USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=21 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 Single : A 45 SER OG : rot 96:sc= 1.31 USER MOD Single : A 49 THR OG1 : rot -46:sc= 0.278 USER MOD Single : A 52 SER OG : rot 180:sc= 0.0183 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 K(o=0,f=-0.75) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 158:sc= 0.52 (180deg=-0.232) USER MOD Single : A 68 TYR OH : rot -15:sc= 0.349 USER MOD Single : A 71 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.29) USER MOD Single : A 75 THR OG1 : rot -103:sc= 1.69 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= -0.0215 (180deg=-0.222) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 138:sc= 0.884 (180deg=0.149) 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+ 161:sc= -0.106 (180deg=-0.478) USER MOD Single : A 104 THR OG1 : rot -35:sc= 0.14 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0854 F(o=-1!,f=-0.085) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 LYS NZ :NH3+ 163:sc= 0.206 (180deg=-0.104) 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 -140:sc=-0.00495 USER MOD Single : A 128 LYS NZ :NH3+ -169:sc= 1.29 (180deg=1.12) USER MOD Single : A 131 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ -162:sc= -0.0682 (180deg=-0.389) USER MOD ----------------------------------------------------------------- ATOM 222 N PRO A 41 3.322 -10.523 -26.052 1.00 71.20 N ATOM 223 CA PRO A 41 4.758 -10.775 -25.935 1.00 32.45 C ATOM 224 C PRO A 41 5.296 -11.516 -27.157 1.00 15.51 C ATOM 225 O PRO A 41 4.570 -11.723 -28.129 1.00 12.23 O ATOM 226 CB PRO A 41 4.842 -11.654 -24.690 1.00 31.25 C ATOM 227 CG PRO A 41 3.566 -12.422 -24.694 1.00 62.23 C ATOM 228 CD PRO A 41 2.526 -11.508 -25.288 1.00 11.20 C ATOM 0 HA PRO A 41 5.349 -9.861 -25.869 1.00 32.45 H new ATOM 0 HB2 PRO A 41 5.706 -12.318 -24.729 1.00 31.25 H new ATOM 0 HB3 PRO A 41 4.942 -11.054 -23.786 1.00 31.25 H new ATOM 0 HG2 PRO A 41 3.663 -13.335 -25.282 1.00 62.23 H new ATOM 0 HG3 PRO A 41 3.289 -12.722 -23.683 1.00 62.23 H new ATOM 0 HD2 PRO A 41 1.836 -12.052 -25.933 1.00 11.20 H new ATOM 0 HD3 PRO A 41 1.927 -11.026 -24.515 1.00 11.20 H new ATOM 236 N LEU A 42 6.565 -11.902 -27.121 1.00 72.30 N ATOM 237 CA LEU A 42 7.114 -12.749 -28.171 1.00 23.21 C ATOM 238 C LEU A 42 6.494 -14.134 -28.071 1.00 54.22 C ATOM 239 O LEU A 42 6.883 -14.937 -27.220 1.00 61.04 O ATOM 240 CB LEU A 42 8.644 -12.848 -28.077 1.00 62.52 C ATOM 241 CG LEU A 42 9.428 -11.655 -28.639 1.00 20.32 C ATOM 242 CD1 LEU A 42 9.230 -10.413 -27.786 1.00 25.11 C ATOM 243 CD2 LEU A 42 10.906 -11.994 -28.747 1.00 0.02 C ATOM 0 H LEU A 42 7.225 -11.646 -26.387 1.00 72.30 H new ATOM 0 HA LEU A 42 6.874 -12.301 -29.135 1.00 23.21 H new ATOM 0 HB2 LEU A 42 8.917 -12.976 -27.030 1.00 62.52 H new ATOM 0 HB3 LEU A 42 8.964 -13.748 -28.602 1.00 62.52 H new ATOM 0 HG LEU A 42 9.043 -11.442 -29.636 1.00 20.32 H new ATOM 0 HD11 LEU A 42 9.798 -9.586 -28.211 1.00 25.11 H new ATOM 0 HD12 LEU A 42 8.172 -10.152 -27.763 1.00 25.11 H new ATOM 0 HD13 LEU A 42 9.578 -10.609 -26.772 1.00 25.11 H new ATOM 0 HD21 LEU A 42 11.448 -11.137 -29.147 1.00 0.02 H new ATOM 0 HD22 LEU A 42 11.296 -12.241 -27.759 1.00 0.02 H new ATOM 0 HD23 LEU A 42 11.036 -12.848 -29.412 1.00 0.02 H new ATOM 255 N ASP A 43 5.500 -14.389 -28.907 1.00 11.22 N ATOM 256 CA ASP A 43 4.774 -15.646 -28.867 1.00 11.52 C ATOM 257 C ASP A 43 4.606 -16.207 -30.274 1.00 40.33 C ATOM 258 O ASP A 43 5.083 -15.618 -31.248 1.00 3.20 O ATOM 259 CB ASP A 43 3.403 -15.451 -28.206 1.00 3.33 C ATOM 260 CG ASP A 43 2.337 -14.968 -29.173 1.00 1.05 C ATOM 261 OD1 ASP A 43 2.386 -13.795 -29.597 1.00 40.40 O ATOM 262 OD2 ASP A 43 1.447 -15.778 -29.519 1.00 63.21 O ATOM 0 H ASP A 43 5.178 -13.739 -29.624 1.00 11.22 H new ATOM 0 HA ASP A 43 5.348 -16.358 -28.274 1.00 11.52 H new ATOM 0 HB2 ASP A 43 3.083 -16.394 -27.763 1.00 3.33 H new ATOM 0 HB3 ASP A 43 3.498 -14.733 -27.392 1.00 3.33 H new ATOM 267 N ALA A 44 3.907 -17.330 -30.372 1.00 42.40 N ATOM 268 CA ALA A 44 3.730 -18.027 -31.638 1.00 65.41 C ATOM 269 C ALA A 44 2.945 -17.189 -32.646 1.00 32.32 C ATOM 270 O ALA A 44 3.204 -17.262 -33.846 1.00 23.45 O ATOM 271 CB ALA A 44 3.038 -19.363 -31.412 1.00 2.23 C ATOM 0 H ALA A 44 3.449 -17.781 -29.580 1.00 42.40 H new ATOM 0 HA ALA A 44 4.721 -18.201 -32.057 1.00 65.41 H new ATOM 0 HB1 ALA A 44 2.912 -19.874 -32.367 1.00 2.23 H new ATOM 0 HB2 ALA A 44 3.644 -19.979 -30.748 1.00 2.23 H new ATOM 0 HB3 ALA A 44 2.061 -19.195 -30.959 1.00 2.23 H new ATOM 277 N SER A 45 2.003 -16.384 -32.156 1.00 32.22 N ATOM 278 CA SER A 45 1.133 -15.591 -33.028 1.00 32.34 C ATOM 279 C SER A 45 1.948 -14.642 -33.905 1.00 54.22 C ATOM 280 O SER A 45 1.597 -14.386 -35.060 1.00 4.43 O ATOM 281 CB SER A 45 0.132 -14.795 -32.192 1.00 55.32 C ATOM 282 OG SER A 45 -0.488 -15.621 -31.223 1.00 2.50 O ATOM 0 H SER A 45 1.822 -16.263 -31.160 1.00 32.22 H new ATOM 0 HA SER A 45 0.593 -16.279 -33.678 1.00 32.34 H new ATOM 0 HB2 SER A 45 0.642 -13.968 -31.698 1.00 55.32 H new ATOM 0 HB3 SER A 45 -0.626 -14.359 -32.843 1.00 55.32 H new ATOM 0 HG SER A 45 -0.020 -15.529 -30.367 1.00 2.50 H new ATOM 288 N PHE A 46 3.042 -14.137 -33.352 1.00 25.13 N ATOM 289 CA PHE A 46 3.934 -13.245 -34.081 1.00 71.02 C ATOM 290 C PHE A 46 4.576 -13.973 -35.260 1.00 5.43 C ATOM 291 O PHE A 46 4.692 -13.427 -36.357 1.00 15.40 O ATOM 292 CB PHE A 46 5.011 -12.702 -33.133 1.00 20.13 C ATOM 293 CG PHE A 46 6.023 -11.813 -33.800 1.00 70.05 C ATOM 294 CD1 PHE A 46 5.683 -10.528 -34.188 1.00 74.11 C ATOM 295 CD2 PHE A 46 7.312 -12.264 -34.041 1.00 3.12 C ATOM 296 CE1 PHE A 46 6.609 -9.708 -34.804 1.00 73.34 C ATOM 297 CE2 PHE A 46 8.242 -11.448 -34.656 1.00 62.00 C ATOM 298 CZ PHE A 46 7.890 -10.168 -35.039 1.00 50.33 C ATOM 0 H PHE A 46 3.335 -14.331 -32.394 1.00 25.13 H new ATOM 0 HA PHE A 46 3.354 -12.410 -34.474 1.00 71.02 H new ATOM 0 HB2 PHE A 46 4.527 -12.145 -32.331 1.00 20.13 H new ATOM 0 HB3 PHE A 46 5.530 -13.542 -32.670 1.00 20.13 H new ATOM 0 HD1 PHE A 46 4.683 -10.163 -34.007 1.00 74.11 H new ATOM 0 HD2 PHE A 46 7.592 -13.264 -33.745 1.00 3.12 H new ATOM 0 HE1 PHE A 46 6.331 -8.708 -35.102 1.00 73.34 H new ATOM 0 HE2 PHE A 46 9.243 -11.810 -34.837 1.00 62.00 H new ATOM 0 HZ PHE A 46 8.615 -9.529 -35.521 1.00 50.33 H new ATOM 308 N CYS A 47 4.952 -15.220 -35.037 1.00 34.11 N ATOM 309 CA CYS A 47 5.679 -15.986 -36.037 1.00 1.44 C ATOM 310 C CYS A 47 4.738 -16.724 -36.984 1.00 44.03 C ATOM 311 O CYS A 47 5.177 -17.287 -37.987 1.00 20.42 O ATOM 312 CB CYS A 47 6.607 -16.980 -35.352 1.00 54.53 C ATOM 313 SG CYS A 47 7.768 -16.212 -34.178 1.00 63.22 S ATOM 0 H CYS A 47 4.766 -15.726 -34.171 1.00 34.11 H new ATOM 0 HA CYS A 47 6.263 -15.284 -36.632 1.00 1.44 H new ATOM 0 HB2 CYS A 47 6.006 -17.719 -34.823 1.00 54.53 H new ATOM 0 HB3 CYS A 47 7.175 -17.516 -36.112 1.00 54.53 H new ATOM 318 N ARG A 48 3.447 -16.718 -36.669 1.00 32.53 N ATOM 319 CA ARG A 48 2.450 -17.374 -37.511 1.00 72.51 C ATOM 320 C ARG A 48 2.440 -16.776 -38.914 1.00 40.31 C ATOM 321 O ARG A 48 2.220 -17.478 -39.898 1.00 54.45 O ATOM 322 CB ARG A 48 1.057 -17.253 -36.892 1.00 1.24 C ATOM 323 CG ARG A 48 0.857 -18.091 -35.638 1.00 73.51 C ATOM 324 CD ARG A 48 0.946 -19.579 -35.936 1.00 61.01 C ATOM 325 NE ARG A 48 -0.042 -19.992 -36.929 1.00 71.35 N ATOM 326 CZ ARG A 48 -0.279 -21.257 -37.272 1.00 35.20 C ATOM 327 NH1 ARG A 48 0.362 -22.253 -36.669 1.00 63.13 N ATOM 328 NH2 ARG A 48 -1.171 -21.521 -38.213 1.00 23.44 N ATOM 0 H ARG A 48 3.066 -16.267 -35.838 1.00 32.53 H new ATOM 0 HA ARG A 48 2.719 -18.428 -37.581 1.00 72.51 H new ATOM 0 HB2 ARG A 48 0.869 -16.207 -36.650 1.00 1.24 H new ATOM 0 HB3 ARG A 48 0.315 -17.547 -37.634 1.00 1.24 H new ATOM 0 HG2 ARG A 48 1.610 -17.823 -34.897 1.00 73.51 H new ATOM 0 HG3 ARG A 48 -0.115 -17.865 -35.201 1.00 73.51 H new ATOM 0 HD2 ARG A 48 1.946 -19.818 -36.297 1.00 61.01 H new ATOM 0 HD3 ARG A 48 0.795 -20.144 -35.016 1.00 61.01 H new ATOM 0 HE ARG A 48 -0.587 -19.263 -37.390 1.00 71.35 H new ATOM 0 HH11 ARG A 48 1.043 -22.052 -35.936 1.00 63.13 H new ATOM 0 HH12 ARG A 48 0.173 -23.218 -36.939 1.00 63.13 H new ATOM 0 HH21 ARG A 48 -1.671 -20.758 -38.670 1.00 23.44 H new ATOM 0 HH22 ARG A 48 -1.358 -22.487 -38.482 1.00 23.44 H new ATOM 342 N THR A 49 2.711 -15.482 -38.997 1.00 12.44 N ATOM 343 CA THR A 49 2.659 -14.769 -40.263 1.00 33.13 C ATOM 344 C THR A 49 3.938 -14.993 -41.082 1.00 23.23 C ATOM 345 O THR A 49 4.102 -14.431 -42.169 1.00 35.21 O ATOM 346 CB THR A 49 2.434 -13.257 -40.026 1.00 33.42 C ATOM 347 OG1 THR A 49 2.074 -12.602 -41.249 1.00 61.13 O ATOM 348 CG2 THR A 49 3.676 -12.600 -39.437 1.00 41.01 C ATOM 0 H THR A 49 2.970 -14.903 -38.198 1.00 12.44 H new ATOM 0 HA THR A 49 1.819 -15.165 -40.833 1.00 33.13 H new ATOM 0 HB THR A 49 1.617 -13.154 -39.312 1.00 33.42 H new ATOM 0 HG1 THR A 49 2.674 -12.896 -41.966 1.00 61.13 H new ATOM 0 HG21 THR A 49 3.487 -11.538 -39.282 1.00 41.01 H new ATOM 0 HG22 THR A 49 3.918 -13.069 -38.483 1.00 41.01 H new ATOM 0 HG23 THR A 49 4.513 -12.723 -40.124 1.00 41.01 H new ATOM 356 N ALA A 50 4.843 -15.816 -40.560 1.00 31.21 N ATOM 357 CA ALA A 50 6.096 -16.107 -41.246 1.00 33.13 C ATOM 358 C ALA A 50 5.950 -17.329 -42.146 1.00 62.32 C ATOM 359 O ALA A 50 6.681 -17.484 -43.123 1.00 55.23 O ATOM 360 CB ALA A 50 7.219 -16.316 -40.240 1.00 12.23 C ATOM 0 H ALA A 50 4.731 -16.292 -39.665 1.00 31.21 H new ATOM 0 HA ALA A 50 6.348 -15.251 -41.872 1.00 33.13 H new ATOM 0 HB1 ALA A 50 8.147 -16.532 -40.770 1.00 12.23 H new ATOM 0 HB2 ALA A 50 7.345 -15.413 -39.642 1.00 12.23 H new ATOM 0 HB3 ALA A 50 6.971 -17.152 -39.587 1.00 12.23 H new ATOM 366 N GLY A 51 4.999 -18.192 -41.806 1.00 34.11 N ATOM 367 CA GLY A 51 4.742 -19.376 -42.606 1.00 23.35 C ATOM 368 C GLY A 51 5.818 -20.438 -42.461 1.00 63.45 C ATOM 369 O GLY A 51 5.662 -21.392 -41.697 1.00 63.44 O ATOM 0 H GLY A 51 4.399 -18.092 -40.987 1.00 34.11 H new ATOM 0 HA2 GLY A 51 3.780 -19.800 -42.318 1.00 23.35 H new ATOM 0 HA3 GLY A 51 4.662 -19.089 -43.654 1.00 23.35 H new ATOM 373 N SER A 52 6.918 -20.265 -43.183 1.00 22.35 N ATOM 374 CA SER A 52 8.010 -21.229 -43.183 1.00 41.12 C ATOM 375 C SER A 52 8.695 -21.275 -41.822 1.00 21.30 C ATOM 376 O SER A 52 8.887 -22.346 -41.240 1.00 52.43 O ATOM 377 CB SER A 52 9.017 -20.852 -44.274 1.00 1.51 C ATOM 378 OG SER A 52 9.316 -19.465 -44.234 1.00 70.53 O ATOM 0 H SER A 52 7.078 -19.456 -43.783 1.00 22.35 H new ATOM 0 HA SER A 52 7.607 -22.221 -43.387 1.00 41.12 H new ATOM 0 HB2 SER A 52 9.933 -21.429 -44.144 1.00 1.51 H new ATOM 0 HB3 SER A 52 8.613 -21.112 -45.252 1.00 1.51 H new ATOM 0 HG SER A 52 9.962 -19.249 -44.939 1.00 70.53 H new ATOM 384 N ARG A 53 9.017 -20.099 -41.306 1.00 41.12 N ATOM 385 CA ARG A 53 9.739 -19.973 -40.048 1.00 43.51 C ATOM 386 C ARG A 53 8.795 -20.082 -38.852 1.00 3.43 C ATOM 387 O ARG A 53 9.205 -19.925 -37.701 1.00 31.23 O ATOM 388 CB ARG A 53 10.503 -18.649 -40.026 1.00 53.20 C ATOM 389 CG ARG A 53 11.647 -18.613 -41.026 1.00 3.32 C ATOM 390 CD ARG A 53 12.190 -17.208 -41.228 1.00 30.32 C ATOM 391 NE ARG A 53 13.372 -17.201 -42.089 1.00 62.14 N ATOM 392 CZ ARG A 53 13.888 -16.105 -42.648 1.00 33.14 C ATOM 393 NH1 ARG A 53 13.366 -14.914 -42.386 1.00 31.51 N ATOM 394 NH2 ARG A 53 14.949 -16.203 -43.441 1.00 1.12 N ATOM 0 H ARG A 53 8.787 -19.208 -41.745 1.00 41.12 H new ATOM 0 HA ARG A 53 10.451 -20.794 -39.971 1.00 43.51 H new ATOM 0 HB2 ARG A 53 9.813 -17.833 -40.241 1.00 53.20 H new ATOM 0 HB3 ARG A 53 10.897 -18.478 -39.024 1.00 53.20 H new ATOM 0 HG2 ARG A 53 12.450 -19.265 -40.681 1.00 3.32 H new ATOM 0 HG3 ARG A 53 11.304 -19.009 -41.982 1.00 3.32 H new ATOM 0 HD2 ARG A 53 11.416 -16.579 -41.668 1.00 30.32 H new ATOM 0 HD3 ARG A 53 12.442 -16.773 -40.261 1.00 30.32 H new ATOM 0 HE ARG A 53 13.832 -18.092 -42.274 1.00 62.14 H new ATOM 0 HH11 ARG A 53 12.568 -14.834 -41.756 1.00 31.51 H new ATOM 0 HH12 ARG A 53 13.763 -14.078 -42.815 1.00 31.51 H new ATOM 0 HH21 ARG A 53 15.368 -17.115 -43.622 1.00 1.12 H new ATOM 0 HH22 ARG A 53 15.345 -15.366 -43.869 1.00 1.12 H new ATOM 408 N GLU A 54 7.531 -20.368 -39.134 1.00 45.31 N ATOM 409 CA GLU A 54 6.543 -20.599 -38.091 1.00 43.44 C ATOM 410 C GLU A 54 6.871 -21.894 -37.350 1.00 14.12 C ATOM 411 O GLU A 54 6.728 -21.984 -36.131 1.00 73.13 O ATOM 412 CB GLU A 54 5.139 -20.641 -38.717 1.00 71.43 C ATOM 413 CG GLU A 54 4.012 -21.002 -37.759 1.00 70.44 C ATOM 414 CD GLU A 54 3.704 -22.488 -37.749 1.00 73.24 C ATOM 415 OE1 GLU A 54 3.309 -23.023 -38.807 1.00 52.11 O ATOM 416 OE2 GLU A 54 3.843 -23.124 -36.686 1.00 73.25 O ATOM 0 H GLU A 54 7.165 -20.446 -40.083 1.00 45.31 H new ATOM 0 HA GLU A 54 6.565 -19.786 -37.366 1.00 43.44 H new ATOM 0 HB2 GLU A 54 4.924 -19.666 -39.154 1.00 71.43 H new ATOM 0 HB3 GLU A 54 5.145 -21.362 -39.534 1.00 71.43 H new ATOM 0 HG2 GLU A 54 4.281 -20.684 -36.752 1.00 70.44 H new ATOM 0 HG3 GLU A 54 3.114 -20.451 -38.037 1.00 70.44 H new ATOM 423 N LYS A 55 7.369 -22.874 -38.096 1.00 63.53 N ATOM 424 CA LYS A 55 7.722 -24.172 -37.533 1.00 73.05 C ATOM 425 C LYS A 55 8.925 -24.039 -36.610 1.00 23.44 C ATOM 426 O LYS A 55 9.025 -24.717 -35.585 1.00 41.31 O ATOM 427 CB LYS A 55 8.047 -25.166 -38.649 1.00 14.13 C ATOM 428 CG LYS A 55 6.897 -25.428 -39.606 1.00 0.34 C ATOM 429 CD LYS A 55 7.321 -26.372 -40.718 1.00 3.13 C ATOM 430 CE LYS A 55 6.160 -26.741 -41.626 1.00 71.31 C ATOM 431 NZ LYS A 55 6.575 -27.703 -42.679 1.00 52.10 N ATOM 0 H LYS A 55 7.538 -22.793 -39.099 1.00 63.53 H new ATOM 0 HA LYS A 55 6.869 -24.539 -36.962 1.00 73.05 H new ATOM 0 HB2 LYS A 55 8.899 -24.791 -39.217 1.00 14.13 H new ATOM 0 HB3 LYS A 55 8.354 -26.111 -38.200 1.00 14.13 H new ATOM 0 HG2 LYS A 55 6.056 -25.856 -39.061 1.00 0.34 H new ATOM 0 HG3 LYS A 55 6.553 -24.486 -40.034 1.00 0.34 H new ATOM 0 HD2 LYS A 55 8.109 -25.905 -41.309 1.00 3.13 H new ATOM 0 HD3 LYS A 55 7.743 -27.278 -40.283 1.00 3.13 H new ATOM 0 HE2 LYS A 55 5.356 -27.175 -41.032 1.00 71.31 H new ATOM 0 HE3 LYS A 55 5.761 -25.840 -42.092 1.00 71.31 H new ATOM 0 HZ1 LYS A 55 5.758 -27.933 -43.280 1.00 52.10 H new ATOM 0 HZ2 LYS A 55 7.325 -27.278 -43.261 1.00 52.10 H new ATOM 0 HZ3 LYS A 55 6.933 -28.572 -42.234 1.00 52.10 H new ATOM 445 N ASP A 56 9.834 -23.155 -36.985 1.00 30.33 N ATOM 446 CA ASP A 56 11.039 -22.913 -36.209 1.00 55.24 C ATOM 447 C ASP A 56 10.695 -22.199 -34.914 1.00 44.25 C ATOM 448 O ASP A 56 11.093 -22.625 -33.827 1.00 53.31 O ATOM 449 CB ASP A 56 12.025 -22.060 -37.011 1.00 11.34 C ATOM 450 CG ASP A 56 12.377 -22.673 -38.346 1.00 63.13 C ATOM 451 OD1 ASP A 56 11.651 -22.417 -39.328 1.00 70.13 O ATOM 452 OD2 ASP A 56 13.375 -23.417 -38.422 1.00 51.13 O ATOM 0 H ASP A 56 9.759 -22.588 -37.830 1.00 30.33 H new ATOM 0 HA ASP A 56 11.498 -23.875 -35.980 1.00 55.24 H new ATOM 0 HB2 ASP A 56 11.596 -21.071 -37.172 1.00 11.34 H new ATOM 0 HB3 ASP A 56 12.936 -21.921 -36.429 1.00 11.34 H new ATOM 457 N CYS A 57 9.919 -21.133 -35.042 1.00 4.45 N ATOM 458 CA CYS A 57 9.614 -20.248 -33.925 1.00 23.33 C ATOM 459 C CYS A 57 8.793 -20.934 -32.842 1.00 42.40 C ATOM 460 O CYS A 57 8.993 -20.670 -31.660 1.00 72.22 O ATOM 461 CB CYS A 57 8.866 -19.018 -34.427 1.00 40.41 C ATOM 462 SG CYS A 57 8.494 -17.791 -33.135 1.00 34.22 S ATOM 0 H CYS A 57 9.483 -20.856 -35.922 1.00 4.45 H new ATOM 0 HA CYS A 57 10.565 -19.957 -33.480 1.00 23.33 H new ATOM 0 HB2 CYS A 57 9.459 -18.540 -35.207 1.00 40.41 H new ATOM 0 HB3 CYS A 57 7.932 -19.338 -34.888 1.00 40.41 H new ATOM 467 N ARG A 58 7.899 -21.834 -33.235 1.00 12.21 N ATOM 468 CA ARG A 58 6.975 -22.440 -32.280 1.00 54.45 C ATOM 469 C ARG A 58 7.737 -23.239 -31.226 1.00 52.30 C ATOM 470 O ARG A 58 7.378 -23.231 -30.052 1.00 41.35 O ATOM 471 CB ARG A 58 5.937 -23.314 -32.998 1.00 51.51 C ATOM 472 CG ARG A 58 6.534 -24.422 -33.846 1.00 71.24 C ATOM 473 CD ARG A 58 5.494 -25.045 -34.766 1.00 73.13 C ATOM 474 NE ARG A 58 4.484 -25.813 -34.040 1.00 33.35 N ATOM 475 CZ ARG A 58 3.223 -25.958 -34.448 1.00 5.23 C ATOM 476 NH1 ARG A 58 2.784 -25.299 -35.516 1.00 64.01 N ATOM 477 NH2 ARG A 58 2.390 -26.733 -33.764 1.00 43.34 N ATOM 0 H ARG A 58 7.793 -22.158 -34.196 1.00 12.21 H new ATOM 0 HA ARG A 58 6.437 -21.640 -31.771 1.00 54.45 H new ATOM 0 HB2 ARG A 58 5.276 -23.758 -32.254 1.00 51.51 H new ATOM 0 HB3 ARG A 58 5.321 -22.678 -33.633 1.00 51.51 H new ATOM 0 HG2 ARG A 58 7.355 -24.023 -34.442 1.00 71.24 H new ATOM 0 HG3 ARG A 58 6.955 -25.191 -33.198 1.00 71.24 H new ATOM 0 HD2 ARG A 58 5.003 -24.258 -35.338 1.00 73.13 H new ATOM 0 HD3 ARG A 58 5.993 -25.696 -35.483 1.00 73.13 H new ATOM 0 HE ARG A 58 4.761 -26.265 -33.169 1.00 33.35 H new ATOM 0 HH11 ARG A 58 3.413 -24.679 -36.027 1.00 64.01 H new ATOM 0 HH12 ARG A 58 1.818 -25.413 -35.824 1.00 64.01 H new ATOM 0 HH21 ARG A 58 2.715 -27.217 -32.927 1.00 43.34 H new ATOM 0 HH22 ARG A 58 1.425 -26.844 -34.075 1.00 43.34 H new ATOM 491 N LYS A 59 8.793 -23.925 -31.647 1.00 3.13 N ATOM 492 CA LYS A 59 9.660 -24.639 -30.720 1.00 43.24 C ATOM 493 C LYS A 59 10.641 -23.680 -30.046 1.00 32.31 C ATOM 494 O LYS A 59 10.880 -23.753 -28.840 1.00 71.21 O ATOM 495 CB LYS A 59 10.420 -25.747 -31.452 1.00 2.02 C ATOM 496 CG LYS A 59 10.089 -27.144 -30.953 1.00 43.14 C ATOM 497 CD LYS A 59 10.458 -27.310 -29.488 1.00 11.31 C ATOM 498 CE LYS A 59 10.182 -28.721 -28.995 1.00 13.13 C ATOM 499 NZ LYS A 59 10.606 -28.903 -27.583 1.00 63.34 N ATOM 0 H LYS A 59 9.069 -24.001 -32.626 1.00 3.13 H new ATOM 0 HA LYS A 59 9.037 -25.090 -29.947 1.00 43.24 H new ATOM 0 HB2 LYS A 59 10.195 -25.688 -32.517 1.00 2.02 H new ATOM 0 HB3 LYS A 59 11.491 -25.575 -31.342 1.00 2.02 H new ATOM 0 HG2 LYS A 59 9.025 -27.337 -31.086 1.00 43.14 H new ATOM 0 HG3 LYS A 59 10.624 -27.882 -31.551 1.00 43.14 H new ATOM 0 HD2 LYS A 59 11.514 -27.076 -29.350 1.00 11.31 H new ATOM 0 HD3 LYS A 59 9.893 -26.598 -28.887 1.00 11.31 H new ATOM 0 HE2 LYS A 59 9.117 -28.936 -29.086 1.00 13.13 H new ATOM 0 HE3 LYS A 59 10.707 -29.437 -29.628 1.00 13.13 H new ATOM 0 HZ1 LYS A 59 10.402 -29.877 -27.282 1.00 63.34 H new ATOM 0 HZ2 LYS A 59 11.627 -28.722 -27.501 1.00 63.34 H new ATOM 0 HZ3 LYS A 59 10.086 -28.237 -26.976 1.00 63.34 H new ATOM 513 N ASP A 60 11.195 -22.774 -30.846 1.00 32.41 N ATOM 514 CA ASP A 60 12.271 -21.884 -30.407 1.00 45.54 C ATOM 515 C ASP A 60 11.804 -20.941 -29.298 1.00 12.43 C ATOM 516 O ASP A 60 12.531 -20.694 -28.334 1.00 52.15 O ATOM 517 CB ASP A 60 12.784 -21.079 -31.604 1.00 42.41 C ATOM 518 CG ASP A 60 14.201 -20.578 -31.415 1.00 41.00 C ATOM 519 OD1 ASP A 60 15.134 -21.409 -31.465 1.00 25.44 O ATOM 520 OD2 ASP A 60 14.392 -19.357 -31.253 1.00 44.20 O ATOM 0 H ASP A 60 10.913 -22.634 -31.816 1.00 32.41 H new ATOM 0 HA ASP A 60 13.077 -22.495 -30.000 1.00 45.54 H new ATOM 0 HB2 ASP A 60 12.740 -21.700 -32.499 1.00 42.41 H new ATOM 0 HB3 ASP A 60 12.123 -20.229 -31.774 1.00 42.41 H new ATOM 525 N VAL A 61 10.584 -20.432 -29.436 1.00 35.12 N ATOM 526 CA VAL A 61 10.004 -19.528 -28.446 1.00 2.24 C ATOM 527 C VAL A 61 9.872 -20.214 -27.083 1.00 63.15 C ATOM 528 O VAL A 61 9.952 -19.567 -26.038 1.00 13.22 O ATOM 529 CB VAL A 61 8.627 -18.983 -28.905 1.00 60.44 C ATOM 530 CG1 VAL A 61 7.567 -20.075 -28.925 1.00 5.45 C ATOM 531 CG2 VAL A 61 8.183 -17.822 -28.031 1.00 53.25 C ATOM 0 H VAL A 61 9.974 -20.631 -30.229 1.00 35.12 H new ATOM 0 HA VAL A 61 10.686 -18.683 -28.347 1.00 2.24 H new ATOM 0 HB VAL A 61 8.747 -18.620 -29.926 1.00 60.44 H new ATOM 0 HG11 VAL A 61 6.616 -19.653 -29.252 1.00 5.45 H new ATOM 0 HG12 VAL A 61 7.870 -20.864 -29.614 1.00 5.45 H new ATOM 0 HG13 VAL A 61 7.454 -20.491 -27.924 1.00 5.45 H new ATOM 0 HG21 VAL A 61 7.214 -17.458 -28.374 1.00 53.25 H new ATOM 0 HG22 VAL A 61 8.100 -18.156 -26.997 1.00 53.25 H new ATOM 0 HG23 VAL A 61 8.916 -17.018 -28.094 1.00 53.25 H new ATOM 541 N GLN A 62 9.672 -21.528 -27.102 1.00 70.51 N ATOM 542 CA GLN A 62 9.535 -22.300 -25.875 1.00 53.15 C ATOM 543 C GLN A 62 10.903 -22.599 -25.273 1.00 63.15 C ATOM 544 O GLN A 62 11.039 -22.750 -24.059 1.00 32.14 O ATOM 545 CB GLN A 62 8.798 -23.609 -26.154 1.00 71.03 C ATOM 546 CG GLN A 62 7.394 -23.413 -26.701 1.00 44.02 C ATOM 547 CD GLN A 62 6.723 -24.724 -27.060 1.00 32.20 C ATOM 548 OE1 GLN A 62 7.381 -25.689 -27.450 1.00 21.53 O ATOM 549 NE2 GLN A 62 5.409 -24.772 -26.926 1.00 34.25 N ATOM 0 H GLN A 62 9.601 -22.080 -27.957 1.00 70.51 H new ATOM 0 HA GLN A 62 8.959 -21.709 -25.163 1.00 53.15 H new ATOM 0 HB2 GLN A 62 9.377 -24.198 -26.866 1.00 71.03 H new ATOM 0 HB3 GLN A 62 8.742 -24.188 -25.232 1.00 71.03 H new ATOM 0 HG2 GLN A 62 6.789 -22.890 -25.961 1.00 44.02 H new ATOM 0 HG3 GLN A 62 7.437 -22.777 -27.585 1.00 44.02 H new ATOM 0 HE21 GLN A 62 4.899 -23.951 -26.600 1.00 34.25 H new ATOM 0 HE22 GLN A 62 4.905 -25.630 -27.149 1.00 34.25 H new ATOM 558 N ALA A 63 11.911 -22.685 -26.132 1.00 2.11 N ATOM 559 CA ALA A 63 13.271 -22.958 -25.692 1.00 50.44 C ATOM 560 C ALA A 63 13.857 -21.744 -24.982 1.00 4.15 C ATOM 561 O ALA A 63 14.552 -21.872 -23.972 1.00 32.15 O ATOM 562 CB ALA A 63 14.143 -23.358 -26.872 1.00 22.24 C ATOM 0 H ALA A 63 11.810 -22.569 -27.140 1.00 2.11 H new ATOM 0 HA ALA A 63 13.244 -23.789 -24.987 1.00 50.44 H new ATOM 0 HB1 ALA A 63 15.156 -23.558 -26.524 1.00 22.24 H new ATOM 0 HB2 ALA A 63 13.735 -24.255 -27.338 1.00 22.24 H new ATOM 0 HB3 ALA A 63 14.163 -22.548 -27.601 1.00 22.24 H new ATOM 568 N CYS A 64 13.574 -20.568 -25.524 1.00 14.02 N ATOM 569 CA CYS A 64 14.002 -19.319 -24.915 1.00 12.21 C ATOM 570 C CYS A 64 12.926 -18.851 -23.938 1.00 54.11 C ATOM 571 O CYS A 64 11.951 -18.207 -24.328 1.00 44.01 O ATOM 572 CB CYS A 64 14.248 -18.268 -26.004 1.00 41.11 C ATOM 573 SG CYS A 64 15.213 -16.818 -25.466 1.00 53.14 S ATOM 0 H CYS A 64 13.047 -20.454 -26.390 1.00 14.02 H new ATOM 0 HA CYS A 64 14.935 -19.467 -24.371 1.00 12.21 H new ATOM 0 HB2 CYS A 64 14.767 -18.743 -26.837 1.00 41.11 H new ATOM 0 HB3 CYS A 64 13.285 -17.925 -26.382 1.00 41.11 H new ATOM 578 N ASP A 65 13.089 -19.199 -22.670 1.00 72.21 N ATOM 579 CA ASP A 65 12.026 -19.010 -21.693 1.00 74.32 C ATOM 580 C ASP A 65 12.098 -17.644 -21.019 1.00 34.11 C ATOM 581 O ASP A 65 11.092 -16.936 -20.948 1.00 43.34 O ATOM 582 CB ASP A 65 12.062 -20.112 -20.636 1.00 40.22 C ATOM 583 CG ASP A 65 10.982 -19.931 -19.590 1.00 41.52 C ATOM 584 OD1 ASP A 65 9.796 -20.177 -19.905 1.00 14.31 O ATOM 585 OD2 ASP A 65 11.315 -19.526 -18.455 1.00 75.44 O ATOM 0 H ASP A 65 13.943 -19.612 -22.294 1.00 72.21 H new ATOM 0 HA ASP A 65 11.083 -19.062 -22.238 1.00 74.32 H new ATOM 0 HB2 ASP A 65 11.940 -21.082 -21.119 1.00 40.22 H new ATOM 0 HB3 ASP A 65 13.038 -20.118 -20.152 1.00 40.22 H new ATOM 590 N LYS A 66 13.277 -17.277 -20.524 1.00 75.11 N ATOM 591 CA LYS A 66 13.435 -16.009 -19.812 1.00 40.35 C ATOM 592 C LYS A 66 13.010 -14.827 -20.678 1.00 51.20 C ATOM 593 O LYS A 66 12.375 -13.899 -20.183 1.00 11.30 O ATOM 594 CB LYS A 66 14.866 -15.827 -19.296 1.00 13.41 C ATOM 595 CG LYS A 66 15.943 -15.817 -20.370 1.00 35.10 C ATOM 596 CD LYS A 66 17.290 -15.446 -19.772 1.00 13.53 C ATOM 597 CE LYS A 66 17.252 -14.044 -19.182 1.00 51.33 C ATOM 598 NZ LYS A 66 18.352 -13.809 -18.215 1.00 24.42 N ATOM 0 H LYS A 66 14.130 -17.832 -20.601 1.00 75.11 H new ATOM 0 HA LYS A 66 12.774 -16.041 -18.946 1.00 40.35 H new ATOM 0 HB2 LYS A 66 14.919 -14.890 -18.741 1.00 13.41 H new ATOM 0 HB3 LYS A 66 15.086 -16.628 -18.590 1.00 13.41 H new ATOM 0 HG2 LYS A 66 16.005 -16.799 -20.840 1.00 35.10 H new ATOM 0 HG3 LYS A 66 15.678 -15.106 -21.152 1.00 35.10 H new ATOM 0 HD2 LYS A 66 17.559 -16.164 -18.997 1.00 13.53 H new ATOM 0 HD3 LYS A 66 18.061 -15.501 -20.540 1.00 13.53 H new ATOM 0 HE2 LYS A 66 17.317 -13.312 -19.987 1.00 51.33 H new ATOM 0 HE3 LYS A 66 16.295 -13.888 -18.685 1.00 51.33 H new ATOM 0 HZ1 LYS A 66 18.284 -12.841 -17.840 1.00 24.42 H new ATOM 0 HZ2 LYS A 66 18.277 -14.489 -17.432 1.00 24.42 H new ATOM 0 HZ3 LYS A 66 19.267 -13.931 -18.694 1.00 24.42 H new ATOM 612 N LYS A 67 13.336 -14.888 -21.972 1.00 42.43 N ATOM 613 CA LYS A 67 12.862 -13.923 -22.972 1.00 71.20 C ATOM 614 C LYS A 67 13.381 -12.495 -22.769 1.00 3.30 C ATOM 615 O LYS A 67 14.078 -11.964 -23.633 1.00 11.31 O ATOM 616 CB LYS A 67 11.332 -13.937 -23.038 1.00 64.23 C ATOM 617 CG LYS A 67 10.773 -15.233 -23.606 1.00 4.11 C ATOM 618 CD LYS A 67 9.257 -15.286 -23.514 1.00 45.44 C ATOM 619 CE LYS A 67 8.711 -16.596 -24.069 1.00 75.32 C ATOM 620 NZ LYS A 67 9.288 -17.779 -23.375 1.00 14.32 N ATOM 0 H LYS A 67 13.940 -15.613 -22.359 1.00 42.43 H new ATOM 0 HA LYS A 67 13.279 -14.251 -23.924 1.00 71.20 H new ATOM 0 HB2 LYS A 67 10.929 -13.782 -22.037 1.00 64.23 H new ATOM 0 HB3 LYS A 67 10.993 -13.102 -23.651 1.00 64.23 H new ATOM 0 HG2 LYS A 67 11.077 -15.333 -24.648 1.00 4.11 H new ATOM 0 HG3 LYS A 67 11.199 -16.079 -23.067 1.00 4.11 H new ATOM 0 HD2 LYS A 67 8.950 -15.174 -22.474 1.00 45.44 H new ATOM 0 HD3 LYS A 67 8.828 -14.449 -24.065 1.00 45.44 H new ATOM 0 HE2 LYS A 67 7.626 -16.609 -23.966 1.00 75.32 H new ATOM 0 HE3 LYS A 67 8.931 -16.658 -25.135 1.00 75.32 H new ATOM 0 HZ1 LYS A 67 8.655 -18.596 -23.497 1.00 14.32 H new ATOM 0 HZ2 LYS A 67 10.220 -17.999 -23.781 1.00 14.32 H new ATOM 0 HZ3 LYS A 67 9.393 -17.570 -22.362 1.00 14.32 H new ATOM 634 N TYR A 68 13.062 -11.870 -21.645 1.00 30.33 N ATOM 635 CA TYR A 68 13.331 -10.449 -21.475 1.00 3.25 C ATOM 636 C TYR A 68 14.382 -10.203 -20.404 1.00 75.14 C ATOM 637 O TYR A 68 14.549 -11.003 -19.481 1.00 45.50 O ATOM 638 CB TYR A 68 12.049 -9.704 -21.104 1.00 31.11 C ATOM 639 CG TYR A 68 10.907 -9.940 -22.064 1.00 43.12 C ATOM 640 CD1 TYR A 68 10.862 -9.297 -23.295 1.00 2.35 C ATOM 641 CD2 TYR A 68 9.872 -10.808 -21.739 1.00 3.33 C ATOM 642 CE1 TYR A 68 9.819 -9.511 -24.173 1.00 2.11 C ATOM 643 CE2 TYR A 68 8.826 -11.028 -22.612 1.00 32.44 C ATOM 644 CZ TYR A 68 8.806 -10.379 -23.826 1.00 32.52 C ATOM 645 OH TYR A 68 7.761 -10.598 -24.692 1.00 44.13 O ATOM 0 H TYR A 68 12.620 -12.320 -20.843 1.00 30.33 H new ATOM 0 HA TYR A 68 13.711 -10.075 -22.426 1.00 3.25 H new ATOM 0 HB2 TYR A 68 11.740 -10.008 -20.104 1.00 31.11 H new ATOM 0 HB3 TYR A 68 12.260 -8.636 -21.061 1.00 31.11 H new ATOM 0 HD1 TYR A 68 11.656 -8.619 -23.569 1.00 2.35 H new ATOM 0 HD2 TYR A 68 9.886 -11.319 -20.788 1.00 3.33 H new ATOM 0 HE1 TYR A 68 9.797 -9.002 -25.125 1.00 2.11 H new ATOM 0 HE2 TYR A 68 8.028 -11.705 -22.345 1.00 32.44 H new ATOM 0 HH TYR A 68 7.757 -9.902 -25.382 1.00 44.13 H new ATOM 655 N ASP A 69 15.082 -9.088 -20.541 1.00 24.32 N ATOM 656 CA ASP A 69 16.067 -8.652 -19.556 1.00 55.53 C ATOM 657 C ASP A 69 15.359 -8.167 -18.291 1.00 12.34 C ATOM 658 O ASP A 69 14.163 -7.878 -18.326 1.00 0.41 O ATOM 659 CB ASP A 69 16.919 -7.524 -20.157 1.00 74.34 C ATOM 660 CG ASP A 69 18.021 -7.038 -19.236 1.00 40.50 C ATOM 661 OD1 ASP A 69 19.142 -7.587 -19.301 1.00 12.11 O ATOM 662 OD2 ASP A 69 17.772 -6.101 -18.453 1.00 2.24 O ATOM 0 H ASP A 69 14.985 -8.458 -21.337 1.00 24.32 H new ATOM 0 HA ASP A 69 16.715 -9.488 -19.291 1.00 55.53 H new ATOM 0 HB2 ASP A 69 17.364 -7.873 -21.089 1.00 74.34 H new ATOM 0 HB3 ASP A 69 16.270 -6.685 -20.408 1.00 74.34 H new ATOM 667 N ASP A 70 16.089 -8.097 -17.180 1.00 11.15 N ATOM 668 CA ASP A 70 15.542 -7.602 -15.914 1.00 72.13 C ATOM 669 C ASP A 70 14.928 -6.214 -16.080 1.00 34.04 C ATOM 670 O ASP A 70 13.906 -5.897 -15.470 1.00 60.31 O ATOM 671 CB ASP A 70 16.628 -7.567 -14.836 1.00 41.12 C ATOM 672 CG ASP A 70 16.082 -7.195 -13.468 1.00 24.10 C ATOM 673 OD1 ASP A 70 15.237 -7.947 -12.938 1.00 0.01 O ATOM 674 OD2 ASP A 70 16.515 -6.169 -12.899 1.00 25.13 O ATOM 0 H ASP A 70 17.068 -8.379 -17.129 1.00 11.15 H new ATOM 0 HA ASP A 70 14.755 -8.289 -15.604 1.00 72.13 H new ATOM 0 HB2 ASP A 70 17.109 -8.544 -14.778 1.00 41.12 H new ATOM 0 HB3 ASP A 70 17.397 -6.850 -15.123 1.00 41.12 H new ATOM 679 N GLN A 71 15.543 -5.403 -16.933 1.00 55.34 N ATOM 680 CA GLN A 71 15.052 -4.055 -17.210 1.00 22.11 C ATOM 681 C GLN A 71 13.782 -4.095 -18.059 1.00 62.15 C ATOM 682 O GLN A 71 13.084 -3.092 -18.192 1.00 63.23 O ATOM 683 CB GLN A 71 16.130 -3.241 -17.939 1.00 71.34 C ATOM 684 CG GLN A 71 17.158 -2.581 -17.026 1.00 71.21 C ATOM 685 CD GLN A 71 17.685 -3.505 -15.947 1.00 24.23 C ATOM 686 OE1 GLN A 71 17.175 -3.516 -14.829 1.00 24.23 O ATOM 687 NE2 GLN A 71 18.674 -4.315 -16.284 1.00 22.14 N ATOM 0 H GLN A 71 16.387 -5.656 -17.448 1.00 55.34 H new ATOM 0 HA GLN A 71 14.817 -3.581 -16.257 1.00 22.11 H new ATOM 0 HB2 GLN A 71 16.652 -3.897 -18.636 1.00 71.34 H new ATOM 0 HB3 GLN A 71 15.642 -2.468 -18.533 1.00 71.34 H new ATOM 0 HG2 GLN A 71 17.993 -2.225 -17.629 1.00 71.21 H new ATOM 0 HG3 GLN A 71 16.708 -1.706 -16.557 1.00 71.21 H new ATOM 0 HE21 GLN A 71 19.070 -4.274 -17.223 1.00 22.14 H new ATOM 0 HE22 GLN A 71 19.042 -4.981 -15.605 1.00 22.14 H new ATOM 696 N GLY A 72 13.485 -5.256 -18.628 1.00 53.43 N ATOM 697 CA GLY A 72 12.332 -5.382 -19.497 1.00 10.11 C ATOM 698 C GLY A 72 12.703 -5.178 -20.949 1.00 53.10 C ATOM 699 O GLY A 72 11.838 -5.099 -21.818 1.00 44.42 O ATOM 0 H GLY A 72 14.023 -6.114 -18.503 1.00 53.43 H new ATOM 0 HA2 GLY A 72 11.886 -6.369 -19.370 1.00 10.11 H new ATOM 0 HA3 GLY A 72 11.576 -4.651 -19.208 1.00 10.11 H new ATOM 703 N ARG A 73 14.001 -5.087 -21.206 1.00 71.33 N ATOM 704 CA ARG A 73 14.507 -4.903 -22.558 1.00 62.41 C ATOM 705 C ARG A 73 14.662 -6.251 -23.252 1.00 14.24 C ATOM 706 O ARG A 73 14.684 -7.294 -22.597 1.00 31.10 O ATOM 707 CB ARG A 73 15.855 -4.173 -22.525 1.00 52.52 C ATOM 708 CG ARG A 73 15.787 -2.786 -21.903 1.00 72.22 C ATOM 709 CD ARG A 73 14.950 -1.834 -22.742 1.00 73.21 C ATOM 710 NE ARG A 73 15.536 -1.608 -24.065 1.00 2.22 N ATOM 711 CZ ARG A 73 15.061 -0.732 -24.954 1.00 5.13 C ATOM 712 NH1 ARG A 73 13.969 -0.025 -24.684 1.00 1.23 N ATOM 713 NH2 ARG A 73 15.668 -0.576 -26.125 1.00 55.34 N ATOM 0 H ARG A 73 14.726 -5.138 -20.490 1.00 71.33 H new ATOM 0 HA ARG A 73 13.792 -4.299 -23.117 1.00 62.41 H new ATOM 0 HB2 ARG A 73 16.571 -4.777 -21.967 1.00 52.52 H new ATOM 0 HB3 ARG A 73 16.236 -4.086 -23.543 1.00 52.52 H new ATOM 0 HG2 ARG A 73 15.363 -2.857 -20.901 1.00 72.22 H new ATOM 0 HG3 ARG A 73 16.795 -2.386 -21.795 1.00 72.22 H new ATOM 0 HD2 ARG A 73 13.945 -2.239 -22.855 1.00 73.21 H new ATOM 0 HD3 ARG A 73 14.853 -0.881 -22.221 1.00 73.21 H new ATOM 0 HE ARG A 73 16.358 -2.154 -24.323 1.00 2.22 H new ATOM 0 HH11 ARG A 73 13.488 -0.150 -23.793 1.00 1.23 H new ATOM 0 HH12 ARG A 73 13.612 0.642 -25.368 1.00 1.23 H new ATOM 0 HH21 ARG A 73 16.498 -1.126 -26.346 1.00 55.34 H new ATOM 0 HH22 ARG A 73 15.304 0.093 -26.803 1.00 55.34 H new ATOM 727 N GLU A 74 14.755 -6.227 -24.571 1.00 12.11 N ATOM 728 CA GLU A 74 14.976 -7.439 -25.342 1.00 62.32 C ATOM 729 C GLU A 74 16.383 -7.980 -25.103 1.00 21.14 C ATOM 730 O GLU A 74 17.359 -7.226 -25.100 1.00 13.43 O ATOM 731 CB GLU A 74 14.766 -7.169 -26.832 1.00 3.12 C ATOM 732 CG GLU A 74 13.330 -6.819 -27.190 1.00 20.31 C ATOM 733 CD GLU A 74 13.158 -6.524 -28.666 1.00 25.51 C ATOM 734 OE1 GLU A 74 13.449 -7.411 -29.491 1.00 64.31 O ATOM 735 OE2 GLU A 74 12.742 -5.397 -29.010 1.00 23.21 O ATOM 0 H GLU A 74 14.681 -5.378 -25.132 1.00 12.11 H new ATOM 0 HA GLU A 74 14.255 -8.187 -25.014 1.00 62.32 H new ATOM 0 HB2 GLU A 74 15.418 -6.352 -27.140 1.00 3.12 H new ATOM 0 HB3 GLU A 74 15.069 -8.050 -27.399 1.00 3.12 H new ATOM 0 HG2 GLU A 74 12.677 -7.645 -26.909 1.00 20.31 H new ATOM 0 HG3 GLU A 74 13.015 -5.952 -26.610 1.00 20.31 H new ATOM 742 N THR A 75 16.476 -9.284 -24.897 1.00 55.31 N ATOM 743 CA THR A 75 17.751 -9.933 -24.654 1.00 43.32 C ATOM 744 C THR A 75 18.471 -10.231 -25.963 1.00 13.23 C ATOM 745 O THR A 75 17.947 -9.968 -27.046 1.00 15.14 O ATOM 746 CB THR A 75 17.550 -11.257 -23.900 1.00 12.42 C ATOM 747 OG1 THR A 75 16.600 -12.071 -24.606 1.00 23.23 O ATOM 748 CG2 THR A 75 17.072 -11.016 -22.477 1.00 11.12 C ATOM 0 H THR A 75 15.676 -9.917 -24.894 1.00 55.31 H new ATOM 0 HA THR A 75 18.352 -9.250 -24.054 1.00 43.32 H new ATOM 0 HB THR A 75 18.509 -11.772 -23.848 1.00 12.42 H new ATOM 0 HG1 THR A 75 15.736 -12.040 -24.145 1.00 23.23 H new ATOM 0 HG21 THR A 75 16.939 -11.972 -21.971 1.00 11.12 H new ATOM 0 HG22 THR A 75 17.811 -10.421 -21.941 1.00 11.12 H new ATOM 0 HG23 THR A 75 16.122 -10.482 -22.498 1.00 11.12 H new ATOM 756 N ALA A 76 19.671 -10.783 -25.856 1.00 25.14 N ATOM 757 CA ALA A 76 20.398 -11.251 -27.025 1.00 21.32 C ATOM 758 C ALA A 76 19.610 -12.350 -27.732 1.00 20.25 C ATOM 759 O ALA A 76 19.639 -12.460 -28.958 1.00 53.42 O ATOM 760 CB ALA A 76 21.780 -11.748 -26.632 1.00 74.40 C ATOM 0 H ALA A 76 20.161 -10.917 -24.972 1.00 25.14 H new ATOM 0 HA ALA A 76 20.522 -10.416 -27.715 1.00 21.32 H new ATOM 0 HB1 ALA A 76 22.308 -12.094 -27.520 1.00 74.40 H new ATOM 0 HB2 ALA A 76 22.341 -10.936 -26.169 1.00 74.40 H new ATOM 0 HB3 ALA A 76 21.683 -12.571 -25.924 1.00 74.40 H new ATOM 766 N CYS A 77 18.878 -13.142 -26.951 1.00 22.22 N ATOM 767 CA CYS A 77 18.051 -14.206 -27.505 1.00 50.03 C ATOM 768 C CYS A 77 16.844 -13.609 -28.219 1.00 44.03 C ATOM 769 O CYS A 77 16.552 -13.959 -29.365 1.00 62.42 O ATOM 770 CB CYS A 77 17.593 -15.161 -26.396 1.00 63.24 C ATOM 771 SG CYS A 77 16.547 -16.540 -26.974 1.00 51.40 S ATOM 0 H CYS A 77 18.842 -13.065 -25.935 1.00 22.22 H new ATOM 0 HA CYS A 77 18.643 -14.771 -28.224 1.00 50.03 H new ATOM 0 HB2 CYS A 77 18.473 -15.571 -25.900 1.00 63.24 H new ATOM 0 HB3 CYS A 77 17.042 -14.592 -25.648 1.00 63.24 H new ATOM 776 N ALA A 78 16.161 -12.685 -27.543 1.00 44.51 N ATOM 777 CA ALA A 78 15.012 -11.989 -28.118 1.00 72.41 C ATOM 778 C ALA A 78 15.381 -11.244 -29.400 1.00 51.45 C ATOM 779 O ALA A 78 14.561 -11.123 -30.312 1.00 64.11 O ATOM 780 CB ALA A 78 14.416 -11.025 -27.103 1.00 22.01 C ATOM 0 H ALA A 78 16.387 -12.400 -26.590 1.00 44.51 H new ATOM 0 HA ALA A 78 14.269 -12.743 -28.377 1.00 72.41 H new ATOM 0 HB1 ALA A 78 13.561 -10.514 -27.545 1.00 22.01 H new ATOM 0 HB2 ALA A 78 14.092 -11.579 -26.222 1.00 22.01 H new ATOM 0 HB3 ALA A 78 15.168 -10.291 -26.813 1.00 22.01 H new ATOM 786 N LYS A 79 16.629 -10.792 -29.488 1.00 71.43 N ATOM 787 CA LYS A 79 17.072 -10.013 -30.634 1.00 61.45 C ATOM 788 C LYS A 79 17.307 -10.941 -31.820 1.00 13.12 C ATOM 789 O LYS A 79 17.018 -10.594 -32.965 1.00 73.32 O ATOM 790 CB LYS A 79 18.353 -9.238 -30.302 1.00 44.21 C ATOM 791 CG LYS A 79 18.864 -8.375 -31.449 1.00 33.12 C ATOM 792 CD LYS A 79 20.182 -7.701 -31.102 1.00 73.34 C ATOM 793 CE LYS A 79 20.019 -6.661 -30.004 1.00 3.53 C ATOM 794 NZ LYS A 79 21.329 -6.096 -29.584 1.00 53.32 N ATOM 0 H LYS A 79 17.347 -10.952 -28.781 1.00 71.43 H new ATOM 0 HA LYS A 79 16.297 -9.290 -30.890 1.00 61.45 H new ATOM 0 HB2 LYS A 79 18.168 -8.603 -29.436 1.00 44.21 H new ATOM 0 HB3 LYS A 79 19.131 -9.946 -30.017 1.00 44.21 H new ATOM 0 HG2 LYS A 79 18.994 -8.992 -32.338 1.00 33.12 H new ATOM 0 HG3 LYS A 79 18.120 -7.616 -31.693 1.00 33.12 H new ATOM 0 HD2 LYS A 79 20.902 -8.455 -30.783 1.00 73.34 H new ATOM 0 HD3 LYS A 79 20.592 -7.226 -31.993 1.00 73.34 H new ATOM 0 HE2 LYS A 79 19.372 -5.858 -30.357 1.00 3.53 H new ATOM 0 HE3 LYS A 79 19.525 -7.114 -29.144 1.00 3.53 H new ATOM 0 HZ1 LYS A 79 21.179 -5.391 -28.834 1.00 53.32 H new ATOM 0 HZ2 LYS A 79 21.937 -6.859 -29.224 1.00 53.32 H new ATOM 0 HZ3 LYS A 79 21.789 -5.642 -30.399 1.00 53.32 H new ATOM 808 N GLY A 80 17.811 -12.137 -31.534 1.00 12.02 N ATOM 809 CA GLY A 80 18.009 -13.134 -32.565 1.00 21.53 C ATOM 810 C GLY A 80 16.694 -13.620 -33.136 1.00 3.42 C ATOM 811 O GLY A 80 16.620 -14.018 -34.298 1.00 70.33 O ATOM 0 H GLY A 80 18.087 -12.433 -30.598 1.00 12.02 H new ATOM 0 HA2 GLY A 80 18.619 -12.714 -33.364 1.00 21.53 H new ATOM 0 HA3 GLY A 80 18.561 -13.979 -32.153 1.00 21.53 H new ATOM 815 N ILE A 81 15.653 -13.570 -32.314 1.00 1.43 N ATOM 816 CA ILE A 81 14.339 -14.046 -32.709 1.00 40.13 C ATOM 817 C ILE A 81 13.714 -13.076 -33.711 1.00 50.15 C ATOM 818 O ILE A 81 13.385 -13.456 -34.835 1.00 12.14 O ATOM 819 CB ILE A 81 13.420 -14.210 -31.473 1.00 3.43 C ATOM 820 CG1 ILE A 81 13.957 -15.320 -30.565 1.00 61.42 C ATOM 821 CG2 ILE A 81 11.986 -14.506 -31.886 1.00 21.43 C ATOM 822 CD1 ILE A 81 13.167 -15.503 -29.285 1.00 11.24 C ATOM 0 H ILE A 81 15.697 -13.201 -31.364 1.00 1.43 H new ATOM 0 HA ILE A 81 14.450 -15.022 -33.181 1.00 40.13 H new ATOM 0 HB ILE A 81 13.418 -13.269 -30.922 1.00 3.43 H new ATOM 0 HG12 ILE A 81 13.957 -16.260 -31.118 1.00 61.42 H new ATOM 0 HG13 ILE A 81 14.994 -15.099 -30.312 1.00 61.42 H new ATOM 0 HG21 ILE A 81 11.366 -14.616 -30.996 1.00 21.43 H new ATOM 0 HG22 ILE A 81 11.606 -13.685 -32.494 1.00 21.43 H new ATOM 0 HG23 ILE A 81 11.957 -15.430 -32.464 1.00 21.43 H new ATOM 0 HD11 ILE A 81 13.609 -16.307 -28.696 1.00 11.24 H new ATOM 0 HD12 ILE A 81 13.188 -14.578 -28.709 1.00 11.24 H new ATOM 0 HD13 ILE A 81 12.135 -15.756 -29.527 1.00 11.24 H new ATOM 834 N ARG A 82 13.581 -11.819 -33.297 1.00 64.13 N ATOM 835 CA ARG A 82 13.030 -10.771 -34.162 1.00 12.43 C ATOM 836 C ARG A 82 13.788 -10.658 -35.492 1.00 24.20 C ATOM 837 O ARG A 82 13.234 -10.186 -36.480 1.00 13.31 O ATOM 838 CB ARG A 82 13.016 -9.409 -33.458 1.00 62.32 C ATOM 839 CG ARG A 82 14.391 -8.892 -33.074 1.00 70.10 C ATOM 840 CD ARG A 82 14.413 -7.373 -33.005 1.00 25.00 C ATOM 841 NE ARG A 82 13.440 -6.834 -32.054 1.00 63.13 N ATOM 842 CZ ARG A 82 12.385 -6.094 -32.396 1.00 63.04 C ATOM 843 NH1 ARG A 82 12.091 -5.908 -33.680 1.00 4.33 N ATOM 844 NH2 ARG A 82 11.618 -5.554 -31.457 1.00 71.41 N ATOM 0 H ARG A 82 13.847 -11.497 -32.366 1.00 64.13 H new ATOM 0 HA ARG A 82 12.004 -11.066 -34.380 1.00 12.43 H new ATOM 0 HB2 ARG A 82 12.536 -8.680 -34.111 1.00 62.32 H new ATOM 0 HB3 ARG A 82 12.404 -9.484 -32.559 1.00 62.32 H new ATOM 0 HG2 ARG A 82 14.680 -9.306 -32.108 1.00 70.10 H new ATOM 0 HG3 ARG A 82 15.127 -9.235 -33.801 1.00 70.10 H new ATOM 0 HD2 ARG A 82 15.412 -7.041 -32.723 1.00 25.00 H new ATOM 0 HD3 ARG A 82 14.210 -6.966 -33.996 1.00 25.00 H new ATOM 0 HE ARG A 82 13.578 -7.038 -31.064 1.00 63.13 H new ATOM 0 HH11 ARG A 82 12.673 -6.332 -34.403 1.00 4.33 H new ATOM 0 HH12 ARG A 82 11.284 -5.342 -33.942 1.00 4.33 H new ATOM 0 HH21 ARG A 82 11.835 -5.705 -30.472 1.00 71.41 H new ATOM 0 HH22 ARG A 82 10.811 -4.988 -31.720 1.00 71.41 H new ATOM 858 N GLU A 83 15.052 -11.075 -35.515 1.00 2.33 N ATOM 859 CA GLU A 83 15.846 -11.022 -36.740 1.00 40.02 C ATOM 860 C GLU A 83 15.482 -12.141 -37.717 1.00 73.12 C ATOM 861 O GLU A 83 15.563 -11.953 -38.931 1.00 50.45 O ATOM 862 CB GLU A 83 17.341 -11.071 -36.421 1.00 40.54 C ATOM 863 CG GLU A 83 17.933 -9.707 -36.110 1.00 44.22 C ATOM 864 CD GLU A 83 17.758 -8.738 -37.261 1.00 22.44 C ATOM 865 OE1 GLU A 83 18.502 -8.852 -38.260 1.00 43.24 O ATOM 866 OE2 GLU A 83 16.871 -7.866 -37.184 1.00 41.53 O ATOM 0 H GLU A 83 15.546 -11.451 -34.705 1.00 2.33 H new ATOM 0 HA GLU A 83 15.614 -10.073 -37.224 1.00 40.02 H new ATOM 0 HB2 GLU A 83 17.503 -11.732 -35.570 1.00 40.54 H new ATOM 0 HB3 GLU A 83 17.872 -11.506 -37.268 1.00 40.54 H new ATOM 0 HG2 GLU A 83 17.457 -9.300 -35.218 1.00 44.22 H new ATOM 0 HG3 GLU A 83 18.994 -9.815 -35.885 1.00 44.22 H new ATOM 873 N LYS A 84 15.087 -13.299 -37.199 1.00 22.11 N ATOM 874 CA LYS A 84 14.717 -14.424 -38.056 1.00 71.51 C ATOM 875 C LYS A 84 13.269 -14.299 -38.500 1.00 41.32 C ATOM 876 O LYS A 84 12.936 -14.489 -39.667 1.00 34.05 O ATOM 877 CB LYS A 84 14.908 -15.761 -37.335 1.00 53.42 C ATOM 878 CG LYS A 84 16.347 -16.077 -36.974 1.00 63.02 C ATOM 879 CD LYS A 84 16.464 -17.482 -36.410 1.00 24.11 C ATOM 880 CE LYS A 84 17.877 -17.790 -35.949 1.00 22.23 C ATOM 881 NZ LYS A 84 18.303 -16.912 -34.828 1.00 70.03 N ATOM 0 H LYS A 84 15.014 -13.485 -36.199 1.00 22.11 H new ATOM 0 HA LYS A 84 15.372 -14.400 -38.927 1.00 71.51 H new ATOM 0 HB2 LYS A 84 14.310 -15.758 -36.424 1.00 53.42 H new ATOM 0 HB3 LYS A 84 14.521 -16.560 -37.967 1.00 53.42 H new ATOM 0 HG2 LYS A 84 16.978 -15.981 -37.858 1.00 63.02 H new ATOM 0 HG3 LYS A 84 16.710 -15.355 -36.243 1.00 63.02 H new ATOM 0 HD2 LYS A 84 15.776 -17.596 -35.572 1.00 24.11 H new ATOM 0 HD3 LYS A 84 16.164 -18.204 -37.169 1.00 24.11 H new ATOM 0 HE2 LYS A 84 17.937 -18.832 -35.635 1.00 22.23 H new ATOM 0 HE3 LYS A 84 18.565 -17.669 -36.785 1.00 22.23 H new ATOM 0 HZ1 LYS A 84 19.162 -17.301 -34.390 1.00 70.03 H new ATOM 0 HZ2 LYS A 84 18.501 -15.957 -35.190 1.00 70.03 H new ATOM 0 HZ3 LYS A 84 17.545 -16.863 -34.118 1.00 70.03 H new ATOM 895 N TYR A 85 12.413 -13.959 -37.558 1.00 74.32 N ATOM 896 CA TYR A 85 10.984 -13.858 -37.813 1.00 63.12 C ATOM 897 C TYR A 85 10.639 -12.401 -38.096 1.00 33.04 C ATOM 898 O TYR A 85 9.550 -11.911 -37.796 1.00 21.45 O ATOM 899 CB TYR A 85 10.230 -14.424 -36.609 1.00 41.40 C ATOM 900 CG TYR A 85 10.858 -15.714 -36.121 1.00 40.25 C ATOM 901 CD1 TYR A 85 10.865 -16.855 -36.916 1.00 55.41 C ATOM 902 CD2 TYR A 85 11.480 -15.777 -34.886 1.00 12.12 C ATOM 903 CE1 TYR A 85 11.475 -18.019 -36.487 1.00 14.20 C ATOM 904 CE2 TYR A 85 12.086 -16.937 -34.447 1.00 34.43 C ATOM 905 CZ TYR A 85 12.083 -18.055 -35.251 1.00 11.00 C ATOM 906 OH TYR A 85 12.701 -19.210 -34.821 1.00 30.42 O ATOM 0 H TYR A 85 12.683 -13.745 -36.598 1.00 74.32 H new ATOM 0 HA TYR A 85 10.689 -14.439 -38.687 1.00 63.12 H new ATOM 0 HB2 TYR A 85 10.227 -13.691 -35.802 1.00 41.40 H new ATOM 0 HB3 TYR A 85 9.190 -14.604 -36.881 1.00 41.40 H new ATOM 0 HD1 TYR A 85 10.386 -16.831 -37.884 1.00 55.41 H new ATOM 0 HD2 TYR A 85 11.491 -14.902 -34.254 1.00 12.12 H new ATOM 0 HE1 TYR A 85 11.475 -18.896 -37.118 1.00 14.20 H new ATOM 0 HE2 TYR A 85 12.560 -16.968 -33.477 1.00 34.43 H new ATOM 0 HH TYR A 85 13.080 -19.065 -33.929 1.00 30.42 H new ATOM 916 N LYS A 86 11.618 -11.746 -38.702 1.00 0.13 N ATOM 917 CA LYS A 86 11.582 -10.333 -39.047 1.00 42.01 C ATOM 918 C LYS A 86 10.388 -9.981 -39.939 1.00 10.30 C ATOM 919 O LYS A 86 10.027 -10.742 -40.836 1.00 41.33 O ATOM 920 CB LYS A 86 12.882 -10.008 -39.793 1.00 74.20 C ATOM 921 CG LYS A 86 13.117 -8.536 -40.082 1.00 10.12 C ATOM 922 CD LYS A 86 13.522 -7.771 -38.834 1.00 53.42 C ATOM 923 CE LYS A 86 14.523 -6.682 -39.169 1.00 2.43 C ATOM 924 NZ LYS A 86 15.853 -7.246 -39.524 1.00 32.31 N ATOM 0 H LYS A 86 12.489 -12.200 -38.976 1.00 0.13 H new ATOM 0 HA LYS A 86 11.480 -9.750 -38.131 1.00 42.01 H new ATOM 0 HB2 LYS A 86 13.721 -10.384 -39.207 1.00 74.20 H new ATOM 0 HB3 LYS A 86 12.884 -10.551 -40.738 1.00 74.20 H new ATOM 0 HG2 LYS A 86 13.895 -8.434 -40.839 1.00 10.12 H new ATOM 0 HG3 LYS A 86 12.209 -8.098 -40.497 1.00 10.12 H new ATOM 0 HD2 LYS A 86 12.640 -7.330 -38.371 1.00 53.42 H new ATOM 0 HD3 LYS A 86 13.955 -8.457 -38.106 1.00 53.42 H new ATOM 0 HE2 LYS A 86 14.147 -6.086 -40.000 1.00 2.43 H new ATOM 0 HE3 LYS A 86 14.628 -6.010 -38.317 1.00 2.43 H new ATOM 0 HZ1 LYS A 86 16.241 -6.732 -40.341 1.00 32.31 H new ATOM 0 HZ2 LYS A 86 16.499 -7.148 -38.715 1.00 32.31 H new ATOM 0 HZ3 LYS A 86 15.750 -8.252 -39.765 1.00 32.31 H new ATOM 938 N PRO A 87 9.757 -8.821 -39.694 1.00 15.34 N ATOM 939 CA PRO A 87 8.792 -8.244 -40.615 1.00 73.33 C ATOM 940 C PRO A 87 9.505 -7.412 -41.681 1.00 73.55 C ATOM 941 O PRO A 87 10.729 -7.480 -41.807 1.00 54.44 O ATOM 942 CB PRO A 87 7.917 -7.358 -39.720 1.00 1.22 C ATOM 943 CG PRO A 87 8.673 -7.157 -38.439 1.00 22.52 C ATOM 944 CD PRO A 87 9.930 -7.991 -38.497 1.00 12.01 C ATOM 0 HA PRO A 87 8.213 -8.994 -41.153 1.00 73.33 H new ATOM 0 HB2 PRO A 87 7.713 -6.402 -40.203 1.00 1.22 H new ATOM 0 HB3 PRO A 87 6.954 -7.831 -39.530 1.00 1.22 H new ATOM 0 HG2 PRO A 87 8.921 -6.104 -38.305 1.00 22.52 H new ATOM 0 HG3 PRO A 87 8.061 -7.451 -37.586 1.00 22.52 H new ATOM 0 HD2 PRO A 87 10.820 -7.366 -38.571 1.00 12.01 H new ATOM 0 HD3 PRO A 87 10.044 -8.602 -37.602 1.00 12.01 H new ATOM 952 N ALA A 88 8.766 -6.625 -42.446 1.00 52.33 N ATOM 953 CA ALA A 88 9.389 -5.797 -43.464 1.00 4.14 C ATOM 954 C ALA A 88 9.889 -4.505 -42.843 1.00 11.02 C ATOM 955 O ALA A 88 9.163 -3.518 -42.768 1.00 4.21 O ATOM 956 CB ALA A 88 8.416 -5.506 -44.596 1.00 20.12 C ATOM 0 H ALA A 88 7.751 -6.542 -42.384 1.00 52.33 H new ATOM 0 HA ALA A 88 10.237 -6.339 -43.883 1.00 4.14 H new ATOM 0 HB1 ALA A 88 8.906 -4.885 -45.346 1.00 20.12 H new ATOM 0 HB2 ALA A 88 8.098 -6.443 -45.053 1.00 20.12 H new ATOM 0 HB3 ALA A 88 7.546 -4.981 -44.202 1.00 20.12 H new ATOM 962 N VAL A 89 11.139 -4.532 -42.403 1.00 70.23 N ATOM 963 CA VAL A 89 11.790 -3.389 -41.771 1.00 72.34 C ATOM 964 C VAL A 89 13.297 -3.579 -41.804 1.00 63.55 C ATOM 965 O VAL A 89 13.788 -4.702 -41.677 1.00 63.11 O ATOM 966 CB VAL A 89 11.363 -3.184 -40.291 1.00 11.01 C ATOM 967 CG1 VAL A 89 10.069 -2.389 -40.182 1.00 51.10 C ATOM 968 CG2 VAL A 89 11.224 -4.522 -39.576 1.00 4.13 C ATOM 0 H VAL A 89 11.737 -5.355 -42.475 1.00 70.23 H new ATOM 0 HA VAL A 89 11.483 -2.509 -42.335 1.00 72.34 H new ATOM 0 HB VAL A 89 12.150 -2.607 -39.805 1.00 11.01 H new ATOM 0 HG11 VAL A 89 9.804 -2.267 -39.132 1.00 51.10 H new ATOM 0 HG12 VAL A 89 10.205 -1.408 -40.638 1.00 51.10 H new ATOM 0 HG13 VAL A 89 9.270 -2.922 -40.698 1.00 51.10 H new ATOM 0 HG21 VAL A 89 10.924 -4.352 -38.542 1.00 4.13 H new ATOM 0 HG22 VAL A 89 10.468 -5.126 -40.078 1.00 4.13 H new ATOM 0 HG23 VAL A 89 12.180 -5.046 -39.596 1.00 4.13 H new ATOM 978 N VAL A 90 14.026 -2.493 -41.978 1.00 43.04 N ATOM 979 CA VAL A 90 15.477 -2.555 -41.980 1.00 63.13 C ATOM 980 C VAL A 90 16.041 -2.263 -40.592 1.00 53.22 C ATOM 981 O VAL A 90 15.925 -1.154 -40.075 1.00 2.24 O ATOM 982 CB VAL A 90 16.101 -1.600 -43.023 1.00 20.11 C ATOM 983 CG1 VAL A 90 15.987 -2.193 -44.417 1.00 75.01 C ATOM 984 CG2 VAL A 90 15.435 -0.230 -42.985 1.00 5.04 C ATOM 0 H VAL A 90 13.640 -1.560 -42.119 1.00 43.04 H new ATOM 0 HA VAL A 90 15.747 -3.573 -42.262 1.00 63.13 H new ATOM 0 HB VAL A 90 17.154 -1.475 -42.772 1.00 20.11 H new ATOM 0 HG11 VAL A 90 16.431 -1.509 -45.141 1.00 75.01 H new ATOM 0 HG12 VAL A 90 16.512 -3.148 -44.450 1.00 75.01 H new ATOM 0 HG13 VAL A 90 14.936 -2.348 -44.662 1.00 75.01 H new ATOM 0 HG21 VAL A 90 15.896 0.419 -43.730 1.00 5.04 H new ATOM 0 HG22 VAL A 90 14.372 -0.336 -43.203 1.00 5.04 H new ATOM 0 HG23 VAL A 90 15.560 0.208 -41.995 1.00 5.04 H new ATOM 994 N TYR A 91 16.630 -3.282 -39.984 1.00 54.22 N ATOM 995 CA TYR A 91 17.252 -3.148 -38.674 1.00 24.43 C ATOM 996 C TYR A 91 18.754 -3.350 -38.784 1.00 70.34 C ATOM 997 O TYR A 91 19.220 -4.177 -39.573 1.00 42.32 O ATOM 998 CB TYR A 91 16.671 -4.160 -37.680 1.00 65.01 C ATOM 999 CG TYR A 91 15.447 -3.674 -36.939 1.00 2.34 C ATOM 1000 CD1 TYR A 91 14.230 -3.512 -37.586 1.00 41.12 C ATOM 1001 CD2 TYR A 91 15.511 -3.386 -35.582 1.00 64.22 C ATOM 1002 CE1 TYR A 91 13.114 -3.071 -36.904 1.00 32.55 C ATOM 1003 CE2 TYR A 91 14.399 -2.944 -34.892 1.00 75.21 C ATOM 1004 CZ TYR A 91 13.203 -2.789 -35.557 1.00 42.02 C ATOM 1005 OH TYR A 91 12.090 -2.350 -34.877 1.00 62.52 O ATOM 0 H TYR A 91 16.691 -4.220 -40.381 1.00 54.22 H new ATOM 0 HA TYR A 91 17.045 -2.143 -38.307 1.00 24.43 H new ATOM 0 HB2 TYR A 91 16.417 -5.074 -38.217 1.00 65.01 H new ATOM 0 HB3 TYR A 91 17.441 -4.421 -36.954 1.00 65.01 H new ATOM 0 HD1 TYR A 91 14.155 -3.735 -38.640 1.00 41.12 H new ATOM 0 HD2 TYR A 91 16.447 -3.510 -35.057 1.00 64.22 H new ATOM 0 HE1 TYR A 91 12.175 -2.947 -37.423 1.00 32.55 H new ATOM 0 HE2 TYR A 91 14.467 -2.721 -33.837 1.00 75.21 H new ATOM 0 HH TYR A 91 12.320 -2.197 -33.937 1.00 62.52 H new ATOM 1015 N GLY A 92 19.501 -2.594 -37.997 1.00 13.33 N ATOM 1016 CA GLY A 92 20.941 -2.716 -38.004 1.00 25.23 C ATOM 1017 C GLY A 92 21.444 -3.542 -36.840 1.00 72.23 C ATOM 1018 O GLY A 92 20.652 -4.039 -36.037 1.00 34.44 O ATOM 0 H GLY A 92 19.134 -1.895 -37.351 1.00 13.33 H new ATOM 0 HA2 GLY A 92 21.262 -3.174 -38.940 1.00 25.23 H new ATOM 0 HA3 GLY A 92 21.389 -1.723 -37.965 1.00 25.23 H new ATOM 1022 N TYR A 93 22.762 -3.668 -36.738 1.00 73.41 N ATOM 1023 CA TYR A 93 23.392 -4.454 -35.677 1.00 14.42 C ATOM 1024 C TYR A 93 23.114 -3.840 -34.306 1.00 24.12 C ATOM 1025 O TYR A 93 23.220 -4.503 -33.278 1.00 20.31 O ATOM 1026 CB TYR A 93 24.909 -4.541 -35.911 1.00 2.43 C ATOM 1027 CG TYR A 93 25.615 -3.202 -35.831 1.00 4.22 C ATOM 1028 CD1 TYR A 93 25.651 -2.341 -36.922 1.00 72.14 C ATOM 1029 CD2 TYR A 93 26.228 -2.792 -34.653 1.00 50.01 C ATOM 1030 CE1 TYR A 93 26.282 -1.113 -36.840 1.00 21.55 C ATOM 1031 CE2 TYR A 93 26.852 -1.566 -34.563 1.00 25.44 C ATOM 1032 CZ TYR A 93 26.877 -0.730 -35.655 1.00 53.05 C ATOM 1033 OH TYR A 93 27.489 0.500 -35.559 1.00 25.10 O ATOM 0 H TYR A 93 23.422 -3.233 -37.382 1.00 73.41 H new ATOM 0 HA TYR A 93 22.967 -5.457 -35.700 1.00 14.42 H new ATOM 0 HB2 TYR A 93 25.344 -5.216 -35.173 1.00 2.43 H new ATOM 0 HB3 TYR A 93 25.092 -4.980 -36.892 1.00 2.43 H new ATOM 0 HD1 TYR A 93 25.179 -2.636 -37.848 1.00 72.14 H new ATOM 0 HD2 TYR A 93 26.215 -3.445 -33.793 1.00 50.01 H new ATOM 0 HE1 TYR A 93 26.309 -0.458 -37.698 1.00 21.55 H new ATOM 0 HE2 TYR A 93 27.320 -1.263 -33.638 1.00 25.44 H new ATOM 0 HH TYR A 93 27.856 0.613 -34.658 1.00 25.10 H new ATOM 1043 N ASP A 94 22.750 -2.564 -34.315 1.00 15.32 N ATOM 1044 CA ASP A 94 22.485 -1.807 -33.095 1.00 20.30 C ATOM 1045 C ASP A 94 21.220 -2.293 -32.396 1.00 14.14 C ATOM 1046 O ASP A 94 20.970 -1.954 -31.239 1.00 22.12 O ATOM 1047 CB ASP A 94 22.332 -0.318 -33.428 1.00 21.03 C ATOM 1048 CG ASP A 94 23.521 0.249 -34.176 1.00 1.42 C ATOM 1049 OD1 ASP A 94 23.640 -0.013 -35.390 1.00 42.41 O ATOM 1050 OD2 ASP A 94 24.332 0.971 -33.555 1.00 5.40 O ATOM 0 H ASP A 94 22.629 -2.022 -35.171 1.00 15.32 H new ATOM 0 HA ASP A 94 23.330 -1.958 -32.423 1.00 20.30 H new ATOM 0 HB2 ASP A 94 21.432 -0.176 -34.027 1.00 21.03 H new ATOM 0 HB3 ASP A 94 22.191 0.242 -32.504 1.00 21.03 H new ATOM 1055 N GLY A 95 20.419 -3.082 -33.101 1.00 63.41 N ATOM 1056 CA GLY A 95 19.144 -3.514 -32.562 1.00 70.20 C ATOM 1057 C GLY A 95 18.081 -2.456 -32.761 1.00 15.25 C ATOM 1058 O GLY A 95 17.040 -2.467 -32.107 1.00 14.11 O ATOM 0 H GLY A 95 20.630 -3.430 -34.036 1.00 63.41 H new ATOM 0 HA2 GLY A 95 18.835 -4.440 -33.048 1.00 70.20 H new ATOM 0 HA3 GLY A 95 19.250 -3.732 -31.499 1.00 70.20 H new ATOM 1062 N LYS A 96 18.363 -1.534 -33.668 1.00 3.11 N ATOM 1063 CA LYS A 96 17.459 -0.442 -33.972 1.00 72.21 C ATOM 1064 C LYS A 96 17.176 -0.403 -35.470 1.00 32.32 C ATOM 1065 O LYS A 96 17.961 -0.925 -36.262 1.00 21.24 O ATOM 1066 CB LYS A 96 18.060 0.890 -33.506 1.00 54.03 C ATOM 1067 CG LYS A 96 18.081 1.057 -31.995 1.00 1.05 C ATOM 1068 CD LYS A 96 16.675 1.013 -31.419 1.00 63.43 C ATOM 1069 CE LYS A 96 16.660 1.327 -29.934 1.00 5.50 C ATOM 1070 NZ LYS A 96 17.237 2.666 -29.646 1.00 65.53 N ATOM 0 H LYS A 96 19.225 -1.524 -34.213 1.00 3.11 H new ATOM 0 HA LYS A 96 16.520 -0.601 -33.442 1.00 72.21 H new ATOM 0 HB2 LYS A 96 19.079 0.971 -33.886 1.00 54.03 H new ATOM 0 HB3 LYS A 96 17.490 1.709 -33.945 1.00 54.03 H new ATOM 0 HG2 LYS A 96 18.685 0.268 -31.547 1.00 1.05 H new ATOM 0 HG3 LYS A 96 18.553 2.005 -31.738 1.00 1.05 H new ATOM 0 HD2 LYS A 96 16.044 1.728 -31.947 1.00 63.43 H new ATOM 0 HD3 LYS A 96 16.246 0.025 -31.585 1.00 63.43 H new ATOM 0 HE2 LYS A 96 15.635 1.286 -29.564 1.00 5.50 H new ATOM 0 HE3 LYS A 96 17.224 0.565 -29.396 1.00 5.50 H new ATOM 0 HZ1 LYS A 96 16.928 2.982 -28.704 1.00 65.53 H new ATOM 0 HZ2 LYS A 96 18.275 2.609 -29.669 1.00 65.53 H new ATOM 0 HZ3 LYS A 96 16.912 3.346 -30.363 1.00 65.53 H new ATOM 1084 N PRO A 97 16.048 0.200 -35.880 1.00 43.31 N ATOM 1085 CA PRO A 97 15.655 0.274 -37.289 1.00 13.11 C ATOM 1086 C PRO A 97 16.322 1.430 -38.040 1.00 64.42 C ATOM 1087 O PRO A 97 15.665 2.147 -38.796 1.00 11.15 O ATOM 1088 CB PRO A 97 14.147 0.495 -37.201 1.00 13.42 C ATOM 1089 CG PRO A 97 13.947 1.263 -35.939 1.00 34.25 C ATOM 1090 CD PRO A 97 15.051 0.845 -35.000 1.00 73.15 C ATOM 0 HA PRO A 97 15.953 -0.616 -37.844 1.00 13.11 H new ATOM 0 HB2 PRO A 97 13.778 1.049 -38.064 1.00 13.42 H new ATOM 0 HB3 PRO A 97 13.609 -0.453 -37.177 1.00 13.42 H new ATOM 0 HG2 PRO A 97 13.985 2.336 -36.128 1.00 34.25 H new ATOM 0 HG3 PRO A 97 12.969 1.050 -35.507 1.00 34.25 H new ATOM 0 HD2 PRO A 97 15.476 1.702 -34.478 1.00 73.15 H new ATOM 0 HD3 PRO A 97 14.687 0.156 -34.238 1.00 73.15 H new ATOM 1098 N LEU A 98 17.625 1.600 -37.842 1.00 71.11 N ATOM 1099 CA LEU A 98 18.360 2.647 -38.540 1.00 43.04 C ATOM 1100 C LEU A 98 18.704 2.198 -39.959 1.00 14.03 C ATOM 1101 O LEU A 98 19.075 1.043 -40.190 1.00 21.43 O ATOM 1102 CB LEU A 98 19.613 3.119 -37.746 1.00 21.52 C ATOM 1103 CG LEU A 98 20.818 2.158 -37.567 1.00 61.20 C ATOM 1104 CD1 LEU A 98 20.403 0.789 -37.053 1.00 12.12 C ATOM 1105 CD2 LEU A 98 21.633 2.031 -38.848 1.00 62.03 C ATOM 0 H LEU A 98 18.189 1.032 -37.210 1.00 71.11 H new ATOM 0 HA LEU A 98 17.712 3.521 -38.614 1.00 43.04 H new ATOM 0 HB2 LEU A 98 19.985 4.021 -38.232 1.00 21.52 H new ATOM 0 HB3 LEU A 98 19.277 3.409 -36.750 1.00 21.52 H new ATOM 0 HG LEU A 98 21.453 2.608 -36.804 1.00 61.20 H new ATOM 0 HD11 LEU A 98 21.285 0.158 -36.946 1.00 12.12 H new ATOM 0 HD12 LEU A 98 19.915 0.897 -36.084 1.00 12.12 H new ATOM 0 HD13 LEU A 98 19.711 0.330 -37.759 1.00 12.12 H new ATOM 0 HD21 LEU A 98 22.468 1.350 -38.682 1.00 62.03 H new ATOM 0 HD22 LEU A 98 21.000 1.642 -39.645 1.00 62.03 H new ATOM 0 HD23 LEU A 98 22.016 3.011 -39.134 1.00 62.03 H new ATOM 1117 N ASP A 99 18.567 3.114 -40.906 1.00 44.51 N ATOM 1118 CA ASP A 99 18.749 2.807 -42.317 1.00 62.33 C ATOM 1119 C ASP A 99 20.002 3.481 -42.874 1.00 33.25 C ATOM 1120 O ASP A 99 19.950 4.605 -43.380 1.00 0.51 O ATOM 1121 CB ASP A 99 17.500 3.210 -43.126 1.00 65.23 C ATOM 1122 CG ASP A 99 17.110 4.674 -42.968 1.00 14.15 C ATOM 1123 OD1 ASP A 99 16.877 5.121 -41.823 1.00 2.30 O ATOM 1124 OD2 ASP A 99 17.007 5.383 -43.991 1.00 2.11 O ATOM 0 H ASP A 99 18.327 4.088 -40.719 1.00 44.51 H new ATOM 0 HA ASP A 99 18.885 1.730 -42.412 1.00 62.33 H new ATOM 0 HB2 ASP A 99 17.680 3.004 -44.181 1.00 65.23 H new ATOM 0 HB3 ASP A 99 16.662 2.585 -42.818 1.00 65.23 H new ATOM 1129 N LEU A 100 21.130 2.775 -42.759 1.00 73.11 N ATOM 1130 CA LEU A 100 22.433 3.270 -43.225 1.00 35.14 C ATOM 1131 C LEU A 100 23.567 2.340 -42.791 1.00 33.55 C ATOM 1132 O LEU A 100 24.628 2.320 -43.414 1.00 22.32 O ATOM 1133 CB LEU A 100 22.707 4.701 -42.717 1.00 10.21 C ATOM 1134 CG LEU A 100 22.654 4.905 -41.196 1.00 55.33 C ATOM 1135 CD1 LEU A 100 23.994 4.597 -40.546 1.00 1.01 C ATOM 1136 CD2 LEU A 100 22.225 6.324 -40.872 1.00 3.12 C ATOM 0 H LEU A 100 21.168 1.845 -42.341 1.00 73.11 H new ATOM 0 HA LEU A 100 22.395 3.290 -44.314 1.00 35.14 H new ATOM 0 HB2 LEU A 100 23.692 5.006 -43.069 1.00 10.21 H new ATOM 0 HB3 LEU A 100 21.982 5.372 -43.178 1.00 10.21 H new ATOM 0 HG LEU A 100 21.920 4.209 -40.790 1.00 55.33 H new ATOM 0 HD11 LEU A 100 23.920 4.752 -39.470 1.00 1.01 H new ATOM 0 HD12 LEU A 100 24.266 3.560 -40.746 1.00 1.01 H new ATOM 0 HD13 LEU A 100 24.758 5.258 -40.956 1.00 1.01 H new ATOM 0 HD21 LEU A 100 22.191 6.456 -39.791 1.00 3.12 H new ATOM 0 HD22 LEU A 100 22.939 7.027 -41.301 1.00 3.12 H new ATOM 0 HD23 LEU A 100 21.236 6.510 -41.291 1.00 3.12 H new ATOM 1148 N GLY A 101 23.323 1.563 -41.735 1.00 72.11 N ATOM 1149 CA GLY A 101 24.361 0.745 -41.129 1.00 31.41 C ATOM 1150 C GLY A 101 25.101 -0.145 -42.109 1.00 11.24 C ATOM 1151 O GLY A 101 26.325 -0.164 -42.123 1.00 43.34 O ATOM 0 H GLY A 101 22.411 1.487 -41.284 1.00 72.11 H new ATOM 0 HA2 GLY A 101 25.080 1.398 -40.634 1.00 31.41 H new ATOM 0 HA3 GLY A 101 23.912 0.121 -40.356 1.00 31.41 H new ATOM 1155 N PHE A 102 24.366 -0.858 -42.951 1.00 5.32 N ATOM 1156 CA PHE A 102 24.976 -1.832 -43.856 1.00 32.31 C ATOM 1157 C PHE A 102 25.439 -1.179 -45.155 1.00 1.33 C ATOM 1158 O PHE A 102 25.999 -1.837 -46.029 1.00 30.33 O ATOM 1159 CB PHE A 102 23.993 -2.963 -44.166 1.00 20.21 C ATOM 1160 CG PHE A 102 23.533 -3.706 -42.944 1.00 71.31 C ATOM 1161 CD1 PHE A 102 24.384 -4.583 -42.290 1.00 15.53 C ATOM 1162 CD2 PHE A 102 22.252 -3.525 -42.448 1.00 12.30 C ATOM 1163 CE1 PHE A 102 23.966 -5.267 -41.164 1.00 32.25 C ATOM 1164 CE2 PHE A 102 21.829 -4.205 -41.323 1.00 42.33 C ATOM 1165 CZ PHE A 102 22.686 -5.077 -40.680 1.00 53.24 C ATOM 0 H PHE A 102 23.352 -0.784 -43.029 1.00 5.32 H new ATOM 0 HA PHE A 102 25.851 -2.243 -43.352 1.00 32.31 H new ATOM 0 HB2 PHE A 102 23.125 -2.549 -44.679 1.00 20.21 H new ATOM 0 HB3 PHE A 102 24.464 -3.666 -44.853 1.00 20.21 H new ATOM 0 HD1 PHE A 102 25.386 -4.734 -42.665 1.00 15.53 H new ATOM 0 HD2 PHE A 102 21.577 -2.845 -42.946 1.00 12.30 H new ATOM 0 HE1 PHE A 102 24.638 -5.948 -40.664 1.00 32.25 H new ATOM 0 HE2 PHE A 102 20.828 -4.055 -40.946 1.00 42.33 H new ATOM 0 HZ PHE A 102 22.356 -5.609 -39.800 1.00 53.24 H new ATOM 1175 N CYS A 103 25.222 0.120 -45.274 1.00 24.10 N ATOM 1176 CA CYS A 103 25.570 0.832 -46.494 1.00 35.02 C ATOM 1177 C CYS A 103 26.711 1.817 -46.273 1.00 15.52 C ATOM 1178 O CYS A 103 27.395 2.211 -47.220 1.00 64.54 O ATOM 1179 CB CYS A 103 24.349 1.561 -47.046 1.00 74.52 C ATOM 1180 SG CYS A 103 23.167 0.476 -47.905 1.00 3.31 S ATOM 0 H CYS A 103 24.809 0.702 -44.545 1.00 24.10 H new ATOM 0 HA CYS A 103 25.909 0.092 -47.219 1.00 35.02 H new ATOM 0 HB2 CYS A 103 23.836 2.063 -46.225 1.00 74.52 H new ATOM 0 HB3 CYS A 103 24.682 2.337 -47.736 1.00 74.52 H new ATOM 1185 N THR A 104 26.935 2.195 -45.023 1.00 12.14 N ATOM 1186 CA THR A 104 27.949 3.189 -44.698 1.00 44.00 C ATOM 1187 C THR A 104 29.360 2.631 -44.901 1.00 43.34 C ATOM 1188 O THR A 104 30.341 3.378 -44.915 1.00 51.14 O ATOM 1189 CB THR A 104 27.777 3.707 -43.250 1.00 5.21 C ATOM 1190 OG1 THR A 104 28.628 4.836 -43.020 1.00 53.45 O ATOM 1191 CG2 THR A 104 28.085 2.618 -42.230 1.00 13.44 C ATOM 0 H THR A 104 26.429 1.829 -44.217 1.00 12.14 H new ATOM 0 HA THR A 104 27.814 4.028 -45.381 1.00 44.00 H new ATOM 0 HB THR A 104 26.736 4.007 -43.129 1.00 5.21 H new ATOM 0 HG1 THR A 104 29.469 4.716 -43.508 1.00 53.45 H new ATOM 0 HG21 THR A 104 27.955 3.015 -41.223 1.00 13.44 H new ATOM 0 HG22 THR A 104 27.407 1.777 -42.379 1.00 13.44 H new ATOM 0 HG23 THR A 104 29.114 2.281 -42.357 1.00 13.44 H new ATOM 1199 N LEU A 105 29.458 1.319 -45.085 1.00 32.43 N ATOM 1200 CA LEU A 105 30.750 0.680 -45.298 1.00 23.41 C ATOM 1201 C LEU A 105 31.204 0.884 -46.738 1.00 51.30 C ATOM 1202 O LEU A 105 32.399 0.957 -47.022 1.00 73.13 O ATOM 1203 CB LEU A 105 30.698 -0.827 -45.000 1.00 24.11 C ATOM 1204 CG LEU A 105 30.171 -1.247 -43.620 1.00 44.35 C ATOM 1205 CD1 LEU A 105 30.604 -0.274 -42.535 1.00 64.11 C ATOM 1206 CD2 LEU A 105 28.662 -1.404 -43.638 1.00 42.14 C ATOM 0 H LEU A 105 28.662 0.681 -45.091 1.00 32.43 H new ATOM 0 HA LEU A 105 31.457 1.144 -44.610 1.00 23.41 H new ATOM 0 HB2 LEU A 105 30.076 -1.301 -45.759 1.00 24.11 H new ATOM 0 HB3 LEU A 105 31.704 -1.230 -45.115 1.00 24.11 H new ATOM 0 HG LEU A 105 30.610 -2.217 -43.384 1.00 44.35 H new ATOM 0 HD11 LEU A 105 30.212 -0.604 -41.573 1.00 64.11 H new ATOM 0 HD12 LEU A 105 31.693 -0.239 -42.491 1.00 64.11 H new ATOM 0 HD13 LEU A 105 30.218 0.720 -42.762 1.00 64.11 H new ATOM 0 HD21 LEU A 105 28.315 -1.702 -42.648 1.00 42.14 H new ATOM 0 HD22 LEU A 105 28.201 -0.456 -43.914 1.00 42.14 H new ATOM 0 HD23 LEU A 105 28.384 -2.167 -44.365 1.00 42.14 H new ATOM 1218 N ALA A 106 30.236 0.979 -47.643 1.00 50.53 N ATOM 1219 CA ALA A 106 30.529 1.096 -49.064 1.00 21.51 C ATOM 1220 C ALA A 106 30.944 2.515 -49.428 1.00 10.24 C ATOM 1221 O ALA A 106 32.084 2.754 -49.825 1.00 1.31 O ATOM 1222 CB ALA A 106 29.325 0.667 -49.887 1.00 52.41 C ATOM 0 H ALA A 106 29.242 0.977 -47.416 1.00 50.53 H new ATOM 0 HA ALA A 106 31.366 0.435 -49.291 1.00 21.51 H new ATOM 0 HB1 ALA A 106 29.558 0.759 -50.948 1.00 52.41 H new ATOM 0 HB2 ALA A 106 29.079 -0.370 -49.659 1.00 52.41 H new ATOM 0 HB3 ALA A 106 28.474 1.304 -49.646 1.00 52.41 H new ATOM 1228 N GLY A 107 30.017 3.454 -49.282 1.00 21.01 N ATOM 1229 CA GLY A 107 30.293 4.833 -49.635 1.00 63.40 C ATOM 1230 C GLY A 107 29.356 5.344 -50.709 1.00 24.42 C ATOM 1231 O GLY A 107 28.253 5.797 -50.413 1.00 64.12 O ATOM 0 H GLY A 107 29.077 3.284 -48.925 1.00 21.01 H new ATOM 0 HA2 GLY A 107 30.202 5.459 -48.747 1.00 63.40 H new ATOM 0 HA3 GLY A 107 31.323 4.919 -49.982 1.00 63.40 H new ATOM 1235 N ILE A 108 29.782 5.256 -51.959 1.00 22.13 N ATOM 1236 CA ILE A 108 28.965 5.725 -53.074 1.00 15.10 C ATOM 1237 C ILE A 108 27.776 4.791 -53.310 1.00 20.43 C ATOM 1238 O ILE A 108 26.656 5.245 -53.539 1.00 4.41 O ATOM 1239 CB ILE A 108 29.795 5.869 -54.381 1.00 74.21 C ATOM 1240 CG1 ILE A 108 30.692 7.117 -54.337 1.00 20.23 C ATOM 1241 CG2 ILE A 108 28.892 5.925 -55.610 1.00 22.13 C ATOM 1242 CD1 ILE A 108 31.839 7.040 -53.350 1.00 64.40 C ATOM 0 H ILE A 108 30.685 4.866 -52.230 1.00 22.13 H new ATOM 0 HA ILE A 108 28.592 6.713 -52.802 1.00 15.10 H new ATOM 0 HB ILE A 108 30.429 4.985 -54.456 1.00 74.21 H new ATOM 0 HG12 ILE A 108 31.099 7.290 -55.333 1.00 20.23 H new ATOM 0 HG13 ILE A 108 30.076 7.982 -54.090 1.00 20.23 H new ATOM 0 HG21 ILE A 108 29.504 6.026 -56.507 1.00 22.13 H new ATOM 0 HG22 ILE A 108 28.305 5.009 -55.672 1.00 22.13 H new ATOM 0 HG23 ILE A 108 28.221 6.781 -55.530 1.00 22.13 H new ATOM 0 HD11 ILE A 108 32.416 7.964 -53.390 1.00 64.40 H new ATOM 0 HD12 ILE A 108 31.444 6.901 -52.344 1.00 64.40 H new ATOM 0 HD13 ILE A 108 32.483 6.199 -53.606 1.00 64.40 H new ATOM 1254 N ARG A 109 28.017 3.487 -53.220 1.00 54.21 N ATOM 1255 CA ARG A 109 26.965 2.496 -53.442 1.00 34.04 C ATOM 1256 C ARG A 109 25.936 2.481 -52.313 1.00 1.23 C ATOM 1257 O ARG A 109 24.956 1.739 -52.378 1.00 43.34 O ATOM 1258 CB ARG A 109 27.562 1.102 -53.622 1.00 51.25 C ATOM 1259 CG ARG A 109 28.315 0.936 -54.929 1.00 40.32 C ATOM 1260 CD ARG A 109 27.426 1.261 -56.119 1.00 22.54 C ATOM 1261 NE ARG A 109 28.155 1.196 -57.380 1.00 31.53 N ATOM 1262 CZ ARG A 109 27.957 2.032 -58.397 1.00 25.33 C ATOM 1263 NH1 ARG A 109 26.996 2.950 -58.337 1.00 71.02 N ATOM 1264 NH2 ARG A 109 28.707 1.940 -59.487 1.00 41.40 N ATOM 0 H ARG A 109 28.929 3.090 -52.995 1.00 54.21 H new ATOM 0 HA ARG A 109 26.448 2.786 -54.357 1.00 34.04 H new ATOM 0 HB2 ARG A 109 28.238 0.894 -52.792 1.00 51.25 H new ATOM 0 HB3 ARG A 109 26.762 0.363 -53.575 1.00 51.25 H new ATOM 0 HG2 ARG A 109 29.188 1.589 -54.935 1.00 40.32 H new ATOM 0 HG3 ARG A 109 28.681 -0.087 -55.014 1.00 40.32 H new ATOM 0 HD2 ARG A 109 26.589 0.563 -56.148 1.00 22.54 H new ATOM 0 HD3 ARG A 109 27.005 2.259 -55.995 1.00 22.54 H new ATOM 0 HE ARG A 109 28.859 0.466 -57.490 1.00 31.53 H new ATOM 0 HH11 ARG A 109 26.405 3.017 -57.508 1.00 71.02 H new ATOM 0 HH12 ARG A 109 26.850 3.587 -59.120 1.00 71.02 H new ATOM 0 HH21 ARG A 109 29.436 1.229 -59.546 1.00 41.40 H new ATOM 0 HH22 ARG A 109 28.555 2.581 -60.266 1.00 41.40 H new ATOM 1278 N GLU A 110 26.163 3.308 -51.293 1.00 0.33 N ATOM 1279 CA GLU A 110 25.213 3.476 -50.196 1.00 22.23 C ATOM 1280 C GLU A 110 23.867 3.945 -50.741 1.00 13.01 C ATOM 1281 O GLU A 110 22.808 3.579 -50.232 1.00 52.31 O ATOM 1282 CB GLU A 110 25.775 4.477 -49.173 1.00 44.43 C ATOM 1283 CG GLU A 110 24.808 4.864 -48.066 1.00 72.50 C ATOM 1284 CD GLU A 110 24.257 6.266 -48.240 1.00 30.51 C ATOM 1285 OE1 GLU A 110 24.939 7.231 -47.837 1.00 64.21 O ATOM 1286 OE2 GLU A 110 23.144 6.409 -48.783 1.00 11.34 O ATOM 0 H GLU A 110 27.005 3.877 -51.205 1.00 0.33 H new ATOM 0 HA GLU A 110 25.061 2.520 -49.694 1.00 22.23 H new ATOM 0 HB2 GLU A 110 26.671 4.050 -48.722 1.00 44.43 H new ATOM 0 HB3 GLU A 110 26.083 5.380 -49.700 1.00 44.43 H new ATOM 0 HG2 GLU A 110 23.982 4.153 -48.044 1.00 72.50 H new ATOM 0 HG3 GLU A 110 25.315 4.793 -47.104 1.00 72.50 H new ATOM 1293 N VAL A 111 23.933 4.730 -51.805 1.00 34.54 N ATOM 1294 CA VAL A 111 22.739 5.251 -52.450 1.00 13.34 C ATOM 1295 C VAL A 111 21.904 4.112 -53.036 1.00 32.44 C ATOM 1296 O VAL A 111 20.676 4.114 -52.937 1.00 65.40 O ATOM 1297 CB VAL A 111 23.096 6.255 -53.569 1.00 62.30 C ATOM 1298 CG1 VAL A 111 21.839 6.872 -54.161 1.00 15.03 C ATOM 1299 CG2 VAL A 111 24.035 7.333 -53.046 1.00 50.13 C ATOM 0 H VAL A 111 24.807 5.022 -52.242 1.00 34.54 H new ATOM 0 HA VAL A 111 22.158 5.771 -51.689 1.00 13.34 H new ATOM 0 HB VAL A 111 23.611 5.713 -54.362 1.00 62.30 H new ATOM 0 HG11 VAL A 111 22.114 7.576 -54.947 1.00 15.03 H new ATOM 0 HG12 VAL A 111 21.211 6.086 -54.581 1.00 15.03 H new ATOM 0 HG13 VAL A 111 21.289 7.397 -53.380 1.00 15.03 H new ATOM 0 HG21 VAL A 111 24.273 8.029 -53.850 1.00 50.13 H new ATOM 0 HG22 VAL A 111 23.552 7.872 -52.231 1.00 50.13 H new ATOM 0 HG23 VAL A 111 24.953 6.871 -52.682 1.00 50.13 H new ATOM 1309 N ASP A 112 22.578 3.134 -53.635 1.00 72.32 N ATOM 1310 CA ASP A 112 21.892 2.025 -54.295 1.00 64.20 C ATOM 1311 C ASP A 112 21.314 1.037 -53.289 1.00 64.45 C ATOM 1312 O ASP A 112 20.113 0.756 -53.301 1.00 24.13 O ATOM 1313 CB ASP A 112 22.857 1.275 -55.215 1.00 63.32 C ATOM 1314 CG ASP A 112 23.213 2.038 -56.472 1.00 4.01 C ATOM 1315 OD1 ASP A 112 24.091 2.921 -56.411 1.00 63.14 O ATOM 1316 OD2 ASP A 112 22.618 1.747 -57.532 1.00 70.40 O ATOM 0 H ASP A 112 23.596 3.086 -53.677 1.00 72.32 H new ATOM 0 HA ASP A 112 21.075 2.456 -54.874 1.00 64.20 H new ATOM 0 HB2 ASP A 112 23.771 1.052 -54.664 1.00 63.32 H new ATOM 0 HB3 ASP A 112 22.412 0.320 -55.494 1.00 63.32 H new ATOM 1321 N CYS A 113 22.171 0.517 -52.415 1.00 52.34 N ATOM 1322 CA CYS A 113 21.756 -0.470 -51.422 1.00 73.02 C ATOM 1323 C CYS A 113 20.649 0.052 -50.515 1.00 71.42 C ATOM 1324 O CYS A 113 19.812 -0.718 -50.060 1.00 11.22 O ATOM 1325 CB CYS A 113 22.951 -0.936 -50.589 1.00 54.03 C ATOM 1326 SG CYS A 113 23.889 0.409 -49.802 1.00 42.15 S ATOM 0 H CYS A 113 23.160 0.763 -52.374 1.00 52.34 H new ATOM 0 HA CYS A 113 21.352 -1.321 -51.970 1.00 73.02 H new ATOM 0 HB2 CYS A 113 22.596 -1.616 -49.815 1.00 54.03 H new ATOM 0 HB3 CYS A 113 23.624 -1.506 -51.229 1.00 54.03 H new ATOM 1331 N ARG A 114 20.636 1.356 -50.267 1.00 1.41 N ATOM 1332 CA ARG A 114 19.613 1.958 -49.415 1.00 32.44 C ATOM 1333 C ARG A 114 18.220 1.707 -49.988 1.00 11.55 C ATOM 1334 O ARG A 114 17.246 1.545 -49.249 1.00 14.33 O ATOM 1335 CB ARG A 114 19.854 3.461 -49.278 1.00 42.23 C ATOM 1336 CG ARG A 114 18.836 4.165 -48.396 1.00 3.02 C ATOM 1337 CD ARG A 114 19.490 4.771 -47.167 1.00 42.44 C ATOM 1338 NE ARG A 114 20.492 5.776 -47.519 1.00 14.34 N ATOM 1339 CZ ARG A 114 20.375 7.070 -47.234 1.00 64.01 C ATOM 1340 NH1 ARG A 114 19.263 7.534 -46.680 1.00 42.53 N ATOM 1341 NH2 ARG A 114 21.358 7.901 -47.537 1.00 50.44 N ATOM 0 H ARG A 114 21.318 2.016 -50.641 1.00 1.41 H new ATOM 0 HA ARG A 114 19.675 1.496 -48.430 1.00 32.44 H new ATOM 0 HB2 ARG A 114 20.851 3.624 -48.869 1.00 42.23 H new ATOM 0 HB3 ARG A 114 19.838 3.914 -50.269 1.00 42.23 H new ATOM 0 HG2 ARG A 114 18.337 4.948 -48.968 1.00 3.02 H new ATOM 0 HG3 ARG A 114 18.067 3.456 -48.088 1.00 3.02 H new ATOM 0 HD2 ARG A 114 18.726 5.226 -46.537 1.00 42.44 H new ATOM 0 HD3 ARG A 114 19.959 3.982 -46.579 1.00 42.44 H new ATOM 0 HE ARG A 114 21.330 5.467 -48.012 1.00 14.34 H new ATOM 0 HH11 ARG A 114 18.494 6.898 -46.471 1.00 42.53 H new ATOM 0 HH12 ARG A 114 19.177 8.527 -46.463 1.00 42.53 H new ATOM 0 HH21 ARG A 114 22.203 7.549 -47.988 1.00 50.44 H new ATOM 0 HH22 ARG A 114 21.272 8.894 -47.320 1.00 50.44 H new ATOM 1355 N LYS A 115 18.135 1.671 -51.309 1.00 33.42 N ATOM 1356 CA LYS A 115 16.865 1.458 -51.986 1.00 31.21 C ATOM 1357 C LYS A 115 16.449 -0.010 -51.900 1.00 5.42 C ATOM 1358 O LYS A 115 15.365 -0.342 -51.423 1.00 53.12 O ATOM 1359 CB LYS A 115 16.972 1.865 -53.457 1.00 72.33 C ATOM 1360 CG LYS A 115 17.552 3.253 -53.682 1.00 41.03 C ATOM 1361 CD LYS A 115 17.838 3.494 -55.157 1.00 12.11 C ATOM 1362 CE LYS A 115 18.585 4.801 -55.389 1.00 53.10 C ATOM 1363 NZ LYS A 115 17.763 5.996 -55.058 1.00 21.35 N ATOM 0 H LYS A 115 18.932 1.787 -51.935 1.00 33.42 H new ATOM 0 HA LYS A 115 16.112 2.073 -51.493 1.00 31.21 H new ATOM 0 HB2 LYS A 115 17.592 1.136 -53.979 1.00 72.33 H new ATOM 0 HB3 LYS A 115 15.980 1.821 -53.907 1.00 72.33 H new ATOM 0 HG2 LYS A 115 16.854 4.006 -53.316 1.00 41.03 H new ATOM 0 HG3 LYS A 115 18.471 3.364 -53.107 1.00 41.03 H new ATOM 0 HD2 LYS A 115 18.426 2.666 -55.552 1.00 12.11 H new ATOM 0 HD3 LYS A 115 16.899 3.510 -55.710 1.00 12.11 H new ATOM 0 HE2 LYS A 115 19.492 4.809 -54.784 1.00 53.10 H new ATOM 0 HE3 LYS A 115 18.897 4.857 -56.432 1.00 53.10 H new ATOM 0 HZ1 LYS A 115 18.318 6.858 -55.233 1.00 21.35 H new ATOM 0 HZ2 LYS A 115 16.910 6.006 -55.653 1.00 21.35 H new ATOM 0 HZ3 LYS A 115 17.486 5.960 -54.056 1.00 21.35 H new ATOM 1377 N ASP A 116 17.342 -0.879 -52.357 1.00 34.05 N ATOM 1378 CA ASP A 116 17.059 -2.313 -52.475 1.00 51.24 C ATOM 1379 C ASP A 116 17.057 -3.043 -51.129 1.00 43.41 C ATOM 1380 O ASP A 116 16.550 -4.160 -51.034 1.00 60.51 O ATOM 1381 CB ASP A 116 18.064 -2.973 -53.427 1.00 22.15 C ATOM 1382 CG ASP A 116 17.988 -2.413 -54.837 1.00 14.00 C ATOM 1383 OD1 ASP A 116 16.909 -2.505 -55.464 1.00 55.52 O ATOM 1384 OD2 ASP A 116 19.005 -1.881 -55.330 1.00 72.35 O ATOM 0 H ASP A 116 18.281 -0.616 -52.657 1.00 34.05 H new ATOM 0 HA ASP A 116 16.050 -2.397 -52.879 1.00 51.24 H new ATOM 0 HB2 ASP A 116 19.073 -2.833 -53.038 1.00 22.15 H new ATOM 0 HB3 ASP A 116 17.880 -4.047 -53.456 1.00 22.15 H new ATOM 1389 N ALA A 117 17.615 -2.418 -50.097 1.00 35.35 N ATOM 1390 CA ALA A 117 17.774 -3.058 -48.784 1.00 71.33 C ATOM 1391 C ALA A 117 16.472 -3.657 -48.247 1.00 1.03 C ATOM 1392 O ALA A 117 16.474 -4.758 -47.696 1.00 32.12 O ATOM 1393 CB ALA A 117 18.331 -2.063 -47.776 1.00 51.31 C ATOM 0 H ALA A 117 17.969 -1.462 -50.140 1.00 35.35 H new ATOM 0 HA ALA A 117 18.474 -3.882 -48.925 1.00 71.33 H new ATOM 0 HB1 ALA A 117 18.444 -2.551 -46.808 1.00 51.31 H new ATOM 0 HB2 ALA A 117 19.302 -1.705 -48.117 1.00 51.31 H new ATOM 0 HB3 ALA A 117 17.646 -1.220 -47.680 1.00 51.31 H new ATOM 1399 N GLN A 118 15.364 -2.940 -48.405 1.00 11.14 N ATOM 1400 CA GLN A 118 14.081 -3.394 -47.869 1.00 44.22 C ATOM 1401 C GLN A 118 13.489 -4.523 -48.709 1.00 61.43 C ATOM 1402 O GLN A 118 12.515 -5.154 -48.310 1.00 42.35 O ATOM 1403 CB GLN A 118 13.086 -2.229 -47.766 1.00 22.31 C ATOM 1404 CG GLN A 118 12.704 -1.606 -49.102 1.00 11.24 C ATOM 1405 CD GLN A 118 11.286 -1.952 -49.548 1.00 14.25 C ATOM 1406 OE1 GLN A 118 10.794 -3.126 -49.176 1.00 62.32 O flip ATOM 1407 NE2 GLN A 118 10.636 -1.163 -50.233 1.00 13.51 N flip ATOM 0 H GLN A 118 15.326 -2.047 -48.897 1.00 11.14 H new ATOM 0 HA GLN A 118 14.268 -3.782 -46.868 1.00 44.22 H new ATOM 0 HB2 GLN A 118 12.181 -2.583 -47.272 1.00 22.31 H new ATOM 0 HB3 GLN A 118 13.515 -1.456 -47.128 1.00 22.31 H new ATOM 0 HG2 GLN A 118 12.800 -0.523 -49.030 1.00 11.24 H new ATOM 0 HG3 GLN A 118 13.408 -1.939 -49.864 1.00 11.24 H new ATOM 0 HE21 GLN A 118 11.042 -0.267 -50.503 1.00 13.51 H new ATOM 0 HE22 GLN A 118 9.691 -1.405 -50.531 1.00 13.51 H new ATOM 1416 N THR A 119 14.060 -4.757 -49.879 1.00 55.21 N ATOM 1417 CA THR A 119 13.594 -5.819 -50.755 1.00 64.23 C ATOM 1418 C THR A 119 14.160 -7.167 -50.293 1.00 62.40 C ATOM 1419 O THR A 119 13.534 -8.216 -50.445 1.00 34.42 O ATOM 1420 CB THR A 119 14.007 -5.519 -52.207 1.00 50.15 C ATOM 1421 OG1 THR A 119 13.651 -4.168 -52.530 1.00 60.52 O ATOM 1422 CG2 THR A 119 13.329 -6.461 -53.186 1.00 73.52 C ATOM 0 H THR A 119 14.849 -4.224 -50.245 1.00 55.21 H new ATOM 0 HA THR A 119 12.506 -5.872 -50.710 1.00 64.23 H new ATOM 0 HB THR A 119 15.085 -5.661 -52.289 1.00 50.15 H new ATOM 0 HG1 THR A 119 13.914 -3.972 -53.454 1.00 60.52 H new ATOM 0 HG21 THR A 119 13.644 -6.219 -54.201 1.00 73.52 H new ATOM 0 HG22 THR A 119 13.608 -7.489 -52.954 1.00 73.52 H new ATOM 0 HG23 THR A 119 12.247 -6.352 -53.106 1.00 73.52 H new ATOM 1430 N CYS A 120 15.347 -7.114 -49.706 1.00 31.12 N ATOM 1431 CA CYS A 120 15.962 -8.282 -49.082 1.00 32.13 C ATOM 1432 C CYS A 120 15.445 -8.458 -47.654 1.00 44.21 C ATOM 1433 O CYS A 120 16.210 -8.801 -46.746 1.00 5.14 O ATOM 1434 CB CYS A 120 17.488 -8.125 -49.049 1.00 23.11 C ATOM 1435 SG CYS A 120 18.348 -8.478 -50.620 1.00 13.01 S ATOM 0 H CYS A 120 15.910 -6.266 -49.648 1.00 31.12 H new ATOM 0 HA CYS A 120 15.700 -9.161 -49.671 1.00 32.13 H new ATOM 0 HB2 CYS A 120 17.724 -7.105 -48.747 1.00 23.11 H new ATOM 0 HB3 CYS A 120 17.887 -8.786 -48.280 1.00 23.11 H new ATOM 1440 N ASP A 121 14.147 -8.252 -47.453 1.00 24.24 N ATOM 1441 CA ASP A 121 13.601 -8.181 -46.104 1.00 23.52 C ATOM 1442 C ASP A 121 13.380 -9.562 -45.482 1.00 60.33 C ATOM 1443 O ASP A 121 13.948 -9.850 -44.426 1.00 60.12 O ATOM 1444 CB ASP A 121 12.301 -7.354 -46.078 1.00 72.21 C ATOM 1445 CG ASP A 121 11.184 -7.903 -46.954 1.00 3.23 C ATOM 1446 OD1 ASP A 121 11.457 -8.720 -47.860 1.00 12.42 O ATOM 1447 OD2 ASP A 121 10.015 -7.530 -46.723 1.00 2.13 O ATOM 0 H ASP A 121 13.461 -8.133 -48.198 1.00 24.24 H new ATOM 0 HA ASP A 121 14.348 -7.676 -45.492 1.00 23.52 H new ATOM 0 HB2 ASP A 121 11.943 -7.296 -45.050 1.00 72.21 H new ATOM 0 HB3 ASP A 121 12.527 -6.336 -46.395 1.00 72.21 H new ATOM 1452 N LYS A 122 12.574 -10.425 -46.100 1.00 13.20 N ATOM 1453 CA LYS A 122 12.404 -11.770 -45.555 1.00 11.23 C ATOM 1454 C LYS A 122 12.670 -12.876 -46.564 1.00 33.21 C ATOM 1455 O LYS A 122 13.665 -13.593 -46.473 1.00 3.54 O ATOM 1456 CB LYS A 122 10.998 -11.991 -44.975 1.00 21.14 C ATOM 1457 CG LYS A 122 10.613 -11.046 -43.845 1.00 22.43 C ATOM 1458 CD LYS A 122 9.977 -9.764 -44.357 1.00 62.23 C ATOM 1459 CE LYS A 122 8.706 -10.045 -45.141 1.00 0.22 C ATOM 1460 NZ LYS A 122 8.036 -8.796 -45.586 1.00 32.32 N ATOM 0 H LYS A 122 12.045 -10.227 -46.949 1.00 13.20 H new ATOM 0 HA LYS A 122 13.152 -11.829 -44.764 1.00 11.23 H new ATOM 0 HB2 LYS A 122 10.269 -11.888 -45.779 1.00 21.14 H new ATOM 0 HB3 LYS A 122 10.928 -13.016 -44.611 1.00 21.14 H new ATOM 0 HG2 LYS A 122 9.919 -11.550 -43.173 1.00 22.43 H new ATOM 0 HG3 LYS A 122 11.500 -10.801 -43.261 1.00 22.43 H new ATOM 0 HD2 LYS A 122 9.749 -9.109 -43.516 1.00 62.23 H new ATOM 0 HD3 LYS A 122 10.687 -9.233 -44.991 1.00 62.23 H new ATOM 0 HE2 LYS A 122 8.945 -10.657 -46.011 1.00 0.22 H new ATOM 0 HE3 LYS A 122 8.020 -10.624 -44.523 1.00 0.22 H new ATOM 0 HZ1 LYS A 122 7.356 -9.017 -46.341 1.00 32.32 H new ATOM 0 HZ2 LYS A 122 7.534 -8.366 -44.783 1.00 32.32 H new ATOM 0 HZ3 LYS A 122 8.748 -8.129 -45.946 1.00 32.32 H new ATOM 1474 N LYS A 123 11.789 -12.993 -47.544 1.00 22.32 N ATOM 1475 CA LYS A 123 11.625 -14.262 -48.231 1.00 63.33 C ATOM 1476 C LYS A 123 11.616 -14.141 -49.753 1.00 14.12 C ATOM 1477 O LYS A 123 12.553 -14.564 -50.433 1.00 61.55 O ATOM 1478 CB LYS A 123 10.317 -14.869 -47.743 1.00 63.41 C ATOM 1479 CG LYS A 123 10.210 -16.370 -47.894 1.00 11.53 C ATOM 1480 CD LYS A 123 8.958 -16.872 -47.203 1.00 1.35 C ATOM 1481 CE LYS A 123 7.700 -16.455 -47.951 1.00 53.44 C ATOM 1482 NZ LYS A 123 6.468 -16.942 -47.281 1.00 13.13 N ATOM 0 H LYS A 123 11.187 -12.240 -47.877 1.00 22.32 H new ATOM 0 HA LYS A 123 12.482 -14.894 -47.999 1.00 63.33 H new ATOM 0 HB2 LYS A 123 10.187 -14.615 -46.691 1.00 63.41 H new ATOM 0 HB3 LYS A 123 9.494 -14.405 -48.287 1.00 63.41 H new ATOM 0 HG2 LYS A 123 10.184 -16.637 -48.951 1.00 11.53 H new ATOM 0 HG3 LYS A 123 11.089 -16.851 -47.465 1.00 11.53 H new ATOM 0 HD2 LYS A 123 8.994 -17.959 -47.128 1.00 1.35 H new ATOM 0 HD3 LYS A 123 8.923 -16.483 -46.185 1.00 1.35 H new ATOM 0 HE2 LYS A 123 7.666 -15.368 -48.026 1.00 53.44 H new ATOM 0 HE3 LYS A 123 7.737 -16.844 -48.969 1.00 53.44 H new ATOM 0 HZ1 LYS A 123 5.634 -16.636 -47.823 1.00 13.13 H new ATOM 0 HZ2 LYS A 123 6.487 -17.981 -47.232 1.00 13.13 H new ATOM 0 HZ3 LYS A 123 6.418 -16.551 -46.319 1.00 13.13 H new ATOM 1496 N TYR A 124 10.547 -13.546 -50.266 1.00 32.25 N ATOM 1497 CA TYR A 124 10.223 -13.596 -51.688 1.00 70.55 C ATOM 1498 C TYR A 124 11.241 -12.851 -52.544 1.00 74.42 C ATOM 1499 O TYR A 124 11.902 -13.445 -53.398 1.00 65.40 O ATOM 1500 CB TYR A 124 8.810 -13.034 -51.895 1.00 22.43 C ATOM 1501 CG TYR A 124 8.395 -12.850 -53.340 1.00 20.14 C ATOM 1502 CD1 TYR A 124 8.602 -13.845 -54.291 1.00 32.23 C ATOM 1503 CD2 TYR A 124 7.796 -11.667 -53.749 1.00 70.41 C ATOM 1504 CE1 TYR A 124 8.217 -13.661 -55.606 1.00 64.43 C ATOM 1505 CE2 TYR A 124 7.409 -11.478 -55.059 1.00 3.45 C ATOM 1506 CZ TYR A 124 7.623 -12.475 -55.984 1.00 42.12 C ATOM 1507 OH TYR A 124 7.243 -12.281 -57.293 1.00 34.31 O ATOM 0 H TYR A 124 9.879 -13.014 -49.708 1.00 32.25 H new ATOM 0 HA TYR A 124 10.259 -14.636 -52.013 1.00 70.55 H new ATOM 0 HB2 TYR A 124 8.096 -13.701 -51.411 1.00 22.43 H new ATOM 0 HB3 TYR A 124 8.741 -12.071 -51.388 1.00 22.43 H new ATOM 0 HD1 TYR A 124 9.070 -14.773 -53.998 1.00 32.23 H new ATOM 0 HD2 TYR A 124 7.630 -10.880 -53.028 1.00 70.41 H new ATOM 0 HE1 TYR A 124 8.381 -14.442 -56.334 1.00 64.43 H new ATOM 0 HE2 TYR A 124 6.940 -10.552 -55.358 1.00 3.45 H new ATOM 0 HH TYR A 124 6.840 -11.393 -57.388 1.00 34.31 H new ATOM 1517 N GLU A 125 11.390 -11.567 -52.293 1.00 53.23 N ATOM 1518 CA GLU A 125 12.205 -10.722 -53.148 1.00 71.14 C ATOM 1519 C GLU A 125 13.665 -10.726 -52.718 1.00 62.12 C ATOM 1520 O GLU A 125 14.494 -10.053 -53.325 1.00 13.32 O ATOM 1521 CB GLU A 125 11.654 -9.297 -53.150 1.00 30.23 C ATOM 1522 CG GLU A 125 10.308 -9.172 -53.840 1.00 43.04 C ATOM 1523 CD GLU A 125 10.389 -9.452 -55.327 1.00 53.53 C ATOM 1524 OE1 GLU A 125 10.540 -10.627 -55.712 1.00 12.02 O ATOM 1525 OE2 GLU A 125 10.288 -8.492 -56.121 1.00 22.10 O ATOM 0 H GLU A 125 10.959 -11.084 -51.505 1.00 53.23 H new ATOM 0 HA GLU A 125 12.161 -11.127 -54.159 1.00 71.14 H new ATOM 0 HB2 GLU A 125 11.560 -8.950 -52.121 1.00 30.23 H new ATOM 0 HB3 GLU A 125 12.369 -8.639 -53.644 1.00 30.23 H new ATOM 0 HG2 GLU A 125 9.603 -9.865 -53.381 1.00 43.04 H new ATOM 0 HG3 GLU A 125 9.915 -8.167 -53.684 1.00 43.04 H new ATOM 1532 N SER A 126 13.977 -11.499 -51.686 1.00 1.44 N ATOM 1533 CA SER A 126 15.334 -11.563 -51.157 1.00 75.44 C ATOM 1534 C SER A 126 16.331 -12.028 -52.220 1.00 75.31 C ATOM 1535 O SER A 126 17.410 -11.455 -52.361 1.00 21.41 O ATOM 1536 CB SER A 126 15.371 -12.498 -49.951 1.00 44.13 C ATOM 1537 OG SER A 126 14.402 -12.112 -48.994 1.00 63.20 O ATOM 0 H SER A 126 13.307 -12.092 -51.197 1.00 1.44 H new ATOM 0 HA SER A 126 15.627 -10.559 -50.849 1.00 75.44 H new ATOM 0 HB2 SER A 126 15.185 -13.523 -50.272 1.00 44.13 H new ATOM 0 HB3 SER A 126 16.363 -12.480 -49.500 1.00 44.13 H new ATOM 0 HG SER A 126 14.776 -12.206 -48.093 1.00 63.20 H new ATOM 1543 N ASP A 127 15.960 -13.054 -52.979 1.00 3.31 N ATOM 1544 CA ASP A 127 16.834 -13.598 -54.019 1.00 42.45 C ATOM 1545 C ASP A 127 17.065 -12.580 -55.132 1.00 22.10 C ATOM 1546 O ASP A 127 18.194 -12.378 -55.589 1.00 54.33 O ATOM 1547 CB ASP A 127 16.232 -14.883 -54.601 1.00 33.14 C ATOM 1548 CG ASP A 127 17.040 -15.437 -55.760 1.00 73.05 C ATOM 1549 OD1 ASP A 127 18.027 -16.162 -55.511 1.00 41.32 O ATOM 1550 OD2 ASP A 127 16.682 -15.164 -56.925 1.00 1.34 O ATOM 0 H ASP A 127 15.060 -13.527 -52.895 1.00 3.31 H new ATOM 0 HA ASP A 127 17.796 -13.829 -53.562 1.00 42.45 H new ATOM 0 HB2 ASP A 127 16.167 -15.637 -53.816 1.00 33.14 H new ATOM 0 HB3 ASP A 127 15.214 -14.683 -54.936 1.00 33.14 H new ATOM 1555 N LYS A 128 15.996 -11.923 -55.553 1.00 61.41 N ATOM 1556 CA LYS A 128 16.073 -10.980 -56.660 1.00 4.45 C ATOM 1557 C LYS A 128 16.762 -9.692 -56.227 1.00 64.53 C ATOM 1558 O LYS A 128 17.457 -9.054 -57.014 1.00 44.24 O ATOM 1559 CB LYS A 128 14.676 -10.686 -57.213 1.00 63.21 C ATOM 1560 CG LYS A 128 13.880 -11.944 -57.525 1.00 53.21 C ATOM 1561 CD LYS A 128 14.684 -12.916 -58.372 1.00 33.20 C ATOM 1562 CE LYS A 128 13.988 -14.261 -58.489 1.00 42.13 C ATOM 1563 NZ LYS A 128 14.910 -15.322 -58.976 1.00 51.12 N ATOM 0 H LYS A 128 15.066 -12.024 -55.147 1.00 61.41 H new ATOM 0 HA LYS A 128 16.669 -11.432 -57.453 1.00 4.45 H new ATOM 0 HB2 LYS A 128 14.125 -10.085 -56.490 1.00 63.21 H new ATOM 0 HB3 LYS A 128 14.769 -10.088 -58.120 1.00 63.21 H new ATOM 0 HG2 LYS A 128 13.584 -12.429 -56.595 1.00 53.21 H new ATOM 0 HG3 LYS A 128 12.963 -11.675 -58.049 1.00 53.21 H new ATOM 0 HD2 LYS A 128 14.834 -12.495 -59.366 1.00 33.20 H new ATOM 0 HD3 LYS A 128 15.671 -13.053 -57.931 1.00 33.20 H new ATOM 0 HE2 LYS A 128 13.586 -14.547 -57.517 1.00 42.13 H new ATOM 0 HE3 LYS A 128 13.142 -14.174 -59.171 1.00 42.13 H new ATOM 0 HZ1 LYS A 128 14.363 -16.172 -59.220 1.00 51.12 H new ATOM 0 HZ2 LYS A 128 15.416 -14.982 -59.819 1.00 51.12 H new ATOM 0 HZ3 LYS A 128 15.597 -15.554 -58.230 1.00 51.12 H new ATOM 1577 N CYS A 129 16.592 -9.334 -54.963 1.00 33.54 N ATOM 1578 CA CYS A 129 17.251 -8.169 -54.400 1.00 54.12 C ATOM 1579 C CYS A 129 18.750 -8.421 -54.289 1.00 62.33 C ATOM 1580 O CYS A 129 19.559 -7.540 -54.568 1.00 23.22 O ATOM 1581 CB CYS A 129 16.642 -7.852 -53.030 1.00 0.45 C ATOM 1582 SG CYS A 129 17.751 -6.994 -51.869 1.00 42.45 S ATOM 0 H CYS A 129 15.998 -9.839 -54.305 1.00 33.54 H new ATOM 0 HA CYS A 129 17.102 -7.310 -55.054 1.00 54.12 H new ATOM 0 HB2 CYS A 129 15.753 -7.239 -53.178 1.00 0.45 H new ATOM 0 HB3 CYS A 129 16.313 -8.785 -52.572 1.00 0.45 H new ATOM 1587 N LEU A 130 19.110 -9.648 -53.916 1.00 22.44 N ATOM 1588 CA LEU A 130 20.508 -10.049 -53.820 1.00 62.43 C ATOM 1589 C LEU A 130 21.185 -9.909 -55.181 1.00 22.54 C ATOM 1590 O LEU A 130 22.320 -9.439 -55.282 1.00 11.23 O ATOM 1591 CB LEU A 130 20.592 -11.495 -53.299 1.00 45.45 C ATOM 1592 CG LEU A 130 22.000 -12.077 -53.117 1.00 63.34 C ATOM 1593 CD1 LEU A 130 22.007 -13.076 -51.968 1.00 72.23 C ATOM 1594 CD2 LEU A 130 22.475 -12.755 -54.396 1.00 33.33 C ATOM 0 H LEU A 130 18.446 -10.384 -53.674 1.00 22.44 H new ATOM 0 HA LEU A 130 21.031 -9.400 -53.118 1.00 62.43 H new ATOM 0 HB2 LEU A 130 20.077 -11.542 -52.340 1.00 45.45 H new ATOM 0 HB3 LEU A 130 20.044 -12.138 -53.987 1.00 45.45 H new ATOM 0 HG LEU A 130 22.682 -11.258 -52.886 1.00 63.34 H new ATOM 0 HD11 LEU A 130 23.011 -13.484 -51.846 1.00 72.23 H new ATOM 0 HD12 LEU A 130 21.705 -12.575 -51.048 1.00 72.23 H new ATOM 0 HD13 LEU A 130 21.310 -13.886 -52.186 1.00 72.23 H new ATOM 0 HD21 LEU A 130 23.475 -13.160 -54.243 1.00 33.33 H new ATOM 0 HD22 LEU A 130 21.792 -13.564 -54.654 1.00 33.33 H new ATOM 0 HD23 LEU A 130 22.498 -12.027 -55.207 1.00 33.33 H new ATOM 1606 N ASN A 131 20.463 -10.304 -56.223 1.00 64.22 N ATOM 1607 CA ASN A 131 20.933 -10.165 -57.601 1.00 2.02 C ATOM 1608 C ASN A 131 21.215 -8.709 -57.952 1.00 51.15 C ATOM 1609 O ASN A 131 22.124 -8.412 -58.729 1.00 4.23 O ATOM 1610 CB ASN A 131 19.893 -10.728 -58.574 1.00 21.54 C ATOM 1611 CG ASN A 131 20.074 -12.207 -58.850 1.00 43.14 C ATOM 1612 OD1 ASN A 131 20.759 -12.588 -59.800 1.00 30.54 O ATOM 1613 ND2 ASN A 131 19.465 -13.051 -58.033 1.00 53.30 N ATOM 0 H ASN A 131 19.539 -10.728 -56.140 1.00 64.22 H new ATOM 0 HA ASN A 131 21.863 -10.727 -57.688 1.00 2.02 H new ATOM 0 HB2 ASN A 131 18.896 -10.560 -58.167 1.00 21.54 H new ATOM 0 HB3 ASN A 131 19.950 -10.180 -59.514 1.00 21.54 H new ATOM 0 HD21 ASN A 131 19.554 -14.057 -58.179 1.00 53.30 H new ATOM 0 HD22 ASN A 131 18.906 -12.696 -57.257 1.00 53.30 H new ATOM 1620 N ALA A 132 20.452 -7.809 -57.350 1.00 65.42 N ATOM 1621 CA ALA A 132 20.554 -6.389 -57.648 1.00 70.02 C ATOM 1622 C ALA A 132 21.764 -5.785 -56.949 1.00 35.24 C ATOM 1623 O ALA A 132 22.333 -4.794 -57.403 1.00 33.11 O ATOM 1624 CB ALA A 132 19.281 -5.669 -57.234 1.00 72.01 C ATOM 0 H ALA A 132 19.750 -8.040 -56.647 1.00 65.42 H new ATOM 0 HA ALA A 132 20.684 -6.267 -58.723 1.00 70.02 H new ATOM 0 HB1 ALA A 132 19.372 -4.607 -57.463 1.00 72.01 H new ATOM 0 HB2 ALA A 132 18.434 -6.086 -57.778 1.00 72.01 H new ATOM 0 HB3 ALA A 132 19.123 -5.797 -56.163 1.00 72.01 H new ATOM 1630 N ILE A 133 22.162 -6.412 -55.849 1.00 14.41 N ATOM 1631 CA ILE A 133 23.236 -5.898 -55.011 1.00 52.32 C ATOM 1632 C ILE A 133 24.593 -6.307 -55.573 1.00 61.11 C ATOM 1633 O ILE A 133 25.591 -5.606 -55.397 1.00 63.00 O ATOM 1634 CB ILE A 133 23.103 -6.391 -53.549 1.00 0.43 C ATOM 1635 CG1 ILE A 133 21.756 -5.961 -52.960 1.00 10.12 C ATOM 1636 CG2 ILE A 133 24.247 -5.866 -52.690 1.00 71.11 C ATOM 1637 CD1 ILE A 133 21.541 -4.462 -52.947 1.00 35.33 C ATOM 0 H ILE A 133 21.753 -7.285 -55.515 1.00 14.41 H new ATOM 0 HA ILE A 133 23.159 -4.811 -55.011 1.00 52.32 H new ATOM 0 HB ILE A 133 23.152 -7.480 -53.554 1.00 0.43 H new ATOM 0 HG12 ILE A 133 20.955 -6.428 -53.533 1.00 10.12 H new ATOM 0 HG13 ILE A 133 21.680 -6.338 -51.940 1.00 10.12 H new ATOM 0 HG21 ILE A 133 24.130 -6.227 -51.668 1.00 71.11 H new ATOM 0 HG22 ILE A 133 25.196 -6.219 -53.093 1.00 71.11 H new ATOM 0 HG23 ILE A 133 24.234 -4.776 -52.694 1.00 71.11 H new ATOM 0 HD11 ILE A 133 20.565 -4.238 -52.515 1.00 35.33 H new ATOM 0 HD12 ILE A 133 22.320 -3.988 -52.349 1.00 35.33 H new ATOM 0 HD13 ILE A 133 21.583 -4.080 -53.967 1.00 35.33 H new ATOM 1649 N LYS A 134 24.623 -7.423 -56.290 1.00 63.14 N ATOM 1650 CA LYS A 134 25.877 -7.972 -56.779 1.00 75.40 C ATOM 1651 C LYS A 134 26.452 -7.089 -57.876 1.00 54.14 C ATOM 1652 O LYS A 134 27.660 -6.864 -57.937 1.00 63.53 O ATOM 1653 CB LYS A 134 25.664 -9.391 -57.308 1.00 42.04 C ATOM 1654 CG LYS A 134 25.199 -10.364 -56.242 1.00 24.24 C ATOM 1655 CD LYS A 134 24.867 -11.727 -56.823 1.00 62.43 C ATOM 1656 CE LYS A 134 26.077 -12.379 -57.469 1.00 4.41 C ATOM 1657 NZ LYS A 134 25.770 -13.757 -57.931 1.00 65.12 N ATOM 0 H LYS A 134 23.796 -7.963 -56.544 1.00 63.14 H new ATOM 0 HA LYS A 134 26.584 -8.006 -55.950 1.00 75.40 H new ATOM 0 HB2 LYS A 134 24.929 -9.365 -58.112 1.00 42.04 H new ATOM 0 HB3 LYS A 134 26.596 -9.754 -57.740 1.00 42.04 H new ATOM 0 HG2 LYS A 134 25.976 -10.472 -55.485 1.00 24.24 H new ATOM 0 HG3 LYS A 134 24.320 -9.960 -55.740 1.00 24.24 H new ATOM 0 HD2 LYS A 134 24.484 -12.374 -56.034 1.00 62.43 H new ATOM 0 HD3 LYS A 134 24.073 -11.622 -57.563 1.00 62.43 H new ATOM 0 HE2 LYS A 134 26.409 -11.776 -58.314 1.00 4.41 H new ATOM 0 HE3 LYS A 134 26.900 -12.408 -56.755 1.00 4.41 H new ATOM 0 HZ1 LYS A 134 26.617 -14.174 -58.367 1.00 65.12 H new ATOM 0 HZ2 LYS A 134 25.477 -14.338 -57.120 1.00 65.12 H new ATOM 0 HZ3 LYS A 134 25.001 -13.725 -58.630 1.00 65.12 H new ATOM 1671 N GLU A 135 25.575 -6.556 -58.720 1.00 31.53 N ATOM 1672 CA GLU A 135 26.009 -5.736 -59.841 1.00 53.23 C ATOM 1673 C GLU A 135 26.427 -4.345 -59.376 1.00 72.10 C ATOM 1674 O GLU A 135 27.021 -3.584 -60.136 1.00 45.24 O ATOM 1675 CB GLU A 135 24.907 -5.627 -60.899 1.00 23.43 C ATOM 1676 CG GLU A 135 23.623 -4.994 -60.390 1.00 72.24 C ATOM 1677 CD GLU A 135 22.669 -4.651 -61.513 1.00 31.54 C ATOM 1678 OE1 GLU A 135 22.032 -5.572 -62.062 1.00 44.22 O ATOM 1679 OE2 GLU A 135 22.562 -3.455 -61.859 1.00 51.22 O ATOM 0 H GLU A 135 24.565 -6.677 -58.648 1.00 31.53 H new ATOM 0 HA GLU A 135 26.875 -6.225 -60.288 1.00 53.23 H new ATOM 0 HB2 GLU A 135 25.281 -5.042 -61.739 1.00 23.43 H new ATOM 0 HB3 GLU A 135 24.683 -6.624 -61.280 1.00 23.43 H new ATOM 0 HG2 GLU A 135 23.134 -5.677 -59.696 1.00 72.24 H new ATOM 0 HG3 GLU A 135 23.863 -4.090 -59.831 1.00 72.24 H new ATOM 1686 N LYS A 136 26.124 -4.016 -58.125 1.00 63.04 N ATOM 1687 CA LYS A 136 26.505 -2.726 -57.568 1.00 70.32 C ATOM 1688 C LYS A 136 28.019 -2.669 -57.395 1.00 21.24 C ATOM 1689 O LYS A 136 28.627 -1.603 -57.467 1.00 11.15 O ATOM 1690 CB LYS A 136 25.828 -2.496 -56.212 1.00 72.41 C ATOM 1691 CG LYS A 136 24.325 -2.757 -56.191 1.00 15.43 C ATOM 1692 CD LYS A 136 23.505 -1.616 -56.781 1.00 75.45 C ATOM 1693 CE LYS A 136 23.558 -1.575 -58.301 1.00 3.34 C ATOM 1694 NZ LYS A 136 22.560 -0.623 -58.858 1.00 43.25 N ATOM 0 H LYS A 136 25.618 -4.623 -57.481 1.00 63.04 H new ATOM 0 HA LYS A 136 26.181 -1.945 -58.256 1.00 70.32 H new ATOM 0 HB2 LYS A 136 26.304 -3.139 -55.471 1.00 72.41 H new ATOM 0 HB3 LYS A 136 26.007 -1.466 -55.903 1.00 72.41 H new ATOM 0 HG2 LYS A 136 24.115 -3.671 -56.746 1.00 15.43 H new ATOM 0 HG3 LYS A 136 24.008 -2.929 -55.162 1.00 15.43 H new ATOM 0 HD2 LYS A 136 22.468 -1.717 -56.461 1.00 75.45 H new ATOM 0 HD3 LYS A 136 23.870 -0.669 -56.384 1.00 75.45 H new ATOM 0 HE2 LYS A 136 24.558 -1.285 -58.623 1.00 3.34 H new ATOM 0 HE3 LYS A 136 23.372 -2.572 -58.699 1.00 3.34 H new ATOM 0 HZ1 LYS A 136 22.624 -0.621 -59.896 1.00 43.25 H new ATOM 0 HZ2 LYS A 136 21.604 -0.915 -58.571 1.00 43.25 H new ATOM 0 HZ3 LYS A 136 22.753 0.333 -58.497 1.00 43.25 H new ATOM 1708 N TYR A 137 28.619 -3.831 -57.167 1.00 60.15 N ATOM 1709 CA TYR A 137 30.058 -3.928 -56.963 1.00 63.44 C ATOM 1710 C TYR A 137 30.701 -4.728 -58.090 1.00 40.01 C ATOM 1711 O TYR A 137 31.799 -5.265 -57.931 1.00 14.24 O ATOM 1712 CB TYR A 137 30.354 -4.594 -55.616 1.00 70.04 C ATOM 1713 CG TYR A 137 29.657 -3.936 -54.446 1.00 0.20 C ATOM 1714 CD1 TYR A 137 30.179 -2.795 -53.852 1.00 24.01 C ATOM 1715 CD2 TYR A 137 28.470 -4.454 -53.941 1.00 64.12 C ATOM 1716 CE1 TYR A 137 29.539 -2.189 -52.789 1.00 41.22 C ATOM 1717 CE2 TYR A 137 27.825 -3.854 -52.876 1.00 75.24 C ATOM 1718 CZ TYR A 137 28.364 -2.722 -52.305 1.00 1.13 C ATOM 1719 OH TYR A 137 27.724 -2.116 -51.251 1.00 75.02 O ATOM 0 H TYR A 137 28.128 -4.723 -57.119 1.00 60.15 H new ATOM 0 HA TYR A 137 30.478 -2.922 -56.963 1.00 63.44 H new ATOM 0 HB2 TYR A 137 30.054 -5.641 -55.664 1.00 70.04 H new ATOM 0 HB3 TYR A 137 31.430 -4.579 -55.442 1.00 70.04 H new ATOM 0 HD1 TYR A 137 31.100 -2.375 -54.227 1.00 24.01 H new ATOM 0 HD2 TYR A 137 28.045 -5.340 -54.388 1.00 64.12 H new ATOM 0 HE1 TYR A 137 29.958 -1.301 -52.339 1.00 41.22 H new ATOM 0 HE2 TYR A 137 26.904 -4.270 -52.494 1.00 75.24 H new ATOM 0 HH TYR A 137 26.910 -2.615 -51.032 1.00 75.02 H new ATOM 1729 N LYS A 138 30.007 -4.800 -59.223 1.00 23.31 N ATOM 1730 CA LYS A 138 30.480 -5.560 -60.377 1.00 71.10 C ATOM 1731 C LYS A 138 31.845 -5.060 -60.850 1.00 61.12 C ATOM 1732 O LYS A 138 32.021 -3.869 -61.124 1.00 62.12 O ATOM 1733 CB LYS A 138 29.459 -5.480 -61.518 1.00 73.13 C ATOM 1734 CG LYS A 138 29.935 -6.128 -62.812 1.00 75.54 C ATOM 1735 CD LYS A 138 28.853 -6.128 -63.879 1.00 21.54 C ATOM 1736 CE LYS A 138 27.719 -7.079 -63.529 1.00 72.45 C ATOM 1737 NZ LYS A 138 28.185 -8.488 -63.420 1.00 15.35 N ATOM 0 H LYS A 138 29.109 -4.338 -59.367 1.00 23.31 H new ATOM 0 HA LYS A 138 30.592 -6.601 -60.072 1.00 71.10 H new ATOM 0 HB2 LYS A 138 28.534 -5.961 -61.200 1.00 73.13 H new ATOM 0 HB3 LYS A 138 29.224 -4.433 -61.711 1.00 73.13 H new ATOM 0 HG2 LYS A 138 30.811 -5.596 -63.183 1.00 75.54 H new ATOM 0 HG3 LYS A 138 30.246 -7.153 -62.611 1.00 75.54 H new ATOM 0 HD2 LYS A 138 28.458 -5.119 -63.997 1.00 21.54 H new ATOM 0 HD3 LYS A 138 29.286 -6.415 -64.837 1.00 21.54 H new ATOM 0 HE2 LYS A 138 27.268 -6.773 -62.585 1.00 72.45 H new ATOM 0 HE3 LYS A 138 26.942 -7.012 -64.291 1.00 72.45 H new ATOM 0 HZ1 LYS A 138 27.369 -9.130 -63.486 1.00 15.35 H new ATOM 0 HZ2 LYS A 138 28.851 -8.694 -64.192 1.00 15.35 H new ATOM 0 HZ3 LYS A 138 28.662 -8.626 -62.506 1.00 15.35 H new