A 85 12.320 -15.000 -38.455 1.00 64.31 H new ATOM 0 HB2 TYR A 85 11.365 -15.021 -35.576 1.00 42.24 H new ATOM 0 HB3 TYR A 85 10.687 -15.869 -36.951 1.00 42.24 H new ATOM 0 HD1 TYR A 85 12.273 -17.688 -38.065 1.00 35.11 H new ATOM 0 HD2 TYR A 85 12.816 -16.158 -34.131 1.00 41.12 H new ATOM 0 HE1 TYR A 85 13.631 -19.651 -37.488 1.00 3.34 H new ATOM 0 HE2 TYR A 85 14.186 -18.109 -33.554 1.00 23.31 H new ATOM 0 HH TYR A 85 14.324 -20.618 -34.471 1.00 71.25 H new ATOM 916 N LYS A 86 12.446 -12.197 -37.774 1.00 3.45 N ATOM 917 CA LYS A 86 11.922 -10.836 -37.837 1.00 33.22 C ATOM 918 C LYS A 86 10.980 -10.666 -39.024 1.00 35.02 C ATOM 919 O LYS A 86 11.067 -11.407 -40.008 1.00 11.11 O ATOM 920 CB LYS A 86 13.069 -9.818 -37.952 1.00 75.30 C ATOM 921 CG LYS A 86 13.869 -9.924 -39.245 1.00 54.21 C ATOM 922 CD LYS A 86 15.104 -9.021 -39.237 1.00 73.32 C ATOM 923 CE LYS A 86 15.991 -9.290 -38.030 1.00 2.44 C ATOM 924 NZ LYS A 86 17.316 -8.615 -38.132 1.00 2.50 N ATOM 0 H LYS A 86 13.442 -12.273 -37.979 1.00 3.45 H new ATOM 0 HA LYS A 86 11.368 -10.655 -36.916 1.00 33.22 H new ATOM 0 HB2 LYS A 86 12.657 -8.812 -37.874 1.00 75.30 H new ATOM 0 HB3 LYS A 86 13.745 -9.952 -37.107 1.00 75.30 H new ATOM 0 HG2 LYS A 86 14.178 -10.958 -39.395 1.00 54.21 H new ATOM 0 HG3 LYS A 86 13.231 -9.657 -40.088 1.00 54.21 H new ATOM 0 HD2 LYS A 86 15.676 -9.179 -40.151 1.00 73.32 H new ATOM 0 HD3 LYS A 86 14.791 -7.977 -39.233 1.00 73.32 H new ATOM 0 HE2 LYS A 86 15.483 -8.951 -37.127 1.00 2.44 H new ATOM 0 HE3 LYS A 86 16.142 -10.365 -37.926 1.00 2.44 H new ATOM 0 HZ1 LYS A 86 17.762 -8.582 -37.193 1.00 2.50 H new ATOM 0 HZ2 LYS A 86 17.926 -9.145 -38.787 1.00 2.50 H new ATOM 0 HZ3 LYS A 86 17.186 -7.646 -38.487 1.00 2.50 H new ATOM 938 N PRO A 87 10.052 -9.703 -38.937 1.00 70.33 N ATOM 939 CA PRO A 87 9.249 -9.293 -40.082 1.00 45.32 C ATOM 940 C PRO A 87 10.105 -8.523 -41.083 1.00 2.14 C ATOM 941 O PRO A 87 11.181 -8.030 -40.737 1.00 11.25 O ATOM 942 CB PRO A 87 8.180 -8.384 -39.468 1.00 64.43 C ATOM 943 CG PRO A 87 8.802 -7.857 -38.223 1.00 11.02 C ATOM 944 CD PRO A 87 9.707 -8.947 -37.717 1.00 5.03 C ATOM 0 HA PRO A 87 8.822 -10.134 -40.628 1.00 45.32 H new ATOM 0 HB2 PRO A 87 7.909 -7.576 -40.148 1.00 64.43 H new ATOM 0 HB3 PRO A 87 7.267 -8.938 -39.251 1.00 64.43 H new ATOM 0 HG2 PRO A 87 9.364 -6.945 -38.424 1.00 11.02 H new ATOM 0 HG3 PRO A 87 8.042 -7.606 -37.483 1.00 11.02 H new ATOM 0 HD2 PRO A 87 10.595 -8.539 -37.233 1.00 5.03 H new ATOM 0 HD3 PRO A 87 9.205 -9.577 -36.983 1.00 5.03 H new ATOM 952 N ALA A 88 9.645 -8.429 -42.317 1.00 41.54 N ATOM 953 CA ALA A 88 10.392 -7.726 -43.346 1.00 52.05 C ATOM 954 C ALA A 88 10.357 -6.218 -43.123 1.00 32.52 C ATOM 955 O ALA A 88 9.423 -5.531 -43.544 1.00 42.40 O ATOM 956 CB ALA A 88 9.855 -8.076 -44.719 1.00 24.52 C ATOM 0 H ALA A 88 8.761 -8.829 -42.631 1.00 41.54 H new ATOM 0 HA ALA A 88 11.432 -8.046 -43.286 1.00 52.05 H new ATOM 0 HB1 ALA A 88 10.425 -7.542 -45.479 1.00 24.52 H new ATOM 0 HB2 ALA A 88 9.948 -9.150 -44.883 1.00 24.52 H new ATOM 0 HB3 ALA A 88 8.805 -7.789 -44.783 1.00 24.52 H new ATOM 962 N VAL A 89 11.379 -5.726 -42.442 1.00 54.24 N ATOM 963 CA VAL A 89 11.544 -4.306 -42.165 1.00 41.41 C ATOM 964 C VAL A 89 13.026 -3.950 -42.217 1.00 62.23 C ATOM 965 O VAL A 89 13.883 -4.819 -42.050 1.00 33.13 O ATOM 966 CB VAL A 89 10.968 -3.899 -40.787 1.00 15.41 C ATOM 967 CG1 VAL A 89 9.448 -3.892 -40.813 1.00 65.32 C ATOM 968 CG2 VAL A 89 11.476 -4.825 -39.695 1.00 43.44 C ATOM 0 H VAL A 89 12.126 -6.307 -42.061 1.00 54.24 H new ATOM 0 HA VAL A 89 10.988 -3.759 -42.926 1.00 41.41 H new ATOM 0 HB VAL A 89 11.310 -2.888 -40.567 1.00 15.41 H new ATOM 0 HG11 VAL A 89 9.069 -3.603 -39.833 1.00 65.32 H new ATOM 0 HG12 VAL A 89 9.100 -3.180 -41.561 1.00 65.32 H new ATOM 0 HG13 VAL A 89 9.084 -4.888 -41.063 1.00 65.32 H new ATOM 0 HG21 VAL A 89 11.058 -4.520 -38.736 1.00 43.44 H new ATOM 0 HG22 VAL A 89 11.171 -5.848 -39.915 1.00 43.44 H new ATOM 0 HG23 VAL A 89 12.564 -4.772 -39.650 1.00 43.44 H new ATOM 978 N VAL A 90 13.326 -2.683 -42.461 1.00 30.12 N ATOM 979 CA VAL A 90 14.710 -2.253 -42.627 1.00 72.34 C ATOM 980 C VAL A 90 15.396 -1.959 -41.291 1.00 1.53 C ATOM 981 O VAL A 90 15.016 -1.040 -40.562 1.00 73.02 O ATOM 982 CB VAL A 90 14.815 -1.020 -43.556 1.00 34.20 C ATOM 983 CG1 VAL A 90 14.528 -1.420 -44.993 1.00 24.15 C ATOM 984 CG2 VAL A 90 13.862 0.083 -43.121 1.00 23.32 C ATOM 0 H VAL A 90 12.636 -1.937 -42.548 1.00 30.12 H new ATOM 0 HA VAL A 90 15.231 -3.089 -43.093 1.00 72.34 H new ATOM 0 HB VAL A 90 15.832 -0.634 -43.487 1.00 34.20 H new ATOM 0 HG11 VAL A 90 14.605 -0.544 -45.637 1.00 24.15 H new ATOM 0 HG12 VAL A 90 15.251 -2.170 -45.313 1.00 24.15 H new ATOM 0 HG13 VAL A 90 13.522 -1.833 -45.062 1.00 24.15 H new ATOM 0 HG21 VAL A 90 13.960 0.935 -43.794 1.00 23.32 H new ATOM 0 HG22 VAL A 90 12.838 -0.288 -43.152 1.00 23.32 H new ATOM 0 HG23 VAL A 90 14.104 0.394 -42.105 1.00 23.32 H new ATOM 994 N TYR A 91 16.394 -2.775 -40.973 1.00 55.23 N ATOM 995 CA TYR A 91 17.237 -2.564 -39.804 1.00 51.22 C ATOM 996 C TYR A 91 18.705 -2.655 -40.199 1.00 10.31 C ATOM 997 O TYR A 91 19.031 -2.912 -41.357 1.00 4.54 O ATOM 998 CB TYR A 91 16.950 -3.604 -38.715 1.00 3.23 C ATOM 999 CG TYR A 91 15.663 -3.386 -37.953 1.00 62.05 C ATOM 1000 CD1 TYR A 91 15.391 -2.170 -37.345 1.00 44.43 C ATOM 1001 CD2 TYR A 91 14.732 -4.408 -37.822 1.00 15.41 C ATOM 1002 CE1 TYR A 91 14.229 -1.973 -36.627 1.00 22.44 C ATOM 1003 CE2 TYR A 91 13.564 -4.219 -37.108 1.00 33.40 C ATOM 1004 CZ TYR A 91 13.317 -3.000 -36.512 1.00 11.34 C ATOM 1005 OH TYR A 91 12.159 -2.808 -35.796 1.00 63.11 O ATOM 0 H TYR A 91 16.641 -3.601 -41.518 1.00 55.23 H new ATOM 0 HA TYR A 91 17.015 -1.573 -39.409 1.00 51.22 H new ATOM 0 HB2 TYR A 91 16.921 -4.592 -39.175 1.00 3.23 H new ATOM 0 HB3 TYR A 91 17.779 -3.606 -38.007 1.00 3.23 H new ATOM 0 HD1 TYR A 91 16.102 -1.362 -37.435 1.00 44.43 H new ATOM 0 HD2 TYR A 91 14.924 -5.365 -38.285 1.00 15.41 H new ATOM 0 HE1 TYR A 91 14.035 -1.020 -36.158 1.00 22.44 H new ATOM 0 HE2 TYR A 91 12.848 -5.022 -37.017 1.00 33.40 H new ATOM 0 HH TYR A 91 11.624 -3.629 -35.813 1.00 63.11 H new ATOM 1015 N GLY A 92 19.585 -2.450 -39.230 1.00 11.24 N ATOM 1016 CA GLY A 92 21.003 -2.597 -39.482 1.00 54.13 C ATOM 1017 C GLY A 92 21.488 -3.995 -39.155 1.00 3.53 C ATOM 1018 O GLY A 92 20.698 -4.850 -38.756 1.00 12.43 O ATOM 0 H GLY A 92 19.343 -2.185 -38.275 1.00 11.24 H new ATOM 0 HA2 GLY A 92 21.212 -2.375 -40.529 1.00 54.13 H new ATOM 0 HA3 GLY A 92 21.556 -1.871 -38.886 1.00 54.13 H new ATOM 1022 N TYR A 93 22.787 -4.226 -39.291 1.00 60.11 N ATOM 1023 CA TYR A 93 23.365 -5.542 -39.015 1.00 1.11 C ATOM 1024 C TYR A 93 23.436 -5.788 -37.509 1.00 74.23 C ATOM 1025 O TYR A 93 23.787 -6.876 -37.055 1.00 3.55 O ATOM 1026 CB TYR A 93 24.756 -5.671 -39.650 1.00 2.33 C ATOM 1027 CG TYR A 93 25.804 -4.742 -39.067 1.00 72.41 C ATOM 1028 CD1 TYR A 93 25.875 -3.407 -39.451 1.00 65.53 C ATOM 1029 CD2 TYR A 93 26.729 -5.208 -38.140 1.00 1.14 C ATOM 1030 CE1 TYR A 93 26.836 -2.566 -38.927 1.00 1.10 C ATOM 1031 CE2 TYR A 93 27.689 -4.371 -37.612 1.00 12.34 C ATOM 1032 CZ TYR A 93 27.739 -3.053 -38.007 1.00 20.13 C ATOM 1033 OH TYR A 93 28.703 -2.222 -37.487 1.00 64.21 O ATOM 0 H TYR A 93 23.463 -3.523 -39.590 1.00 60.11 H new ATOM 0 HA TYR A 93 22.719 -6.299 -39.459 1.00 1.11 H new ATOM 0 HB2 TYR A 93 25.098 -6.700 -39.538 1.00 2.33 H new ATOM 0 HB3 TYR A 93 24.672 -5.478 -40.719 1.00 2.33 H new ATOM 0 HD1 TYR A 93 25.167 -3.022 -40.170 1.00 65.53 H new ATOM 0 HD2 TYR A 93 26.695 -6.242 -37.829 1.00 1.14 H new ATOM 0 HE1 TYR A 93 26.880 -1.532 -39.236 1.00 1.10 H new ATOM 0 HE2 TYR A 93 28.399 -4.748 -36.891 1.00 12.34 H new ATOM 0 HH TYR A 93 29.258 -2.722 -36.852 1.00 64.21 H new ATOM 1043 N ASP A 94 23.103 -4.761 -36.744 1.00 2.11 N ATOM 1044 CA ASP A 94 23.068 -4.858 -35.289 1.00 21.12 C ATOM 1045 C ASP A 94 21.698 -5.354 -34.831 1.00 1.01 C ATOM 1046 O ASP A 94 21.523 -5.755 -33.685 1.00 64.44 O ATOM 1047 CB ASP A 94 23.369 -3.489 -34.664 1.00 21.22 C ATOM 1048 CG ASP A 94 23.406 -3.517 -33.146 1.00 30.44 C ATOM 1049 OD1 ASP A 94 24.489 -3.770 -32.578 1.00 54.52 O ATOM 1050 OD2 ASP A 94 22.360 -3.264 -32.512 1.00 51.44 O ATOM 0 H ASP A 94 22.851 -3.842 -37.108 1.00 2.11 H new ATOM 0 HA ASP A 94 23.827 -5.569 -34.963 1.00 21.12 H new ATOM 0 HB2 ASP A 94 24.328 -3.130 -35.037 1.00 21.22 H new ATOM 0 HB3 ASP A 94 22.613 -2.775 -34.989 1.00 21.22 H new ATOM 1055 N GLY A 95 20.734 -5.351 -35.748 1.00 31.13 N ATOM 1056 CA GLY A 95 19.364 -5.660 -35.379 1.00 14.33 C ATOM 1057 C GLY A 95 18.717 -4.487 -34.678 1.00 52.14 C ATOM 1058 O GLY A 95 17.877 -4.651 -33.796 1.00 13.10 O ATOM 0 H GLY A 95 20.876 -5.141 -36.736 1.00 31.13 H new ATOM 0 HA2 GLY A 95 18.792 -5.917 -36.271 1.00 14.33 H new ATOM 0 HA3 GLY A 95 19.347 -6.533 -34.727 1.00 14.33 H new ATOM 1062 N LYS A 96 19.134 -3.297 -35.079 1.00 75.11 N ATOM 1063 CA LYS A 96 18.680 -2.059 -34.475 1.00 31.54 C ATOM 1064 C LYS A 96 18.352 -1.073 -35.594 1.00 0.03 C ATOM 1065 O LYS A 96 18.914 -1.192 -36.684 1.00 72.30 O ATOM 1066 CB LYS A 96 19.791 -1.528 -33.551 1.00 34.52 C ATOM 1067 CG LYS A 96 19.404 -0.328 -32.703 1.00 65.55 C ATOM 1068 CD LYS A 96 20.370 -0.129 -31.545 1.00 34.12 C ATOM 1069 CE LYS A 96 21.799 0.082 -32.023 1.00 13.31 C ATOM 1070 NZ LYS A 96 22.758 0.096 -30.888 1.00 54.12 N ATOM 0 H LYS A 96 19.802 -3.164 -35.838 1.00 75.11 H new ATOM 0 HA LYS A 96 17.783 -2.209 -33.874 1.00 31.54 H new ATOM 0 HB2 LYS A 96 20.108 -2.334 -32.889 1.00 34.52 H new ATOM 0 HB3 LYS A 96 20.653 -1.259 -34.162 1.00 34.52 H new ATOM 0 HG2 LYS A 96 19.389 0.568 -33.324 1.00 65.55 H new ATOM 0 HG3 LYS A 96 18.394 -0.465 -32.316 1.00 65.55 H new ATOM 0 HD2 LYS A 96 20.055 0.731 -30.954 1.00 34.12 H new ATOM 0 HD3 LYS A 96 20.332 -0.998 -30.888 1.00 34.12 H new ATOM 0 HE2 LYS A 96 22.071 -0.710 -32.720 1.00 13.31 H new ATOM 0 HE3 LYS A 96 21.866 1.023 -32.568 1.00 13.31 H new ATOM 0 HZ1 LYS A 96 23.722 0.242 -31.250 1.00 54.12 H new ATOM 0 HZ2 LYS A 96 22.513 0.868 -30.236 1.00 54.12 H new ATOM 0 HZ3 LYS A 96 22.711 -0.812 -30.383 1.00 54.12 H new ATOM 1084 N PRO A 97 17.406 -0.139 -35.383 1.00 33.53 N ATOM 1085 CA PRO A 97 17.024 0.844 -36.405 1.00 12.33 C ATOM 1086 C PRO A 97 18.163 1.777 -36.838 1.00 20.42 C ATOM 1087 O PRO A 97 18.346 2.855 -36.268 1.00 25.13 O ATOM 1088 CB PRO A 97 15.906 1.657 -35.738 1.00 21.00 C ATOM 1089 CG PRO A 97 15.406 0.798 -34.630 1.00 4.10 C ATOM 1090 CD PRO A 97 16.590 0.003 -34.161 1.00 45.32 C ATOM 0 HA PRO A 97 16.728 0.337 -37.323 1.00 12.33 H new ATOM 0 HB2 PRO A 97 16.282 2.608 -35.360 1.00 21.00 H new ATOM 0 HB3 PRO A 97 15.111 1.888 -36.447 1.00 21.00 H new ATOM 0 HG2 PRO A 97 14.996 1.403 -33.821 1.00 4.10 H new ATOM 0 HG3 PRO A 97 14.606 0.142 -34.974 1.00 4.10 H new ATOM 0 HD2 PRO A 97 17.135 0.520 -33.371 1.00 45.32 H new ATOM 0 HD3 PRO A 97 16.292 -0.966 -33.761 1.00 45.32 H new ATOM 1098 N LEU A 98 18.964 1.320 -37.797 1.00 32.31 N ATOM 1099 CA LEU A 98 19.865 2.192 -38.549 1.00 53.04 C ATOM 1100 C LEU A 98 20.004 1.649 -39.972 1.00 62.01 C ATOM 1101 O LEU A 98 20.262 0.461 -40.170 1.00 33.11 O ATOM 1102 CB LEU A 98 21.237 2.420 -37.839 1.00 32.42 C ATOM 1103 CG LEU A 98 22.242 1.248 -37.687 1.00 42.23 C ATOM 1104 CD1 LEU A 98 21.604 0.010 -37.091 1.00 15.02 C ATOM 1105 CD2 LEU A 98 22.941 0.922 -39.001 1.00 55.40 C ATOM 0 H LEU A 98 19.008 0.339 -38.075 1.00 32.31 H new ATOM 0 HA LEU A 98 19.428 3.189 -38.597 1.00 53.04 H new ATOM 0 HB2 LEU A 98 21.750 3.218 -38.376 1.00 32.42 H new ATOM 0 HB3 LEU A 98 21.024 2.795 -36.838 1.00 32.42 H new ATOM 0 HG LEU A 98 23.000 1.591 -36.983 1.00 42.23 H new ATOM 0 HD11 LEU A 98 22.351 -0.779 -37.007 1.00 15.02 H new ATOM 0 HD12 LEU A 98 21.210 0.244 -36.102 1.00 15.02 H new ATOM 0 HD13 LEU A 98 20.792 -0.327 -37.735 1.00 15.02 H new ATOM 0 HD21 LEU A 98 23.635 0.096 -38.848 1.00 55.40 H new ATOM 0 HD22 LEU A 98 22.199 0.639 -39.748 1.00 55.40 H new ATOM 0 HD23 LEU A 98 23.489 1.798 -39.348 1.00 55.40 H new ATOM 1117 N ASP A 99 19.785 2.503 -40.959 1.00 2.23 N ATOM 1118 CA ASP A 99 19.718 2.059 -42.345 1.00 12.22 C ATOM 1119 C ASP A 99 20.950 2.477 -43.145 1.00 53.24 C ATOM 1120 O ASP A 99 20.944 3.488 -43.844 1.00 34.14 O ATOM 1121 CB ASP A 99 18.432 2.571 -43.012 1.00 52.45 C ATOM 1122 CG ASP A 99 18.226 4.071 -42.860 1.00 34.34 C ATOM 1123 OD1 ASP A 99 18.016 4.539 -41.717 1.00 32.11 O ATOM 1124 OD2 ASP A 99 18.257 4.788 -43.881 1.00 62.54 O ATOM 0 H ASP A 99 19.651 3.506 -40.828 1.00 2.23 H new ATOM 0 HA ASP A 99 19.699 0.969 -42.337 1.00 12.22 H new ATOM 0 HB2 ASP A 99 18.458 2.321 -44.073 1.00 52.45 H new ATOM 0 HB3 ASP A 99 17.577 2.049 -42.583 1.00 52.45 H new ATOM 1129 N LEU A 100 22.020 1.694 -43.004 1.00 53.21 N ATOM 1130 CA LEU A 100 23.242 1.886 -43.795 1.00 32.42 C ATOM 1131 C LEU A 100 24.255 0.773 -43.542 1.00 62.43 C ATOM 1132 O LEU A 100 25.399 0.871 -43.979 1.00 43.25 O ATOM 1133 CB LEU A 100 23.886 3.247 -43.482 1.00 51.20 C ATOM 1134 CG LEU A 100 24.078 3.590 -41.994 1.00 64.25 C ATOM 1135 CD1 LEU A 100 25.142 2.717 -41.335 1.00 11.02 C ATOM 1136 CD2 LEU A 100 24.449 5.047 -41.849 1.00 24.12 C ATOM 0 H LEU A 100 22.068 0.916 -42.346 1.00 53.21 H new ATOM 0 HA LEU A 100 22.952 1.857 -44.845 1.00 32.42 H new ATOM 0 HB2 LEU A 100 24.861 3.283 -43.969 1.00 51.20 H new ATOM 0 HB3 LEU A 100 23.274 4.026 -43.936 1.00 51.20 H new ATOM 0 HG LEU A 100 23.133 3.394 -41.487 1.00 64.25 H new ATOM 0 HD11 LEU A 100 25.242 2.995 -40.286 1.00 11.02 H new ATOM 0 HD12 LEU A 100 24.848 1.670 -41.406 1.00 11.02 H new ATOM 0 HD13 LEU A 100 26.096 2.861 -41.842 1.00 11.02 H new ATOM 0 HD21 LEU A 100 24.584 5.285 -40.794 1.00 24.12 H new ATOM 0 HD22 LEU A 100 25.377 5.241 -42.386 1.00 24.12 H new ATOM 0 HD23 LEU A 100 23.654 5.668 -42.262 1.00 24.12 H new ATOM 1148 N GLY A 101 23.809 -0.304 -42.897 1.00 14.11 N ATOM 1149 CA GLY A 101 24.727 -1.267 -42.299 1.00 21.32 C ATOM 1150 C GLY A 101 25.817 -1.762 -43.234 1.00 42.41 C ATOM 1151 O GLY A 101 26.994 -1.748 -42.882 1.00 61.31 O ATOM 0 H GLY A 101 22.822 -0.529 -42.776 1.00 14.11 H new ATOM 0 HA2 GLY A 101 25.194 -0.811 -41.426 1.00 21.32 H new ATOM 0 HA3 GLY A 101 24.154 -2.123 -41.943 1.00 21.32 H new ATOM 1155 N PHE A 102 25.430 -2.195 -44.419 1.00 44.43 N ATOM 1156 CA PHE A 102 26.383 -2.763 -45.368 1.00 22.34 C ATOM 1157 C PHE A 102 26.695 -1.774 -46.486 1.00 14.14 C ATOM 1158 O PHE A 102 27.560 -2.018 -47.327 1.00 20.01 O ATOM 1159 CB PHE A 102 25.851 -4.081 -45.951 1.00 65.31 C ATOM 1160 CG PHE A 102 24.618 -3.934 -46.803 1.00 72.54 C ATOM 1161 CD1 PHE A 102 23.356 -3.868 -46.228 1.00 23.21 C ATOM 1162 CD2 PHE A 102 24.721 -3.871 -48.185 1.00 24.54 C ATOM 1163 CE1 PHE A 102 22.226 -3.740 -47.016 1.00 30.41 C ATOM 1164 CE2 PHE A 102 23.596 -3.743 -48.974 1.00 41.15 C ATOM 1165 CZ PHE A 102 22.347 -3.676 -48.389 1.00 54.51 C ATOM 0 H PHE A 102 24.466 -2.167 -44.752 1.00 44.43 H new ATOM 0 HA PHE A 102 27.307 -2.972 -44.830 1.00 22.34 H new ATOM 0 HB2 PHE A 102 26.637 -4.543 -46.548 1.00 65.31 H new ATOM 0 HB3 PHE A 102 25.631 -4.764 -45.131 1.00 65.31 H new ATOM 0 HD1 PHE A 102 23.255 -3.917 -45.154 1.00 23.21 H new ATOM 0 HD2 PHE A 102 25.695 -3.923 -48.650 1.00 24.54 H new ATOM 0 HE1 PHE A 102 21.250 -3.690 -46.557 1.00 30.41 H new ATOM 0 HE2 PHE A 102 23.692 -3.695 -50.049 1.00 41.15 H new ATOM 0 HZ PHE A 102 21.466 -3.574 -49.005 1.00 54.51 H new ATOM 1175 N CYS A 103 26.008 -0.646 -46.473 1.00 31.11 N ATOM 1176 CA CYS A 103 26.056 0.278 -47.593 1.00 45.05 C ATOM 1177 C CYS A 103 27.222 1.254 -47.472 1.00 4.31 C ATOM 1178 O CYS A 103 27.634 1.853 -48.460 1.00 13.12 O ATOM 1179 CB CYS A 103 24.728 1.025 -47.701 1.00 33.04 C ATOM 1180 SG CYS A 103 23.295 -0.081 -47.912 1.00 5.12 S ATOM 0 H CYS A 103 25.411 -0.348 -45.701 1.00 31.11 H new ATOM 0 HA CYS A 103 26.217 -0.298 -48.504 1.00 45.05 H new ATOM 0 HB2 CYS A 103 24.584 1.628 -46.804 1.00 33.04 H new ATOM 0 HB3 CYS A 103 24.774 1.714 -48.544 1.00 33.04 H new ATOM 1185 N THR A 104 27.782 1.371 -46.271 1.00 55.40 N ATOM 1186 CA THR A 104 28.880 2.304 -46.011 1.00 2.12 C ATOM 1187 C THR A 104 30.103 2.014 -46.901 1.00 62.12 C ATOM 1188 O THR A 104 30.993 2.850 -47.054 1.00 34.12 O ATOM 1189 CB THR A 104 29.283 2.246 -44.521 1.00 5.20 C ATOM 1190 OG1 THR A 104 28.112 2.390 -43.707 1.00 13.15 O ATOM 1191 CG2 THR A 104 30.279 3.343 -44.161 1.00 75.55 C ATOM 0 H THR A 104 27.493 0.829 -45.457 1.00 55.40 H new ATOM 0 HA THR A 104 28.526 3.306 -46.254 1.00 2.12 H new ATOM 0 HB THR A 104 29.760 1.283 -44.341 1.00 5.20 H new ATOM 0 HG1 THR A 104 28.365 2.352 -42.761 1.00 13.15 H new ATOM 0 HG21 THR A 104 30.537 3.268 -43.105 1.00 75.55 H new ATOM 0 HG22 THR A 104 31.180 3.229 -44.764 1.00 75.55 H new ATOM 0 HG23 THR A 104 29.833 4.318 -44.357 1.00 75.55 H new ATOM 1199 N LEU A 105 30.124 0.831 -47.505 1.00 43.32 N ATOM 1200 CA LEU A 105 31.223 0.425 -48.378 1.00 35.11 C ATOM 1201 C LEU A 105 31.124 1.095 -49.752 1.00 74.44 C ATOM 1202 O LEU A 105 32.075 1.055 -50.539 1.00 73.15 O ATOM 1203 CB LEU A 105 31.202 -1.096 -48.564 1.00 72.11 C ATOM 1204 CG LEU A 105 31.260 -1.920 -47.277 1.00 42.02 C ATOM 1205 CD1 LEU A 105 31.072 -3.398 -47.584 1.00 24.30 C ATOM 1206 CD2 LEU A 105 32.578 -1.693 -46.556 1.00 2.14 C ATOM 0 H LEU A 105 29.388 0.131 -47.406 1.00 43.32 H new ATOM 0 HA LEU A 105 32.155 0.736 -47.906 1.00 35.11 H new ATOM 0 HB2 LEU A 105 30.295 -1.365 -49.106 1.00 72.11 H new ATOM 0 HB3 LEU A 105 32.046 -1.379 -49.194 1.00 72.11 H new ATOM 0 HG LEU A 105 30.450 -1.595 -46.624 1.00 42.02 H new ATOM 0 HD11 LEU A 105 31.116 -3.971 -46.658 1.00 24.30 H new ATOM 0 HD12 LEU A 105 30.103 -3.551 -48.059 1.00 24.30 H new ATOM 0 HD13 LEU A 105 31.862 -3.733 -48.256 1.00 24.30 H new ATOM 0 HD21 LEU A 105 32.600 -2.288 -45.643 1.00 2.14 H new ATOM 0 HD22 LEU A 105 33.403 -1.991 -47.203 1.00 2.14 H new ATOM 0 HD23 LEU A 105 32.678 -0.637 -46.304 1.00 2.14 H new ATOM 1218 N ALA A 106 29.979 1.706 -50.035 1.00 53.13 N ATOM 1219 CA ALA A 106 29.698 2.220 -51.373 1.00 33.21 C ATOM 1220 C ALA A 106 30.016 3.710 -51.506 1.00 72.33 C ATOM 1221 O ALA A 106 30.767 4.113 -52.396 1.00 24.14 O ATOM 1222 CB ALA A 106 28.246 1.949 -51.738 1.00 4.53 C ATOM 0 H ALA A 106 29.231 1.858 -49.358 1.00 53.13 H new ATOM 0 HA ALA A 106 30.352 1.695 -52.069 1.00 33.21 H new ATOM 0 HB1 ALA A 106 28.044 2.335 -52.737 1.00 4.53 H new ATOM 0 HB2 ALA A 106 28.061 0.875 -51.720 1.00 4.53 H new ATOM 0 HB3 ALA A 106 27.592 2.442 -51.019 1.00 4.53 H new ATOM 1228 N GLY A 107 29.443 4.526 -50.637 1.00 54.24 N ATOM 1229 CA GLY A 107 29.646 5.960 -50.725 1.00 2.01 C ATOM 1230 C GLY A 107 28.570 6.648 -51.543 1.00 13.03 C ATOM 1231 O GLY A 107 27.642 7.239 -50.996 1.00 23.12 O ATOM 0 H GLY A 107 28.841 4.224 -49.871 1.00 54.24 H new ATOM 0 HA2 GLY A 107 29.662 6.384 -49.721 1.00 2.01 H new ATOM 0 HA3 GLY A 107 30.620 6.159 -51.171 1.00 2.01 H new ATOM 1235 N ILE A 108 28.692 6.565 -52.860 1.00 32.32 N ATOM 1236 CA ILE A 108 27.741 7.209 -53.762 1.00 11.45 C ATOM 1237 C ILE A 108 26.476 6.364 -53.916 1.00 11.43 C ATOM 1238 O ILE A 108 25.364 6.833 -53.681 1.00 32.40 O ATOM 1239 CB ILE A 108 28.347 7.451 -55.173 1.00 74.35 C ATOM 1240 CG1 ILE A 108 29.653 8.257 -55.100 1.00 22.11 C ATOM 1241 CG2 ILE A 108 27.344 8.169 -56.063 1.00 70.13 C ATOM 1242 CD1 ILE A 108 30.872 7.434 -54.736 1.00 35.02 C ATOM 0 H ILE A 108 29.441 6.057 -53.331 1.00 32.32 H new ATOM 0 HA ILE A 108 27.496 8.172 -53.313 1.00 11.45 H new ATOM 0 HB ILE A 108 28.578 6.476 -55.602 1.00 74.35 H new ATOM 0 HG12 ILE A 108 29.826 8.735 -56.064 1.00 22.11 H new ATOM 0 HG13 ILE A 108 29.534 9.054 -54.366 1.00 22.11 H new ATOM 0 HG21 ILE A 108 27.782 8.332 -57.048 1.00 70.13 H new ATOM 0 HG22 ILE A 108 26.445 7.561 -56.162 1.00 70.13 H new ATOM 0 HG23 ILE A 108 27.085 9.130 -55.618 1.00 70.13 H new ATOM 0 HD11 ILE A 108 31.751 8.079 -54.706 1.00 35.02 H new ATOM 0 HD12 ILE A 108 30.724 6.977 -53.758 1.00 35.02 H new ATOM 0 HD13 ILE A 108 31.020 6.653 -55.482 1.00 35.02 H new ATOM 1254 N ARG A 109 26.663 5.104 -54.278 1.00 43.41 N ATOM 1255 CA ARG A 109 25.547 4.223 -54.611 1.00 52.44 C ATOM 1256 C ARG A 109 24.887 3.628 -53.366 1.00 43.24 C ATOM 1257 O ARG A 109 23.954 2.836 -53.475 1.00 73.23 O ATOM 1258 CB ARG A 109 26.019 3.116 -55.559 1.00 54.42 C ATOM 1259 CG ARG A 109 27.284 2.416 -55.097 1.00 3.44 C ATOM 1260 CD ARG A 109 27.824 1.474 -56.160 1.00 53.44 C ATOM 1261 NE ARG A 109 29.133 0.938 -55.792 1.00 33.32 N ATOM 1262 CZ ARG A 109 30.137 0.752 -56.650 1.00 41.00 C ATOM 1263 NH1 ARG A 109 29.990 1.033 -57.941 1.00 40.43 N ATOM 1264 NH2 ARG A 109 31.297 0.291 -56.205 1.00 65.12 N ATOM 0 H ARG A 109 27.581 4.664 -54.350 1.00 43.41 H new ATOM 0 HA ARG A 109 24.789 4.825 -55.112 1.00 52.44 H new ATOM 0 HB2 ARG A 109 25.224 2.378 -55.666 1.00 54.42 H new ATOM 0 HB3 ARG A 109 26.191 3.544 -56.546 1.00 54.42 H new ATOM 0 HG2 ARG A 109 28.042 3.159 -54.850 1.00 3.44 H new ATOM 0 HG3 ARG A 109 27.078 1.856 -54.185 1.00 3.44 H new ATOM 0 HD2 ARG A 109 27.123 0.653 -56.309 1.00 53.44 H new ATOM 0 HD3 ARG A 109 27.901 2.003 -57.110 1.00 53.44 H new ATOM 0 HE ARG A 109 29.289 0.690 -54.815 1.00 33.32 H new ATOM 0 HH11 ARG A 109 29.101 1.396 -58.286 1.00 40.43 H new ATOM 0 HH12 ARG A 109 30.766 0.886 -58.586 1.00 40.43 H new ATOM 0 HH21 ARG A 109 31.416 0.082 -55.214 1.00 65.12 H new ATOM 0 HH22 ARG A 109 32.071 0.146 -56.854 1.00 65.12 H new ATOM 1278 N GLU A 110 25.362 4.004 -52.182 1.00 24.04 N ATOM 1279 CA GLU A 110 24.770 3.500 -50.949 1.00 23.22 C ATOM 1280 C GLU A 110 23.426 4.167 -50.685 1.00 51.11 C ATOM 1281 O GLU A 110 22.529 3.560 -50.122 1.00 11.33 O ATOM 1282 CB GLU A 110 25.704 3.674 -49.753 1.00 30.01 C ATOM 1283 CG GLU A 110 26.106 5.103 -49.466 1.00 4.34 C ATOM 1284 CD GLU A 110 26.983 5.217 -48.237 1.00 51.21 C ATOM 1285 OE1 GLU A 110 28.136 4.749 -48.277 1.00 52.42 O ATOM 1286 OE2 GLU A 110 26.519 5.779 -47.223 1.00 61.20 O ATOM 0 H GLU A 110 26.143 4.646 -52.051 1.00 24.04 H new ATOM 0 HA GLU A 110 24.609 2.430 -51.081 1.00 23.22 H new ATOM 0 HB2 GLU A 110 25.219 3.263 -48.868 1.00 30.01 H new ATOM 0 HB3 GLU A 110 26.605 3.085 -49.925 1.00 30.01 H new ATOM 0 HG2 GLU A 110 26.637 5.509 -50.327 1.00 4.34 H new ATOM 0 HG3 GLU A 110 25.211 5.709 -49.328 1.00 4.34 H new ATOM 1293 N VAL A 111 23.294 5.418 -51.099 1.00 3.00 N ATOM 1294 CA VAL A 111 22.018 6.122 -50.998 1.00 63.25 C ATOM 1295 C VAL A 111 20.919 5.324 -51.709 1.00 35.40 C ATOM 1296 O VAL A 111 19.757 5.311 -51.292 1.00 64.14 O ATOM 1297 CB VAL A 111 22.114 7.536 -51.616 1.00 0.03 C ATOM 1298 CG1 VAL A 111 20.824 8.315 -51.410 1.00 4.45 C ATOM 1299 CG2 VAL A 111 23.294 8.301 -51.033 1.00 24.42 C ATOM 0 H VAL A 111 24.050 5.968 -51.507 1.00 3.00 H new ATOM 0 HA VAL A 111 21.770 6.222 -49.941 1.00 63.25 H new ATOM 0 HB VAL A 111 22.272 7.419 -52.688 1.00 0.03 H new ATOM 0 HG11 VAL A 111 20.922 9.305 -51.855 1.00 4.45 H new ATOM 0 HG12 VAL A 111 19.999 7.784 -51.884 1.00 4.45 H new ATOM 0 HG13 VAL A 111 20.626 8.415 -50.343 1.00 4.45 H new ATOM 0 HG21 VAL A 111 23.342 9.293 -51.482 1.00 24.42 H new ATOM 0 HG22 VAL A 111 23.168 8.397 -49.954 1.00 24.42 H new ATOM 0 HG23 VAL A 111 24.217 7.762 -51.244 1.00 24.42 H new ATOM 1309 N ASP A 112 21.316 4.635 -52.768 1.00 14.23 N ATOM 1310 CA ASP A 112 20.407 3.836 -53.577 1.00 43.24 C ATOM 1311 C ASP A 112 20.011 2.526 -52.880 1.00 31.34 C ATOM 1312 O ASP A 112 18.862 2.093 -52.979 1.00 21.21 O ATOM 1313 CB ASP A 112 21.069 3.570 -54.932 1.00 75.11 C ATOM 1314 CG ASP A 112 20.288 2.630 -55.824 1.00 24.13 C ATOM 1315 OD1 ASP A 112 19.223 3.031 -56.346 1.00 12.24 O ATOM 1316 OD2 ASP A 112 20.762 1.504 -56.040 1.00 2.14 O ATOM 0 H ASP A 112 22.283 4.614 -53.092 1.00 14.23 H new ATOM 0 HA ASP A 112 19.480 4.391 -53.722 1.00 43.24 H new ATOM 0 HB2 ASP A 112 21.204 4.519 -55.451 1.00 75.11 H new ATOM 0 HB3 ASP A 112 22.062 3.154 -54.764 1.00 75.11 H new ATOM 1321 N CYS A 113 20.954 1.915 -52.158 1.00 70.12 N ATOM 1322 CA CYS A 113 20.716 0.628 -51.479 1.00 75.15 C ATOM 1323 C CYS A 113 19.473 0.660 -50.586 1.00 1.24 C ATOM 1324 O CYS A 113 18.792 -0.353 -50.426 1.00 3.22 O ATOM 1325 CB CYS A 113 21.929 0.233 -50.620 1.00 24.22 C ATOM 1326 SG CYS A 113 21.974 1.033 -48.977 1.00 24.13 S ATOM 0 H CYS A 113 21.894 2.288 -52.025 1.00 70.12 H new ATOM 0 HA CYS A 113 20.556 -0.108 -52.267 1.00 75.15 H new ATOM 0 HB2 CYS A 113 21.928 -0.849 -50.485 1.00 24.22 H new ATOM 0 HB3 CYS A 113 22.841 0.486 -51.160 1.00 24.22 H new ATOM 1331 N ARG A 114 19.166 1.832 -50.035 1.00 71.22 N ATOM 1332 CA ARG A 114 18.116 1.966 -49.027 1.00 31.34 C ATOM 1333 C ARG A 114 16.756 1.530 -49.570 1.00 14.12 C ATOM 1334 O ARG A 114 15.939 0.963 -48.846 1.00 21.40 O ATOM 1335 CB ARG A 114 18.052 3.413 -48.540 1.00 12.43 C ATOM 1336 CG ARG A 114 19.381 3.928 -48.009 1.00 25.14 C ATOM 1337 CD ARG A 114 19.282 5.381 -47.584 1.00 33.43 C ATOM 1338 NE ARG A 114 18.349 5.567 -46.474 1.00 52.41 N ATOM 1339 CZ ARG A 114 17.291 6.370 -46.514 1.00 33.20 C ATOM 1340 NH1 ARG A 114 16.993 7.042 -47.621 1.00 21.24 N ATOM 1341 NH2 ARG A 114 16.527 6.498 -45.439 1.00 72.01 N ATOM 0 H ARG A 114 19.632 2.708 -50.271 1.00 71.22 H new ATOM 0 HA ARG A 114 18.362 1.310 -48.192 1.00 31.34 H new ATOM 0 HB2 ARG A 114 17.725 4.051 -49.361 1.00 12.43 H new ATOM 0 HB3 ARG A 114 17.300 3.492 -47.755 1.00 12.43 H new ATOM 0 HG2 ARG A 114 19.696 3.320 -47.161 1.00 25.14 H new ATOM 0 HG3 ARG A 114 20.147 3.824 -48.778 1.00 25.14 H new ATOM 0 HD2 ARG A 114 20.269 5.741 -47.292 1.00 33.43 H new ATOM 0 HD3 ARG A 114 18.961 5.985 -48.432 1.00 33.43 H new ATOM 0 HE ARG A 114 18.521 5.047 -45.614 1.00 52.41 H new ATOM 0 HH11 ARG A 114 17.579 6.944 -48.450 1.00 21.24 H new ATOM 0 HH12 ARG A 114 16.179 7.656 -47.641 1.00 21.24 H new ATOM 0 HH21 ARG A 114 16.753 5.982 -44.589 1.00 72.01 H new ATOM 0 HH22 ARG A 114 15.713 7.112 -45.462 1.00 72.01 H new ATOM 1355 N LYS A 115 16.523 1.798 -50.845 1.00 71.03 N ATOM 1356 CA LYS A 115 15.257 1.444 -51.479 1.00 20.44 C ATOM 1357 C LYS A 115 15.208 -0.050 -51.782 1.00 61.14 C ATOM 1358 O LYS A 115 14.242 -0.740 -51.470 1.00 2.12 O ATOM 1359 CB LYS A 115 15.042 2.224 -52.783 1.00 3.34 C ATOM 1360 CG LYS A 115 15.124 3.737 -52.639 1.00 51.31 C ATOM 1361 CD LYS A 115 16.550 4.247 -52.789 1.00 34.12 C ATOM 1362 CE LYS A 115 16.998 4.313 -54.248 1.00 1.41 C ATOM 1363 NZ LYS A 115 17.017 2.983 -54.923 1.00 62.22 N ATOM 0 H LYS A 115 17.191 2.259 -51.463 1.00 71.03 H new ATOM 0 HA LYS A 115 14.464 1.705 -50.778 1.00 20.44 H new ATOM 0 HB2 LYS A 115 15.786 1.901 -53.511 1.00 3.34 H new ATOM 0 HB3 LYS A 115 14.065 1.964 -53.189 1.00 3.34 H new ATOM 0 HG2 LYS A 115 14.490 4.208 -53.390 1.00 51.31 H new ATOM 0 HG3 LYS A 115 14.735 4.030 -51.664 1.00 51.31 H new ATOM 0 HD2 LYS A 115 16.626 5.239 -52.344 1.00 34.12 H new ATOM 0 HD3 LYS A 115 17.225 3.596 -52.234 1.00 34.12 H new ATOM 0 HE2 LYS A 115 16.332 4.980 -54.795 1.00 1.41 H new ATOM 0 HE3 LYS A 115 17.995 4.750 -54.295 1.00 1.41 H new ATOM 0 HZ1 LYS A 115 17.560 3.050 -55.808 1.00 62.22 H new ATOM 0 HZ2 LYS A 115 17.462 2.282 -54.296 1.00 62.22 H new ATOM 0 HZ3 LYS A 115 16.043 2.688 -55.136 1.00 62.22 H new ATOM 1377 N ASP A 116 16.289 -0.524 -52.372 1.00 71.41 N ATOM 1378 CA ASP A 116 16.326 -1.840 -53.001 1.00 22.01 C ATOM 1379 C ASP A 116 16.540 -2.969 -52.000 1.00 31.40 C ATOM 1380 O ASP A 116 16.159 -4.110 -52.259 1.00 32.21 O ATOM 1381 CB ASP A 116 17.398 -1.861 -54.086 1.00 13.13 C ATOM 1382 CG ASP A 116 17.076 -0.880 -55.196 1.00 35.30 C ATOM 1383 OD1 ASP A 116 17.391 0.320 -55.042 1.00 50.03 O ATOM 1384 OD2 ASP A 116 16.482 -1.300 -56.209 1.00 60.33 O ATOM 0 H ASP A 116 17.169 -0.011 -52.431 1.00 71.41 H new ATOM 0 HA ASP A 116 15.349 -2.016 -53.451 1.00 22.01 H new ATOM 0 HB2 ASP A 116 18.366 -1.615 -53.649 1.00 13.13 H new ATOM 0 HB3 ASP A 116 17.481 -2.866 -54.499 1.00 13.13 H new ATOM 1389 N ALA A 117 17.142 -2.649 -50.861 1.00 61.45 N ATOM 1390 CA ALA A 117 17.500 -3.658 -49.862 1.00 71.34 C ATOM 1391 C ALA A 117 16.286 -4.437 -49.353 1.00 41.25 C ATOM 1392 O ALA A 117 16.363 -5.647 -49.144 1.00 33.11 O ATOM 1393 CB ALA A 117 18.226 -3.008 -48.694 1.00 72.31 C ATOM 0 H ALA A 117 17.395 -1.695 -50.602 1.00 61.45 H new ATOM 0 HA ALA A 117 18.160 -4.372 -50.354 1.00 71.34 H new ATOM 0 HB1 ALA A 117 18.486 -3.769 -47.958 1.00 72.31 H new ATOM 0 HB2 ALA A 117 19.135 -2.525 -49.054 1.00 72.31 H new ATOM 0 HB3 ALA A 117 17.578 -2.263 -48.232 1.00 72.31 H new ATOM 1399 N GLN A 118 15.168 -3.744 -49.166 1.00 1.31 N ATOM 1400 CA GLN A 118 13.974 -4.349 -48.576 1.00 10.21 C ATOM 1401 C GLN A 118 13.332 -5.388 -49.503 1.00 3.34 C ATOM 1402 O GLN A 118 12.539 -6.216 -49.056 1.00 21.43 O ATOM 1403 CB GLN A 118 12.957 -3.262 -48.246 1.00 12.33 C ATOM 1404 CG GLN A 118 11.768 -3.755 -47.433 1.00 45.12 C ATOM 1405 CD GLN A 118 10.619 -2.767 -47.416 1.00 54.34 C ATOM 1406 OE1 GLN A 118 10.410 -2.082 -48.532 1.00 0.42 O flip ATOM 1407 NE2 GLN A 118 9.902 -2.648 -46.423 1.00 52.05 N flip ATOM 0 H GLN A 118 15.061 -2.760 -49.414 1.00 1.31 H new ATOM 0 HA GLN A 118 14.284 -4.865 -47.667 1.00 10.21 H new ATOM 0 HB2 GLN A 118 13.457 -2.466 -47.694 1.00 12.33 H new ATOM 0 HB3 GLN A 118 12.593 -2.825 -49.176 1.00 12.33 H new ATOM 0 HG2 GLN A 118 11.420 -4.703 -47.844 1.00 45.12 H new ATOM 0 HG3 GLN A 118 12.089 -3.950 -46.410 1.00 45.12 H new ATOM 0 HE21 GLN A 118 10.098 -3.194 -45.584 1.00 52.05 H new ATOM 0 HE22 GLN A 118 9.112 -2.003 -46.439 1.00 52.05 H new ATOM 1416 N THR A 119 13.666 -5.333 -50.786 1.00 23.34 N ATOM 1417 CA THR A 119 13.109 -6.256 -51.773 1.00 32.53 C ATOM 1418 C THR A 119 13.359 -7.715 -51.363 1.00 33.34 C ATOM 1419 O THR A 119 12.530 -8.595 -51.584 1.00 13.20 O ATOM 1420 CB THR A 119 13.728 -5.979 -53.157 1.00 14.11 C ATOM 1421 OG1 THR A 119 13.782 -4.561 -53.384 1.00 54.24 O ATOM 1422 CG2 THR A 119 12.925 -6.631 -54.269 1.00 3.51 C ATOM 0 H THR A 119 14.324 -4.655 -51.171 1.00 23.34 H new ATOM 0 HA THR A 119 12.032 -6.098 -51.823 1.00 32.53 H new ATOM 0 HB THR A 119 14.732 -6.404 -53.166 1.00 14.11 H new ATOM 0 HG1 THR A 119 14.658 -4.219 -53.109 1.00 54.24 H new ATOM 0 HG21 THR A 119 13.391 -6.414 -55.230 1.00 3.51 H new ATOM 0 HG22 THR A 119 12.898 -7.710 -54.114 1.00 3.51 H new ATOM 0 HG23 THR A 119 11.908 -6.238 -54.262 1.00 3.51 H new ATOM 1430 N CYS A 120 14.519 -7.943 -50.761 1.00 60.11 N ATOM 1431 CA CYS A 120 14.914 -9.258 -50.237 1.00 11.54 C ATOM 1432 C CYS A 120 14.133 -9.625 -48.968 1.00 15.35 C ATOM 1433 O CYS A 120 14.722 -10.132 -48.011 1.00 15.35 O ATOM 1434 CB CYS A 120 16.416 -9.253 -49.911 1.00 44.54 C ATOM 1435 SG CYS A 120 17.551 -9.314 -51.348 1.00 33.01 S ATOM 0 H CYS A 120 15.223 -7.219 -50.618 1.00 60.11 H new ATOM 0 HA CYS A 120 14.690 -9.999 -51.004 1.00 11.54 H new ATOM 0 HB2 CYS A 120 16.639 -8.355 -49.335 1.00 44.54 H new ATOM 0 HB3 CYS A 120 16.631 -10.106 -49.267 1.00 44.54 H new ATOM 1440 N ASP A 121 12.819 -9.394 -48.956 1.00 21.21 N ATOM 1441 CA ASP A 121 12.070 -9.403 -47.701 1.00 3.55 C ATOM 1442 C ASP A 121 12.024 -10.791 -47.033 1.00 62.42 C ATOM 1443 O ASP A 121 12.531 -10.941 -45.921 1.00 42.33 O ATOM 1444 CB ASP A 121 10.649 -8.842 -47.922 1.00 61.54 C ATOM 1445 CG ASP A 121 9.681 -9.814 -48.580 1.00 43.32 C ATOM 1446 OD1 ASP A 121 10.063 -10.471 -49.573 1.00 24.43 O ATOM 1447 OD2 ASP A 121 8.541 -9.945 -48.082 1.00 3.42 O ATOM 0 H ASP A 121 12.260 -9.201 -49.787 1.00 21.21 H new ATOM 0 HA ASP A 121 12.605 -8.755 -47.007 1.00 3.55 H new ATOM 0 HB2 ASP A 121 10.239 -8.537 -46.959 1.00 61.54 H new ATOM 0 HB3 ASP A 121 10.718 -7.945 -48.538 1.00 61.54 H new ATOM 1452 N LYS A 122 11.426 -11.802 -47.661 1.00 10.24 N ATOM 1453 CA LYS A 122 11.530 -13.154 -47.126 1.00 4.10 C ATOM 1454 C LYS A 122 11.882 -14.212 -48.177 1.00 5.34 C ATOM 1455 O LYS A 122 12.967 -14.794 -48.139 1.00 61.13 O ATOM 1456 CB LYS A 122 10.282 -13.543 -46.312 1.00 53.34 C ATOM 1457 CG LYS A 122 8.942 -13.303 -46.987 1.00 53.02 C ATOM 1458 CD LYS A 122 7.815 -13.446 -45.975 1.00 42.14 C ATOM 1459 CE LYS A 122 6.447 -13.287 -46.609 1.00 54.53 C ATOM 1460 NZ LYS A 122 5.376 -13.184 -45.582 1.00 55.12 N ATOM 0 H LYS A 122 10.879 -11.714 -48.517 1.00 10.24 H new ATOM 0 HA LYS A 122 12.379 -13.134 -46.443 1.00 4.10 H new ATOM 0 HB2 LYS A 122 10.354 -14.601 -46.058 1.00 53.34 H new ATOM 0 HB3 LYS A 122 10.298 -12.988 -45.374 1.00 53.34 H new ATOM 0 HG2 LYS A 122 8.921 -12.306 -47.428 1.00 53.02 H new ATOM 0 HG3 LYS A 122 8.803 -14.015 -47.801 1.00 53.02 H new ATOM 0 HD2 LYS A 122 7.880 -14.424 -45.498 1.00 42.14 H new ATOM 0 HD3 LYS A 122 7.938 -12.700 -45.190 1.00 42.14 H new ATOM 0 HE2 LYS A 122 6.437 -12.396 -47.236 1.00 54.53 H new ATOM 0 HE3 LYS A 122 6.246 -14.137 -47.261 1.00 54.53 H new ATOM 0 HZ1 LYS A 122 4.504 -13.621 -45.944 1.00 55.12 H new ATOM 0 HZ2 LYS A 122 5.676 -13.677 -44.717 1.00 55.12 H new ATOM 0 HZ3 LYS A 122 5.198 -12.183 -45.366 1.00 55.12 H new ATOM 1474 N LYS A 123 10.965 -14.463 -49.118 1.00 71.14 N ATOM 1475 CA LYS A 123 11.119 -15.582 -50.051 1.00 51.02 C ATOM 1476 C LYS A 123 10.861 -15.170 -51.498 1.00 72.42 C ATOM 1477 O LYS A 123 11.771 -15.144 -52.327 1.00 41.53 O ATOM 1478 CB LYS A 123 10.180 -16.739 -49.686 1.00 22.52 C ATOM 1479 CG LYS A 123 10.483 -17.401 -48.351 1.00 73.13 C ATOM 1480 CD LYS A 123 9.601 -18.621 -48.131 1.00 72.34 C ATOM 1481 CE LYS A 123 9.853 -19.690 -49.186 1.00 42.22 C ATOM 1482 NZ LYS A 123 8.928 -20.846 -49.046 1.00 75.22 N ATOM 0 H LYS A 123 10.117 -13.912 -49.252 1.00 71.14 H new ATOM 0 HA LYS A 123 12.155 -15.909 -49.965 1.00 51.02 H new ATOM 0 HB2 LYS A 123 9.156 -16.367 -49.668 1.00 22.52 H new ATOM 0 HB3 LYS A 123 10.232 -17.493 -50.471 1.00 22.52 H new ATOM 0 HG2 LYS A 123 11.532 -17.696 -48.318 1.00 73.13 H new ATOM 0 HG3 LYS A 123 10.327 -16.686 -47.543 1.00 73.13 H new ATOM 0 HD2 LYS A 123 9.791 -19.034 -47.140 1.00 72.34 H new ATOM 0 HD3 LYS A 123 8.553 -18.323 -48.157 1.00 72.34 H new ATOM 0 HE2 LYS A 123 9.738 -19.253 -50.178 1.00 42.22 H new ATOM 0 HE3 LYS A 123 10.883 -20.039 -49.108 1.00 42.22 H new ATOM 0 HZ1 LYS A 123 9.136 -21.548 -49.784 1.00 75.22 H new ATOM 0 HZ2 LYS A 123 9.054 -21.280 -48.110 1.00 75.22 H new ATOM 0 HZ3 LYS A 123 7.946 -20.519 -49.146 1.00 75.22 H new ATOM 1496 N TYR A 124 9.601 -14.854 -51.788 1.00 21.44 N ATOM 1497 CA TYR A 124 9.133 -14.637 -53.156 1.00 54.02 C ATOM 1498 C TYR A 124 9.927 -13.549 -53.865 1.00 72.12 C ATOM 1499 O TYR A 124 10.481 -13.772 -54.944 1.00 34.33 O ATOM 1500 CB TYR A 124 7.646 -14.276 -53.147 1.00 44.04 C ATOM 1501 CG TYR A 124 7.069 -14.024 -54.521 1.00 65.11 C ATOM 1502 CD1 TYR A 124 6.682 -15.079 -55.336 1.00 20.11 C ATOM 1503 CD2 TYR A 124 6.914 -12.730 -55.009 1.00 24.53 C ATOM 1504 CE1 TYR A 124 6.160 -14.854 -56.594 1.00 13.10 C ATOM 1505 CE2 TYR A 124 6.391 -12.498 -56.267 1.00 21.24 C ATOM 1506 CZ TYR A 124 6.018 -13.564 -57.054 1.00 43.43 C ATOM 1507 OH TYR A 124 5.501 -13.339 -58.310 1.00 20.12 O ATOM 0 H TYR A 124 8.875 -14.741 -51.081 1.00 21.44 H new ATOM 0 HA TYR A 124 9.283 -15.566 -53.707 1.00 54.02 H new ATOM 0 HB2 TYR A 124 7.089 -15.084 -52.672 1.00 44.04 H new ATOM 0 HB3 TYR A 124 7.502 -13.386 -52.534 1.00 44.04 H new ATOM 0 HD1 TYR A 124 6.791 -16.093 -54.980 1.00 20.11 H new ATOM 0 HD2 TYR A 124 7.208 -11.892 -54.394 1.00 24.53 H new ATOM 0 HE1 TYR A 124 5.864 -15.687 -57.215 1.00 13.10 H new ATOM 0 HE2 TYR A 124 6.276 -11.487 -56.630 1.00 21.24 H new ATOM 0 HH TYR A 124 5.466 -12.375 -58.481 1.00 20.12 H new ATOM 1517 N GLU A 125 9.998 -12.380 -53.254 1.00 0.43 N ATOM 1518 CA GLU A 125 10.620 -11.239 -53.896 1.00 31.34 C ATOM 1519 C GLU A 125 12.136 -11.256 -53.681 1.00 4.13 C ATOM 1520 O GLU A 125 12.859 -10.411 -54.204 1.00 61.23 O ATOM 1521 CB GLU A 125 9.996 -9.940 -53.376 1.00 64.21 C ATOM 1522 CG GLU A 125 10.265 -8.737 -54.265 1.00 52.34 C ATOM 1523 CD GLU A 125 9.455 -7.517 -53.874 1.00 13.41 C ATOM 1524 OE1 GLU A 125 9.914 -6.739 -53.013 1.00 62.41 O ATOM 1525 OE2 GLU A 125 8.362 -7.320 -54.445 1.00 3.23 O ATOM 0 H GLU A 125 9.634 -12.197 -52.319 1.00 0.43 H new ATOM 0 HA GLU A 125 10.441 -11.297 -54.970 1.00 31.34 H new ATOM 0 HB2 GLU A 125 8.919 -10.077 -53.281 1.00 64.21 H new ATOM 0 HB3 GLU A 125 10.381 -9.736 -52.377 1.00 64.21 H new ATOM 0 HG2 GLU A 125 11.326 -8.491 -54.222 1.00 52.34 H new ATOM 0 HG3 GLU A 125 10.040 -8.999 -55.299 1.00 52.34 H new ATOM 1532 N SER A 126 12.616 -12.244 -52.932 1.00 11.54 N ATOM 1533 CA SER A 126 14.043 -12.382 -52.674 1.00 31.41 C ATOM 1534 C SER A 126 14.801 -12.650 -53.978 1.00 71.31 C ATOM 1535 O SER A 126 15.787 -11.978 -54.271 1.00 11.23 O ATOM 1536 CB SER A 126 14.291 -13.505 -51.659 1.00 4.40 C ATOM 1537 OG SER A 126 15.649 -13.552 -51.251 1.00 62.03 O ATOM 0 H SER A 126 12.037 -12.960 -52.494 1.00 11.54 H new ATOM 0 HA SER A 126 14.415 -11.448 -52.252 1.00 31.41 H new ATOM 0 HB2 SER A 126 13.654 -13.355 -50.787 1.00 4.40 H new ATOM 0 HB3 SER A 126 14.010 -14.462 -52.099 1.00 4.40 H new ATOM 0 HG SER A 126 15.771 -14.277 -50.603 1.00 62.03 H new ATOM 1543 N ASP A 127 14.338 -13.632 -54.751 1.00 63.31 N ATOM 1544 CA ASP A 127 14.909 -13.908 -56.074 1.00 72.00 C ATOM 1545 C ASP A 127 14.916 -12.660 -56.948 1.00 5.02 C ATOM 1546 O ASP A 127 15.883 -12.400 -57.667 1.00 53.22 O ATOM 1547 CB ASP A 127 14.136 -15.022 -56.786 1.00 4.11 C ATOM 1548 CG ASP A 127 14.410 -16.391 -56.203 1.00 65.31 C ATOM 1549 OD1 ASP A 127 15.429 -17.010 -56.576 1.00 41.22 O ATOM 1550 OD2 ASP A 127 13.606 -16.860 -55.372 1.00 42.11 O ATOM 0 H ASP A 127 13.571 -14.250 -54.487 1.00 63.31 H new ATOM 0 HA ASP A 127 15.938 -14.232 -55.916 1.00 72.00 H new ATOM 0 HB2 ASP A 127 13.068 -14.813 -56.725 1.00 4.11 H new ATOM 0 HB3 ASP A 127 14.400 -15.023 -57.843 1.00 4.11 H new ATOM 1555 N LYS A 128 13.833 -11.890 -56.887 1.00 4.04 N ATOM 1556 CA LYS A 128 13.744 -10.625 -57.618 1.00 31.43 C ATOM 1557 C LYS A 128 14.810 -9.654 -57.124 1.00 64.22 C ATOM 1558 O LYS A 128 15.447 -8.950 -57.904 1.00 34.22 O ATOM 1559 CB LYS A 128 12.359 -9.999 -57.426 1.00 42.32 C ATOM 1560 CG LYS A 128 11.208 -10.889 -57.863 1.00 21.24 C ATOM 1561 CD LYS A 128 11.177 -11.074 -59.371 1.00 24.54 C ATOM 1562 CE LYS A 128 9.991 -11.926 -59.789 1.00 11.50 C ATOM 1563 NZ LYS A 128 9.824 -11.972 -61.265 1.00 3.22 N ATOM 0 H LYS A 128 13.003 -12.118 -56.339 1.00 4.04 H new ATOM 0 HA LYS A 128 13.905 -10.827 -58.677 1.00 31.43 H new ATOM 0 HB2 LYS A 128 12.229 -9.747 -56.374 1.00 42.32 H new ATOM 0 HB3 LYS A 128 12.314 -9.065 -57.986 1.00 42.32 H new ATOM 0 HG2 LYS A 128 11.297 -11.862 -57.379 1.00 21.24 H new ATOM 0 HG3 LYS A 128 10.266 -10.453 -57.531 1.00 21.24 H new ATOM 0 HD2 LYS A 128 11.121 -10.101 -59.860 1.00 24.54 H new ATOM 0 HD3 LYS A 128 12.103 -11.544 -59.703 1.00 24.54 H new ATOM 0 HE2 LYS A 128 10.122 -12.939 -59.408 1.00 11.50 H new ATOM 0 HE3 LYS A 128 9.083 -11.529 -59.335 1.00 11.50 H new ATOM 0 HZ1 LYS A 128 9.003 -12.564 -61.503 1.00 3.22 H new ATOM 0 HZ2 LYS A 128 9.673 -11.009 -61.627 1.00 3.22 H new ATOM 0 HZ3 LYS A 128 10.679 -12.375 -61.699 1.00 3.22 H new ATOM 1577 N CYS A 129 15.005 -9.655 -55.819 1.00 55.52 N ATOM 1578 CA CYS A 129 15.934 -8.755 -55.160 1.00 22.55 C ATOM 1579 C CYS A 129 17.381 -9.127 -55.462 1.00 35.12 C ATOM 1580 O CYS A 129 18.223 -8.256 -55.633 1.00 53.35 O ATOM 1581 CB CYS A 129 15.673 -8.815 -53.656 1.00 52.30 C ATOM 1582 SG CYS A 129 16.851 -7.897 -52.621 1.00 61.22 S ATOM 0 H CYS A 129 14.519 -10.285 -55.181 1.00 55.52 H new ATOM 0 HA CYS A 129 15.779 -7.742 -55.533 1.00 22.55 H new ATOM 0 HB2 CYS A 129 14.671 -8.432 -53.463 1.00 52.30 H new ATOM 0 HB3 CYS A 129 15.680 -9.860 -53.345 1.00 52.30 H new ATOM 1587 N LEU A 130 17.651 -10.425 -55.547 1.00 0.44 N ATOM 1588 CA LEU A 130 19.004 -10.921 -55.768 1.00 71.21 C ATOM 1589 C LEU A 130 19.543 -10.354 -57.070 1.00 51.10 C ATOM 1590 O LEU A 130 20.647 -9.801 -57.120 1.00 41.43 O ATOM 1591 CB LEU A 130 18.987 -12.457 -55.801 1.00 32.01 C ATOM 1592 CG LEU A 130 20.350 -13.165 -55.807 1.00 2.44 C ATOM 1593 CD1 LEU A 130 20.193 -14.593 -55.309 1.00 13.43 C ATOM 1594 CD2 LEU A 130 20.961 -13.179 -57.200 1.00 44.11 C ATOM 0 H LEU A 130 16.945 -11.157 -55.466 1.00 0.44 H new ATOM 0 HA LEU A 130 19.657 -10.601 -54.956 1.00 71.21 H new ATOM 0 HB2 LEU A 130 18.425 -12.809 -54.936 1.00 32.01 H new ATOM 0 HB3 LEU A 130 18.437 -12.772 -56.688 1.00 32.01 H new ATOM 0 HG LEU A 130 21.017 -12.613 -55.145 1.00 2.44 H new ATOM 0 HD11 LEU A 130 21.163 -15.089 -55.316 1.00 13.43 H new ATOM 0 HD12 LEU A 130 19.798 -14.583 -54.293 1.00 13.43 H new ATOM 0 HD13 LEU A 130 19.505 -15.132 -55.961 1.00 13.43 H new ATOM 0 HD21 LEU A 130 21.925 -13.687 -57.169 1.00 44.11 H new ATOM 0 HD22 LEU A 130 20.295 -13.705 -57.884 1.00 44.11 H new ATOM 0 HD23 LEU A 130 21.102 -12.155 -57.546 1.00 44.11 H new ATOM 1606 N ASN A 131 18.749 -10.497 -58.115 1.00 21.42 N ATOM 1607 CA ASN A 131 19.074 -9.941 -59.418 1.00 54.13 C ATOM 1608 C ASN A 131 19.248 -8.428 -59.372 1.00 10.32 C ATOM 1609 O ASN A 131 20.057 -7.874 -60.113 1.00 33.45 O ATOM 1610 CB ASN A 131 17.982 -10.299 -60.417 1.00 54.13 C ATOM 1611 CG ASN A 131 18.000 -11.766 -60.799 1.00 75.14 C ATOM 1612 OD1 ASN A 131 19.048 -12.413 -60.787 1.00 74.01 O ATOM 1613 ND2 ASN A 131 16.841 -12.298 -61.151 1.00 42.24 N ATOM 0 H ASN A 131 17.862 -11.000 -58.086 1.00 21.42 H new ATOM 0 HA ASN A 131 20.025 -10.373 -59.729 1.00 54.13 H new ATOM 0 HB2 ASN A 131 17.010 -10.050 -59.992 1.00 54.13 H new ATOM 0 HB3 ASN A 131 18.102 -9.692 -61.314 1.00 54.13 H new ATOM 0 HD21 ASN A 131 16.793 -13.279 -61.426 1.00 42.24 H new ATOM 0 HD22 ASN A 131 15.996 -11.727 -61.147 1.00 42.24 H new ATOM 1620 N ALA A 132 18.516 -7.768 -58.484 1.00 30.00 N ATOM 1621 CA ALA A 132 18.556 -6.314 -58.415 1.00 30.32 C ATOM 1622 C ALA A 132 19.810 -5.866 -57.676 1.00 34.01 C ATOM 1623 O ALA A 132 20.584 -5.056 -58.170 1.00 2.42 O ATOM 1624 CB ALA A 132 17.308 -5.772 -57.730 1.00 34.44 C ATOM 0 H ALA A 132 17.894 -8.211 -57.808 1.00 30.00 H new ATOM 0 HA ALA A 132 18.583 -5.916 -59.429 1.00 30.32 H new ATOM 0 HB1 ALA A 132 17.359 -4.684 -57.689 1.00 34.44 H new ATOM 0 HB2 ALA A 132 16.424 -6.073 -58.293 1.00 34.44 H new ATOM 0 HB3 ALA A 132 17.247 -6.171 -56.717 1.00 34.44 H new ATOM 1630 N ILE A 133 20.001 -6.441 -56.495 1.00 54.02 N ATOM 1631 CA ILE A 133 21.130 -6.122 -55.627 1.00 31.14 C ATOM 1632 C ILE A 133 22.458 -6.130 -56.387 1.00 64.12 C ATOM 1633 O ILE A 133 23.290 -5.244 -56.190 1.00 14.15 O ATOM 1634 CB ILE A 133 21.208 -7.099 -54.425 1.00 71.14 C ATOM 1635 CG1 ILE A 133 20.021 -6.877 -53.481 1.00 33.21 C ATOM 1636 CG2 ILE A 133 22.524 -6.950 -53.670 1.00 41.14 C ATOM 1637 CD1 ILE A 133 19.947 -5.474 -52.910 1.00 5.42 C ATOM 0 H ILE A 133 19.373 -7.146 -56.109 1.00 54.02 H new ATOM 0 HA ILE A 133 20.959 -5.113 -55.253 1.00 31.14 H new ATOM 0 HB ILE A 133 21.163 -8.115 -54.816 1.00 71.14 H new ATOM 0 HG12 ILE A 133 19.097 -7.090 -54.018 1.00 33.21 H new ATOM 0 HG13 ILE A 133 20.084 -7.591 -52.660 1.00 33.21 H new ATOM 0 HG21 ILE A 133 22.545 -7.649 -52.834 1.00 41.14 H new ATOM 0 HG22 ILE A 133 23.355 -7.163 -54.342 1.00 41.14 H new ATOM 0 HG23 ILE A 133 22.614 -5.931 -53.293 1.00 41.14 H new ATOM 0 HD11 ILE A 133 19.082 -5.394 -52.252 1.00 5.42 H new ATOM 0 HD12 ILE A 133 20.854 -5.263 -52.344 1.00 5.42 H new ATOM 0 HD13 ILE A 133 19.852 -4.755 -53.723 1.00 5.42 H new ATOM 1649 N LYS A 134 22.650 -7.087 -57.289 1.00 31.00 N ATOM 1650 CA LYS A 134 23.930 -7.213 -57.971 1.00 70.55 C ATOM 1651 C LYS A 134 24.067 -6.176 -59.089 1.00 62.33 C ATOM 1652 O LYS A 134 25.154 -5.643 -59.316 1.00 4.32 O ATOM 1653 CB LYS A 134 24.122 -8.638 -58.501 1.00 50.44 C ATOM 1654 CG LYS A 134 23.034 -9.112 -59.450 1.00 14.31 C ATOM 1655 CD LYS A 134 23.068 -10.623 -59.614 1.00 64.21 C ATOM 1656 CE LYS A 134 24.418 -11.114 -60.116 1.00 22.21 C ATOM 1657 NZ LYS A 134 24.713 -10.640 -61.493 1.00 53.53 N ATOM 0 H LYS A 134 21.948 -7.775 -57.561 1.00 31.00 H new ATOM 0 HA LYS A 134 24.721 -7.015 -57.248 1.00 70.55 H new ATOM 0 HB2 LYS A 134 25.083 -8.695 -59.013 1.00 50.44 H new ATOM 0 HB3 LYS A 134 24.171 -9.323 -57.654 1.00 50.44 H new ATOM 0 HG2 LYS A 134 22.059 -8.806 -59.071 1.00 14.31 H new ATOM 0 HG3 LYS A 134 23.162 -8.635 -60.422 1.00 14.31 H new ATOM 0 HD2 LYS A 134 22.843 -11.096 -58.658 1.00 64.21 H new ATOM 0 HD3 LYS A 134 22.289 -10.929 -60.312 1.00 64.21 H new ATOM 0 HE2 LYS A 134 25.201 -10.771 -59.440 1.00 22.21 H new ATOM 0 HE3 LYS A 134 24.436 -12.204 -60.097 1.00 22.21 H new ATOM 0 HZ1 LYS A 134 25.618 -11.041 -61.812 1.00 53.53 H new ATOM 0 HZ2 LYS A 134 23.954 -10.945 -62.135 1.00 53.53 H new ATOM 0 HZ3 LYS A 134 24.773 -9.602 -61.497 1.00 53.53 H new ATOM 1671 N GLU A 135 22.960 -5.874 -59.773 1.00 34.31 N ATOM 1672 CA GLU A 135 22.985 -4.914 -60.875 1.00 43.21 C ATOM 1673 C GLU A 135 23.055 -3.486 -60.340 1.00 15.33 C ATOM 1674 O GLU A 135 23.536 -2.578 -61.019 1.00 33.02 O ATOM 1675 CB GLU A 135 21.760 -5.084 -61.789 1.00 30.15 C ATOM 1676 CG GLU A 135 20.430 -4.730 -61.138 1.00 3.43 C ATOM 1677 CD GLU A 135 19.247 -4.879 -62.078 1.00 51.44 C ATOM 1678 OE1 GLU A 135 18.951 -3.920 -62.825 1.00 13.33 O ATOM 1679 OE2 GLU A 135 18.601 -5.947 -62.069 1.00 3.23 O ATOM 0 H GLU A 135 22.043 -6.278 -59.584 1.00 34.31 H new ATOM 0 HA GLU A 135 23.878 -5.110 -61.468 1.00 43.21 H new ATOM 0 HB2 GLU A 135 21.894 -4.461 -62.674 1.00 30.15 H new ATOM 0 HB3 GLU A 135 21.719 -6.118 -62.131 1.00 30.15 H new ATOM 0 HG2 GLU A 135 20.277 -5.368 -60.268 1.00 3.43 H new ATOM 0 HG3 GLU A 135 20.472 -3.703 -60.776 1.00 3.43 H new ATOM 1686 N LYS A 136 22.576 -3.300 -59.115 1.00 32.03 N ATOM 1687 CA LYS A 136 22.612 -1.998 -58.462 1.00 4.41 C ATOM 1688 C LYS A 136 24.043 -1.604 -58.134 1.00 54.22 C ATOM 1689 O LYS A 136 24.457 -0.467 -58.353 1.00 14.10 O ATOM 1690 CB LYS A 136 21.771 -2.026 -57.180 1.00 34.32 C ATOM 1691 CG LYS A 136 20.284 -2.239 -57.423 1.00 71.51 C ATOM 1692 CD LYS A 136 19.525 -0.926 -57.539 1.00 64.11 C ATOM 1693 CE LYS A 136 20.086 -0.021 -58.622 1.00 53.34 C ATOM 1694 NZ LYS A 136 19.420 1.305 -58.620 1.00 33.50 N ATOM 0 H LYS A 136 22.156 -4.040 -58.552 1.00 32.03 H new ATOM 0 HA LYS A 136 22.195 -1.259 -59.146 1.00 4.41 H new ATOM 0 HB2 LYS A 136 22.141 -2.821 -56.532 1.00 34.32 H new ATOM 0 HB3 LYS A 136 21.911 -1.087 -56.645 1.00 34.32 H new ATOM 0 HG2 LYS A 136 20.146 -2.818 -58.336 1.00 71.51 H new ATOM 0 HG3 LYS A 136 19.865 -2.828 -56.607 1.00 71.51 H new ATOM 0 HD2 LYS A 136 18.476 -1.134 -57.752 1.00 64.11 H new ATOM 0 HD3 LYS A 136 19.559 -0.405 -56.582 1.00 64.11 H new ATOM 0 HE2 LYS A 136 21.158 0.108 -58.471 1.00 53.34 H new ATOM 0 HE3 LYS A 136 19.956 -0.493 -59.596 1.00 53.34 H new ATOM 0 HZ1 LYS A 136 20.110 2.040 -58.874 1.00 33.50 H new ATOM 0 HZ2 LYS A 136 18.644 1.305 -59.312 1.00 33.50 H new ATOM 0 HZ3 LYS A 136 19.039 1.501 -57.672 1.00 33.50 H new ATOM 1708 N TYR A 137 24.807 -2.563 -57.634 1.00 62.31 N ATOM 1709 CA TYR A 137 26.186 -2.307 -57.244 1.00 71.40 C ATOM 1710 C TYR A 137 27.132 -2.717 -58.366 1.00 11.51 C ATOM 1711 O TYR A 137 28.308 -2.994 -58.136 1.00 65.41 O ATOM 1712 CB TYR A 137 26.534 -3.066 -55.958 1.00 60.52 C ATOM 1713 CG TYR A 137 25.507 -2.914 -54.857 1.00 2.55 C ATOM 1714 CD1 TYR A 137 24.911 -1.687 -54.593 1.00 41.50 C ATOM 1715 CD2 TYR A 137 25.124 -4.006 -54.095 1.00 14.30 C ATOM 1716 CE1 TYR A 137 23.962 -1.556 -53.598 1.00 75.53 C ATOM 1717 CE2 TYR A 137 24.175 -3.886 -53.102 1.00 21.14 C ATOM 1718 CZ TYR A 137 23.598 -2.659 -52.856 1.00 13.25 C ATOM 1719 OH TYR A 137 22.645 -2.541 -51.872 1.00 41.23 O ATOM 0 H TYR A 137 24.497 -3.524 -57.489 1.00 62.31 H new ATOM 0 HA TYR A 137 26.299 -1.239 -57.056 1.00 71.40 H new ATOM 0 HB2 TYR A 137 26.647 -4.125 -56.192 1.00 60.52 H new ATOM 0 HB3 TYR A 137 27.499 -2.716 -55.592 1.00 60.52 H new ATOM 0 HD1 TYR A 137 25.194 -0.822 -55.175 1.00 41.50 H new ATOM 0 HD2 TYR A 137 25.577 -4.968 -54.282 1.00 14.30 H new ATOM 0 HE1 TYR A 137 23.508 -0.596 -53.403 1.00 75.53 H new ATOM 0 HE2 TYR A 137 23.886 -4.749 -52.520 1.00 21.14 H new ATOM 0 HH TYR A 137 22.332 -3.432 -51.612 1.00 41.23 H new ATOM 1729 N LYS A 138 26.606 -2.748 -59.582 1.00 73.32 N ATOM 1730 CA LYS A 138 27.387 -3.125 -60.752 1.00 41.42 C ATOM 1731 C LYS A 138 28.396 -2.027 -61.082 1.00 4.23 C ATOM 1732 O LYS A 138 28.087 -0.841 -60.959 1.00 14.22 O ATOM 1733 CB LYS A 138 26.460 -3.358 -61.950 1.00 30.20 C ATOM 1734 CG LYS A 138 27.155 -3.944 -63.169 1.00 5.54 C ATOM 1735 CD LYS A 138 26.246 -3.960 -64.387 1.00 35.23 C ATOM 1736 CE LYS A 138 24.978 -4.756 -64.136 1.00 23.24 C ATOM 1737 NZ LYS A 138 24.120 -4.818 -65.346 1.00 62.22 N ATOM 0 H LYS A 138 25.634 -2.515 -59.785 1.00 73.32 H new ATOM 0 HA LYS A 138 27.924 -4.048 -60.535 1.00 41.42 H new ATOM 0 HB2 LYS A 138 25.655 -4.027 -61.648 1.00 30.20 H new ATOM 0 HB3 LYS A 138 25.999 -2.410 -62.229 1.00 30.20 H new ATOM 0 HG2 LYS A 138 28.050 -3.362 -63.391 1.00 5.54 H new ATOM 0 HG3 LYS A 138 27.482 -4.960 -62.947 1.00 5.54 H new ATOM 0 HD2 LYS A 138 25.985 -2.937 -64.659 1.00 35.23 H new ATOM 0 HD3 LYS A 138 26.782 -4.388 -65.234 1.00 35.23 H new ATOM 0 HE2 LYS A 138 25.239 -5.767 -63.823 1.00 23.24 H new ATOM 0 HE3 LYS A 138 24.420 -4.303 -63.317 1.00 23.24 H new ATOM 0 HZ1 LYS A 138 23.264 -5.369 -65.136 1.00 62.22 H new ATOM 0 HZ2 LYS A 138 23.850 -3.855 -65.630 1.00 62.22 H new ATOM 0 HZ3 LYS A 138 24.644 -5.273 -66.120 1.00 62.22 H new