USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=27 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+ 175:sc= 1.76 (180deg=1.74) USER MOD Set 1.2: A 85 TYR OH : rot 49:sc= 0.472 USER MOD Single : A 45 SER OG : rot 180:sc= 0.00283 USER MOD Single : A 49 THR OG1 : rot -42:sc= 1.03 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= -0.0254 (180deg=-0.205) USER MOD Single : A 62 GLN :FLIP amide:sc= -0.0553 F(o=-2.4!,f=-0.055) USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= 0.966 (180deg=0.884) USER MOD Single : A 67 LYS NZ :NH3+ -139:sc= 0.652 (180deg=-1.04!) USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.35) USER MOD Single : A 75 THR OG1 : rot -163:sc= 0.745 USER MOD Single : A 79 LYS NZ :NH3+ -170:sc= 2.25 (180deg=1.7) USER MOD Single : A 86 LYS NZ :NH3+ -178:sc= 1.2 (180deg=1.14) 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+ 129:sc= 1.2 (180deg=-0.0545) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 115 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00945) USER MOD Single : A 118 GLN :FLIP amide:sc= -0.103 F(o=-0.89,f=-0.1) USER MOD Single : A 119 THR OG1 : rot -89:sc= -0.643! USER MOD Single : A 122 LYS NZ :NH3+ 159:sc= 2.23 (180deg=0.851) 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 45:sc= 0.821 USER MOD Single : A 128 LYS NZ :NH3+ 168:sc= 0.986 (180deg=0.48) USER MOD Single : A 131 ASN : amide:sc= 1.23 K(o=1.2,f=-0.15) USER MOD Single : A 134 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0449) USER MOD Single : A 136 LYS NZ :NH3+ -147:sc= 1.73 (180deg=1.01) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 222 N PRO A 41 4.338 -9.352 -26.842 1.00 73.55 N ATOM 223 CA PRO A 41 5.665 -9.115 -27.389 1.00 51.01 C ATOM 224 C PRO A 41 5.984 -10.059 -28.545 1.00 71.33 C ATOM 225 O PRO A 41 5.084 -10.561 -29.224 1.00 3.44 O ATOM 226 CB PRO A 41 6.552 -9.419 -26.188 1.00 3.21 C ATOM 227 CG PRO A 41 5.837 -10.505 -25.446 1.00 34.34 C ATOM 228 CD PRO A 41 4.369 -10.379 -25.788 1.00 0.54 C ATOM 0 HA PRO A 41 5.788 -8.115 -27.804 1.00 51.01 H new ATOM 0 HB2 PRO A 41 7.545 -9.742 -26.502 1.00 3.21 H new ATOM 0 HB3 PRO A 41 6.687 -8.536 -25.563 1.00 3.21 H new ATOM 0 HG2 PRO A 41 6.218 -11.485 -25.734 1.00 34.34 H new ATOM 0 HG3 PRO A 41 5.993 -10.406 -24.372 1.00 34.34 H new ATOM 0 HD2 PRO A 41 3.958 -11.325 -26.140 1.00 0.54 H new ATOM 0 HD3 PRO A 41 3.781 -10.079 -24.921 1.00 0.54 H new ATOM 236 N LEU A 42 7.271 -10.281 -28.774 1.00 72.43 N ATOM 237 CA LEU A 42 7.713 -11.262 -29.749 1.00 62.21 C ATOM 238 C LEU A 42 7.385 -12.667 -29.250 1.00 21.33 C ATOM 239 O LEU A 42 7.957 -13.141 -28.268 1.00 12.41 O ATOM 240 CB LEU A 42 9.222 -11.125 -30.037 1.00 12.21 C ATOM 241 CG LEU A 42 10.191 -11.472 -28.889 1.00 14.35 C ATOM 242 CD1 LEU A 42 11.602 -11.614 -29.424 1.00 75.32 C ATOM 243 CD2 LEU A 42 10.171 -10.416 -27.793 1.00 53.23 C ATOM 0 H LEU A 42 8.027 -9.792 -28.295 1.00 72.43 H new ATOM 0 HA LEU A 42 7.184 -11.082 -30.685 1.00 62.21 H new ATOM 0 HB2 LEU A 42 9.463 -11.763 -30.887 1.00 12.21 H new ATOM 0 HB3 LEU A 42 9.416 -10.097 -30.344 1.00 12.21 H new ATOM 0 HG LEU A 42 9.860 -12.416 -28.457 1.00 14.35 H new ATOM 0 HD11 LEU A 42 12.279 -11.859 -28.605 1.00 75.32 H new ATOM 0 HD12 LEU A 42 11.630 -12.409 -30.169 1.00 75.32 H new ATOM 0 HD13 LEU A 42 11.913 -10.676 -29.883 1.00 75.32 H new ATOM 0 HD21 LEU A 42 10.867 -10.698 -27.003 1.00 53.23 H new ATOM 0 HD22 LEU A 42 10.466 -9.453 -28.210 1.00 53.23 H new ATOM 0 HD23 LEU A 42 9.165 -10.339 -27.380 1.00 53.23 H new ATOM 255 N ASP A 43 6.441 -13.318 -29.906 1.00 23.53 N ATOM 256 CA ASP A 43 6.012 -14.640 -29.485 1.00 4.15 C ATOM 257 C ASP A 43 5.650 -15.486 -30.699 1.00 54.42 C ATOM 258 O ASP A 43 5.725 -15.014 -31.837 1.00 54.24 O ATOM 259 CB ASP A 43 4.810 -14.528 -28.541 1.00 24.11 C ATOM 260 CG ASP A 43 4.725 -15.680 -27.555 1.00 50.42 C ATOM 261 OD1 ASP A 43 5.414 -16.702 -27.759 1.00 21.52 O ATOM 262 OD2 ASP A 43 3.993 -15.550 -26.553 1.00 0.35 O ATOM 0 H ASP A 43 5.959 -12.955 -30.728 1.00 23.53 H new ATOM 0 HA ASP A 43 6.832 -15.123 -28.954 1.00 4.15 H new ATOM 0 HB2 ASP A 43 4.872 -13.589 -27.991 1.00 24.11 H new ATOM 0 HB3 ASP A 43 3.894 -14.492 -29.130 1.00 24.11 H new ATOM 267 N ALA A 44 5.244 -16.724 -30.452 1.00 61.41 N ATOM 268 CA ALA A 44 4.868 -17.645 -31.517 1.00 13.54 C ATOM 269 C ALA A 44 3.666 -17.125 -32.298 1.00 62.54 C ATOM 270 O ALA A 44 3.508 -17.422 -33.484 1.00 22.13 O ATOM 271 CB ALA A 44 4.573 -19.018 -30.936 1.00 40.23 C ATOM 0 H ALA A 44 5.166 -17.117 -29.514 1.00 61.41 H new ATOM 0 HA ALA A 44 5.705 -17.725 -32.211 1.00 13.54 H new ATOM 0 HB1 ALA A 44 4.293 -19.700 -31.739 1.00 40.23 H new ATOM 0 HB2 ALA A 44 5.461 -19.398 -30.431 1.00 40.23 H new ATOM 0 HB3 ALA A 44 3.753 -18.942 -30.222 1.00 40.23 H new ATOM 277 N SER A 45 2.838 -16.332 -31.629 1.00 32.34 N ATOM 278 CA SER A 45 1.648 -15.748 -32.236 1.00 20.12 C ATOM 279 C SER A 45 2.009 -14.899 -33.459 1.00 73.20 C ATOM 280 O SER A 45 1.232 -14.789 -34.408 1.00 13.43 O ATOM 281 CB SER A 45 0.923 -14.890 -31.200 1.00 52.33 C ATOM 282 OG SER A 45 0.834 -15.574 -29.958 1.00 54.32 O ATOM 0 H SER A 45 2.972 -16.076 -30.651 1.00 32.34 H new ATOM 0 HA SER A 45 0.996 -16.555 -32.570 1.00 20.12 H new ATOM 0 HB2 SER A 45 1.454 -13.947 -31.065 1.00 52.33 H new ATOM 0 HB3 SER A 45 -0.077 -14.645 -31.559 1.00 52.33 H new ATOM 0 HG SER A 45 0.369 -15.009 -29.306 1.00 54.32 H new ATOM 288 N PHE A 46 3.201 -14.318 -33.429 1.00 60.10 N ATOM 289 CA PHE A 46 3.687 -13.482 -34.520 1.00 54.42 C ATOM 290 C PHE A 46 4.059 -14.330 -35.740 1.00 13.35 C ATOM 291 O PHE A 46 3.964 -13.878 -36.880 1.00 73.00 O ATOM 292 CB PHE A 46 4.898 -12.671 -34.040 1.00 33.12 C ATOM 293 CG PHE A 46 5.556 -11.849 -35.113 1.00 1.24 C ATOM 294 CD1 PHE A 46 4.895 -10.777 -35.685 1.00 73.41 C ATOM 295 CD2 PHE A 46 6.835 -12.155 -35.550 1.00 13.21 C ATOM 296 CE1 PHE A 46 5.500 -10.021 -36.671 1.00 45.43 C ATOM 297 CE2 PHE A 46 7.445 -11.403 -36.535 1.00 71.02 C ATOM 298 CZ PHE A 46 6.775 -10.337 -37.099 1.00 73.45 C ATOM 0 H PHE A 46 3.856 -14.412 -32.652 1.00 60.10 H new ATOM 0 HA PHE A 46 2.891 -12.800 -34.821 1.00 54.42 H new ATOM 0 HB2 PHE A 46 4.581 -12.009 -33.234 1.00 33.12 H new ATOM 0 HB3 PHE A 46 5.635 -13.355 -33.619 1.00 33.12 H new ATOM 0 HD1 PHE A 46 3.896 -10.528 -35.358 1.00 73.41 H new ATOM 0 HD2 PHE A 46 7.361 -12.992 -35.115 1.00 13.21 H new ATOM 0 HE1 PHE A 46 4.976 -9.183 -37.107 1.00 45.43 H new ATOM 0 HE2 PHE A 46 8.444 -11.649 -36.863 1.00 71.02 H new ATOM 0 HZ PHE A 46 7.246 -9.751 -37.874 1.00 73.45 H new ATOM 308 N CYS A 47 4.462 -15.565 -35.494 1.00 32.05 N ATOM 309 CA CYS A 47 4.970 -16.428 -36.554 1.00 33.42 C ATOM 310 C CYS A 47 3.857 -17.251 -37.201 1.00 44.03 C ATOM 311 O CYS A 47 4.093 -17.961 -38.176 1.00 54.54 O ATOM 312 CB CYS A 47 6.037 -17.363 -35.989 1.00 12.00 C ATOM 313 SG CYS A 47 7.394 -16.499 -35.131 1.00 41.23 S ATOM 0 H CYS A 47 4.448 -15.996 -34.569 1.00 32.05 H new ATOM 0 HA CYS A 47 5.402 -15.789 -37.324 1.00 33.42 H new ATOM 0 HB2 CYS A 47 5.566 -18.059 -35.295 1.00 12.00 H new ATOM 0 HB3 CYS A 47 6.454 -17.957 -36.802 1.00 12.00 H new ATOM 318 N ARG A 48 2.644 -17.126 -36.677 1.00 31.12 N ATOM 319 CA ARG A 48 1.522 -17.976 -37.095 1.00 0.51 C ATOM 320 C ARG A 48 1.140 -17.767 -38.563 1.00 53.42 C ATOM 321 O ARG A 48 0.555 -18.649 -39.185 1.00 24.00 O ATOM 322 CB ARG A 48 0.309 -17.709 -36.205 1.00 15.14 C ATOM 323 CG ARG A 48 0.573 -17.959 -34.732 1.00 31.24 C ATOM 324 CD ARG A 48 0.778 -19.435 -34.435 1.00 12.14 C ATOM 325 NE ARG A 48 -0.483 -20.174 -34.464 1.00 75.11 N ATOM 326 CZ ARG A 48 -0.578 -21.496 -34.338 1.00 60.14 C ATOM 327 NH1 ARG A 48 0.515 -22.238 -34.204 1.00 4.42 N ATOM 328 NH2 ARG A 48 -1.775 -22.069 -34.347 1.00 62.31 N ATOM 0 H ARG A 48 2.406 -16.443 -35.958 1.00 31.12 H new ATOM 0 HA ARG A 48 1.847 -19.011 -36.989 1.00 0.51 H new ATOM 0 HB2 ARG A 48 -0.009 -16.675 -36.339 1.00 15.14 H new ATOM 0 HB3 ARG A 48 -0.517 -18.341 -36.531 1.00 15.14 H new ATOM 0 HG2 ARG A 48 1.456 -17.400 -34.422 1.00 31.24 H new ATOM 0 HG3 ARG A 48 -0.265 -17.583 -34.144 1.00 31.24 H new ATOM 0 HD2 ARG A 48 1.466 -19.861 -35.165 1.00 12.14 H new ATOM 0 HD3 ARG A 48 1.243 -19.548 -33.456 1.00 12.14 H new ATOM 0 HE ARG A 48 -1.345 -19.643 -34.589 1.00 75.11 H new ATOM 0 HH11 ARG A 48 1.434 -21.796 -34.197 1.00 4.42 H new ATOM 0 HH12 ARG A 48 0.436 -23.250 -34.108 1.00 4.42 H new ATOM 0 HH21 ARG A 48 -2.613 -21.497 -34.450 1.00 62.31 H new ATOM 0 HH22 ARG A 48 -1.857 -23.081 -34.251 1.00 62.31 H new ATOM 342 N THR A 49 1.472 -16.608 -39.109 1.00 53.31 N ATOM 343 CA THR A 49 1.106 -16.281 -40.481 1.00 31.21 C ATOM 344 C THR A 49 2.314 -16.389 -41.417 1.00 72.24 C ATOM 345 O THR A 49 2.278 -15.922 -42.554 1.00 52.51 O ATOM 346 CB THR A 49 0.508 -14.857 -40.560 1.00 13.41 C ATOM 347 OG1 THR A 49 0.090 -14.560 -41.900 1.00 72.22 O ATOM 348 CG2 THR A 49 1.522 -13.818 -40.100 1.00 64.31 C ATOM 0 H THR A 49 1.994 -15.877 -38.625 1.00 53.31 H new ATOM 0 HA THR A 49 0.354 -17.002 -40.803 1.00 31.21 H new ATOM 0 HB THR A 49 -0.358 -14.821 -39.899 1.00 13.41 H new ATOM 0 HG1 THR A 49 0.762 -14.890 -42.533 1.00 72.22 H new ATOM 0 HG21 THR A 49 1.079 -12.824 -40.164 1.00 64.31 H new ATOM 0 HG22 THR A 49 1.809 -14.021 -39.068 1.00 64.31 H new ATOM 0 HG23 THR A 49 2.405 -13.864 -40.738 1.00 64.31 H new ATOM 356 N ALA A 50 3.374 -17.021 -40.940 1.00 52.42 N ATOM 357 CA ALA A 50 4.615 -17.086 -41.701 1.00 34.20 C ATOM 358 C ALA A 50 4.740 -18.386 -42.484 1.00 2.40 C ATOM 359 O ALA A 50 5.065 -18.381 -43.672 1.00 41.43 O ATOM 360 CB ALA A 50 5.803 -16.920 -40.773 1.00 13.10 C ATOM 0 H ALA A 50 3.403 -17.494 -40.037 1.00 52.42 H new ATOM 0 HA ALA A 50 4.599 -16.270 -42.424 1.00 34.20 H new ATOM 0 HB1 ALA A 50 6.726 -16.970 -41.351 1.00 13.10 H new ATOM 0 HB2 ALA A 50 5.741 -15.954 -40.271 1.00 13.10 H new ATOM 0 HB3 ALA A 50 5.797 -17.716 -40.029 1.00 13.10 H new ATOM 366 N GLY A 51 4.489 -19.502 -41.816 1.00 22.23 N ATOM 367 CA GLY A 51 4.662 -20.794 -42.448 1.00 41.11 C ATOM 368 C GLY A 51 6.116 -21.226 -42.503 1.00 42.22 C ATOM 369 O GLY A 51 6.541 -22.092 -41.736 1.00 2.14 O ATOM 0 H GLY A 51 4.169 -19.536 -40.848 1.00 22.23 H new ATOM 0 HA2 GLY A 51 4.085 -21.541 -41.903 1.00 41.11 H new ATOM 0 HA3 GLY A 51 4.259 -20.756 -43.460 1.00 41.11 H new ATOM 373 N SER A 52 6.885 -20.599 -43.390 1.00 21.43 N ATOM 374 CA SER A 52 8.272 -20.989 -43.636 1.00 23.32 C ATOM 375 C SER A 52 9.133 -20.914 -42.374 1.00 45.22 C ATOM 376 O SER A 52 9.812 -21.876 -42.021 1.00 54.15 O ATOM 377 CB SER A 52 8.874 -20.097 -44.723 1.00 54.00 C ATOM 378 OG SER A 52 8.192 -20.267 -45.954 1.00 40.12 O ATOM 0 H SER A 52 6.568 -19.812 -43.955 1.00 21.43 H new ATOM 0 HA SER A 52 8.263 -22.029 -43.963 1.00 23.32 H new ATOM 0 HB2 SER A 52 8.819 -19.053 -44.414 1.00 54.00 H new ATOM 0 HB3 SER A 52 9.930 -20.336 -44.852 1.00 54.00 H new ATOM 0 HG SER A 52 8.593 -19.686 -46.633 1.00 40.12 H new ATOM 384 N ARG A 53 9.081 -19.788 -41.675 1.00 5.42 N ATOM 385 CA ARG A 53 9.872 -19.626 -40.463 1.00 20.44 C ATOM 386 C ARG A 53 8.998 -19.782 -39.227 1.00 32.42 C ATOM 387 O ARG A 53 9.426 -19.523 -38.106 1.00 61.41 O ATOM 388 CB ARG A 53 10.635 -18.288 -40.474 1.00 31.42 C ATOM 389 CG ARG A 53 9.814 -17.061 -40.862 1.00 62.34 C ATOM 390 CD ARG A 53 9.059 -16.476 -39.681 1.00 1.44 C ATOM 391 NE ARG A 53 8.455 -15.179 -40.004 1.00 34.25 N ATOM 392 CZ ARG A 53 7.935 -14.347 -39.101 1.00 15.43 C ATOM 393 NH1 ARG A 53 7.960 -14.662 -37.810 1.00 54.42 N ATOM 394 NH2 ARG A 53 7.392 -13.195 -39.490 1.00 32.11 N ATOM 0 H ARG A 53 8.507 -18.982 -41.922 1.00 5.42 H new ATOM 0 HA ARG A 53 10.622 -20.416 -40.430 1.00 20.44 H new ATOM 0 HB2 ARG A 53 11.055 -18.122 -39.482 1.00 31.42 H new ATOM 0 HB3 ARG A 53 11.474 -18.375 -41.165 1.00 31.42 H new ATOM 0 HG2 ARG A 53 10.475 -16.302 -41.280 1.00 62.34 H new ATOM 0 HG3 ARG A 53 9.106 -17.333 -41.645 1.00 62.34 H new ATOM 0 HD2 ARG A 53 8.280 -17.171 -39.368 1.00 1.44 H new ATOM 0 HD3 ARG A 53 9.739 -16.359 -38.837 1.00 1.44 H new ATOM 0 HE ARG A 53 8.431 -14.895 -40.983 1.00 34.25 H new ATOM 0 HH11 ARG A 53 8.378 -15.542 -37.508 1.00 54.42 H new ATOM 0 HH12 ARG A 53 7.561 -14.024 -37.121 1.00 54.42 H new ATOM 0 HH21 ARG A 53 7.374 -12.948 -40.480 1.00 32.11 H new ATOM 0 HH22 ARG A 53 6.994 -12.559 -38.798 1.00 32.11 H new ATOM 408 N GLU A 54 7.768 -20.220 -39.450 1.00 3.13 N ATOM 409 CA GLU A 54 6.848 -20.534 -38.366 1.00 52.33 C ATOM 410 C GLU A 54 7.295 -21.800 -37.647 1.00 64.32 C ATOM 411 O GLU A 54 7.301 -21.865 -36.419 1.00 1.02 O ATOM 412 CB GLU A 54 5.441 -20.734 -38.924 1.00 10.51 C ATOM 413 CG GLU A 54 4.400 -21.096 -37.878 1.00 62.53 C ATOM 414 CD GLU A 54 3.081 -21.483 -38.507 1.00 72.42 C ATOM 415 OE1 GLU A 54 2.656 -20.803 -39.463 1.00 65.14 O ATOM 416 OE2 GLU A 54 2.474 -22.484 -38.065 1.00 34.44 O ATOM 0 H GLU A 54 7.381 -20.367 -40.382 1.00 3.13 H new ATOM 0 HA GLU A 54 6.844 -19.705 -37.658 1.00 52.33 H new ATOM 0 HB2 GLU A 54 5.129 -19.820 -39.429 1.00 10.51 H new ATOM 0 HB3 GLU A 54 5.470 -21.520 -39.678 1.00 10.51 H new ATOM 0 HG2 GLU A 54 4.768 -21.922 -37.270 1.00 62.53 H new ATOM 0 HG3 GLU A 54 4.248 -20.250 -37.208 1.00 62.53 H new ATOM 423 N LYS A 55 7.693 -22.790 -38.437 1.00 20.22 N ATOM 424 CA LYS A 55 8.032 -24.110 -37.924 1.00 22.31 C ATOM 425 C LYS A 55 9.308 -24.077 -37.083 1.00 42.03 C ATOM 426 O LYS A 55 9.481 -24.897 -36.182 1.00 72.04 O ATOM 427 CB LYS A 55 8.161 -25.093 -39.091 1.00 44.00 C ATOM 428 CG LYS A 55 6.906 -25.145 -39.948 1.00 44.23 C ATOM 429 CD LYS A 55 7.045 -26.102 -41.117 1.00 35.24 C ATOM 430 CE LYS A 55 5.806 -26.060 -41.999 1.00 14.43 C ATOM 431 NZ LYS A 55 5.875 -27.030 -43.120 1.00 51.13 N ATOM 0 H LYS A 55 7.789 -22.700 -39.448 1.00 20.22 H new ATOM 0 HA LYS A 55 7.231 -24.444 -37.265 1.00 22.31 H new ATOM 0 HB2 LYS A 55 9.010 -24.806 -39.712 1.00 44.00 H new ATOM 0 HB3 LYS A 55 8.373 -26.089 -38.702 1.00 44.00 H new ATOM 0 HG2 LYS A 55 6.060 -25.449 -39.331 1.00 44.23 H new ATOM 0 HG3 LYS A 55 6.684 -24.146 -40.324 1.00 44.23 H new ATOM 0 HD2 LYS A 55 7.925 -25.840 -41.705 1.00 35.24 H new ATOM 0 HD3 LYS A 55 7.199 -27.116 -40.747 1.00 35.24 H new ATOM 0 HE2 LYS A 55 4.925 -26.272 -41.393 1.00 14.43 H new ATOM 0 HE3 LYS A 55 5.683 -25.054 -42.400 1.00 14.43 H new ATOM 0 HZ1 LYS A 55 5.008 -26.963 -43.691 1.00 51.13 H new ATOM 0 HZ2 LYS A 55 6.700 -26.814 -43.716 1.00 51.13 H new ATOM 0 HZ3 LYS A 55 5.965 -27.994 -42.740 1.00 51.13 H new ATOM 445 N ASP A 56 10.191 -23.127 -37.372 1.00 15.41 N ATOM 446 CA ASP A 56 11.385 -22.926 -36.553 1.00 23.01 C ATOM 447 C ASP A 56 11.029 -22.103 -35.321 1.00 42.45 C ATOM 448 O ASP A 56 11.537 -22.343 -34.224 1.00 53.15 O ATOM 449 CB ASP A 56 12.487 -22.223 -37.362 1.00 41.15 C ATOM 450 CG ASP A 56 13.760 -22.000 -36.561 1.00 0.11 C ATOM 451 OD1 ASP A 56 14.421 -22.993 -36.200 1.00 75.51 O ATOM 452 OD2 ASP A 56 14.109 -20.827 -36.292 1.00 34.54 O ATOM 0 H ASP A 56 10.105 -22.487 -38.162 1.00 15.41 H new ATOM 0 HA ASP A 56 11.762 -23.899 -36.238 1.00 23.01 H new ATOM 0 HB2 ASP A 56 12.719 -22.819 -38.244 1.00 41.15 H new ATOM 0 HB3 ASP A 56 12.114 -21.262 -37.716 1.00 41.15 H new ATOM 457 N CYS A 57 10.110 -21.161 -35.517 1.00 64.30 N ATOM 458 CA CYS A 57 9.698 -20.230 -34.471 1.00 72.52 C ATOM 459 C CYS A 57 9.096 -20.966 -33.277 1.00 42.12 C ATOM 460 O CYS A 57 9.560 -20.808 -32.148 1.00 3.05 O ATOM 461 CB CYS A 57 8.688 -19.236 -35.047 1.00 33.03 C ATOM 462 SG CYS A 57 8.173 -17.916 -33.903 1.00 23.43 S ATOM 0 H CYS A 57 9.630 -21.022 -36.406 1.00 64.30 H new ATOM 0 HA CYS A 57 10.578 -19.694 -34.117 1.00 72.52 H new ATOM 0 HB2 CYS A 57 9.119 -18.778 -35.937 1.00 33.03 H new ATOM 0 HB3 CYS A 57 7.802 -19.785 -35.368 1.00 33.03 H new ATOM 467 N ARG A 58 8.076 -21.784 -33.542 1.00 44.14 N ATOM 468 CA ARG A 58 7.379 -22.546 -32.498 1.00 15.15 C ATOM 469 C ARG A 58 8.333 -23.313 -31.580 1.00 50.24 C ATOM 470 O ARG A 58 8.059 -23.477 -30.393 1.00 35.34 O ATOM 471 CB ARG A 58 6.400 -23.528 -33.151 1.00 41.32 C ATOM 472 CG ARG A 58 7.015 -24.290 -34.314 1.00 15.14 C ATOM 473 CD ARG A 58 6.058 -25.300 -34.926 1.00 11.51 C ATOM 474 NE ARG A 58 5.862 -26.467 -34.070 1.00 4.44 N ATOM 475 CZ ARG A 58 6.591 -27.583 -34.152 1.00 11.01 C ATOM 476 NH1 ARG A 58 7.617 -27.655 -34.993 1.00 12.34 N ATOM 477 NH2 ARG A 58 6.305 -28.620 -33.377 1.00 13.51 N ATOM 0 H ARG A 58 7.709 -21.938 -34.481 1.00 44.14 H new ATOM 0 HA ARG A 58 6.848 -21.825 -31.877 1.00 15.15 H new ATOM 0 HB2 ARG A 58 6.051 -24.238 -32.401 1.00 41.32 H new ATOM 0 HB3 ARG A 58 5.525 -22.981 -33.503 1.00 41.32 H new ATOM 0 HG2 ARG A 58 7.329 -23.582 -35.081 1.00 15.14 H new ATOM 0 HG3 ARG A 58 7.911 -24.807 -33.971 1.00 15.14 H new ATOM 0 HD2 ARG A 58 5.096 -24.821 -35.109 1.00 11.51 H new ATOM 0 HD3 ARG A 58 6.443 -25.622 -35.893 1.00 11.51 H new ATOM 0 HE ARG A 58 5.124 -26.427 -33.367 1.00 4.44 H new ATOM 0 HH11 ARG A 58 7.852 -26.855 -35.581 1.00 12.34 H new ATOM 0 HH12 ARG A 58 8.170 -28.510 -35.051 1.00 12.34 H new ATOM 0 HH21 ARG A 58 5.528 -28.565 -32.718 1.00 13.51 H new ATOM 0 HH22 ARG A 58 6.862 -29.472 -33.440 1.00 13.51 H new ATOM 491 N LYS A 59 9.442 -23.784 -32.121 1.00 64.24 N ATOM 492 CA LYS A 59 10.432 -24.478 -31.316 1.00 41.10 C ATOM 493 C LYS A 59 11.282 -23.483 -30.523 1.00 4.41 C ATOM 494 O LYS A 59 11.419 -23.591 -29.304 1.00 63.14 O ATOM 495 CB LYS A 59 11.324 -25.346 -32.211 1.00 60.34 C ATOM 496 CG LYS A 59 12.548 -25.919 -31.505 1.00 5.33 C ATOM 497 CD LYS A 59 12.171 -26.836 -30.352 1.00 23.41 C ATOM 498 CE LYS A 59 13.407 -27.356 -29.635 1.00 72.21 C ATOM 499 NZ LYS A 59 14.175 -26.264 -28.976 1.00 40.20 N ATOM 0 H LYS A 59 9.680 -23.700 -33.109 1.00 64.24 H new ATOM 0 HA LYS A 59 9.911 -25.121 -30.607 1.00 41.10 H new ATOM 0 HB2 LYS A 59 10.730 -26.169 -32.609 1.00 60.34 H new ATOM 0 HB3 LYS A 59 11.655 -24.751 -33.062 1.00 60.34 H new ATOM 0 HG2 LYS A 59 13.154 -26.472 -32.223 1.00 5.33 H new ATOM 0 HG3 LYS A 59 13.164 -25.102 -31.130 1.00 5.33 H new ATOM 0 HD2 LYS A 59 11.539 -26.297 -29.647 1.00 23.41 H new ATOM 0 HD3 LYS A 59 11.586 -27.675 -30.728 1.00 23.41 H new ATOM 0 HE2 LYS A 59 13.109 -28.091 -28.887 1.00 72.21 H new ATOM 0 HE3 LYS A 59 14.050 -27.870 -30.349 1.00 72.21 H new ATOM 0 HZ1 LYS A 59 14.873 -26.675 -28.324 1.00 40.20 H new ATOM 0 HZ2 LYS A 59 14.666 -25.700 -29.699 1.00 40.20 H new ATOM 0 HZ3 LYS A 59 13.523 -25.653 -28.444 1.00 40.20 H new ATOM 513 N ASP A 60 11.825 -22.503 -31.232 1.00 33.20 N ATOM 514 CA ASP A 60 12.873 -21.643 -30.693 1.00 32.44 C ATOM 515 C ASP A 60 12.339 -20.599 -29.712 1.00 53.52 C ATOM 516 O ASP A 60 12.954 -20.352 -28.674 1.00 51.11 O ATOM 517 CB ASP A 60 13.606 -20.956 -31.848 1.00 73.01 C ATOM 518 CG ASP A 60 15.043 -20.616 -31.510 1.00 15.13 C ATOM 519 OD1 ASP A 60 15.679 -21.383 -30.755 1.00 22.10 O ATOM 520 OD2 ASP A 60 15.559 -19.610 -32.036 1.00 23.10 O ATOM 0 H ASP A 60 11.555 -22.281 -32.190 1.00 33.20 H new ATOM 0 HA ASP A 60 13.560 -22.275 -30.130 1.00 32.44 H new ATOM 0 HB2 ASP A 60 13.587 -21.606 -32.723 1.00 73.01 H new ATOM 0 HB3 ASP A 60 13.075 -20.043 -32.118 1.00 73.01 H new ATOM 525 N VAL A 61 11.201 -19.989 -30.029 1.00 31.23 N ATOM 526 CA VAL A 61 10.667 -18.912 -29.194 1.00 24.45 C ATOM 527 C VAL A 61 10.196 -19.438 -27.834 1.00 21.22 C ATOM 528 O VAL A 61 10.365 -18.775 -26.810 1.00 13.33 O ATOM 529 CB VAL A 61 9.513 -18.145 -29.897 1.00 62.51 C ATOM 530 CG1 VAL A 61 8.281 -19.017 -30.073 1.00 3.12 C ATOM 531 CG2 VAL A 61 9.164 -16.875 -29.132 1.00 24.21 C ATOM 0 H VAL A 61 10.635 -20.216 -30.847 1.00 31.23 H new ATOM 0 HA VAL A 61 11.487 -18.212 -29.032 1.00 24.45 H new ATOM 0 HB VAL A 61 9.865 -17.868 -30.891 1.00 62.51 H new ATOM 0 HG11 VAL A 61 7.497 -18.444 -30.568 1.00 3.12 H new ATOM 0 HG12 VAL A 61 8.534 -19.886 -30.681 1.00 3.12 H new ATOM 0 HG13 VAL A 61 7.927 -19.348 -29.097 1.00 3.12 H new ATOM 0 HG21 VAL A 61 8.354 -16.354 -29.642 1.00 24.21 H new ATOM 0 HG22 VAL A 61 8.849 -17.134 -28.121 1.00 24.21 H new ATOM 0 HG23 VAL A 61 10.039 -16.227 -29.085 1.00 24.21 H new ATOM 541 N GLN A 62 9.630 -20.641 -27.824 1.00 20.22 N ATOM 542 CA GLN A 62 9.115 -21.240 -26.592 1.00 73.50 C ATOM 543 C GLN A 62 10.253 -21.646 -25.658 1.00 23.14 C ATOM 544 O GLN A 62 10.057 -21.790 -24.452 1.00 61.03 O ATOM 545 CB GLN A 62 8.241 -22.455 -26.912 1.00 51.33 C ATOM 546 CG GLN A 62 7.010 -22.121 -27.745 1.00 34.40 C ATOM 547 CD GLN A 62 6.046 -21.192 -27.031 1.00 52.22 C ATOM 548 OE1 GLN A 62 6.218 -19.894 -27.225 1.00 45.24 O flip ATOM 549 NE2 GLN A 62 5.146 -21.639 -26.319 1.00 55.41 N flip ATOM 0 H GLN A 62 9.515 -21.222 -28.654 1.00 20.22 H new ATOM 0 HA GLN A 62 8.508 -20.490 -26.085 1.00 73.50 H new ATOM 0 HB2 GLN A 62 8.841 -23.193 -27.445 1.00 51.33 H new ATOM 0 HB3 GLN A 62 7.922 -22.918 -25.978 1.00 51.33 H new ATOM 0 HG2 GLN A 62 7.325 -21.659 -28.681 1.00 34.40 H new ATOM 0 HG3 GLN A 62 6.492 -23.044 -28.004 1.00 34.40 H new ATOM 0 HE21 GLN A 62 5.047 -22.647 -26.195 1.00 55.41 H new ATOM 0 HE22 GLN A 62 4.500 -21.002 -25.854 1.00 55.41 H new ATOM 558 N ALA A 63 11.436 -21.824 -26.228 1.00 1.44 N ATOM 559 CA ALA A 63 12.618 -22.181 -25.453 1.00 50.43 C ATOM 560 C ALA A 63 13.094 -21.006 -24.600 1.00 4.10 C ATOM 561 O ALA A 63 13.813 -21.185 -23.616 1.00 51.45 O ATOM 562 CB ALA A 63 13.732 -22.649 -26.378 1.00 24.54 C ATOM 0 H ALA A 63 11.604 -21.727 -27.229 1.00 1.44 H new ATOM 0 HA ALA A 63 12.349 -22.997 -24.782 1.00 50.43 H new ATOM 0 HB1 ALA A 63 14.609 -22.913 -25.787 1.00 24.54 H new ATOM 0 HB2 ALA A 63 13.397 -23.521 -26.939 1.00 24.54 H new ATOM 0 HB3 ALA A 63 13.989 -21.849 -27.072 1.00 24.54 H new ATOM 568 N CYS A 64 12.685 -19.806 -24.982 1.00 22.24 N ATOM 569 CA CYS A 64 13.066 -18.600 -24.266 1.00 73.24 C ATOM 570 C CYS A 64 11.893 -18.125 -23.410 1.00 64.33 C ATOM 571 O CYS A 64 10.946 -17.525 -23.916 1.00 61.44 O ATOM 572 CB CYS A 64 13.503 -17.520 -25.273 1.00 1.32 C ATOM 573 SG CYS A 64 14.059 -15.944 -24.538 1.00 74.14 S ATOM 0 H CYS A 64 12.085 -19.642 -25.790 1.00 22.24 H new ATOM 0 HA CYS A 64 13.908 -18.806 -23.605 1.00 73.24 H new ATOM 0 HB2 CYS A 64 14.312 -17.922 -25.883 1.00 1.32 H new ATOM 0 HB3 CYS A 64 12.669 -17.314 -25.944 1.00 1.32 H new ATOM 578 N ASP A 65 11.944 -18.439 -22.115 1.00 40.42 N ATOM 579 CA ASP A 65 10.861 -18.096 -21.190 1.00 41.13 C ATOM 580 C ASP A 65 10.846 -16.608 -20.891 1.00 42.33 C ATOM 581 O ASP A 65 9.787 -15.978 -20.858 1.00 2.54 O ATOM 582 CB ASP A 65 10.980 -18.879 -19.880 1.00 72.22 C ATOM 583 CG ASP A 65 10.393 -20.271 -19.970 1.00 33.33 C ATOM 584 OD1 ASP A 65 9.175 -20.422 -19.726 1.00 33.01 O ATOM 585 OD2 ASP A 65 11.145 -21.220 -20.264 1.00 41.33 O ATOM 0 H ASP A 65 12.725 -18.931 -21.681 1.00 40.42 H new ATOM 0 HA ASP A 65 9.925 -18.368 -21.678 1.00 41.13 H new ATOM 0 HB2 ASP A 65 12.031 -18.951 -19.600 1.00 72.22 H new ATOM 0 HB3 ASP A 65 10.475 -18.328 -19.086 1.00 72.22 H new ATOM 590 N LYS A 66 12.021 -16.046 -20.670 1.00 53.11 N ATOM 591 CA LYS A 66 12.129 -14.619 -20.438 1.00 60.53 C ATOM 592 C LYS A 66 12.563 -13.935 -21.720 1.00 40.12 C ATOM 593 O LYS A 66 13.755 -13.827 -22.018 1.00 33.13 O ATOM 594 CB LYS A 66 13.093 -14.293 -19.287 1.00 12.53 C ATOM 595 CG LYS A 66 12.579 -14.736 -17.922 1.00 63.45 C ATOM 596 CD LYS A 66 13.263 -13.993 -16.778 1.00 1.41 C ATOM 597 CE LYS A 66 14.734 -14.352 -16.656 1.00 31.24 C ATOM 598 NZ LYS A 66 15.359 -13.702 -15.471 1.00 41.03 N ATOM 0 H LYS A 66 12.906 -16.552 -20.647 1.00 53.11 H new ATOM 0 HA LYS A 66 11.150 -14.244 -20.139 1.00 60.53 H new ATOM 0 HB2 LYS A 66 14.052 -14.774 -19.479 1.00 12.53 H new ATOM 0 HB3 LYS A 66 13.273 -13.218 -19.268 1.00 12.53 H new ATOM 0 HG2 LYS A 66 11.503 -14.569 -17.869 1.00 63.45 H new ATOM 0 HG3 LYS A 66 12.741 -15.808 -17.805 1.00 63.45 H new ATOM 0 HD2 LYS A 66 13.165 -12.919 -16.935 1.00 1.41 H new ATOM 0 HD3 LYS A 66 12.756 -14.226 -15.842 1.00 1.41 H new ATOM 0 HE2 LYS A 66 14.840 -15.434 -16.577 1.00 31.24 H new ATOM 0 HE3 LYS A 66 15.260 -14.046 -17.560 1.00 31.24 H new ATOM 0 HZ1 LYS A 66 16.295 -14.121 -15.299 1.00 41.03 H new ATOM 0 HZ2 LYS A 66 15.463 -12.683 -15.649 1.00 41.03 H new ATOM 0 HZ3 LYS A 66 14.756 -13.848 -14.637 1.00 41.03 H new ATOM 612 N LYS A 67 11.578 -13.484 -22.485 1.00 4.53 N ATOM 613 CA LYS A 67 11.816 -12.874 -23.783 1.00 51.42 C ATOM 614 C LYS A 67 12.179 -11.409 -23.606 1.00 11.22 C ATOM 615 O LYS A 67 12.352 -10.667 -24.568 1.00 20.32 O ATOM 616 CB LYS A 67 10.570 -13.042 -24.657 1.00 51.53 C ATOM 617 CG LYS A 67 10.199 -14.503 -24.860 1.00 23.40 C ATOM 618 CD LYS A 67 8.758 -14.682 -25.304 1.00 32.43 C ATOM 619 CE LYS A 67 8.365 -16.152 -25.269 1.00 25.22 C ATOM 620 NZ LYS A 67 6.909 -16.361 -25.480 1.00 35.33 N ATOM 0 H LYS A 67 10.594 -13.531 -22.222 1.00 4.53 H new ATOM 0 HA LYS A 67 12.652 -13.366 -24.280 1.00 51.42 H new ATOM 0 HB2 LYS A 67 9.733 -12.518 -24.196 1.00 51.53 H new ATOM 0 HB3 LYS A 67 10.744 -12.576 -25.627 1.00 51.53 H new ATOM 0 HG2 LYS A 67 10.862 -14.943 -25.605 1.00 23.40 H new ATOM 0 HG3 LYS A 67 10.359 -15.048 -23.930 1.00 23.40 H new ATOM 0 HD2 LYS A 67 8.098 -14.108 -24.654 1.00 32.43 H new ATOM 0 HD3 LYS A 67 8.631 -14.290 -26.313 1.00 32.43 H new ATOM 0 HE2 LYS A 67 8.920 -16.691 -26.037 1.00 25.22 H new ATOM 0 HE3 LYS A 67 8.654 -16.578 -24.308 1.00 25.22 H new ATOM 0 HZ1 LYS A 67 6.567 -17.099 -24.833 1.00 35.33 H new ATOM 0 HZ2 LYS A 67 6.400 -15.474 -25.293 1.00 35.33 H new ATOM 0 HZ3 LYS A 67 6.740 -16.656 -26.463 1.00 35.33 H new ATOM 634 N TYR A 68 12.278 -11.011 -22.350 1.00 73.41 N ATOM 635 CA TYR A 68 12.798 -9.716 -21.974 1.00 45.31 C ATOM 636 C TYR A 68 13.668 -9.888 -20.747 1.00 75.44 C ATOM 637 O TYR A 68 13.407 -10.757 -19.912 1.00 31.40 O ATOM 638 CB TYR A 68 11.679 -8.718 -21.657 1.00 41.33 C ATOM 639 CG TYR A 68 10.895 -8.250 -22.862 1.00 22.32 C ATOM 640 CD1 TYR A 68 11.486 -7.448 -23.829 1.00 51.32 C ATOM 641 CD2 TYR A 68 9.562 -8.599 -23.024 1.00 11.20 C ATOM 642 CE1 TYR A 68 10.771 -7.007 -24.926 1.00 10.42 C ATOM 643 CE2 TYR A 68 8.841 -8.166 -24.118 1.00 4.10 C ATOM 644 CZ TYR A 68 9.447 -7.369 -25.065 1.00 14.11 C ATOM 645 OH TYR A 68 8.725 -6.933 -26.153 1.00 53.34 O ATOM 0 H TYR A 68 11.996 -11.587 -21.557 1.00 73.41 H new ATOM 0 HA TYR A 68 13.369 -9.319 -22.813 1.00 45.31 H new ATOM 0 HB2 TYR A 68 10.990 -9.177 -20.948 1.00 41.33 H new ATOM 0 HB3 TYR A 68 12.114 -7.849 -21.163 1.00 41.33 H new ATOM 0 HD1 TYR A 68 12.522 -7.164 -23.722 1.00 51.32 H new ATOM 0 HD2 TYR A 68 9.081 -9.219 -22.282 1.00 11.20 H new ATOM 0 HE1 TYR A 68 11.245 -6.383 -25.669 1.00 10.42 H new ATOM 0 HE2 TYR A 68 7.805 -8.451 -24.232 1.00 4.10 H new ATOM 0 HH TYR A 68 9.326 -6.816 -26.919 1.00 53.34 H new ATOM 655 N ASP A 69 14.702 -9.081 -20.650 1.00 12.11 N ATOM 656 CA ASP A 69 15.531 -9.059 -19.462 1.00 33.31 C ATOM 657 C ASP A 69 14.730 -8.448 -18.319 1.00 45.35 C ATOM 658 O ASP A 69 13.726 -7.771 -18.556 1.00 61.34 O ATOM 659 CB ASP A 69 16.831 -8.279 -19.731 1.00 4.12 C ATOM 660 CG ASP A 69 17.053 -7.125 -18.775 1.00 42.25 C ATOM 661 OD1 ASP A 69 16.561 -6.019 -19.060 1.00 70.11 O ATOM 662 OD2 ASP A 69 17.705 -7.326 -17.732 1.00 72.43 O ATOM 0 H ASP A 69 14.990 -8.430 -21.380 1.00 12.11 H new ATOM 0 HA ASP A 69 15.819 -10.073 -19.184 1.00 33.31 H new ATOM 0 HB2 ASP A 69 17.676 -8.964 -19.664 1.00 4.12 H new ATOM 0 HB3 ASP A 69 16.811 -7.896 -20.751 1.00 4.12 H new ATOM 667 N ASP A 70 15.157 -8.702 -17.092 1.00 32.33 N ATOM 668 CA ASP A 70 14.401 -8.301 -15.911 1.00 51.14 C ATOM 669 C ASP A 70 14.172 -6.788 -15.859 1.00 41.34 C ATOM 670 O ASP A 70 13.199 -6.323 -15.262 1.00 21.51 O ATOM 671 CB ASP A 70 15.114 -8.782 -14.644 1.00 55.45 C ATOM 672 CG ASP A 70 15.132 -10.297 -14.529 1.00 3.22 C ATOM 673 OD1 ASP A 70 15.962 -10.947 -15.205 1.00 23.30 O ATOM 674 OD2 ASP A 70 14.317 -10.850 -13.761 1.00 24.34 O ATOM 0 H ASP A 70 16.030 -9.188 -16.885 1.00 32.33 H new ATOM 0 HA ASP A 70 13.419 -8.771 -15.972 1.00 51.14 H new ATOM 0 HB2 ASP A 70 16.138 -8.408 -14.642 1.00 55.45 H new ATOM 0 HB3 ASP A 70 14.619 -8.360 -13.769 1.00 55.45 H new ATOM 679 N GLN A 71 15.050 -6.029 -16.501 1.00 0.10 N ATOM 680 CA GLN A 71 14.950 -4.573 -16.506 1.00 53.15 C ATOM 681 C GLN A 71 14.142 -4.081 -17.708 1.00 72.52 C ATOM 682 O GLN A 71 13.536 -3.010 -17.662 1.00 13.22 O ATOM 683 CB GLN A 71 16.343 -3.938 -16.512 1.00 3.21 C ATOM 684 CG GLN A 71 17.009 -3.865 -15.141 1.00 3.35 C ATOM 685 CD GLN A 71 16.991 -5.182 -14.390 1.00 65.22 C ATOM 686 OE1 GLN A 71 16.097 -5.443 -13.585 1.00 64.04 O ATOM 687 NE2 GLN A 71 17.956 -6.035 -14.674 1.00 71.14 N ATOM 0 H GLN A 71 15.842 -6.398 -17.027 1.00 0.10 H new ATOM 0 HA GLN A 71 14.430 -4.271 -15.597 1.00 53.15 H new ATOM 0 HB2 GLN A 71 16.985 -4.507 -17.184 1.00 3.21 H new ATOM 0 HB3 GLN A 71 16.268 -2.930 -16.920 1.00 3.21 H new ATOM 0 HG2 GLN A 71 18.042 -3.540 -15.264 1.00 3.35 H new ATOM 0 HG3 GLN A 71 16.506 -3.107 -14.541 1.00 3.35 H new ATOM 0 HE21 GLN A 71 18.679 -5.781 -15.347 1.00 71.14 H new ATOM 0 HE22 GLN A 71 17.979 -6.948 -14.221 1.00 71.14 H new ATOM 696 N GLY A 72 14.140 -4.862 -18.784 1.00 64.12 N ATOM 697 CA GLY A 72 13.340 -4.523 -19.948 1.00 51.31 C ATOM 698 C GLY A 72 14.147 -4.450 -21.234 1.00 13.13 C ATOM 699 O GLY A 72 13.750 -3.780 -22.188 1.00 2.05 O ATOM 0 H GLY A 72 14.678 -5.724 -18.871 1.00 64.12 H new ATOM 0 HA2 GLY A 72 12.550 -5.265 -20.065 1.00 51.31 H new ATOM 0 HA3 GLY A 72 12.853 -3.563 -19.778 1.00 51.31 H new ATOM 703 N ARG A 73 15.293 -5.112 -21.259 1.00 41.42 N ATOM 704 CA ARG A 73 16.107 -5.179 -22.469 1.00 62.24 C ATOM 705 C ARG A 73 15.863 -6.499 -23.195 1.00 2.33 C ATOM 706 O ARG A 73 15.253 -7.412 -22.641 1.00 20.34 O ATOM 707 CB ARG A 73 17.599 -5.033 -22.133 1.00 23.51 C ATOM 708 CG ARG A 73 17.909 -3.928 -21.128 1.00 74.52 C ATOM 709 CD ARG A 73 17.207 -2.625 -21.475 1.00 73.10 C ATOM 710 NE ARG A 73 17.679 -2.045 -22.731 1.00 15.13 N ATOM 711 CZ ARG A 73 16.868 -1.619 -23.698 1.00 13.44 C ATOM 712 NH1 ARG A 73 15.559 -1.817 -23.602 1.00 11.14 N ATOM 713 NH2 ARG A 73 17.362 -1.004 -24.767 1.00 61.33 N ATOM 0 H ARG A 73 15.682 -5.610 -20.459 1.00 41.42 H new ATOM 0 HA ARG A 73 15.818 -4.354 -23.120 1.00 62.24 H new ATOM 0 HB2 ARG A 73 17.965 -5.981 -21.738 1.00 23.51 H new ATOM 0 HB3 ARG A 73 18.150 -4.837 -23.053 1.00 23.51 H new ATOM 0 HG2 ARG A 73 17.605 -4.249 -20.132 1.00 74.52 H new ATOM 0 HG3 ARG A 73 18.986 -3.761 -21.094 1.00 74.52 H new ATOM 0 HD2 ARG A 73 16.134 -2.803 -21.543 1.00 73.10 H new ATOM 0 HD3 ARG A 73 17.361 -1.908 -20.668 1.00 73.10 H new ATOM 0 HE ARG A 73 18.685 -1.962 -22.875 1.00 15.13 H new ATOM 0 HH11 ARG A 73 15.174 -2.295 -22.788 1.00 11.14 H new ATOM 0 HH12 ARG A 73 14.938 -1.491 -24.343 1.00 11.14 H new ATOM 0 HH21 ARG A 73 18.368 -0.856 -24.851 1.00 61.33 H new ATOM 0 HH22 ARG A 73 16.736 -0.680 -25.504 1.00 61.33 H new ATOM 727 N GLU A 74 16.325 -6.595 -24.432 1.00 74.30 N ATOM 728 CA GLU A 74 16.185 -7.825 -25.206 1.00 41.42 C ATOM 729 C GLU A 74 17.233 -8.851 -24.766 1.00 64.54 C ATOM 730 O GLU A 74 18.435 -8.565 -24.789 1.00 22.35 O ATOM 731 CB GLU A 74 16.333 -7.526 -26.702 1.00 0.31 C ATOM 732 CG GLU A 74 15.319 -6.522 -27.237 1.00 34.33 C ATOM 733 CD GLU A 74 15.676 -6.012 -28.621 1.00 40.40 C ATOM 734 OE1 GLU A 74 16.649 -5.236 -28.740 1.00 55.25 O ATOM 735 OE2 GLU A 74 14.997 -6.387 -29.604 1.00 65.13 O ATOM 0 H GLU A 74 16.800 -5.838 -24.924 1.00 74.30 H new ATOM 0 HA GLU A 74 15.193 -8.241 -25.027 1.00 41.42 H new ATOM 0 HB2 GLU A 74 17.338 -7.147 -26.888 1.00 0.31 H new ATOM 0 HB3 GLU A 74 16.235 -8.458 -27.260 1.00 0.31 H new ATOM 0 HG2 GLU A 74 14.334 -6.988 -27.269 1.00 34.33 H new ATOM 0 HG3 GLU A 74 15.251 -5.679 -26.550 1.00 34.33 H new ATOM 742 N THR A 75 16.778 -10.032 -24.358 1.00 12.30 N ATOM 743 CA THR A 75 17.675 -11.092 -23.910 1.00 41.54 C ATOM 744 C THR A 75 18.361 -11.768 -25.094 1.00 32.40 C ATOM 745 O THR A 75 18.052 -11.473 -26.247 1.00 51.44 O ATOM 746 CB THR A 75 16.916 -12.151 -23.088 1.00 64.45 C ATOM 747 OG1 THR A 75 15.671 -12.466 -23.722 1.00 73.34 O ATOM 748 CG2 THR A 75 16.662 -11.666 -21.671 1.00 40.21 C ATOM 0 H THR A 75 15.789 -10.280 -24.328 1.00 12.30 H new ATOM 0 HA THR A 75 18.432 -10.627 -23.278 1.00 41.54 H new ATOM 0 HB THR A 75 17.535 -13.047 -23.039 1.00 64.45 H new ATOM 0 HG1 THR A 75 15.085 -12.923 -23.083 1.00 73.34 H new ATOM 0 HG21 THR A 75 16.125 -12.434 -21.114 1.00 40.21 H new ATOM 0 HG22 THR A 75 17.614 -11.461 -21.181 1.00 40.21 H new ATOM 0 HG23 THR A 75 16.065 -10.754 -21.700 1.00 40.21 H new ATOM 756 N ALA A 76 19.282 -12.684 -24.808 1.00 73.43 N ATOM 757 CA ALA A 76 20.037 -13.366 -25.854 1.00 11.44 C ATOM 758 C ALA A 76 19.117 -14.159 -26.776 1.00 73.34 C ATOM 759 O ALA A 76 19.166 -14.005 -27.999 1.00 42.33 O ATOM 760 CB ALA A 76 21.085 -14.279 -25.240 1.00 73.34 C ATOM 0 H ALA A 76 19.523 -12.971 -23.859 1.00 73.43 H new ATOM 0 HA ALA A 76 20.538 -12.606 -26.454 1.00 11.44 H new ATOM 0 HB1 ALA A 76 21.640 -14.781 -26.033 1.00 73.34 H new ATOM 0 HB2 ALA A 76 21.772 -13.688 -24.634 1.00 73.34 H new ATOM 0 HB3 ALA A 76 20.596 -15.024 -24.612 1.00 73.34 H new ATOM 766 N CYS A 77 18.266 -14.994 -26.186 1.00 4.53 N ATOM 767 CA CYS A 77 17.318 -15.788 -26.960 1.00 50.51 C ATOM 768 C CYS A 77 16.336 -14.891 -27.698 1.00 24.34 C ATOM 769 O CYS A 77 16.110 -15.062 -28.895 1.00 22.30 O ATOM 770 CB CYS A 77 16.568 -16.785 -26.061 1.00 31.53 C ATOM 771 SG CYS A 77 16.081 -16.125 -24.428 1.00 43.30 S ATOM 0 H CYS A 77 18.214 -15.138 -25.178 1.00 4.53 H new ATOM 0 HA CYS A 77 17.884 -16.357 -27.698 1.00 50.51 H new ATOM 0 HB2 CYS A 77 15.672 -17.122 -26.583 1.00 31.53 H new ATOM 0 HB3 CYS A 77 17.198 -17.662 -25.910 1.00 31.53 H new ATOM 776 N ALA A 78 15.782 -13.918 -26.988 1.00 13.45 N ATOM 777 CA ALA A 78 14.814 -12.999 -27.569 1.00 73.43 C ATOM 778 C ALA A 78 15.403 -12.211 -28.729 1.00 73.34 C ATOM 779 O ALA A 78 14.710 -11.936 -29.706 1.00 52.42 O ATOM 780 CB ALA A 78 14.292 -12.051 -26.511 1.00 55.22 C ATOM 0 H ALA A 78 15.988 -13.745 -26.004 1.00 13.45 H new ATOM 0 HA ALA A 78 13.990 -13.597 -27.960 1.00 73.43 H new ATOM 0 HB1 ALA A 78 13.569 -11.369 -26.958 1.00 55.22 H new ATOM 0 HB2 ALA A 78 13.810 -12.622 -25.717 1.00 55.22 H new ATOM 0 HB3 ALA A 78 15.121 -11.479 -26.094 1.00 55.22 H new ATOM 786 N LYS A 79 16.686 -11.884 -28.654 1.00 51.25 N ATOM 787 CA LYS A 79 17.297 -11.045 -29.670 1.00 54.41 C ATOM 788 C LYS A 79 17.601 -11.886 -30.896 1.00 14.44 C ATOM 789 O LYS A 79 17.568 -11.400 -32.026 1.00 32.02 O ATOM 790 CB LYS A 79 18.573 -10.381 -29.145 1.00 11.23 C ATOM 791 CG LYS A 79 19.080 -9.257 -30.037 1.00 33.20 C ATOM 792 CD LYS A 79 18.025 -8.174 -30.199 1.00 71.31 C ATOM 793 CE LYS A 79 18.497 -7.049 -31.106 1.00 24.42 C ATOM 794 NZ LYS A 79 17.453 -6.004 -31.270 1.00 25.04 N ATOM 0 H LYS A 79 17.315 -12.184 -27.909 1.00 51.25 H new ATOM 0 HA LYS A 79 16.600 -10.251 -29.937 1.00 54.41 H new ATOM 0 HB2 LYS A 79 18.384 -9.986 -28.147 1.00 11.23 H new ATOM 0 HB3 LYS A 79 19.353 -11.136 -29.046 1.00 11.23 H new ATOM 0 HG2 LYS A 79 19.985 -8.827 -29.608 1.00 33.20 H new ATOM 0 HG3 LYS A 79 19.349 -9.657 -31.015 1.00 33.20 H new ATOM 0 HD2 LYS A 79 17.115 -8.613 -30.609 1.00 71.31 H new ATOM 0 HD3 LYS A 79 17.770 -7.768 -29.220 1.00 71.31 H new ATOM 0 HE2 LYS A 79 19.400 -6.600 -30.691 1.00 24.42 H new ATOM 0 HE3 LYS A 79 18.763 -7.455 -32.082 1.00 24.42 H new ATOM 0 HZ1 LYS A 79 17.738 -5.343 -32.021 1.00 25.04 H new ATOM 0 HZ2 LYS A 79 16.551 -6.452 -31.528 1.00 25.04 H new ATOM 0 HZ3 LYS A 79 17.339 -5.484 -30.377 1.00 25.04 H new ATOM 808 N GLY A 80 17.878 -13.162 -30.663 1.00 25.22 N ATOM 809 CA GLY A 80 18.047 -14.090 -31.757 1.00 60.05 C ATOM 810 C GLY A 80 16.751 -14.237 -32.516 1.00 50.13 C ATOM 811 O GLY A 80 16.730 -14.161 -33.741 1.00 61.21 O ATOM 0 H GLY A 80 17.988 -13.569 -29.734 1.00 25.22 H new ATOM 0 HA2 GLY A 80 18.831 -13.737 -32.426 1.00 60.05 H new ATOM 0 HA3 GLY A 80 18.366 -15.060 -31.376 1.00 60.05 H new ATOM 815 N ILE A 81 15.672 -14.453 -31.770 1.00 23.41 N ATOM 816 CA ILE A 81 14.320 -14.440 -32.321 1.00 52.23 C ATOM 817 C ILE A 81 14.072 -13.172 -33.145 1.00 62.32 C ATOM 818 O ILE A 81 13.623 -13.253 -34.292 1.00 61.44 O ATOM 819 CB ILE A 81 13.275 -14.535 -31.184 1.00 62.11 C ATOM 820 CG1 ILE A 81 13.499 -15.810 -30.368 1.00 44.52 C ATOM 821 CG2 ILE A 81 11.858 -14.505 -31.738 1.00 24.03 C ATOM 822 CD1 ILE A 81 12.667 -15.879 -29.106 1.00 41.43 C ATOM 0 H ILE A 81 15.709 -14.642 -30.768 1.00 23.41 H new ATOM 0 HA ILE A 81 14.219 -15.305 -32.977 1.00 52.23 H new ATOM 0 HB ILE A 81 13.401 -13.670 -30.533 1.00 62.11 H new ATOM 0 HG12 ILE A 81 13.270 -16.674 -30.991 1.00 44.52 H new ATOM 0 HG13 ILE A 81 14.554 -15.880 -30.102 1.00 44.52 H new ATOM 0 HG21 ILE A 81 11.145 -14.573 -30.917 1.00 24.03 H new ATOM 0 HG22 ILE A 81 11.699 -13.573 -32.280 1.00 24.03 H new ATOM 0 HG23 ILE A 81 11.714 -15.347 -32.415 1.00 24.03 H new ATOM 0 HD11 ILE A 81 12.879 -16.810 -28.581 1.00 41.43 H new ATOM 0 HD12 ILE A 81 12.912 -15.035 -28.462 1.00 41.43 H new ATOM 0 HD13 ILE A 81 11.609 -15.842 -29.365 1.00 41.43 H new ATOM 834 N ARG A 82 14.358 -12.007 -32.558 1.00 61.21 N ATOM 835 CA ARG A 82 14.263 -10.727 -33.269 1.00 63.12 C ATOM 836 C ARG A 82 14.951 -10.780 -34.630 1.00 14.24 C ATOM 837 O ARG A 82 14.342 -10.466 -35.655 1.00 11.51 O ATOM 838 CB ARG A 82 14.900 -9.608 -32.433 1.00 53.52 C ATOM 839 CG ARG A 82 14.225 -9.378 -31.092 1.00 10.00 C ATOM 840 CD ARG A 82 12.890 -8.676 -31.244 1.00 75.00 C ATOM 841 NE ARG A 82 13.053 -7.251 -31.529 1.00 43.11 N ATOM 842 CZ ARG A 82 12.288 -6.557 -32.375 1.00 20.44 C ATOM 843 NH1 ARG A 82 11.296 -7.151 -33.030 1.00 33.35 N ATOM 844 NH2 ARG A 82 12.515 -5.263 -32.562 1.00 33.25 N ATOM 0 H ARG A 82 14.659 -11.923 -31.587 1.00 61.21 H new ATOM 0 HA ARG A 82 13.204 -10.524 -33.425 1.00 63.12 H new ATOM 0 HB2 ARG A 82 15.950 -9.848 -32.263 1.00 53.52 H new ATOM 0 HB3 ARG A 82 14.873 -8.681 -33.005 1.00 53.52 H new ATOM 0 HG2 ARG A 82 14.077 -10.335 -30.591 1.00 10.00 H new ATOM 0 HG3 ARG A 82 14.878 -8.782 -30.454 1.00 10.00 H new ATOM 0 HD2 ARG A 82 12.323 -9.145 -32.048 1.00 75.00 H new ATOM 0 HD3 ARG A 82 12.309 -8.799 -30.330 1.00 75.00 H new ATOM 0 HE ARG A 82 13.802 -6.753 -31.049 1.00 43.11 H new ATOM 0 HH11 ARG A 82 11.114 -8.145 -32.888 1.00 33.35 H new ATOM 0 HH12 ARG A 82 10.716 -6.613 -33.674 1.00 33.35 H new ATOM 0 HH21 ARG A 82 13.273 -4.800 -32.060 1.00 33.25 H new ATOM 0 HH22 ARG A 82 11.932 -4.731 -33.208 1.00 33.25 H new ATOM 858 N GLU A 83 16.214 -11.183 -34.640 1.00 14.20 N ATOM 859 CA GLU A 83 16.997 -11.190 -35.867 1.00 35.53 C ATOM 860 C GLU A 83 16.555 -12.310 -36.810 1.00 51.34 C ATOM 861 O GLU A 83 16.626 -12.168 -38.031 1.00 53.04 O ATOM 862 CB GLU A 83 18.488 -11.318 -35.550 1.00 42.23 C ATOM 863 CG GLU A 83 19.006 -10.237 -34.608 1.00 3.24 C ATOM 864 CD GLU A 83 18.609 -8.837 -35.041 1.00 71.33 C ATOM 865 OE1 GLU A 83 19.062 -8.394 -36.119 1.00 44.40 O ATOM 866 OE2 GLU A 83 17.830 -8.187 -34.315 1.00 33.43 O ATOM 0 H GLU A 83 16.717 -11.508 -33.814 1.00 14.20 H new ATOM 0 HA GLU A 83 16.824 -10.241 -36.374 1.00 35.53 H new ATOM 0 HB2 GLU A 83 18.674 -12.296 -35.105 1.00 42.23 H new ATOM 0 HB3 GLU A 83 19.054 -11.279 -36.481 1.00 42.23 H new ATOM 0 HG2 GLU A 83 18.624 -10.423 -33.604 1.00 3.24 H new ATOM 0 HG3 GLU A 83 20.093 -10.300 -34.553 1.00 3.24 H new ATOM 873 N LYS A 84 16.098 -13.416 -36.241 1.00 44.31 N ATOM 874 CA LYS A 84 15.639 -14.555 -37.029 1.00 23.45 C ATOM 875 C LYS A 84 14.378 -14.232 -37.810 1.00 65.21 C ATOM 876 O LYS A 84 14.344 -14.334 -39.037 1.00 3.41 O ATOM 877 CB LYS A 84 15.316 -15.735 -36.115 1.00 30.04 C ATOM 878 CG LYS A 84 16.440 -16.731 -35.915 1.00 41.03 C ATOM 879 CD LYS A 84 15.926 -17.933 -35.138 1.00 5.12 C ATOM 880 CE LYS A 84 16.909 -19.089 -35.126 1.00 41.14 C ATOM 881 NZ LYS A 84 16.289 -20.310 -34.549 1.00 42.34 N ATOM 0 H LYS A 84 16.034 -13.551 -35.232 1.00 44.31 H new ATOM 0 HA LYS A 84 16.445 -14.800 -37.721 1.00 23.45 H new ATOM 0 HB2 LYS A 84 15.020 -15.347 -35.140 1.00 30.04 H new ATOM 0 HB3 LYS A 84 14.454 -16.263 -36.523 1.00 30.04 H new ATOM 0 HG2 LYS A 84 16.832 -17.050 -36.881 1.00 41.03 H new ATOM 0 HG3 LYS A 84 17.263 -16.262 -35.376 1.00 41.03 H new ATOM 0 HD2 LYS A 84 15.713 -17.633 -34.112 1.00 5.12 H new ATOM 0 HD3 LYS A 84 14.985 -18.267 -35.575 1.00 5.12 H new ATOM 0 HE2 LYS A 84 17.247 -19.294 -36.142 1.00 41.14 H new ATOM 0 HE3 LYS A 84 17.790 -18.816 -34.546 1.00 41.14 H new ATOM 0 HZ1 LYS A 84 16.952 -21.107 -34.629 1.00 42.34 H new ATOM 0 HZ2 LYS A 84 16.066 -20.145 -33.547 1.00 42.34 H new ATOM 0 HZ3 LYS A 84 15.415 -20.533 -35.066 1.00 42.34 H new ATOM 895 N TYR A 85 13.353 -13.805 -37.093 1.00 54.42 N ATOM 896 CA TYR A 85 12.010 -13.754 -37.649 1.00 4.21 C ATOM 897 C TYR A 85 11.588 -12.336 -37.984 1.00 31.54 C ATOM 898 O TYR A 85 10.397 -12.038 -38.051 1.00 15.52 O ATOM 899 CB TYR A 85 11.017 -14.377 -36.671 1.00 41.55 C ATOM 900 CG TYR A 85 11.459 -15.721 -36.138 1.00 11.30 C ATOM 901 CD1 TYR A 85 11.529 -16.839 -36.960 1.00 44.00 C ATOM 902 CD2 TYR A 85 11.821 -15.863 -34.809 1.00 61.01 C ATOM 903 CE1 TYR A 85 11.943 -18.062 -36.465 1.00 72.45 C ATOM 904 CE2 TYR A 85 12.236 -17.079 -34.306 1.00 32.20 C ATOM 905 CZ TYR A 85 12.297 -18.175 -35.137 1.00 74.33 C ATOM 906 OH TYR A 85 12.711 -19.387 -34.636 1.00 15.13 O ATOM 0 H TYR A 85 13.424 -13.489 -36.126 1.00 54.42 H new ATOM 0 HA TYR A 85 12.016 -14.324 -38.578 1.00 4.21 H new ATOM 0 HB2 TYR A 85 10.866 -13.695 -35.834 1.00 41.55 H new ATOM 0 HB3 TYR A 85 10.053 -14.491 -37.167 1.00 41.55 H new ATOM 0 HD1 TYR A 85 11.256 -16.752 -38.001 1.00 44.00 H new ATOM 0 HD2 TYR A 85 11.778 -15.006 -34.154 1.00 61.01 H new ATOM 0 HE1 TYR A 85 11.989 -18.924 -37.115 1.00 72.45 H new ATOM 0 HE2 TYR A 85 12.512 -17.171 -33.266 1.00 32.20 H new ATOM 0 HH TYR A 85 13.391 -19.771 -35.228 1.00 15.13 H new ATOM 916 N LYS A 86 12.560 -11.463 -38.203 1.00 72.22 N ATOM 917 CA LYS A 86 12.252 -10.109 -38.631 1.00 61.41 C ATOM 918 C LYS A 86 11.644 -10.154 -40.029 1.00 20.12 C ATOM 919 O LYS A 86 12.033 -10.990 -40.853 1.00 34.14 O ATOM 920 CB LYS A 86 13.508 -9.221 -38.623 1.00 52.13 C ATOM 921 CG LYS A 86 14.339 -9.300 -39.900 1.00 73.22 C ATOM 922 CD LYS A 86 15.682 -8.591 -39.752 1.00 44.32 C ATOM 923 CE LYS A 86 16.450 -9.071 -38.528 1.00 12.14 C ATOM 924 NZ LYS A 86 17.817 -8.487 -38.452 1.00 34.21 N ATOM 0 H LYS A 86 13.554 -11.664 -38.093 1.00 72.22 H new ATOM 0 HA LYS A 86 11.538 -9.674 -37.932 1.00 61.41 H new ATOM 0 HB2 LYS A 86 13.206 -8.186 -38.463 1.00 52.13 H new ATOM 0 HB3 LYS A 86 14.134 -9.505 -37.777 1.00 52.13 H new ATOM 0 HG2 LYS A 86 14.507 -10.345 -40.159 1.00 73.22 H new ATOM 0 HG3 LYS A 86 13.782 -8.853 -40.723 1.00 73.22 H new ATOM 0 HD2 LYS A 86 16.282 -8.761 -40.646 1.00 44.32 H new ATOM 0 HD3 LYS A 86 15.518 -7.516 -39.678 1.00 44.32 H new ATOM 0 HE2 LYS A 86 15.895 -8.808 -37.628 1.00 12.14 H new ATOM 0 HE3 LYS A 86 16.523 -10.158 -38.551 1.00 12.14 H new ATOM 0 HZ1 LYS A 86 18.312 -8.869 -37.621 1.00 34.21 H new ATOM 0 HZ2 LYS A 86 18.347 -8.730 -39.313 1.00 34.21 H new ATOM 0 HZ3 LYS A 86 17.748 -7.453 -38.368 1.00 34.21 H new ATOM 938 N PRO A 87 10.656 -9.294 -40.295 1.00 51.41 N ATOM 939 CA PRO A 87 10.073 -9.156 -41.621 1.00 2.40 C ATOM 940 C PRO A 87 10.903 -8.219 -42.493 1.00 2.00 C ATOM 941 O PRO A 87 12.075 -7.968 -42.208 1.00 23.43 O ATOM 942 CB PRO A 87 8.699 -8.555 -41.322 1.00 25.23 C ATOM 943 CG PRO A 87 8.905 -7.731 -40.095 1.00 35.32 C ATOM 944 CD PRO A 87 10.015 -8.393 -39.315 1.00 12.42 C ATOM 0 HA PRO A 87 10.025 -10.095 -42.172 1.00 2.40 H new ATOM 0 HB2 PRO A 87 8.344 -7.946 -42.153 1.00 25.23 H new ATOM 0 HB3 PRO A 87 7.954 -9.333 -41.156 1.00 25.23 H new ATOM 0 HG2 PRO A 87 9.172 -6.707 -40.356 1.00 35.32 H new ATOM 0 HG3 PRO A 87 7.991 -7.682 -39.503 1.00 35.32 H new ATOM 0 HD2 PRO A 87 10.721 -7.660 -38.926 1.00 12.42 H new ATOM 0 HD3 PRO A 87 9.626 -8.946 -38.460 1.00 12.42 H new ATOM 952 N ALA A 88 10.300 -7.712 -43.552 1.00 33.50 N ATOM 953 CA ALA A 88 10.963 -6.736 -44.400 1.00 64.51 C ATOM 954 C ALA A 88 11.063 -5.399 -43.682 1.00 1.55 C ATOM 955 O ALA A 88 10.145 -4.579 -43.738 1.00 42.44 O ATOM 956 CB ALA A 88 10.217 -6.576 -45.717 1.00 53.54 C ATOM 0 H ALA A 88 9.355 -7.958 -43.846 1.00 33.50 H new ATOM 0 HA ALA A 88 11.970 -7.093 -44.618 1.00 64.51 H new ATOM 0 HB1 ALA A 88 10.729 -5.841 -46.338 1.00 53.54 H new ATOM 0 HB2 ALA A 88 10.188 -7.533 -46.237 1.00 53.54 H new ATOM 0 HB3 ALA A 88 9.199 -6.239 -45.520 1.00 53.54 H new ATOM 962 N VAL A 89 12.178 -5.203 -42.994 1.00 13.22 N ATOM 963 CA VAL A 89 12.465 -3.966 -42.280 1.00 34.20 C ATOM 964 C VAL A 89 13.971 -3.796 -42.154 1.00 33.32 C ATOM 965 O VAL A 89 14.692 -4.763 -41.906 1.00 51.15 O ATOM 966 CB VAL A 89 11.831 -3.927 -40.865 1.00 52.10 C ATOM 967 CG1 VAL A 89 10.368 -3.508 -40.921 1.00 21.03 C ATOM 968 CG2 VAL A 89 11.968 -5.274 -40.174 1.00 60.33 C ATOM 0 H VAL A 89 12.915 -5.903 -42.914 1.00 13.22 H new ATOM 0 HA VAL A 89 12.026 -3.152 -42.857 1.00 34.20 H new ATOM 0 HB VAL A 89 12.373 -3.180 -40.285 1.00 52.10 H new ATOM 0 HG11 VAL A 89 9.955 -3.491 -39.912 1.00 21.03 H new ATOM 0 HG12 VAL A 89 10.291 -2.514 -41.361 1.00 21.03 H new ATOM 0 HG13 VAL A 89 9.809 -4.219 -41.530 1.00 21.03 H new ATOM 0 HG21 VAL A 89 11.516 -5.222 -39.183 1.00 60.33 H new ATOM 0 HG22 VAL A 89 11.463 -6.039 -40.764 1.00 60.33 H new ATOM 0 HG23 VAL A 89 13.024 -5.528 -40.079 1.00 60.33 H new ATOM 978 N VAL A 90 14.443 -2.578 -42.333 1.00 5.21 N ATOM 979 CA VAL A 90 15.870 -2.312 -42.309 1.00 24.44 C ATOM 980 C VAL A 90 16.354 -1.968 -40.902 1.00 24.01 C ATOM 981 O VAL A 90 15.856 -1.035 -40.267 1.00 4.35 O ATOM 982 CB VAL A 90 16.253 -1.191 -43.300 1.00 64.42 C ATOM 983 CG1 VAL A 90 16.307 -1.741 -44.717 1.00 3.30 C ATOM 984 CG2 VAL A 90 15.263 -0.035 -43.226 1.00 11.23 C ATOM 0 H VAL A 90 13.861 -1.757 -42.497 1.00 5.21 H new ATOM 0 HA VAL A 90 16.369 -3.229 -42.623 1.00 24.44 H new ATOM 0 HB VAL A 90 17.238 -0.815 -43.024 1.00 64.42 H new ATOM 0 HG11 VAL A 90 16.578 -0.942 -45.407 1.00 3.30 H new ATOM 0 HG12 VAL A 90 17.052 -2.535 -44.771 1.00 3.30 H new ATOM 0 HG13 VAL A 90 15.330 -2.140 -44.990 1.00 3.30 H new ATOM 0 HG21 VAL A 90 15.556 0.741 -43.934 1.00 11.23 H new ATOM 0 HG22 VAL A 90 14.264 -0.395 -43.474 1.00 11.23 H new ATOM 0 HG23 VAL A 90 15.260 0.377 -42.217 1.00 11.23 H new ATOM 994 N TYR A 91 17.309 -2.752 -40.416 1.00 51.21 N ATOM 995 CA TYR A 91 17.905 -2.534 -39.104 1.00 32.52 C ATOM 996 C TYR A 91 19.376 -2.181 -39.244 1.00 22.13 C ATOM 997 O TYR A 91 19.957 -2.312 -40.323 1.00 11.45 O ATOM 998 CB TYR A 91 17.790 -3.788 -38.232 1.00 15.55 C ATOM 999 CG TYR A 91 16.404 -4.077 -37.706 1.00 53.20 C ATOM 1000 CD1 TYR A 91 15.938 -3.451 -36.558 1.00 54.14 C ATOM 1001 CD2 TYR A 91 15.574 -4.990 -38.339 1.00 74.43 C ATOM 1002 CE1 TYR A 91 14.682 -3.722 -36.056 1.00 72.25 C ATOM 1003 CE2 TYR A 91 14.314 -5.266 -37.846 1.00 61.34 C ATOM 1004 CZ TYR A 91 13.873 -4.630 -36.704 1.00 32.40 C ATOM 1005 OH TYR A 91 12.620 -4.907 -36.212 1.00 42.31 O ATOM 0 H TYR A 91 17.691 -3.554 -40.918 1.00 51.21 H new ATOM 0 HA TYR A 91 17.365 -1.713 -38.632 1.00 32.52 H new ATOM 0 HB2 TYR A 91 18.128 -4.647 -38.811 1.00 15.55 H new ATOM 0 HB3 TYR A 91 18.469 -3.687 -37.386 1.00 15.55 H new ATOM 0 HD1 TYR A 91 16.570 -2.739 -36.049 1.00 54.14 H new ATOM 0 HD2 TYR A 91 15.918 -5.493 -39.231 1.00 74.43 H new ATOM 0 HE1 TYR A 91 14.335 -3.226 -35.161 1.00 72.25 H new ATOM 0 HE2 TYR A 91 13.677 -5.976 -38.352 1.00 61.34 H new ATOM 0 HH TYR A 91 12.181 -5.567 -36.788 1.00 42.31 H new ATOM 1015 N GLY A 92 19.970 -1.741 -38.147 1.00 52.11 N ATOM 1016 CA GLY A 92 21.393 -1.500 -38.124 1.00 11.12 C ATOM 1017 C GLY A 92 22.151 -2.752 -37.733 1.00 23.31 C ATOM 1018 O GLY A 92 21.552 -3.715 -37.251 1.00 21.14 O ATOM 0 H GLY A 92 19.488 -1.546 -37.269 1.00 52.11 H new ATOM 0 HA2 GLY A 92 21.724 -1.162 -39.106 1.00 11.12 H new ATOM 0 HA3 GLY A 92 21.618 -0.700 -37.419 1.00 11.12 H new ATOM 1022 N TYR A 93 23.466 -2.741 -37.920 1.00 64.34 N ATOM 1023 CA TYR A 93 24.293 -3.906 -37.609 1.00 44.13 C ATOM 1024 C TYR A 93 24.326 -4.196 -36.107 1.00 53.10 C ATOM 1025 O TYR A 93 24.773 -5.262 -35.680 1.00 40.50 O ATOM 1026 CB TYR A 93 25.717 -3.716 -38.148 1.00 41.13 C ATOM 1027 CG TYR A 93 26.404 -2.444 -37.689 1.00 20.35 C ATOM 1028 CD1 TYR A 93 27.086 -2.393 -36.478 1.00 33.32 C ATOM 1029 CD2 TYR A 93 26.380 -1.297 -38.475 1.00 34.05 C ATOM 1030 CE1 TYR A 93 27.719 -1.236 -36.063 1.00 62.54 C ATOM 1031 CE2 TYR A 93 27.014 -0.139 -38.067 1.00 40.23 C ATOM 1032 CZ TYR A 93 27.682 -0.113 -36.860 1.00 0.11 C ATOM 1033 OH TYR A 93 28.320 1.037 -36.453 1.00 61.23 O ATOM 0 H TYR A 93 23.983 -1.941 -38.285 1.00 64.34 H new ATOM 0 HA TYR A 93 23.841 -4.767 -38.101 1.00 44.13 H new ATOM 0 HB2 TYR A 93 26.323 -4.570 -37.844 1.00 41.13 H new ATOM 0 HB3 TYR A 93 25.682 -3.721 -39.237 1.00 41.13 H new ATOM 0 HD1 TYR A 93 27.122 -3.272 -35.851 1.00 33.32 H new ATOM 0 HD2 TYR A 93 25.857 -1.312 -39.420 1.00 34.05 H new ATOM 0 HE1 TYR A 93 28.241 -1.213 -35.118 1.00 62.54 H new ATOM 0 HE2 TYR A 93 26.987 0.742 -38.691 1.00 40.23 H new ATOM 0 HH TYR A 93 28.198 1.735 -37.130 1.00 61.23 H new ATOM 1043 N ASP A 94 23.848 -3.247 -35.314 1.00 53.11 N ATOM 1044 CA ASP A 94 23.790 -3.409 -33.866 1.00 21.11 C ATOM 1045 C ASP A 94 22.484 -4.086 -33.447 1.00 64.22 C ATOM 1046 O ASP A 94 22.366 -4.608 -32.340 1.00 53.44 O ATOM 1047 CB ASP A 94 23.920 -2.047 -33.181 1.00 74.34 C ATOM 1048 CG ASP A 94 23.804 -2.137 -31.673 1.00 42.24 C ATOM 1049 OD1 ASP A 94 24.763 -2.599 -31.020 1.00 12.00 O ATOM 1050 OD2 ASP A 94 22.756 -1.740 -31.129 1.00 23.12 O ATOM 0 H ASP A 94 23.493 -2.352 -35.650 1.00 53.11 H new ATOM 0 HA ASP A 94 24.620 -4.045 -33.557 1.00 21.11 H new ATOM 0 HB2 ASP A 94 24.881 -1.604 -33.441 1.00 74.34 H new ATOM 0 HB3 ASP A 94 23.148 -1.378 -33.561 1.00 74.34 H new ATOM 1055 N GLY A 95 21.513 -4.099 -34.350 1.00 50.22 N ATOM 1056 CA GLY A 95 20.223 -4.689 -34.042 1.00 62.33 C ATOM 1057 C GLY A 95 19.205 -3.659 -33.597 1.00 42.42 C ATOM 1058 O GLY A 95 18.169 -4.005 -33.028 1.00 21.14 O ATOM 0 H GLY A 95 21.594 -3.712 -35.290 1.00 50.22 H new ATOM 0 HA2 GLY A 95 19.846 -5.211 -34.922 1.00 62.33 H new ATOM 0 HA3 GLY A 95 20.347 -5.435 -33.257 1.00 62.33 H new ATOM 1062 N LYS A 96 19.510 -2.391 -33.839 1.00 51.43 N ATOM 1063 CA LYS A 96 18.584 -1.304 -33.539 1.00 61.03 C ATOM 1064 C LYS A 96 17.800 -0.920 -34.790 1.00 13.43 C ATOM 1065 O LYS A 96 18.310 -1.047 -35.907 1.00 32.04 O ATOM 1066 CB LYS A 96 19.337 -0.082 -33.005 1.00 4.10 C ATOM 1067 CG LYS A 96 19.833 -0.231 -31.575 1.00 51.20 C ATOM 1068 CD LYS A 96 20.634 0.991 -31.150 1.00 34.14 C ATOM 1069 CE LYS A 96 20.953 0.987 -29.661 1.00 73.30 C ATOM 1070 NZ LYS A 96 21.674 -0.239 -29.236 1.00 52.11 N ATOM 0 H LYS A 96 20.396 -2.088 -34.244 1.00 51.43 H new ATOM 0 HA LYS A 96 17.890 -1.649 -32.772 1.00 61.03 H new ATOM 0 HB2 LYS A 96 20.189 0.118 -33.654 1.00 4.10 H new ATOM 0 HB3 LYS A 96 18.682 0.788 -33.062 1.00 4.10 H new ATOM 0 HG2 LYS A 96 18.985 -0.367 -30.904 1.00 51.20 H new ATOM 0 HG3 LYS A 96 20.452 -1.124 -31.491 1.00 51.20 H new ATOM 0 HD2 LYS A 96 21.564 1.028 -31.718 1.00 34.14 H new ATOM 0 HD3 LYS A 96 20.074 1.893 -31.396 1.00 34.14 H new ATOM 0 HE2 LYS A 96 21.557 1.862 -29.420 1.00 73.30 H new ATOM 0 HE3 LYS A 96 20.026 1.074 -29.094 1.00 73.30 H new ATOM 0 HZ1 LYS A 96 22.524 0.027 -28.698 1.00 52.11 H new ATOM 0 HZ2 LYS A 96 21.052 -0.817 -28.636 1.00 52.11 H new ATOM 0 HZ3 LYS A 96 21.953 -0.786 -30.075 1.00 52.11 H new ATOM 1084 N PRO A 97 16.550 -0.455 -34.621 1.00 74.34 N ATOM 1085 CA PRO A 97 15.684 -0.060 -35.734 1.00 3.22 C ATOM 1086 C PRO A 97 16.101 1.268 -36.361 1.00 75.22 C ATOM 1087 O PRO A 97 15.499 2.312 -36.100 1.00 12.02 O ATOM 1088 CB PRO A 97 14.287 0.062 -35.100 1.00 61.54 C ATOM 1089 CG PRO A 97 14.426 -0.460 -33.707 1.00 15.20 C ATOM 1090 CD PRO A 97 15.869 -0.290 -33.334 1.00 54.44 C ATOM 0 HA PRO A 97 15.730 -0.785 -36.546 1.00 3.22 H new ATOM 0 HB2 PRO A 97 13.948 1.098 -35.098 1.00 61.54 H new ATOM 0 HB3 PRO A 97 13.551 -0.513 -35.662 1.00 61.54 H new ATOM 0 HG2 PRO A 97 13.780 0.088 -33.021 1.00 15.20 H new ATOM 0 HG3 PRO A 97 14.132 -1.508 -33.654 1.00 15.20 H new ATOM 0 HD2 PRO A 97 16.062 0.689 -32.895 1.00 54.44 H new ATOM 0 HD3 PRO A 97 16.191 -1.035 -32.606 1.00 54.44 H new ATOM 1098 N LEU A 98 17.154 1.220 -37.160 1.00 64.04 N ATOM 1099 CA LEU A 98 17.624 2.380 -37.900 1.00 70.25 C ATOM 1100 C LEU A 98 18.200 1.934 -39.235 1.00 74.23 C ATOM 1101 O LEU A 98 18.783 0.853 -39.332 1.00 12.12 O ATOM 1102 CB LEU A 98 18.657 3.171 -37.077 1.00 14.14 C ATOM 1103 CG LEU A 98 19.893 2.392 -36.595 1.00 52.35 C ATOM 1104 CD1 LEU A 98 20.982 2.372 -37.659 1.00 53.12 C ATOM 1105 CD2 LEU A 98 20.428 2.993 -35.303 1.00 31.42 C ATOM 0 H LEU A 98 17.707 0.377 -37.314 1.00 64.04 H new ATOM 0 HA LEU A 98 16.784 3.048 -38.092 1.00 70.25 H new ATOM 0 HB2 LEU A 98 18.998 4.014 -37.678 1.00 14.14 H new ATOM 0 HB3 LEU A 98 18.153 3.585 -36.204 1.00 14.14 H new ATOM 0 HG LEU A 98 19.588 1.363 -36.406 1.00 52.35 H new ATOM 0 HD11 LEU A 98 21.842 1.814 -37.289 1.00 53.12 H new ATOM 0 HD12 LEU A 98 20.600 1.894 -38.561 1.00 53.12 H new ATOM 0 HD13 LEU A 98 21.284 3.394 -37.890 1.00 53.12 H new ATOM 0 HD21 LEU A 98 21.302 2.431 -34.975 1.00 31.42 H new ATOM 0 HD22 LEU A 98 20.708 4.032 -35.474 1.00 31.42 H new ATOM 0 HD23 LEU A 98 19.657 2.947 -34.534 1.00 31.42 H new ATOM 1117 N ASP A 99 18.031 2.747 -40.263 1.00 51.11 N ATOM 1118 CA ASP A 99 18.505 2.387 -41.592 1.00 42.21 C ATOM 1119 C ASP A 99 19.738 3.196 -41.966 1.00 45.52 C ATOM 1120 O ASP A 99 20.203 4.023 -41.179 1.00 53.14 O ATOM 1121 CB ASP A 99 17.409 2.569 -42.644 1.00 15.03 C ATOM 1122 CG ASP A 99 17.085 4.018 -42.944 1.00 60.52 C ATOM 1123 OD1 ASP A 99 16.209 4.594 -42.269 1.00 22.52 O ATOM 1124 OD2 ASP A 99 17.666 4.574 -43.895 1.00 34.44 O ATOM 0 H ASP A 99 17.572 3.656 -40.206 1.00 51.11 H new ATOM 0 HA ASP A 99 18.777 1.332 -41.568 1.00 42.21 H new ATOM 0 HB2 ASP A 99 17.718 2.077 -43.566 1.00 15.03 H new ATOM 0 HB3 ASP A 99 16.504 2.067 -42.303 1.00 15.03 H new ATOM 1129 N LEU A 100 20.285 2.906 -43.154 1.00 0.25 N ATOM 1130 CA LEU A 100 21.493 3.562 -43.680 1.00 21.32 C ATOM 1131 C LEU A 100 22.761 3.039 -43.013 1.00 32.45 C ATOM 1132 O LEU A 100 23.809 2.973 -43.651 1.00 40.11 O ATOM 1133 CB LEU A 100 21.424 5.091 -43.544 1.00 10.14 C ATOM 1134 CG LEU A 100 20.447 5.786 -44.491 1.00 51.23 C ATOM 1135 CD1 LEU A 100 20.397 7.275 -44.198 1.00 60.34 C ATOM 1136 CD2 LEU A 100 20.849 5.541 -45.937 1.00 42.13 C ATOM 0 H LEU A 100 19.899 2.203 -43.784 1.00 0.25 H new ATOM 0 HA LEU A 100 21.534 3.314 -44.741 1.00 21.32 H new ATOM 0 HB2 LEU A 100 21.147 5.336 -42.519 1.00 10.14 H new ATOM 0 HB3 LEU A 100 22.420 5.500 -43.712 1.00 10.14 H new ATOM 0 HG LEU A 100 19.452 5.369 -44.333 1.00 51.23 H new ATOM 0 HD11 LEU A 100 19.697 7.757 -44.880 1.00 60.34 H new ATOM 0 HD12 LEU A 100 20.069 7.433 -43.171 1.00 60.34 H new ATOM 0 HD13 LEU A 100 21.389 7.706 -44.332 1.00 60.34 H new ATOM 0 HD21 LEU A 100 20.144 6.042 -46.600 1.00 42.13 H new ATOM 0 HD22 LEU A 100 21.851 5.935 -46.108 1.00 42.13 H new ATOM 0 HD23 LEU A 100 20.841 4.470 -46.141 1.00 42.13 H new ATOM 1148 N GLY A 101 22.652 2.641 -41.749 1.00 53.03 N ATOM 1149 CA GLY A 101 23.809 2.199 -40.983 1.00 13.13 C ATOM 1150 C GLY A 101 24.592 1.071 -41.639 1.00 74.54 C ATOM 1151 O GLY A 101 25.785 0.919 -41.396 1.00 23.43 O ATOM 0 H GLY A 101 21.772 2.616 -41.234 1.00 53.03 H new ATOM 0 HA2 GLY A 101 24.475 3.048 -40.828 1.00 13.13 H new ATOM 0 HA3 GLY A 101 23.476 1.871 -39.998 1.00 13.13 H new ATOM 1155 N PHE A 102 23.922 0.270 -42.458 1.00 43.02 N ATOM 1156 CA PHE A 102 24.572 -0.851 -43.126 1.00 63.34 C ATOM 1157 C PHE A 102 24.874 -0.531 -44.594 1.00 34.52 C ATOM 1158 O PHE A 102 25.408 -1.368 -45.321 1.00 11.32 O ATOM 1159 CB PHE A 102 23.709 -2.118 -43.017 1.00 45.30 C ATOM 1160 CG PHE A 102 22.388 -2.042 -43.739 1.00 21.43 C ATOM 1161 CD1 PHE A 102 21.340 -1.287 -43.233 1.00 74.02 C ATOM 1162 CD2 PHE A 102 22.194 -2.741 -44.922 1.00 4.31 C ATOM 1163 CE1 PHE A 102 20.127 -1.229 -43.894 1.00 13.52 C ATOM 1164 CE2 PHE A 102 20.983 -2.687 -45.585 1.00 73.30 C ATOM 1165 CZ PHE A 102 19.949 -1.930 -45.072 1.00 2.22 C ATOM 0 H PHE A 102 22.931 0.375 -42.675 1.00 43.02 H new ATOM 0 HA PHE A 102 25.522 -1.031 -42.623 1.00 63.34 H new ATOM 0 HB2 PHE A 102 24.275 -2.962 -43.411 1.00 45.30 H new ATOM 0 HB3 PHE A 102 23.521 -2.324 -41.963 1.00 45.30 H new ATOM 0 HD1 PHE A 102 21.473 -0.738 -42.312 1.00 74.02 H new ATOM 0 HD2 PHE A 102 22.999 -3.334 -45.329 1.00 4.31 H new ATOM 0 HE1 PHE A 102 19.319 -0.637 -43.490 1.00 13.52 H new ATOM 0 HE2 PHE A 102 20.845 -3.237 -46.504 1.00 73.30 H new ATOM 0 HZ PHE A 102 19.002 -1.885 -45.590 1.00 2.22 H new ATOM 1175 N CYS A 103 24.538 0.680 -45.024 1.00 62.25 N ATOM 1176 CA CYS A 103 24.721 1.070 -46.420 1.00 34.41 C ATOM 1177 C CYS A 103 25.779 2.157 -46.558 1.00 53.21 C ATOM 1178 O CYS A 103 26.472 2.236 -47.574 1.00 14.02 O ATOM 1179 CB CYS A 103 23.400 1.566 -47.012 1.00 31.30 C ATOM 1180 SG CYS A 103 22.045 0.353 -46.940 1.00 3.34 S ATOM 0 H CYS A 103 24.139 1.407 -44.430 1.00 62.25 H new ATOM 0 HA CYS A 103 25.057 0.189 -46.967 1.00 34.41 H new ATOM 0 HB2 CYS A 103 23.093 2.468 -46.482 1.00 31.30 H new ATOM 0 HB3 CYS A 103 23.565 1.848 -48.052 1.00 31.30 H new ATOM 1185 N THR A 104 25.912 2.981 -45.524 1.00 44.04 N ATOM 1186 CA THR A 104 26.791 4.143 -45.559 1.00 45.55 C ATOM 1187 C THR A 104 28.261 3.756 -45.719 1.00 51.05 C ATOM 1188 O THR A 104 29.096 4.590 -46.073 1.00 35.54 O ATOM 1189 CB THR A 104 26.621 4.982 -44.279 1.00 41.33 C ATOM 1190 OG1 THR A 104 26.655 4.125 -43.131 1.00 54.42 O ATOM 1191 CG2 THR A 104 25.309 5.750 -44.302 1.00 51.41 C ATOM 0 H THR A 104 25.415 2.862 -44.641 1.00 44.04 H new ATOM 0 HA THR A 104 26.503 4.730 -46.431 1.00 45.55 H new ATOM 0 HB THR A 104 27.440 5.699 -44.228 1.00 41.33 H new ATOM 0 HG1 THR A 104 26.548 4.662 -42.318 1.00 54.42 H new ATOM 0 HG21 THR A 104 25.213 6.334 -43.387 1.00 51.41 H new ATOM 0 HG22 THR A 104 25.294 6.419 -45.163 1.00 51.41 H new ATOM 0 HG23 THR A 104 24.478 5.048 -44.373 1.00 51.41 H new ATOM 1199 N LEU A 105 28.568 2.487 -45.480 1.00 55.11 N ATOM 1200 CA LEU A 105 29.938 1.999 -45.568 1.00 4.32 C ATOM 1201 C LEU A 105 30.410 1.974 -47.019 1.00 4.21 C ATOM 1202 O LEU A 105 31.606 2.052 -47.293 1.00 61.24 O ATOM 1203 CB LEU A 105 30.069 0.591 -44.961 1.00 5.52 C ATOM 1204 CG LEU A 105 29.665 0.437 -43.487 1.00 24.41 C ATOM 1205 CD1 LEU A 105 30.092 1.643 -42.665 1.00 43.14 C ATOM 1206 CD2 LEU A 105 28.172 0.190 -43.353 1.00 34.42 C ATOM 0 H LEU A 105 27.884 1.775 -45.223 1.00 55.11 H new ATOM 0 HA LEU A 105 30.565 2.684 -44.998 1.00 4.32 H new ATOM 0 HB2 LEU A 105 29.462 -0.093 -45.554 1.00 5.52 H new ATOM 0 HB3 LEU A 105 31.105 0.270 -45.065 1.00 5.52 H new ATOM 0 HG LEU A 105 30.188 -0.434 -43.093 1.00 24.41 H new ATOM 0 HD11 LEU A 105 29.791 1.501 -41.627 1.00 43.14 H new ATOM 0 HD12 LEU A 105 31.175 1.753 -42.716 1.00 43.14 H new ATOM 0 HD13 LEU A 105 29.617 2.540 -43.061 1.00 43.14 H new ATOM 0 HD21 LEU A 105 27.914 0.085 -42.299 1.00 34.42 H new ATOM 0 HD22 LEU A 105 27.624 1.031 -43.779 1.00 34.42 H new ATOM 0 HD23 LEU A 105 27.905 -0.723 -43.885 1.00 34.42 H new ATOM 1218 N ALA A 106 29.463 1.885 -47.946 1.00 24.24 N ATOM 1219 CA ALA A 106 29.788 1.808 -49.364 1.00 72.41 C ATOM 1220 C ALA A 106 29.871 3.199 -49.987 1.00 14.31 C ATOM 1221 O ALA A 106 30.146 3.346 -51.180 1.00 4.41 O ATOM 1222 CB ALA A 106 28.757 0.960 -50.092 1.00 55.32 C ATOM 0 H ALA A 106 28.464 1.864 -47.740 1.00 24.24 H new ATOM 0 HA ALA A 106 30.767 1.338 -49.464 1.00 72.41 H new ATOM 0 HB1 ALA A 106 29.010 0.909 -51.151 1.00 55.32 H new ATOM 0 HB2 ALA A 106 28.751 -0.046 -49.672 1.00 55.32 H new ATOM 0 HB3 ALA A 106 27.770 1.408 -49.976 1.00 55.32 H new ATOM 1228 N GLY A 107 29.630 4.218 -49.174 1.00 21.55 N ATOM 1229 CA GLY A 107 29.695 5.581 -49.657 1.00 45.23 C ATOM 1230 C GLY A 107 28.512 5.930 -50.529 1.00 34.51 C ATOM 1231 O GLY A 107 27.374 5.685 -50.154 1.00 24.32 O ATOM 0 H GLY A 107 29.390 4.124 -48.187 1.00 21.55 H new ATOM 0 HA2 GLY A 107 29.734 6.265 -48.809 1.00 45.23 H new ATOM 0 HA3 GLY A 107 30.616 5.722 -50.223 1.00 45.23 H new ATOM 1235 N ILE A 108 28.793 6.473 -51.707 1.00 40.23 N ATOM 1236 CA ILE A 108 27.758 6.900 -52.654 1.00 3.14 C ATOM 1237 C ILE A 108 26.732 5.792 -52.934 1.00 15.42 C ATOM 1238 O ILE A 108 25.568 6.071 -53.222 1.00 13.51 O ATOM 1239 CB ILE A 108 28.399 7.374 -53.984 1.00 1.15 C ATOM 1240 CG1 ILE A 108 27.323 7.823 -54.982 1.00 70.20 C ATOM 1241 CG2 ILE A 108 29.265 6.272 -54.585 1.00 44.31 C ATOM 1242 CD1 ILE A 108 27.881 8.366 -56.283 1.00 43.12 C ATOM 0 H ILE A 108 29.745 6.632 -52.038 1.00 40.23 H new ATOM 0 HA ILE A 108 27.227 7.732 -52.190 1.00 3.14 H new ATOM 0 HB ILE A 108 29.036 8.231 -53.766 1.00 1.15 H new ATOM 0 HG12 ILE A 108 26.670 6.978 -55.202 1.00 70.20 H new ATOM 0 HG13 ILE A 108 26.705 8.590 -54.515 1.00 70.20 H new ATOM 0 HG21 ILE A 108 29.706 6.624 -55.518 1.00 44.31 H new ATOM 0 HG22 ILE A 108 30.058 6.010 -53.885 1.00 44.31 H new ATOM 0 HG23 ILE A 108 28.651 5.394 -54.783 1.00 44.31 H new ATOM 0 HD11 ILE A 108 27.060 8.662 -56.936 1.00 43.12 H new ATOM 0 HD12 ILE A 108 28.510 9.232 -56.076 1.00 43.12 H new ATOM 0 HD13 ILE A 108 28.475 7.595 -56.774 1.00 43.12 H new ATOM 1254 N ARG A 109 27.155 4.538 -52.827 1.00 33.20 N ATOM 1255 CA ARG A 109 26.287 3.411 -53.159 1.00 24.14 C ATOM 1256 C ARG A 109 25.207 3.186 -52.093 1.00 43.34 C ATOM 1257 O ARG A 109 24.326 2.342 -52.268 1.00 74.24 O ATOM 1258 CB ARG A 109 27.112 2.134 -53.348 1.00 53.05 C ATOM 1259 CG ARG A 109 28.289 2.286 -54.306 1.00 73.10 C ATOM 1260 CD ARG A 109 27.877 2.909 -55.634 1.00 52.33 C ATOM 1261 NE ARG A 109 26.833 2.144 -56.311 1.00 42.05 N ATOM 1262 CZ ARG A 109 25.676 2.667 -56.710 1.00 5.41 C ATOM 1263 NH1 ARG A 109 25.424 3.957 -56.512 1.00 4.42 N ATOM 1264 NH2 ARG A 109 24.778 1.909 -57.320 1.00 41.12 N ATOM 0 H ARG A 109 28.090 4.275 -52.514 1.00 33.20 H new ATOM 0 HA ARG A 109 25.785 3.656 -54.095 1.00 24.14 H new ATOM 0 HB2 ARG A 109 27.488 1.811 -52.377 1.00 53.05 H new ATOM 0 HB3 ARG A 109 26.458 1.344 -53.716 1.00 53.05 H new ATOM 0 HG2 ARG A 109 29.056 2.904 -53.840 1.00 73.10 H new ATOM 0 HG3 ARG A 109 28.735 1.308 -54.489 1.00 73.10 H new ATOM 0 HD2 ARG A 109 27.524 3.925 -55.461 1.00 52.33 H new ATOM 0 HD3 ARG A 109 28.749 2.981 -56.284 1.00 52.33 H new ATOM 0 HE ARG A 109 27.000 1.153 -56.488 1.00 42.05 H new ATOM 0 HH11 ARG A 109 26.118 4.548 -56.054 1.00 4.42 H new ATOM 0 HH12 ARG A 109 24.537 4.356 -56.818 1.00 4.42 H new ATOM 0 HH21 ARG A 109 24.972 0.921 -57.485 1.00 41.12 H new ATOM 0 HH22 ARG A 109 23.892 2.313 -57.625 1.00 41.12 H new ATOM 1278 N GLU A 110 25.267 3.947 -50.999 1.00 1.42 N ATOM 1279 CA GLU A 110 24.283 3.827 -49.924 1.00 65.14 C ATOM 1280 C GLU A 110 22.882 4.183 -50.417 1.00 63.43 C ATOM 1281 O GLU A 110 21.888 3.632 -49.939 1.00 1.12 O ATOM 1282 CB GLU A 110 24.660 4.714 -48.730 1.00 14.44 C ATOM 1283 CG GLU A 110 24.684 6.201 -49.041 1.00 53.21 C ATOM 1284 CD GLU A 110 25.050 7.046 -47.840 1.00 21.14 C ATOM 1285 OE1 GLU A 110 26.188 6.929 -47.339 1.00 11.13 O ATOM 1286 OE2 GLU A 110 24.195 7.836 -47.383 1.00 42.11 O ATOM 0 H GLU A 110 25.986 4.652 -50.835 1.00 1.42 H new ATOM 0 HA GLU A 110 24.281 2.787 -49.598 1.00 65.14 H new ATOM 0 HB2 GLU A 110 23.952 4.535 -47.921 1.00 14.44 H new ATOM 0 HB3 GLU A 110 25.643 4.415 -48.365 1.00 14.44 H new ATOM 0 HG2 GLU A 110 25.399 6.388 -49.843 1.00 53.21 H new ATOM 0 HG3 GLU A 110 23.705 6.506 -49.409 1.00 53.21 H new ATOM 1293 N VAL A 111 22.822 5.106 -51.373 1.00 31.21 N ATOM 1294 CA VAL A 111 21.559 5.570 -51.938 1.00 43.02 C ATOM 1295 C VAL A 111 20.740 4.398 -52.476 1.00 12.22 C ATOM 1296 O VAL A 111 19.573 4.226 -52.119 1.00 11.43 O ATOM 1297 CB VAL A 111 21.807 6.589 -53.070 1.00 33.25 C ATOM 1298 CG1 VAL A 111 20.494 7.132 -53.614 1.00 12.31 C ATOM 1299 CG2 VAL A 111 22.691 7.730 -52.584 1.00 62.00 C ATOM 0 H VAL A 111 23.646 5.552 -51.777 1.00 31.21 H new ATOM 0 HA VAL A 111 20.999 6.056 -51.139 1.00 43.02 H new ATOM 0 HB VAL A 111 22.323 6.071 -53.878 1.00 33.25 H new ATOM 0 HG11 VAL A 111 20.698 7.848 -54.410 1.00 12.31 H new ATOM 0 HG12 VAL A 111 19.896 6.311 -54.009 1.00 12.31 H new ATOM 0 HG13 VAL A 111 19.945 7.627 -52.813 1.00 12.31 H new ATOM 0 HG21 VAL A 111 22.853 8.437 -53.398 1.00 62.00 H new ATOM 0 HG22 VAL A 111 22.203 8.239 -51.753 1.00 62.00 H new ATOM 0 HG23 VAL A 111 23.650 7.332 -52.253 1.00 62.00 H new ATOM 1309 N ASP A 112 21.366 3.584 -53.318 1.00 32.44 N ATOM 1310 CA ASP A 112 20.706 2.414 -53.885 1.00 30.34 C ATOM 1311 C ASP A 112 20.402 1.389 -52.801 1.00 61.43 C ATOM 1312 O ASP A 112 19.312 0.823 -52.761 1.00 21.45 O ATOM 1313 CB ASP A 112 21.570 1.767 -54.971 1.00 55.23 C ATOM 1314 CG ASP A 112 21.541 2.524 -56.283 1.00 54.34 C ATOM 1315 OD1 ASP A 112 20.587 2.325 -57.067 1.00 21.00 O ATOM 1316 OD2 ASP A 112 22.478 3.300 -56.547 1.00 44.13 O ATOM 0 H ASP A 112 22.331 3.713 -53.623 1.00 32.44 H new ATOM 0 HA ASP A 112 19.771 2.750 -54.333 1.00 30.34 H new ATOM 0 HB2 ASP A 112 22.599 1.703 -54.618 1.00 55.23 H new ATOM 0 HB3 ASP A 112 21.227 0.746 -55.140 1.00 55.23 H new ATOM 1321 N CYS A 113 21.374 1.162 -51.926 1.00 44.24 N ATOM 1322 CA CYS A 113 21.233 0.197 -50.838 1.00 42.52 C ATOM 1323 C CYS A 113 19.973 0.442 -50.001 1.00 33.34 C ATOM 1324 O CYS A 113 19.285 -0.505 -49.628 1.00 22.01 O ATOM 1325 CB CYS A 113 22.475 0.247 -49.943 1.00 51.22 C ATOM 1326 SG CYS A 113 22.418 -0.879 -48.510 1.00 71.41 S ATOM 0 H CYS A 113 22.277 1.637 -51.948 1.00 44.24 H new ATOM 0 HA CYS A 113 21.134 -0.792 -51.285 1.00 42.52 H new ATOM 0 HB2 CYS A 113 23.351 0.005 -50.545 1.00 51.22 H new ATOM 0 HB3 CYS A 113 22.607 1.267 -49.583 1.00 51.22 H new ATOM 1331 N ARG A 114 19.647 1.699 -49.736 1.00 4.02 N ATOM 1332 CA ARG A 114 18.492 2.009 -48.899 1.00 52.40 C ATOM 1333 C ARG A 114 17.201 1.569 -49.596 1.00 44.02 C ATOM 1334 O ARG A 114 16.334 0.936 -48.990 1.00 64.33 O ATOM 1335 CB ARG A 114 18.452 3.512 -48.591 1.00 0.53 C ATOM 1336 CG ARG A 114 17.869 3.857 -47.222 1.00 43.15 C ATOM 1337 CD ARG A 114 16.374 3.576 -47.125 1.00 24.34 C ATOM 1338 NE ARG A 114 15.850 3.889 -45.795 1.00 42.41 N ATOM 1339 CZ ARG A 114 14.585 3.687 -45.407 1.00 11.32 C ATOM 1340 NH1 ARG A 114 13.696 3.163 -46.237 1.00 40.13 N ATOM 1341 NH2 ARG A 114 14.213 4.000 -44.172 1.00 71.44 N ATOM 0 H ARG A 114 20.156 2.512 -50.082 1.00 4.02 H new ATOM 0 HA ARG A 114 18.580 1.464 -47.959 1.00 52.40 H new ATOM 0 HB2 ARG A 114 19.465 3.911 -48.653 1.00 0.53 H new ATOM 0 HB3 ARG A 114 17.864 4.013 -49.360 1.00 0.53 H new ATOM 0 HG2 ARG A 114 18.391 3.284 -46.456 1.00 43.15 H new ATOM 0 HG3 ARG A 114 18.050 4.911 -47.011 1.00 43.15 H new ATOM 0 HD2 ARG A 114 15.844 4.165 -47.873 1.00 24.34 H new ATOM 0 HD3 ARG A 114 16.185 2.527 -47.353 1.00 24.34 H new ATOM 0 HE ARG A 114 16.495 4.290 -45.115 1.00 42.41 H new ATOM 0 HH11 ARG A 114 13.972 2.908 -47.185 1.00 40.13 H new ATOM 0 HH12 ARG A 114 12.735 3.015 -45.928 1.00 40.13 H new ATOM 0 HH21 ARG A 114 14.891 4.394 -43.520 1.00 71.44 H new ATOM 0 HH22 ARG A 114 13.249 3.846 -43.875 1.00 71.44 H new ATOM 1355 N LYS A 115 17.100 1.889 -50.878 1.00 52.32 N ATOM 1356 CA LYS A 115 15.896 1.613 -51.660 1.00 22.31 C ATOM 1357 C LYS A 115 15.779 0.133 -52.015 1.00 33.24 C ATOM 1358 O LYS A 115 14.757 -0.504 -51.766 1.00 20.13 O ATOM 1359 CB LYS A 115 15.931 2.421 -52.955 1.00 43.14 C ATOM 1360 CG LYS A 115 16.071 3.920 -52.747 1.00 13.14 C ATOM 1361 CD LYS A 115 16.432 4.619 -54.045 1.00 3.14 C ATOM 1362 CE LYS A 115 16.575 6.123 -53.858 1.00 11.10 C ATOM 1363 NZ LYS A 115 15.263 6.788 -53.637 1.00 65.32 N ATOM 0 H LYS A 115 17.844 2.345 -51.406 1.00 52.32 H new ATOM 0 HA LYS A 115 15.037 1.894 -51.051 1.00 22.31 H new ATOM 0 HB2 LYS A 115 16.762 2.071 -53.567 1.00 43.14 H new ATOM 0 HB3 LYS A 115 15.017 2.227 -53.517 1.00 43.14 H new ATOM 0 HG2 LYS A 115 15.136 4.326 -52.359 1.00 13.14 H new ATOM 0 HG3 LYS A 115 16.839 4.117 -51.998 1.00 13.14 H new ATOM 0 HD2 LYS A 115 17.366 4.210 -54.430 1.00 3.14 H new ATOM 0 HD3 LYS A 115 15.664 4.417 -54.792 1.00 3.14 H new ATOM 0 HE2 LYS A 115 17.229 6.321 -53.009 1.00 11.10 H new ATOM 0 HE3 LYS A 115 17.055 6.553 -54.737 1.00 11.10 H new ATOM 0 HZ1 LYS A 115 15.403 7.816 -53.566 1.00 65.32 H new ATOM 0 HZ2 LYS A 115 14.629 6.579 -54.435 1.00 65.32 H new ATOM 0 HZ3 LYS A 115 14.839 6.434 -52.756 1.00 65.32 H new ATOM 1377 N ASP A 116 16.842 -0.396 -52.595 1.00 34.43 N ATOM 1378 CA ASP A 116 16.804 -1.715 -53.220 1.00 3.32 C ATOM 1379 C ASP A 116 16.919 -2.853 -52.214 1.00 24.22 C ATOM 1380 O ASP A 116 16.197 -3.840 -52.315 1.00 12.14 O ATOM 1381 CB ASP A 116 17.882 -1.843 -54.297 1.00 43.12 C ATOM 1382 CG ASP A 116 17.514 -1.098 -55.566 1.00 13.34 C ATOM 1383 OD1 ASP A 116 16.799 -1.675 -56.413 1.00 12.20 O ATOM 1384 OD2 ASP A 116 17.938 0.067 -55.728 1.00 50.31 O ATOM 0 H ASP A 116 17.749 0.067 -52.648 1.00 34.43 H new ATOM 0 HA ASP A 116 15.823 -1.803 -53.687 1.00 3.32 H new ATOM 0 HB2 ASP A 116 18.826 -1.457 -53.912 1.00 43.12 H new ATOM 0 HB3 ASP A 116 18.039 -2.897 -54.528 1.00 43.12 H new ATOM 1389 N ALA A 117 17.809 -2.715 -51.238 1.00 73.34 N ATOM 1390 CA ALA A 117 18.136 -3.825 -50.340 1.00 51.02 C ATOM 1391 C ALA A 117 16.937 -4.297 -49.523 1.00 12.02 C ATOM 1392 O ALA A 117 16.859 -5.466 -49.154 1.00 23.03 O ATOM 1393 CB ALA A 117 19.281 -3.455 -49.415 1.00 54.13 C ATOM 0 H ALA A 117 18.317 -1.852 -51.046 1.00 73.34 H new ATOM 0 HA ALA A 117 18.441 -4.655 -50.978 1.00 51.02 H new ATOM 0 HB1 ALA A 117 19.505 -4.296 -48.758 1.00 54.13 H new ATOM 0 HB2 ALA A 117 20.163 -3.213 -50.007 1.00 54.13 H new ATOM 0 HB3 ALA A 117 18.999 -2.591 -48.814 1.00 54.13 H new ATOM 1399 N GLN A 118 16.002 -3.394 -49.237 1.00 50.33 N ATOM 1400 CA GLN A 118 14.849 -3.731 -48.401 1.00 32.23 C ATOM 1401 C GLN A 118 13.933 -4.771 -49.058 1.00 55.11 C ATOM 1402 O GLN A 118 13.027 -5.290 -48.409 1.00 63.24 O ATOM 1403 CB GLN A 118 14.056 -2.468 -48.031 1.00 42.11 C ATOM 1404 CG GLN A 118 13.440 -1.743 -49.219 1.00 55.00 C ATOM 1405 CD GLN A 118 11.925 -1.844 -49.265 1.00 22.53 C ATOM 1406 OE1 GLN A 118 11.381 -2.939 -48.760 1.00 20.32 O flip ATOM 1407 NE2 GLN A 118 11.251 -0.940 -49.758 1.00 24.01 N flip ATOM 0 H GLN A 118 16.018 -2.429 -49.568 1.00 50.33 H new ATOM 0 HA GLN A 118 15.240 -4.181 -47.489 1.00 32.23 H new ATOM 0 HB2 GLN A 118 13.262 -2.743 -47.337 1.00 42.11 H new ATOM 0 HB3 GLN A 118 14.717 -1.780 -47.504 1.00 42.11 H new ATOM 0 HG2 GLN A 118 13.726 -0.692 -49.182 1.00 55.00 H new ATOM 0 HG3 GLN A 118 13.853 -2.154 -50.140 1.00 55.00 H new ATOM 0 HE21 GLN A 118 11.709 -0.111 -50.137 1.00 24.01 H new ATOM 0 HE22 GLN A 118 10.235 -1.020 -49.787 1.00 24.01 H new ATOM 1416 N THR A 119 14.153 -5.065 -50.338 1.00 51.35 N ATOM 1417 CA THR A 119 13.367 -6.099 -51.011 1.00 54.43 C ATOM 1418 C THR A 119 13.859 -7.496 -50.616 1.00 35.22 C ATOM 1419 O THR A 119 13.144 -8.484 -50.756 1.00 65.14 O ATOM 1420 CB THR A 119 13.395 -5.940 -52.544 1.00 70.43 C ATOM 1421 OG1 THR A 119 14.745 -5.854 -53.013 1.00 64.42 O ATOM 1422 CG2 THR A 119 12.623 -4.703 -52.977 1.00 41.20 C ATOM 0 H THR A 119 14.856 -4.612 -50.922 1.00 51.35 H new ATOM 0 HA THR A 119 12.334 -5.980 -50.685 1.00 54.43 H new ATOM 0 HB THR A 119 12.919 -6.818 -52.980 1.00 70.43 H new ATOM 0 HG1 THR A 119 15.034 -4.918 -53.007 1.00 64.42 H new ATOM 0 HG21 THR A 119 12.658 -4.614 -54.063 1.00 41.20 H new ATOM 0 HG22 THR A 119 11.586 -4.790 -52.653 1.00 41.20 H new ATOM 0 HG23 THR A 119 13.071 -3.818 -52.526 1.00 41.20 H new ATOM 1430 N CYS A 120 15.091 -7.560 -50.117 1.00 52.13 N ATOM 1431 CA CYS A 120 15.671 -8.786 -49.551 1.00 71.53 C ATOM 1432 C CYS A 120 14.997 -9.179 -48.229 1.00 72.34 C ATOM 1433 O CYS A 120 15.692 -9.520 -47.273 1.00 11.13 O ATOM 1434 CB CYS A 120 17.175 -8.593 -49.301 1.00 50.00 C ATOM 1435 SG CYS A 120 18.258 -8.823 -50.758 1.00 53.14 S ATOM 0 H CYS A 120 15.723 -6.760 -50.092 1.00 52.13 H new ATOM 0 HA CYS A 120 15.507 -9.584 -50.275 1.00 71.53 H new ATOM 0 HB2 CYS A 120 17.333 -7.588 -48.909 1.00 50.00 H new ATOM 0 HB3 CYS A 120 17.488 -9.291 -48.525 1.00 50.00 H new ATOM 1440 N ASP A 121 13.657 -9.130 -48.180 1.00 24.24 N ATOM 1441 CA ASP A 121 12.917 -9.226 -46.915 1.00 3.32 C ATOM 1442 C ASP A 121 13.407 -10.390 -46.045 1.00 43.21 C ATOM 1443 O ASP A 121 13.919 -10.165 -44.946 1.00 20.14 O ATOM 1444 CB ASP A 121 11.406 -9.362 -47.197 1.00 43.20 C ATOM 1445 CG ASP A 121 11.018 -10.650 -47.916 1.00 3.10 C ATOM 1446 OD1 ASP A 121 11.222 -10.744 -49.143 1.00 12.33 O ATOM 1447 OD2 ASP A 121 10.518 -11.580 -47.247 1.00 51.41 O ATOM 0 H ASP A 121 13.064 -9.024 -49.003 1.00 24.24 H new ATOM 0 HA ASP A 121 13.100 -8.309 -46.356 1.00 3.32 H new ATOM 0 HB2 ASP A 121 10.865 -9.309 -46.252 1.00 43.20 H new ATOM 0 HB3 ASP A 121 11.082 -8.512 -47.797 1.00 43.20 H new ATOM 1452 N LYS A 122 13.261 -11.623 -46.518 1.00 64.53 N ATOM 1453 CA LYS A 122 13.986 -12.741 -45.946 1.00 61.41 C ATOM 1454 C LYS A 122 14.635 -13.555 -47.054 1.00 25.45 C ATOM 1455 O LYS A 122 15.854 -13.553 -47.222 1.00 65.43 O ATOM 1456 CB LYS A 122 13.060 -13.625 -45.101 1.00 75.23 C ATOM 1457 CG LYS A 122 12.309 -12.855 -44.028 1.00 43.50 C ATOM 1458 CD LYS A 122 11.644 -13.781 -43.026 1.00 22.04 C ATOM 1459 CE LYS A 122 12.660 -14.405 -42.086 1.00 52.31 C ATOM 1460 NZ LYS A 122 13.469 -13.373 -41.386 1.00 51.44 N ATOM 0 H LYS A 122 12.647 -11.869 -47.295 1.00 64.53 H new ATOM 0 HA LYS A 122 14.763 -12.350 -45.289 1.00 61.41 H new ATOM 0 HB2 LYS A 122 12.341 -14.117 -45.756 1.00 75.23 H new ATOM 0 HB3 LYS A 122 13.650 -14.411 -44.629 1.00 75.23 H new ATOM 0 HG2 LYS A 122 13.000 -12.192 -43.507 1.00 43.50 H new ATOM 0 HG3 LYS A 122 11.553 -12.224 -44.496 1.00 43.50 H new ATOM 0 HD2 LYS A 122 10.906 -13.224 -42.448 1.00 22.04 H new ATOM 0 HD3 LYS A 122 11.107 -14.567 -43.556 1.00 22.04 H new ATOM 0 HE2 LYS A 122 12.144 -15.023 -41.351 1.00 52.31 H new ATOM 0 HE3 LYS A 122 13.320 -15.064 -42.650 1.00 52.31 H new ATOM 0 HZ1 LYS A 122 13.883 -13.782 -40.524 1.00 51.44 H new ATOM 0 HZ2 LYS A 122 14.231 -13.044 -42.013 1.00 51.44 H new ATOM 0 HZ3 LYS A 122 12.860 -12.569 -41.130 1.00 51.44 H new ATOM 1474 N LYS A 123 13.788 -14.237 -47.826 1.00 62.30 N ATOM 1475 CA LYS A 123 14.236 -15.037 -48.961 1.00 62.42 C ATOM 1476 C LYS A 123 13.414 -14.722 -50.209 1.00 32.43 C ATOM 1477 O LYS A 123 13.951 -14.619 -51.308 1.00 32.35 O ATOM 1478 CB LYS A 123 14.116 -16.537 -48.656 1.00 52.41 C ATOM 1479 CG LYS A 123 14.711 -16.965 -47.322 1.00 11.21 C ATOM 1480 CD LYS A 123 16.200 -16.659 -47.225 1.00 34.11 C ATOM 1481 CE LYS A 123 17.017 -17.423 -48.257 1.00 42.14 C ATOM 1482 NZ LYS A 123 18.464 -17.106 -48.143 1.00 13.41 N ATOM 0 H LYS A 123 12.778 -14.249 -47.682 1.00 62.30 H new ATOM 0 HA LYS A 123 15.281 -14.785 -49.141 1.00 62.42 H new ATOM 0 HB2 LYS A 123 13.062 -16.814 -48.674 1.00 52.41 H new ATOM 0 HB3 LYS A 123 14.606 -17.096 -49.453 1.00 52.41 H new ATOM 0 HG2 LYS A 123 14.185 -16.457 -46.513 1.00 11.21 H new ATOM 0 HG3 LYS A 123 14.553 -18.035 -47.183 1.00 11.21 H new ATOM 0 HD2 LYS A 123 16.358 -15.589 -47.360 1.00 34.11 H new ATOM 0 HD3 LYS A 123 16.556 -16.910 -46.226 1.00 34.11 H new ATOM 0 HE2 LYS A 123 16.866 -18.494 -48.123 1.00 42.14 H new ATOM 0 HE3 LYS A 123 16.666 -17.174 -49.258 1.00 42.14 H new ATOM 0 HZ1 LYS A 123 18.994 -17.642 -48.859 1.00 13.41 H new ATOM 0 HZ2 LYS A 123 18.609 -16.087 -48.295 1.00 13.41 H new ATOM 0 HZ3 LYS A 123 18.803 -17.366 -47.195 1.00 13.41 H new ATOM 1496 N TYR A 124 12.104 -14.560 -50.010 1.00 55.42 N ATOM 1497 CA TYR A 124 11.133 -14.516 -51.105 1.00 63.41 C ATOM 1498 C TYR A 124 11.482 -13.472 -52.160 1.00 65.33 C ATOM 1499 O TYR A 124 11.805 -13.818 -53.297 1.00 45.41 O ATOM 1500 CB TYR A 124 9.731 -14.252 -50.549 1.00 75.41 C ATOM 1501 CG TYR A 124 8.641 -14.276 -51.598 1.00 70.12 C ATOM 1502 CD1 TYR A 124 8.315 -15.455 -52.259 1.00 75.13 C ATOM 1503 CD2 TYR A 124 7.941 -13.124 -51.931 1.00 21.04 C ATOM 1504 CE1 TYR A 124 7.324 -15.485 -53.219 1.00 14.21 C ATOM 1505 CE2 TYR A 124 6.945 -13.144 -52.892 1.00 54.43 C ATOM 1506 CZ TYR A 124 6.641 -14.329 -53.533 1.00 73.13 C ATOM 1507 OH TYR A 124 5.650 -14.362 -54.488 1.00 74.22 O ATOM 0 H TYR A 124 11.687 -14.456 -49.085 1.00 55.42 H new ATOM 0 HA TYR A 124 11.161 -15.488 -51.597 1.00 63.41 H new ATOM 0 HB2 TYR A 124 9.506 -14.999 -49.788 1.00 75.41 H new ATOM 0 HB3 TYR A 124 9.724 -13.281 -50.054 1.00 75.41 H new ATOM 0 HD1 TYR A 124 8.847 -16.363 -52.017 1.00 75.13 H new ATOM 0 HD2 TYR A 124 8.178 -12.196 -51.431 1.00 21.04 H new ATOM 0 HE1 TYR A 124 7.084 -16.410 -53.722 1.00 14.21 H new ATOM 0 HE2 TYR A 124 6.409 -12.239 -53.139 1.00 54.43 H new ATOM 0 HH TYR A 124 5.266 -13.467 -54.592 1.00 74.22 H new ATOM 1517 N GLU A 125 11.432 -12.201 -51.793 1.00 61.12 N ATOM 1518 CA GLU A 125 11.688 -11.142 -52.754 1.00 65.32 C ATOM 1519 C GLU A 125 13.185 -10.839 -52.806 1.00 74.15 C ATOM 1520 O GLU A 125 13.626 -9.904 -53.476 1.00 35.41 O ATOM 1521 CB GLU A 125 10.897 -9.882 -52.388 1.00 43.13 C ATOM 1522 CG GLU A 125 10.508 -9.034 -53.591 1.00 51.11 C ATOM 1523 CD GLU A 125 9.419 -9.675 -54.433 1.00 51.22 C ATOM 1524 OE1 GLU A 125 9.730 -10.561 -55.260 1.00 54.24 O ATOM 1525 OE2 GLU A 125 8.241 -9.293 -54.272 1.00 14.12 O ATOM 0 H GLU A 125 11.219 -11.881 -50.848 1.00 61.12 H new ATOM 0 HA GLU A 125 11.361 -11.474 -53.740 1.00 65.32 H new ATOM 0 HB2 GLU A 125 9.994 -10.173 -51.852 1.00 43.13 H new ATOM 0 HB3 GLU A 125 11.491 -9.276 -51.704 1.00 43.13 H new ATOM 0 HG2 GLU A 125 10.168 -8.057 -53.247 1.00 51.11 H new ATOM 0 HG3 GLU A 125 11.388 -8.865 -54.211 1.00 51.11 H new ATOM 1532 N SER A 126 13.969 -11.673 -52.126 1.00 51.22 N ATOM 1533 CA SER A 126 15.408 -11.479 -52.059 1.00 34.22 C ATOM 1534 C SER A 126 16.041 -11.853 -53.395 1.00 24.12 C ATOM 1535 O SER A 126 17.078 -11.313 -53.770 1.00 1.35 O ATOM 1536 CB SER A 126 16.012 -12.309 -50.924 1.00 53.11 C ATOM 1537 OG SER A 126 17.385 -12.005 -50.731 1.00 30.14 O ATOM 0 H SER A 126 13.628 -12.488 -51.615 1.00 51.22 H new ATOM 0 HA SER A 126 15.614 -10.429 -51.853 1.00 34.22 H new ATOM 0 HB2 SER A 126 15.463 -12.120 -50.001 1.00 53.11 H new ATOM 0 HB3 SER A 126 15.901 -13.370 -51.149 1.00 53.11 H new ATOM 0 HG SER A 126 17.510 -11.033 -50.746 1.00 30.14 H new ATOM 1543 N ASP A 127 15.404 -12.780 -54.103 1.00 30.23 N ATOM 1544 CA ASP A 127 15.821 -13.141 -55.455 1.00 63.33 C ATOM 1545 C ASP A 127 15.855 -11.907 -56.353 1.00 54.25 C ATOM 1546 O ASP A 127 16.868 -11.617 -56.992 1.00 44.11 O ATOM 1547 CB ASP A 127 14.869 -14.186 -56.041 1.00 31.44 C ATOM 1548 CG ASP A 127 15.172 -14.502 -57.495 1.00 73.13 C ATOM 1549 OD1 ASP A 127 16.118 -15.273 -57.759 1.00 12.45 O ATOM 1550 OD2 ASP A 127 14.454 -13.987 -58.377 1.00 3.12 O ATOM 0 H ASP A 127 14.594 -13.297 -53.762 1.00 30.23 H new ATOM 0 HA ASP A 127 16.825 -13.563 -55.404 1.00 63.33 H new ATOM 0 HB2 ASP A 127 14.934 -15.101 -55.453 1.00 31.44 H new ATOM 0 HB3 ASP A 127 13.844 -13.825 -55.957 1.00 31.44 H new ATOM 1555 N LYS A 128 14.753 -11.167 -56.374 1.00 24.31 N ATOM 1556 CA LYS A 128 14.666 -9.927 -57.144 1.00 20.40 C ATOM 1557 C LYS A 128 15.676 -8.920 -56.622 1.00 71.55 C ATOM 1558 O LYS A 128 16.310 -8.188 -57.387 1.00 15.45 O ATOM 1559 CB LYS A 128 13.269 -9.315 -57.021 1.00 22.11 C ATOM 1560 CG LYS A 128 12.134 -10.317 -57.111 1.00 12.23 C ATOM 1561 CD LYS A 128 11.984 -10.906 -58.503 1.00 11.21 C ATOM 1562 CE LYS A 128 10.810 -11.869 -58.554 1.00 44.34 C ATOM 1563 NZ LYS A 128 9.579 -11.258 -57.985 1.00 32.14 N ATOM 0 H LYS A 128 13.902 -11.404 -55.864 1.00 24.31 H new ATOM 0 HA LYS A 128 14.873 -10.163 -58.188 1.00 20.40 H new ATOM 0 HB2 LYS A 128 13.199 -8.790 -56.068 1.00 22.11 H new ATOM 0 HB3 LYS A 128 13.142 -8.570 -57.806 1.00 22.11 H new ATOM 0 HG2 LYS A 128 12.307 -11.122 -56.397 1.00 12.23 H new ATOM 0 HG3 LYS A 128 11.202 -9.831 -56.824 1.00 12.23 H new ATOM 0 HD2 LYS A 128 11.836 -10.106 -59.228 1.00 11.21 H new ATOM 0 HD3 LYS A 128 12.900 -11.426 -58.784 1.00 11.21 H new ATOM 0 HE2 LYS A 128 10.626 -12.166 -59.587 1.00 44.34 H new ATOM 0 HE3 LYS A 128 11.057 -12.775 -58.001 1.00 44.34 H new ATOM 0 HZ1 LYS A 128 8.758 -11.853 -58.216 1.00 32.14 H new ATOM 0 HZ2 LYS A 128 9.674 -11.184 -56.952 1.00 32.14 H new ATOM 0 HZ3 LYS A 128 9.444 -10.309 -58.389 1.00 32.14 H new ATOM 1577 N CYS A 129 15.817 -8.908 -55.306 1.00 61.41 N ATOM 1578 CA CYS A 129 16.685 -7.980 -54.612 1.00 22.11 C ATOM 1579 C CYS A 129 18.148 -8.176 -54.997 1.00 71.42 C ATOM 1580 O CYS A 129 18.821 -7.221 -55.380 1.00 63.34 O ATOM 1581 CB CYS A 129 16.488 -8.181 -53.110 1.00 55.35 C ATOM 1582 SG CYS A 129 17.702 -7.353 -52.041 1.00 60.02 S ATOM 0 H CYS A 129 15.325 -9.551 -54.686 1.00 61.41 H new ATOM 0 HA CYS A 129 16.424 -6.961 -54.896 1.00 22.11 H new ATOM 0 HB2 CYS A 129 15.493 -7.826 -52.842 1.00 55.35 H new ATOM 0 HB3 CYS A 129 16.513 -9.250 -52.898 1.00 55.35 H new ATOM 1587 N LEU A 130 18.632 -9.415 -54.931 1.00 70.35 N ATOM 1588 CA LEU A 130 20.041 -9.692 -55.192 1.00 61.34 C ATOM 1589 C LEU A 130 20.384 -9.328 -56.630 1.00 62.42 C ATOM 1590 O LEU A 130 21.456 -8.789 -56.900 1.00 43.12 O ATOM 1591 CB LEU A 130 20.393 -11.160 -54.876 1.00 31.43 C ATOM 1592 CG LEU A 130 19.755 -12.238 -55.768 1.00 71.30 C ATOM 1593 CD1 LEU A 130 20.615 -12.515 -56.996 1.00 41.14 C ATOM 1594 CD2 LEU A 130 19.540 -13.517 -54.973 1.00 71.12 C ATOM 0 H LEU A 130 18.073 -10.237 -54.701 1.00 70.35 H new ATOM 0 HA LEU A 130 20.646 -9.074 -54.529 1.00 61.34 H new ATOM 0 HB2 LEU A 130 21.476 -11.269 -54.935 1.00 31.43 H new ATOM 0 HB3 LEU A 130 20.108 -11.362 -53.844 1.00 31.43 H new ATOM 0 HG LEU A 130 18.789 -11.867 -56.111 1.00 71.30 H new ATOM 0 HD11 LEU A 130 20.139 -13.281 -57.608 1.00 41.14 H new ATOM 0 HD12 LEU A 130 20.723 -11.600 -57.579 1.00 41.14 H new ATOM 0 HD13 LEU A 130 21.599 -12.862 -56.680 1.00 41.14 H new ATOM 0 HD21 LEU A 130 19.088 -14.273 -55.615 1.00 71.12 H new ATOM 0 HD22 LEU A 130 20.499 -13.881 -54.603 1.00 71.12 H new ATOM 0 HD23 LEU A 130 18.879 -13.315 -54.130 1.00 71.12 H new ATOM 1606 N ASN A 131 19.455 -9.618 -57.542 1.00 31.03 N ATOM 1607 CA ASN A 131 19.601 -9.241 -58.946 1.00 63.13 C ATOM 1608 C ASN A 131 19.883 -7.750 -59.088 1.00 63.05 C ATOM 1609 O ASN A 131 20.668 -7.339 -59.942 1.00 73.21 O ATOM 1610 CB ASN A 131 18.348 -9.610 -59.746 1.00 65.31 C ATOM 1611 CG ASN A 131 18.367 -11.041 -60.252 1.00 13.31 C ATOM 1612 OD1 ASN A 131 18.862 -11.317 -61.344 1.00 32.43 O ATOM 1613 ND2 ASN A 131 17.822 -11.959 -59.473 1.00 62.52 N ATOM 0 H ASN A 131 18.590 -10.115 -57.331 1.00 31.03 H new ATOM 0 HA ASN A 131 20.450 -9.796 -59.346 1.00 63.13 H new ATOM 0 HB2 ASN A 131 17.468 -9.464 -59.120 1.00 65.31 H new ATOM 0 HB3 ASN A 131 18.252 -8.932 -60.594 1.00 65.31 H new ATOM 0 HD21 ASN A 131 17.802 -12.934 -59.771 1.00 62.52 H new ATOM 0 HD22 ASN A 131 17.421 -11.692 -58.574 1.00 62.52 H new ATOM 1620 N ALA A 132 19.252 -6.944 -58.248 1.00 24.33 N ATOM 1621 CA ALA A 132 19.462 -5.506 -58.281 1.00 12.01 C ATOM 1622 C ALA A 132 20.748 -5.150 -57.543 1.00 32.34 C ATOM 1623 O ALA A 132 21.619 -4.470 -58.071 1.00 32.20 O ATOM 1624 CB ALA A 132 18.275 -4.777 -57.670 1.00 64.13 C ATOM 0 H ALA A 132 18.592 -7.260 -57.537 1.00 24.33 H new ATOM 0 HA ALA A 132 19.555 -5.190 -59.320 1.00 12.01 H new ATOM 0 HB1 ALA A 132 18.451 -3.702 -57.704 1.00 64.13 H new ATOM 0 HB2 ALA A 132 17.373 -5.015 -58.233 1.00 64.13 H new ATOM 0 HB3 ALA A 132 18.149 -5.091 -56.634 1.00 64.13 H new ATOM 1630 N ILE A 133 20.839 -5.643 -56.312 1.00 72.33 N ATOM 1631 CA ILE A 133 21.963 -5.359 -55.419 1.00 12.34 C ATOM 1632 C ILE A 133 23.321 -5.632 -56.067 1.00 52.25 C ATOM 1633 O ILE A 133 24.272 -4.877 -55.852 1.00 35.44 O ATOM 1634 CB ILE A 133 21.850 -6.162 -54.101 1.00 25.22 C ATOM 1635 CG1 ILE A 133 20.615 -5.718 -53.313 1.00 55.23 C ATOM 1636 CG2 ILE A 133 23.107 -6.005 -53.251 1.00 34.24 C ATOM 1637 CD1 ILE A 133 20.608 -4.244 -52.966 1.00 55.33 C ATOM 0 H ILE A 133 20.133 -6.254 -55.901 1.00 72.33 H new ATOM 0 HA ILE A 133 21.907 -4.293 -55.201 1.00 12.34 H new ATOM 0 HB ILE A 133 21.746 -7.217 -54.356 1.00 25.22 H new ATOM 0 HG12 ILE A 133 19.722 -5.949 -53.894 1.00 55.23 H new ATOM 0 HG13 ILE A 133 20.555 -6.299 -52.392 1.00 55.23 H new ATOM 0 HG21 ILE A 133 22.999 -6.580 -52.331 1.00 34.24 H new ATOM 0 HG22 ILE A 133 23.970 -6.370 -53.807 1.00 34.24 H new ATOM 0 HG23 ILE A 133 23.251 -4.953 -53.006 1.00 34.24 H new ATOM 0 HD11 ILE A 133 19.702 -4.006 -52.408 1.00 55.33 H new ATOM 0 HD12 ILE A 133 21.481 -4.009 -52.357 1.00 55.33 H new ATOM 0 HD13 ILE A 133 20.636 -3.654 -53.882 1.00 55.33 H new ATOM 1649 N LYS A 134 23.420 -6.670 -56.887 1.00 24.12 N ATOM 1650 CA LYS A 134 24.712 -7.061 -57.431 1.00 44.33 C ATOM 1651 C LYS A 134 25.145 -6.101 -58.539 1.00 33.24 C ATOM 1652 O LYS A 134 26.324 -5.765 -58.652 1.00 3.34 O ATOM 1653 CB LYS A 134 24.671 -8.512 -57.932 1.00 13.53 C ATOM 1654 CG LYS A 134 23.686 -8.758 -59.067 1.00 33.42 C ATOM 1655 CD LYS A 134 23.205 -10.204 -59.092 1.00 74.13 C ATOM 1656 CE LYS A 134 24.338 -11.190 -59.323 1.00 55.33 C ATOM 1657 NZ LYS A 134 24.923 -11.054 -60.682 1.00 63.03 N ATOM 0 H LYS A 134 22.634 -7.248 -57.186 1.00 24.12 H new ATOM 0 HA LYS A 134 25.454 -7.004 -56.635 1.00 44.33 H new ATOM 0 HB2 LYS A 134 25.669 -8.797 -58.265 1.00 13.53 H new ATOM 0 HB3 LYS A 134 24.415 -9.165 -57.097 1.00 13.53 H new ATOM 0 HG2 LYS A 134 22.830 -8.092 -58.957 1.00 33.42 H new ATOM 0 HG3 LYS A 134 24.159 -8.515 -60.019 1.00 33.42 H new ATOM 0 HD2 LYS A 134 22.712 -10.436 -58.148 1.00 74.13 H new ATOM 0 HD3 LYS A 134 22.459 -10.322 -59.878 1.00 74.13 H new ATOM 0 HE2 LYS A 134 25.115 -11.031 -58.576 1.00 55.33 H new ATOM 0 HE3 LYS A 134 23.968 -12.206 -59.187 1.00 55.33 H new ATOM 0 HZ1 LYS A 134 25.622 -11.809 -60.836 1.00 63.03 H new ATOM 0 HZ2 LYS A 134 24.169 -11.130 -61.394 1.00 63.03 H new ATOM 0 HZ3 LYS A 134 25.389 -10.128 -60.768 1.00 63.03 H new ATOM 1671 N GLU A 135 24.186 -5.648 -59.347 1.00 44.22 N ATOM 1672 CA GLU A 135 24.480 -4.708 -60.426 1.00 4.42 C ATOM 1673 C GLU A 135 24.682 -3.292 -59.885 1.00 71.33 C ATOM 1674 O GLU A 135 25.142 -2.403 -60.602 1.00 53.32 O ATOM 1675 CB GLU A 135 23.385 -4.749 -61.506 1.00 54.25 C ATOM 1676 CG GLU A 135 21.987 -4.392 -61.018 1.00 11.44 C ATOM 1677 CD GLU A 135 21.586 -2.966 -61.341 1.00 45.52 C ATOM 1678 OE1 GLU A 135 21.008 -2.740 -62.425 1.00 45.44 O ATOM 1679 OE2 GLU A 135 21.833 -2.063 -60.519 1.00 51.03 O ATOM 0 H GLU A 135 23.204 -5.916 -59.275 1.00 44.22 H new ATOM 0 HA GLU A 135 25.416 -5.015 -60.894 1.00 4.42 H new ATOM 0 HB2 GLU A 135 23.660 -4.063 -62.307 1.00 54.25 H new ATOM 0 HB3 GLU A 135 23.359 -5.750 -61.938 1.00 54.25 H new ATOM 0 HG2 GLU A 135 21.267 -5.076 -61.468 1.00 11.44 H new ATOM 0 HG3 GLU A 135 21.937 -4.541 -59.939 1.00 11.44 H new ATOM 1686 N LYS A 136 24.350 -3.089 -58.612 1.00 51.32 N ATOM 1687 CA LYS A 136 24.576 -1.804 -57.960 1.00 13.12 C ATOM 1688 C LYS A 136 26.066 -1.586 -57.754 1.00 53.12 C ATOM 1689 O LYS A 136 26.546 -0.452 -57.736 1.00 44.31 O ATOM 1690 CB LYS A 136 23.867 -1.737 -56.603 1.00 75.33 C ATOM 1691 CG LYS A 136 22.366 -1.929 -56.677 1.00 60.32 C ATOM 1692 CD LYS A 136 21.696 -0.843 -57.497 1.00 53.44 C ATOM 1693 CE LYS A 136 20.192 -1.031 -57.519 1.00 14.25 C ATOM 1694 NZ LYS A 136 19.492 0.122 -58.141 1.00 22.31 N ATOM 0 H LYS A 136 23.925 -3.797 -58.014 1.00 51.32 H new ATOM 0 HA LYS A 136 24.169 -1.025 -58.604 1.00 13.12 H new ATOM 0 HB2 LYS A 136 24.288 -2.500 -55.948 1.00 75.33 H new ATOM 0 HB3 LYS A 136 24.076 -0.771 -56.143 1.00 75.33 H new ATOM 0 HG2 LYS A 136 22.146 -2.902 -57.115 1.00 60.32 H new ATOM 0 HG3 LYS A 136 21.950 -1.932 -55.669 1.00 60.32 H new ATOM 0 HD2 LYS A 136 21.938 0.135 -57.080 1.00 53.44 H new ATOM 0 HD3 LYS A 136 22.083 -0.860 -58.516 1.00 53.44 H new ATOM 0 HE2 LYS A 136 19.949 -1.941 -58.068 1.00 14.25 H new ATOM 0 HE3 LYS A 136 19.830 -1.167 -56.500 1.00 14.25 H new ATOM 0 HZ1 LYS A 136 18.569 0.257 -57.681 1.00 22.31 H new ATOM 0 HZ2 LYS A 136 20.066 0.981 -58.024 1.00 22.31 H new ATOM 0 HZ3 LYS A 136 19.350 -0.064 -59.154 1.00 22.31 H new ATOM 1708 N TYR A 137 26.787 -2.684 -57.587 1.00 40.32 N ATOM 1709 CA TYR A 137 28.226 -2.643 -57.385 1.00 65.41 C ATOM 1710 C TYR A 137 28.950 -3.252 -58.581 1.00 42.44 C ATOM 1711 O TYR A 137 30.018 -3.844 -58.431 1.00 15.23 O ATOM 1712 CB TYR A 137 28.599 -3.401 -56.106 1.00 25.30 C ATOM 1713 CG TYR A 137 27.940 -2.861 -54.856 1.00 52.12 C ATOM 1714 CD1 TYR A 137 28.518 -1.823 -54.136 1.00 4.11 C ATOM 1715 CD2 TYR A 137 26.740 -3.388 -54.397 1.00 22.44 C ATOM 1716 CE1 TYR A 137 27.918 -1.327 -52.995 1.00 43.10 C ATOM 1717 CE2 TYR A 137 26.133 -2.898 -53.257 1.00 20.35 C ATOM 1718 CZ TYR A 137 26.727 -1.866 -52.561 1.00 41.44 C ATOM 1719 OH TYR A 137 26.125 -1.370 -51.427 1.00 54.41 O ATOM 0 H TYR A 137 26.393 -3.625 -57.588 1.00 40.32 H new ATOM 0 HA TYR A 137 28.533 -1.602 -57.285 1.00 65.41 H new ATOM 0 HB2 TYR A 137 28.325 -4.449 -56.225 1.00 25.30 H new ATOM 0 HB3 TYR A 137 29.681 -3.366 -55.978 1.00 25.30 H new ATOM 0 HD1 TYR A 137 29.451 -1.397 -54.474 1.00 4.11 H new ATOM 0 HD2 TYR A 137 26.273 -4.196 -54.941 1.00 22.44 H new ATOM 0 HE1 TYR A 137 28.381 -0.520 -52.446 1.00 43.10 H new ATOM 0 HE2 TYR A 137 25.200 -3.320 -52.913 1.00 20.35 H new ATOM 0 HH TYR A 137 25.292 -1.858 -51.258 1.00 54.41 H new ATOM 1729 N LYS A 138 28.365 -3.099 -59.770 1.00 61.15 N ATOM 1730 CA LYS A 138 28.956 -3.633 -60.994 1.00 20.12 C ATOM 1731 C LYS A 138 30.382 -3.115 -61.179 1.00 30.30 C ATOM 1732 O LYS A 138 30.670 -1.948 -60.904 1.00 73.43 O ATOM 1733 CB LYS A 138 28.093 -3.285 -62.216 1.00 75.44 C ATOM 1734 CG LYS A 138 27.877 -1.792 -62.426 1.00 33.05 C ATOM 1735 CD LYS A 138 27.077 -1.516 -63.692 1.00 44.11 C ATOM 1736 CE LYS A 138 25.703 -2.165 -63.642 1.00 43.55 C ATOM 1737 NZ LYS A 138 24.961 -2.005 -64.920 1.00 63.12 N ATOM 0 H LYS A 138 27.481 -2.609 -59.909 1.00 61.15 H new ATOM 0 HA LYS A 138 28.995 -4.718 -60.903 1.00 20.12 H new ATOM 0 HB2 LYS A 138 28.562 -3.701 -63.108 1.00 75.44 H new ATOM 0 HB3 LYS A 138 27.122 -3.769 -62.110 1.00 75.44 H new ATOM 0 HG2 LYS A 138 27.354 -1.375 -61.566 1.00 33.05 H new ATOM 0 HG3 LYS A 138 28.842 -1.289 -62.487 1.00 33.05 H new ATOM 0 HD2 LYS A 138 26.966 -0.440 -63.825 1.00 44.11 H new ATOM 0 HD3 LYS A 138 27.625 -1.890 -64.557 1.00 44.11 H new ATOM 0 HE2 LYS A 138 25.812 -3.226 -63.417 1.00 43.55 H new ATOM 0 HE3 LYS A 138 25.124 -1.725 -62.830 1.00 43.55 H new ATOM 0 HZ1 LYS A 138 24.030 -2.462 -64.841 1.00 63.12 H new ATOM 0 HZ2 LYS A 138 24.833 -0.993 -65.123 1.00 63.12 H new ATOM 0 HZ3 LYS A 138 25.500 -2.448 -65.692 1.00 63.12 H new