USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=17 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 44 CYS SG : rot -143:sc= -0.421 USER MOD Set 1.2: B 49 CYS SG : rot -115:sc= 0.623 USER MOD Set 1.3: B 54 CYS SG : rot -149:sc= 0.0904 USER MOD Set 1.4: B 57 CYS SG : rot 105:sc= -1.59 USER MOD Set 2.1: B 37 TYR OH : rot 113:sc= 0.0611 USER MOD Set 2.2: B 65 ASN : amide:sc= -1.45 X(o=-1.4,f=-1.9!) USER MOD Single : A 329 MET CE :methyl -146:sc= -0.576 (180deg=-1.15) USER MOD Single : A 330 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.1!) USER MOD Single : A 336 GLN : amide:sc= -0.232 K(o=-0.23,f=-1.5!) USER MOD Single : A 337 SER OG : rot 76:sc= 0.089 USER MOD Single : A 341 ASN : amide:sc= -0.303 K(o=-0.3,f=-2!) USER MOD Single : A 348 ASN : amide:sc= -0.0295 K(o=-0.03,f=-2!) USER MOD Single : A 349 ASN : amide:sc= -1.99! C(o=-2!,f=-1.4!) USER MOD Single : A 354 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.95!) USER MOD Single : A 356 MET CE :methyl -170:sc= -0.0224 (180deg=-0.0597) USER MOD Single : A 358 SER OG : rot 79:sc= 0.0365 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 36 TYR OH : rot 150:sc= 1.33 USER MOD Single : B 38 HIS : no HD1:sc= -1.95 K(o=-2,f=0.11) USER MOD Single : B 39 GLN : amide:sc= -0.0188 K(o=-0.019,f=-1.1) USER MOD Single : B 41 THR OG1 : rot -79:sc= 0.21 USER MOD Single : B 46 ASN : amide:sc= -0.0333 K(o=-0.033,f=-1.8!) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -0.88 X(o=-0.88,f=-1.1!) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 MET CE :methyl 176:sc= -1.42 (180deg=-1.43) USER MOD Single : B 66 ASN : amide:sc= -1.12 X(o=-1.1,f=-0.99) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 TYR OH : rot -15:sc= -0.157 USER MOD Single : B 77 LYS NZ :NH3+ -147:sc= 1.11 (180deg=0.338) USER MOD Single : B 79 ASN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 299 N ASP A 327 42.618 2.225 -6.609 1.00 0.00 N ATOM 300 CA ASP A 327 43.897 2.386 -5.925 1.00 0.00 C ATOM 301 C ASP A 327 43.682 2.633 -4.436 1.00 0.00 C ATOM 302 O ASP A 327 43.084 3.633 -4.040 1.00 0.00 O ATOM 303 CB ASP A 327 44.673 3.556 -6.531 1.00 0.00 C ATOM 304 CG ASP A 327 46.040 3.671 -5.866 1.00 0.00 C ATOM 305 OD1 ASP A 327 46.274 2.951 -4.910 1.00 0.00 O ATOM 306 OD2 ASP A 327 46.833 4.478 -6.324 1.00 0.00 O ATOM 0 HA ASP A 327 44.470 1.468 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 327 44.792 3.408 -7.604 1.00 0.00 H new ATOM 0 HB3 ASP A 327 44.115 4.482 -6.397 1.00 0.00 H new ATOM 311 N VAL A 328 44.175 1.710 -3.620 1.00 0.00 N ATOM 312 CA VAL A 328 44.040 1.820 -2.172 1.00 0.00 C ATOM 313 C VAL A 328 44.734 3.088 -1.673 1.00 0.00 C ATOM 314 O VAL A 328 44.276 3.732 -0.730 1.00 0.00 O ATOM 315 CB VAL A 328 44.645 0.594 -1.492 1.00 0.00 C ATOM 316 CG1 VAL A 328 44.613 0.786 0.023 1.00 0.00 C ATOM 317 CG2 VAL A 328 43.843 -0.650 -1.867 1.00 0.00 C ATOM 0 H VAL A 328 44.672 0.877 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 328 42.980 1.875 -1.923 1.00 0.00 H new ATOM 0 HB VAL A 328 45.677 0.469 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 328 45.045 -0.089 0.510 1.00 0.00 H new ATOM 0 HG12 VAL A 328 45.190 1.671 0.290 1.00 0.00 H new ATOM 0 HG13 VAL A 328 43.582 0.912 0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 328 44.277 -1.523 -1.380 1.00 0.00 H new ATOM 0 HG22 VAL A 328 42.810 -0.529 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 328 43.868 -0.787 -2.948 1.00 0.00 H new ATOM 327 N MET A 329 45.845 3.436 -2.309 1.00 0.00 N ATOM 328 CA MET A 329 46.604 4.622 -1.925 1.00 0.00 C ATOM 329 C MET A 329 45.730 5.871 -2.021 1.00 0.00 C ATOM 330 O MET A 329 45.872 6.800 -1.226 1.00 0.00 O ATOM 331 CB MET A 329 47.821 4.783 -2.840 1.00 0.00 C ATOM 332 CG MET A 329 48.839 3.679 -2.547 1.00 0.00 C ATOM 333 SD MET A 329 49.559 3.934 -0.905 1.00 0.00 S ATOM 334 CE MET A 329 50.598 2.454 -0.882 1.00 0.00 C ATOM 0 H MET A 329 46.241 2.916 -3.092 1.00 0.00 H new ATOM 0 HA MET A 329 46.936 4.499 -0.894 1.00 0.00 H new ATOM 0 HB2 MET A 329 47.511 4.737 -3.884 1.00 0.00 H new ATOM 0 HB3 MET A 329 48.277 5.761 -2.686 1.00 0.00 H new ATOM 0 HG2 MET A 329 48.356 2.703 -2.595 1.00 0.00 H new ATOM 0 HG3 MET A 329 49.624 3.684 -3.304 1.00 0.00 H new ATOM 0 HE1 MET A 329 50.656 2.066 0.135 1.00 0.00 H new ATOM 0 HE2 MET A 329 50.166 1.696 -1.536 1.00 0.00 H new ATOM 0 HE3 MET A 329 51.599 2.707 -1.232 1.00 0.00 H new ATOM 344 N GLN A 330 44.826 5.888 -2.996 1.00 0.00 N ATOM 345 CA GLN A 330 43.939 7.033 -3.177 1.00 0.00 C ATOM 346 C GLN A 330 42.924 7.112 -2.044 1.00 0.00 C ATOM 347 O GLN A 330 42.069 7.997 -2.027 1.00 0.00 O ATOM 348 CB GLN A 330 43.205 6.937 -4.517 1.00 0.00 C ATOM 349 CG GLN A 330 44.189 7.188 -5.660 1.00 0.00 C ATOM 350 CD GLN A 330 43.513 6.914 -6.999 1.00 0.00 C ATOM 351 OE1 GLN A 330 42.588 6.106 -7.074 1.00 0.00 O ATOM 352 NE2 GLN A 330 43.920 7.544 -8.066 1.00 0.00 N ATOM 0 H GLN A 330 44.689 5.131 -3.666 1.00 0.00 H new ATOM 0 HA GLN A 330 44.550 7.936 -3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 330 42.751 5.952 -4.625 1.00 0.00 H new ATOM 0 HB3 GLN A 330 42.396 7.667 -4.553 1.00 0.00 H new ATOM 0 HG2 GLN A 330 44.543 8.218 -5.626 1.00 0.00 H new ATOM 0 HG3 GLN A 330 45.063 6.546 -5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 330 44.687 8.213 -8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 330 43.471 7.367 -8.965 1.00 0.00 H new ATOM 361 N ASP A 331 43.031 6.187 -1.090 1.00 0.00 N ATOM 362 CA ASP A 331 42.126 6.167 0.056 1.00 0.00 C ATOM 363 C ASP A 331 42.914 6.075 1.366 1.00 0.00 C ATOM 364 O ASP A 331 42.963 5.021 2.002 1.00 0.00 O ATOM 365 CB ASP A 331 41.173 4.977 -0.058 1.00 0.00 C ATOM 366 CG ASP A 331 40.362 5.092 -1.344 1.00 0.00 C ATOM 367 OD1 ASP A 331 40.410 6.146 -1.958 1.00 0.00 O ATOM 368 OD2 ASP A 331 39.703 4.128 -1.695 1.00 0.00 O ATOM 0 H ASP A 331 43.732 5.446 -1.089 1.00 0.00 H new ATOM 0 HA ASP A 331 41.552 7.094 0.060 1.00 0.00 H new ATOM 0 HB2 ASP A 331 41.738 4.045 -0.054 1.00 0.00 H new ATOM 0 HB3 ASP A 331 40.506 4.949 0.803 1.00 0.00 H new ATOM 373 N PRO A 332 43.535 7.157 1.774 1.00 0.00 N ATOM 374 CA PRO A 332 44.339 7.202 3.035 1.00 0.00 C ATOM 375 C PRO A 332 43.510 6.815 4.256 1.00 0.00 C ATOM 376 O PRO A 332 44.024 6.221 5.204 1.00 0.00 O ATOM 377 CB PRO A 332 44.784 8.664 3.136 1.00 0.00 C ATOM 378 CG PRO A 332 44.712 9.189 1.745 1.00 0.00 C ATOM 379 CD PRO A 332 43.545 8.459 1.086 1.00 0.00 C ATOM 0 HA PRO A 332 45.170 6.497 3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 332 44.134 9.229 3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 332 45.796 8.741 3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 332 44.551 10.267 1.742 1.00 0.00 H new ATOM 0 HG3 PRO A 332 45.642 9.004 1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 332 42.606 8.995 1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 332 43.694 8.347 0.012 1.00 0.00 H new ATOM 387 N GLU A 333 42.227 7.165 4.231 1.00 0.00 N ATOM 388 CA GLU A 333 41.342 6.859 5.349 1.00 0.00 C ATOM 389 C GLU A 333 41.279 5.353 5.569 1.00 0.00 C ATOM 390 O GLU A 333 41.376 4.876 6.700 1.00 0.00 O ATOM 391 CB GLU A 333 39.934 7.399 5.057 1.00 0.00 C ATOM 392 CG GLU A 333 38.995 7.109 6.237 1.00 0.00 C ATOM 393 CD GLU A 333 39.490 7.825 7.489 1.00 0.00 C ATOM 394 OE1 GLU A 333 40.226 8.789 7.345 1.00 0.00 O ATOM 395 OE2 GLU A 333 39.133 7.396 8.574 1.00 0.00 O ATOM 0 H GLU A 333 41.781 7.656 3.456 1.00 0.00 H new ATOM 0 HA GLU A 333 41.732 7.333 6.250 1.00 0.00 H new ATOM 0 HB2 GLU A 333 39.980 8.473 4.876 1.00 0.00 H new ATOM 0 HB3 GLU A 333 39.542 6.939 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 333 37.984 7.438 5.996 1.00 0.00 H new ATOM 0 HG3 GLU A 333 38.947 6.035 6.418 1.00 0.00 H new ATOM 402 N PHE A 334 41.118 4.607 4.483 1.00 0.00 N ATOM 403 CA PHE A 334 41.046 3.155 4.575 1.00 0.00 C ATOM 404 C PHE A 334 42.356 2.596 5.118 1.00 0.00 C ATOM 405 O PHE A 334 42.360 1.733 5.997 1.00 0.00 O ATOM 406 CB PHE A 334 40.753 2.551 3.200 1.00 0.00 C ATOM 407 CG PHE A 334 40.553 1.061 3.341 1.00 0.00 C ATOM 408 CD1 PHE A 334 39.339 0.569 3.837 1.00 0.00 C ATOM 409 CD2 PHE A 334 41.572 0.171 2.976 1.00 0.00 C ATOM 410 CE1 PHE A 334 39.144 -0.809 3.972 1.00 0.00 C ATOM 411 CE2 PHE A 334 41.375 -1.209 3.111 1.00 0.00 C ATOM 412 CZ PHE A 334 40.160 -1.699 3.607 1.00 0.00 C ATOM 0 H PHE A 334 41.036 4.979 3.537 1.00 0.00 H new ATOM 0 HA PHE A 334 40.238 2.890 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 334 39.862 3.010 2.771 1.00 0.00 H new ATOM 0 HB3 PHE A 334 41.578 2.756 2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 334 38.553 1.255 4.116 1.00 0.00 H new ATOM 0 HD2 PHE A 334 42.508 0.549 2.591 1.00 0.00 H new ATOM 0 HE1 PHE A 334 38.209 -1.187 4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 334 42.160 -1.896 2.832 1.00 0.00 H new ATOM 0 HZ PHE A 334 40.008 -2.763 3.708 1.00 0.00 H new ATOM 422 N LEU A 335 43.468 3.098 4.589 1.00 0.00 N ATOM 423 CA LEU A 335 44.786 2.644 5.028 1.00 0.00 C ATOM 424 C LEU A 335 44.996 2.944 6.507 1.00 0.00 C ATOM 425 O LEU A 335 45.560 2.130 7.241 1.00 0.00 O ATOM 426 CB LEU A 335 45.874 3.339 4.205 1.00 0.00 C ATOM 427 CG LEU A 335 45.872 2.790 2.775 1.00 0.00 C ATOM 428 CD1 LEU A 335 46.791 3.645 1.902 1.00 0.00 C ATOM 429 CD2 LEU A 335 46.372 1.337 2.763 1.00 0.00 C ATOM 0 H LEU A 335 43.485 3.813 3.862 1.00 0.00 H new ATOM 0 HA LEU A 335 44.846 1.566 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 335 45.701 4.415 4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 335 46.849 3.178 4.665 1.00 0.00 H new ATOM 0 HG LEU A 335 44.854 2.821 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 335 46.791 3.256 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 335 46.434 4.675 1.897 1.00 0.00 H new ATOM 0 HD13 LEU A 335 47.805 3.615 2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 335 46.366 0.958 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 335 47.387 1.298 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 335 45.718 0.722 3.382 1.00 0.00 H new ATOM 441 N GLN A 336 44.543 4.112 6.941 1.00 0.00 N ATOM 442 CA GLN A 336 44.689 4.500 8.336 1.00 0.00 C ATOM 443 C GLN A 336 43.940 3.525 9.238 1.00 0.00 C ATOM 444 O GLN A 336 44.438 3.132 10.293 1.00 0.00 O ATOM 445 CB GLN A 336 44.145 5.915 8.540 1.00 0.00 C ATOM 446 CG GLN A 336 44.389 6.355 9.984 1.00 0.00 C ATOM 447 CD GLN A 336 43.925 7.794 10.175 1.00 0.00 C ATOM 448 OE1 GLN A 336 43.507 8.445 9.217 1.00 0.00 O ATOM 449 NE2 GLN A 336 43.974 8.333 11.362 1.00 0.00 N ATOM 0 H GLN A 336 44.075 4.802 6.353 1.00 0.00 H new ATOM 0 HA GLN A 336 45.747 4.479 8.597 1.00 0.00 H new ATOM 0 HB2 GLN A 336 44.632 6.606 7.852 1.00 0.00 H new ATOM 0 HB3 GLN A 336 43.078 5.941 8.316 1.00 0.00 H new ATOM 0 HG2 GLN A 336 43.853 5.697 10.669 1.00 0.00 H new ATOM 0 HG3 GLN A 336 45.449 6.271 10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 336 44.321 7.792 12.154 1.00 0.00 H new ATOM 0 HE22 GLN A 336 43.666 9.296 11.498 1.00 0.00 H new ATOM 458 N SER A 337 42.742 3.135 8.815 1.00 0.00 N ATOM 459 CA SER A 337 41.935 2.203 9.593 1.00 0.00 C ATOM 460 C SER A 337 42.644 0.859 9.729 1.00 0.00 C ATOM 461 O SER A 337 42.637 0.249 10.797 1.00 0.00 O ATOM 462 CB SER A 337 40.579 2.000 8.919 1.00 0.00 C ATOM 463 OG SER A 337 39.844 3.216 8.964 1.00 0.00 O ATOM 0 H SER A 337 42.311 3.447 7.945 1.00 0.00 H new ATOM 0 HA SER A 337 41.788 2.624 10.588 1.00 0.00 H new ATOM 0 HB2 SER A 337 40.718 1.684 7.885 1.00 0.00 H new ATOM 0 HB3 SER A 337 40.025 1.208 9.423 1.00 0.00 H new ATOM 0 HG SER A 337 40.199 3.838 8.295 1.00 0.00 H new ATOM 469 N VAL A 338 43.253 0.405 8.641 1.00 0.00 N ATOM 470 CA VAL A 338 43.962 -0.870 8.651 1.00 0.00 C ATOM 471 C VAL A 338 45.138 -0.820 9.622 1.00 0.00 C ATOM 472 O VAL A 338 45.362 -1.753 10.394 1.00 0.00 O ATOM 473 CB VAL A 338 44.469 -1.201 7.245 1.00 0.00 C ATOM 474 CG1 VAL A 338 45.382 -2.426 7.308 1.00 0.00 C ATOM 475 CG2 VAL A 338 43.280 -1.495 6.325 1.00 0.00 C ATOM 0 H VAL A 338 43.271 0.895 7.747 1.00 0.00 H new ATOM 0 HA VAL A 338 43.269 -1.646 8.976 1.00 0.00 H new ATOM 0 HB VAL A 338 45.027 -0.351 6.852 1.00 0.00 H new ATOM 0 HG11 VAL A 338 45.743 -2.662 6.307 1.00 0.00 H new ATOM 0 HG12 VAL A 338 46.230 -2.215 7.959 1.00 0.00 H new ATOM 0 HG13 VAL A 338 44.824 -3.275 7.702 1.00 0.00 H new ATOM 0 HG21 VAL A 338 43.643 -1.730 5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 338 42.718 -2.343 6.716 1.00 0.00 H new ATOM 0 HG23 VAL A 338 42.631 -0.621 6.279 1.00 0.00 H new ATOM 485 N LEU A 339 45.887 0.275 9.578 1.00 0.00 N ATOM 486 CA LEU A 339 47.036 0.434 10.456 1.00 0.00 C ATOM 487 C LEU A 339 46.596 0.435 11.917 1.00 0.00 C ATOM 488 O LEU A 339 47.236 -0.181 12.768 1.00 0.00 O ATOM 489 CB LEU A 339 47.753 1.748 10.133 1.00 0.00 C ATOM 490 CG LEU A 339 48.446 1.640 8.767 1.00 0.00 C ATOM 491 CD1 LEU A 339 48.981 3.013 8.358 1.00 0.00 C ATOM 492 CD2 LEU A 339 49.611 0.643 8.837 1.00 0.00 C ATOM 0 H LEU A 339 45.720 1.060 8.948 1.00 0.00 H new ATOM 0 HA LEU A 339 47.717 -0.402 10.296 1.00 0.00 H new ATOM 0 HB2 LEU A 339 47.038 2.571 10.124 1.00 0.00 H new ATOM 0 HB3 LEU A 339 48.487 1.972 10.907 1.00 0.00 H new ATOM 0 HG LEU A 339 47.722 1.289 8.032 1.00 0.00 H new ATOM 0 HD11 LEU A 339 49.473 2.938 7.388 1.00 0.00 H new ATOM 0 HD12 LEU A 339 48.154 3.720 8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 339 49.697 3.361 9.102 1.00 0.00 H new ATOM 0 HD21 LEU A 339 50.093 0.577 7.861 1.00 0.00 H new ATOM 0 HD22 LEU A 339 50.336 0.982 9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 339 49.233 -0.339 9.122 1.00 0.00 H new ATOM 504 N GLU A 340 45.493 1.121 12.197 1.00 0.00 N ATOM 505 CA GLU A 340 44.966 1.187 13.556 1.00 0.00 C ATOM 506 C GLU A 340 44.519 -0.193 14.022 1.00 0.00 C ATOM 507 O GLU A 340 44.706 -0.562 15.181 1.00 0.00 O ATOM 508 CB GLU A 340 43.795 2.164 13.621 1.00 0.00 C ATOM 509 CG GLU A 340 43.288 2.252 15.062 1.00 0.00 C ATOM 510 CD GLU A 340 42.227 3.338 15.175 1.00 0.00 C ATOM 511 OE1 GLU A 340 41.972 3.995 14.179 1.00 0.00 O ATOM 512 OE2 GLU A 340 41.684 3.498 16.255 1.00 0.00 O ATOM 0 H GLU A 340 44.949 1.637 11.505 1.00 0.00 H new ATOM 0 HA GLU A 340 45.758 1.539 14.216 1.00 0.00 H new ATOM 0 HB2 GLU A 340 44.108 3.148 13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 340 42.993 1.833 12.961 1.00 0.00 H new ATOM 0 HG2 GLU A 340 42.872 1.292 15.369 1.00 0.00 H new ATOM 0 HG3 GLU A 340 44.117 2.470 15.735 1.00 0.00 H new ATOM 519 N ASN A 341 43.925 -0.948 13.109 1.00 0.00 N ATOM 520 CA ASN A 341 43.445 -2.283 13.428 1.00 0.00 C ATOM 521 C ASN A 341 44.595 -3.162 13.895 1.00 0.00 C ATOM 522 O ASN A 341 44.427 -4.002 14.779 1.00 0.00 O ATOM 523 CB ASN A 341 42.802 -2.918 12.193 1.00 0.00 C ATOM 524 CG ASN A 341 41.474 -2.237 11.887 1.00 0.00 C ATOM 525 OD1 ASN A 341 40.858 -1.649 12.776 1.00 0.00 O ATOM 526 ND2 ASN A 341 40.996 -2.275 10.675 1.00 0.00 N ATOM 0 H ASN A 341 43.765 -0.659 12.144 1.00 0.00 H new ATOM 0 HA ASN A 341 42.707 -2.200 14.225 1.00 0.00 H new ATOM 0 HB2 ASN A 341 43.472 -2.828 11.338 1.00 0.00 H new ATOM 0 HB3 ASN A 341 42.643 -3.983 12.363 1.00 0.00 H new ATOM 0 HD21 ASN A 341 40.110 -1.817 10.462 1.00 0.00 H new ATOM 0 HD22 ASN A 341 41.508 -2.763 9.940 1.00 0.00 H new ATOM 533 N LEU A 342 45.761 -2.980 13.286 1.00 0.00 N ATOM 534 CA LEU A 342 46.918 -3.788 13.649 1.00 0.00 C ATOM 535 C LEU A 342 47.275 -3.600 15.133 1.00 0.00 C ATOM 536 O LEU A 342 47.197 -2.486 15.664 1.00 0.00 O ATOM 537 CB LEU A 342 48.117 -3.398 12.781 1.00 0.00 C ATOM 538 CG LEU A 342 47.870 -3.820 11.328 1.00 0.00 C ATOM 539 CD1 LEU A 342 49.008 -3.297 10.451 1.00 0.00 C ATOM 540 CD2 LEU A 342 47.811 -5.351 11.220 1.00 0.00 C ATOM 0 H LEU A 342 45.929 -2.293 12.551 1.00 0.00 H new ATOM 0 HA LEU A 342 46.669 -4.836 13.482 1.00 0.00 H new ATOM 0 HB2 LEU A 342 48.280 -2.321 12.833 1.00 0.00 H new ATOM 0 HB3 LEU A 342 49.021 -3.876 13.159 1.00 0.00 H new ATOM 0 HG LEU A 342 46.919 -3.404 10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 342 48.837 -3.595 9.417 1.00 0.00 H new ATOM 0 HD12 LEU A 342 49.046 -2.209 10.514 1.00 0.00 H new ATOM 0 HD13 LEU A 342 49.954 -3.713 10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 342 47.635 -5.636 10.183 1.00 0.00 H new ATOM 0 HD22 LEU A 342 48.756 -5.776 11.558 1.00 0.00 H new ATOM 0 HD23 LEU A 342 47.000 -5.729 11.843 1.00 0.00 H new ATOM 552 N PRO A 343 47.662 -4.655 15.820 1.00 0.00 N ATOM 553 CA PRO A 343 48.017 -4.567 17.266 1.00 0.00 C ATOM 554 C PRO A 343 49.312 -3.799 17.496 1.00 0.00 C ATOM 555 O PRO A 343 50.294 -3.983 16.777 1.00 0.00 O ATOM 556 CB PRO A 343 48.168 -6.029 17.695 1.00 0.00 C ATOM 557 CG PRO A 343 48.502 -6.773 16.447 1.00 0.00 C ATOM 558 CD PRO A 343 47.808 -6.031 15.308 1.00 0.00 C ATOM 0 HA PRO A 343 47.263 -4.026 17.837 1.00 0.00 H new ATOM 0 HB2 PRO A 343 48.954 -6.141 18.442 1.00 0.00 H new ATOM 0 HB3 PRO A 343 47.248 -6.405 18.142 1.00 0.00 H new ATOM 0 HG2 PRO A 343 49.580 -6.805 16.290 1.00 0.00 H new ATOM 0 HG3 PRO A 343 48.157 -7.805 16.506 1.00 0.00 H new ATOM 0 HD2 PRO A 343 48.401 -6.057 14.394 1.00 0.00 H new ATOM 0 HD3 PRO A 343 46.841 -6.475 15.073 1.00 0.00 H new ATOM 566 N GLY A 344 49.307 -2.945 18.512 1.00 0.00 N ATOM 567 CA GLY A 344 50.487 -2.161 18.839 1.00 0.00 C ATOM 568 C GLY A 344 50.619 -0.961 17.910 1.00 0.00 C ATOM 569 O GLY A 344 51.574 -0.191 18.016 1.00 0.00 O ATOM 0 H GLY A 344 48.504 -2.780 19.119 1.00 0.00 H new ATOM 0 HA2 GLY A 344 50.427 -1.820 19.873 1.00 0.00 H new ATOM 0 HA3 GLY A 344 51.377 -2.786 18.761 1.00 0.00 H new ATOM 573 N VAL A 345 49.660 -0.808 16.997 1.00 0.00 N ATOM 574 CA VAL A 345 49.690 0.302 16.054 1.00 0.00 C ATOM 575 C VAL A 345 48.557 1.277 16.341 1.00 0.00 C ATOM 576 O VAL A 345 47.392 0.886 16.400 1.00 0.00 O ATOM 577 CB VAL A 345 49.549 -0.230 14.630 1.00 0.00 C ATOM 578 CG1 VAL A 345 49.531 0.941 13.646 1.00 0.00 C ATOM 579 CG2 VAL A 345 50.731 -1.146 14.310 1.00 0.00 C ATOM 0 H VAL A 345 48.861 -1.434 16.893 1.00 0.00 H new ATOM 0 HA VAL A 345 50.641 0.823 16.161 1.00 0.00 H new ATOM 0 HB VAL A 345 48.619 -0.791 14.543 1.00 0.00 H new ATOM 0 HG11 VAL A 345 49.430 0.561 12.630 1.00 0.00 H new ATOM 0 HG12 VAL A 345 48.689 1.595 13.874 1.00 0.00 H new ATOM 0 HG13 VAL A 345 50.461 1.503 13.733 1.00 0.00 H new ATOM 0 HG21 VAL A 345 50.632 -1.527 13.293 1.00 0.00 H new ATOM 0 HG22 VAL A 345 51.661 -0.584 14.398 1.00 0.00 H new ATOM 0 HG23 VAL A 345 50.744 -1.981 15.010 1.00 0.00 H new ATOM 589 N ASP A 346 48.908 2.548 16.519 1.00 0.00 N ATOM 590 CA ASP A 346 47.908 3.572 16.798 1.00 0.00 C ATOM 591 C ASP A 346 48.148 4.820 15.942 1.00 0.00 C ATOM 592 O ASP A 346 49.289 5.137 15.610 1.00 0.00 O ATOM 593 CB ASP A 346 47.958 3.941 18.283 1.00 0.00 C ATOM 594 CG ASP A 346 47.427 2.785 19.124 1.00 0.00 C ATOM 595 OD1 ASP A 346 46.833 1.886 18.551 1.00 0.00 O ATOM 596 OD2 ASP A 346 47.618 2.817 20.329 1.00 0.00 O ATOM 0 H ASP A 346 49.868 2.890 16.475 1.00 0.00 H new ATOM 0 HA ASP A 346 46.924 3.175 16.551 1.00 0.00 H new ATOM 0 HB2 ASP A 346 48.982 4.174 18.574 1.00 0.00 H new ATOM 0 HB3 ASP A 346 47.364 4.837 18.464 1.00 0.00 H new ATOM 601 N PRO A 347 47.106 5.539 15.589 1.00 0.00 N ATOM 602 CA PRO A 347 47.232 6.778 14.764 1.00 0.00 C ATOM 603 C PRO A 347 47.993 7.881 15.496 1.00 0.00 C ATOM 604 O PRO A 347 48.542 8.788 14.871 1.00 0.00 O ATOM 605 CB PRO A 347 45.781 7.194 14.494 1.00 0.00 C ATOM 606 CG PRO A 347 44.979 6.557 15.577 1.00 0.00 C ATOM 607 CD PRO A 347 45.698 5.258 15.927 1.00 0.00 C ATOM 0 HA PRO A 347 47.800 6.603 13.851 1.00 0.00 H new ATOM 0 HB2 PRO A 347 45.673 8.279 14.511 1.00 0.00 H new ATOM 0 HB3 PRO A 347 45.452 6.857 13.511 1.00 0.00 H new ATOM 0 HG2 PRO A 347 44.910 7.211 16.447 1.00 0.00 H new ATOM 0 HG3 PRO A 347 43.960 6.361 15.244 1.00 0.00 H new ATOM 0 HD2 PRO A 347 45.581 5.007 16.981 1.00 0.00 H new ATOM 0 HD3 PRO A 347 45.308 4.417 15.354 1.00 0.00 H new ATOM 615 N ASN A 348 48.019 7.798 16.822 1.00 0.00 N ATOM 616 CA ASN A 348 48.715 8.795 17.627 1.00 0.00 C ATOM 617 C ASN A 348 50.227 8.625 17.508 1.00 0.00 C ATOM 618 O ASN A 348 50.991 9.516 17.880 1.00 0.00 O ATOM 619 CB ASN A 348 48.297 8.669 19.093 1.00 0.00 C ATOM 620 CG ASN A 348 46.857 9.139 19.265 1.00 0.00 C ATOM 621 OD1 ASN A 348 46.339 9.874 18.424 1.00 0.00 O ATOM 622 ND2 ASN A 348 46.176 8.758 20.310 1.00 0.00 N ATOM 0 H ASN A 348 47.570 7.056 17.359 1.00 0.00 H new ATOM 0 HA ASN A 348 48.444 9.784 17.257 1.00 0.00 H new ATOM 0 HB2 ASN A 348 48.392 7.633 19.419 1.00 0.00 H new ATOM 0 HB3 ASN A 348 48.960 9.263 19.722 1.00 0.00 H new ATOM 0 HD21 ASN A 348 45.212 9.069 20.432 1.00 0.00 H new ATOM 0 HD22 ASN A 348 46.607 8.149 21.005 1.00 0.00 H new ATOM 629 N ASN A 349 50.656 7.478 16.986 1.00 0.00 N ATOM 630 CA ASN A 349 52.074 7.212 16.825 1.00 0.00 C ATOM 631 C ASN A 349 52.685 8.195 15.838 1.00 0.00 C ATOM 632 O ASN A 349 52.115 8.474 14.783 1.00 0.00 O ATOM 633 CB ASN A 349 52.282 5.782 16.324 1.00 0.00 C ATOM 634 CG ASN A 349 51.953 4.786 17.431 1.00 0.00 C ATOM 635 OD1 ASN A 349 51.947 5.144 18.609 1.00 0.00 O ATOM 636 ND2 ASN A 349 51.680 3.547 17.121 1.00 0.00 N ATOM 0 H ASN A 349 50.043 6.726 16.671 1.00 0.00 H new ATOM 0 HA ASN A 349 52.564 7.330 17.791 1.00 0.00 H new ATOM 0 HB2 ASN A 349 51.648 5.596 15.457 1.00 0.00 H new ATOM 0 HB3 ASN A 349 53.314 5.649 15.999 1.00 0.00 H new ATOM 0 HD21 ASN A 349 51.461 2.874 17.855 1.00 0.00 H new ATOM 0 HD22 ASN A 349 51.686 3.253 16.144 1.00 0.00 H new ATOM 643 N GLU A 350 53.849 8.716 16.193 1.00 0.00 N ATOM 644 CA GLU A 350 54.540 9.670 15.339 1.00 0.00 C ATOM 645 C GLU A 350 54.948 9.010 14.028 1.00 0.00 C ATOM 646 O GLU A 350 54.910 9.639 12.970 1.00 0.00 O ATOM 647 CB GLU A 350 55.784 10.211 16.053 1.00 0.00 C ATOM 648 CG GLU A 350 55.371 11.103 17.233 1.00 0.00 C ATOM 649 CD GLU A 350 54.989 10.246 18.438 1.00 0.00 C ATOM 650 OE1 GLU A 350 55.136 9.038 18.357 1.00 0.00 O ATOM 651 OE2 GLU A 350 54.553 10.814 19.426 1.00 0.00 O ATOM 0 H GLU A 350 54.334 8.496 17.063 1.00 0.00 H new ATOM 0 HA GLU A 350 53.862 10.496 15.123 1.00 0.00 H new ATOM 0 HB2 GLU A 350 56.396 9.383 16.410 1.00 0.00 H new ATOM 0 HB3 GLU A 350 56.395 10.781 15.353 1.00 0.00 H new ATOM 0 HG2 GLU A 350 56.192 11.770 17.498 1.00 0.00 H new ATOM 0 HG3 GLU A 350 54.529 11.732 16.944 1.00 0.00 H new ATOM 658 N ALA A 351 55.350 7.744 14.104 1.00 0.00 N ATOM 659 CA ALA A 351 55.776 7.025 12.909 1.00 0.00 C ATOM 660 C ALA A 351 54.639 6.941 11.897 1.00 0.00 C ATOM 661 O ALA A 351 54.834 7.199 10.710 1.00 0.00 O ATOM 662 CB ALA A 351 56.230 5.613 13.285 1.00 0.00 C ATOM 0 H ALA A 351 55.389 7.202 14.967 1.00 0.00 H new ATOM 0 HA ALA A 351 56.607 7.568 12.459 1.00 0.00 H new ATOM 0 HB1 ALA A 351 56.547 5.082 12.388 1.00 0.00 H new ATOM 0 HB2 ALA A 351 57.064 5.673 13.985 1.00 0.00 H new ATOM 0 HB3 ALA A 351 55.403 5.077 13.751 1.00 0.00 H new ATOM 668 N ILE A 352 53.449 6.601 12.378 1.00 0.00 N ATOM 669 CA ILE A 352 52.286 6.509 11.506 1.00 0.00 C ATOM 670 C ILE A 352 51.941 7.871 10.921 1.00 0.00 C ATOM 671 O ILE A 352 51.659 7.993 9.730 1.00 0.00 O ATOM 672 CB ILE A 352 51.090 5.959 12.282 1.00 0.00 C ATOM 673 CG1 ILE A 352 51.126 4.425 12.260 1.00 0.00 C ATOM 674 CG2 ILE A 352 49.792 6.451 11.639 1.00 0.00 C ATOM 675 CD1 ILE A 352 52.504 3.925 12.704 1.00 0.00 C ATOM 0 H ILE A 352 53.265 6.386 13.358 1.00 0.00 H new ATOM 0 HA ILE A 352 52.525 5.831 10.687 1.00 0.00 H new ATOM 0 HB ILE A 352 51.136 6.307 13.314 1.00 0.00 H new ATOM 0 HG12 ILE A 352 50.356 4.026 12.920 1.00 0.00 H new ATOM 0 HG13 ILE A 352 50.905 4.063 11.256 1.00 0.00 H new ATOM 0 HG21 ILE A 352 48.940 6.058 12.193 1.00 0.00 H new ATOM 0 HG22 ILE A 352 49.766 7.541 11.659 1.00 0.00 H new ATOM 0 HG23 ILE A 352 49.744 6.105 10.606 1.00 0.00 H new ATOM 0 HD11 ILE A 352 52.519 2.835 12.685 1.00 0.00 H new ATOM 0 HD12 ILE A 352 53.266 4.310 12.027 1.00 0.00 H new ATOM 0 HD13 ILE A 352 52.708 4.273 13.717 1.00 0.00 H new ATOM 687 N ARG A 353 51.964 8.895 11.766 1.00 0.00 N ATOM 688 CA ARG A 353 51.646 10.242 11.317 1.00 0.00 C ATOM 689 C ARG A 353 52.631 10.696 10.245 1.00 0.00 C ATOM 690 O ARG A 353 52.233 11.220 9.204 1.00 0.00 O ATOM 691 CB ARG A 353 51.688 11.208 12.504 1.00 0.00 C ATOM 692 CG ARG A 353 51.311 12.616 12.038 1.00 0.00 C ATOM 693 CD ARG A 353 51.254 13.554 13.244 1.00 0.00 C ATOM 694 NE ARG A 353 50.897 14.901 12.816 1.00 0.00 N ATOM 695 CZ ARG A 353 51.818 15.735 12.343 1.00 0.00 C ATOM 696 NH1 ARG A 353 51.477 16.938 11.965 1.00 0.00 N ATOM 697 NH2 ARG A 353 53.061 15.351 12.254 1.00 0.00 N ATOM 0 H ARG A 353 52.197 8.819 12.756 1.00 0.00 H new ATOM 0 HA ARG A 353 50.644 10.239 10.889 1.00 0.00 H new ATOM 0 HB2 ARG A 353 50.999 10.875 13.280 1.00 0.00 H new ATOM 0 HB3 ARG A 353 52.685 11.215 12.944 1.00 0.00 H new ATOM 0 HG2 ARG A 353 52.042 12.979 11.315 1.00 0.00 H new ATOM 0 HG3 ARG A 353 50.345 12.597 11.533 1.00 0.00 H new ATOM 0 HD2 ARG A 353 50.523 13.188 13.965 1.00 0.00 H new ATOM 0 HD3 ARG A 353 52.220 13.569 13.749 1.00 0.00 H new ATOM 0 HE ARG A 353 49.926 15.208 12.880 1.00 0.00 H new ATOM 0 HH11 ARG A 353 50.504 17.237 12.033 1.00 0.00 H new ATOM 0 HH12 ARG A 353 52.183 17.578 11.602 1.00 0.00 H new ATOM 0 HH21 ARG A 353 53.327 14.411 12.547 1.00 0.00 H new ATOM 0 HH22 ARG A 353 53.768 15.991 11.891 1.00 0.00 H new ATOM 711 N ASN A 354 53.918 10.492 10.505 1.00 0.00 N ATOM 712 CA ASN A 354 54.949 10.886 9.553 1.00 0.00 C ATOM 713 C ASN A 354 54.823 10.091 8.258 1.00 0.00 C ATOM 714 O ASN A 354 54.997 10.633 7.166 1.00 0.00 O ATOM 715 CB ASN A 354 56.332 10.659 10.163 1.00 0.00 C ATOM 716 CG ASN A 354 56.572 11.652 11.295 1.00 0.00 C ATOM 717 OD1 ASN A 354 56.713 11.253 12.451 1.00 0.00 O ATOM 718 ND2 ASN A 354 56.626 12.930 11.033 1.00 0.00 N ATOM 0 H ASN A 354 54.270 10.060 11.359 1.00 0.00 H new ATOM 0 HA ASN A 354 54.820 11.944 9.325 1.00 0.00 H new ATOM 0 HB2 ASN A 354 56.409 9.639 10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 354 57.100 10.775 9.398 1.00 0.00 H new ATOM 0 HD21 ASN A 354 56.785 13.599 11.787 1.00 0.00 H new ATOM 0 HD22 ASN A 354 56.509 13.260 10.075 1.00 0.00 H new ATOM 725 N ALA A 355 54.527 8.800 8.387 1.00 0.00 N ATOM 726 CA ALA A 355 54.389 7.939 7.220 1.00 0.00 C ATOM 727 C ALA A 355 53.251 8.415 6.326 1.00 0.00 C ATOM 728 O ALA A 355 53.385 8.450 5.104 1.00 0.00 O ATOM 729 CB ALA A 355 54.122 6.502 7.664 1.00 0.00 C ATOM 0 H ALA A 355 54.379 8.332 9.281 1.00 0.00 H new ATOM 0 HA ALA A 355 55.319 7.981 6.652 1.00 0.00 H new ATOM 0 HB1 ALA A 355 54.020 5.863 6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 355 54.953 6.149 8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 355 53.202 6.467 8.248 1.00 0.00 H new ATOM 735 N MET A 356 52.133 8.785 6.942 1.00 0.00 N ATOM 736 CA MET A 356 50.987 9.260 6.179 1.00 0.00 C ATOM 737 C MET A 356 51.322 10.560 5.459 1.00 0.00 C ATOM 738 O MET A 356 50.923 10.763 4.313 1.00 0.00 O ATOM 739 CB MET A 356 49.794 9.484 7.112 1.00 0.00 C ATOM 740 CG MET A 356 48.953 8.207 7.205 1.00 0.00 C ATOM 741 SD MET A 356 50.018 6.789 7.570 1.00 0.00 S ATOM 742 CE MET A 356 49.635 5.835 6.080 1.00 0.00 C ATOM 0 H MET A 356 51.997 8.766 7.953 1.00 0.00 H new ATOM 0 HA MET A 356 50.731 8.504 5.437 1.00 0.00 H new ATOM 0 HB2 MET A 356 50.146 9.770 8.103 1.00 0.00 H new ATOM 0 HB3 MET A 356 49.182 10.306 6.741 1.00 0.00 H new ATOM 0 HG2 MET A 356 48.198 8.315 7.984 1.00 0.00 H new ATOM 0 HG3 MET A 356 48.423 8.042 6.267 1.00 0.00 H new ATOM 0 HE1 MET A 356 50.049 4.831 6.174 1.00 0.00 H new ATOM 0 HE2 MET A 356 48.554 5.772 5.957 1.00 0.00 H new ATOM 0 HE3 MET A 356 50.071 6.327 5.211 1.00 0.00 H new ATOM 752 N GLY A 357 52.059 11.436 6.135 1.00 0.00 N ATOM 753 CA GLY A 357 52.439 12.710 5.538 1.00 0.00 C ATOM 754 C GLY A 357 53.327 12.500 4.318 1.00 0.00 C ATOM 755 O GLY A 357 53.131 13.128 3.279 1.00 0.00 O ATOM 0 H GLY A 357 52.401 11.289 7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 357 51.544 13.262 5.250 1.00 0.00 H new ATOM 0 HA3 GLY A 357 52.965 13.318 6.274 1.00 0.00 H new ATOM 759 N SER A 358 54.303 11.607 4.450 1.00 0.00 N ATOM 760 CA SER A 358 55.215 11.322 3.350 1.00 0.00 C ATOM 761 C SER A 358 54.474 10.673 2.187 1.00 0.00 C ATOM 762 O SER A 358 54.714 11.002 1.025 1.00 0.00 O ATOM 763 CB SER A 358 56.333 10.394 3.822 1.00 0.00 C ATOM 764 OG SER A 358 57.128 11.069 4.787 1.00 0.00 O ATOM 0 H SER A 358 54.481 11.073 5.300 1.00 0.00 H new ATOM 0 HA SER A 358 55.643 12.265 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 358 55.910 9.486 4.253 1.00 0.00 H new ATOM 0 HB3 SER A 358 56.949 10.088 2.976 1.00 0.00 H new ATOM 0 HG SER A 358 56.671 11.057 5.654 1.00 0.00 H new ATOM 770 N LEU A 359 53.578 9.746 2.507 1.00 0.00 N ATOM 771 CA LEU A 359 52.815 9.053 1.477 1.00 0.00 C ATOM 772 C LEU A 359 51.925 10.039 0.727 1.00 0.00 C ATOM 773 O LEU A 359 51.835 10.001 -0.500 1.00 0.00 O ATOM 774 CB LEU A 359 51.958 7.950 2.113 1.00 0.00 C ATOM 775 CG LEU A 359 51.171 7.197 1.030 1.00 0.00 C ATOM 776 CD1 LEU A 359 52.142 6.535 0.047 1.00 0.00 C ATOM 777 CD2 LEU A 359 50.314 6.113 1.690 1.00 0.00 C ATOM 0 H LEU A 359 53.364 9.459 3.462 1.00 0.00 H new ATOM 0 HA LEU A 359 53.510 8.600 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 359 52.595 7.254 2.659 1.00 0.00 H new ATOM 0 HB3 LEU A 359 51.269 8.387 2.836 1.00 0.00 H new ATOM 0 HG LEU A 359 50.535 7.901 0.494 1.00 0.00 H new ATOM 0 HD11 LEU A 359 51.578 6.002 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 359 52.761 7.299 -0.424 1.00 0.00 H new ATOM 0 HD13 LEU A 359 52.779 5.832 0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 359 49.754 5.576 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 359 50.958 5.415 2.225 1.00 0.00 H new ATOM 0 HD23 LEU A 359 49.619 6.575 2.391 1.00 0.00 H new ATOM 789 N ALA A 360 51.266 10.917 1.473 1.00 0.00 N ATOM 790 CA ALA A 360 50.380 11.907 0.871 1.00 0.00 C ATOM 791 C ALA A 360 51.157 12.830 -0.061 1.00 0.00 C ATOM 792 O ALA A 360 50.676 13.194 -1.133 1.00 0.00 O ATOM 793 CB ALA A 360 49.698 12.734 1.963 1.00 0.00 C ATOM 0 H ALA A 360 51.327 10.964 2.490 1.00 0.00 H new ATOM 0 HA ALA A 360 49.623 11.380 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 360 49.039 13.470 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 360 49.114 12.076 2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 360 50.455 13.246 2.558 1.00 0.00 H new ATOM 1099 N LYS B 25 37.258 -5.333 -2.856 1.00 0.00 N ATOM 1100 CA LYS B 25 38.634 -4.963 -3.168 1.00 0.00 C ATOM 1101 C LYS B 25 39.321 -4.369 -1.941 1.00 0.00 C ATOM 1102 O LYS B 25 40.490 -4.648 -1.675 1.00 0.00 O ATOM 1103 CB LYS B 25 38.647 -3.945 -4.310 1.00 0.00 C ATOM 1104 CG LYS B 25 38.255 -4.634 -5.619 1.00 0.00 C ATOM 1105 CD LYS B 25 39.497 -5.233 -6.281 1.00 0.00 C ATOM 1106 CE LYS B 25 40.107 -4.205 -7.233 1.00 0.00 C ATOM 1107 NZ LYS B 25 39.414 -4.277 -8.551 1.00 0.00 N ATOM 0 HA LYS B 25 39.176 -5.859 -3.471 1.00 0.00 H new ATOM 0 HB2 LYS B 25 37.954 -3.132 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS B 25 39.638 -3.502 -4.404 1.00 0.00 H new ATOM 0 HG2 LYS B 25 37.522 -5.417 -5.423 1.00 0.00 H new ATOM 0 HG3 LYS B 25 37.783 -3.917 -6.291 1.00 0.00 H new ATOM 0 HD2 LYS B 25 40.225 -5.520 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS B 25 39.232 -6.138 -6.827 1.00 0.00 H new ATOM 0 HE2 LYS B 25 40.011 -3.203 -6.814 1.00 0.00 H new ATOM 0 HE3 LYS B 25 41.172 -4.397 -7.359 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 39.828 -3.578 -9.200 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 39.527 -5.230 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 38.402 -4.073 -8.423 1.00 0.00 H new ATOM 1121 N ARG B 26 38.586 -3.552 -1.195 1.00 0.00 N ATOM 1122 CA ARG B 26 39.137 -2.929 0.005 1.00 0.00 C ATOM 1123 C ARG B 26 39.511 -3.991 1.035 1.00 0.00 C ATOM 1124 O ARG B 26 40.554 -3.904 1.683 1.00 0.00 O ATOM 1125 CB ARG B 26 38.104 -1.979 0.609 1.00 0.00 C ATOM 1126 CG ARG B 26 37.936 -0.762 -0.301 1.00 0.00 C ATOM 1127 CD ARG B 26 36.763 0.082 0.193 1.00 0.00 C ATOM 1128 NE ARG B 26 36.627 1.284 -0.623 1.00 0.00 N ATOM 1129 CZ ARG B 26 36.016 1.249 -1.802 1.00 0.00 C ATOM 1130 NH1 ARG B 26 35.523 0.126 -2.248 1.00 0.00 N ATOM 1131 NH2 ARG B 26 35.910 2.336 -2.516 1.00 0.00 N ATOM 0 H ARG B 26 37.617 -3.307 -1.396 1.00 0.00 H new ATOM 0 HA ARG B 26 40.033 -2.374 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG B 26 37.149 -2.491 0.729 1.00 0.00 H new ATOM 0 HB3 ARG B 26 38.422 -1.662 1.602 1.00 0.00 H new ATOM 0 HG2 ARG B 26 38.850 -0.168 -0.305 1.00 0.00 H new ATOM 0 HG3 ARG B 26 37.760 -1.083 -1.328 1.00 0.00 H new ATOM 0 HD2 ARG B 26 35.843 -0.501 0.151 1.00 0.00 H new ATOM 0 HD3 ARG B 26 36.918 0.358 1.236 1.00 0.00 H new ATOM 0 HE ARG B 26 37.008 2.167 -0.282 1.00 0.00 H new ATOM 0 HH11 ARG B 26 35.607 -0.725 -1.691 1.00 0.00 H new ATOM 0 HH12 ARG B 26 35.054 0.099 -3.153 1.00 0.00 H new ATOM 0 HH21 ARG B 26 36.297 3.214 -2.169 1.00 0.00 H new ATOM 0 HH22 ARG B 26 35.441 2.308 -3.421 1.00 0.00 H new ATOM 1145 N ALA B 27 38.653 -4.996 1.176 1.00 0.00 N ATOM 1146 CA ALA B 27 38.906 -6.074 2.127 1.00 0.00 C ATOM 1147 C ALA B 27 40.178 -6.827 1.751 1.00 0.00 C ATOM 1148 O ALA B 27 40.970 -7.199 2.618 1.00 0.00 O ATOM 1149 CB ALA B 27 37.725 -7.046 2.149 1.00 0.00 C ATOM 0 H ALA B 27 37.784 -5.087 0.650 1.00 0.00 H new ATOM 0 HA ALA B 27 39.031 -5.636 3.117 1.00 0.00 H new ATOM 0 HB1 ALA B 27 37.925 -7.846 2.862 1.00 0.00 H new ATOM 0 HB2 ALA B 27 36.821 -6.514 2.445 1.00 0.00 H new ATOM 0 HB3 ALA B 27 37.586 -7.472 1.155 1.00 0.00 H new ATOM 1155 N ALA B 28 40.364 -7.050 0.455 1.00 0.00 N ATOM 1156 CA ALA B 28 41.543 -7.762 -0.025 1.00 0.00 C ATOM 1157 C ALA B 28 42.811 -7.003 0.346 1.00 0.00 C ATOM 1158 O ALA B 28 43.812 -7.603 0.742 1.00 0.00 O ATOM 1159 CB ALA B 28 41.472 -7.926 -1.544 1.00 0.00 C ATOM 0 H ALA B 28 39.720 -6.751 -0.277 1.00 0.00 H new ATOM 0 HA ALA B 28 41.568 -8.745 0.445 1.00 0.00 H new ATOM 0 HB1 ALA B 28 42.356 -8.459 -1.894 1.00 0.00 H new ATOM 0 HB2 ALA B 28 40.579 -8.493 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA B 28 41.430 -6.944 -2.014 1.00 0.00 H new ATOM 1165 N ALA B 29 42.763 -5.680 0.217 1.00 0.00 N ATOM 1166 CA ALA B 29 43.918 -4.854 0.545 1.00 0.00 C ATOM 1167 C ALA B 29 44.282 -5.009 2.018 1.00 0.00 C ATOM 1168 O ALA B 29 45.455 -5.133 2.368 1.00 0.00 O ATOM 1169 CB ALA B 29 43.608 -3.385 0.242 1.00 0.00 C ATOM 0 H ALA B 29 41.946 -5.163 -0.109 1.00 0.00 H new ATOM 0 HA ALA B 29 44.763 -5.179 -0.062 1.00 0.00 H new ATOM 0 HB1 ALA B 29 44.475 -2.772 0.489 1.00 0.00 H new ATOM 0 HB2 ALA B 29 43.374 -3.273 -0.817 1.00 0.00 H new ATOM 0 HB3 ALA B 29 42.754 -3.063 0.838 1.00 0.00 H new ATOM 1175 N LYS B 30 43.265 -5.010 2.875 1.00 0.00 N ATOM 1176 CA LYS B 30 43.488 -5.161 4.309 1.00 0.00 C ATOM 1177 C LYS B 30 44.106 -6.521 4.620 1.00 0.00 C ATOM 1178 O LYS B 30 45.019 -6.627 5.437 1.00 0.00 O ATOM 1179 CB LYS B 30 42.166 -4.999 5.068 1.00 0.00 C ATOM 1180 CG LYS B 30 42.411 -5.151 6.572 1.00 0.00 C ATOM 1181 CD LYS B 30 41.117 -4.862 7.334 1.00 0.00 C ATOM 1182 CE LYS B 30 41.107 -5.656 8.642 1.00 0.00 C ATOM 1183 NZ LYS B 30 39.916 -6.551 8.672 1.00 0.00 N ATOM 0 H LYS B 30 42.287 -4.909 2.605 1.00 0.00 H new ATOM 0 HA LYS B 30 44.182 -4.385 4.632 1.00 0.00 H new ATOM 0 HB2 LYS B 30 41.732 -4.021 4.858 1.00 0.00 H new ATOM 0 HB3 LYS B 30 41.448 -5.746 4.730 1.00 0.00 H new ATOM 0 HG2 LYS B 30 42.758 -6.160 6.794 1.00 0.00 H new ATOM 0 HG3 LYS B 30 43.195 -4.466 6.894 1.00 0.00 H new ATOM 0 HD2 LYS B 30 41.036 -3.795 7.543 1.00 0.00 H new ATOM 0 HD3 LYS B 30 40.255 -5.134 6.725 1.00 0.00 H new ATOM 0 HE2 LYS B 30 42.020 -6.245 8.729 1.00 0.00 H new ATOM 0 HE3 LYS B 30 41.085 -4.975 9.493 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 39.909 -7.091 9.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 39.050 -5.979 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 39.956 -7.209 7.868 1.00 0.00 H new ATOM 1197 N HIS B 31 43.595 -7.558 3.967 1.00 0.00 N ATOM 1198 CA HIS B 31 44.095 -8.910 4.184 1.00 0.00 C ATOM 1199 C HIS B 31 45.577 -9.001 3.841 1.00 0.00 C ATOM 1200 O HIS B 31 46.364 -9.567 4.599 1.00 0.00 O ATOM 1201 CB HIS B 31 43.311 -9.894 3.315 1.00 0.00 C ATOM 1202 CG HIS B 31 42.665 -10.931 4.189 1.00 0.00 C ATOM 1203 ND1 HIS B 31 41.576 -10.641 4.994 1.00 0.00 N ATOM 1204 CD2 HIS B 31 42.943 -12.259 4.397 1.00 0.00 C ATOM 1205 CE1 HIS B 31 41.240 -11.770 5.643 1.00 0.00 C ATOM 1206 NE2 HIS B 31 42.041 -12.787 5.315 1.00 0.00 N ATOM 0 H HIS B 31 42.839 -7.489 3.286 1.00 0.00 H new ATOM 0 HA HIS B 31 43.965 -9.161 5.237 1.00 0.00 H new ATOM 0 HB2 HIS B 31 42.552 -9.363 2.741 1.00 0.00 H new ATOM 0 HB3 HIS B 31 43.977 -10.372 2.597 1.00 0.00 H new ATOM 0 HD2 HIS B 31 43.740 -12.810 3.921 1.00 0.00 H new ATOM 0 HE1 HIS B 31 40.422 -11.845 6.344 1.00 0.00 H new ATOM 0 HE2 HIS B 31 42.000 -13.745 5.663 1.00 0.00 H new ATOM 1215 N LEU B 32 45.951 -8.445 2.696 1.00 0.00 N ATOM 1216 CA LEU B 32 47.341 -8.477 2.267 1.00 0.00 C ATOM 1217 C LEU B 32 48.217 -7.725 3.260 1.00 0.00 C ATOM 1218 O LEU B 32 49.286 -8.195 3.639 1.00 0.00 O ATOM 1219 CB LEU B 32 47.467 -7.834 0.882 1.00 0.00 C ATOM 1220 CG LEU B 32 46.806 -8.732 -0.171 1.00 0.00 C ATOM 1221 CD1 LEU B 32 46.753 -7.995 -1.511 1.00 0.00 C ATOM 1222 CD2 LEU B 32 47.601 -10.035 -0.340 1.00 0.00 C ATOM 0 H LEU B 32 45.317 -7.971 2.053 1.00 0.00 H new ATOM 0 HA LEU B 32 47.671 -9.515 2.219 1.00 0.00 H new ATOM 0 HB2 LEU B 32 46.995 -6.851 0.883 1.00 0.00 H new ATOM 0 HB3 LEU B 32 48.518 -7.682 0.636 1.00 0.00 H new ATOM 0 HG LEU B 32 45.796 -8.974 0.160 1.00 0.00 H new ATOM 0 HD11 LEU B 32 46.283 -8.634 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU B 32 46.173 -7.079 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU B 32 47.765 -7.747 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU B 32 47.118 -10.661 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU B 32 48.617 -9.803 -0.660 1.00 0.00 H new ATOM 0 HD23 LEU B 32 47.633 -10.568 0.610 1.00 0.00 H new ATOM 1234 N ILE B 33 47.745 -6.561 3.695 1.00 0.00 N ATOM 1235 CA ILE B 33 48.492 -5.762 4.656 1.00 0.00 C ATOM 1236 C ILE B 33 48.644 -6.521 5.967 1.00 0.00 C ATOM 1237 O ILE B 33 49.726 -6.563 6.553 1.00 0.00 O ATOM 1238 CB ILE B 33 47.775 -4.438 4.908 1.00 0.00 C ATOM 1239 CG1 ILE B 33 47.856 -3.573 3.647 1.00 0.00 C ATOM 1240 CG2 ILE B 33 48.449 -3.708 6.071 1.00 0.00 C ATOM 1241 CD1 ILE B 33 46.905 -2.383 3.783 1.00 0.00 C ATOM 0 H ILE B 33 46.857 -6.154 3.400 1.00 0.00 H new ATOM 0 HA ILE B 33 49.481 -5.560 4.246 1.00 0.00 H new ATOM 0 HB ILE B 33 46.731 -4.628 5.155 1.00 0.00 H new ATOM 0 HG12 ILE B 33 48.877 -3.221 3.499 1.00 0.00 H new ATOM 0 HG13 ILE B 33 47.593 -4.164 2.770 1.00 0.00 H new ATOM 0 HG21 ILE B 33 47.938 -2.762 6.252 1.00 0.00 H new ATOM 0 HG22 ILE B 33 48.397 -4.326 6.967 1.00 0.00 H new ATOM 0 HG23 ILE B 33 49.493 -3.515 5.823 1.00 0.00 H new ATOM 0 HD11 ILE B 33 46.962 -1.767 2.886 1.00 0.00 H new ATOM 0 HD12 ILE B 33 45.885 -2.745 3.910 1.00 0.00 H new ATOM 0 HD13 ILE B 33 47.189 -1.787 4.651 1.00 0.00 H new ATOM 1253 N GLU B 34 47.551 -7.123 6.422 1.00 0.00 N ATOM 1254 CA GLU B 34 47.571 -7.879 7.664 1.00 0.00 C ATOM 1255 C GLU B 34 48.549 -9.043 7.562 1.00 0.00 C ATOM 1256 O GLU B 34 49.317 -9.297 8.490 1.00 0.00 O ATOM 1257 CB GLU B 34 46.165 -8.401 7.977 1.00 0.00 C ATOM 1258 CG GLU B 34 46.188 -9.169 9.300 1.00 0.00 C ATOM 1259 CD GLU B 34 44.771 -9.549 9.712 1.00 0.00 C ATOM 1260 OE1 GLU B 34 43.852 -9.223 8.978 1.00 0.00 O ATOM 1261 OE2 GLU B 34 44.623 -10.156 10.761 1.00 0.00 O ATOM 0 H GLU B 34 46.646 -7.102 5.951 1.00 0.00 H new ATOM 0 HA GLU B 34 47.897 -7.221 8.470 1.00 0.00 H new ATOM 0 HB2 GLU B 34 45.463 -7.570 8.039 1.00 0.00 H new ATOM 0 HB3 GLU B 34 45.820 -9.051 7.173 1.00 0.00 H new ATOM 0 HG2 GLU B 34 46.798 -10.067 9.197 1.00 0.00 H new ATOM 0 HG3 GLU B 34 46.649 -8.558 10.076 1.00 0.00 H new ATOM 1268 N ARG B 35 48.521 -9.743 6.430 1.00 0.00 N ATOM 1269 CA ARG B 35 49.422 -10.873 6.230 1.00 0.00 C ATOM 1270 C ARG B 35 50.877 -10.417 6.223 1.00 0.00 C ATOM 1271 O ARG B 35 51.743 -11.077 6.798 1.00 0.00 O ATOM 1272 CB ARG B 35 49.103 -11.568 4.905 1.00 0.00 C ATOM 1273 CG ARG B 35 47.784 -12.334 5.024 1.00 0.00 C ATOM 1274 CD ARG B 35 48.053 -13.747 5.552 1.00 0.00 C ATOM 1275 NE ARG B 35 46.803 -14.489 5.665 1.00 0.00 N ATOM 1276 CZ ARG B 35 46.292 -15.136 4.623 1.00 0.00 C ATOM 1277 NH1 ARG B 35 46.907 -15.109 3.471 1.00 0.00 N ATOM 1278 NH2 ARG B 35 45.174 -15.795 4.750 1.00 0.00 N ATOM 0 H ARG B 35 47.894 -9.551 5.649 1.00 0.00 H new ATOM 0 HA ARG B 35 49.278 -11.570 7.056 1.00 0.00 H new ATOM 0 HB2 ARG B 35 49.035 -10.831 4.105 1.00 0.00 H new ATOM 0 HB3 ARG B 35 49.909 -12.253 4.640 1.00 0.00 H new ATOM 0 HG2 ARG B 35 47.106 -11.807 5.696 1.00 0.00 H new ATOM 0 HG3 ARG B 35 47.293 -12.386 4.052 1.00 0.00 H new ATOM 0 HD2 ARG B 35 48.735 -14.270 4.882 1.00 0.00 H new ATOM 0 HD3 ARG B 35 48.541 -13.693 6.525 1.00 0.00 H new ATOM 0 HE ARG B 35 46.313 -14.512 6.559 1.00 0.00 H new ATOM 0 HH11 ARG B 35 47.780 -14.591 3.371 1.00 0.00 H new ATOM 0 HH12 ARG B 35 46.514 -15.606 2.671 1.00 0.00 H new ATOM 0 HH21 ARG B 35 44.692 -15.814 5.649 1.00 0.00 H new ATOM 0 HH22 ARG B 35 44.781 -16.292 3.950 1.00 0.00 H new ATOM 1292 N TYR B 36 51.143 -9.290 5.570 1.00 0.00 N ATOM 1293 CA TYR B 36 52.503 -8.770 5.501 1.00 0.00 C ATOM 1294 C TYR B 36 53.010 -8.359 6.879 1.00 0.00 C ATOM 1295 O TYR B 36 54.163 -8.611 7.224 1.00 0.00 O ATOM 1296 CB TYR B 36 52.553 -7.548 4.580 1.00 0.00 C ATOM 1297 CG TYR B 36 52.515 -7.996 3.138 1.00 0.00 C ATOM 1298 CD1 TYR B 36 51.567 -7.455 2.260 1.00 0.00 C ATOM 1299 CD2 TYR B 36 53.427 -8.953 2.680 1.00 0.00 C ATOM 1300 CE1 TYR B 36 51.531 -7.872 0.925 1.00 0.00 C ATOM 1301 CE2 TYR B 36 53.391 -9.371 1.344 1.00 0.00 C ATOM 1302 CZ TYR B 36 52.443 -8.829 0.466 1.00 0.00 C ATOM 1303 OH TYR B 36 52.409 -9.241 -0.850 1.00 0.00 O ATOM 0 H TYR B 36 50.444 -8.726 5.087 1.00 0.00 H new ATOM 0 HA TYR B 36 53.138 -9.565 5.110 1.00 0.00 H new ATOM 0 HB2 TYR B 36 51.710 -6.889 4.788 1.00 0.00 H new ATOM 0 HB3 TYR B 36 53.461 -6.975 4.769 1.00 0.00 H new ATOM 0 HD1 TYR B 36 50.864 -6.716 2.614 1.00 0.00 H new ATOM 0 HD2 TYR B 36 54.159 -9.369 3.357 1.00 0.00 H new ATOM 0 HE1 TYR B 36 50.799 -7.455 0.249 1.00 0.00 H new ATOM 0 HE2 TYR B 36 54.094 -10.111 0.990 1.00 0.00 H new ATOM 0 HH TYR B 36 53.311 -9.497 -1.136 1.00 0.00 H new ATOM 1313 N TYR B 37 52.137 -7.744 7.665 1.00 0.00 N ATOM 1314 CA TYR B 37 52.504 -7.320 9.010 1.00 0.00 C ATOM 1315 C TYR B 37 52.868 -8.518 9.875 1.00 0.00 C ATOM 1316 O TYR B 37 53.909 -8.529 10.530 1.00 0.00 O ATOM 1317 CB TYR B 37 51.345 -6.557 9.654 1.00 0.00 C ATOM 1318 CG TYR B 37 51.717 -6.171 11.067 1.00 0.00 C ATOM 1319 CD1 TYR B 37 52.556 -5.072 11.295 1.00 0.00 C ATOM 1320 CD2 TYR B 37 51.223 -6.910 12.148 1.00 0.00 C ATOM 1321 CE1 TYR B 37 52.898 -4.713 12.604 1.00 0.00 C ATOM 1322 CE2 TYR B 37 51.568 -6.550 13.457 1.00 0.00 C ATOM 1323 CZ TYR B 37 52.405 -5.452 13.685 1.00 0.00 C ATOM 1324 OH TYR B 37 52.742 -5.097 14.974 1.00 0.00 O ATOM 0 H TYR B 37 51.177 -7.529 7.398 1.00 0.00 H new ATOM 0 HA TYR B 37 53.373 -6.666 8.935 1.00 0.00 H new ATOM 0 HB2 TYR B 37 51.115 -5.665 9.071 1.00 0.00 H new ATOM 0 HB3 TYR B 37 50.447 -7.175 9.659 1.00 0.00 H new ATOM 0 HD1 TYR B 37 52.939 -4.502 10.461 1.00 0.00 H new ATOM 0 HD2 TYR B 37 50.576 -7.757 11.973 1.00 0.00 H new ATOM 0 HE1 TYR B 37 53.543 -3.865 12.780 1.00 0.00 H new ATOM 0 HE2 TYR B 37 51.188 -7.121 14.291 1.00 0.00 H new ATOM 0 HH TYR B 37 51.945 -4.772 15.443 1.00 0.00 H new ATOM 1334 N HIS B 38 52.003 -9.528 9.873 1.00 0.00 N ATOM 1335 CA HIS B 38 52.251 -10.724 10.665 1.00 0.00 C ATOM 1336 C HIS B 38 53.489 -11.452 10.162 1.00 0.00 C ATOM 1337 O HIS B 38 54.307 -11.923 10.951 1.00 0.00 O ATOM 1338 CB HIS B 38 51.041 -11.660 10.594 1.00 0.00 C ATOM 1339 CG HIS B 38 49.924 -11.101 11.432 1.00 0.00 C ATOM 1340 ND1 HIS B 38 49.899 -11.234 12.811 1.00 0.00 N ATOM 1341 CD2 HIS B 38 48.787 -10.408 11.101 1.00 0.00 C ATOM 1342 CE1 HIS B 38 48.778 -10.635 13.255 1.00 0.00 C ATOM 1343 NE2 HIS B 38 48.065 -10.115 12.253 1.00 0.00 N ATOM 0 H HIS B 38 51.135 -9.541 9.338 1.00 0.00 H new ATOM 0 HA HIS B 38 52.416 -10.423 11.700 1.00 0.00 H new ATOM 0 HB2 HIS B 38 50.714 -11.771 9.560 1.00 0.00 H new ATOM 0 HB3 HIS B 38 51.315 -12.653 10.950 1.00 0.00 H new ATOM 0 HD2 HIS B 38 48.497 -10.132 10.098 1.00 0.00 H new ATOM 0 HE1 HIS B 38 48.491 -10.582 14.295 1.00 0.00 H new ATOM 0 HE2 HIS B 38 47.181 -9.611 12.318 1.00 0.00 H new ATOM 1352 N GLN B 39 53.626 -11.540 8.844 1.00 0.00 N ATOM 1353 CA GLN B 39 54.774 -12.212 8.254 1.00 0.00 C ATOM 1354 C GLN B 39 56.069 -11.479 8.567 1.00 0.00 C ATOM 1355 O GLN B 39 57.082 -12.098 8.890 1.00 0.00 O ATOM 1356 CB GLN B 39 54.612 -12.289 6.732 1.00 0.00 C ATOM 1357 CG GLN B 39 55.660 -13.239 6.140 1.00 0.00 C ATOM 1358 CD GLN B 39 55.178 -13.764 4.792 1.00 0.00 C ATOM 1359 OE1 GLN B 39 55.576 -13.253 3.746 1.00 0.00 O ATOM 1360 NE2 GLN B 39 54.333 -14.758 4.755 1.00 0.00 N ATOM 0 H GLN B 39 52.962 -11.158 8.170 1.00 0.00 H new ATOM 0 HA GLN B 39 54.822 -13.213 8.682 1.00 0.00 H new ATOM 0 HB2 GLN B 39 53.610 -12.638 6.482 1.00 0.00 H new ATOM 0 HB3 GLN B 39 54.722 -11.296 6.296 1.00 0.00 H new ATOM 0 HG2 GLN B 39 56.610 -12.718 6.019 1.00 0.00 H new ATOM 0 HG3 GLN B 39 55.837 -14.070 6.822 1.00 0.00 H new ATOM 0 HE21 GLN B 39 54.004 -15.180 5.623 1.00 0.00 H new ATOM 0 HE22 GLN B 39 54.002 -15.112 3.858 1.00 0.00 H new ATOM 1369 N LEU B 40 56.028 -10.155 8.477 1.00 0.00 N ATOM 1370 CA LEU B 40 57.206 -9.354 8.764 1.00 0.00 C ATOM 1371 C LEU B 40 57.544 -9.413 10.250 1.00 0.00 C ATOM 1372 O LEU B 40 58.709 -9.525 10.627 1.00 0.00 O ATOM 1373 CB LEU B 40 56.964 -7.899 8.349 1.00 0.00 C ATOM 1374 CG LEU B 40 58.235 -7.069 8.572 1.00 0.00 C ATOM 1375 CD1 LEU B 40 59.364 -7.590 7.676 1.00 0.00 C ATOM 1376 CD2 LEU B 40 57.953 -5.610 8.226 1.00 0.00 C ATOM 0 H LEU B 40 55.201 -9.621 8.211 1.00 0.00 H new ATOM 0 HA LEU B 40 58.044 -9.758 8.196 1.00 0.00 H new ATOM 0 HB2 LEU B 40 56.671 -7.856 7.300 1.00 0.00 H new ATOM 0 HB3 LEU B 40 56.140 -7.480 8.927 1.00 0.00 H new ATOM 0 HG LEU B 40 58.537 -7.151 9.616 1.00 0.00 H new ATOM 0 HD11 LEU B 40 60.263 -6.995 7.840 1.00 0.00 H new ATOM 0 HD12 LEU B 40 59.569 -8.633 7.919 1.00 0.00 H new ATOM 0 HD13 LEU B 40 59.064 -7.513 6.631 1.00 0.00 H new ATOM 0 HD21 LEU B 40 58.854 -5.018 8.384 1.00 0.00 H new ATOM 0 HD22 LEU B 40 57.648 -5.536 7.182 1.00 0.00 H new ATOM 0 HD23 LEU B 40 57.155 -5.232 8.865 1.00 0.00 H new ATOM 1388 N THR B 41 56.519 -9.321 11.089 1.00 0.00 N ATOM 1389 CA THR B 41 56.725 -9.350 12.531 1.00 0.00 C ATOM 1390 C THR B 41 57.125 -10.746 12.994 1.00 0.00 C ATOM 1391 O THR B 41 57.835 -10.898 13.987 1.00 0.00 O ATOM 1392 CB THR B 41 55.446 -8.913 13.249 1.00 0.00 C ATOM 1393 OG1 THR B 41 54.387 -9.792 12.901 1.00 0.00 O ATOM 1394 CG2 THR B 41 55.087 -7.483 12.832 1.00 0.00 C ATOM 0 H THR B 41 55.546 -9.227 10.799 1.00 0.00 H new ATOM 0 HA THR B 41 57.533 -8.660 12.776 1.00 0.00 H new ATOM 0 HB THR B 41 55.604 -8.944 14.327 1.00 0.00 H new ATOM 0 HG1 THR B 41 54.040 -9.553 12.016 1.00 0.00 H new ATOM 0 HG21 THR B 41 54.176 -7.173 13.344 1.00 0.00 H new ATOM 0 HG22 THR B 41 55.901 -6.810 13.101 1.00 0.00 H new ATOM 0 HG23 THR B 41 54.928 -7.447 11.754 1.00 0.00 H new ATOM 1402 N GLU B 42 56.663 -11.761 12.269 1.00 0.00 N ATOM 1403 CA GLU B 42 56.977 -13.140 12.619 1.00 0.00 C ATOM 1404 C GLU B 42 58.013 -13.720 11.661 1.00 0.00 C ATOM 1405 O GLU B 42 59.185 -13.855 12.012 1.00 0.00 O ATOM 1406 CB GLU B 42 55.706 -13.987 12.566 1.00 0.00 C ATOM 1407 CG GLU B 42 54.661 -13.402 13.518 1.00 0.00 C ATOM 1408 CD GLU B 42 55.142 -13.526 14.960 1.00 0.00 C ATOM 1409 OE1 GLU B 42 56.023 -14.334 15.203 1.00 0.00 O ATOM 1410 OE2 GLU B 42 54.620 -12.814 15.800 1.00 0.00 O ATOM 0 H GLU B 42 56.075 -11.655 11.442 1.00 0.00 H new ATOM 0 HA GLU B 42 57.388 -13.154 13.628 1.00 0.00 H new ATOM 0 HB2 GLU B 42 55.314 -14.010 11.549 1.00 0.00 H new ATOM 0 HB3 GLU B 42 55.931 -15.017 12.844 1.00 0.00 H new ATOM 0 HG2 GLU B 42 54.481 -12.355 13.275 1.00 0.00 H new ATOM 0 HG3 GLU B 42 53.713 -13.925 13.396 1.00 0.00 H new ATOM 1417 N GLY B 43 57.571 -14.063 10.454 1.00 0.00 N ATOM 1418 CA GLY B 43 58.490 -14.549 9.428 1.00 0.00 C ATOM 1419 C GLY B 43 57.848 -15.733 8.718 1.00 0.00 C ATOM 1420 O GLY B 43 56.624 -15.853 8.671 1.00 0.00 O ATOM 0 H GLY B 43 56.594 -14.015 10.164 1.00 0.00 H new ATOM 0 HA2 GLY B 43 58.713 -13.756 8.714 1.00 0.00 H new ATOM 0 HA3 GLY B 43 59.436 -14.847 9.879 1.00 0.00 H new ATOM 1424 N CYS B 44 58.684 -16.606 8.169 1.00 0.00 N ATOM 1425 CA CYS B 44 58.181 -17.783 7.465 1.00 0.00 C ATOM 1426 C CYS B 44 58.225 -19.010 8.368 1.00 0.00 C ATOM 1427 O CYS B 44 57.629 -20.042 8.058 1.00 0.00 O ATOM 1428 CB CYS B 44 59.008 -18.038 6.202 1.00 0.00 C ATOM 1429 SG CYS B 44 60.777 -17.998 6.601 1.00 0.00 S ATOM 0 H CYS B 44 59.700 -16.525 8.196 1.00 0.00 H new ATOM 0 HA CYS B 44 57.145 -17.595 7.182 1.00 0.00 H new ATOM 0 HB2 CYS B 44 58.745 -19.005 5.774 1.00 0.00 H new ATOM 0 HB3 CYS B 44 58.779 -17.284 5.449 1.00 0.00 H new ATOM 0 HG CYS B 44 61.429 -17.440 5.625 1.00 0.00 H new ATOM 1434 N GLY B 45 58.923 -18.887 9.490 1.00 0.00 N ATOM 1435 CA GLY B 45 59.023 -19.990 10.439 1.00 0.00 C ATOM 1436 C GLY B 45 60.221 -20.877 10.119 1.00 0.00 C ATOM 1437 O GLY B 45 60.677 -21.649 10.962 1.00 0.00 O ATOM 0 H GLY B 45 59.425 -18.042 9.764 1.00 0.00 H new ATOM 0 HA2 GLY B 45 59.117 -19.597 11.451 1.00 0.00 H new ATOM 0 HA3 GLY B 45 58.109 -20.583 10.411 1.00 0.00 H new ATOM 1441 N ASN B 46 60.725 -20.760 8.894 1.00 0.00 N ATOM 1442 CA ASN B 46 61.868 -21.557 8.472 1.00 0.00 C ATOM 1443 C ASN B 46 63.140 -21.076 9.158 1.00 0.00 C ATOM 1444 O ASN B 46 63.366 -19.874 9.299 1.00 0.00 O ATOM 1445 CB ASN B 46 62.039 -21.465 6.954 1.00 0.00 C ATOM 1446 CG ASN B 46 60.915 -22.222 6.253 1.00 0.00 C ATOM 1447 OD1 ASN B 46 60.274 -23.082 6.856 1.00 0.00 O ATOM 1448 ND2 ASN B 46 60.636 -21.951 5.007 1.00 0.00 N ATOM 0 H ASN B 46 60.362 -20.126 8.182 1.00 0.00 H new ATOM 0 HA ASN B 46 61.686 -22.594 8.755 1.00 0.00 H new ATOM 0 HB2 ASN B 46 62.034 -20.421 6.642 1.00 0.00 H new ATOM 0 HB3 ASN B 46 63.004 -21.880 6.663 1.00 0.00 H new ATOM 0 HD21 ASN B 46 59.886 -22.452 4.532 1.00 0.00 H new ATOM 0 HD22 ASN B 46 61.168 -21.238 4.509 1.00 0.00 H new ATOM 1455 N GLU B 47 63.967 -22.023 9.579 1.00 0.00 N ATOM 1456 CA GLU B 47 65.219 -21.690 10.248 1.00 0.00 C ATOM 1457 C GLU B 47 66.141 -20.922 9.307 1.00 0.00 C ATOM 1458 O GLU B 47 66.810 -19.975 9.719 1.00 0.00 O ATOM 1459 CB GLU B 47 65.914 -22.966 10.723 1.00 0.00 C ATOM 1460 CG GLU B 47 65.131 -23.569 11.891 1.00 0.00 C ATOM 1461 CD GLU B 47 65.692 -24.943 12.242 1.00 0.00 C ATOM 1462 OE1 GLU B 47 66.439 -25.478 11.440 1.00 0.00 O ATOM 1463 OE2 GLU B 47 65.365 -25.440 13.307 1.00 0.00 O ATOM 0 H GLU B 47 63.796 -23.023 9.471 1.00 0.00 H new ATOM 0 HA GLU B 47 64.993 -21.061 11.109 1.00 0.00 H new ATOM 0 HB2 GLU B 47 65.978 -23.684 9.905 1.00 0.00 H new ATOM 0 HB3 GLU B 47 66.935 -22.743 11.032 1.00 0.00 H new ATOM 0 HG2 GLU B 47 65.191 -22.911 12.758 1.00 0.00 H new ATOM 0 HG3 GLU B 47 64.077 -23.654 11.627 1.00 0.00 H new ATOM 1470 N ALA B 48 66.164 -21.337 8.042 1.00 0.00 N ATOM 1471 CA ALA B 48 67.004 -20.682 7.045 1.00 0.00 C ATOM 1472 C ALA B 48 66.144 -20.036 5.965 1.00 0.00 C ATOM 1473 O ALA B 48 65.300 -20.691 5.356 1.00 0.00 O ATOM 1474 CB ALA B 48 67.945 -21.705 6.404 1.00 0.00 C ATOM 0 H ALA B 48 65.614 -22.119 7.686 1.00 0.00 H new ATOM 0 HA ALA B 48 67.590 -19.908 7.541 1.00 0.00 H new ATOM 0 HB1 ALA B 48 68.569 -21.209 5.661 1.00 0.00 H new ATOM 0 HB2 ALA B 48 68.578 -22.148 7.172 1.00 0.00 H new ATOM 0 HB3 ALA B 48 67.358 -22.487 5.922 1.00 0.00 H new ATOM 1480 N CYS B 49 66.366 -18.746 5.734 1.00 0.00 N ATOM 1481 CA CYS B 49 65.607 -18.020 4.725 1.00 0.00 C ATOM 1482 C CYS B 49 66.508 -17.031 3.995 1.00 0.00 C ATOM 1483 O CYS B 49 67.216 -16.244 4.625 1.00 0.00 O ATOM 1484 CB CYS B 49 64.447 -17.269 5.385 1.00 0.00 C ATOM 1485 SG CYS B 49 63.468 -16.435 4.115 1.00 0.00 S ATOM 0 H CYS B 49 67.061 -18.186 6.229 1.00 0.00 H new ATOM 0 HA CYS B 49 65.211 -18.736 4.005 1.00 0.00 H new ATOM 0 HB2 CYS B 49 63.821 -17.964 5.944 1.00 0.00 H new ATOM 0 HB3 CYS B 49 64.831 -16.541 6.100 1.00 0.00 H new ATOM 0 HG CYS B 49 63.553 -15.148 4.277 1.00 0.00 H new ATOM 1490 N THR B 50 66.478 -17.076 2.664 1.00 0.00 N ATOM 1491 CA THR B 50 67.300 -16.179 1.857 1.00 0.00 C ATOM 1492 C THR B 50 66.422 -15.200 1.085 1.00 0.00 C ATOM 1493 O THR B 50 66.328 -15.268 -0.140 1.00 0.00 O ATOM 1494 CB THR B 50 68.141 -16.996 0.873 1.00 0.00 C ATOM 1495 OG1 THR B 50 68.906 -17.955 1.592 1.00 0.00 O ATOM 1496 CG2 THR B 50 69.080 -16.067 0.100 1.00 0.00 C ATOM 0 H THR B 50 65.898 -17.719 2.126 1.00 0.00 H new ATOM 0 HA THR B 50 67.956 -15.616 2.521 1.00 0.00 H new ATOM 0 HB THR B 50 67.483 -17.506 0.170 1.00 0.00 H new ATOM 0 HG1 THR B 50 69.444 -18.481 0.964 1.00 0.00 H new ATOM 0 HG21 THR B 50 69.677 -16.653 -0.599 1.00 0.00 H new ATOM 0 HG22 THR B 50 68.493 -15.332 -0.451 1.00 0.00 H new ATOM 0 HG23 THR B 50 69.740 -15.553 0.799 1.00 0.00 H new ATOM 1504 N ASN B 51 65.783 -14.289 1.811 1.00 0.00 N ATOM 1505 CA ASN B 51 64.919 -13.296 1.185 1.00 0.00 C ATOM 1506 C ASN B 51 64.962 -11.989 1.966 1.00 0.00 C ATOM 1507 O ASN B 51 64.725 -11.968 3.174 1.00 0.00 O ATOM 1508 CB ASN B 51 63.482 -13.816 1.119 1.00 0.00 C ATOM 1509 CG ASN B 51 62.652 -12.936 0.191 1.00 0.00 C ATOM 1510 OD1 ASN B 51 63.148 -12.477 -0.838 1.00 0.00 O ATOM 1511 ND2 ASN B 51 61.412 -12.669 0.497 1.00 0.00 N ATOM 0 H ASN B 51 65.846 -14.218 2.827 1.00 0.00 H new ATOM 0 HA ASN B 51 65.278 -13.112 0.172 1.00 0.00 H new ATOM 0 HB2 ASN B 51 63.475 -14.845 0.760 1.00 0.00 H new ATOM 0 HB3 ASN B 51 63.043 -13.823 2.117 1.00 0.00 H new ATOM 0 HD21 ASN B 51 60.851 -12.079 -0.117 1.00 0.00 H new ATOM 0 HD22 ASN B 51 61.004 -13.051 1.350 1.00 0.00 H new ATOM 1518 N GLU B 52 65.273 -10.903 1.271 1.00 0.00 N ATOM 1519 CA GLU B 52 65.351 -9.595 1.909 1.00 0.00 C ATOM 1520 C GLU B 52 63.991 -9.195 2.468 1.00 0.00 C ATOM 1521 O GLU B 52 63.902 -8.606 3.547 1.00 0.00 O ATOM 1522 CB GLU B 52 65.816 -8.542 0.896 1.00 0.00 C ATOM 1523 CG GLU B 52 67.278 -8.794 0.500 1.00 0.00 C ATOM 1524 CD GLU B 52 67.358 -9.853 -0.598 1.00 0.00 C ATOM 1525 OE1 GLU B 52 66.321 -10.372 -0.976 1.00 0.00 O ATOM 1526 OE2 GLU B 52 68.459 -10.129 -1.046 1.00 0.00 O ATOM 0 H GLU B 52 65.474 -10.901 0.271 1.00 0.00 H new ATOM 0 HA GLU B 52 66.069 -9.653 2.727 1.00 0.00 H new ATOM 0 HB2 GLU B 52 65.181 -8.574 0.010 1.00 0.00 H new ATOM 0 HB3 GLU B 52 65.715 -7.545 1.325 1.00 0.00 H new ATOM 0 HG2 GLU B 52 67.732 -7.866 0.153 1.00 0.00 H new ATOM 0 HG3 GLU B 52 67.846 -9.121 1.371 1.00 0.00 H new ATOM 1533 N PHE B 53 62.932 -9.510 1.731 1.00 0.00 N ATOM 1534 CA PHE B 53 61.588 -9.165 2.172 1.00 0.00 C ATOM 1535 C PHE B 53 60.969 -10.315 2.960 1.00 0.00 C ATOM 1536 O PHE B 53 59.929 -10.851 2.578 1.00 0.00 O ATOM 1537 CB PHE B 53 60.709 -8.852 0.958 1.00 0.00 C ATOM 1538 CG PHE B 53 61.338 -7.739 0.155 1.00 0.00 C ATOM 1539 CD1 PHE B 53 62.066 -8.039 -1.003 1.00 0.00 C ATOM 1540 CD2 PHE B 53 61.198 -6.409 0.570 1.00 0.00 C ATOM 1541 CE1 PHE B 53 62.653 -7.009 -1.747 1.00 0.00 C ATOM 1542 CE2 PHE B 53 61.785 -5.379 -0.177 1.00 0.00 C ATOM 1543 CZ PHE B 53 62.513 -5.679 -1.334 1.00 0.00 C ATOM 0 H PHE B 53 62.977 -9.998 0.836 1.00 0.00 H new ATOM 0 HA PHE B 53 61.651 -8.289 2.817 1.00 0.00 H new ATOM 0 HB2 PHE B 53 60.595 -9.742 0.339 1.00 0.00 H new ATOM 0 HB3 PHE B 53 59.711 -8.560 1.284 1.00 0.00 H new ATOM 0 HD1 PHE B 53 62.175 -9.065 -1.322 1.00 0.00 H new ATOM 0 HD2 PHE B 53 60.639 -6.177 1.464 1.00 0.00 H new ATOM 0 HE1 PHE B 53 63.214 -7.241 -2.640 1.00 0.00 H new ATOM 0 HE2 PHE B 53 61.676 -4.353 0.140 1.00 0.00 H new ATOM 0 HZ PHE B 53 62.967 -4.885 -1.908 1.00 0.00 H new ATOM 1553 N CYS B 54 61.609 -10.688 4.065 1.00 0.00 N ATOM 1554 CA CYS B 54 61.099 -11.770 4.894 1.00 0.00 C ATOM 1555 C CYS B 54 61.739 -11.724 6.275 1.00 0.00 C ATOM 1556 O CYS B 54 62.946 -11.518 6.404 1.00 0.00 O ATOM 1557 CB CYS B 54 61.394 -13.117 4.240 1.00 0.00 C ATOM 1558 SG CYS B 54 60.496 -14.417 5.120 1.00 0.00 S ATOM 0 H CYS B 54 62.472 -10.261 4.402 1.00 0.00 H new ATOM 0 HA CYS B 54 60.021 -11.648 4.996 1.00 0.00 H new ATOM 0 HB2 CYS B 54 61.096 -13.099 3.192 1.00 0.00 H new ATOM 0 HB3 CYS B 54 62.465 -13.319 4.263 1.00 0.00 H new ATOM 0 HG CYS B 54 61.171 -15.527 5.061 1.00 0.00 H new ATOM 1563 N ALA B 55 60.928 -11.923 7.306 1.00 0.00 N ATOM 1564 CA ALA B 55 61.433 -11.906 8.670 1.00 0.00 C ATOM 1565 C ALA B 55 62.219 -13.173 8.961 1.00 0.00 C ATOM 1566 O ALA B 55 62.267 -14.091 8.146 1.00 0.00 O ATOM 1567 CB ALA B 55 60.286 -11.778 9.666 1.00 0.00 C ATOM 0 H ALA B 55 59.926 -12.097 7.224 1.00 0.00 H new ATOM 0 HA ALA B 55 62.092 -11.044 8.775 1.00 0.00 H new ATOM 0 HB1 ALA B 55 60.685 -11.767 10.680 1.00 0.00 H new ATOM 0 HB2 ALA B 55 59.744 -10.851 9.479 1.00 0.00 H new ATOM 0 HB3 ALA B 55 59.608 -12.624 9.551 1.00 0.00 H new ATOM 1573 N SER B 56 62.842 -13.198 10.129 1.00 0.00 N ATOM 1574 CA SER B 56 63.642 -14.338 10.546 1.00 0.00 C ATOM 1575 C SER B 56 64.828 -14.511 9.610 1.00 0.00 C ATOM 1576 O SER B 56 65.431 -15.585 9.554 1.00 0.00 O ATOM 1577 CB SER B 56 62.801 -15.616 10.543 1.00 0.00 C ATOM 1578 OG SER B 56 61.573 -15.371 11.212 1.00 0.00 O ATOM 0 H SER B 56 62.808 -12.437 10.808 1.00 0.00 H new ATOM 0 HA SER B 56 64.000 -14.153 11.559 1.00 0.00 H new ATOM 0 HB2 SER B 56 62.612 -15.939 9.519 1.00 0.00 H new ATOM 0 HB3 SER B 56 63.343 -16.423 11.037 1.00 0.00 H new ATOM 0 HG SER B 56 61.031 -16.187 11.210 1.00 0.00 H new ATOM 1584 N CYS B 57 65.158 -13.454 8.869 1.00 0.00 N ATOM 1585 CA CYS B 57 66.275 -13.523 7.936 1.00 0.00 C ATOM 1586 C CYS B 57 67.528 -12.855 8.520 1.00 0.00 C ATOM 1587 O CYS B 57 67.419 -11.913 9.303 1.00 0.00 O ATOM 1588 CB CYS B 57 65.899 -12.842 6.620 1.00 0.00 C ATOM 1589 SG CYS B 57 64.598 -13.799 5.806 1.00 0.00 S ATOM 0 H CYS B 57 64.676 -12.556 8.897 1.00 0.00 H new ATOM 0 HA CYS B 57 66.498 -14.575 7.755 1.00 0.00 H new ATOM 0 HB2 CYS B 57 65.555 -11.825 6.808 1.00 0.00 H new ATOM 0 HB3 CYS B 57 66.772 -12.768 5.972 1.00 0.00 H new ATOM 0 HG CYS B 57 63.459 -13.187 5.942 1.00 0.00 H new ATOM 1595 N PRO B 58 68.713 -13.300 8.147 1.00 0.00 N ATOM 1596 CA PRO B 58 69.986 -12.692 8.648 1.00 0.00 C ATOM 1597 C PRO B 58 70.022 -11.175 8.462 1.00 0.00 C ATOM 1598 O PRO B 58 70.630 -10.458 9.255 1.00 0.00 O ATOM 1599 CB PRO B 58 71.069 -13.342 7.782 1.00 0.00 C ATOM 1600 CG PRO B 58 70.495 -14.637 7.330 1.00 0.00 C ATOM 1601 CD PRO B 58 68.986 -14.431 7.225 1.00 0.00 C ATOM 0 HA PRO B 58 70.111 -12.861 9.717 1.00 0.00 H new ATOM 0 HB2 PRO B 58 71.324 -12.709 6.933 1.00 0.00 H new ATOM 0 HB3 PRO B 58 71.986 -13.497 8.351 1.00 0.00 H new ATOM 0 HG2 PRO B 58 70.914 -14.932 6.368 1.00 0.00 H new ATOM 0 HG3 PRO B 58 70.729 -15.433 8.037 1.00 0.00 H new ATOM 0 HD2 PRO B 58 68.685 -14.195 6.204 1.00 0.00 H new ATOM 0 HD3 PRO B 58 68.439 -15.327 7.519 1.00 0.00 H new ATOM 1609 N THR B 59 69.383 -10.695 7.397 1.00 0.00 N ATOM 1610 CA THR B 59 69.365 -9.263 7.101 1.00 0.00 C ATOM 1611 C THR B 59 68.133 -8.593 7.706 1.00 0.00 C ATOM 1612 O THR B 59 67.814 -7.449 7.379 1.00 0.00 O ATOM 1613 CB THR B 59 69.377 -9.045 5.585 1.00 0.00 C ATOM 1614 OG1 THR B 59 68.212 -9.625 5.014 1.00 0.00 O ATOM 1615 CG2 THR B 59 70.621 -9.705 4.986 1.00 0.00 C ATOM 0 H THR B 59 68.874 -11.272 6.728 1.00 0.00 H new ATOM 0 HA THR B 59 70.254 -8.813 7.543 1.00 0.00 H new ATOM 0 HB THR B 59 69.393 -7.976 5.371 1.00 0.00 H new ATOM 0 HG1 THR B 59 68.218 -9.484 4.044 1.00 0.00 H new ATOM 0 HG21 THR B 59 70.631 -9.551 3.907 1.00 0.00 H new ATOM 0 HG22 THR B 59 71.515 -9.261 5.424 1.00 0.00 H new ATOM 0 HG23 THR B 59 70.604 -10.774 5.200 1.00 0.00 H new ATOM 1623 N PHE B 60 67.447 -9.310 8.587 1.00 0.00 N ATOM 1624 CA PHE B 60 66.157 -8.834 9.101 1.00 0.00 C ATOM 1625 C PHE B 60 66.403 -8.548 10.577 1.00 0.00 C ATOM 1626 O PHE B 60 66.872 -9.415 11.315 1.00 0.00 O ATOM 1627 CB PHE B 60 65.019 -9.844 8.972 1.00 0.00 C ATOM 1628 CG PHE B 60 63.823 -9.356 9.752 1.00 0.00 C ATOM 1629 CD1 PHE B 60 62.936 -8.439 9.175 1.00 0.00 C ATOM 1630 CD2 PHE B 60 63.604 -9.816 11.057 1.00 0.00 C ATOM 1631 CE1 PHE B 60 61.830 -7.985 9.904 1.00 0.00 C ATOM 1632 CE2 PHE B 60 62.500 -9.362 11.784 1.00 0.00 C ATOM 1633 CZ PHE B 60 61.611 -8.448 11.207 1.00 0.00 C ATOM 0 H PHE B 60 67.751 -10.210 8.959 1.00 0.00 H new ATOM 0 HA PHE B 60 65.837 -7.968 8.521 1.00 0.00 H new ATOM 0 HB2 PHE B 60 64.753 -9.977 7.923 1.00 0.00 H new ATOM 0 HB3 PHE B 60 65.338 -10.817 9.346 1.00 0.00 H new ATOM 0 HD1 PHE B 60 63.105 -8.083 8.170 1.00 0.00 H new ATOM 0 HD2 PHE B 60 64.289 -10.522 11.502 1.00 0.00 H new ATOM 0 HE1 PHE B 60 61.145 -7.277 9.461 1.00 0.00 H new ATOM 0 HE2 PHE B 60 62.333 -9.716 12.790 1.00 0.00 H new ATOM 0 HZ PHE B 60 60.756 -8.100 11.767 1.00 0.00 H new ATOM 1643 N LEU B 61 66.079 -7.330 11.000 1.00 0.00 N ATOM 1644 CA LEU B 61 66.260 -6.939 12.393 1.00 0.00 C ATOM 1645 C LEU B 61 64.907 -6.699 13.052 1.00 0.00 C ATOM 1646 O LEU B 61 64.008 -6.111 12.450 1.00 0.00 O ATOM 1647 CB LEU B 61 67.105 -5.664 12.467 1.00 0.00 C ATOM 1648 CG LEU B 61 68.448 -5.896 11.766 1.00 0.00 C ATOM 1649 CD1 LEU B 61 69.273 -4.609 11.804 1.00 0.00 C ATOM 1650 CD2 LEU B 61 69.221 -7.014 12.473 1.00 0.00 C ATOM 0 H LEU B 61 65.692 -6.600 10.401 1.00 0.00 H new ATOM 0 HA LEU B 61 66.772 -7.743 12.921 1.00 0.00 H new ATOM 0 HB2 LEU B 61 66.575 -4.837 11.995 1.00 0.00 H new ATOM 0 HB3 LEU B 61 67.270 -5.385 13.508 1.00 0.00 H new ATOM 0 HG LEU B 61 68.264 -6.185 10.731 1.00 0.00 H new ATOM 0 HD11 LEU B 61 70.228 -4.774 11.305 1.00 0.00 H new ATOM 0 HD12 LEU B 61 68.730 -3.814 11.294 1.00 0.00 H new ATOM 0 HD13 LEU B 61 69.450 -4.321 12.840 1.00 0.00 H new ATOM 0 HD21 LEU B 61 70.174 -7.173 11.969 1.00 0.00 H new ATOM 0 HD22 LEU B 61 69.402 -6.732 13.510 1.00 0.00 H new ATOM 0 HD23 LEU B 61 68.638 -7.934 12.444 1.00 0.00 H new ATOM 1662 N ARG B 62 64.765 -7.161 14.288 1.00 0.00 N ATOM 1663 CA ARG B 62 63.514 -6.994 15.012 1.00 0.00 C ATOM 1664 C ARG B 62 63.099 -5.527 15.020 1.00 0.00 C ATOM 1665 O ARG B 62 63.885 -4.652 15.385 1.00 0.00 O ATOM 1666 CB ARG B 62 63.680 -7.487 16.452 1.00 0.00 C ATOM 1667 CG ARG B 62 63.285 -8.962 16.546 1.00 0.00 C ATOM 1668 CD ARG B 62 64.185 -9.793 15.632 1.00 0.00 C ATOM 1669 NE ARG B 62 64.031 -11.214 15.925 1.00 0.00 N ATOM 1670 CZ ARG B 62 64.736 -11.797 16.891 1.00 0.00 C ATOM 1671 NH1 ARG B 62 65.585 -11.100 17.595 1.00 0.00 N ATOM 1672 NH2 ARG B 62 64.578 -13.070 17.133 1.00 0.00 N ATOM 0 H ARG B 62 65.495 -7.650 14.806 1.00 0.00 H new ATOM 0 HA ARG B 62 62.740 -7.578 14.514 1.00 0.00 H new ATOM 0 HB2 ARG B 62 64.713 -7.357 16.773 1.00 0.00 H new ATOM 0 HB3 ARG B 62 63.060 -6.892 17.123 1.00 0.00 H new ATOM 0 HG2 ARG B 62 63.376 -9.308 17.575 1.00 0.00 H new ATOM 0 HG3 ARG B 62 62.241 -9.088 16.258 1.00 0.00 H new ATOM 0 HD2 ARG B 62 63.933 -9.600 14.589 1.00 0.00 H new ATOM 0 HD3 ARG B 62 65.225 -9.497 15.768 1.00 0.00 H new ATOM 0 HE ARG B 62 63.372 -11.770 15.380 1.00 0.00 H new ATOM 0 HH11 ARG B 62 65.710 -10.106 17.405 1.00 0.00 H new ATOM 0 HH12 ARG B 62 66.124 -11.550 18.335 1.00 0.00 H new ATOM 0 HH21 ARG B 62 63.915 -13.615 16.582 1.00 0.00 H new ATOM 0 HH22 ARG B 62 65.117 -13.519 17.873 1.00 0.00 H new ATOM 1686 N MET B 63 61.859 -5.271 14.615 1.00 0.00 N ATOM 1687 CA MET B 63 61.335 -3.910 14.570 1.00 0.00 C ATOM 1688 C MET B 63 60.134 -3.765 15.500 1.00 0.00 C ATOM 1689 O MET B 63 59.591 -4.754 15.991 1.00 0.00 O ATOM 1690 CB MET B 63 60.923 -3.553 13.137 1.00 0.00 C ATOM 1691 CG MET B 63 61.898 -2.523 12.559 1.00 0.00 C ATOM 1692 SD MET B 63 63.562 -3.234 12.483 1.00 0.00 S ATOM 1693 CE MET B 63 63.415 -3.994 10.848 1.00 0.00 C ATOM 0 H MET B 63 61.199 -5.987 14.313 1.00 0.00 H new ATOM 0 HA MET B 63 62.119 -3.229 14.901 1.00 0.00 H new ATOM 0 HB2 MET B 63 60.916 -4.449 12.517 1.00 0.00 H new ATOM 0 HB3 MET B 63 59.909 -3.152 13.129 1.00 0.00 H new ATOM 0 HG2 MET B 63 61.575 -2.221 11.563 1.00 0.00 H new ATOM 0 HG3 MET B 63 61.903 -1.626 13.178 1.00 0.00 H new ATOM 0 HE1 MET B 63 64.370 -4.437 10.565 1.00 0.00 H new ATOM 0 HE2 MET B 63 62.649 -4.769 10.875 1.00 0.00 H new ATOM 0 HE3 MET B 63 63.137 -3.234 10.117 1.00 0.00 H new ATOM 1703 N ASP B 64 59.730 -2.521 15.732 1.00 0.00 N ATOM 1704 CA ASP B 64 58.596 -2.234 16.599 1.00 0.00 C ATOM 1705 C ASP B 64 57.292 -2.498 15.853 1.00 0.00 C ATOM 1706 O ASP B 64 57.287 -2.673 14.636 1.00 0.00 O ATOM 1707 CB ASP B 64 58.681 -0.797 17.116 1.00 0.00 C ATOM 1708 CG ASP B 64 59.792 -0.680 18.154 1.00 0.00 C ATOM 1709 OD1 ASP B 64 60.278 -1.708 18.595 1.00 0.00 O ATOM 1710 OD2 ASP B 64 60.141 0.439 18.496 1.00 0.00 O ATOM 0 H ASP B 64 60.173 -1.695 15.330 1.00 0.00 H new ATOM 0 HA ASP B 64 58.620 -2.895 17.466 1.00 0.00 H new ATOM 0 HB2 ASP B 64 58.873 -0.115 16.288 1.00 0.00 H new ATOM 0 HB3 ASP B 64 57.728 -0.504 17.557 1.00 0.00 H new ATOM 1715 N ASN B 65 56.189 -2.487 16.590 1.00 0.00 N ATOM 1716 CA ASN B 65 54.878 -2.686 15.988 1.00 0.00 C ATOM 1717 C ASN B 65 54.552 -1.556 15.020 1.00 0.00 C ATOM 1718 O ASN B 65 54.014 -1.790 13.938 1.00 0.00 O ATOM 1719 CB ASN B 65 53.808 -2.736 17.081 1.00 0.00 C ATOM 1720 CG ASN B 65 53.927 -4.032 17.876 1.00 0.00 C ATOM 1721 OD1 ASN B 65 54.518 -5.003 17.402 1.00 0.00 O ATOM 1722 ND2 ASN B 65 53.398 -4.104 19.066 1.00 0.00 N ATOM 0 H ASN B 65 56.176 -2.343 17.600 1.00 0.00 H new ATOM 0 HA ASN B 65 54.892 -3.628 15.440 1.00 0.00 H new ATOM 0 HB2 ASN B 65 53.918 -1.881 17.747 1.00 0.00 H new ATOM 0 HB3 ASN B 65 52.817 -2.665 16.633 1.00 0.00 H new ATOM 0 HD21 ASN B 65 53.473 -4.966 19.606 1.00 0.00 H new ATOM 0 HD22 ASN B 65 52.909 -3.298 19.456 1.00 0.00 H new ATOM 1729 N ASN B 66 54.888 -0.333 15.408 1.00 0.00 N ATOM 1730 CA ASN B 66 54.628 0.816 14.555 1.00 0.00 C ATOM 1731 C ASN B 66 55.525 0.766 13.324 1.00 0.00 C ATOM 1732 O ASN B 66 55.071 0.975 12.199 1.00 0.00 O ATOM 1733 CB ASN B 66 54.882 2.114 15.329 1.00 0.00 C ATOM 1734 CG ASN B 66 56.122 1.972 16.208 1.00 0.00 C ATOM 1735 OD1 ASN B 66 56.015 1.595 17.374 1.00 0.00 O ATOM 1736 ND2 ASN B 66 57.299 2.249 15.717 1.00 0.00 N ATOM 0 H ASN B 66 55.336 -0.113 16.298 1.00 0.00 H new ATOM 0 HA ASN B 66 53.585 0.789 14.238 1.00 0.00 H new ATOM 0 HB2 ASN B 66 55.015 2.941 14.632 1.00 0.00 H new ATOM 0 HB3 ASN B 66 54.016 2.353 15.946 1.00 0.00 H new ATOM 0 HD21 ASN B 66 58.130 2.153 16.300 1.00 0.00 H new ATOM 0 HD22 ASN B 66 57.388 2.562 14.750 1.00 0.00 H new ATOM 1743 N ALA B 67 56.799 0.467 13.546 1.00 0.00 N ATOM 1744 CA ALA B 67 57.749 0.380 12.446 1.00 0.00 C ATOM 1745 C ALA B 67 57.351 -0.745 11.501 1.00 0.00 C ATOM 1746 O ALA B 67 57.431 -0.606 10.281 1.00 0.00 O ATOM 1747 CB ALA B 67 59.157 0.133 12.986 1.00 0.00 C ATOM 0 H ALA B 67 57.195 0.283 14.468 1.00 0.00 H new ATOM 0 HA ALA B 67 57.741 1.323 11.899 1.00 0.00 H new ATOM 0 HB1 ALA B 67 59.859 0.070 12.155 1.00 0.00 H new ATOM 0 HB2 ALA B 67 59.444 0.955 13.642 1.00 0.00 H new ATOM 0 HB3 ALA B 67 59.173 -0.802 13.547 1.00 0.00 H new ATOM 1753 N ALA B 68 56.915 -1.860 12.076 1.00 0.00 N ATOM 1754 CA ALA B 68 56.497 -3.001 11.280 1.00 0.00 C ATOM 1755 C ALA B 68 55.302 -2.625 10.410 1.00 0.00 C ATOM 1756 O ALA B 68 55.205 -3.043 9.257 1.00 0.00 O ATOM 1757 CB ALA B 68 56.133 -4.165 12.197 1.00 0.00 C ATOM 0 H ALA B 68 56.843 -1.995 13.084 1.00 0.00 H new ATOM 0 HA ALA B 68 57.320 -3.303 10.632 1.00 0.00 H new ATOM 0 HB1 ALA B 68 55.820 -5.018 11.595 1.00 0.00 H new ATOM 0 HB2 ALA B 68 57.001 -4.442 12.796 1.00 0.00 H new ATOM 0 HB3 ALA B 68 55.318 -3.868 12.856 1.00 0.00 H new ATOM 1763 N ALA B 69 54.393 -1.830 10.970 1.00 0.00 N ATOM 1764 CA ALA B 69 53.208 -1.411 10.230 1.00 0.00 C ATOM 1765 C ALA B 69 53.602 -0.640 8.974 1.00 0.00 C ATOM 1766 O ALA B 69 53.015 -0.830 7.910 1.00 0.00 O ATOM 1767 CB ALA B 69 52.331 -0.526 11.115 1.00 0.00 C ATOM 0 H ALA B 69 54.453 -1.468 11.922 1.00 0.00 H new ATOM 0 HA ALA B 69 52.653 -2.302 9.936 1.00 0.00 H new ATOM 0 HB1 ALA B 69 51.447 -0.216 10.557 1.00 0.00 H new ATOM 0 HB2 ALA B 69 52.025 -1.085 11.999 1.00 0.00 H new ATOM 0 HB3 ALA B 69 52.895 0.355 11.421 1.00 0.00 H new ATOM 1773 N ILE B 70 54.596 0.228 9.104 1.00 0.00 N ATOM 1774 CA ILE B 70 55.055 1.021 7.966 1.00 0.00 C ATOM 1775 C ILE B 70 55.669 0.115 6.909 1.00 0.00 C ATOM 1776 O ILE B 70 55.398 0.261 5.717 1.00 0.00 O ATOM 1777 CB ILE B 70 56.097 2.044 8.429 1.00 0.00 C ATOM 1778 CG1 ILE B 70 55.488 2.959 9.502 1.00 0.00 C ATOM 1779 CG2 ILE B 70 56.574 2.885 7.241 1.00 0.00 C ATOM 1780 CD1 ILE B 70 54.207 3.623 8.992 1.00 0.00 C ATOM 0 H ILE B 70 55.097 0.402 9.975 1.00 0.00 H new ATOM 0 HA ILE B 70 54.200 1.544 7.537 1.00 0.00 H new ATOM 0 HB ILE B 70 56.950 1.513 8.852 1.00 0.00 H new ATOM 0 HG12 ILE B 70 55.269 2.379 10.399 1.00 0.00 H new ATOM 0 HG13 ILE B 70 56.211 3.724 9.786 1.00 0.00 H new ATOM 0 HG21 ILE B 70 57.314 3.609 7.582 1.00 0.00 H new ATOM 0 HG22 ILE B 70 57.022 2.234 6.491 1.00 0.00 H new ATOM 0 HG23 ILE B 70 55.726 3.412 6.804 1.00 0.00 H new ATOM 0 HD11 ILE B 70 53.795 4.266 9.770 1.00 0.00 H new ATOM 0 HD12 ILE B 70 54.434 4.222 8.110 1.00 0.00 H new ATOM 0 HD13 ILE B 70 53.478 2.855 8.732 1.00 0.00 H new ATOM 1792 N LYS B 71 56.492 -0.827 7.351 1.00 0.00 N ATOM 1793 CA LYS B 71 57.127 -1.757 6.427 1.00 0.00 C ATOM 1794 C LYS B 71 56.070 -2.591 5.719 1.00 0.00 C ATOM 1795 O LYS B 71 56.161 -2.839 4.518 1.00 0.00 O ATOM 1796 CB LYS B 71 58.086 -2.672 7.187 1.00 0.00 C ATOM 1797 CG LYS B 71 59.337 -1.887 7.586 1.00 0.00 C ATOM 1798 CD LYS B 71 60.371 -1.955 6.459 1.00 0.00 C ATOM 1799 CE LYS B 71 61.245 -3.200 6.639 1.00 0.00 C ATOM 1800 NZ LYS B 71 62.195 -3.310 5.497 1.00 0.00 N ATOM 0 H LYS B 71 56.734 -0.967 8.332 1.00 0.00 H new ATOM 0 HA LYS B 71 57.688 -1.190 5.684 1.00 0.00 H new ATOM 0 HB2 LYS B 71 57.596 -3.071 8.075 1.00 0.00 H new ATOM 0 HB3 LYS B 71 58.362 -3.524 6.565 1.00 0.00 H new ATOM 0 HG2 LYS B 71 59.076 -0.849 7.791 1.00 0.00 H new ATOM 0 HG3 LYS B 71 59.758 -2.297 8.504 1.00 0.00 H new ATOM 0 HD2 LYS B 71 59.869 -1.987 5.492 1.00 0.00 H new ATOM 0 HD3 LYS B 71 60.991 -1.059 6.466 1.00 0.00 H new ATOM 0 HE2 LYS B 71 61.795 -3.139 7.578 1.00 0.00 H new ATOM 0 HE3 LYS B 71 60.620 -4.091 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 62.788 -4.155 5.619 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 61.661 -3.387 4.608 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 62.800 -2.464 5.466 1.00 0.00 H new ATOM 1814 N ALA B 72 55.060 -3.013 6.472 1.00 0.00 N ATOM 1815 CA ALA B 72 53.986 -3.809 5.900 1.00 0.00 C ATOM 1816 C ALA B 72 53.249 -3.013 4.832 1.00 0.00 C ATOM 1817 O ALA B 72 52.905 -3.547 3.778 1.00 0.00 O ATOM 1818 CB ALA B 72 53.001 -4.226 6.990 1.00 0.00 C ATOM 0 H ALA B 72 54.964 -2.819 7.469 1.00 0.00 H new ATOM 0 HA ALA B 72 54.422 -4.699 5.447 1.00 0.00 H new ATOM 0 HB1 ALA B 72 52.201 -4.821 6.549 1.00 0.00 H new ATOM 0 HB2 ALA B 72 53.521 -4.818 7.743 1.00 0.00 H new ATOM 0 HB3 ALA B 72 52.577 -3.337 7.456 1.00 0.00 H new ATOM 1824 N LEU B 73 53.006 -1.731 5.102 1.00 0.00 N ATOM 1825 CA LEU B 73 52.304 -0.897 4.134 1.00 0.00 C ATOM 1826 C LEU B 73 53.122 -0.774 2.853 1.00 0.00 C ATOM 1827 O LEU B 73 52.582 -0.862 1.749 1.00 0.00 O ATOM 1828 CB LEU B 73 52.048 0.491 4.729 1.00 0.00 C ATOM 1829 CG LEU B 73 51.287 1.370 3.727 1.00 0.00 C ATOM 1830 CD1 LEU B 73 49.928 0.741 3.406 1.00 0.00 C ATOM 1831 CD2 LEU B 73 51.070 2.755 4.340 1.00 0.00 C ATOM 0 H LEU B 73 53.279 -1.258 5.963 1.00 0.00 H new ATOM 0 HA LEU B 73 51.348 -1.363 3.895 1.00 0.00 H new ATOM 0 HB2 LEU B 73 51.474 0.398 5.651 1.00 0.00 H new ATOM 0 HB3 LEU B 73 52.996 0.962 4.990 1.00 0.00 H new ATOM 0 HG LEU B 73 51.868 1.455 2.808 1.00 0.00 H new ATOM 0 HD11 LEU B 73 49.394 1.371 2.694 1.00 0.00 H new ATOM 0 HD12 LEU B 73 50.078 -0.248 2.974 1.00 0.00 H new ATOM 0 HD13 LEU B 73 49.343 0.652 4.321 1.00 0.00 H new ATOM 0 HD21 LEU B 73 50.530 3.385 3.633 1.00 0.00 H new ATOM 0 HD22 LEU B 73 50.490 2.660 5.258 1.00 0.00 H new ATOM 0 HD23 LEU B 73 52.035 3.208 4.566 1.00 0.00 H new ATOM 1843 N GLU B 74 54.425 -0.563 3.010 1.00 0.00 N ATOM 1844 CA GLU B 74 55.311 -0.423 1.859 1.00 0.00 C ATOM 1845 C GLU B 74 55.332 -1.713 1.045 1.00 0.00 C ATOM 1846 O GLU B 74 55.347 -1.687 -0.179 1.00 0.00 O ATOM 1847 CB GLU B 74 56.727 -0.081 2.329 1.00 0.00 C ATOM 1848 CG GLU B 74 56.734 1.313 2.963 1.00 0.00 C ATOM 1849 CD GLU B 74 56.494 2.377 1.897 1.00 0.00 C ATOM 1850 OE1 GLU B 74 56.629 2.059 0.728 1.00 0.00 O ATOM 1851 OE2 GLU B 74 56.179 3.497 2.267 1.00 0.00 O ATOM 0 H GLU B 74 54.888 -0.486 3.915 1.00 0.00 H new ATOM 0 HA GLU B 74 54.938 0.384 1.228 1.00 0.00 H new ATOM 0 HB2 GLU B 74 57.070 -0.822 3.051 1.00 0.00 H new ATOM 0 HB3 GLU B 74 57.418 -0.112 1.487 1.00 0.00 H new ATOM 0 HG2 GLU B 74 55.962 1.376 3.730 1.00 0.00 H new ATOM 0 HG3 GLU B 74 57.689 1.491 3.457 1.00 0.00 H new ATOM 1858 N LEU B 75 55.331 -2.841 1.735 1.00 0.00 N ATOM 1859 CA LEU B 75 55.341 -4.133 1.062 1.00 0.00 C ATOM 1860 C LEU B 75 54.057 -4.317 0.256 1.00 0.00 C ATOM 1861 O LEU B 75 54.062 -4.897 -0.826 1.00 0.00 O ATOM 1862 CB LEU B 75 55.477 -5.249 2.099 1.00 0.00 C ATOM 1863 CG LEU B 75 56.893 -5.236 2.688 1.00 0.00 C ATOM 1864 CD1 LEU B 75 56.871 -5.910 4.059 1.00 0.00 C ATOM 1865 CD2 LEU B 75 57.856 -6.021 1.786 1.00 0.00 C ATOM 0 H LEU B 75 55.323 -2.891 2.754 1.00 0.00 H new ATOM 0 HA LEU B 75 56.189 -4.174 0.378 1.00 0.00 H new ATOM 0 HB2 LEU B 75 54.741 -5.114 2.892 1.00 0.00 H new ATOM 0 HB3 LEU B 75 55.274 -6.215 1.637 1.00 0.00 H new ATOM 0 HG LEU B 75 57.227 -4.202 2.768 1.00 0.00 H new ATOM 0 HD11 LEU B 75 57.875 -5.904 4.483 1.00 0.00 H new ATOM 0 HD12 LEU B 75 56.194 -5.368 4.720 1.00 0.00 H new ATOM 0 HD13 LEU B 75 56.528 -6.939 3.953 1.00 0.00 H new ATOM 0 HD21 LEU B 75 58.856 -6.002 2.218 1.00 0.00 H new ATOM 0 HD22 LEU B 75 57.516 -7.053 1.703 1.00 0.00 H new ATOM 0 HD23 LEU B 75 57.880 -5.566 0.796 1.00 0.00 H new ATOM 1877 N TYR B 76 52.951 -3.828 0.791 1.00 0.00 N ATOM 1878 CA TYR B 76 51.679 -3.956 0.102 1.00 0.00 C ATOM 1879 C TYR B 76 51.730 -3.260 -1.255 1.00 0.00 C ATOM 1880 O TYR B 76 51.344 -3.833 -2.274 1.00 0.00 O ATOM 1881 CB TYR B 76 50.565 -3.346 0.953 1.00 0.00 C ATOM 1882 CG TYR B 76 49.267 -3.392 0.187 1.00 0.00 C ATOM 1883 CD1 TYR B 76 48.556 -4.593 0.087 1.00 0.00 C ATOM 1884 CD2 TYR B 76 48.776 -2.233 -0.424 1.00 0.00 C ATOM 1885 CE1 TYR B 76 47.351 -4.635 -0.625 1.00 0.00 C ATOM 1886 CE2 TYR B 76 47.572 -2.275 -1.136 1.00 0.00 C ATOM 1887 CZ TYR B 76 46.859 -3.477 -1.236 1.00 0.00 C ATOM 1888 OH TYR B 76 45.673 -3.519 -1.940 1.00 0.00 O ATOM 0 H TYR B 76 52.907 -3.345 1.688 1.00 0.00 H new ATOM 0 HA TYR B 76 51.476 -5.015 -0.057 1.00 0.00 H new ATOM 0 HB2 TYR B 76 50.467 -3.894 1.890 1.00 0.00 H new ATOM 0 HB3 TYR B 76 50.812 -2.316 1.211 1.00 0.00 H new ATOM 0 HD1 TYR B 76 48.936 -5.487 0.559 1.00 0.00 H new ATOM 0 HD2 TYR B 76 49.326 -1.307 -0.346 1.00 0.00 H new ATOM 0 HE1 TYR B 76 46.802 -5.562 -0.702 1.00 0.00 H new ATOM 0 HE2 TYR B 76 47.192 -1.381 -1.608 1.00 0.00 H new ATOM 0 HH TYR B 76 45.432 -4.452 -2.120 1.00 0.00 H new ATOM 1898 N LYS B 77 52.206 -2.019 -1.266 1.00 0.00 N ATOM 1899 CA LYS B 77 52.284 -1.257 -2.509 1.00 0.00 C ATOM 1900 C LYS B 77 53.346 -1.845 -3.437 1.00 0.00 C ATOM 1901 O LYS B 77 53.224 -1.767 -4.661 1.00 0.00 O ATOM 1902 CB LYS B 77 52.615 0.211 -2.195 1.00 0.00 C ATOM 1903 CG LYS B 77 54.118 0.474 -2.357 1.00 0.00 C ATOM 1904 CD LYS B 77 54.470 1.842 -1.780 1.00 0.00 C ATOM 1905 CE LYS B 77 55.961 2.103 -1.994 1.00 0.00 C ATOM 1906 NZ LYS B 77 56.324 3.430 -1.422 1.00 0.00 N ATOM 0 H LYS B 77 52.540 -1.524 -0.439 1.00 0.00 H new ATOM 0 HA LYS B 77 51.319 -1.311 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS B 77 52.052 0.866 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS B 77 52.307 0.449 -1.177 1.00 0.00 H new ATOM 0 HG2 LYS B 77 54.689 -0.303 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS B 77 54.392 0.433 -3.411 1.00 0.00 H new ATOM 0 HD2 LYS B 77 53.878 2.619 -2.265 1.00 0.00 H new ATOM 0 HD3 LYS B 77 54.231 1.875 -0.717 1.00 0.00 H new ATOM 0 HE2 LYS B 77 56.550 1.318 -1.519 1.00 0.00 H new ATOM 0 HE3 LYS B 77 56.196 2.078 -3.058 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 57.081 3.859 -1.992 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 55.490 4.051 -1.430 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 56.655 3.308 -0.444 1.00 0.00 H new ATOM 1920 N ILE B 78 54.394 -2.415 -2.848 1.00 0.00 N ATOM 1921 CA ILE B 78 55.481 -2.992 -3.633 1.00 0.00 C ATOM 1922 C ILE B 78 55.107 -4.385 -4.115 1.00 0.00 C ATOM 1923 O ILE B 78 55.807 -4.981 -4.932 1.00 0.00 O ATOM 1924 CB ILE B 78 56.772 -3.038 -2.795 1.00 0.00 C ATOM 1925 CG1 ILE B 78 57.964 -2.703 -3.683 1.00 0.00 C ATOM 1926 CG2 ILE B 78 56.996 -4.431 -2.209 1.00 0.00 C ATOM 1927 CD1 ILE B 78 59.253 -2.795 -2.864 1.00 0.00 C ATOM 0 H ILE B 78 54.513 -2.489 -1.838 1.00 0.00 H new ATOM 0 HA ILE B 78 55.655 -2.363 -4.506 1.00 0.00 H new ATOM 0 HB ILE B 78 56.673 -2.316 -1.984 1.00 0.00 H new ATOM 0 HG12 ILE B 78 58.007 -3.391 -4.527 1.00 0.00 H new ATOM 0 HG13 ILE B 78 57.853 -1.700 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE B 78 57.914 -4.435 -1.622 1.00 0.00 H new ATOM 0 HG22 ILE B 78 56.155 -4.696 -1.569 1.00 0.00 H new ATOM 0 HG23 ILE B 78 57.079 -5.157 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE B 78 60.106 -2.555 -3.499 1.00 0.00 H new ATOM 0 HD12 ILE B 78 59.208 -2.089 -2.035 1.00 0.00 H new ATOM 0 HD13 ILE B 78 59.365 -3.807 -2.473 1.00 0.00 H new ATOM 1939 N ASN B 79 53.998 -4.900 -3.600 1.00 0.00 N ATOM 1940 CA ASN B 79 53.541 -6.225 -3.978 1.00 0.00 C ATOM 1941 C ASN B 79 54.640 -7.252 -3.736 1.00 0.00 C ATOM 1942 O ASN B 79 54.825 -8.175 -4.529 1.00 0.00 O ATOM 1943 CB ASN B 79 53.134 -6.239 -5.454 1.00 0.00 C ATOM 1944 CG ASN B 79 52.001 -5.246 -5.691 1.00 0.00 C ATOM 1945 OD1 ASN B 79 51.052 -5.187 -4.909 1.00 0.00 O ATOM 1946 ND2 ASN B 79 52.043 -4.456 -6.729 1.00 0.00 N ATOM 0 H ASN B 79 53.403 -4.421 -2.923 1.00 0.00 H new ATOM 0 HA ASN B 79 52.676 -6.483 -3.366 1.00 0.00 H new ATOM 0 HB2 ASN B 79 53.990 -5.983 -6.078 1.00 0.00 H new ATOM 0 HB3 ASN B 79 52.817 -7.241 -5.743 1.00 0.00 H new ATOM 0 HD21 ASN B 79 51.289 -3.789 -6.893 1.00 0.00 H new ATOM 0 HD22 ASN B 79 52.830 -4.506 -7.376 1.00 0.00 H new ATOM 1953 N ALA B 80 55.365 -7.085 -2.632 1.00 0.00 N ATOM 1954 CA ALA B 80 56.441 -8.007 -2.295 1.00 0.00 C ATOM 1955 C ALA B 80 55.914 -9.436 -2.263 1.00 0.00 C ATOM 1956 O ALA B 80 54.805 -9.691 -1.795 1.00 0.00 O ATOM 1957 CB ALA B 80 57.024 -7.654 -0.924 1.00 0.00 C ATOM 0 H ALA B 80 55.227 -6.327 -1.963 1.00 0.00 H new ATOM 0 HA ALA B 80 57.220 -7.925 -3.053 1.00 0.00 H new ATOM 0 HB1 ALA B 80 57.828 -8.349 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA B 80 57.417 -6.638 -0.947 1.00 0.00 H new ATOM 0 HB3 ALA B 80 56.243 -7.724 -0.167 1.00 0.00 H new ATOM 1963 N LYS B 81 56.717 -10.358 -2.775 1.00 0.00 N ATOM 1964 CA LYS B 81 56.332 -11.763 -2.817 1.00 0.00 C ATOM 1965 C LYS B 81 56.342 -12.368 -1.418 1.00 0.00 C ATOM 1966 O LYS B 81 57.200 -12.048 -0.596 1.00 0.00 O ATOM 1967 CB LYS B 81 57.303 -12.537 -3.708 1.00 0.00 C ATOM 1968 CG LYS B 81 57.214 -12.002 -5.140 1.00 0.00 C ATOM 1969 CD LYS B 81 58.358 -12.569 -5.994 1.00 0.00 C ATOM 1970 CE LYS B 81 58.153 -14.067 -6.244 1.00 0.00 C ATOM 1971 NZ LYS B 81 59.159 -14.545 -7.238 1.00 0.00 N ATOM 0 H LYS B 81 57.638 -10.160 -3.167 1.00 0.00 H new ATOM 0 HA LYS B 81 55.322 -11.831 -3.222 1.00 0.00 H new ATOM 0 HB2 LYS B 81 58.321 -12.434 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS B 81 57.063 -13.600 -3.689 1.00 0.00 H new ATOM 0 HG2 LYS B 81 56.254 -12.275 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS B 81 57.262 -10.913 -5.132 1.00 0.00 H new ATOM 0 HD2 LYS B 81 58.406 -12.039 -6.945 1.00 0.00 H new ATOM 0 HD3 LYS B 81 59.311 -12.406 -5.490 1.00 0.00 H new ATOM 0 HE2 LYS B 81 58.256 -14.620 -5.311 1.00 0.00 H new ATOM 0 HE3 LYS B 81 57.144 -14.251 -6.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 59.022 -15.562 -7.409 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 59.040 -14.024 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 60.117 -14.383 -6.868 1.00 0.00 H new ATOM 1985 N LEU B 82 55.386 -13.252 -1.163 1.00 0.00 N ATOM 1986 CA LEU B 82 55.288 -13.912 0.134 1.00 0.00 C ATOM 1987 C LEU B 82 56.280 -15.061 0.232 1.00 0.00 C ATOM 1988 O LEU B 82 56.697 -15.626 -0.781 1.00 0.00 O ATOM 1989 CB LEU B 82 53.870 -14.438 0.358 1.00 0.00 C ATOM 1990 CG LEU B 82 52.914 -13.260 0.555 1.00 0.00 C ATOM 1991 CD1 LEU B 82 51.471 -13.763 0.540 1.00 0.00 C ATOM 1992 CD2 LEU B 82 53.192 -12.561 1.894 1.00 0.00 C ATOM 0 H LEU B 82 54.669 -13.528 -1.834 1.00 0.00 H new ATOM 0 HA LEU B 82 55.524 -13.178 0.904 1.00 0.00 H new ATOM 0 HB2 LEU B 82 53.554 -15.038 -0.496 1.00 0.00 H new ATOM 0 HB3 LEU B 82 53.846 -15.090 1.232 1.00 0.00 H new ATOM 0 HG LEU B 82 53.067 -12.548 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU B 82 50.791 -12.923 0.680 1.00 0.00 H new ATOM 0 HD12 LEU B 82 51.263 -14.242 -0.417 1.00 0.00 H new ATOM 0 HD13 LEU B 82 51.328 -14.483 1.345 1.00 0.00 H new ATOM 0 HD21 LEU B 82 52.503 -11.725 2.018 1.00 0.00 H new ATOM 0 HD22 LEU B 82 53.053 -13.270 2.710 1.00 0.00 H new ATOM 0 HD23 LEU B 82 54.217 -12.191 1.905 1.00 0.00 H new