USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 695 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: B 57 CYS SG : rot -124:sc= 1.03 USER MOD Set 1.2: B 59 THR OG1 : rot 135:sc= 2.29 USER MOD Set 2.1: B 39 GLN : amide:sc= -3.77! C(o=-4.2!,f=-5.8!) USER MOD Set 2.2: B 44 CYS SG : rot 180:sc= 0.168 USER MOD Set 2.3: B 46 ASN : amide:sc=-0.00718 X(o=-4.2,f=-4.3) USER MOD Set 2.4: B 49 CYS SG : rot 156:sc= -0.325 USER MOD Set 2.5: B 54 CYS SG : rot 180:sc= -0.236 USER MOD Set 3.1: A 341 ASN : amide:sc= 0 X(o=-0.045,f=-0.053) USER MOD Set 3.2: B 30 LYS NZ :NH3+ -131:sc= -0.0445 (180deg=-0.505) USER MOD Single : A 329 MET CE :methyl 174:sc= 0 (180deg=-0.00881) USER MOD Single : A 330 GLN : amide:sc= -0.299 X(o=-0.3,f=-0.32) USER MOD Single : A 336 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.29) USER MOD Single : A 337 SER OG : rot -36:sc= 0.962 USER MOD Single : A 348 ASN : amide:sc= -0.0619 K(o=-0.062,f=-1.9!) USER MOD Single : A 349 ASN :FLIP amide:sc= -1.35! C(o=-1.9!,f=-1.4!) USER MOD Single : A 354 ASN : amide:sc= -0.0683 K(o=-0.068,f=-1.8!) USER MOD Single : A 356 MET CE :methyl -179:sc= -0.1 (180deg=-0.101) USER MOD Single : A 358 SER OG : rot 78:sc= 0.00613 USER MOD Single : B 25 LYS NZ :NH3+ -155:sc= -0.0327 (180deg=-0.327) USER MOD Single : B 31 HIS : no HD1:sc= -1.98 X(o=-2,f=-1.9) USER MOD Single : B 36 TYR OH : rot 154:sc= 0.908 USER MOD Single : B 37 TYR OH : rot 129:sc= -0.379 USER MOD Single : B 38 HIS : no HD1:sc= -1.38 K(o=-1.4,f=-2.5!) USER MOD Single : B 41 THR OG1 : rot -9:sc= 0.455 USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -3.67! C(o=-3.7!,f=-10!) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 63 MET CE :methyl 179:sc= -1.67 (180deg=-1.72) USER MOD Single : B 65 ASN : amide:sc= -0.0326 K(o=-0.033,f=-1.8!) USER MOD Single : B 66 ASN :FLIP amide:sc= -0.465 F(o=-1.3!,f=-0.47) USER MOD Single : B 71 LYS NZ :NH3+ 153:sc= -0.145 (180deg=-0.818) USER MOD Single : B 76 TYR OH : rot 30:sc=-0.00901 USER MOD Single : B 77 LYS NZ :NH3+ -127:sc= -0.251 (180deg=-3.54!) USER MOD Single : B 79 ASN : amide:sc= -0.179 K(o=-0.18,f=-1.7!) USER MOD Single : B 81 LYS NZ :NH3+ 136:sc= -0.0518 (180deg=-0.565) USER MOD ----------------------------------------------------------------- ATOM 299 N ASP A 327 41.497 1.867 -6.566 1.00 0.00 N ATOM 300 CA ASP A 327 42.835 1.999 -5.996 1.00 0.00 C ATOM 301 C ASP A 327 42.755 2.212 -4.489 1.00 0.00 C ATOM 302 O ASP A 327 42.099 3.142 -4.016 1.00 0.00 O ATOM 303 CB ASP A 327 43.562 3.178 -6.644 1.00 0.00 C ATOM 304 CG ASP A 327 43.909 2.845 -8.090 1.00 0.00 C ATOM 305 OD1 ASP A 327 43.826 1.680 -8.445 1.00 0.00 O ATOM 306 OD2 ASP A 327 44.249 3.758 -8.824 1.00 0.00 O ATOM 0 HA ASP A 327 43.388 1.080 -6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 327 42.933 4.068 -6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 327 44.470 3.407 -6.087 1.00 0.00 H new ATOM 311 N VAL A 328 43.428 1.347 -3.738 1.00 0.00 N ATOM 312 CA VAL A 328 43.431 1.445 -2.282 1.00 0.00 C ATOM 313 C VAL A 328 44.153 2.718 -1.837 1.00 0.00 C ATOM 314 O VAL A 328 43.727 3.393 -0.902 1.00 0.00 O ATOM 315 CB VAL A 328 44.117 0.220 -1.676 1.00 0.00 C ATOM 316 CG1 VAL A 328 44.212 0.387 -0.160 1.00 0.00 C ATOM 317 CG2 VAL A 328 43.308 -1.036 -2.001 1.00 0.00 C ATOM 0 H VAL A 328 43.977 0.572 -4.111 1.00 0.00 H new ATOM 0 HA VAL A 328 42.399 1.485 -1.933 1.00 0.00 H new ATOM 0 HB VAL A 328 45.118 0.123 -2.095 1.00 0.00 H new ATOM 0 HG11 VAL A 328 44.701 -0.486 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 328 44.792 1.280 0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 328 43.210 0.486 0.259 1.00 0.00 H new ATOM 0 HG21 VAL A 328 43.799 -1.907 -1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 328 42.305 -0.941 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 328 43.242 -1.157 -3.082 1.00 0.00 H new ATOM 327 N MET A 329 45.249 3.039 -2.518 1.00 0.00 N ATOM 328 CA MET A 329 46.028 4.230 -2.189 1.00 0.00 C ATOM 329 C MET A 329 45.178 5.488 -2.335 1.00 0.00 C ATOM 330 O MET A 329 45.331 6.444 -1.574 1.00 0.00 O ATOM 331 CB MET A 329 47.258 4.328 -3.098 1.00 0.00 C ATOM 332 CG MET A 329 48.281 3.262 -2.693 1.00 0.00 C ATOM 333 SD MET A 329 48.981 3.686 -1.076 1.00 0.00 S ATOM 334 CE MET A 329 49.859 2.133 -0.782 1.00 0.00 C ATOM 0 H MET A 329 45.617 2.494 -3.298 1.00 0.00 H new ATOM 0 HA MET A 329 46.355 4.147 -1.152 1.00 0.00 H new ATOM 0 HB2 MET A 329 46.966 4.189 -4.139 1.00 0.00 H new ATOM 0 HB3 MET A 329 47.702 5.321 -3.021 1.00 0.00 H new ATOM 0 HG2 MET A 329 47.805 2.282 -2.650 1.00 0.00 H new ATOM 0 HG3 MET A 329 49.073 3.199 -3.440 1.00 0.00 H new ATOM 0 HE1 MET A 329 50.455 2.218 0.127 1.00 0.00 H new ATOM 0 HE2 MET A 329 49.138 1.323 -0.668 1.00 0.00 H new ATOM 0 HE3 MET A 329 50.514 1.920 -1.627 1.00 0.00 H new ATOM 344 N GLN A 330 44.283 5.481 -3.314 1.00 0.00 N ATOM 345 CA GLN A 330 43.416 6.630 -3.550 1.00 0.00 C ATOM 346 C GLN A 330 42.372 6.751 -2.442 1.00 0.00 C ATOM 347 O GLN A 330 41.519 7.639 -2.477 1.00 0.00 O ATOM 348 CB GLN A 330 42.716 6.491 -4.905 1.00 0.00 C ATOM 349 CG GLN A 330 43.755 6.498 -6.031 1.00 0.00 C ATOM 350 CD GLN A 330 44.503 7.828 -6.058 1.00 0.00 C ATOM 351 OE1 GLN A 330 43.883 8.888 -6.140 1.00 0.00 O ATOM 352 NE2 GLN A 330 45.806 7.834 -5.993 1.00 0.00 N ATOM 0 H GLN A 330 44.138 4.700 -3.953 1.00 0.00 H new ATOM 0 HA GLN A 330 44.031 7.530 -3.553 1.00 0.00 H new ATOM 0 HB2 GLN A 330 42.141 5.565 -4.934 1.00 0.00 H new ATOM 0 HB3 GLN A 330 42.010 7.309 -5.045 1.00 0.00 H new ATOM 0 HG2 GLN A 330 44.461 5.680 -5.888 1.00 0.00 H new ATOM 0 HG3 GLN A 330 43.263 6.331 -6.989 1.00 0.00 H new ATOM 0 HE21 GLN A 330 46.317 6.954 -5.925 1.00 0.00 H new ATOM 0 HE22 GLN A 330 46.313 8.719 -6.010 1.00 0.00 H new ATOM 361 N ASP A 331 42.453 5.860 -1.457 1.00 0.00 N ATOM 362 CA ASP A 331 41.520 5.880 -0.335 1.00 0.00 C ATOM 363 C ASP A 331 42.277 5.864 0.994 1.00 0.00 C ATOM 364 O ASP A 331 42.360 4.829 1.660 1.00 0.00 O ATOM 365 CB ASP A 331 40.592 4.668 -0.415 1.00 0.00 C ATOM 366 CG ASP A 331 39.824 4.700 -1.729 1.00 0.00 C ATOM 367 OD1 ASP A 331 39.882 5.717 -2.400 1.00 0.00 O ATOM 368 OD2 ASP A 331 39.193 3.709 -2.048 1.00 0.00 O ATOM 0 H ASP A 331 43.152 5.118 -1.413 1.00 0.00 H new ATOM 0 HA ASP A 331 40.930 6.795 -0.388 1.00 0.00 H new ATOM 0 HB2 ASP A 331 41.172 3.748 -0.343 1.00 0.00 H new ATOM 0 HB3 ASP A 331 39.897 4.673 0.425 1.00 0.00 H new ATOM 373 N PRO A 332 42.830 6.987 1.386 1.00 0.00 N ATOM 374 CA PRO A 332 43.593 7.106 2.664 1.00 0.00 C ATOM 375 C PRO A 332 42.747 6.710 3.872 1.00 0.00 C ATOM 376 O PRO A 332 43.264 6.197 4.862 1.00 0.00 O ATOM 377 CB PRO A 332 43.971 8.589 2.731 1.00 0.00 C ATOM 378 CG PRO A 332 43.903 9.073 1.323 1.00 0.00 C ATOM 379 CD PRO A 332 42.789 8.268 0.660 1.00 0.00 C ATOM 0 HA PRO A 332 44.457 6.442 2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 332 43.284 9.142 3.371 1.00 0.00 H new ATOM 0 HB3 PRO A 332 44.970 8.722 3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 332 43.688 10.141 1.287 1.00 0.00 H new ATOM 0 HG3 PRO A 332 44.853 8.921 0.811 1.00 0.00 H new ATOM 0 HD2 PRO A 332 41.821 8.759 0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 332 42.968 8.133 -0.407 1.00 0.00 H new ATOM 387 N GLU A 333 41.443 6.962 3.785 1.00 0.00 N ATOM 388 CA GLU A 333 40.544 6.635 4.887 1.00 0.00 C ATOM 389 C GLU A 333 40.554 5.134 5.162 1.00 0.00 C ATOM 390 O GLU A 333 40.608 4.705 6.315 1.00 0.00 O ATOM 391 CB GLU A 333 39.118 7.073 4.541 1.00 0.00 C ATOM 392 CG GLU A 333 39.030 8.601 4.550 1.00 0.00 C ATOM 393 CD GLU A 333 37.648 9.046 4.082 1.00 0.00 C ATOM 394 OE1 GLU A 333 36.905 8.202 3.608 1.00 0.00 O ATOM 395 OE2 GLU A 333 37.353 10.223 4.204 1.00 0.00 O ATOM 0 H GLU A 333 40.991 7.386 2.975 1.00 0.00 H new ATOM 0 HA GLU A 333 40.887 7.162 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 333 38.837 6.689 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 333 38.414 6.655 5.261 1.00 0.00 H new ATOM 0 HG2 GLU A 333 39.222 8.979 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 333 39.796 9.022 3.899 1.00 0.00 H new ATOM 402 N PHE A 334 40.512 4.339 4.098 1.00 0.00 N ATOM 403 CA PHE A 334 40.525 2.889 4.245 1.00 0.00 C ATOM 404 C PHE A 334 41.863 2.429 4.812 1.00 0.00 C ATOM 405 O PHE A 334 41.919 1.571 5.693 1.00 0.00 O ATOM 406 CB PHE A 334 40.275 2.221 2.891 1.00 0.00 C ATOM 407 CG PHE A 334 40.118 0.732 3.087 1.00 0.00 C ATOM 408 CD1 PHE A 334 38.886 0.211 3.498 1.00 0.00 C ATOM 409 CD2 PHE A 334 41.201 -0.128 2.863 1.00 0.00 C ATOM 410 CE1 PHE A 334 38.734 -1.168 3.685 1.00 0.00 C ATOM 411 CE2 PHE A 334 41.049 -1.508 3.050 1.00 0.00 C ATOM 412 CZ PHE A 334 39.816 -2.027 3.461 1.00 0.00 C ATOM 0 H PHE A 334 40.469 4.670 3.134 1.00 0.00 H new ATOM 0 HA PHE A 334 39.732 2.601 4.935 1.00 0.00 H new ATOM 0 HB2 PHE A 334 39.378 2.635 2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 334 41.105 2.424 2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 334 38.051 0.874 3.671 1.00 0.00 H new ATOM 0 HD2 PHE A 334 42.153 0.273 2.546 1.00 0.00 H new ATOM 0 HE1 PHE A 334 37.782 -1.569 4.002 1.00 0.00 H new ATOM 0 HE2 PHE A 334 41.883 -2.171 2.877 1.00 0.00 H new ATOM 0 HZ PHE A 334 39.699 -3.091 3.605 1.00 0.00 H new ATOM 422 N LEU A 335 42.941 3.011 4.297 1.00 0.00 N ATOM 423 CA LEU A 335 44.280 2.660 4.757 1.00 0.00 C ATOM 424 C LEU A 335 44.447 3.003 6.232 1.00 0.00 C ATOM 425 O LEU A 335 45.066 2.255 6.987 1.00 0.00 O ATOM 426 CB LEU A 335 45.331 3.409 3.934 1.00 0.00 C ATOM 427 CG LEU A 335 45.371 2.840 2.509 1.00 0.00 C ATOM 428 CD1 LEU A 335 46.256 3.726 1.632 1.00 0.00 C ATOM 429 CD2 LEU A 335 45.934 1.410 2.518 1.00 0.00 C ATOM 0 H LEU A 335 42.915 3.722 3.567 1.00 0.00 H new ATOM 0 HA LEU A 335 44.417 1.586 4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 335 45.095 4.473 3.905 1.00 0.00 H new ATOM 0 HB3 LEU A 335 46.311 3.313 4.402 1.00 0.00 H new ATOM 0 HG LEU A 335 44.357 2.818 2.111 1.00 0.00 H new ATOM 0 HD11 LEU A 335 46.285 3.323 0.620 1.00 0.00 H new ATOM 0 HD12 LEU A 335 45.849 4.737 1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 335 47.266 3.751 2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 335 45.956 1.021 1.500 1.00 0.00 H new ATOM 0 HD22 LEU A 335 46.945 1.420 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 335 45.301 0.774 3.136 1.00 0.00 H new ATOM 441 N GLN A 336 43.893 4.141 6.635 1.00 0.00 N ATOM 442 CA GLN A 336 43.993 4.570 8.022 1.00 0.00 C ATOM 443 C GLN A 336 43.325 3.552 8.939 1.00 0.00 C ATOM 444 O GLN A 336 43.859 3.209 9.992 1.00 0.00 O ATOM 445 CB GLN A 336 43.318 5.935 8.190 1.00 0.00 C ATOM 446 CG GLN A 336 43.538 6.463 9.612 1.00 0.00 C ATOM 447 CD GLN A 336 45.022 6.704 9.859 1.00 0.00 C ATOM 448 OE1 GLN A 336 45.625 6.060 10.718 1.00 0.00 O ATOM 449 NE2 GLN A 336 45.651 7.597 9.146 1.00 0.00 N ATOM 0 H GLN A 336 43.376 4.776 6.027 1.00 0.00 H new ATOM 0 HA GLN A 336 45.046 4.650 8.291 1.00 0.00 H new ATOM 0 HB2 GLN A 336 43.724 6.641 7.465 1.00 0.00 H new ATOM 0 HB3 GLN A 336 42.250 5.848 7.988 1.00 0.00 H new ATOM 0 HG2 GLN A 336 42.983 7.390 9.754 1.00 0.00 H new ATOM 0 HG3 GLN A 336 43.153 5.747 10.338 1.00 0.00 H new ATOM 0 HE21 GLN A 336 45.148 8.129 8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 336 46.646 7.764 9.299 1.00 0.00 H new ATOM 458 N SER A 337 42.158 3.067 8.533 1.00 0.00 N ATOM 459 CA SER A 337 41.437 2.088 9.336 1.00 0.00 C ATOM 460 C SER A 337 42.241 0.800 9.460 1.00 0.00 C ATOM 461 O SER A 337 42.254 0.161 10.513 1.00 0.00 O ATOM 462 CB SER A 337 40.082 1.788 8.697 1.00 0.00 C ATOM 463 OG SER A 337 40.284 1.209 7.414 1.00 0.00 O ATOM 0 H SER A 337 41.695 3.332 7.663 1.00 0.00 H new ATOM 0 HA SER A 337 41.285 2.503 10.332 1.00 0.00 H new ATOM 0 HB2 SER A 337 39.512 1.108 9.330 1.00 0.00 H new ATOM 0 HB3 SER A 337 39.499 2.704 8.607 1.00 0.00 H new ATOM 0 HG SER A 337 41.068 1.618 6.990 1.00 0.00 H new ATOM 469 N VAL A 338 42.911 0.424 8.378 1.00 0.00 N ATOM 470 CA VAL A 338 43.717 -0.791 8.376 1.00 0.00 C ATOM 471 C VAL A 338 44.871 -0.673 9.365 1.00 0.00 C ATOM 472 O VAL A 338 45.138 -1.592 10.139 1.00 0.00 O ATOM 473 CB VAL A 338 44.272 -1.044 6.973 1.00 0.00 C ATOM 474 CG1 VAL A 338 45.269 -2.204 7.022 1.00 0.00 C ATOM 475 CG2 VAL A 338 43.125 -1.391 6.018 1.00 0.00 C ATOM 0 H VAL A 338 42.913 0.938 7.497 1.00 0.00 H new ATOM 0 HA VAL A 338 43.082 -1.625 8.675 1.00 0.00 H new ATOM 0 HB VAL A 338 44.776 -0.146 6.616 1.00 0.00 H new ATOM 0 HG11 VAL A 338 45.665 -2.386 6.023 1.00 0.00 H new ATOM 0 HG12 VAL A 338 46.087 -1.952 7.697 1.00 0.00 H new ATOM 0 HG13 VAL A 338 44.766 -3.102 7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 338 43.524 -1.570 5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 338 42.616 -2.287 6.372 1.00 0.00 H new ATOM 0 HG23 VAL A 338 42.418 -0.562 5.982 1.00 0.00 H new ATOM 485 N LEU A 339 45.551 0.470 9.339 1.00 0.00 N ATOM 486 CA LEU A 339 46.676 0.702 10.238 1.00 0.00 C ATOM 487 C LEU A 339 46.210 0.687 11.689 1.00 0.00 C ATOM 488 O LEU A 339 46.891 0.157 12.566 1.00 0.00 O ATOM 489 CB LEU A 339 47.330 2.046 9.916 1.00 0.00 C ATOM 490 CG LEU A 339 48.059 1.959 8.567 1.00 0.00 C ATOM 491 CD1 LEU A 339 48.529 3.353 8.152 1.00 0.00 C ATOM 492 CD2 LEU A 339 49.275 1.024 8.668 1.00 0.00 C ATOM 0 H LEU A 339 45.344 1.245 8.709 1.00 0.00 H new ATOM 0 HA LEU A 339 47.405 -0.096 10.097 1.00 0.00 H new ATOM 0 HB2 LEU A 339 46.574 2.830 9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 339 48.034 2.317 10.703 1.00 0.00 H new ATOM 0 HG LEU A 339 47.369 1.560 7.823 1.00 0.00 H new ATOM 0 HD11 LEU A 339 49.047 3.292 7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 339 47.668 4.014 8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 339 49.208 3.748 8.907 1.00 0.00 H new ATOM 0 HD21 LEU A 339 49.778 0.976 7.702 1.00 0.00 H new ATOM 0 HD22 LEU A 339 49.967 1.406 9.419 1.00 0.00 H new ATOM 0 HD23 LEU A 339 48.944 0.026 8.955 1.00 0.00 H new ATOM 504 N GLU A 340 45.044 1.265 11.936 1.00 0.00 N ATOM 505 CA GLU A 340 44.496 1.303 13.285 1.00 0.00 C ATOM 506 C GLU A 340 44.231 -0.108 13.795 1.00 0.00 C ATOM 507 O GLU A 340 44.475 -0.413 14.963 1.00 0.00 O ATOM 508 CB GLU A 340 43.196 2.104 13.292 1.00 0.00 C ATOM 509 CG GLU A 340 43.510 3.588 13.090 1.00 0.00 C ATOM 510 CD GLU A 340 42.225 4.366 12.841 1.00 0.00 C ATOM 511 OE1 GLU A 340 41.223 3.736 12.545 1.00 0.00 O ATOM 512 OE2 GLU A 340 42.261 5.580 12.953 1.00 0.00 O ATOM 0 H GLU A 340 44.462 1.711 11.227 1.00 0.00 H new ATOM 0 HA GLU A 340 45.222 1.782 13.942 1.00 0.00 H new ATOM 0 HB2 GLU A 340 42.534 1.750 12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 340 42.671 1.958 14.236 1.00 0.00 H new ATOM 0 HG2 GLU A 340 44.019 3.983 13.969 1.00 0.00 H new ATOM 0 HG3 GLU A 340 44.189 3.712 12.246 1.00 0.00 H new ATOM 519 N ASN A 341 43.731 -0.966 12.915 1.00 0.00 N ATOM 520 CA ASN A 341 43.441 -2.341 13.290 1.00 0.00 C ATOM 521 C ASN A 341 44.708 -3.054 13.739 1.00 0.00 C ATOM 522 O ASN A 341 44.690 -3.813 14.706 1.00 0.00 O ATOM 523 CB ASN A 341 42.840 -3.096 12.105 1.00 0.00 C ATOM 524 CG ASN A 341 42.470 -4.517 12.520 1.00 0.00 C ATOM 525 OD1 ASN A 341 41.644 -4.710 13.412 1.00 0.00 O ATOM 526 ND2 ASN A 341 43.040 -5.528 11.923 1.00 0.00 N ATOM 0 H ASN A 341 43.520 -0.735 11.944 1.00 0.00 H new ATOM 0 HA ASN A 341 42.728 -2.322 14.114 1.00 0.00 H new ATOM 0 HB2 ASN A 341 41.955 -2.573 11.742 1.00 0.00 H new ATOM 0 HB3 ASN A 341 43.554 -3.124 11.282 1.00 0.00 H new ATOM 0 HD21 ASN A 341 42.801 -6.482 12.195 1.00 0.00 H new ATOM 0 HD22 ASN A 341 43.724 -5.364 11.184 1.00 0.00 H new ATOM 533 N LEU A 342 45.803 -2.820 13.027 1.00 0.00 N ATOM 534 CA LEU A 342 47.060 -3.476 13.364 1.00 0.00 C ATOM 535 C LEU A 342 47.305 -3.417 14.879 1.00 0.00 C ATOM 536 O LEU A 342 47.625 -2.357 15.418 1.00 0.00 O ATOM 537 CB LEU A 342 48.219 -2.802 12.627 1.00 0.00 C ATOM 538 CG LEU A 342 48.063 -3.031 11.117 1.00 0.00 C ATOM 539 CD1 LEU A 342 49.143 -2.260 10.361 1.00 0.00 C ATOM 540 CD2 LEU A 342 48.191 -4.524 10.790 1.00 0.00 C ATOM 0 H LEU A 342 45.848 -2.191 12.225 1.00 0.00 H new ATOM 0 HA LEU A 342 46.999 -4.520 13.057 1.00 0.00 H new ATOM 0 HB2 LEU A 342 48.231 -1.734 12.845 1.00 0.00 H new ATOM 0 HB3 LEU A 342 49.170 -3.209 12.972 1.00 0.00 H new ATOM 0 HG LEU A 342 47.078 -2.678 10.813 1.00 0.00 H new ATOM 0 HD11 LEU A 342 49.027 -2.427 9.290 1.00 0.00 H new ATOM 0 HD12 LEU A 342 49.047 -1.196 10.575 1.00 0.00 H new ATOM 0 HD13 LEU A 342 50.127 -2.607 10.678 1.00 0.00 H new ATOM 0 HD21 LEU A 342 48.078 -4.672 9.716 1.00 0.00 H new ATOM 0 HD22 LEU A 342 49.171 -4.883 11.105 1.00 0.00 H new ATOM 0 HD23 LEU A 342 47.415 -5.080 11.316 1.00 0.00 H new ATOM 552 N PRO A 343 47.174 -4.529 15.585 1.00 0.00 N ATOM 553 CA PRO A 343 47.405 -4.556 17.065 1.00 0.00 C ATOM 554 C PRO A 343 48.802 -4.054 17.439 1.00 0.00 C ATOM 555 O PRO A 343 49.783 -4.358 16.761 1.00 0.00 O ATOM 556 CB PRO A 343 47.266 -6.038 17.430 1.00 0.00 C ATOM 557 CG PRO A 343 46.427 -6.632 16.354 1.00 0.00 C ATOM 558 CD PRO A 343 46.775 -5.864 15.083 1.00 0.00 C ATOM 0 HA PRO A 343 46.707 -3.907 17.593 1.00 0.00 H new ATOM 0 HB2 PRO A 343 48.241 -6.523 17.481 1.00 0.00 H new ATOM 0 HB3 PRO A 343 46.797 -6.160 18.406 1.00 0.00 H new ATOM 0 HG2 PRO A 343 46.636 -7.695 16.238 1.00 0.00 H new ATOM 0 HG3 PRO A 343 45.367 -6.539 16.589 1.00 0.00 H new ATOM 0 HD2 PRO A 343 47.584 -6.344 14.533 1.00 0.00 H new ATOM 0 HD3 PRO A 343 45.923 -5.800 14.406 1.00 0.00 H new ATOM 566 N GLY A 344 48.882 -3.295 18.529 1.00 0.00 N ATOM 567 CA GLY A 344 50.164 -2.769 18.990 1.00 0.00 C ATOM 568 C GLY A 344 50.558 -1.511 18.225 1.00 0.00 C ATOM 569 O GLY A 344 51.633 -0.955 18.444 1.00 0.00 O ATOM 0 H GLY A 344 48.082 -3.032 19.105 1.00 0.00 H new ATOM 0 HA2 GLY A 344 50.105 -2.545 20.055 1.00 0.00 H new ATOM 0 HA3 GLY A 344 50.936 -3.528 18.866 1.00 0.00 H new ATOM 573 N VAL A 345 49.682 -1.070 17.329 1.00 0.00 N ATOM 574 CA VAL A 345 49.945 0.125 16.536 1.00 0.00 C ATOM 575 C VAL A 345 48.802 1.120 16.688 1.00 0.00 C ATOM 576 O VAL A 345 47.635 0.761 16.530 1.00 0.00 O ATOM 577 CB VAL A 345 50.096 -0.253 15.066 1.00 0.00 C ATOM 578 CG1 VAL A 345 50.363 1.004 14.238 1.00 0.00 C ATOM 579 CG2 VAL A 345 51.265 -1.227 14.908 1.00 0.00 C ATOM 0 H VAL A 345 48.787 -1.520 17.134 1.00 0.00 H new ATOM 0 HA VAL A 345 50.868 0.584 16.891 1.00 0.00 H new ATOM 0 HB VAL A 345 49.178 -0.727 14.718 1.00 0.00 H new ATOM 0 HG11 VAL A 345 50.471 0.732 13.188 1.00 0.00 H new ATOM 0 HG12 VAL A 345 49.529 1.697 14.350 1.00 0.00 H new ATOM 0 HG13 VAL A 345 51.280 1.480 14.585 1.00 0.00 H new ATOM 0 HG21 VAL A 345 51.374 -1.498 13.858 1.00 0.00 H new ATOM 0 HG22 VAL A 345 52.183 -0.754 15.258 1.00 0.00 H new ATOM 0 HG23 VAL A 345 51.073 -2.124 15.496 1.00 0.00 H new ATOM 589 N ASP A 346 49.142 2.369 16.996 1.00 0.00 N ATOM 590 CA ASP A 346 48.131 3.407 17.169 1.00 0.00 C ATOM 591 C ASP A 346 48.428 4.612 16.269 1.00 0.00 C ATOM 592 O ASP A 346 49.589 4.915 15.992 1.00 0.00 O ATOM 593 CB ASP A 346 48.095 3.852 18.634 1.00 0.00 C ATOM 594 CG ASP A 346 47.573 2.716 19.508 1.00 0.00 C ATOM 595 OD1 ASP A 346 47.058 1.758 18.954 1.00 0.00 O ATOM 596 OD2 ASP A 346 47.690 2.823 20.717 1.00 0.00 O ATOM 0 H ASP A 346 50.103 2.685 17.130 1.00 0.00 H new ATOM 0 HA ASP A 346 47.161 2.997 16.887 1.00 0.00 H new ATOM 0 HB2 ASP A 346 49.094 4.144 18.959 1.00 0.00 H new ATOM 0 HB3 ASP A 346 47.456 4.729 18.741 1.00 0.00 H new ATOM 601 N PRO A 347 47.409 5.305 15.811 1.00 0.00 N ATOM 602 CA PRO A 347 47.583 6.500 14.930 1.00 0.00 C ATOM 603 C PRO A 347 48.259 7.658 15.660 1.00 0.00 C ATOM 604 O PRO A 347 48.808 8.567 15.035 1.00 0.00 O ATOM 605 CB PRO A 347 46.154 6.867 14.513 1.00 0.00 C ATOM 606 CG PRO A 347 45.277 6.291 15.571 1.00 0.00 C ATOM 607 CD PRO A 347 45.984 5.033 16.073 1.00 0.00 C ATOM 0 HA PRO A 347 48.231 6.288 14.079 1.00 0.00 H new ATOM 0 HB2 PRO A 347 46.029 7.948 14.444 1.00 0.00 H new ATOM 0 HB3 PRO A 347 45.912 6.455 13.533 1.00 0.00 H new ATOM 0 HG2 PRO A 347 45.127 7.003 16.382 1.00 0.00 H new ATOM 0 HG3 PRO A 347 44.292 6.051 15.172 1.00 0.00 H new ATOM 0 HD2 PRO A 347 45.797 4.865 17.134 1.00 0.00 H new ATOM 0 HD3 PRO A 347 45.642 4.143 15.544 1.00 0.00 H new ATOM 615 N ASN A 348 48.215 7.619 16.988 1.00 0.00 N ATOM 616 CA ASN A 348 48.826 8.670 17.794 1.00 0.00 C ATOM 617 C ASN A 348 50.347 8.549 17.775 1.00 0.00 C ATOM 618 O ASN A 348 51.056 9.466 18.187 1.00 0.00 O ATOM 619 CB ASN A 348 48.319 8.585 19.234 1.00 0.00 C ATOM 620 CG ASN A 348 46.854 9.005 19.299 1.00 0.00 C ATOM 621 OD1 ASN A 348 46.358 9.670 18.389 1.00 0.00 O ATOM 622 ND2 ASN A 348 46.129 8.655 20.325 1.00 0.00 N ATOM 0 H ASN A 348 47.766 6.877 17.525 1.00 0.00 H new ATOM 0 HA ASN A 348 48.548 9.635 17.369 1.00 0.00 H new ATOM 0 HB2 ASN A 348 48.431 7.567 19.608 1.00 0.00 H new ATOM 0 HB3 ASN A 348 48.919 9.228 19.878 1.00 0.00 H new ATOM 0 HD21 ASN A 348 45.149 8.932 20.375 1.00 0.00 H new ATOM 0 HD22 ASN A 348 46.542 8.104 21.077 1.00 0.00 H new ATOM 629 N ASN A 349 50.842 7.414 17.291 1.00 0.00 N ATOM 630 CA ASN A 349 52.277 7.185 17.219 1.00 0.00 C ATOM 631 C ASN A 349 52.920 8.156 16.237 1.00 0.00 C ATOM 632 O ASN A 349 52.357 8.460 15.185 1.00 0.00 O ATOM 633 CB ASN A 349 52.552 5.749 16.776 1.00 0.00 C ATOM 634 CG ASN A 349 52.168 4.777 17.886 1.00 0.00 C ATOM 635 OD1 ASN A 349 51.903 3.535 17.589 1.00 0.00 O flip ATOM 636 ND2 ASN A 349 52.104 5.160 19.054 1.00 0.00 N flip ATOM 0 H ASN A 349 50.271 6.643 16.945 1.00 0.00 H new ATOM 0 HA ASN A 349 52.706 7.347 18.208 1.00 0.00 H new ATOM 0 HB2 ASN A 349 51.985 5.524 15.872 1.00 0.00 H new ATOM 0 HB3 ASN A 349 53.607 5.632 16.528 1.00 0.00 H new ATOM 0 HD21 ASN A 349 52.312 6.132 19.284 1.00 0.00 H new ATOM 0 HD22 ASN A 349 51.843 4.506 19.792 1.00 0.00 H new ATOM 643 N GLU A 350 54.101 8.635 16.595 1.00 0.00 N ATOM 644 CA GLU A 350 54.827 9.571 15.749 1.00 0.00 C ATOM 645 C GLU A 350 55.214 8.910 14.431 1.00 0.00 C ATOM 646 O GLU A 350 55.195 9.548 13.380 1.00 0.00 O ATOM 647 CB GLU A 350 56.087 10.062 16.469 1.00 0.00 C ATOM 648 CG GLU A 350 55.704 10.953 17.658 1.00 0.00 C ATOM 649 CD GLU A 350 55.282 10.098 18.850 1.00 0.00 C ATOM 650 OE1 GLU A 350 55.403 8.887 18.763 1.00 0.00 O ATOM 651 OE2 GLU A 350 54.841 10.668 19.835 1.00 0.00 O ATOM 0 H GLU A 350 54.577 8.392 17.464 1.00 0.00 H new ATOM 0 HA GLU A 350 54.178 10.421 15.539 1.00 0.00 H new ATOM 0 HB2 GLU A 350 56.671 9.210 16.817 1.00 0.00 H new ATOM 0 HB3 GLU A 350 56.717 10.619 15.776 1.00 0.00 H new ATOM 0 HG2 GLU A 350 56.549 11.583 17.935 1.00 0.00 H new ATOM 0 HG3 GLU A 350 54.889 11.619 17.374 1.00 0.00 H new ATOM 658 N ALA A 351 55.580 7.634 14.498 1.00 0.00 N ATOM 659 CA ALA A 351 55.985 6.912 13.298 1.00 0.00 C ATOM 660 C ALA A 351 54.849 6.872 12.284 1.00 0.00 C ATOM 661 O ALA A 351 55.063 7.092 11.090 1.00 0.00 O ATOM 662 CB ALA A 351 56.388 5.484 13.666 1.00 0.00 C ATOM 0 H ALA A 351 55.605 7.085 15.357 1.00 0.00 H new ATOM 0 HA ALA A 351 56.834 7.431 12.853 1.00 0.00 H new ATOM 0 HB1 ALA A 351 56.690 4.948 12.766 1.00 0.00 H new ATOM 0 HB2 ALA A 351 57.220 5.511 14.369 1.00 0.00 H new ATOM 0 HB3 ALA A 351 55.541 4.974 14.125 1.00 0.00 H new ATOM 668 N ILE A 352 53.639 6.606 12.760 1.00 0.00 N ATOM 669 CA ILE A 352 52.482 6.553 11.877 1.00 0.00 C ATOM 670 C ILE A 352 52.213 7.921 11.266 1.00 0.00 C ATOM 671 O ILE A 352 51.962 8.040 10.068 1.00 0.00 O ATOM 672 CB ILE A 352 51.254 6.076 12.656 1.00 0.00 C ATOM 673 CG1 ILE A 352 51.473 4.626 13.131 1.00 0.00 C ATOM 674 CG2 ILE A 352 50.002 6.169 11.774 1.00 0.00 C ATOM 675 CD1 ILE A 352 51.686 3.664 11.949 1.00 0.00 C ATOM 0 H ILE A 352 53.435 6.425 13.743 1.00 0.00 H new ATOM 0 HA ILE A 352 52.690 5.849 11.071 1.00 0.00 H new ATOM 0 HB ILE A 352 51.110 6.715 13.527 1.00 0.00 H new ATOM 0 HG12 ILE A 352 52.339 4.587 13.792 1.00 0.00 H new ATOM 0 HG13 ILE A 352 50.612 4.300 13.714 1.00 0.00 H new ATOM 0 HG21 ILE A 352 49.134 5.827 12.337 1.00 0.00 H new ATOM 0 HG22 ILE A 352 49.850 7.203 11.465 1.00 0.00 H new ATOM 0 HG23 ILE A 352 50.131 5.542 10.891 1.00 0.00 H new ATOM 0 HD11 ILE A 352 51.837 2.652 12.326 1.00 0.00 H new ATOM 0 HD12 ILE A 352 50.809 3.683 11.302 1.00 0.00 H new ATOM 0 HD13 ILE A 352 52.563 3.974 11.381 1.00 0.00 H new ATOM 687 N ARG A 353 52.267 8.949 12.099 1.00 0.00 N ATOM 688 CA ARG A 353 52.024 10.303 11.624 1.00 0.00 C ATOM 689 C ARG A 353 53.054 10.694 10.569 1.00 0.00 C ATOM 690 O ARG A 353 52.707 11.241 9.520 1.00 0.00 O ATOM 691 CB ARG A 353 52.079 11.284 12.797 1.00 0.00 C ATOM 692 CG ARG A 353 51.695 12.684 12.314 1.00 0.00 C ATOM 693 CD ARG A 353 51.728 13.657 13.492 1.00 0.00 C ATOM 694 NE ARG A 353 50.743 13.265 14.494 1.00 0.00 N ATOM 695 CZ ARG A 353 49.463 13.600 14.366 1.00 0.00 C ATOM 696 NH1 ARG A 353 48.600 13.239 15.276 1.00 0.00 N ATOM 697 NH2 ARG A 353 49.068 14.290 13.331 1.00 0.00 N ATOM 0 H ARG A 353 52.474 8.874 13.095 1.00 0.00 H new ATOM 0 HA ARG A 353 51.033 10.340 11.171 1.00 0.00 H new ATOM 0 HB2 ARG A 353 51.400 10.962 13.586 1.00 0.00 H new ATOM 0 HB3 ARG A 353 53.081 11.298 13.225 1.00 0.00 H new ATOM 0 HG2 ARG A 353 52.384 13.014 11.537 1.00 0.00 H new ATOM 0 HG3 ARG A 353 50.699 12.667 11.871 1.00 0.00 H new ATOM 0 HD2 ARG A 353 52.724 13.670 13.935 1.00 0.00 H new ATOM 0 HD3 ARG A 353 51.521 14.669 13.144 1.00 0.00 H new ATOM 0 HE ARG A 353 51.041 12.725 15.306 1.00 0.00 H new ATOM 0 HH11 ARG A 353 48.908 12.700 16.085 1.00 0.00 H new ATOM 0 HH12 ARG A 353 47.618 13.496 15.178 1.00 0.00 H new ATOM 0 HH21 ARG A 353 49.742 14.573 12.619 1.00 0.00 H new ATOM 0 HH22 ARG A 353 48.086 14.546 13.234 1.00 0.00 H new ATOM 711 N ASN A 354 54.322 10.412 10.848 1.00 0.00 N ATOM 712 CA ASN A 354 55.391 10.741 9.912 1.00 0.00 C ATOM 713 C ASN A 354 55.235 9.963 8.609 1.00 0.00 C ATOM 714 O ASN A 354 55.469 10.497 7.525 1.00 0.00 O ATOM 715 CB ASN A 354 56.748 10.427 10.540 1.00 0.00 C ATOM 716 CG ASN A 354 57.050 11.431 11.647 1.00 0.00 C ATOM 717 OD1 ASN A 354 56.458 12.509 11.687 1.00 0.00 O ATOM 718 ND2 ASN A 354 57.942 11.141 12.555 1.00 0.00 N ATOM 0 H ASN A 354 54.633 9.960 11.708 1.00 0.00 H new ATOM 0 HA ASN A 354 55.331 11.806 9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 354 56.746 9.415 10.945 1.00 0.00 H new ATOM 0 HB3 ASN A 354 57.528 10.465 9.780 1.00 0.00 H new ATOM 0 HD21 ASN A 354 58.149 11.808 13.298 1.00 0.00 H new ATOM 0 HD22 ASN A 354 58.432 10.247 12.521 1.00 0.00 H new ATOM 725 N ALA A 355 54.846 8.698 8.723 1.00 0.00 N ATOM 726 CA ALA A 355 54.672 7.855 7.545 1.00 0.00 C ATOM 727 C ALA A 355 53.596 8.423 6.627 1.00 0.00 C ATOM 728 O ALA A 355 53.758 8.447 5.407 1.00 0.00 O ATOM 729 CB ALA A 355 54.281 6.443 7.976 1.00 0.00 C ATOM 0 H ALA A 355 54.647 8.236 9.610 1.00 0.00 H new ATOM 0 HA ALA A 355 55.615 7.826 7.000 1.00 0.00 H new ATOM 0 HB1 ALA A 355 54.152 5.816 7.094 1.00 0.00 H new ATOM 0 HB2 ALA A 355 55.065 6.025 8.607 1.00 0.00 H new ATOM 0 HB3 ALA A 355 53.346 6.479 8.536 1.00 0.00 H new ATOM 735 N MET A 356 52.500 8.883 7.219 1.00 0.00 N ATOM 736 CA MET A 356 51.410 9.451 6.437 1.00 0.00 C ATOM 737 C MET A 356 51.868 10.724 5.732 1.00 0.00 C ATOM 738 O MET A 356 51.506 10.971 4.581 1.00 0.00 O ATOM 739 CB MET A 356 50.228 9.769 7.356 1.00 0.00 C ATOM 740 CG MET A 356 49.599 8.474 7.891 1.00 0.00 C ATOM 741 SD MET A 356 48.857 7.526 6.536 1.00 0.00 S ATOM 742 CE MET A 356 50.061 6.173 6.492 1.00 0.00 C ATOM 0 H MET A 356 52.344 8.874 8.227 1.00 0.00 H new ATOM 0 HA MET A 356 51.102 8.724 5.685 1.00 0.00 H new ATOM 0 HB2 MET A 356 50.563 10.388 8.188 1.00 0.00 H new ATOM 0 HB3 MET A 356 49.480 10.345 6.811 1.00 0.00 H new ATOM 0 HG2 MET A 356 50.358 7.873 8.391 1.00 0.00 H new ATOM 0 HG3 MET A 356 48.839 8.712 8.636 1.00 0.00 H new ATOM 0 HE1 MET A 356 49.794 5.474 5.699 1.00 0.00 H new ATOM 0 HE2 MET A 356 51.055 6.577 6.300 1.00 0.00 H new ATOM 0 HE3 MET A 356 50.059 5.653 7.450 1.00 0.00 H new ATOM 752 N GLY A 357 52.669 11.530 6.427 1.00 0.00 N ATOM 753 CA GLY A 357 53.167 12.770 5.846 1.00 0.00 C ATOM 754 C GLY A 357 54.031 12.492 4.622 1.00 0.00 C ATOM 755 O GLY A 357 53.903 13.158 3.594 1.00 0.00 O ATOM 0 H GLY A 357 52.982 11.348 7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 357 52.328 13.407 5.566 1.00 0.00 H new ATOM 0 HA3 GLY A 357 53.748 13.316 6.589 1.00 0.00 H new ATOM 759 N SER A 358 54.906 11.500 4.737 1.00 0.00 N ATOM 760 CA SER A 358 55.784 11.136 3.632 1.00 0.00 C ATOM 761 C SER A 358 54.974 10.604 2.457 1.00 0.00 C ATOM 762 O SER A 358 55.273 10.898 1.300 1.00 0.00 O ATOM 763 CB SER A 358 56.788 10.076 4.081 1.00 0.00 C ATOM 764 OG SER A 358 57.653 10.635 5.060 1.00 0.00 O ATOM 0 H SER A 358 55.026 10.937 5.579 1.00 0.00 H new ATOM 0 HA SER A 358 56.321 12.030 3.316 1.00 0.00 H new ATOM 0 HB2 SER A 358 56.264 9.213 4.492 1.00 0.00 H new ATOM 0 HB3 SER A 358 57.366 9.721 3.228 1.00 0.00 H new ATOM 0 HG SER A 358 57.188 10.677 5.922 1.00 0.00 H new ATOM 770 N LEU A 359 53.955 9.809 2.764 1.00 0.00 N ATOM 771 CA LEU A 359 53.114 9.231 1.723 1.00 0.00 C ATOM 772 C LEU A 359 52.421 10.335 0.932 1.00 0.00 C ATOM 773 O LEU A 359 52.362 10.287 -0.296 1.00 0.00 O ATOM 774 CB LEU A 359 52.059 8.309 2.353 1.00 0.00 C ATOM 775 CG LEU A 359 51.197 7.659 1.258 1.00 0.00 C ATOM 776 CD1 LEU A 359 52.074 6.792 0.349 1.00 0.00 C ATOM 777 CD2 LEU A 359 50.121 6.781 1.907 1.00 0.00 C ATOM 0 H LEU A 359 53.693 9.552 3.716 1.00 0.00 H new ATOM 0 HA LEU A 359 53.743 8.651 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 359 52.549 7.537 2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 359 51.426 8.880 3.033 1.00 0.00 H new ATOM 0 HG LEU A 359 50.725 8.442 0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 359 51.456 6.335 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 359 52.839 7.412 -0.118 1.00 0.00 H new ATOM 0 HD13 LEU A 359 52.551 6.011 0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 359 49.510 6.320 1.131 1.00 0.00 H new ATOM 0 HD22 LEU A 359 50.597 6.003 2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 359 49.489 7.395 2.549 1.00 0.00 H new ATOM 789 N ALA A 360 51.894 11.325 1.644 1.00 0.00 N ATOM 790 CA ALA A 360 51.201 12.430 0.995 1.00 0.00 C ATOM 791 C ALA A 360 52.141 13.182 0.064 1.00 0.00 C ATOM 792 O ALA A 360 51.758 13.572 -1.040 1.00 0.00 O ATOM 793 CB ALA A 360 50.649 13.392 2.050 1.00 0.00 C ATOM 0 H ALA A 360 51.933 11.385 2.662 1.00 0.00 H new ATOM 0 HA ALA A 360 50.378 12.021 0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 360 50.132 14.215 1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 360 49.951 12.861 2.697 1.00 0.00 H new ATOM 0 HB3 ALA A 360 51.470 13.786 2.649 1.00 0.00 H new ATOM 1099 N LYS B 25 37.259 -6.167 -2.954 1.00 0.00 N ATOM 1100 CA LYS B 25 38.612 -5.688 -3.209 1.00 0.00 C ATOM 1101 C LYS B 25 39.174 -4.985 -1.977 1.00 0.00 C ATOM 1102 O LYS B 25 40.350 -5.139 -1.646 1.00 0.00 O ATOM 1103 CB LYS B 25 38.613 -4.726 -4.396 1.00 0.00 C ATOM 1104 CG LYS B 25 38.390 -5.508 -5.693 1.00 0.00 C ATOM 1105 CD LYS B 25 38.340 -4.534 -6.873 1.00 0.00 C ATOM 1106 CE LYS B 25 36.896 -4.089 -7.108 1.00 0.00 C ATOM 1107 NZ LYS B 25 36.123 -5.211 -7.714 1.00 0.00 N ATOM 0 HA LYS B 25 39.242 -6.547 -3.441 1.00 0.00 H new ATOM 0 HB2 LYS B 25 37.830 -3.978 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS B 25 39.561 -4.190 -4.441 1.00 0.00 H new ATOM 0 HG2 LYS B 25 39.193 -6.230 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS B 25 37.460 -6.073 -5.634 1.00 0.00 H new ATOM 0 HD2 LYS B 25 38.970 -3.668 -6.670 1.00 0.00 H new ATOM 0 HD3 LYS B 25 38.735 -5.012 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS B 25 36.440 -3.786 -6.166 1.00 0.00 H new ATOM 0 HE3 LYS B 25 36.874 -3.221 -7.767 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 35.319 -4.828 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 36.740 -5.752 -8.353 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 35.771 -5.836 -6.961 1.00 0.00 H new ATOM 1121 N ARG B 26 38.331 -4.211 -1.305 1.00 0.00 N ATOM 1122 CA ARG B 26 38.765 -3.491 -0.113 1.00 0.00 C ATOM 1123 C ARG B 26 39.192 -4.474 0.972 1.00 0.00 C ATOM 1124 O ARG B 26 40.208 -4.277 1.639 1.00 0.00 O ATOM 1125 CB ARG B 26 37.613 -2.630 0.407 1.00 0.00 C ATOM 1126 CG ARG B 26 37.360 -1.478 -0.566 1.00 0.00 C ATOM 1127 CD ARG B 26 36.103 -0.718 -0.140 1.00 0.00 C ATOM 1128 NE ARG B 26 35.885 0.426 -1.020 1.00 0.00 N ATOM 1129 CZ ARG B 26 35.324 0.277 -2.216 1.00 0.00 C ATOM 1130 NH1 ARG B 26 34.962 -0.908 -2.623 1.00 0.00 N ATOM 1131 NH2 ARG B 26 35.138 1.317 -2.984 1.00 0.00 N ATOM 0 H ARG B 26 37.354 -4.066 -1.560 1.00 0.00 H new ATOM 0 HA ARG B 26 39.614 -2.858 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG B 26 36.712 -3.234 0.514 1.00 0.00 H new ATOM 0 HB3 ARG B 26 37.854 -2.239 1.396 1.00 0.00 H new ATOM 0 HG2 ARG B 26 38.217 -0.805 -0.581 1.00 0.00 H new ATOM 0 HG3 ARG B 26 37.240 -1.863 -1.579 1.00 0.00 H new ATOM 0 HD2 ARG B 26 35.239 -1.382 -0.173 1.00 0.00 H new ATOM 0 HD3 ARG B 26 36.206 -0.379 0.891 1.00 0.00 H new ATOM 0 HE ARG B 26 36.168 1.356 -0.712 1.00 0.00 H new ATOM 0 HH11 ARG B 26 35.109 -1.720 -2.024 1.00 0.00 H new ATOM 0 HH12 ARG B 26 34.532 -1.023 -3.541 1.00 0.00 H new ATOM 0 HH21 ARG B 26 35.423 2.243 -2.666 1.00 0.00 H new ATOM 0 HH22 ARG B 26 34.708 1.203 -3.902 1.00 0.00 H new ATOM 1145 N ALA B 27 38.414 -5.539 1.135 1.00 0.00 N ATOM 1146 CA ALA B 27 38.726 -6.554 2.136 1.00 0.00 C ATOM 1147 C ALA B 27 40.056 -7.226 1.814 1.00 0.00 C ATOM 1148 O ALA B 27 40.860 -7.495 2.706 1.00 0.00 O ATOM 1149 CB ALA B 27 37.618 -7.607 2.185 1.00 0.00 C ATOM 0 H ALA B 27 37.570 -5.721 0.592 1.00 0.00 H new ATOM 0 HA ALA B 27 38.800 -6.067 3.108 1.00 0.00 H new ATOM 0 HB1 ALA B 27 37.863 -8.358 2.936 1.00 0.00 H new ATOM 0 HB2 ALA B 27 36.673 -7.129 2.445 1.00 0.00 H new ATOM 0 HB3 ALA B 27 37.527 -8.085 1.210 1.00 0.00 H new ATOM 1155 N ALA B 28 40.276 -7.499 0.532 1.00 0.00 N ATOM 1156 CA ALA B 28 41.509 -8.142 0.096 1.00 0.00 C ATOM 1157 C ALA B 28 42.714 -7.268 0.429 1.00 0.00 C ATOM 1158 O ALA B 28 43.759 -7.768 0.845 1.00 0.00 O ATOM 1159 CB ALA B 28 41.464 -8.402 -1.409 1.00 0.00 C ATOM 0 H ALA B 28 39.620 -7.286 -0.219 1.00 0.00 H new ATOM 0 HA ALA B 28 41.605 -9.092 0.622 1.00 0.00 H new ATOM 0 HB1 ALA B 28 42.391 -8.883 -1.723 1.00 0.00 H new ATOM 0 HB2 ALA B 28 40.621 -9.053 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA B 28 41.348 -7.456 -1.938 1.00 0.00 H new ATOM 1165 N ALA B 29 42.561 -5.960 0.239 1.00 0.00 N ATOM 1166 CA ALA B 29 43.648 -5.028 0.521 1.00 0.00 C ATOM 1167 C ALA B 29 44.041 -5.100 1.993 1.00 0.00 C ATOM 1168 O ALA B 29 45.226 -5.127 2.327 1.00 0.00 O ATOM 1169 CB ALA B 29 43.208 -3.598 0.180 1.00 0.00 C ATOM 0 H ALA B 29 41.705 -5.525 -0.105 1.00 0.00 H new ATOM 0 HA ALA B 29 44.508 -5.301 -0.090 1.00 0.00 H new ATOM 0 HB1 ALA B 29 44.023 -2.906 0.392 1.00 0.00 H new ATOM 0 HB2 ALA B 29 42.948 -3.539 -0.877 1.00 0.00 H new ATOM 0 HB3 ALA B 29 42.339 -3.331 0.782 1.00 0.00 H new ATOM 1175 N LYS B 30 43.042 -5.141 2.869 1.00 0.00 N ATOM 1176 CA LYS B 30 43.297 -5.221 4.304 1.00 0.00 C ATOM 1177 C LYS B 30 44.014 -6.521 4.652 1.00 0.00 C ATOM 1178 O LYS B 30 44.965 -6.529 5.432 1.00 0.00 O ATOM 1179 CB LYS B 30 41.979 -5.125 5.080 1.00 0.00 C ATOM 1180 CG LYS B 30 42.259 -5.170 6.586 1.00 0.00 C ATOM 1181 CD LYS B 30 40.950 -4.990 7.356 1.00 0.00 C ATOM 1182 CE LYS B 30 41.235 -5.022 8.858 1.00 0.00 C ATOM 1183 NZ LYS B 30 41.749 -6.370 9.236 1.00 0.00 N ATOM 0 H LYS B 30 42.055 -5.120 2.613 1.00 0.00 H new ATOM 0 HA LYS B 30 43.938 -4.386 4.586 1.00 0.00 H new ATOM 0 HB2 LYS B 30 41.462 -4.200 4.824 1.00 0.00 H new ATOM 0 HB3 LYS B 30 41.320 -5.946 4.799 1.00 0.00 H new ATOM 0 HG2 LYS B 30 42.722 -6.120 6.852 1.00 0.00 H new ATOM 0 HG3 LYS B 30 42.964 -4.385 6.859 1.00 0.00 H new ATOM 0 HD2 LYS B 30 40.482 -4.044 7.084 1.00 0.00 H new ATOM 0 HD3 LYS B 30 40.248 -5.781 7.091 1.00 0.00 H new ATOM 0 HE2 LYS B 30 41.966 -4.256 9.117 1.00 0.00 H new ATOM 0 HE3 LYS B 30 40.326 -4.797 9.417 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 41.225 -6.722 10.063 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 41.620 -7.026 8.440 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 42.760 -6.303 9.470 1.00 0.00 H new ATOM 1197 N HIS B 31 43.544 -7.619 4.073 1.00 0.00 N ATOM 1198 CA HIS B 31 44.138 -8.925 4.333 1.00 0.00 C ATOM 1199 C HIS B 31 45.603 -8.947 3.907 1.00 0.00 C ATOM 1200 O HIS B 31 46.460 -9.446 4.632 1.00 0.00 O ATOM 1201 CB HIS B 31 43.369 -10.009 3.575 1.00 0.00 C ATOM 1202 CG HIS B 31 43.904 -11.363 3.955 1.00 0.00 C ATOM 1203 ND1 HIS B 31 45.012 -11.920 3.336 1.00 0.00 N ATOM 1204 CD2 HIS B 31 43.493 -12.283 4.888 1.00 0.00 C ATOM 1205 CE1 HIS B 31 45.227 -13.123 3.899 1.00 0.00 C ATOM 1206 NE2 HIS B 31 44.330 -13.393 4.850 1.00 0.00 N ATOM 0 H HIS B 31 42.758 -7.632 3.424 1.00 0.00 H new ATOM 0 HA HIS B 31 44.082 -9.119 5.404 1.00 0.00 H new ATOM 0 HB2 HIS B 31 42.306 -9.947 3.810 1.00 0.00 H new ATOM 0 HB3 HIS B 31 43.468 -9.856 2.500 1.00 0.00 H new ATOM 0 HD2 HIS B 31 42.648 -12.163 5.550 1.00 0.00 H new ATOM 0 HE1 HIS B 31 46.028 -13.789 3.616 1.00 0.00 H new ATOM 0 HE2 HIS B 31 44.271 -14.233 5.425 1.00 0.00 H new ATOM 1215 N LEU B 32 45.882 -8.411 2.725 1.00 0.00 N ATOM 1216 CA LEU B 32 47.248 -8.389 2.224 1.00 0.00 C ATOM 1217 C LEU B 32 48.123 -7.602 3.190 1.00 0.00 C ATOM 1218 O LEU B 32 49.204 -8.048 3.567 1.00 0.00 O ATOM 1219 CB LEU B 32 47.273 -7.769 0.825 1.00 0.00 C ATOM 1220 CG LEU B 32 46.622 -8.728 -0.181 1.00 0.00 C ATOM 1221 CD1 LEU B 32 46.454 -8.021 -1.528 1.00 0.00 C ATOM 1222 CD2 LEU B 32 47.493 -9.979 -0.369 1.00 0.00 C ATOM 0 H LEU B 32 45.190 -7.991 2.104 1.00 0.00 H new ATOM 0 HA LEU B 32 47.637 -9.405 2.152 1.00 0.00 H new ATOM 0 HB2 LEU B 32 46.742 -6.817 0.830 1.00 0.00 H new ATOM 0 HB3 LEU B 32 48.301 -7.559 0.529 1.00 0.00 H new ATOM 0 HG LEU B 32 45.647 -9.029 0.203 1.00 0.00 H new ATOM 0 HD11 LEU B 32 45.992 -8.703 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU B 32 45.820 -7.143 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU B 32 47.431 -7.713 -1.901 1.00 0.00 H new ATOM 0 HD21 LEU B 32 47.018 -10.649 -1.085 1.00 0.00 H new ATOM 0 HD22 LEU B 32 48.474 -9.686 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU B 32 47.606 -10.491 0.587 1.00 0.00 H new ATOM 1234 N ILE B 33 47.656 -6.425 3.582 1.00 0.00 N ATOM 1235 CA ILE B 33 48.420 -5.579 4.486 1.00 0.00 C ATOM 1236 C ILE B 33 48.670 -6.307 5.800 1.00 0.00 C ATOM 1237 O ILE B 33 49.780 -6.289 6.332 1.00 0.00 O ATOM 1238 CB ILE B 33 47.668 -4.275 4.744 1.00 0.00 C ATOM 1239 CG1 ILE B 33 47.652 -3.439 3.461 1.00 0.00 C ATOM 1240 CG2 ILE B 33 48.371 -3.489 5.852 1.00 0.00 C ATOM 1241 CD1 ILE B 33 46.655 -2.289 3.609 1.00 0.00 C ATOM 0 H ILE B 33 46.759 -6.037 3.291 1.00 0.00 H new ATOM 0 HA ILE B 33 49.380 -5.348 4.024 1.00 0.00 H new ATOM 0 HB ILE B 33 46.646 -4.499 5.050 1.00 0.00 H new ATOM 0 HG12 ILE B 33 48.648 -3.046 3.259 1.00 0.00 H new ATOM 0 HG13 ILE B 33 47.378 -4.064 2.611 1.00 0.00 H new ATOM 0 HG21 ILE B 33 47.834 -2.559 6.035 1.00 0.00 H new ATOM 0 HG22 ILE B 33 48.389 -4.084 6.765 1.00 0.00 H new ATOM 0 HG23 ILE B 33 49.393 -3.264 5.546 1.00 0.00 H new ATOM 0 HD11 ILE B 33 46.646 -1.696 2.695 1.00 0.00 H new ATOM 0 HD12 ILE B 33 45.659 -2.692 3.790 1.00 0.00 H new ATOM 0 HD13 ILE B 33 46.949 -1.658 4.448 1.00 0.00 H new ATOM 1253 N GLU B 34 47.628 -6.946 6.313 1.00 0.00 N ATOM 1254 CA GLU B 34 47.738 -7.685 7.562 1.00 0.00 C ATOM 1255 C GLU B 34 48.747 -8.820 7.416 1.00 0.00 C ATOM 1256 O GLU B 34 49.528 -9.088 8.326 1.00 0.00 O ATOM 1257 CB GLU B 34 46.373 -8.251 7.963 1.00 0.00 C ATOM 1258 CG GLU B 34 46.488 -8.959 9.314 1.00 0.00 C ATOM 1259 CD GLU B 34 45.117 -9.448 9.772 1.00 0.00 C ATOM 1260 OE1 GLU B 34 44.168 -9.274 9.025 1.00 0.00 O ATOM 1261 OE2 GLU B 34 45.036 -9.988 10.864 1.00 0.00 O ATOM 0 H GLU B 34 46.702 -6.968 5.886 1.00 0.00 H new ATOM 0 HA GLU B 34 48.082 -7.004 8.340 1.00 0.00 H new ATOM 0 HB2 GLU B 34 45.638 -7.448 8.023 1.00 0.00 H new ATOM 0 HB3 GLU B 34 46.020 -8.949 7.204 1.00 0.00 H new ATOM 0 HG2 GLU B 34 47.174 -9.802 9.234 1.00 0.00 H new ATOM 0 HG3 GLU B 34 46.905 -8.278 10.055 1.00 0.00 H new ATOM 1268 N ARG B 35 48.719 -9.485 6.264 1.00 0.00 N ATOM 1269 CA ARG B 35 49.635 -10.595 6.021 1.00 0.00 C ATOM 1270 C ARG B 35 51.084 -10.122 6.074 1.00 0.00 C ATOM 1271 O ARG B 35 51.941 -10.797 6.646 1.00 0.00 O ATOM 1272 CB ARG B 35 49.354 -11.199 4.642 1.00 0.00 C ATOM 1273 CG ARG B 35 48.038 -11.982 4.669 1.00 0.00 C ATOM 1274 CD ARG B 35 48.300 -13.428 5.094 1.00 0.00 C ATOM 1275 NE ARG B 35 49.038 -14.131 4.050 1.00 0.00 N ATOM 1276 CZ ARG B 35 49.449 -15.382 4.225 1.00 0.00 C ATOM 1277 NH1 ARG B 35 49.197 -16.001 5.345 1.00 0.00 N ATOM 1278 NH2 ARG B 35 50.106 -15.991 3.275 1.00 0.00 N ATOM 0 H ARG B 35 48.082 -9.279 5.495 1.00 0.00 H new ATOM 0 HA ARG B 35 49.481 -11.345 6.797 1.00 0.00 H new ATOM 0 HB2 ARG B 35 49.300 -10.408 3.894 1.00 0.00 H new ATOM 0 HB3 ARG B 35 50.172 -11.858 4.351 1.00 0.00 H new ATOM 0 HG2 ARG B 35 47.339 -11.512 5.361 1.00 0.00 H new ATOM 0 HG3 ARG B 35 47.573 -11.962 3.683 1.00 0.00 H new ATOM 0 HD2 ARG B 35 48.867 -13.445 6.025 1.00 0.00 H new ATOM 0 HD3 ARG B 35 47.355 -13.936 5.287 1.00 0.00 H new ATOM 0 HE ARG B 35 49.242 -13.654 3.172 1.00 0.00 H new ATOM 0 HH11 ARG B 35 48.684 -15.525 6.087 1.00 0.00 H new ATOM 0 HH12 ARG B 35 49.513 -16.962 5.479 1.00 0.00 H new ATOM 0 HH21 ARG B 35 50.303 -15.506 2.400 1.00 0.00 H new ATOM 0 HH22 ARG B 35 50.422 -16.952 3.408 1.00 0.00 H new ATOM 1292 N TYR B 36 51.355 -8.963 5.484 1.00 0.00 N ATOM 1293 CA TYR B 36 52.710 -8.427 5.484 1.00 0.00 C ATOM 1294 C TYR B 36 53.141 -8.061 6.900 1.00 0.00 C ATOM 1295 O TYR B 36 54.266 -8.339 7.310 1.00 0.00 O ATOM 1296 CB TYR B 36 52.780 -7.184 4.590 1.00 0.00 C ATOM 1297 CG TYR B 36 52.698 -7.597 3.139 1.00 0.00 C ATOM 1298 CD1 TYR B 36 51.571 -7.262 2.379 1.00 0.00 C ATOM 1299 CD2 TYR B 36 53.743 -8.321 2.557 1.00 0.00 C ATOM 1300 CE1 TYR B 36 51.489 -7.650 1.037 1.00 0.00 C ATOM 1301 CE2 TYR B 36 53.665 -8.708 1.213 1.00 0.00 C ATOM 1302 CZ TYR B 36 52.537 -8.373 0.453 1.00 0.00 C ATOM 1303 OH TYR B 36 52.457 -8.759 -0.869 1.00 0.00 O ATOM 0 H TYR B 36 50.665 -8.384 5.006 1.00 0.00 H new ATOM 0 HA TYR B 36 53.383 -9.192 5.097 1.00 0.00 H new ATOM 0 HB2 TYR B 36 51.963 -6.504 4.831 1.00 0.00 H new ATOM 0 HB3 TYR B 36 53.709 -6.644 4.773 1.00 0.00 H new ATOM 0 HD1 TYR B 36 50.764 -6.703 2.829 1.00 0.00 H new ATOM 0 HD2 TYR B 36 54.611 -8.582 3.144 1.00 0.00 H new ATOM 0 HE1 TYR B 36 50.618 -7.392 0.452 1.00 0.00 H new ATOM 0 HE2 TYR B 36 54.474 -9.264 0.763 1.00 0.00 H new ATOM 0 HH TYR B 36 53.360 -8.866 -1.234 1.00 0.00 H new ATOM 1313 N TYR B 37 52.232 -7.442 7.645 1.00 0.00 N ATOM 1314 CA TYR B 37 52.515 -7.041 9.017 1.00 0.00 C ATOM 1315 C TYR B 37 52.812 -8.259 9.882 1.00 0.00 C ATOM 1316 O TYR B 37 53.792 -8.284 10.626 1.00 0.00 O ATOM 1317 CB TYR B 37 51.330 -6.268 9.598 1.00 0.00 C ATOM 1318 CG TYR B 37 51.634 -5.884 11.026 1.00 0.00 C ATOM 1319 CD1 TYR B 37 52.533 -4.845 11.290 1.00 0.00 C ATOM 1320 CD2 TYR B 37 51.017 -6.561 12.083 1.00 0.00 C ATOM 1321 CE1 TYR B 37 52.818 -4.484 12.610 1.00 0.00 C ATOM 1322 CE2 TYR B 37 51.301 -6.200 13.406 1.00 0.00 C ATOM 1323 CZ TYR B 37 52.201 -5.161 13.670 1.00 0.00 C ATOM 1324 OH TYR B 37 52.482 -4.807 14.972 1.00 0.00 O ATOM 0 H TYR B 37 51.294 -7.207 7.322 1.00 0.00 H new ATOM 0 HA TYR B 37 53.393 -6.395 9.010 1.00 0.00 H new ATOM 0 HB2 TYR B 37 51.137 -5.375 9.003 1.00 0.00 H new ATOM 0 HB3 TYR B 37 50.428 -6.879 9.558 1.00 0.00 H new ATOM 0 HD1 TYR B 37 53.007 -4.321 10.473 1.00 0.00 H new ATOM 0 HD2 TYR B 37 50.322 -7.362 11.879 1.00 0.00 H new ATOM 0 HE1 TYR B 37 53.514 -3.683 12.813 1.00 0.00 H new ATOM 0 HE2 TYR B 37 50.826 -6.723 14.222 1.00 0.00 H new ATOM 0 HH TYR B 37 51.644 -4.668 15.461 1.00 0.00 H new ATOM 1334 N HIS B 38 51.956 -9.267 9.776 1.00 0.00 N ATOM 1335 CA HIS B 38 52.129 -10.485 10.553 1.00 0.00 C ATOM 1336 C HIS B 38 53.463 -11.139 10.221 1.00 0.00 C ATOM 1337 O HIS B 38 54.200 -11.557 11.115 1.00 0.00 O ATOM 1338 CB HIS B 38 50.991 -11.463 10.252 1.00 0.00 C ATOM 1339 CG HIS B 38 51.176 -12.716 11.065 1.00 0.00 C ATOM 1340 ND1 HIS B 38 51.886 -13.808 10.589 1.00 0.00 N ATOM 1341 CD2 HIS B 38 50.750 -13.066 12.323 1.00 0.00 C ATOM 1342 CE1 HIS B 38 51.866 -14.753 11.546 1.00 0.00 C ATOM 1343 NE2 HIS B 38 51.187 -14.353 12.624 1.00 0.00 N ATOM 0 H HIS B 38 51.140 -9.265 9.164 1.00 0.00 H new ATOM 0 HA HIS B 38 52.114 -10.227 11.612 1.00 0.00 H new ATOM 0 HB2 HIS B 38 50.031 -11.003 10.487 1.00 0.00 H new ATOM 0 HB3 HIS B 38 50.977 -11.705 9.189 1.00 0.00 H new ATOM 0 HD2 HIS B 38 50.165 -12.438 12.979 1.00 0.00 H new ATOM 0 HE1 HIS B 38 52.341 -15.718 11.454 1.00 0.00 H new ATOM 0 HE2 HIS B 38 51.024 -14.878 13.483 1.00 0.00 H new ATOM 1352 N GLN B 39 53.770 -11.231 8.932 1.00 0.00 N ATOM 1353 CA GLN B 39 55.022 -11.845 8.509 1.00 0.00 C ATOM 1354 C GLN B 39 56.241 -11.068 8.998 1.00 0.00 C ATOM 1355 O GLN B 39 57.226 -11.659 9.443 1.00 0.00 O ATOM 1356 CB GLN B 39 55.096 -11.873 6.980 1.00 0.00 C ATOM 1357 CG GLN B 39 56.370 -12.601 6.542 1.00 0.00 C ATOM 1358 CD GLN B 39 56.401 -12.719 5.022 1.00 0.00 C ATOM 1359 OE1 GLN B 39 55.885 -11.848 4.321 1.00 0.00 O ATOM 1360 NE2 GLN B 39 56.976 -13.752 4.469 1.00 0.00 N ATOM 0 H GLN B 39 53.179 -10.894 8.172 1.00 0.00 H new ATOM 0 HA GLN B 39 55.035 -12.848 8.936 1.00 0.00 H new ATOM 0 HB2 GLN B 39 54.219 -12.376 6.572 1.00 0.00 H new ATOM 0 HB3 GLN B 39 55.092 -10.856 6.587 1.00 0.00 H new ATOM 0 HG2 GLN B 39 57.248 -12.058 6.892 1.00 0.00 H new ATOM 0 HG3 GLN B 39 56.407 -13.592 6.994 1.00 0.00 H new ATOM 0 HE21 GLN B 39 57.402 -14.472 5.053 1.00 0.00 H new ATOM 0 HE22 GLN B 39 56.999 -13.840 3.453 1.00 0.00 H new ATOM 1369 N LEU B 40 56.146 -9.740 8.974 1.00 0.00 N ATOM 1370 CA LEU B 40 57.228 -8.900 9.479 1.00 0.00 C ATOM 1371 C LEU B 40 57.375 -9.048 10.989 1.00 0.00 C ATOM 1372 O LEU B 40 58.487 -9.085 11.515 1.00 0.00 O ATOM 1373 CB LEU B 40 56.963 -7.435 9.128 1.00 0.00 C ATOM 1374 CG LEU B 40 57.145 -7.225 7.619 1.00 0.00 C ATOM 1375 CD1 LEU B 40 56.658 -5.829 7.233 1.00 0.00 C ATOM 1376 CD2 LEU B 40 58.626 -7.369 7.230 1.00 0.00 C ATOM 0 H LEU B 40 55.340 -9.228 8.615 1.00 0.00 H new ATOM 0 HA LEU B 40 58.156 -9.224 9.008 1.00 0.00 H new ATOM 0 HB2 LEU B 40 55.952 -7.157 9.424 1.00 0.00 H new ATOM 0 HB3 LEU B 40 57.646 -6.789 9.680 1.00 0.00 H new ATOM 0 HG LEU B 40 56.564 -7.980 7.090 1.00 0.00 H new ATOM 0 HD11 LEU B 40 56.788 -5.682 6.161 1.00 0.00 H new ATOM 0 HD12 LEU B 40 55.603 -5.728 7.488 1.00 0.00 H new ATOM 0 HD13 LEU B 40 57.235 -5.080 7.775 1.00 0.00 H new ATOM 0 HD21 LEU B 40 58.737 -7.217 6.156 1.00 0.00 H new ATOM 0 HD22 LEU B 40 59.217 -6.625 7.765 1.00 0.00 H new ATOM 0 HD23 LEU B 40 58.976 -8.367 7.493 1.00 0.00 H new ATOM 1388 N THR B 41 56.246 -9.128 11.681 1.00 0.00 N ATOM 1389 CA THR B 41 56.261 -9.267 13.130 1.00 0.00 C ATOM 1390 C THR B 41 56.523 -10.715 13.528 1.00 0.00 C ATOM 1391 O THR B 41 56.783 -11.008 14.696 1.00 0.00 O ATOM 1392 CB THR B 41 54.923 -8.804 13.706 1.00 0.00 C ATOM 1393 OG1 THR B 41 53.881 -9.626 13.196 1.00 0.00 O ATOM 1394 CG2 THR B 41 54.669 -7.348 13.305 1.00 0.00 C ATOM 0 H THR B 41 55.315 -9.099 11.266 1.00 0.00 H new ATOM 0 HA THR B 41 57.063 -8.647 13.532 1.00 0.00 H new ATOM 0 HB THR B 41 54.948 -8.880 14.793 1.00 0.00 H new ATOM 0 HG1 THR B 41 54.237 -10.204 12.489 1.00 0.00 H new ATOM 0 HG21 THR B 41 53.715 -7.019 13.716 1.00 0.00 H new ATOM 0 HG22 THR B 41 55.469 -6.718 13.695 1.00 0.00 H new ATOM 0 HG23 THR B 41 54.642 -7.269 12.218 1.00 0.00 H new ATOM 1402 N GLU B 42 56.456 -11.618 12.550 1.00 0.00 N ATOM 1403 CA GLU B 42 56.692 -13.036 12.808 1.00 0.00 C ATOM 1404 C GLU B 42 57.745 -13.592 11.855 1.00 0.00 C ATOM 1405 O GLU B 42 58.915 -13.723 12.217 1.00 0.00 O ATOM 1406 CB GLU B 42 55.389 -13.821 12.642 1.00 0.00 C ATOM 1407 CG GLU B 42 54.343 -13.282 13.619 1.00 0.00 C ATOM 1408 CD GLU B 42 54.767 -13.587 15.051 1.00 0.00 C ATOM 1409 OE1 GLU B 42 55.624 -14.438 15.225 1.00 0.00 O ATOM 1410 OE2 GLU B 42 54.228 -12.966 15.952 1.00 0.00 O ATOM 0 H GLU B 42 56.242 -11.394 11.578 1.00 0.00 H new ATOM 0 HA GLU B 42 57.055 -13.141 13.831 1.00 0.00 H new ATOM 0 HB2 GLU B 42 55.026 -13.732 11.618 1.00 0.00 H new ATOM 0 HB3 GLU B 42 55.564 -14.881 12.827 1.00 0.00 H new ATOM 0 HG2 GLU B 42 54.228 -12.206 13.486 1.00 0.00 H new ATOM 0 HG3 GLU B 42 53.373 -13.734 13.413 1.00 0.00 H new ATOM 1417 N GLY B 43 57.323 -13.920 10.635 1.00 0.00 N ATOM 1418 CA GLY B 43 58.263 -14.373 9.611 1.00 0.00 C ATOM 1419 C GLY B 43 57.657 -15.580 8.905 1.00 0.00 C ATOM 1420 O GLY B 43 56.435 -15.717 8.827 1.00 0.00 O ATOM 0 H GLY B 43 56.349 -13.882 10.334 1.00 0.00 H new ATOM 0 HA2 GLY B 43 58.460 -13.574 8.896 1.00 0.00 H new ATOM 0 HA3 GLY B 43 59.219 -14.638 10.063 1.00 0.00 H new ATOM 1424 N CYS B 44 58.518 -16.453 8.396 1.00 0.00 N ATOM 1425 CA CYS B 44 58.050 -17.647 7.698 1.00 0.00 C ATOM 1426 C CYS B 44 58.077 -18.858 8.622 1.00 0.00 C ATOM 1427 O CYS B 44 57.499 -19.900 8.313 1.00 0.00 O ATOM 1428 CB CYS B 44 58.924 -17.913 6.471 1.00 0.00 C ATOM 1429 SG CYS B 44 60.675 -17.690 6.895 1.00 0.00 S ATOM 0 H CYS B 44 59.532 -16.360 8.451 1.00 0.00 H new ATOM 0 HA CYS B 44 57.022 -17.476 7.379 1.00 0.00 H new ATOM 0 HB2 CYS B 44 58.756 -18.927 6.107 1.00 0.00 H new ATOM 0 HB3 CYS B 44 58.648 -17.235 5.664 1.00 0.00 H new ATOM 0 HG CYS B 44 61.408 -17.920 5.846 1.00 0.00 H new ATOM 1434 N GLY B 45 58.740 -18.711 9.763 1.00 0.00 N ATOM 1435 CA GLY B 45 58.819 -19.798 10.730 1.00 0.00 C ATOM 1436 C GLY B 45 60.026 -20.685 10.453 1.00 0.00 C ATOM 1437 O GLY B 45 60.459 -21.448 11.316 1.00 0.00 O ATOM 0 H GLY B 45 59.226 -17.858 10.039 1.00 0.00 H new ATOM 0 HA2 GLY B 45 58.887 -19.389 11.738 1.00 0.00 H new ATOM 0 HA3 GLY B 45 57.907 -20.394 10.688 1.00 0.00 H new ATOM 1441 N ASN B 46 60.563 -20.580 9.242 1.00 0.00 N ATOM 1442 CA ASN B 46 61.717 -21.378 8.857 1.00 0.00 C ATOM 1443 C ASN B 46 62.972 -20.876 9.558 1.00 0.00 C ATOM 1444 O ASN B 46 63.157 -19.673 9.739 1.00 0.00 O ATOM 1445 CB ASN B 46 61.914 -21.317 7.340 1.00 0.00 C ATOM 1446 CG ASN B 46 60.676 -21.857 6.631 1.00 0.00 C ATOM 1447 OD1 ASN B 46 60.073 -21.159 5.816 1.00 0.00 O ATOM 1448 ND2 ASN B 46 60.257 -23.065 6.895 1.00 0.00 N ATOM 0 H ASN B 46 60.218 -19.953 8.515 1.00 0.00 H new ATOM 0 HA ASN B 46 61.537 -22.411 9.156 1.00 0.00 H new ATOM 0 HB2 ASN B 46 62.101 -20.289 7.030 1.00 0.00 H new ATOM 0 HB3 ASN B 46 62.790 -21.900 7.055 1.00 0.00 H new ATOM 0 HD21 ASN B 46 59.429 -23.432 6.426 1.00 0.00 H new ATOM 0 HD22 ASN B 46 60.758 -23.642 7.571 1.00 0.00 H new ATOM 1455 N GLU B 47 63.828 -21.810 9.951 1.00 0.00 N ATOM 1456 CA GLU B 47 65.065 -21.457 10.635 1.00 0.00 C ATOM 1457 C GLU B 47 65.950 -20.605 9.731 1.00 0.00 C ATOM 1458 O GLU B 47 66.583 -19.653 10.187 1.00 0.00 O ATOM 1459 CB GLU B 47 65.818 -22.726 11.043 1.00 0.00 C ATOM 1460 CG GLU B 47 65.062 -23.428 12.173 1.00 0.00 C ATOM 1461 CD GLU B 47 65.700 -24.782 12.465 1.00 0.00 C ATOM 1462 OE1 GLU B 47 66.518 -25.213 11.670 1.00 0.00 O ATOM 1463 OE2 GLU B 47 65.360 -25.368 13.480 1.00 0.00 O ATOM 0 H GLU B 47 63.690 -22.811 9.809 1.00 0.00 H new ATOM 0 HA GLU B 47 64.815 -20.882 11.527 1.00 0.00 H new ATOM 0 HB2 GLU B 47 65.916 -23.394 10.187 1.00 0.00 H new ATOM 0 HB3 GLU B 47 66.827 -22.474 11.368 1.00 0.00 H new ATOM 0 HG2 GLU B 47 65.076 -22.809 13.070 1.00 0.00 H new ATOM 0 HG3 GLU B 47 64.017 -23.562 11.894 1.00 0.00 H new ATOM 1470 N ALA B 48 65.983 -20.955 8.447 1.00 0.00 N ATOM 1471 CA ALA B 48 66.787 -20.218 7.477 1.00 0.00 C ATOM 1472 C ALA B 48 65.903 -19.681 6.357 1.00 0.00 C ATOM 1473 O ALA B 48 65.092 -20.414 5.789 1.00 0.00 O ATOM 1474 CB ALA B 48 67.862 -21.133 6.888 1.00 0.00 C ATOM 0 H ALA B 48 65.464 -21.741 8.056 1.00 0.00 H new ATOM 0 HA ALA B 48 67.264 -19.380 7.985 1.00 0.00 H new ATOM 0 HB1 ALA B 48 68.458 -20.576 6.165 1.00 0.00 H new ATOM 0 HB2 ALA B 48 68.508 -21.497 7.687 1.00 0.00 H new ATOM 0 HB3 ALA B 48 67.387 -21.979 6.392 1.00 0.00 H new ATOM 1480 N CYS B 49 66.067 -18.399 6.045 1.00 0.00 N ATOM 1481 CA CYS B 49 65.279 -17.767 4.990 1.00 0.00 C ATOM 1482 C CYS B 49 66.204 -17.095 3.978 1.00 0.00 C ATOM 1483 O CYS B 49 67.082 -16.314 4.348 1.00 0.00 O ATOM 1484 CB CYS B 49 64.331 -16.730 5.594 1.00 0.00 C ATOM 1485 SG CYS B 49 63.259 -16.072 4.299 1.00 0.00 S ATOM 0 H CYS B 49 66.735 -17.779 6.504 1.00 0.00 H new ATOM 0 HA CYS B 49 64.692 -18.533 4.482 1.00 0.00 H new ATOM 0 HB2 CYS B 49 63.731 -17.185 6.382 1.00 0.00 H new ATOM 0 HB3 CYS B 49 64.902 -15.923 6.054 1.00 0.00 H new ATOM 0 HG CYS B 49 62.169 -15.607 4.833 1.00 0.00 H new ATOM 1490 N THR B 50 66.010 -17.416 2.704 1.00 0.00 N ATOM 1491 CA THR B 50 66.842 -16.853 1.645 1.00 0.00 C ATOM 1492 C THR B 50 66.123 -15.703 0.949 1.00 0.00 C ATOM 1493 O THR B 50 66.568 -15.221 -0.093 1.00 0.00 O ATOM 1494 CB THR B 50 67.182 -17.937 0.619 1.00 0.00 C ATOM 1495 OG1 THR B 50 65.982 -18.432 0.041 1.00 0.00 O ATOM 1496 CG2 THR B 50 67.925 -19.084 1.309 1.00 0.00 C ATOM 0 H THR B 50 65.288 -18.060 2.380 1.00 0.00 H new ATOM 0 HA THR B 50 67.760 -16.473 2.094 1.00 0.00 H new ATOM 0 HB THR B 50 67.816 -17.512 -0.160 1.00 0.00 H new ATOM 0 HG1 THR B 50 66.198 -19.125 -0.618 1.00 0.00 H new ATOM 0 HG21 THR B 50 68.166 -19.854 0.576 1.00 0.00 H new ATOM 0 HG22 THR B 50 68.845 -18.706 1.754 1.00 0.00 H new ATOM 0 HG23 THR B 50 67.293 -19.510 2.089 1.00 0.00 H new ATOM 1504 N ASN B 51 65.007 -15.270 1.522 1.00 0.00 N ATOM 1505 CA ASN B 51 64.237 -14.182 0.940 1.00 0.00 C ATOM 1506 C ASN B 51 64.586 -12.863 1.618 1.00 0.00 C ATOM 1507 O ASN B 51 64.405 -12.710 2.827 1.00 0.00 O ATOM 1508 CB ASN B 51 62.742 -14.466 1.084 1.00 0.00 C ATOM 1509 CG ASN B 51 61.932 -13.351 0.436 1.00 0.00 C ATOM 1510 OD1 ASN B 51 61.556 -12.388 1.102 1.00 0.00 O ATOM 1511 ND2 ASN B 51 61.640 -13.426 -0.833 1.00 0.00 N ATOM 0 H ASN B 51 64.618 -15.654 2.383 1.00 0.00 H new ATOM 0 HA ASN B 51 64.484 -14.105 -0.119 1.00 0.00 H new ATOM 0 HB2 ASN B 51 62.499 -15.421 0.618 1.00 0.00 H new ATOM 0 HB3 ASN B 51 62.480 -14.551 2.139 1.00 0.00 H new ATOM 0 HD21 ASN B 51 61.098 -12.684 -1.276 1.00 0.00 H new ATOM 0 HD22 ASN B 51 61.954 -14.226 -1.382 1.00 0.00 H new ATOM 1518 N GLU B 52 65.096 -11.917 0.838 1.00 0.00 N ATOM 1519 CA GLU B 52 65.475 -10.620 1.379 1.00 0.00 C ATOM 1520 C GLU B 52 64.268 -9.923 1.990 1.00 0.00 C ATOM 1521 O GLU B 52 64.376 -9.280 3.034 1.00 0.00 O ATOM 1522 CB GLU B 52 66.064 -9.743 0.273 1.00 0.00 C ATOM 1523 CG GLU B 52 67.419 -10.305 -0.163 1.00 0.00 C ATOM 1524 CD GLU B 52 68.449 -10.091 0.941 1.00 0.00 C ATOM 1525 OE1 GLU B 52 68.172 -9.316 1.841 1.00 0.00 O ATOM 1526 OE2 GLU B 52 69.500 -10.706 0.870 1.00 0.00 O ATOM 0 H GLU B 52 65.255 -12.023 -0.164 1.00 0.00 H new ATOM 0 HA GLU B 52 66.224 -10.777 2.156 1.00 0.00 H new ATOM 0 HB2 GLU B 52 65.383 -9.707 -0.578 1.00 0.00 H new ATOM 0 HB3 GLU B 52 66.182 -8.720 0.630 1.00 0.00 H new ATOM 0 HG2 GLU B 52 67.327 -11.368 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU B 52 67.748 -9.815 -1.079 1.00 0.00 H new ATOM 1533 N PHE B 53 63.118 -10.051 1.338 1.00 0.00 N ATOM 1534 CA PHE B 53 61.910 -9.418 1.845 1.00 0.00 C ATOM 1535 C PHE B 53 61.116 -10.384 2.721 1.00 0.00 C ATOM 1536 O PHE B 53 59.957 -10.685 2.436 1.00 0.00 O ATOM 1537 CB PHE B 53 61.034 -8.961 0.675 1.00 0.00 C ATOM 1538 CG PHE B 53 61.796 -7.963 -0.164 1.00 0.00 C ATOM 1539 CD1 PHE B 53 62.392 -8.370 -1.365 1.00 0.00 C ATOM 1540 CD2 PHE B 53 61.916 -6.637 0.263 1.00 0.00 C ATOM 1541 CE1 PHE B 53 63.104 -7.447 -2.140 1.00 0.00 C ATOM 1542 CE2 PHE B 53 62.627 -5.713 -0.513 1.00 0.00 C ATOM 1543 CZ PHE B 53 63.224 -6.119 -1.713 1.00 0.00 C ATOM 0 H PHE B 53 62.998 -10.578 0.473 1.00 0.00 H new ATOM 0 HA PHE B 53 62.203 -8.558 2.447 1.00 0.00 H new ATOM 0 HB2 PHE B 53 60.745 -9.818 0.067 1.00 0.00 H new ATOM 0 HB3 PHE B 53 60.115 -8.511 1.049 1.00 0.00 H new ATOM 0 HD1 PHE B 53 62.302 -9.395 -1.693 1.00 0.00 H new ATOM 0 HD2 PHE B 53 61.460 -6.325 1.191 1.00 0.00 H new ATOM 0 HE1 PHE B 53 63.561 -7.759 -3.067 1.00 0.00 H new ATOM 0 HE2 PHE B 53 62.715 -4.687 -0.186 1.00 0.00 H new ATOM 0 HZ PHE B 53 63.777 -5.408 -2.309 1.00 0.00 H new ATOM 1553 N CYS B 54 61.744 -10.863 3.792 1.00 0.00 N ATOM 1554 CA CYS B 54 61.075 -11.785 4.700 1.00 0.00 C ATOM 1555 C CYS B 54 61.746 -11.761 6.068 1.00 0.00 C ATOM 1556 O CYS B 54 62.971 -11.712 6.166 1.00 0.00 O ATOM 1557 CB CYS B 54 61.125 -13.201 4.130 1.00 0.00 C ATOM 1558 SG CYS B 54 59.998 -14.271 5.060 1.00 0.00 S ATOM 0 H CYS B 54 62.703 -10.631 4.049 1.00 0.00 H new ATOM 0 HA CYS B 54 60.036 -11.475 4.810 1.00 0.00 H new ATOM 0 HB2 CYS B 54 60.845 -13.190 3.077 1.00 0.00 H new ATOM 0 HB3 CYS B 54 62.141 -13.591 4.186 1.00 0.00 H new ATOM 0 HG CYS B 54 60.041 -15.475 4.572 1.00 0.00 H new ATOM 1563 N ALA B 55 60.937 -11.802 7.119 1.00 0.00 N ATOM 1564 CA ALA B 55 61.464 -11.791 8.475 1.00 0.00 C ATOM 1565 C ALA B 55 62.227 -13.078 8.754 1.00 0.00 C ATOM 1566 O ALA B 55 62.220 -14.005 7.945 1.00 0.00 O ATOM 1567 CB ALA B 55 60.327 -11.646 9.481 1.00 0.00 C ATOM 0 H ALA B 55 59.920 -11.843 7.058 1.00 0.00 H new ATOM 0 HA ALA B 55 62.142 -10.943 8.575 1.00 0.00 H new ATOM 0 HB1 ALA B 55 60.734 -11.639 10.492 1.00 0.00 H new ATOM 0 HB2 ALA B 55 59.796 -10.712 9.297 1.00 0.00 H new ATOM 0 HB3 ALA B 55 59.637 -12.483 9.374 1.00 0.00 H new ATOM 1573 N SER B 56 62.893 -13.113 9.898 1.00 0.00 N ATOM 1574 CA SER B 56 63.675 -14.277 10.292 1.00 0.00 C ATOM 1575 C SER B 56 64.817 -14.493 9.314 1.00 0.00 C ATOM 1576 O SER B 56 65.374 -15.585 9.232 1.00 0.00 O ATOM 1577 CB SER B 56 62.797 -15.528 10.329 1.00 0.00 C ATOM 1578 OG SER B 56 61.611 -15.244 11.055 1.00 0.00 O ATOM 0 H SER B 56 62.908 -12.347 10.572 1.00 0.00 H new ATOM 0 HA SER B 56 64.077 -14.096 11.289 1.00 0.00 H new ATOM 0 HB2 SER B 56 62.550 -15.844 9.315 1.00 0.00 H new ATOM 0 HB3 SER B 56 63.336 -16.352 10.797 1.00 0.00 H new ATOM 0 HG SER B 56 61.044 -16.043 11.080 1.00 0.00 H new ATOM 1584 N CYS B 57 65.162 -13.444 8.574 1.00 0.00 N ATOM 1585 CA CYS B 57 66.243 -13.534 7.602 1.00 0.00 C ATOM 1586 C CYS B 57 67.489 -12.785 8.104 1.00 0.00 C ATOM 1587 O CYS B 57 67.381 -11.638 8.539 1.00 0.00 O ATOM 1588 CB CYS B 57 65.807 -12.950 6.257 1.00 0.00 C ATOM 1589 SG CYS B 57 67.199 -13.022 5.110 1.00 0.00 S ATOM 0 H CYS B 57 64.713 -12.530 8.628 1.00 0.00 H new ATOM 0 HA CYS B 57 66.489 -14.588 7.472 1.00 0.00 H new ATOM 0 HB2 CYS B 57 64.961 -13.511 5.859 1.00 0.00 H new ATOM 0 HB3 CYS B 57 65.475 -11.919 6.383 1.00 0.00 H new ATOM 0 HG CYS B 57 67.439 -11.833 4.643 1.00 0.00 H new ATOM 1595 N PRO B 58 68.669 -13.388 8.057 1.00 0.00 N ATOM 1596 CA PRO B 58 69.925 -12.713 8.525 1.00 0.00 C ATOM 1597 C PRO B 58 70.069 -11.295 7.965 1.00 0.00 C ATOM 1598 O PRO B 58 70.562 -10.397 8.650 1.00 0.00 O ATOM 1599 CB PRO B 58 71.038 -13.602 7.961 1.00 0.00 C ATOM 1600 CG PRO B 58 70.442 -14.962 7.847 1.00 0.00 C ATOM 1601 CD PRO B 58 68.946 -14.765 7.584 1.00 0.00 C ATOM 0 HA PRO B 58 69.942 -12.605 9.610 1.00 0.00 H new ATOM 0 HB2 PRO B 58 71.376 -13.239 6.990 1.00 0.00 H new ATOM 0 HB3 PRO B 58 71.907 -13.608 8.619 1.00 0.00 H new ATOM 0 HG2 PRO B 58 70.907 -15.522 7.036 1.00 0.00 H new ATOM 0 HG3 PRO B 58 70.602 -15.533 8.761 1.00 0.00 H new ATOM 0 HD2 PRO B 58 68.710 -14.877 6.526 1.00 0.00 H new ATOM 0 HD3 PRO B 58 68.347 -15.499 8.123 1.00 0.00 H new ATOM 1609 N THR B 59 69.643 -11.101 6.720 1.00 0.00 N ATOM 1610 CA THR B 59 69.735 -9.788 6.085 1.00 0.00 C ATOM 1611 C THR B 59 68.618 -8.868 6.575 1.00 0.00 C ATOM 1612 O THR B 59 68.704 -7.647 6.448 1.00 0.00 O ATOM 1613 CB THR B 59 69.640 -9.936 4.565 1.00 0.00 C ATOM 1614 OG1 THR B 59 68.371 -10.473 4.222 1.00 0.00 O ATOM 1615 CG2 THR B 59 70.742 -10.875 4.073 1.00 0.00 C ATOM 0 H THR B 59 69.234 -11.829 6.134 1.00 0.00 H new ATOM 0 HA THR B 59 70.695 -9.347 6.352 1.00 0.00 H new ATOM 0 HB THR B 59 69.761 -8.959 4.096 1.00 0.00 H new ATOM 0 HG1 THR B 59 67.999 -9.975 3.464 1.00 0.00 H new ATOM 0 HG21 THR B 59 70.674 -10.980 2.990 1.00 0.00 H new ATOM 0 HG22 THR B 59 71.716 -10.463 4.337 1.00 0.00 H new ATOM 0 HG23 THR B 59 70.623 -11.852 4.541 1.00 0.00 H new ATOM 1623 N PHE B 60 67.572 -9.468 7.134 1.00 0.00 N ATOM 1624 CA PHE B 60 66.504 -8.687 7.763 1.00 0.00 C ATOM 1625 C PHE B 60 66.720 -8.343 9.230 1.00 0.00 C ATOM 1626 O PHE B 60 67.045 -9.210 10.040 1.00 0.00 O ATOM 1627 CB PHE B 60 65.209 -9.487 7.621 1.00 0.00 C ATOM 1628 CG PHE B 60 64.064 -8.706 8.216 1.00 0.00 C ATOM 1629 CD1 PHE B 60 63.456 -7.683 7.478 1.00 0.00 C ATOM 1630 CD2 PHE B 60 63.611 -9.003 9.506 1.00 0.00 C ATOM 1631 CE1 PHE B 60 62.393 -6.959 8.032 1.00 0.00 C ATOM 1632 CE2 PHE B 60 62.549 -8.280 10.060 1.00 0.00 C ATOM 1633 CZ PHE B 60 61.940 -7.256 9.323 1.00 0.00 C ATOM 0 H PHE B 60 67.438 -10.479 7.167 1.00 0.00 H new ATOM 0 HA PHE B 60 66.476 -7.725 7.251 1.00 0.00 H new ATOM 0 HB2 PHE B 60 65.012 -9.696 6.569 1.00 0.00 H new ATOM 0 HB3 PHE B 60 65.307 -10.449 8.124 1.00 0.00 H new ATOM 0 HD1 PHE B 60 63.806 -7.453 6.483 1.00 0.00 H new ATOM 0 HD2 PHE B 60 64.082 -9.791 10.075 1.00 0.00 H new ATOM 0 HE1 PHE B 60 61.922 -6.171 7.463 1.00 0.00 H new ATOM 0 HE2 PHE B 60 62.199 -8.511 11.055 1.00 0.00 H new ATOM 0 HZ PHE B 60 61.121 -6.696 9.751 1.00 0.00 H new ATOM 1643 N LEU B 61 66.534 -7.073 9.565 1.00 0.00 N ATOM 1644 CA LEU B 61 66.708 -6.622 10.940 1.00 0.00 C ATOM 1645 C LEU B 61 65.355 -6.510 11.632 1.00 0.00 C ATOM 1646 O LEU B 61 64.411 -5.939 11.087 1.00 0.00 O ATOM 1647 CB LEU B 61 67.423 -5.265 10.968 1.00 0.00 C ATOM 1648 CG LEU B 61 67.600 -4.785 12.417 1.00 0.00 C ATOM 1649 CD1 LEU B 61 68.448 -5.792 13.199 1.00 0.00 C ATOM 1650 CD2 LEU B 61 68.305 -3.425 12.420 1.00 0.00 C ATOM 0 H LEU B 61 66.264 -6.341 8.908 1.00 0.00 H new ATOM 0 HA LEU B 61 67.318 -7.353 11.471 1.00 0.00 H new ATOM 0 HB2 LEU B 61 68.396 -5.349 10.484 1.00 0.00 H new ATOM 0 HB3 LEU B 61 66.848 -4.532 10.402 1.00 0.00 H new ATOM 0 HG LEU B 61 66.620 -4.695 12.886 1.00 0.00 H new ATOM 0 HD11 LEU B 61 68.570 -5.446 14.225 1.00 0.00 H new ATOM 0 HD12 LEU B 61 67.952 -6.762 13.200 1.00 0.00 H new ATOM 0 HD13 LEU B 61 69.427 -5.886 12.729 1.00 0.00 H new ATOM 0 HD21 LEU B 61 68.431 -3.083 13.447 1.00 0.00 H new ATOM 0 HD22 LEU B 61 69.282 -3.521 11.947 1.00 0.00 H new ATOM 0 HD23 LEU B 61 67.704 -2.702 11.868 1.00 0.00 H new ATOM 1662 N ARG B 62 65.274 -7.059 12.838 1.00 0.00 N ATOM 1663 CA ARG B 62 64.037 -7.018 13.603 1.00 0.00 C ATOM 1664 C ARG B 62 63.594 -5.574 13.810 1.00 0.00 C ATOM 1665 O ARG B 62 64.414 -4.685 14.044 1.00 0.00 O ATOM 1666 CB ARG B 62 64.253 -7.679 14.968 1.00 0.00 C ATOM 1667 CG ARG B 62 64.646 -9.151 14.792 1.00 0.00 C ATOM 1668 CD ARG B 62 63.395 -10.011 14.587 1.00 0.00 C ATOM 1669 NE ARG B 62 63.766 -11.418 14.480 1.00 0.00 N ATOM 1670 CZ ARG B 62 62.842 -12.352 14.286 1.00 0.00 C ATOM 1671 NH1 ARG B 62 61.587 -12.014 14.191 1.00 0.00 N ATOM 1672 NH2 ARG B 62 63.192 -13.606 14.191 1.00 0.00 N ATOM 0 H ARG B 62 66.046 -7.535 13.304 1.00 0.00 H new ATOM 0 HA ARG B 62 63.265 -7.555 13.051 1.00 0.00 H new ATOM 0 HB2 ARG B 62 65.033 -7.151 15.516 1.00 0.00 H new ATOM 0 HB3 ARG B 62 63.342 -7.608 15.562 1.00 0.00 H new ATOM 0 HG2 ARG B 62 65.313 -9.257 13.937 1.00 0.00 H new ATOM 0 HG3 ARG B 62 65.194 -9.496 15.669 1.00 0.00 H new ATOM 0 HD2 ARG B 62 62.707 -9.871 15.421 1.00 0.00 H new ATOM 0 HD3 ARG B 62 62.871 -9.695 13.685 1.00 0.00 H new ATOM 0 HE ARG B 62 64.747 -11.688 14.555 1.00 0.00 H new ATOM 0 HH11 ARG B 62 61.316 -11.034 14.266 1.00 0.00 H new ATOM 0 HH12 ARG B 62 60.876 -12.730 14.042 1.00 0.00 H new ATOM 0 HH21 ARG B 62 64.175 -13.868 14.266 1.00 0.00 H new ATOM 0 HH22 ARG B 62 62.483 -14.324 14.042 1.00 0.00 H new ATOM 1686 N MET B 63 62.290 -5.355 13.713 1.00 0.00 N ATOM 1687 CA MET B 63 61.724 -4.021 13.879 1.00 0.00 C ATOM 1688 C MET B 63 60.548 -4.047 14.854 1.00 0.00 C ATOM 1689 O MET B 63 59.977 -5.103 15.129 1.00 0.00 O ATOM 1690 CB MET B 63 61.259 -3.481 12.524 1.00 0.00 C ATOM 1691 CG MET B 63 62.165 -2.326 12.089 1.00 0.00 C ATOM 1692 SD MET B 63 63.858 -2.931 11.870 1.00 0.00 S ATOM 1693 CE MET B 63 63.682 -3.503 10.162 1.00 0.00 C ATOM 0 H MET B 63 61.603 -6.084 13.520 1.00 0.00 H new ATOM 0 HA MET B 63 62.497 -3.368 14.286 1.00 0.00 H new ATOM 0 HB2 MET B 63 61.283 -4.275 11.778 1.00 0.00 H new ATOM 0 HB3 MET B 63 60.226 -3.139 12.593 1.00 0.00 H new ATOM 0 HG2 MET B 63 61.799 -1.894 11.157 1.00 0.00 H new ATOM 0 HG3 MET B 63 62.145 -1.533 12.837 1.00 0.00 H new ATOM 0 HE1 MET B 63 64.633 -3.906 9.813 1.00 0.00 H new ATOM 0 HE2 MET B 63 62.920 -4.281 10.115 1.00 0.00 H new ATOM 0 HE3 MET B 63 63.387 -2.668 9.527 1.00 0.00 H new ATOM 1703 N ASP B 64 60.194 -2.873 15.367 1.00 0.00 N ATOM 1704 CA ASP B 64 59.088 -2.748 16.308 1.00 0.00 C ATOM 1705 C ASP B 64 57.765 -2.919 15.578 1.00 0.00 C ATOM 1706 O ASP B 64 57.722 -2.954 14.352 1.00 0.00 O ATOM 1707 CB ASP B 64 59.157 -1.402 17.031 1.00 0.00 C ATOM 1708 CG ASP B 64 60.336 -1.397 17.999 1.00 0.00 C ATOM 1709 OD1 ASP B 64 60.871 -2.462 18.255 1.00 0.00 O ATOM 1710 OD2 ASP B 64 60.685 -0.327 18.470 1.00 0.00 O ATOM 0 H ASP B 64 60.659 -1.993 15.146 1.00 0.00 H new ATOM 0 HA ASP B 64 59.164 -3.533 17.060 1.00 0.00 H new ATOM 0 HB2 ASP B 64 59.265 -0.595 16.307 1.00 0.00 H new ATOM 0 HB3 ASP B 64 58.229 -1.222 17.573 1.00 0.00 H new ATOM 1715 N ASN B 65 56.684 -2.994 16.340 1.00 0.00 N ATOM 1716 CA ASN B 65 55.363 -3.130 15.748 1.00 0.00 C ATOM 1717 C ASN B 65 55.025 -1.917 14.894 1.00 0.00 C ATOM 1718 O ASN B 65 54.485 -2.049 13.798 1.00 0.00 O ATOM 1719 CB ASN B 65 54.313 -3.268 16.853 1.00 0.00 C ATOM 1720 CG ASN B 65 54.432 -4.626 17.535 1.00 0.00 C ATOM 1721 OD1 ASN B 65 55.034 -5.550 16.988 1.00 0.00 O ATOM 1722 ND2 ASN B 65 53.882 -4.804 18.706 1.00 0.00 N ATOM 0 H ASN B 65 56.695 -2.963 17.359 1.00 0.00 H new ATOM 0 HA ASN B 65 55.363 -4.019 15.117 1.00 0.00 H new ATOM 0 HB2 ASN B 65 54.442 -2.473 17.587 1.00 0.00 H new ATOM 0 HB3 ASN B 65 53.315 -3.153 16.431 1.00 0.00 H new ATOM 0 HD21 ASN B 65 53.951 -5.710 19.169 1.00 0.00 H new ATOM 0 HD22 ASN B 65 53.384 -4.037 19.157 1.00 0.00 H new ATOM 1729 N ASN B 66 55.348 -0.735 15.396 1.00 0.00 N ATOM 1730 CA ASN B 66 55.071 0.486 14.659 1.00 0.00 C ATOM 1731 C ASN B 66 55.881 0.520 13.370 1.00 0.00 C ATOM 1732 O ASN B 66 55.354 0.807 12.295 1.00 0.00 O ATOM 1733 CB ASN B 66 55.432 1.702 15.518 1.00 0.00 C ATOM 1734 CG ASN B 66 56.605 1.369 16.432 1.00 0.00 C ATOM 1735 OD1 ASN B 66 56.381 0.829 17.597 1.00 0.00 O flip ATOM 1736 ND2 ASN B 66 57.761 1.599 16.069 1.00 0.00 N flip ATOM 0 H ASN B 66 55.797 -0.596 16.301 1.00 0.00 H new ATOM 0 HA ASN B 66 54.009 0.513 14.414 1.00 0.00 H new ATOM 0 HB2 ASN B 66 55.688 2.546 14.878 1.00 0.00 H new ATOM 0 HB3 ASN B 66 54.571 2.004 16.114 1.00 0.00 H new ATOM 0 HD21 ASN B 66 57.935 2.022 15.157 1.00 0.00 H new ATOM 0 HD22 ASN B 66 58.543 1.367 16.681 1.00 0.00 H new ATOM 1743 N ALA B 67 57.165 0.203 13.482 1.00 0.00 N ATOM 1744 CA ALA B 67 58.040 0.189 12.320 1.00 0.00 C ATOM 1745 C ALA B 67 57.603 -0.891 11.343 1.00 0.00 C ATOM 1746 O ALA B 67 57.648 -0.704 10.126 1.00 0.00 O ATOM 1747 CB ALA B 67 59.489 -0.046 12.747 1.00 0.00 C ATOM 0 H ALA B 67 57.620 -0.046 14.360 1.00 0.00 H new ATOM 0 HA ALA B 67 57.973 1.158 11.826 1.00 0.00 H new ATOM 0 HB1 ALA B 67 60.131 -0.054 11.866 1.00 0.00 H new ATOM 0 HB2 ALA B 67 59.804 0.752 13.419 1.00 0.00 H new ATOM 0 HB3 ALA B 67 59.566 -1.004 13.261 1.00 0.00 H new ATOM 1753 N ALA B 68 57.178 -2.023 11.887 1.00 0.00 N ATOM 1754 CA ALA B 68 56.779 -3.147 11.059 1.00 0.00 C ATOM 1755 C ALA B 68 55.535 -2.751 10.271 1.00 0.00 C ATOM 1756 O ALA B 68 55.387 -3.110 9.104 1.00 0.00 O ATOM 1757 CB ALA B 68 56.478 -4.358 11.942 1.00 0.00 C ATOM 0 H ALA B 68 57.102 -2.185 12.891 1.00 0.00 H new ATOM 0 HA ALA B 68 57.583 -3.410 10.371 1.00 0.00 H new ATOM 0 HB1 ALA B 68 56.179 -5.199 11.316 1.00 0.00 H new ATOM 0 HB2 ALA B 68 57.370 -4.626 12.508 1.00 0.00 H new ATOM 0 HB3 ALA B 68 55.670 -4.114 12.632 1.00 0.00 H new ATOM 1763 N ALA B 69 54.643 -2.008 10.919 1.00 0.00 N ATOM 1764 CA ALA B 69 53.413 -1.575 10.262 1.00 0.00 C ATOM 1765 C ALA B 69 53.724 -0.717 9.040 1.00 0.00 C ATOM 1766 O ALA B 69 53.095 -0.863 7.991 1.00 0.00 O ATOM 1767 CB ALA B 69 52.563 -0.767 11.241 1.00 0.00 C ATOM 0 H ALA B 69 54.745 -1.696 11.885 1.00 0.00 H new ATOM 0 HA ALA B 69 52.867 -2.461 9.939 1.00 0.00 H new ATOM 0 HB1 ALA B 69 51.646 -0.446 10.747 1.00 0.00 H new ATOM 0 HB2 ALA B 69 52.313 -1.386 12.103 1.00 0.00 H new ATOM 0 HB3 ALA B 69 53.122 0.108 11.572 1.00 0.00 H new ATOM 1773 N ILE B 70 54.698 0.176 9.177 1.00 0.00 N ATOM 1774 CA ILE B 70 55.078 1.054 8.074 1.00 0.00 C ATOM 1775 C ILE B 70 55.681 0.233 6.941 1.00 0.00 C ATOM 1776 O ILE B 70 55.375 0.452 5.768 1.00 0.00 O ATOM 1777 CB ILE B 70 56.096 2.094 8.554 1.00 0.00 C ATOM 1778 CG1 ILE B 70 55.499 2.918 9.706 1.00 0.00 C ATOM 1779 CG2 ILE B 70 56.486 3.026 7.401 1.00 0.00 C ATOM 1780 CD1 ILE B 70 54.169 3.552 9.298 1.00 0.00 C ATOM 0 H ILE B 70 55.236 0.311 10.033 1.00 0.00 H new ATOM 0 HA ILE B 70 54.187 1.568 7.712 1.00 0.00 H new ATOM 0 HB ILE B 70 56.987 1.575 8.907 1.00 0.00 H new ATOM 0 HG12 ILE B 70 55.349 2.278 10.575 1.00 0.00 H new ATOM 0 HG13 ILE B 70 56.201 3.697 10.002 1.00 0.00 H new ATOM 0 HG21 ILE B 70 57.210 3.760 7.755 1.00 0.00 H new ATOM 0 HG22 ILE B 70 56.928 2.441 6.594 1.00 0.00 H new ATOM 0 HG23 ILE B 70 55.598 3.540 7.033 1.00 0.00 H new ATOM 0 HD11 ILE B 70 53.770 4.129 10.132 1.00 0.00 H new ATOM 0 HD12 ILE B 70 54.327 4.211 8.444 1.00 0.00 H new ATOM 0 HD13 ILE B 70 53.461 2.769 9.026 1.00 0.00 H new ATOM 1792 N LYS B 71 56.535 -0.714 7.301 1.00 0.00 N ATOM 1793 CA LYS B 71 57.164 -1.563 6.304 1.00 0.00 C ATOM 1794 C LYS B 71 56.103 -2.372 5.573 1.00 0.00 C ATOM 1795 O LYS B 71 56.173 -2.555 4.358 1.00 0.00 O ATOM 1796 CB LYS B 71 58.163 -2.508 6.971 1.00 0.00 C ATOM 1797 CG LYS B 71 59.369 -1.701 7.463 1.00 0.00 C ATOM 1798 CD LYS B 71 60.374 -2.626 8.161 1.00 0.00 C ATOM 1799 CE LYS B 71 61.303 -3.273 7.128 1.00 0.00 C ATOM 1800 NZ LYS B 71 62.160 -2.220 6.513 1.00 0.00 N ATOM 0 H LYS B 71 56.805 -0.911 8.265 1.00 0.00 H new ATOM 0 HA LYS B 71 57.694 -0.934 5.589 1.00 0.00 H new ATOM 0 HB2 LYS B 71 57.691 -3.025 7.807 1.00 0.00 H new ATOM 0 HB3 LYS B 71 58.486 -3.273 6.265 1.00 0.00 H new ATOM 0 HG2 LYS B 71 59.848 -1.199 6.622 1.00 0.00 H new ATOM 0 HG3 LYS B 71 59.039 -0.924 8.152 1.00 0.00 H new ATOM 0 HD2 LYS B 71 60.961 -2.059 8.884 1.00 0.00 H new ATOM 0 HD3 LYS B 71 59.843 -3.398 8.718 1.00 0.00 H new ATOM 0 HE2 LYS B 71 61.924 -4.032 7.604 1.00 0.00 H new ATOM 0 HE3 LYS B 71 60.717 -3.777 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 63.052 -2.644 6.188 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 61.663 -1.797 5.704 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 62.364 -1.483 7.218 1.00 0.00 H new ATOM 1814 N ALA B 72 55.116 -2.847 6.323 1.00 0.00 N ATOM 1815 CA ALA B 72 54.041 -3.629 5.734 1.00 0.00 C ATOM 1816 C ALA B 72 53.287 -2.797 4.704 1.00 0.00 C ATOM 1817 O ALA B 72 52.949 -3.291 3.626 1.00 0.00 O ATOM 1818 CB ALA B 72 53.068 -4.091 6.819 1.00 0.00 C ATOM 0 H ALA B 72 55.039 -2.705 7.330 1.00 0.00 H new ATOM 0 HA ALA B 72 54.478 -4.500 5.245 1.00 0.00 H new ATOM 0 HB1 ALA B 72 52.268 -4.675 6.365 1.00 0.00 H new ATOM 0 HB2 ALA B 72 53.599 -4.706 7.546 1.00 0.00 H new ATOM 0 HB3 ALA B 72 52.643 -3.222 7.321 1.00 0.00 H new ATOM 1824 N LEU B 73 53.028 -1.532 5.032 1.00 0.00 N ATOM 1825 CA LEU B 73 52.310 -0.663 4.104 1.00 0.00 C ATOM 1826 C LEU B 73 53.117 -0.468 2.824 1.00 0.00 C ATOM 1827 O LEU B 73 52.572 -0.515 1.720 1.00 0.00 O ATOM 1828 CB LEU B 73 52.040 0.695 4.762 1.00 0.00 C ATOM 1829 CG LEU B 73 51.283 1.618 3.795 1.00 0.00 C ATOM 1830 CD1 LEU B 73 49.935 0.995 3.425 1.00 0.00 C ATOM 1831 CD2 LEU B 73 51.045 2.971 4.470 1.00 0.00 C ATOM 0 H LEU B 73 53.298 -1.094 5.913 1.00 0.00 H new ATOM 0 HA LEU B 73 51.360 -1.134 3.850 1.00 0.00 H new ATOM 0 HB2 LEU B 73 51.457 0.556 5.673 1.00 0.00 H new ATOM 0 HB3 LEU B 73 52.982 1.158 5.054 1.00 0.00 H new ATOM 0 HG LEU B 73 51.876 1.753 2.891 1.00 0.00 H new ATOM 0 HD11 LEU B 73 49.405 1.656 2.739 1.00 0.00 H new ATOM 0 HD12 LEU B 73 50.100 0.030 2.945 1.00 0.00 H new ATOM 0 HD13 LEU B 73 49.339 0.855 4.327 1.00 0.00 H new ATOM 0 HD21 LEU B 73 50.508 3.629 3.787 1.00 0.00 H new ATOM 0 HD22 LEU B 73 50.454 2.827 5.375 1.00 0.00 H new ATOM 0 HD23 LEU B 73 52.003 3.422 4.730 1.00 0.00 H new ATOM 1843 N GLU B 74 54.412 -0.231 2.980 1.00 0.00 N ATOM 1844 CA GLU B 74 55.279 -0.010 1.828 1.00 0.00 C ATOM 1845 C GLU B 74 55.324 -1.246 0.937 1.00 0.00 C ATOM 1846 O GLU B 74 55.302 -1.132 -0.284 1.00 0.00 O ATOM 1847 CB GLU B 74 56.690 0.331 2.307 1.00 0.00 C ATOM 1848 CG GLU B 74 56.694 1.722 2.946 1.00 0.00 C ATOM 1849 CD GLU B 74 58.033 1.978 3.630 1.00 0.00 C ATOM 1850 OE1 GLU B 74 58.781 1.029 3.795 1.00 0.00 O ATOM 1851 OE2 GLU B 74 58.288 3.118 3.982 1.00 0.00 O ATOM 0 H GLU B 74 54.883 -0.187 3.883 1.00 0.00 H new ATOM 0 HA GLU B 74 54.877 0.819 1.246 1.00 0.00 H new ATOM 0 HB2 GLU B 74 57.030 -0.412 3.028 1.00 0.00 H new ATOM 0 HB3 GLU B 74 57.386 0.303 1.469 1.00 0.00 H new ATOM 0 HG2 GLU B 74 56.514 2.481 2.185 1.00 0.00 H new ATOM 0 HG3 GLU B 74 55.885 1.800 3.672 1.00 0.00 H new ATOM 1858 N LEU B 75 55.382 -2.421 1.558 1.00 0.00 N ATOM 1859 CA LEU B 75 55.427 -3.680 0.810 1.00 0.00 C ATOM 1860 C LEU B 75 54.156 -3.930 0.001 1.00 0.00 C ATOM 1861 O LEU B 75 54.205 -4.452 -1.114 1.00 0.00 O ATOM 1862 CB LEU B 75 55.536 -4.845 1.800 1.00 0.00 C ATOM 1863 CG LEU B 75 56.939 -4.872 2.428 1.00 0.00 C ATOM 1864 CD1 LEU B 75 56.894 -5.660 3.737 1.00 0.00 C ATOM 1865 CD2 LEU B 75 57.947 -5.555 1.490 1.00 0.00 C ATOM 0 H LEU B 75 55.399 -2.531 2.572 1.00 0.00 H new ATOM 0 HA LEU B 75 56.280 -3.611 0.135 1.00 0.00 H new ATOM 0 HB2 LEU B 75 54.781 -4.742 2.580 1.00 0.00 H new ATOM 0 HB3 LEU B 75 55.339 -5.787 1.289 1.00 0.00 H new ATOM 0 HG LEU B 75 57.252 -3.843 2.605 1.00 0.00 H new ATOM 0 HD11 LEU B 75 57.888 -5.680 4.184 1.00 0.00 H new ATOM 0 HD12 LEU B 75 56.196 -5.183 4.425 1.00 0.00 H new ATOM 0 HD13 LEU B 75 56.565 -6.680 3.537 1.00 0.00 H new ATOM 0 HD21 LEU B 75 58.932 -5.561 1.957 1.00 0.00 H new ATOM 0 HD22 LEU B 75 57.629 -6.580 1.299 1.00 0.00 H new ATOM 0 HD23 LEU B 75 57.996 -5.009 0.548 1.00 0.00 H new ATOM 1877 N TYR B 76 53.033 -3.470 0.534 1.00 0.00 N ATOM 1878 CA TYR B 76 51.772 -3.554 -0.184 1.00 0.00 C ATOM 1879 C TYR B 76 51.819 -2.673 -1.427 1.00 0.00 C ATOM 1880 O TYR B 76 51.348 -3.059 -2.495 1.00 0.00 O ATOM 1881 CB TYR B 76 50.616 -3.132 0.720 1.00 0.00 C ATOM 1882 CG TYR B 76 49.325 -3.204 -0.056 1.00 0.00 C ATOM 1883 CD1 TYR B 76 48.708 -4.440 -0.285 1.00 0.00 C ATOM 1884 CD2 TYR B 76 48.748 -2.031 -0.551 1.00 0.00 C ATOM 1885 CE1 TYR B 76 47.512 -4.501 -1.009 1.00 0.00 C ATOM 1886 CE2 TYR B 76 47.552 -2.091 -1.276 1.00 0.00 C ATOM 1887 CZ TYR B 76 46.934 -3.326 -1.504 1.00 0.00 C ATOM 1888 OH TYR B 76 45.755 -3.388 -2.219 1.00 0.00 O ATOM 0 H TYR B 76 52.970 -3.037 1.456 1.00 0.00 H new ATOM 0 HA TYR B 76 51.612 -4.588 -0.491 1.00 0.00 H new ATOM 0 HB2 TYR B 76 50.566 -3.783 1.593 1.00 0.00 H new ATOM 0 HB3 TYR B 76 50.777 -2.118 1.087 1.00 0.00 H new ATOM 0 HD1 TYR B 76 49.155 -5.346 0.097 1.00 0.00 H new ATOM 0 HD2 TYR B 76 49.225 -1.078 -0.374 1.00 0.00 H new ATOM 0 HE1 TYR B 76 47.035 -5.454 -1.186 1.00 0.00 H new ATOM 0 HE2 TYR B 76 47.106 -1.185 -1.659 1.00 0.00 H new ATOM 0 HH TYR B 76 45.224 -4.151 -1.909 1.00 0.00 H new ATOM 1898 N LYS B 77 52.386 -1.483 -1.270 1.00 0.00 N ATOM 1899 CA LYS B 77 52.489 -0.539 -2.378 1.00 0.00 C ATOM 1900 C LYS B 77 53.254 -1.175 -3.539 1.00 0.00 C ATOM 1901 O LYS B 77 52.865 -1.033 -4.697 1.00 0.00 O ATOM 1902 CB LYS B 77 53.220 0.727 -1.905 1.00 0.00 C ATOM 1903 CG LYS B 77 53.214 1.775 -3.023 1.00 0.00 C ATOM 1904 CD LYS B 77 54.044 3.002 -2.622 1.00 0.00 C ATOM 1905 CE LYS B 77 53.269 3.873 -1.629 1.00 0.00 C ATOM 1906 NZ LYS B 77 54.045 5.120 -1.364 1.00 0.00 N ATOM 0 H LYS B 77 52.780 -1.149 -0.391 1.00 0.00 H new ATOM 0 HA LYS B 77 51.488 -0.275 -2.718 1.00 0.00 H new ATOM 0 HB2 LYS B 77 52.735 1.128 -1.015 1.00 0.00 H new ATOM 0 HB3 LYS B 77 54.245 0.484 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS B 77 53.617 1.340 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS B 77 52.189 2.078 -3.239 1.00 0.00 H new ATOM 0 HD2 LYS B 77 54.985 2.681 -2.176 1.00 0.00 H new ATOM 0 HD3 LYS B 77 54.294 3.585 -3.508 1.00 0.00 H new ATOM 0 HE2 LYS B 77 52.287 4.120 -2.032 1.00 0.00 H new ATOM 0 HE3 LYS B 77 53.104 3.328 -0.700 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 54.169 5.241 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 54.977 5.052 -1.819 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 53.530 5.938 -1.749 1.00 0.00 H new ATOM 1920 N ILE B 78 54.334 -1.878 -3.220 1.00 0.00 N ATOM 1921 CA ILE B 78 55.138 -2.536 -4.247 1.00 0.00 C ATOM 1922 C ILE B 78 54.672 -3.967 -4.464 1.00 0.00 C ATOM 1923 O ILE B 78 55.147 -4.656 -5.365 1.00 0.00 O ATOM 1924 CB ILE B 78 56.615 -2.524 -3.845 1.00 0.00 C ATOM 1925 CG1 ILE B 78 56.778 -3.149 -2.463 1.00 0.00 C ATOM 1926 CG2 ILE B 78 57.118 -1.085 -3.805 1.00 0.00 C ATOM 1927 CD1 ILE B 78 58.262 -3.376 -2.163 1.00 0.00 C ATOM 0 H ILE B 78 54.673 -2.008 -2.267 1.00 0.00 H new ATOM 0 HA ILE B 78 55.015 -1.988 -5.181 1.00 0.00 H new ATOM 0 HB ILE B 78 57.190 -3.096 -4.573 1.00 0.00 H new ATOM 0 HG12 ILE B 78 56.341 -2.497 -1.706 1.00 0.00 H new ATOM 0 HG13 ILE B 78 56.240 -4.096 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE B 78 58.170 -1.075 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE B 78 57.006 -0.633 -4.790 1.00 0.00 H new ATOM 0 HG23 ILE B 78 56.539 -0.517 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE B 78 58.369 -3.822 -1.174 1.00 0.00 H new ATOM 0 HD12 ILE B 78 58.686 -4.045 -2.911 1.00 0.00 H new ATOM 0 HD13 ILE B 78 58.789 -2.422 -2.189 1.00 0.00 H new ATOM 1939 N ASN B 79 53.740 -4.406 -3.631 1.00 0.00 N ATOM 1940 CA ASN B 79 53.235 -5.766 -3.717 1.00 0.00 C ATOM 1941 C ASN B 79 54.376 -6.778 -3.691 1.00 0.00 C ATOM 1942 O ASN B 79 54.343 -7.783 -4.401 1.00 0.00 O ATOM 1943 CB ASN B 79 52.438 -5.922 -5.015 1.00 0.00 C ATOM 1944 CG ASN B 79 51.509 -7.126 -4.913 1.00 0.00 C ATOM 1945 OD1 ASN B 79 50.995 -7.425 -3.834 1.00 0.00 O ATOM 1946 ND2 ASN B 79 51.259 -7.839 -5.977 1.00 0.00 N ATOM 0 H ASN B 79 53.320 -3.842 -2.892 1.00 0.00 H new ATOM 0 HA ASN B 79 52.594 -5.956 -2.856 1.00 0.00 H new ATOM 0 HB2 ASN B 79 51.858 -5.019 -5.206 1.00 0.00 H new ATOM 0 HB3 ASN B 79 53.119 -6.048 -5.857 1.00 0.00 H new ATOM 0 HD21 ASN B 79 50.637 -8.645 -5.916 1.00 0.00 H new ATOM 0 HD22 ASN B 79 51.685 -7.590 -6.870 1.00 0.00 H new ATOM 1953 N ALA B 80 55.382 -6.507 -2.865 1.00 0.00 N ATOM 1954 CA ALA B 80 56.527 -7.400 -2.752 1.00 0.00 C ATOM 1955 C ALA B 80 56.068 -8.804 -2.385 1.00 0.00 C ATOM 1956 O ALA B 80 55.128 -8.979 -1.612 1.00 0.00 O ATOM 1957 CB ALA B 80 57.489 -6.887 -1.679 1.00 0.00 C ATOM 0 H ALA B 80 55.427 -5.681 -2.268 1.00 0.00 H new ATOM 0 HA ALA B 80 57.038 -7.429 -3.715 1.00 0.00 H new ATOM 0 HB1 ALA B 80 58.342 -7.562 -1.602 1.00 0.00 H new ATOM 0 HB2 ALA B 80 57.838 -5.890 -1.950 1.00 0.00 H new ATOM 0 HB3 ALA B 80 56.974 -6.843 -0.719 1.00 0.00 H new ATOM 1963 N LYS B 81 56.737 -9.799 -2.953 1.00 0.00 N ATOM 1964 CA LYS B 81 56.396 -11.191 -2.692 1.00 0.00 C ATOM 1965 C LYS B 81 56.842 -11.596 -1.292 1.00 0.00 C ATOM 1966 O LYS B 81 57.872 -11.133 -0.801 1.00 0.00 O ATOM 1967 CB LYS B 81 57.067 -12.094 -3.728 1.00 0.00 C ATOM 1968 CG LYS B 81 56.510 -11.772 -5.117 1.00 0.00 C ATOM 1969 CD LYS B 81 57.172 -12.680 -6.157 1.00 0.00 C ATOM 1970 CE LYS B 81 56.595 -12.383 -7.543 1.00 0.00 C ATOM 1971 NZ LYS B 81 56.895 -10.971 -7.912 1.00 0.00 N ATOM 0 H LYS B 81 57.518 -9.668 -3.596 1.00 0.00 H new ATOM 0 HA LYS B 81 55.314 -11.302 -2.761 1.00 0.00 H new ATOM 0 HB2 LYS B 81 58.147 -11.944 -3.713 1.00 0.00 H new ATOM 0 HB3 LYS B 81 56.887 -13.141 -3.485 1.00 0.00 H new ATOM 0 HG2 LYS B 81 55.430 -11.915 -5.129 1.00 0.00 H new ATOM 0 HG3 LYS B 81 56.696 -10.726 -5.361 1.00 0.00 H new ATOM 0 HD2 LYS B 81 58.250 -12.520 -6.160 1.00 0.00 H new ATOM 0 HD3 LYS B 81 57.005 -13.726 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS B 81 57.023 -13.062 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS B 81 55.518 -12.550 -7.544 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 57.218 -10.931 -8.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 56.036 -10.394 -7.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 57.641 -10.600 -7.289 1.00 0.00 H new ATOM 1985 N LEU B 82 56.060 -12.458 -0.656 1.00 0.00 N ATOM 1986 CA LEU B 82 56.383 -12.913 0.691 1.00 0.00 C ATOM 1987 C LEU B 82 57.112 -14.249 0.650 1.00 0.00 C ATOM 1988 O LEU B 82 56.630 -15.215 0.057 1.00 0.00 O ATOM 1989 CB LEU B 82 55.106 -13.060 1.521 1.00 0.00 C ATOM 1990 CG LEU B 82 54.251 -11.789 1.394 1.00 0.00 C ATOM 1991 CD1 LEU B 82 53.368 -11.842 0.139 1.00 0.00 C ATOM 1992 CD2 LEU B 82 53.364 -11.651 2.632 1.00 0.00 C ATOM 0 H LEU B 82 55.205 -12.854 -1.046 1.00 0.00 H new ATOM 0 HA LEU B 82 57.033 -12.168 1.151 1.00 0.00 H new ATOM 0 HB2 LEU B 82 54.538 -13.926 1.181 1.00 0.00 H new ATOM 0 HB3 LEU B 82 55.359 -13.235 2.567 1.00 0.00 H new ATOM 0 HG LEU B 82 54.918 -10.931 1.311 1.00 0.00 H new ATOM 0 HD11 LEU B 82 52.774 -10.931 0.074 1.00 0.00 H new ATOM 0 HD12 LEU B 82 53.998 -11.928 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU B 82 52.704 -12.705 0.197 1.00 0.00 H new ATOM 0 HD21 LEU B 82 52.756 -10.750 2.545 1.00 0.00 H new ATOM 0 HD22 LEU B 82 52.713 -12.522 2.712 1.00 0.00 H new ATOM 0 HD23 LEU B 82 53.990 -11.582 3.522 1.00 0.00 H new