USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 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: A 349 ASN : amide:sc= -0.491 X(o=-2,f=-2) USER MOD Set 1.2: B 66 ASN : amide:sc= -1.53 K(o=-2,f=-6.1!) USER MOD Set 2.1: B 57 CYS SG : rot -179:sc= -3.37 USER MOD Set 2.2: B 59 THR OG1 : rot 33:sc= -0.0519! USER MOD Set 3.1: B 44 CYS SG : rot -125:sc= -0.0332 USER MOD Set 3.2: B 49 CYS SG : rot 146:sc= -0.0957 USER MOD Set 3.3: B 54 CYS SG : rot -65:sc= 0.326 USER MOD Set 4.1: B 37 TYR OH : rot -67:sc= -2.08! USER MOD Set 4.2: B 65 ASN : amide:sc= -2.64! C(o=-4.7!,f=-8.1!) USER MOD Set 5.1: A 341 ASN : amide:sc= -1.68 K(o=-2,f=-0.92!) USER MOD Set 5.2: B 30 LYS NZ :NH3+ 180:sc= -0.29 (180deg=0) USER MOD Single : A 329 MET CE :methyl 149:sc= -0.136 (180deg=-1.77!) USER MOD Single : A 330 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 336 GLN : amide:sc= -0.29 K(o=-0.29,f=-0.96) USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 348 ASN : amide:sc= -0.0303 K(o=-0.03,f=-1.9!) USER MOD Single : A 354 ASN : amide:sc= -0.0294 K(o=-0.029,f=-1.1) USER MOD Single : A 356 MET CE :methyl -167:sc= -0.0929 (180deg=-0.204) USER MOD Single : A 358 SER OG : rot -30:sc= 1.01 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 HIS : no HD1:sc= -0.787 K(o=-0.79,f=0.069) USER MOD Single : B 36 TYR OH : rot 165:sc= 1.23 USER MOD Single : B 38 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.099) USER MOD Single : B 39 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.97) USER MOD Single : B 41 THR OG1 : rot -85:sc= -0.0169 USER MOD Single : B 46 ASN : amide:sc= -0.0343 K(o=-0.034,f=-1.1) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -3.64! C(o=-3.6!,f=-11!) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 63 MET CE :methyl 156:sc= -0.507 (180deg=-1.37!) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 TYR OH : rot 30:sc= -0.0292 USER MOD Single : B 77 LYS NZ :NH3+ -154:sc= -0.214 (180deg=-1.14) USER MOD Single : B 79 ASN : amide:sc= -0.26 K(o=-0.26,f=-1.5!) USER MOD Single : B 81 LYS NZ :NH3+ -162:sc= -0.0567 (180deg=-0.475) USER MOD ----------------------------------------------------------------- ATOM 299 N ASP A 327 42.173 2.098 -6.826 1.00 0.00 N ATOM 300 CA ASP A 327 43.452 2.231 -6.137 1.00 0.00 C ATOM 301 C ASP A 327 43.231 2.407 -4.637 1.00 0.00 C ATOM 302 O ASP A 327 42.520 3.312 -4.205 1.00 0.00 O ATOM 303 CB ASP A 327 44.223 3.427 -6.699 1.00 0.00 C ATOM 304 CG ASP A 327 44.743 3.104 -8.097 1.00 0.00 C ATOM 305 OD1 ASP A 327 44.728 1.940 -8.461 1.00 0.00 O ATOM 306 OD2 ASP A 327 45.144 4.028 -8.786 1.00 0.00 O ATOM 0 HA ASP A 327 44.035 1.324 -6.298 1.00 0.00 H new ATOM 0 HB2 ASP A 327 43.575 4.303 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 327 45.056 3.675 -6.041 1.00 0.00 H new ATOM 311 N VAL A 328 43.850 1.539 -3.848 1.00 0.00 N ATOM 312 CA VAL A 328 43.718 1.603 -2.397 1.00 0.00 C ATOM 313 C VAL A 328 44.272 2.929 -1.874 1.00 0.00 C ATOM 314 O VAL A 328 43.716 3.524 -0.952 1.00 0.00 O ATOM 315 CB VAL A 328 44.460 0.432 -1.751 1.00 0.00 C ATOM 316 CG1 VAL A 328 44.481 0.605 -0.231 1.00 0.00 C ATOM 317 CG2 VAL A 328 43.746 -0.875 -2.097 1.00 0.00 C ATOM 0 H VAL A 328 44.447 0.784 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 328 42.661 1.538 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 328 45.483 0.406 -2.127 1.00 0.00 H new ATOM 0 HG11 VAL A 328 45.011 -0.232 0.223 1.00 0.00 H new ATOM 0 HG12 VAL A 328 44.988 1.536 0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 328 43.459 0.635 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 328 44.274 -1.711 -1.637 1.00 0.00 H new ATOM 0 HG22 VAL A 328 42.723 -0.841 -1.722 1.00 0.00 H new ATOM 0 HG23 VAL A 328 43.731 -1.006 -3.179 1.00 0.00 H new ATOM 327 N MET A 329 45.374 3.374 -2.469 1.00 0.00 N ATOM 328 CA MET A 329 46.008 4.624 -2.060 1.00 0.00 C ATOM 329 C MET A 329 45.089 5.811 -2.337 1.00 0.00 C ATOM 330 O MET A 329 45.362 6.932 -1.909 1.00 0.00 O ATOM 331 CB MET A 329 47.329 4.812 -2.816 1.00 0.00 C ATOM 332 CG MET A 329 48.307 3.699 -2.432 1.00 0.00 C ATOM 333 SD MET A 329 48.766 3.863 -0.687 1.00 0.00 S ATOM 334 CE MET A 329 49.656 2.294 -0.536 1.00 0.00 C ATOM 0 H MET A 329 45.846 2.890 -3.233 1.00 0.00 H new ATOM 0 HA MET A 329 46.204 4.575 -0.989 1.00 0.00 H new ATOM 0 HB2 MET A 329 47.149 4.796 -3.891 1.00 0.00 H new ATOM 0 HB3 MET A 329 47.759 5.785 -2.579 1.00 0.00 H new ATOM 0 HG2 MET A 329 47.851 2.725 -2.608 1.00 0.00 H new ATOM 0 HG3 MET A 329 49.197 3.752 -3.059 1.00 0.00 H new ATOM 0 HE1 MET A 329 50.454 2.398 0.199 1.00 0.00 H new ATOM 0 HE2 MET A 329 48.966 1.514 -0.215 1.00 0.00 H new ATOM 0 HE3 MET A 329 50.085 2.025 -1.501 1.00 0.00 H new ATOM 344 N GLN A 330 43.996 5.556 -3.049 1.00 0.00 N ATOM 345 CA GLN A 330 43.041 6.609 -3.370 1.00 0.00 C ATOM 346 C GLN A 330 42.341 7.091 -2.103 1.00 0.00 C ATOM 347 O GLN A 330 42.020 8.273 -1.973 1.00 0.00 O ATOM 348 CB GLN A 330 42.001 6.086 -4.362 1.00 0.00 C ATOM 349 CG GLN A 330 41.125 7.244 -4.840 1.00 0.00 C ATOM 350 CD GLN A 330 40.163 6.759 -5.916 1.00 0.00 C ATOM 351 OE1 GLN A 330 40.252 5.612 -6.357 1.00 0.00 O ATOM 352 NE2 GLN A 330 39.242 7.565 -6.367 1.00 0.00 N ATOM 0 H GLN A 330 43.751 4.635 -3.412 1.00 0.00 H new ATOM 0 HA GLN A 330 43.580 7.444 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 330 42.497 5.616 -5.211 1.00 0.00 H new ATOM 0 HB3 GLN A 330 41.385 5.321 -3.890 1.00 0.00 H new ATOM 0 HG2 GLN A 330 40.566 7.659 -4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 330 41.750 8.045 -5.234 1.00 0.00 H new ATOM 0 HE21 GLN A 330 39.171 8.514 -6.000 1.00 0.00 H new ATOM 0 HE22 GLN A 330 38.593 7.246 -7.087 1.00 0.00 H new ATOM 361 N ASP A 331 42.111 6.167 -1.174 1.00 0.00 N ATOM 362 CA ASP A 331 41.447 6.500 0.083 1.00 0.00 C ATOM 363 C ASP A 331 42.366 6.200 1.269 1.00 0.00 C ATOM 364 O ASP A 331 42.299 5.117 1.855 1.00 0.00 O ATOM 365 CB ASP A 331 40.160 5.685 0.219 1.00 0.00 C ATOM 366 CG ASP A 331 39.212 6.021 -0.927 1.00 0.00 C ATOM 367 OD1 ASP A 331 39.458 7.006 -1.603 1.00 0.00 O ATOM 368 OD2 ASP A 331 38.253 5.291 -1.110 1.00 0.00 O ATOM 0 H ASP A 331 42.373 5.186 -1.267 1.00 0.00 H new ATOM 0 HA ASP A 331 41.209 7.564 0.080 1.00 0.00 H new ATOM 0 HB2 ASP A 331 40.391 4.620 0.212 1.00 0.00 H new ATOM 0 HB3 ASP A 331 39.681 5.901 1.174 1.00 0.00 H new ATOM 373 N PRO A 332 43.217 7.134 1.632 1.00 0.00 N ATOM 374 CA PRO A 332 44.169 6.970 2.774 1.00 0.00 C ATOM 375 C PRO A 332 43.454 6.591 4.068 1.00 0.00 C ATOM 376 O PRO A 332 44.038 5.965 4.951 1.00 0.00 O ATOM 377 CB PRO A 332 44.823 8.349 2.905 1.00 0.00 C ATOM 378 CG PRO A 332 44.695 8.965 1.555 1.00 0.00 C ATOM 379 CD PRO A 332 43.374 8.452 0.988 1.00 0.00 C ATOM 0 HA PRO A 332 44.884 6.167 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 332 44.324 8.952 3.663 1.00 0.00 H new ATOM 0 HB3 PRO A 332 45.868 8.264 3.203 1.00 0.00 H new ATOM 0 HG2 PRO A 332 44.697 10.053 1.620 1.00 0.00 H new ATOM 0 HG3 PRO A 332 45.531 8.683 0.915 1.00 0.00 H new ATOM 0 HD2 PRO A 332 42.546 9.119 1.230 1.00 0.00 H new ATOM 0 HD3 PRO A 332 43.408 8.367 -0.098 1.00 0.00 H new ATOM 387 N GLU A 333 42.187 6.975 4.172 1.00 0.00 N ATOM 388 CA GLU A 333 41.406 6.670 5.364 1.00 0.00 C ATOM 389 C GLU A 333 41.305 5.160 5.561 1.00 0.00 C ATOM 390 O GLU A 333 41.388 4.667 6.686 1.00 0.00 O ATOM 391 CB GLU A 333 39.999 7.259 5.229 1.00 0.00 C ATOM 392 CG GLU A 333 40.066 8.785 5.332 1.00 0.00 C ATOM 393 CD GLU A 333 38.711 9.391 4.984 1.00 0.00 C ATOM 394 OE1 GLU A 333 37.888 8.678 4.434 1.00 0.00 O ATOM 395 OE2 GLU A 333 38.515 10.561 5.272 1.00 0.00 O ATOM 0 H GLU A 333 41.683 7.493 3.453 1.00 0.00 H new ATOM 0 HA GLU A 333 41.905 7.110 6.228 1.00 0.00 H new ATOM 0 HB2 GLU A 333 39.563 6.968 4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 333 39.351 6.860 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 333 40.356 9.077 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 333 40.830 9.170 4.657 1.00 0.00 H new ATOM 402 N PHE A 334 41.128 4.433 4.464 1.00 0.00 N ATOM 403 CA PHE A 334 41.018 2.979 4.532 1.00 0.00 C ATOM 404 C PHE A 334 42.307 2.378 5.088 1.00 0.00 C ATOM 405 O PHE A 334 42.278 1.526 5.978 1.00 0.00 O ATOM 406 CB PHE A 334 40.735 2.406 3.141 1.00 0.00 C ATOM 407 CG PHE A 334 40.539 0.912 3.243 1.00 0.00 C ATOM 408 CD1 PHE A 334 39.324 0.406 3.722 1.00 0.00 C ATOM 409 CD2 PHE A 334 41.560 0.031 2.861 1.00 0.00 C ATOM 410 CE1 PHE A 334 39.129 -0.976 3.819 1.00 0.00 C ATOM 411 CE2 PHE A 334 41.364 -1.351 2.961 1.00 0.00 C ATOM 412 CZ PHE A 334 40.148 -1.854 3.439 1.00 0.00 C ATOM 0 H PHE A 334 41.058 4.822 3.524 1.00 0.00 H new ATOM 0 HA PHE A 334 40.193 2.723 5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 334 39.845 2.872 2.718 1.00 0.00 H new ATOM 0 HB3 PHE A 334 41.563 2.630 2.468 1.00 0.00 H new ATOM 0 HD1 PHE A 334 38.536 1.084 4.017 1.00 0.00 H new ATOM 0 HD2 PHE A 334 42.497 0.418 2.490 1.00 0.00 H new ATOM 0 HE1 PHE A 334 38.191 -1.364 4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 334 42.151 -2.030 2.669 1.00 0.00 H new ATOM 0 HZ PHE A 334 39.997 -2.921 3.514 1.00 0.00 H new ATOM 422 N LEU A 335 43.436 2.831 4.555 1.00 0.00 N ATOM 423 CA LEU A 335 44.737 2.341 4.996 1.00 0.00 C ATOM 424 C LEU A 335 44.973 2.682 6.464 1.00 0.00 C ATOM 425 O LEU A 335 45.524 1.879 7.217 1.00 0.00 O ATOM 426 CB LEU A 335 45.840 2.964 4.140 1.00 0.00 C ATOM 427 CG LEU A 335 45.782 2.392 2.718 1.00 0.00 C ATOM 428 CD1 LEU A 335 46.754 3.159 1.822 1.00 0.00 C ATOM 429 CD2 LEU A 335 46.169 0.907 2.727 1.00 0.00 C ATOM 0 H LEU A 335 43.477 3.535 3.818 1.00 0.00 H new ATOM 0 HA LEU A 335 44.755 1.257 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 335 45.722 4.047 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 335 46.815 2.761 4.583 1.00 0.00 H new ATOM 0 HG LEU A 335 44.766 2.494 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 335 46.714 2.754 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 335 46.476 4.213 1.802 1.00 0.00 H new ATOM 0 HD13 LEU A 335 47.766 3.058 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 335 46.124 0.513 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 335 47.182 0.797 3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 335 45.476 0.354 3.362 1.00 0.00 H new ATOM 441 N GLN A 336 44.557 3.879 6.866 1.00 0.00 N ATOM 442 CA GLN A 336 44.734 4.311 8.247 1.00 0.00 C ATOM 443 C GLN A 336 43.977 3.382 9.191 1.00 0.00 C ATOM 444 O GLN A 336 44.477 3.019 10.254 1.00 0.00 O ATOM 445 CB GLN A 336 44.218 5.744 8.411 1.00 0.00 C ATOM 446 CG GLN A 336 44.557 6.270 9.810 1.00 0.00 C ATOM 447 CD GLN A 336 46.069 6.356 9.996 1.00 0.00 C ATOM 448 OE1 GLN A 336 46.761 6.971 9.184 1.00 0.00 O ATOM 449 NE2 GLN A 336 46.625 5.779 11.027 1.00 0.00 N ATOM 0 H GLN A 336 44.099 4.561 6.261 1.00 0.00 H new ATOM 0 HA GLN A 336 45.795 4.277 8.493 1.00 0.00 H new ATOM 0 HB2 GLN A 336 44.665 6.388 7.654 1.00 0.00 H new ATOM 0 HB3 GLN A 336 43.139 5.770 8.256 1.00 0.00 H new ATOM 0 HG2 GLN A 336 44.110 7.254 9.953 1.00 0.00 H new ATOM 0 HG3 GLN A 336 44.128 5.612 10.566 1.00 0.00 H new ATOM 0 HE21 GLN A 336 46.050 5.270 11.698 1.00 0.00 H new ATOM 0 HE22 GLN A 336 47.634 5.837 11.161 1.00 0.00 H new ATOM 458 N SER A 337 42.770 2.998 8.792 1.00 0.00 N ATOM 459 CA SER A 337 41.954 2.107 9.607 1.00 0.00 C ATOM 460 C SER A 337 42.659 0.767 9.801 1.00 0.00 C ATOM 461 O SER A 337 42.650 0.200 10.892 1.00 0.00 O ATOM 462 CB SER A 337 40.598 1.880 8.941 1.00 0.00 C ATOM 463 OG SER A 337 39.817 1.011 9.752 1.00 0.00 O ATOM 0 H SER A 337 42.337 3.288 7.915 1.00 0.00 H new ATOM 0 HA SER A 337 41.804 2.573 10.581 1.00 0.00 H new ATOM 0 HB2 SER A 337 40.083 2.831 8.805 1.00 0.00 H new ATOM 0 HB3 SER A 337 40.734 1.447 7.950 1.00 0.00 H new ATOM 0 HG SER A 337 38.945 0.864 9.329 1.00 0.00 H new ATOM 469 N VAL A 338 43.263 0.267 8.729 1.00 0.00 N ATOM 470 CA VAL A 338 43.968 -1.009 8.784 1.00 0.00 C ATOM 471 C VAL A 338 45.126 -0.931 9.772 1.00 0.00 C ATOM 472 O VAL A 338 45.345 -1.852 10.560 1.00 0.00 O ATOM 473 CB VAL A 338 44.506 -1.369 7.394 1.00 0.00 C ATOM 474 CG1 VAL A 338 45.402 -2.604 7.495 1.00 0.00 C ATOM 475 CG2 VAL A 338 43.341 -1.656 6.437 1.00 0.00 C ATOM 0 H VAL A 338 43.279 0.722 7.816 1.00 0.00 H new ATOM 0 HA VAL A 338 43.270 -1.778 9.114 1.00 0.00 H new ATOM 0 HB VAL A 338 45.085 -0.530 7.008 1.00 0.00 H new ATOM 0 HG11 VAL A 338 45.784 -2.859 6.506 1.00 0.00 H new ATOM 0 HG12 VAL A 338 46.237 -2.394 8.163 1.00 0.00 H new ATOM 0 HG13 VAL A 338 44.825 -3.441 7.888 1.00 0.00 H new ATOM 0 HG21 VAL A 338 43.733 -1.911 5.452 1.00 0.00 H new ATOM 0 HG22 VAL A 338 42.752 -2.490 6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 338 42.709 -0.772 6.358 1.00 0.00 H new ATOM 485 N LEU A 339 45.866 0.169 9.726 1.00 0.00 N ATOM 486 CA LEU A 339 47.000 0.350 10.622 1.00 0.00 C ATOM 487 C LEU A 339 46.530 0.359 12.075 1.00 0.00 C ATOM 488 O LEU A 339 47.174 -0.218 12.949 1.00 0.00 O ATOM 489 CB LEU A 339 47.699 1.672 10.302 1.00 0.00 C ATOM 490 CG LEU A 339 48.396 1.576 8.938 1.00 0.00 C ATOM 491 CD1 LEU A 339 48.919 2.956 8.542 1.00 0.00 C ATOM 492 CD2 LEU A 339 49.568 0.588 9.002 1.00 0.00 C ATOM 0 H LEU A 339 45.703 0.944 9.083 1.00 0.00 H new ATOM 0 HA LEU A 339 47.697 -0.476 10.481 1.00 0.00 H new ATOM 0 HB2 LEU A 339 46.973 2.485 10.293 1.00 0.00 H new ATOM 0 HB3 LEU A 339 48.429 1.905 11.078 1.00 0.00 H new ATOM 0 HG LEU A 339 47.678 1.222 8.199 1.00 0.00 H new ATOM 0 HD11 LEU A 339 49.415 2.893 7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 339 48.086 3.656 8.478 1.00 0.00 H new ATOM 0 HD13 LEU A 339 49.629 3.305 9.292 1.00 0.00 H new ATOM 0 HD21 LEU A 339 50.051 0.532 8.026 1.00 0.00 H new ATOM 0 HD22 LEU A 339 50.290 0.927 9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 339 49.197 -0.399 9.280 1.00 0.00 H new ATOM 504 N GLU A 340 45.398 1.010 12.323 1.00 0.00 N ATOM 505 CA GLU A 340 44.846 1.078 13.671 1.00 0.00 C ATOM 506 C GLU A 340 44.457 -0.312 14.158 1.00 0.00 C ATOM 507 O GLU A 340 44.653 -0.653 15.324 1.00 0.00 O ATOM 508 CB GLU A 340 43.622 1.990 13.688 1.00 0.00 C ATOM 509 CG GLU A 340 44.069 3.434 13.471 1.00 0.00 C ATOM 510 CD GLU A 340 42.857 4.354 13.411 1.00 0.00 C ATOM 511 OE1 GLU A 340 41.753 3.842 13.345 1.00 0.00 O ATOM 512 OE2 GLU A 340 43.051 5.558 13.435 1.00 0.00 O ATOM 0 H GLU A 340 44.848 1.495 11.614 1.00 0.00 H new ATOM 0 HA GLU A 340 45.607 1.484 14.337 1.00 0.00 H new ATOM 0 HB2 GLU A 340 42.921 1.693 12.908 1.00 0.00 H new ATOM 0 HB3 GLU A 340 43.098 1.898 14.639 1.00 0.00 H new ATOM 0 HG2 GLU A 340 44.730 3.744 14.280 1.00 0.00 H new ATOM 0 HG3 GLU A 340 44.640 3.511 12.546 1.00 0.00 H new ATOM 519 N ASN A 341 43.905 -1.108 13.253 1.00 0.00 N ATOM 520 CA ASN A 341 43.489 -2.462 13.591 1.00 0.00 C ATOM 521 C ASN A 341 44.679 -3.294 14.052 1.00 0.00 C ATOM 522 O ASN A 341 44.546 -4.149 14.927 1.00 0.00 O ATOM 523 CB ASN A 341 42.842 -3.137 12.379 1.00 0.00 C ATOM 524 CG ASN A 341 41.476 -2.520 12.105 1.00 0.00 C ATOM 525 OD1 ASN A 341 40.893 -1.886 12.984 1.00 0.00 O ATOM 526 ND2 ASN A 341 40.923 -2.675 10.933 1.00 0.00 N ATOM 0 H ASN A 341 43.735 -0.841 12.283 1.00 0.00 H new ATOM 0 HA ASN A 341 42.764 -2.398 14.403 1.00 0.00 H new ATOM 0 HB2 ASN A 341 43.483 -3.024 11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 341 42.737 -4.207 12.561 1.00 0.00 H new ATOM 0 HD21 ASN A 341 40.006 -2.270 10.744 1.00 0.00 H new ATOM 0 HD22 ASN A 341 41.408 -3.201 10.206 1.00 0.00 H new ATOM 533 N LEU A 342 45.836 -3.062 13.438 1.00 0.00 N ATOM 534 CA LEU A 342 47.027 -3.825 13.782 1.00 0.00 C ATOM 535 C LEU A 342 47.365 -3.668 15.274 1.00 0.00 C ATOM 536 O LEU A 342 47.246 -2.573 15.837 1.00 0.00 O ATOM 537 CB LEU A 342 48.212 -3.353 12.936 1.00 0.00 C ATOM 538 CG LEU A 342 47.994 -3.749 11.467 1.00 0.00 C ATOM 539 CD1 LEU A 342 49.101 -3.144 10.602 1.00 0.00 C ATOM 540 CD2 LEU A 342 48.024 -5.276 11.320 1.00 0.00 C ATOM 0 H LEU A 342 45.972 -2.361 12.710 1.00 0.00 H new ATOM 0 HA LEU A 342 46.829 -4.877 13.578 1.00 0.00 H new ATOM 0 HB2 LEU A 342 48.321 -2.272 13.018 1.00 0.00 H new ATOM 0 HB3 LEU A 342 49.136 -3.796 13.308 1.00 0.00 H new ATOM 0 HG LEU A 342 47.023 -3.374 11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 342 48.944 -3.426 9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 342 49.080 -2.058 10.691 1.00 0.00 H new ATOM 0 HD13 LEU A 342 50.069 -3.516 10.937 1.00 0.00 H new ATOM 0 HD21 LEU A 342 47.868 -5.544 10.275 1.00 0.00 H new ATOM 0 HD22 LEU A 342 48.991 -5.655 11.652 1.00 0.00 H new ATOM 0 HD23 LEU A 342 47.234 -5.716 11.929 1.00 0.00 H new ATOM 552 N PRO A 343 47.781 -4.731 15.935 1.00 0.00 N ATOM 553 CA PRO A 343 48.120 -4.673 17.385 1.00 0.00 C ATOM 554 C PRO A 343 49.401 -3.891 17.646 1.00 0.00 C ATOM 555 O PRO A 343 50.397 -4.052 16.941 1.00 0.00 O ATOM 556 CB PRO A 343 48.288 -6.144 17.778 1.00 0.00 C ATOM 557 CG PRO A 343 48.666 -6.846 16.519 1.00 0.00 C ATOM 558 CD PRO A 343 47.979 -6.088 15.385 1.00 0.00 C ATOM 0 HA PRO A 343 47.353 -4.158 17.963 1.00 0.00 H new ATOM 0 HB2 PRO A 343 49.058 -6.262 18.541 1.00 0.00 H new ATOM 0 HB3 PRO A 343 47.364 -6.549 18.192 1.00 0.00 H new ATOM 0 HG2 PRO A 343 49.748 -6.850 16.385 1.00 0.00 H new ATOM 0 HG3 PRO A 343 48.344 -7.887 16.542 1.00 0.00 H new ATOM 0 HD2 PRO A 343 48.595 -6.069 14.486 1.00 0.00 H new ATOM 0 HD3 PRO A 343 47.031 -6.551 15.112 1.00 0.00 H new ATOM 566 N GLY A 344 49.366 -3.049 18.670 1.00 0.00 N ATOM 567 CA GLY A 344 50.529 -2.251 19.027 1.00 0.00 C ATOM 568 C GLY A 344 50.661 -1.039 18.116 1.00 0.00 C ATOM 569 O GLY A 344 51.605 -0.257 18.245 1.00 0.00 O ATOM 0 H GLY A 344 48.550 -2.902 19.264 1.00 0.00 H new ATOM 0 HA2 GLY A 344 50.445 -1.924 20.063 1.00 0.00 H new ATOM 0 HA3 GLY A 344 51.429 -2.862 18.957 1.00 0.00 H new ATOM 573 N VAL A 345 49.714 -0.883 17.194 1.00 0.00 N ATOM 574 CA VAL A 345 49.748 0.244 16.272 1.00 0.00 C ATOM 575 C VAL A 345 48.743 1.305 16.697 1.00 0.00 C ATOM 576 O VAL A 345 47.554 1.017 16.843 1.00 0.00 O ATOM 577 CB VAL A 345 49.414 -0.237 14.861 1.00 0.00 C ATOM 578 CG1 VAL A 345 49.435 0.950 13.896 1.00 0.00 C ATOM 579 CG2 VAL A 345 50.445 -1.276 14.415 1.00 0.00 C ATOM 0 H VAL A 345 48.924 -1.515 17.068 1.00 0.00 H new ATOM 0 HA VAL A 345 50.748 0.678 16.285 1.00 0.00 H new ATOM 0 HB VAL A 345 48.422 -0.688 14.859 1.00 0.00 H new ATOM 0 HG11 VAL A 345 49.197 0.605 12.890 1.00 0.00 H new ATOM 0 HG12 VAL A 345 48.697 1.688 14.211 1.00 0.00 H new ATOM 0 HG13 VAL A 345 50.426 1.404 13.899 1.00 0.00 H new ATOM 0 HG21 VAL A 345 50.205 -1.618 13.408 1.00 0.00 H new ATOM 0 HG22 VAL A 345 51.438 -0.828 14.419 1.00 0.00 H new ATOM 0 HG23 VAL A 345 50.427 -2.124 15.100 1.00 0.00 H new ATOM 589 N ASP A 346 49.223 2.535 16.895 1.00 0.00 N ATOM 590 CA ASP A 346 48.346 3.624 17.305 1.00 0.00 C ATOM 591 C ASP A 346 48.535 4.843 16.398 1.00 0.00 C ATOM 592 O ASP A 346 49.639 5.093 15.912 1.00 0.00 O ATOM 593 CB ASP A 346 48.651 4.010 18.755 1.00 0.00 C ATOM 594 CG ASP A 346 48.279 2.861 19.686 1.00 0.00 C ATOM 595 OD1 ASP A 346 47.598 1.955 19.235 1.00 0.00 O ATOM 596 OD2 ASP A 346 48.680 2.904 20.838 1.00 0.00 O ATOM 0 H ASP A 346 50.202 2.796 16.779 1.00 0.00 H new ATOM 0 HA ASP A 346 47.312 3.288 17.223 1.00 0.00 H new ATOM 0 HB2 ASP A 346 49.709 4.249 18.862 1.00 0.00 H new ATOM 0 HB3 ASP A 346 48.093 4.906 19.027 1.00 0.00 H new ATOM 601 N PRO A 347 47.493 5.611 16.166 1.00 0.00 N ATOM 602 CA PRO A 347 47.574 6.825 15.303 1.00 0.00 C ATOM 603 C PRO A 347 48.402 7.934 15.946 1.00 0.00 C ATOM 604 O PRO A 347 48.885 8.836 15.264 1.00 0.00 O ATOM 605 CB PRO A 347 46.112 7.250 15.132 1.00 0.00 C ATOM 606 CG PRO A 347 45.405 6.707 16.327 1.00 0.00 C ATOM 607 CD PRO A 347 46.130 5.414 16.696 1.00 0.00 C ATOM 0 HA PRO A 347 48.071 6.622 14.355 1.00 0.00 H new ATOM 0 HB2 PRO A 347 46.021 8.335 15.080 1.00 0.00 H new ATOM 0 HB3 PRO A 347 45.691 6.850 14.210 1.00 0.00 H new ATOM 0 HG2 PRO A 347 45.432 7.418 17.153 1.00 0.00 H new ATOM 0 HG3 PRO A 347 44.355 6.516 16.105 1.00 0.00 H new ATOM 0 HD2 PRO A 347 46.139 5.254 17.774 1.00 0.00 H new ATOM 0 HD3 PRO A 347 45.649 4.544 16.249 1.00 0.00 H new ATOM 615 N ASN A 348 48.558 7.860 17.266 1.00 0.00 N ATOM 616 CA ASN A 348 49.326 8.863 17.994 1.00 0.00 C ATOM 617 C ASN A 348 50.823 8.665 17.777 1.00 0.00 C ATOM 618 O ASN A 348 51.627 9.542 18.097 1.00 0.00 O ATOM 619 CB ASN A 348 49.013 8.779 19.489 1.00 0.00 C ATOM 620 CG ASN A 348 47.594 9.272 19.754 1.00 0.00 C ATOM 621 OD1 ASN A 348 47.014 9.971 18.924 1.00 0.00 O ATOM 622 ND2 ASN A 348 47.000 8.951 20.872 1.00 0.00 N ATOM 0 H ASN A 348 48.165 7.121 17.849 1.00 0.00 H new ATOM 0 HA ASN A 348 49.045 9.846 17.616 1.00 0.00 H new ATOM 0 HB2 ASN A 348 49.120 7.751 19.834 1.00 0.00 H new ATOM 0 HB3 ASN A 348 49.727 9.380 20.053 1.00 0.00 H new ATOM 0 HD21 ASN A 348 46.053 9.280 21.059 1.00 0.00 H new ATOM 0 HD22 ASN A 348 47.483 8.371 21.558 1.00 0.00 H new ATOM 629 N ASN A 349 51.197 7.510 17.235 1.00 0.00 N ATOM 630 CA ASN A 349 52.597 7.214 16.987 1.00 0.00 C ATOM 631 C ASN A 349 53.173 8.190 15.969 1.00 0.00 C ATOM 632 O ASN A 349 52.590 8.412 14.907 1.00 0.00 O ATOM 633 CB ASN A 349 52.742 5.784 16.467 1.00 0.00 C ATOM 634 CG ASN A 349 53.911 5.092 17.157 1.00 0.00 C ATOM 635 OD1 ASN A 349 54.985 5.677 17.301 1.00 0.00 O ATOM 636 ND2 ASN A 349 53.765 3.873 17.599 1.00 0.00 N ATOM 0 H ASN A 349 50.551 6.769 16.962 1.00 0.00 H new ATOM 0 HA ASN A 349 53.146 7.316 17.923 1.00 0.00 H new ATOM 0 HB2 ASN A 349 51.822 5.228 16.648 1.00 0.00 H new ATOM 0 HB3 ASN A 349 52.901 5.795 15.389 1.00 0.00 H new ATOM 0 HD21 ASN A 349 54.541 3.403 18.065 1.00 0.00 H new ATOM 0 HD22 ASN A 349 52.875 3.390 17.479 1.00 0.00 H new ATOM 643 N GLU A 350 54.318 8.767 16.302 1.00 0.00 N ATOM 644 CA GLU A 350 54.970 9.720 15.415 1.00 0.00 C ATOM 645 C GLU A 350 55.330 9.049 14.095 1.00 0.00 C ATOM 646 O GLU A 350 55.216 9.653 13.030 1.00 0.00 O ATOM 647 CB GLU A 350 56.237 10.274 16.075 1.00 0.00 C ATOM 648 CG GLU A 350 56.872 11.332 15.168 1.00 0.00 C ATOM 649 CD GLU A 350 58.098 11.936 15.846 1.00 0.00 C ATOM 650 OE1 GLU A 350 58.404 11.521 16.952 1.00 0.00 O ATOM 651 OE2 GLU A 350 58.712 12.806 15.250 1.00 0.00 O ATOM 0 H GLU A 350 54.814 8.593 17.176 1.00 0.00 H new ATOM 0 HA GLU A 350 54.281 10.542 15.220 1.00 0.00 H new ATOM 0 HB2 GLU A 350 55.993 10.711 17.043 1.00 0.00 H new ATOM 0 HB3 GLU A 350 56.946 9.466 16.259 1.00 0.00 H new ATOM 0 HG2 GLU A 350 57.157 10.883 14.217 1.00 0.00 H new ATOM 0 HG3 GLU A 350 56.147 12.115 14.946 1.00 0.00 H new ATOM 658 N ALA A 351 55.772 7.800 14.175 1.00 0.00 N ATOM 659 CA ALA A 351 56.154 7.062 12.977 1.00 0.00 C ATOM 660 C ALA A 351 54.968 6.926 12.032 1.00 0.00 C ATOM 661 O ALA A 351 55.108 7.087 10.820 1.00 0.00 O ATOM 662 CB ALA A 351 56.669 5.674 13.357 1.00 0.00 C ATOM 0 H ALA A 351 55.874 7.281 15.047 1.00 0.00 H new ATOM 0 HA ALA A 351 56.946 7.615 12.471 1.00 0.00 H new ATOM 0 HB1 ALA A 351 56.952 5.131 12.455 1.00 0.00 H new ATOM 0 HB2 ALA A 351 57.538 5.774 14.008 1.00 0.00 H new ATOM 0 HB3 ALA A 351 55.885 5.126 13.880 1.00 0.00 H new ATOM 668 N ILE A 352 53.801 6.637 12.591 1.00 0.00 N ATOM 669 CA ILE A 352 52.601 6.493 11.782 1.00 0.00 C ATOM 670 C ILE A 352 52.265 7.800 11.077 1.00 0.00 C ATOM 671 O ILE A 352 51.970 7.815 9.884 1.00 0.00 O ATOM 672 CB ILE A 352 51.425 6.059 12.661 1.00 0.00 C ATOM 673 CG1 ILE A 352 51.610 4.601 13.100 1.00 0.00 C ATOM 674 CG2 ILE A 352 50.123 6.195 11.874 1.00 0.00 C ATOM 675 CD1 ILE A 352 51.094 3.653 12.011 1.00 0.00 C ATOM 0 H ILE A 352 53.661 6.499 13.592 1.00 0.00 H new ATOM 0 HA ILE A 352 52.786 5.730 11.026 1.00 0.00 H new ATOM 0 HB ILE A 352 51.385 6.695 13.545 1.00 0.00 H new ATOM 0 HG12 ILE A 352 52.664 4.403 13.296 1.00 0.00 H new ATOM 0 HG13 ILE A 352 51.074 4.423 14.032 1.00 0.00 H new ATOM 0 HG21 ILE A 352 49.286 5.886 12.500 1.00 0.00 H new ATOM 0 HG22 ILE A 352 49.987 7.234 11.573 1.00 0.00 H new ATOM 0 HG23 ILE A 352 50.166 5.563 10.987 1.00 0.00 H new ATOM 0 HD11 ILE A 352 51.230 2.621 12.333 1.00 0.00 H new ATOM 0 HD12 ILE A 352 50.035 3.842 11.836 1.00 0.00 H new ATOM 0 HD13 ILE A 352 51.650 3.822 11.089 1.00 0.00 H new ATOM 687 N ARG A 353 52.310 8.892 11.824 1.00 0.00 N ATOM 688 CA ARG A 353 52.005 10.200 11.254 1.00 0.00 C ATOM 689 C ARG A 353 53.016 10.564 10.172 1.00 0.00 C ATOM 690 O ARG A 353 52.655 11.105 9.127 1.00 0.00 O ATOM 691 CB ARG A 353 52.020 11.266 12.352 1.00 0.00 C ATOM 692 CG ARG A 353 50.821 11.061 13.280 1.00 0.00 C ATOM 693 CD ARG A 353 50.920 12.026 14.463 1.00 0.00 C ATOM 694 NE ARG A 353 50.839 13.408 13.998 1.00 0.00 N ATOM 695 CZ ARG A 353 51.045 14.424 14.828 1.00 0.00 C ATOM 696 NH1 ARG A 353 50.961 15.652 14.391 1.00 0.00 N ATOM 697 NH2 ARG A 353 51.332 14.197 16.081 1.00 0.00 N ATOM 0 H ARG A 353 52.551 8.903 12.815 1.00 0.00 H new ATOM 0 HA ARG A 353 51.013 10.156 10.805 1.00 0.00 H new ATOM 0 HB2 ARG A 353 52.948 11.204 12.921 1.00 0.00 H new ATOM 0 HB3 ARG A 353 51.984 12.261 11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 353 49.893 11.231 12.735 1.00 0.00 H new ATOM 0 HG3 ARG A 353 50.796 10.032 13.638 1.00 0.00 H new ATOM 0 HD2 ARG A 353 50.117 11.826 15.172 1.00 0.00 H new ATOM 0 HD3 ARG A 353 51.860 11.868 14.992 1.00 0.00 H new ATOM 0 HE ARG A 353 50.621 13.596 13.020 1.00 0.00 H new ATOM 0 HH11 ARG A 353 50.737 15.831 13.412 1.00 0.00 H new ATOM 0 HH12 ARG A 353 51.119 16.432 15.029 1.00 0.00 H new ATOM 0 HH21 ARG A 353 51.398 13.238 16.423 1.00 0.00 H new ATOM 0 HH22 ARG A 353 51.490 14.978 16.718 1.00 0.00 H new ATOM 711 N ASN A 354 54.283 10.263 10.428 1.00 0.00 N ATOM 712 CA ASN A 354 55.337 10.563 9.467 1.00 0.00 C ATOM 713 C ASN A 354 55.123 9.794 8.168 1.00 0.00 C ATOM 714 O ASN A 354 55.289 10.341 7.076 1.00 0.00 O ATOM 715 CB ASN A 354 56.699 10.197 10.057 1.00 0.00 C ATOM 716 CG ASN A 354 57.812 10.702 9.148 1.00 0.00 C ATOM 717 OD1 ASN A 354 57.684 11.765 8.542 1.00 0.00 O ATOM 718 ND2 ASN A 354 58.902 9.998 9.015 1.00 0.00 N ATOM 0 H ASN A 354 54.604 9.815 11.286 1.00 0.00 H new ATOM 0 HA ASN A 354 55.306 11.631 9.250 1.00 0.00 H new ATOM 0 HB2 ASN A 354 56.803 10.633 11.051 1.00 0.00 H new ATOM 0 HB3 ASN A 354 56.776 9.116 10.174 1.00 0.00 H new ATOM 0 HD21 ASN A 354 59.652 10.328 8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 354 59.005 9.117 9.519 1.00 0.00 H new ATOM 725 N ALA A 355 54.761 8.521 8.293 1.00 0.00 N ATOM 726 CA ALA A 355 54.535 7.684 7.121 1.00 0.00 C ATOM 727 C ALA A 355 53.395 8.235 6.276 1.00 0.00 C ATOM 728 O ALA A 355 53.475 8.257 5.048 1.00 0.00 O ATOM 729 CB ALA A 355 54.201 6.258 7.558 1.00 0.00 C ATOM 0 H ALA A 355 54.619 8.050 9.186 1.00 0.00 H new ATOM 0 HA ALA A 355 55.445 7.681 6.522 1.00 0.00 H new ATOM 0 HB1 ALA A 355 54.033 5.638 6.678 1.00 0.00 H new ATOM 0 HB2 ALA A 355 55.031 5.851 8.136 1.00 0.00 H new ATOM 0 HB3 ALA A 355 53.301 6.267 8.172 1.00 0.00 H new ATOM 735 N MET A 356 52.332 8.677 6.938 1.00 0.00 N ATOM 736 CA MET A 356 51.184 9.223 6.226 1.00 0.00 C ATOM 737 C MET A 356 51.580 10.490 5.476 1.00 0.00 C ATOM 738 O MET A 356 51.143 10.712 4.346 1.00 0.00 O ATOM 739 CB MET A 356 50.062 9.545 7.219 1.00 0.00 C ATOM 740 CG MET A 356 49.476 8.258 7.821 1.00 0.00 C ATOM 741 SD MET A 356 48.692 7.253 6.529 1.00 0.00 S ATOM 742 CE MET A 356 49.950 5.950 6.419 1.00 0.00 C ATOM 0 H MET A 356 52.241 8.669 7.954 1.00 0.00 H new ATOM 0 HA MET A 356 50.833 8.481 5.509 1.00 0.00 H new ATOM 0 HB2 MET A 356 50.448 10.181 8.016 1.00 0.00 H new ATOM 0 HB3 MET A 356 49.275 10.107 6.715 1.00 0.00 H new ATOM 0 HG2 MET A 356 50.265 7.685 8.307 1.00 0.00 H new ATOM 0 HG3 MET A 356 48.744 8.509 8.589 1.00 0.00 H new ATOM 0 HE1 MET A 356 49.778 5.353 5.524 1.00 0.00 H new ATOM 0 HE2 MET A 356 50.940 6.403 6.368 1.00 0.00 H new ATOM 0 HE3 MET A 356 49.889 5.310 7.299 1.00 0.00 H new ATOM 752 N GLY A 357 52.411 11.317 6.104 1.00 0.00 N ATOM 753 CA GLY A 357 52.859 12.553 5.473 1.00 0.00 C ATOM 754 C GLY A 357 53.669 12.261 4.216 1.00 0.00 C ATOM 755 O GLY A 357 53.478 12.895 3.179 1.00 0.00 O ATOM 0 H GLY A 357 52.784 11.156 7.039 1.00 0.00 H new ATOM 0 HA2 GLY A 357 51.997 13.169 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 357 53.465 13.126 6.176 1.00 0.00 H new ATOM 759 N SER A 358 54.574 11.291 4.316 1.00 0.00 N ATOM 760 CA SER A 358 55.405 10.923 3.176 1.00 0.00 C ATOM 761 C SER A 358 54.561 10.294 2.072 1.00 0.00 C ATOM 762 O SER A 358 54.792 10.538 0.889 1.00 0.00 O ATOM 763 CB SER A 358 56.487 9.937 3.613 1.00 0.00 C ATOM 764 OG SER A 358 55.873 8.749 4.095 1.00 0.00 O ATOM 0 H SER A 358 54.749 10.752 5.164 1.00 0.00 H new ATOM 0 HA SER A 358 55.872 11.829 2.789 1.00 0.00 H new ATOM 0 HB2 SER A 358 57.145 9.706 2.775 1.00 0.00 H new ATOM 0 HB3 SER A 358 57.107 10.381 4.392 1.00 0.00 H new ATOM 0 HG SER A 358 55.004 8.968 4.492 1.00 0.00 H new ATOM 770 N LEU A 359 53.585 9.484 2.468 1.00 0.00 N ATOM 771 CA LEU A 359 52.718 8.825 1.499 1.00 0.00 C ATOM 772 C LEU A 359 51.928 9.862 0.708 1.00 0.00 C ATOM 773 O LEU A 359 51.809 9.769 -0.513 1.00 0.00 O ATOM 774 CB LEU A 359 51.754 7.874 2.222 1.00 0.00 C ATOM 775 CG LEU A 359 50.852 7.156 1.206 1.00 0.00 C ATOM 776 CD1 LEU A 359 51.709 6.317 0.253 1.00 0.00 C ATOM 777 CD2 LEU A 359 49.884 6.235 1.952 1.00 0.00 C ATOM 0 H LEU A 359 53.376 9.270 3.443 1.00 0.00 H new ATOM 0 HA LEU A 359 53.335 8.251 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 359 52.319 7.141 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 359 51.143 8.434 2.930 1.00 0.00 H new ATOM 0 HG LEU A 359 50.294 7.897 0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 359 51.064 5.810 -0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 359 52.404 6.967 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 359 52.269 5.576 0.824 1.00 0.00 H new ATOM 0 HD21 LEU A 359 49.242 5.724 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 359 50.449 5.498 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 359 49.270 6.826 2.631 1.00 0.00 H new ATOM 789 N ALA A 360 51.383 10.845 1.415 1.00 0.00 N ATOM 790 CA ALA A 360 50.601 11.891 0.769 1.00 0.00 C ATOM 791 C ALA A 360 51.457 12.668 -0.225 1.00 0.00 C ATOM 792 O ALA A 360 51.003 13.009 -1.317 1.00 0.00 O ATOM 793 CB ALA A 360 50.036 12.846 1.821 1.00 0.00 C ATOM 0 H ALA A 360 51.467 10.939 2.427 1.00 0.00 H new ATOM 0 HA ALA A 360 49.779 11.421 0.228 1.00 0.00 H new ATOM 0 HB1 ALA A 360 49.453 13.625 1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 360 49.396 12.293 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 360 50.856 13.302 2.376 1.00 0.00 H new ATOM 1099 N LYS B 25 37.242 -5.796 -3.072 1.00 0.00 N ATOM 1100 CA LYS B 25 38.624 -5.421 -3.346 1.00 0.00 C ATOM 1101 C LYS B 25 39.257 -4.789 -2.107 1.00 0.00 C ATOM 1102 O LYS B 25 40.418 -5.047 -1.789 1.00 0.00 O ATOM 1103 CB LYS B 25 38.675 -4.431 -4.513 1.00 0.00 C ATOM 1104 CG LYS B 25 40.126 -4.238 -4.968 1.00 0.00 C ATOM 1105 CD LYS B 25 40.488 -5.295 -6.014 1.00 0.00 C ATOM 1106 CE LYS B 25 40.115 -4.784 -7.407 1.00 0.00 C ATOM 1107 NZ LYS B 25 40.486 -5.809 -8.423 1.00 0.00 N ATOM 0 HA LYS B 25 39.183 -6.318 -3.610 1.00 0.00 H new ATOM 0 HB2 LYS B 25 38.071 -4.800 -5.342 1.00 0.00 H new ATOM 0 HB3 LYS B 25 38.249 -3.475 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS B 25 40.255 -3.240 -5.387 1.00 0.00 H new ATOM 0 HG3 LYS B 25 40.798 -4.315 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS B 25 41.555 -5.515 -5.970 1.00 0.00 H new ATOM 0 HD3 LYS B 25 39.961 -6.226 -5.803 1.00 0.00 H new ATOM 0 HE2 LYS B 25 39.046 -4.576 -7.457 1.00 0.00 H new ATOM 0 HE3 LYS B 25 40.632 -3.847 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 40.234 -5.465 -9.371 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 41.510 -5.986 -8.380 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 39.974 -6.693 -8.228 1.00 0.00 H new ATOM 1121 N ARG B 26 38.490 -3.955 -1.417 1.00 0.00 N ATOM 1122 CA ARG B 26 38.990 -3.284 -0.221 1.00 0.00 C ATOM 1123 C ARG B 26 39.389 -4.308 0.837 1.00 0.00 C ATOM 1124 O ARG B 26 40.416 -4.164 1.501 1.00 0.00 O ATOM 1125 CB ARG B 26 37.899 -2.377 0.349 1.00 0.00 C ATOM 1126 CG ARG B 26 37.672 -1.197 -0.592 1.00 0.00 C ATOM 1127 CD ARG B 26 36.504 -0.358 -0.079 1.00 0.00 C ATOM 1128 NE ARG B 26 36.290 0.795 -0.947 1.00 0.00 N ATOM 1129 CZ ARG B 26 35.601 0.684 -2.079 1.00 0.00 C ATOM 1130 NH1 ARG B 26 35.099 -0.470 -2.427 1.00 0.00 N ATOM 1131 NH2 ARG B 26 35.426 1.728 -2.843 1.00 0.00 N ATOM 0 H ARG B 26 37.526 -3.727 -1.661 1.00 0.00 H new ATOM 0 HA ARG B 26 39.864 -2.692 -0.493 1.00 0.00 H new ATOM 0 HB2 ARG B 26 36.973 -2.939 0.474 1.00 0.00 H new ATOM 0 HB3 ARG B 26 38.190 -2.017 1.336 1.00 0.00 H new ATOM 0 HG2 ARG B 26 38.573 -0.587 -0.653 1.00 0.00 H new ATOM 0 HG3 ARG B 26 37.462 -1.556 -1.599 1.00 0.00 H new ATOM 0 HD2 ARG B 26 35.600 -0.966 -0.041 1.00 0.00 H new ATOM 0 HD3 ARG B 26 36.707 -0.023 0.938 1.00 0.00 H new ATOM 0 HE ARG B 26 36.675 1.701 -0.681 1.00 0.00 H new ATOM 0 HH11 ARG B 26 35.235 -1.286 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG B 26 34.570 -0.555 -3.295 1.00 0.00 H new ATOM 0 HH21 ARG B 26 35.818 2.630 -2.572 1.00 0.00 H new ATOM 0 HH22 ARG B 26 34.897 1.642 -3.711 1.00 0.00 H new ATOM 1145 N ALA B 27 38.574 -5.346 0.985 1.00 0.00 N ATOM 1146 CA ALA B 27 38.861 -6.392 1.962 1.00 0.00 C ATOM 1147 C ALA B 27 40.177 -7.086 1.626 1.00 0.00 C ATOM 1148 O ALA B 27 40.974 -7.390 2.513 1.00 0.00 O ATOM 1149 CB ALA B 27 37.732 -7.422 1.981 1.00 0.00 C ATOM 0 H ALA B 27 37.718 -5.486 0.448 1.00 0.00 H new ATOM 0 HA ALA B 27 38.942 -5.930 2.946 1.00 0.00 H new ATOM 0 HB1 ALA B 27 37.958 -8.197 2.714 1.00 0.00 H new ATOM 0 HB2 ALA B 27 36.796 -6.931 2.249 1.00 0.00 H new ATOM 0 HB3 ALA B 27 37.635 -7.874 0.994 1.00 0.00 H new ATOM 1155 N ALA B 28 40.397 -7.334 0.339 1.00 0.00 N ATOM 1156 CA ALA B 28 41.620 -7.995 -0.105 1.00 0.00 C ATOM 1157 C ALA B 28 42.843 -7.158 0.253 1.00 0.00 C ATOM 1158 O ALA B 28 43.870 -7.692 0.674 1.00 0.00 O ATOM 1159 CB ALA B 28 41.576 -8.213 -1.618 1.00 0.00 C ATOM 0 H ALA B 28 39.750 -7.090 -0.411 1.00 0.00 H new ATOM 0 HA ALA B 28 41.692 -8.958 0.400 1.00 0.00 H new ATOM 0 HB1 ALA B 28 42.492 -8.707 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA B 28 40.719 -8.837 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA B 28 41.485 -7.251 -2.122 1.00 0.00 H new ATOM 1165 N ALA B 29 42.726 -5.844 0.084 1.00 0.00 N ATOM 1166 CA ALA B 29 43.830 -4.944 0.393 1.00 0.00 C ATOM 1167 C ALA B 29 44.195 -5.046 1.872 1.00 0.00 C ATOM 1168 O ALA B 29 45.372 -5.084 2.230 1.00 0.00 O ATOM 1169 CB ALA B 29 43.435 -3.500 0.055 1.00 0.00 C ATOM 0 H ALA B 29 41.885 -5.383 -0.262 1.00 0.00 H new ATOM 0 HA ALA B 29 44.695 -5.230 -0.205 1.00 0.00 H new ATOM 0 HB1 ALA B 29 44.264 -2.832 0.288 1.00 0.00 H new ATOM 0 HB2 ALA B 29 43.197 -3.427 -1.006 1.00 0.00 H new ATOM 0 HB3 ALA B 29 42.563 -3.214 0.643 1.00 0.00 H new ATOM 1175 N LYS B 30 43.174 -5.096 2.725 1.00 0.00 N ATOM 1176 CA LYS B 30 43.397 -5.204 4.164 1.00 0.00 C ATOM 1177 C LYS B 30 44.093 -6.519 4.504 1.00 0.00 C ATOM 1178 O LYS B 30 45.006 -6.553 5.328 1.00 0.00 O ATOM 1179 CB LYS B 30 42.063 -5.119 4.915 1.00 0.00 C ATOM 1180 CG LYS B 30 42.310 -5.199 6.426 1.00 0.00 C ATOM 1181 CD LYS B 30 40.981 -5.061 7.170 1.00 0.00 C ATOM 1182 CE LYS B 30 41.232 -5.150 8.676 1.00 0.00 C ATOM 1183 NZ LYS B 30 39.940 -5.000 9.405 1.00 0.00 N ATOM 0 H LYS B 30 42.193 -5.064 2.448 1.00 0.00 H new ATOM 0 HA LYS B 30 44.037 -4.377 4.472 1.00 0.00 H new ATOM 0 HB2 LYS B 30 41.556 -4.186 4.669 1.00 0.00 H new ATOM 0 HB3 LYS B 30 41.407 -5.931 4.601 1.00 0.00 H new ATOM 0 HG2 LYS B 30 42.783 -6.148 6.678 1.00 0.00 H new ATOM 0 HG3 LYS B 30 42.995 -4.410 6.735 1.00 0.00 H new ATOM 0 HD2 LYS B 30 40.511 -4.109 6.924 1.00 0.00 H new ATOM 0 HD3 LYS B 30 40.293 -5.847 6.857 1.00 0.00 H new ATOM 0 HE2 LYS B 30 41.692 -6.107 8.923 1.00 0.00 H new ATOM 0 HE3 LYS B 30 41.929 -4.372 8.986 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 40.110 -5.060 10.429 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 39.518 -4.077 9.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 39.289 -5.758 9.117 1.00 0.00 H new ATOM 1197 N HIS B 31 43.644 -7.601 3.875 1.00 0.00 N ATOM 1198 CA HIS B 31 44.223 -8.913 4.134 1.00 0.00 C ATOM 1199 C HIS B 31 45.701 -8.936 3.767 1.00 0.00 C ATOM 1200 O HIS B 31 46.520 -9.484 4.505 1.00 0.00 O ATOM 1201 CB HIS B 31 43.484 -9.978 3.318 1.00 0.00 C ATOM 1202 CG HIS B 31 42.179 -10.314 3.987 1.00 0.00 C ATOM 1203 ND1 HIS B 31 42.121 -11.032 5.172 1.00 0.00 N ATOM 1204 CD2 HIS B 31 40.875 -10.048 3.646 1.00 0.00 C ATOM 1205 CE1 HIS B 31 40.824 -11.172 5.499 1.00 0.00 C ATOM 1206 NE2 HIS B 31 40.023 -10.590 4.602 1.00 0.00 N ATOM 0 H HIS B 31 42.889 -7.595 3.189 1.00 0.00 H new ATOM 0 HA HIS B 31 44.122 -9.125 5.198 1.00 0.00 H new ATOM 0 HB2 HIS B 31 43.302 -9.614 2.307 1.00 0.00 H new ATOM 0 HB3 HIS B 31 44.099 -10.873 3.229 1.00 0.00 H new ATOM 0 HD2 HIS B 31 40.560 -9.501 2.769 1.00 0.00 H new ATOM 0 HE1 HIS B 31 40.473 -11.691 6.379 1.00 0.00 H new ATOM 0 HE2 HIS B 31 39.004 -10.551 4.616 1.00 0.00 H new ATOM 1215 N LEU B 32 46.040 -8.337 2.633 1.00 0.00 N ATOM 1216 CA LEU B 32 47.428 -8.297 2.196 1.00 0.00 C ATOM 1217 C LEU B 32 48.279 -7.524 3.193 1.00 0.00 C ATOM 1218 O LEU B 32 49.348 -7.980 3.590 1.00 0.00 O ATOM 1219 CB LEU B 32 47.515 -7.625 0.824 1.00 0.00 C ATOM 1220 CG LEU B 32 46.941 -8.561 -0.248 1.00 0.00 C ATOM 1221 CD1 LEU B 32 46.795 -7.796 -1.563 1.00 0.00 C ATOM 1222 CD2 LEU B 32 47.878 -9.760 -0.463 1.00 0.00 C ATOM 0 H LEU B 32 45.381 -7.877 2.005 1.00 0.00 H new ATOM 0 HA LEU B 32 47.803 -9.318 2.131 1.00 0.00 H new ATOM 0 HB2 LEU B 32 46.963 -6.685 0.833 1.00 0.00 H new ATOM 0 HB3 LEU B 32 48.552 -7.383 0.592 1.00 0.00 H new ATOM 0 HG LEU B 32 45.968 -8.923 0.083 1.00 0.00 H new ATOM 0 HD11 LEU B 32 46.387 -8.459 -2.326 1.00 0.00 H new ATOM 0 HD12 LEU B 32 46.122 -6.951 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU B 32 47.771 -7.432 -1.883 1.00 0.00 H new ATOM 0 HD21 LEU B 32 47.460 -10.417 -1.226 1.00 0.00 H new ATOM 0 HD22 LEU B 32 48.856 -9.404 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU B 32 47.984 -10.311 0.471 1.00 0.00 H new ATOM 1234 N ILE B 33 47.788 -6.362 3.608 1.00 0.00 N ATOM 1235 CA ILE B 33 48.518 -5.543 4.567 1.00 0.00 C ATOM 1236 C ILE B 33 48.688 -6.287 5.883 1.00 0.00 C ATOM 1237 O ILE B 33 49.778 -6.319 6.451 1.00 0.00 O ATOM 1238 CB ILE B 33 47.775 -4.229 4.807 1.00 0.00 C ATOM 1239 CG1 ILE B 33 47.841 -3.373 3.538 1.00 0.00 C ATOM 1240 CG2 ILE B 33 48.435 -3.478 5.965 1.00 0.00 C ATOM 1241 CD1 ILE B 33 46.869 -2.198 3.660 1.00 0.00 C ATOM 0 H ILE B 33 46.898 -5.970 3.300 1.00 0.00 H new ATOM 0 HA ILE B 33 49.505 -5.327 4.157 1.00 0.00 H new ATOM 0 HB ILE B 33 46.734 -4.435 5.055 1.00 0.00 H new ATOM 0 HG12 ILE B 33 48.856 -3.004 3.388 1.00 0.00 H new ATOM 0 HG13 ILE B 33 47.589 -3.977 2.666 1.00 0.00 H new ATOM 0 HG21 ILE B 33 47.907 -2.540 6.138 1.00 0.00 H new ATOM 0 HG22 ILE B 33 48.393 -4.090 6.866 1.00 0.00 H new ATOM 0 HG23 ILE B 33 49.475 -3.268 5.717 1.00 0.00 H new ATOM 0 HD11 ILE B 33 46.917 -1.590 2.756 1.00 0.00 H new ATOM 0 HD12 ILE B 33 45.855 -2.577 3.789 1.00 0.00 H new ATOM 0 HD13 ILE B 33 47.141 -1.589 4.522 1.00 0.00 H new ATOM 1253 N GLU B 34 47.604 -6.888 6.358 1.00 0.00 N ATOM 1254 CA GLU B 34 47.648 -7.634 7.606 1.00 0.00 C ATOM 1255 C GLU B 34 48.617 -8.803 7.492 1.00 0.00 C ATOM 1256 O GLU B 34 49.432 -9.034 8.386 1.00 0.00 O ATOM 1257 CB GLU B 34 46.248 -8.149 7.952 1.00 0.00 C ATOM 1258 CG GLU B 34 46.293 -8.921 9.274 1.00 0.00 C ATOM 1259 CD GLU B 34 44.885 -9.331 9.690 1.00 0.00 C ATOM 1260 OE1 GLU B 34 43.957 -9.000 8.970 1.00 0.00 O ATOM 1261 OE2 GLU B 34 44.756 -9.969 10.721 1.00 0.00 O ATOM 0 H GLU B 34 46.692 -6.873 5.902 1.00 0.00 H new ATOM 0 HA GLU B 34 47.994 -6.971 8.399 1.00 0.00 H new ATOM 0 HB2 GLU B 34 45.552 -7.314 8.031 1.00 0.00 H new ATOM 0 HB3 GLU B 34 45.881 -8.795 7.155 1.00 0.00 H new ATOM 0 HG2 GLU B 34 46.921 -9.806 9.166 1.00 0.00 H new ATOM 0 HG3 GLU B 34 46.744 -8.303 10.050 1.00 0.00 H new ATOM 1268 N ARG B 35 48.529 -9.535 6.384 1.00 0.00 N ATOM 1269 CA ARG B 35 49.413 -10.673 6.172 1.00 0.00 C ATOM 1270 C ARG B 35 50.866 -10.228 6.067 1.00 0.00 C ATOM 1271 O ARG B 35 51.759 -10.880 6.606 1.00 0.00 O ATOM 1272 CB ARG B 35 49.007 -11.423 4.902 1.00 0.00 C ATOM 1273 CG ARG B 35 47.715 -12.201 5.165 1.00 0.00 C ATOM 1274 CD ARG B 35 47.330 -13.010 3.925 1.00 0.00 C ATOM 1275 NE ARG B 35 46.786 -12.130 2.897 1.00 0.00 N ATOM 1276 CZ ARG B 35 46.346 -12.614 1.741 1.00 0.00 C ATOM 1277 NH1 ARG B 35 46.414 -13.896 1.501 1.00 0.00 N ATOM 1278 NH2 ARG B 35 45.834 -11.810 0.849 1.00 0.00 N ATOM 0 H ARG B 35 47.864 -9.363 5.630 1.00 0.00 H new ATOM 0 HA ARG B 35 49.320 -11.338 7.031 1.00 0.00 H new ATOM 0 HB2 ARG B 35 48.861 -10.720 4.082 1.00 0.00 H new ATOM 0 HB3 ARG B 35 49.801 -12.106 4.600 1.00 0.00 H new ATOM 0 HG2 ARG B 35 47.849 -12.867 6.017 1.00 0.00 H new ATOM 0 HG3 ARG B 35 46.912 -11.511 5.423 1.00 0.00 H new ATOM 0 HD2 ARG B 35 48.204 -13.535 3.539 1.00 0.00 H new ATOM 0 HD3 ARG B 35 46.594 -13.769 4.191 1.00 0.00 H new ATOM 0 HE ARG B 35 46.743 -11.125 3.069 1.00 0.00 H new ATOM 0 HH11 ARG B 35 46.805 -14.526 2.201 1.00 0.00 H new ATOM 0 HH12 ARG B 35 46.076 -14.267 0.613 1.00 0.00 H new ATOM 0 HH21 ARG B 35 45.772 -10.810 1.040 1.00 0.00 H new ATOM 0 HH22 ARG B 35 45.496 -12.182 -0.039 1.00 0.00 H new ATOM 1292 N TYR B 36 51.097 -9.117 5.378 1.00 0.00 N ATOM 1293 CA TYR B 36 52.453 -8.607 5.220 1.00 0.00 C ATOM 1294 C TYR B 36 53.052 -8.248 6.577 1.00 0.00 C ATOM 1295 O TYR B 36 54.186 -8.611 6.881 1.00 0.00 O ATOM 1296 CB TYR B 36 52.440 -7.364 4.325 1.00 0.00 C ATOM 1297 CG TYR B 36 52.473 -7.778 2.872 1.00 0.00 C ATOM 1298 CD1 TYR B 36 51.570 -7.220 1.958 1.00 0.00 C ATOM 1299 CD2 TYR B 36 53.405 -8.727 2.439 1.00 0.00 C ATOM 1300 CE1 TYR B 36 51.600 -7.609 0.615 1.00 0.00 C ATOM 1301 CE2 TYR B 36 53.436 -9.115 1.094 1.00 0.00 C ATOM 1302 CZ TYR B 36 52.535 -8.557 0.182 1.00 0.00 C ATOM 1303 OH TYR B 36 52.565 -8.942 -1.143 1.00 0.00 O ATOM 0 H TYR B 36 50.374 -8.558 4.925 1.00 0.00 H new ATOM 0 HA TYR B 36 53.063 -9.384 4.759 1.00 0.00 H new ATOM 0 HB2 TYR B 36 51.547 -6.771 4.523 1.00 0.00 H new ATOM 0 HB3 TYR B 36 53.299 -6.732 4.552 1.00 0.00 H new ATOM 0 HD1 TYR B 36 50.849 -6.488 2.291 1.00 0.00 H new ATOM 0 HD2 TYR B 36 54.101 -9.160 3.142 1.00 0.00 H new ATOM 0 HE1 TYR B 36 50.902 -7.178 -0.088 1.00 0.00 H new ATOM 0 HE2 TYR B 36 54.157 -9.847 0.760 1.00 0.00 H new ATOM 0 HH TYR B 36 53.405 -9.412 -1.328 1.00 0.00 H new ATOM 1313 N TYR B 37 52.276 -7.539 7.388 1.00 0.00 N ATOM 1314 CA TYR B 37 52.731 -7.139 8.713 1.00 0.00 C ATOM 1315 C TYR B 37 53.005 -8.352 9.589 1.00 0.00 C ATOM 1316 O TYR B 37 54.054 -8.445 10.227 1.00 0.00 O ATOM 1317 CB TYR B 37 51.683 -6.249 9.381 1.00 0.00 C ATOM 1318 CG TYR B 37 52.054 -6.037 10.830 1.00 0.00 C ATOM 1319 CD1 TYR B 37 53.055 -5.120 11.174 1.00 0.00 C ATOM 1320 CD2 TYR B 37 51.397 -6.764 11.828 1.00 0.00 C ATOM 1321 CE1 TYR B 37 53.397 -4.932 12.519 1.00 0.00 C ATOM 1322 CE2 TYR B 37 51.738 -6.576 13.173 1.00 0.00 C ATOM 1323 CZ TYR B 37 52.739 -5.659 13.519 1.00 0.00 C ATOM 1324 OH TYR B 37 53.074 -5.474 14.844 1.00 0.00 O ATOM 0 H TYR B 37 51.333 -7.231 7.152 1.00 0.00 H new ATOM 0 HA TYR B 37 53.661 -6.582 8.595 1.00 0.00 H new ATOM 0 HB2 TYR B 37 51.622 -5.290 8.866 1.00 0.00 H new ATOM 0 HB3 TYR B 37 50.699 -6.712 9.310 1.00 0.00 H new ATOM 0 HD1 TYR B 37 53.562 -4.559 10.403 1.00 0.00 H new ATOM 0 HD2 TYR B 37 50.626 -7.471 11.561 1.00 0.00 H new ATOM 0 HE1 TYR B 37 54.169 -4.225 12.785 1.00 0.00 H new ATOM 0 HE2 TYR B 37 51.230 -7.137 13.943 1.00 0.00 H new ATOM 0 HH TYR B 37 53.982 -5.807 15.001 1.00 0.00 H new ATOM 1334 N HIS B 38 52.049 -9.272 9.629 1.00 0.00 N ATOM 1335 CA HIS B 38 52.195 -10.465 10.448 1.00 0.00 C ATOM 1336 C HIS B 38 53.340 -11.360 9.995 1.00 0.00 C ATOM 1337 O HIS B 38 54.083 -11.887 10.816 1.00 0.00 O ATOM 1338 CB HIS B 38 50.929 -11.316 10.350 1.00 0.00 C ATOM 1339 CG HIS B 38 49.844 -10.701 11.186 1.00 0.00 C ATOM 1340 ND1 HIS B 38 48.529 -11.131 11.119 1.00 0.00 N ATOM 1341 CD2 HIS B 38 49.861 -9.689 12.113 1.00 0.00 C ATOM 1342 CE1 HIS B 38 47.816 -10.388 11.983 1.00 0.00 C ATOM 1343 NE2 HIS B 38 48.579 -9.492 12.616 1.00 0.00 N ATOM 0 H HIS B 38 51.173 -9.215 9.109 1.00 0.00 H new ATOM 0 HA HIS B 38 52.388 -10.110 11.460 1.00 0.00 H new ATOM 0 HB2 HIS B 38 50.606 -11.387 9.311 1.00 0.00 H new ATOM 0 HB3 HIS B 38 51.133 -12.331 10.691 1.00 0.00 H new ATOM 0 HD2 HIS B 38 50.737 -9.130 12.407 1.00 0.00 H new ATOM 0 HE1 HIS B 38 46.754 -10.502 12.146 1.00 0.00 H new ATOM 0 HE2 HIS B 38 48.285 -8.811 13.316 1.00 0.00 H new ATOM 1352 N GLN B 39 53.513 -11.469 8.682 1.00 0.00 N ATOM 1353 CA GLN B 39 54.616 -12.244 8.127 1.00 0.00 C ATOM 1354 C GLN B 39 55.949 -11.565 8.395 1.00 0.00 C ATOM 1355 O GLN B 39 56.946 -12.226 8.683 1.00 0.00 O ATOM 1356 CB GLN B 39 54.433 -12.426 6.619 1.00 0.00 C ATOM 1357 CG GLN B 39 55.708 -13.028 6.020 1.00 0.00 C ATOM 1358 CD GLN B 39 55.401 -14.393 5.416 1.00 0.00 C ATOM 1359 OE1 GLN B 39 54.558 -15.124 5.933 1.00 0.00 O ATOM 1360 NE2 GLN B 39 56.037 -14.783 4.344 1.00 0.00 N ATOM 0 H GLN B 39 52.908 -11.033 7.986 1.00 0.00 H new ATOM 0 HA GLN B 39 54.615 -13.219 8.613 1.00 0.00 H new ATOM 0 HB2 GLN B 39 53.582 -13.078 6.421 1.00 0.00 H new ATOM 0 HB3 GLN B 39 54.215 -11.467 6.150 1.00 0.00 H new ATOM 0 HG2 GLN B 39 56.110 -12.364 5.255 1.00 0.00 H new ATOM 0 HG3 GLN B 39 56.472 -13.125 6.791 1.00 0.00 H new ATOM 0 HE21 GLN B 39 56.736 -14.176 3.916 1.00 0.00 H new ATOM 0 HE22 GLN B 39 55.835 -15.695 3.934 1.00 0.00 H new ATOM 1369 N LEU B 40 55.965 -10.243 8.291 1.00 0.00 N ATOM 1370 CA LEU B 40 57.191 -9.500 8.517 1.00 0.00 C ATOM 1371 C LEU B 40 57.687 -9.723 9.941 1.00 0.00 C ATOM 1372 O LEU B 40 58.881 -9.914 10.166 1.00 0.00 O ATOM 1373 CB LEU B 40 56.946 -8.005 8.285 1.00 0.00 C ATOM 1374 CG LEU B 40 58.252 -7.219 8.469 1.00 0.00 C ATOM 1375 CD1 LEU B 40 59.284 -7.672 7.431 1.00 0.00 C ATOM 1376 CD2 LEU B 40 57.968 -5.732 8.283 1.00 0.00 C ATOM 0 H LEU B 40 55.153 -9.672 8.055 1.00 0.00 H new ATOM 0 HA LEU B 40 57.949 -9.854 7.818 1.00 0.00 H new ATOM 0 HB2 LEU B 40 56.555 -7.845 7.280 1.00 0.00 H new ATOM 0 HB3 LEU B 40 56.192 -7.640 8.982 1.00 0.00 H new ATOM 0 HG LEU B 40 58.647 -7.401 9.468 1.00 0.00 H new ATOM 0 HD11 LEU B 40 60.208 -7.110 7.567 1.00 0.00 H new ATOM 0 HD12 LEU B 40 59.484 -8.736 7.557 1.00 0.00 H new ATOM 0 HD13 LEU B 40 58.895 -7.493 6.429 1.00 0.00 H new ATOM 0 HD21 LEU B 40 58.891 -5.166 8.412 1.00 0.00 H new ATOM 0 HD22 LEU B 40 57.574 -5.559 7.282 1.00 0.00 H new ATOM 0 HD23 LEU B 40 57.236 -5.406 9.022 1.00 0.00 H new ATOM 1388 N THR B 41 56.771 -9.682 10.902 1.00 0.00 N ATOM 1389 CA THR B 41 57.147 -9.877 12.297 1.00 0.00 C ATOM 1390 C THR B 41 57.303 -11.361 12.628 1.00 0.00 C ATOM 1391 O THR B 41 58.347 -11.786 13.123 1.00 0.00 O ATOM 1392 CB THR B 41 56.084 -9.263 13.211 1.00 0.00 C ATOM 1393 OG1 THR B 41 54.822 -9.852 12.926 1.00 0.00 O ATOM 1394 CG2 THR B 41 56.009 -7.750 12.976 1.00 0.00 C ATOM 0 H THR B 41 55.777 -9.518 10.745 1.00 0.00 H new ATOM 0 HA THR B 41 58.106 -9.385 12.458 1.00 0.00 H new ATOM 0 HB THR B 41 56.349 -9.451 14.252 1.00 0.00 H new ATOM 0 HG1 THR B 41 54.406 -9.385 12.172 1.00 0.00 H new ATOM 0 HG21 THR B 41 55.251 -7.318 13.629 1.00 0.00 H new ATOM 0 HG22 THR B 41 56.977 -7.299 13.195 1.00 0.00 H new ATOM 0 HG23 THR B 41 55.746 -7.556 11.936 1.00 0.00 H new ATOM 1402 N GLU B 42 56.260 -12.146 12.362 1.00 0.00 N ATOM 1403 CA GLU B 42 56.341 -13.591 12.564 1.00 0.00 C ATOM 1404 C GLU B 42 57.422 -14.276 11.735 1.00 0.00 C ATOM 1405 O GLU B 42 58.258 -15.004 12.268 1.00 0.00 O ATOM 1406 CB GLU B 42 54.985 -14.230 12.253 1.00 0.00 C ATOM 1407 CG GLU B 42 53.943 -13.728 13.256 1.00 0.00 C ATOM 1408 CD GLU B 42 52.560 -14.245 12.876 1.00 0.00 C ATOM 1409 OE1 GLU B 42 52.430 -14.784 11.789 1.00 0.00 O ATOM 1410 OE2 GLU B 42 51.653 -14.096 13.677 1.00 0.00 O ATOM 0 H GLU B 42 55.362 -11.812 12.011 1.00 0.00 H new ATOM 0 HA GLU B 42 56.615 -13.735 13.609 1.00 0.00 H new ATOM 0 HB2 GLU B 42 54.678 -13.981 11.237 1.00 0.00 H new ATOM 0 HB3 GLU B 42 55.062 -15.316 12.305 1.00 0.00 H new ATOM 0 HG2 GLU B 42 54.202 -14.063 14.260 1.00 0.00 H new ATOM 0 HG3 GLU B 42 53.940 -12.638 13.275 1.00 0.00 H new ATOM 1417 N GLY B 43 57.398 -14.037 10.430 1.00 0.00 N ATOM 1418 CA GLY B 43 58.505 -14.489 9.574 1.00 0.00 C ATOM 1419 C GLY B 43 58.016 -15.816 9.009 1.00 0.00 C ATOM 1420 O GLY B 43 56.834 -16.147 9.110 1.00 0.00 O ATOM 0 H GLY B 43 56.648 -13.546 9.944 1.00 0.00 H new ATOM 0 HA2 GLY B 43 58.715 -13.771 8.781 1.00 0.00 H new ATOM 0 HA3 GLY B 43 59.426 -14.613 10.144 1.00 0.00 H new ATOM 1424 N CYS B 44 58.934 -16.577 8.425 1.00 0.00 N ATOM 1425 CA CYS B 44 58.582 -17.875 7.857 1.00 0.00 C ATOM 1426 C CYS B 44 58.979 -19.000 8.805 1.00 0.00 C ATOM 1427 O CYS B 44 58.574 -20.148 8.623 1.00 0.00 O ATOM 1428 CB CYS B 44 59.275 -18.068 6.508 1.00 0.00 C ATOM 1429 SG CYS B 44 61.074 -18.053 6.732 1.00 0.00 S ATOM 0 H CYS B 44 59.917 -16.323 8.332 1.00 0.00 H new ATOM 0 HA CYS B 44 57.502 -17.903 7.711 1.00 0.00 H new ATOM 0 HB2 CYS B 44 58.963 -19.012 6.061 1.00 0.00 H new ATOM 0 HB3 CYS B 44 58.979 -17.276 5.820 1.00 0.00 H new ATOM 0 HG CYS B 44 61.601 -17.160 5.948 1.00 0.00 H new ATOM 1434 N GLY B 45 59.767 -18.662 9.820 1.00 0.00 N ATOM 1435 CA GLY B 45 60.206 -19.655 10.792 1.00 0.00 C ATOM 1436 C GLY B 45 61.560 -20.241 10.402 1.00 0.00 C ATOM 1437 O GLY B 45 62.251 -20.835 11.227 1.00 0.00 O ATOM 0 H GLY B 45 60.112 -17.717 9.990 1.00 0.00 H new ATOM 0 HA2 GLY B 45 60.274 -19.197 11.779 1.00 0.00 H new ATOM 0 HA3 GLY B 45 59.467 -20.453 10.861 1.00 0.00 H new ATOM 1441 N ASN B 46 61.929 -20.067 9.136 1.00 0.00 N ATOM 1442 CA ASN B 46 63.202 -20.583 8.644 1.00 0.00 C ATOM 1443 C ASN B 46 64.343 -19.651 9.037 1.00 0.00 C ATOM 1444 O ASN B 46 64.349 -18.475 8.673 1.00 0.00 O ATOM 1445 CB ASN B 46 63.160 -20.726 7.122 1.00 0.00 C ATOM 1446 CG ASN B 46 64.374 -21.513 6.640 1.00 0.00 C ATOM 1447 OD1 ASN B 46 64.814 -22.449 7.308 1.00 0.00 O ATOM 1448 ND2 ASN B 46 64.948 -21.187 5.514 1.00 0.00 N ATOM 0 H ASN B 46 61.370 -19.577 8.438 1.00 0.00 H new ATOM 0 HA ASN B 46 63.372 -21.561 9.093 1.00 0.00 H new ATOM 0 HB2 ASN B 46 62.244 -21.234 6.821 1.00 0.00 H new ATOM 0 HB3 ASN B 46 63.146 -19.741 6.656 1.00 0.00 H new ATOM 0 HD21 ASN B 46 65.762 -21.708 5.187 1.00 0.00 H new ATOM 0 HD22 ASN B 46 64.583 -20.411 4.961 1.00 0.00 H new ATOM 1455 N GLU B 47 65.305 -20.181 9.784 1.00 0.00 N ATOM 1456 CA GLU B 47 66.444 -19.383 10.223 1.00 0.00 C ATOM 1457 C GLU B 47 67.229 -18.871 9.018 1.00 0.00 C ATOM 1458 O GLU B 47 67.659 -17.718 8.991 1.00 0.00 O ATOM 1459 CB GLU B 47 67.359 -20.224 11.118 1.00 0.00 C ATOM 1460 CG GLU B 47 68.510 -19.359 11.638 1.00 0.00 C ATOM 1461 CD GLU B 47 69.378 -20.168 12.596 1.00 0.00 C ATOM 1462 OE1 GLU B 47 69.066 -21.326 12.813 1.00 0.00 O ATOM 1463 OE2 GLU B 47 70.343 -19.615 13.101 1.00 0.00 O ATOM 0 H GLU B 47 65.320 -21.152 10.096 1.00 0.00 H new ATOM 0 HA GLU B 47 66.073 -18.530 10.791 1.00 0.00 H new ATOM 0 HB2 GLU B 47 66.791 -20.631 11.954 1.00 0.00 H new ATOM 0 HB3 GLU B 47 67.753 -21.072 10.557 1.00 0.00 H new ATOM 0 HG2 GLU B 47 69.112 -19.000 10.803 1.00 0.00 H new ATOM 0 HG3 GLU B 47 68.114 -18.480 12.147 1.00 0.00 H new ATOM 1470 N ALA B 48 67.413 -19.735 8.026 1.00 0.00 N ATOM 1471 CA ALA B 48 68.148 -19.356 6.823 1.00 0.00 C ATOM 1472 C ALA B 48 67.193 -18.868 5.740 1.00 0.00 C ATOM 1473 O ALA B 48 67.195 -19.375 4.620 1.00 0.00 O ATOM 1474 CB ALA B 48 68.946 -20.551 6.300 1.00 0.00 C ATOM 0 H ALA B 48 67.067 -20.695 8.029 1.00 0.00 H new ATOM 0 HA ALA B 48 68.831 -18.546 7.080 1.00 0.00 H new ATOM 0 HB1 ALA B 48 69.491 -20.260 5.402 1.00 0.00 H new ATOM 0 HB2 ALA B 48 69.652 -20.879 7.063 1.00 0.00 H new ATOM 0 HB3 ALA B 48 68.264 -21.367 6.061 1.00 0.00 H new ATOM 1480 N CYS B 49 66.378 -17.877 6.085 1.00 0.00 N ATOM 1481 CA CYS B 49 65.422 -17.322 5.137 1.00 0.00 C ATOM 1482 C CYS B 49 66.146 -16.653 3.976 1.00 0.00 C ATOM 1483 O CYS B 49 67.091 -15.888 4.175 1.00 0.00 O ATOM 1484 CB CYS B 49 64.519 -16.305 5.836 1.00 0.00 C ATOM 1485 SG CYS B 49 63.350 -15.625 4.638 1.00 0.00 S ATOM 0 H CYS B 49 66.361 -17.444 7.009 1.00 0.00 H new ATOM 0 HA CYS B 49 64.812 -18.137 4.747 1.00 0.00 H new ATOM 0 HB2 CYS B 49 63.982 -16.781 6.656 1.00 0.00 H new ATOM 0 HB3 CYS B 49 65.120 -15.506 6.270 1.00 0.00 H new ATOM 0 HG CYS B 49 62.217 -15.383 5.227 1.00 0.00 H new ATOM 1490 N THR B 50 65.702 -16.956 2.763 1.00 0.00 N ATOM 1491 CA THR B 50 66.315 -16.389 1.566 1.00 0.00 C ATOM 1492 C THR B 50 65.543 -15.165 1.085 1.00 0.00 C ATOM 1493 O THR B 50 65.851 -14.601 0.035 1.00 0.00 O ATOM 1494 CB THR B 50 66.350 -17.439 0.453 1.00 0.00 C ATOM 1495 OG1 THR B 50 65.025 -17.839 0.138 1.00 0.00 O ATOM 1496 CG2 THR B 50 67.156 -18.654 0.916 1.00 0.00 C ATOM 0 H THR B 50 64.923 -17.589 2.581 1.00 0.00 H new ATOM 0 HA THR B 50 67.331 -16.083 1.816 1.00 0.00 H new ATOM 0 HB THR B 50 66.821 -17.012 -0.432 1.00 0.00 H new ATOM 0 HG1 THR B 50 65.047 -18.510 -0.576 1.00 0.00 H new ATOM 0 HG21 THR B 50 67.179 -19.400 0.121 1.00 0.00 H new ATOM 0 HG22 THR B 50 68.174 -18.346 1.154 1.00 0.00 H new ATOM 0 HG23 THR B 50 66.690 -19.083 1.803 1.00 0.00 H new ATOM 1504 N ASN B 51 64.537 -14.756 1.857 1.00 0.00 N ATOM 1505 CA ASN B 51 63.731 -13.599 1.496 1.00 0.00 C ATOM 1506 C ASN B 51 64.137 -12.394 2.333 1.00 0.00 C ATOM 1507 O ASN B 51 64.031 -12.412 3.559 1.00 0.00 O ATOM 1508 CB ASN B 51 62.248 -13.907 1.704 1.00 0.00 C ATOM 1509 CG ASN B 51 61.403 -12.708 1.288 1.00 0.00 C ATOM 1510 OD1 ASN B 51 61.305 -11.729 2.027 1.00 0.00 O ATOM 1511 ND2 ASN B 51 60.780 -12.728 0.141 1.00 0.00 N ATOM 0 H ASN B 51 64.265 -15.208 2.730 1.00 0.00 H new ATOM 0 HA ASN B 51 63.899 -13.368 0.444 1.00 0.00 H new ATOM 0 HB2 ASN B 51 61.965 -14.782 1.120 1.00 0.00 H new ATOM 0 HB3 ASN B 51 62.062 -14.148 2.750 1.00 0.00 H new ATOM 0 HD21 ASN B 51 60.211 -11.931 -0.144 1.00 0.00 H new ATOM 0 HD22 ASN B 51 60.863 -13.540 -0.470 1.00 0.00 H new ATOM 1518 N GLU B 52 64.615 -11.353 1.664 1.00 0.00 N ATOM 1519 CA GLU B 52 65.047 -10.147 2.356 1.00 0.00 C ATOM 1520 C GLU B 52 63.884 -9.532 3.121 1.00 0.00 C ATOM 1521 O GLU B 52 64.055 -9.041 4.237 1.00 0.00 O ATOM 1522 CB GLU B 52 65.587 -9.129 1.346 1.00 0.00 C ATOM 1523 CG GLU B 52 66.911 -9.629 0.752 1.00 0.00 C ATOM 1524 CD GLU B 52 66.648 -10.688 -0.316 1.00 0.00 C ATOM 1525 OE1 GLU B 52 65.498 -10.860 -0.688 1.00 0.00 O ATOM 1526 OE2 GLU B 52 67.602 -11.316 -0.744 1.00 0.00 O ATOM 0 H GLU B 52 64.713 -11.319 0.649 1.00 0.00 H new ATOM 0 HA GLU B 52 65.836 -10.414 3.059 1.00 0.00 H new ATOM 0 HB2 GLU B 52 64.858 -8.972 0.551 1.00 0.00 H new ATOM 0 HB3 GLU B 52 65.739 -8.166 1.834 1.00 0.00 H new ATOM 0 HG2 GLU B 52 67.461 -8.794 0.318 1.00 0.00 H new ATOM 0 HG3 GLU B 52 67.536 -10.046 1.541 1.00 0.00 H new ATOM 1533 N PHE B 53 62.700 -9.558 2.520 1.00 0.00 N ATOM 1534 CA PHE B 53 61.528 -8.992 3.173 1.00 0.00 C ATOM 1535 C PHE B 53 60.801 -10.059 3.984 1.00 0.00 C ATOM 1536 O PHE B 53 59.625 -10.338 3.747 1.00 0.00 O ATOM 1537 CB PHE B 53 60.577 -8.421 2.120 1.00 0.00 C ATOM 1538 CG PHE B 53 61.326 -7.453 1.235 1.00 0.00 C ATOM 1539 CD1 PHE B 53 61.661 -7.819 -0.075 1.00 0.00 C ATOM 1540 CD2 PHE B 53 61.692 -6.194 1.725 1.00 0.00 C ATOM 1541 CE1 PHE B 53 62.361 -6.925 -0.895 1.00 0.00 C ATOM 1542 CE2 PHE B 53 62.391 -5.299 0.904 1.00 0.00 C ATOM 1543 CZ PHE B 53 62.726 -5.666 -0.405 1.00 0.00 C ATOM 0 H PHE B 53 62.528 -9.958 1.598 1.00 0.00 H new ATOM 0 HA PHE B 53 61.854 -8.198 3.845 1.00 0.00 H new ATOM 0 HB2 PHE B 53 60.156 -9.228 1.520 1.00 0.00 H new ATOM 0 HB3 PHE B 53 59.742 -7.915 2.605 1.00 0.00 H new ATOM 0 HD1 PHE B 53 61.379 -8.791 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE B 53 61.436 -5.912 2.736 1.00 0.00 H new ATOM 0 HE1 PHE B 53 62.619 -7.207 -1.905 1.00 0.00 H new ATOM 0 HE2 PHE B 53 62.671 -4.326 1.281 1.00 0.00 H new ATOM 0 HZ PHE B 53 63.266 -4.977 -1.037 1.00 0.00 H new ATOM 1553 N CYS B 54 61.505 -10.651 4.942 1.00 0.00 N ATOM 1554 CA CYS B 54 60.911 -11.684 5.781 1.00 0.00 C ATOM 1555 C CYS B 54 61.668 -11.810 7.100 1.00 0.00 C ATOM 1556 O CYS B 54 62.896 -11.734 7.131 1.00 0.00 O ATOM 1557 CB CYS B 54 60.945 -13.021 5.050 1.00 0.00 C ATOM 1558 SG CYS B 54 60.063 -14.264 6.024 1.00 0.00 S ATOM 0 H CYS B 54 62.479 -10.436 5.156 1.00 0.00 H new ATOM 0 HA CYS B 54 59.879 -11.404 5.994 1.00 0.00 H new ATOM 0 HB2 CYS B 54 60.486 -12.921 4.066 1.00 0.00 H new ATOM 0 HB3 CYS B 54 61.977 -13.334 4.890 1.00 0.00 H new ATOM 0 HG CYS B 54 60.694 -14.467 7.142 1.00 0.00 H new ATOM 1563 N ALA B 55 60.930 -12.009 8.187 1.00 0.00 N ATOM 1564 CA ALA B 55 61.546 -12.153 9.499 1.00 0.00 C ATOM 1565 C ALA B 55 62.320 -13.463 9.581 1.00 0.00 C ATOM 1566 O ALA B 55 62.134 -14.361 8.761 1.00 0.00 O ATOM 1567 CB ALA B 55 60.485 -12.119 10.597 1.00 0.00 C ATOM 0 H ALA B 55 59.912 -12.074 8.185 1.00 0.00 H new ATOM 0 HA ALA B 55 62.234 -11.320 9.643 1.00 0.00 H new ATOM 0 HB1 ALA B 55 60.964 -12.228 11.570 1.00 0.00 H new ATOM 0 HB2 ALA B 55 59.953 -11.169 10.559 1.00 0.00 H new ATOM 0 HB3 ALA B 55 59.779 -12.936 10.447 1.00 0.00 H new ATOM 1573 N SER B 56 63.189 -13.553 10.573 1.00 0.00 N ATOM 1574 CA SER B 56 64.013 -14.743 10.779 1.00 0.00 C ATOM 1575 C SER B 56 65.138 -14.800 9.753 1.00 0.00 C ATOM 1576 O SER B 56 65.720 -15.862 9.524 1.00 0.00 O ATOM 1577 CB SER B 56 63.163 -16.008 10.661 1.00 0.00 C ATOM 1578 OG SER B 56 63.713 -17.020 11.493 1.00 0.00 O ATOM 0 H SER B 56 63.347 -12.812 11.256 1.00 0.00 H new ATOM 0 HA SER B 56 64.441 -14.686 11.780 1.00 0.00 H new ATOM 0 HB2 SER B 56 62.135 -15.798 10.955 1.00 0.00 H new ATOM 0 HB3 SER B 56 63.136 -16.347 9.625 1.00 0.00 H new ATOM 0 HG SER B 56 63.170 -17.833 11.422 1.00 0.00 H new ATOM 1584 N CYS B 57 65.438 -13.657 9.138 1.00 0.00 N ATOM 1585 CA CYS B 57 66.496 -13.596 8.133 1.00 0.00 C ATOM 1586 C CYS B 57 67.628 -12.678 8.613 1.00 0.00 C ATOM 1587 O CYS B 57 67.390 -11.745 9.381 1.00 0.00 O ATOM 1588 CB CYS B 57 65.923 -13.062 6.817 1.00 0.00 C ATOM 1589 SG CYS B 57 66.503 -11.375 6.544 1.00 0.00 S ATOM 0 H CYS B 57 64.968 -12.769 9.316 1.00 0.00 H new ATOM 0 HA CYS B 57 66.895 -14.598 7.976 1.00 0.00 H new ATOM 0 HB2 CYS B 57 66.230 -13.701 5.989 1.00 0.00 H new ATOM 0 HB3 CYS B 57 64.834 -13.082 6.848 1.00 0.00 H new ATOM 0 HG CYS B 57 66.000 -10.917 5.436 1.00 0.00 H new ATOM 1595 N PRO B 58 68.844 -12.913 8.179 1.00 0.00 N ATOM 1596 CA PRO B 58 70.018 -12.074 8.583 1.00 0.00 C ATOM 1597 C PRO B 58 69.921 -10.641 8.056 1.00 0.00 C ATOM 1598 O PRO B 58 70.405 -9.705 8.691 1.00 0.00 O ATOM 1599 CB PRO B 58 71.220 -12.803 7.972 1.00 0.00 C ATOM 1600 CG PRO B 58 70.663 -13.604 6.846 1.00 0.00 C ATOM 1601 CD PRO B 58 69.247 -13.996 7.264 1.00 0.00 C ATOM 0 HA PRO B 58 70.085 -11.968 9.666 1.00 0.00 H new ATOM 0 HB2 PRO B 58 71.971 -12.096 7.618 1.00 0.00 H new ATOM 0 HB3 PRO B 58 71.707 -13.444 8.707 1.00 0.00 H new ATOM 0 HG2 PRO B 58 70.650 -13.023 5.924 1.00 0.00 H new ATOM 0 HG3 PRO B 58 71.272 -14.488 6.658 1.00 0.00 H new ATOM 0 HD2 PRO B 58 68.580 -14.064 6.405 1.00 0.00 H new ATOM 0 HD3 PRO B 58 69.229 -14.967 7.759 1.00 0.00 H new ATOM 1609 N THR B 59 69.298 -10.480 6.893 1.00 0.00 N ATOM 1610 CA THR B 59 68.924 -9.117 6.446 1.00 0.00 C ATOM 1611 C THR B 59 67.735 -8.390 7.076 1.00 0.00 C ATOM 1612 O THR B 59 67.331 -7.325 6.609 1.00 0.00 O ATOM 1613 CB THR B 59 68.712 -9.240 4.934 1.00 0.00 C ATOM 1614 OG1 THR B 59 68.232 -10.541 4.629 1.00 0.00 O ATOM 1615 CG2 THR B 59 70.040 -8.997 4.210 1.00 0.00 C ATOM 0 H THR B 59 69.044 -11.235 6.256 1.00 0.00 H new ATOM 0 HA THR B 59 69.738 -8.474 6.782 1.00 0.00 H new ATOM 0 HB THR B 59 67.982 -8.499 4.606 1.00 0.00 H new ATOM 0 HG1 THR B 59 67.673 -10.865 5.366 1.00 0.00 H new ATOM 0 HG21 THR B 59 69.889 -9.085 3.134 1.00 0.00 H new ATOM 0 HG22 THR B 59 70.405 -7.997 4.445 1.00 0.00 H new ATOM 0 HG23 THR B 59 70.772 -9.736 4.535 1.00 0.00 H new ATOM 1623 N PHE B 60 67.184 -8.974 8.137 1.00 0.00 N ATOM 1624 CA PHE B 60 65.947 -8.457 8.706 1.00 0.00 C ATOM 1625 C PHE B 60 66.268 -8.206 10.174 1.00 0.00 C ATOM 1626 O PHE B 60 66.760 -9.093 10.873 1.00 0.00 O ATOM 1627 CB PHE B 60 64.760 -9.417 8.608 1.00 0.00 C ATOM 1628 CG PHE B 60 63.584 -8.842 9.356 1.00 0.00 C ATOM 1629 CD1 PHE B 60 62.726 -7.941 8.719 1.00 0.00 C ATOM 1630 CD2 PHE B 60 63.352 -9.208 10.688 1.00 0.00 C ATOM 1631 CE1 PHE B 60 61.634 -7.404 9.409 1.00 0.00 C ATOM 1632 CE2 PHE B 60 62.260 -8.672 11.381 1.00 0.00 C ATOM 1633 CZ PHE B 60 61.401 -7.770 10.740 1.00 0.00 C ATOM 0 H PHE B 60 67.568 -9.791 8.612 1.00 0.00 H new ATOM 0 HA PHE B 60 65.639 -7.569 8.154 1.00 0.00 H new ATOM 0 HB2 PHE B 60 64.496 -9.579 7.563 1.00 0.00 H new ATOM 0 HB3 PHE B 60 65.029 -10.388 9.023 1.00 0.00 H new ATOM 0 HD1 PHE B 60 62.906 -7.659 7.692 1.00 0.00 H new ATOM 0 HD2 PHE B 60 64.015 -9.904 11.180 1.00 0.00 H new ATOM 0 HE1 PHE B 60 60.972 -6.708 8.916 1.00 0.00 H new ATOM 0 HE2 PHE B 60 62.080 -8.953 12.408 1.00 0.00 H new ATOM 0 HZ PHE B 60 60.558 -7.356 11.273 1.00 0.00 H new ATOM 1643 N LEU B 61 65.983 -6.992 10.635 1.00 0.00 N ATOM 1644 CA LEU B 61 66.243 -6.628 12.022 1.00 0.00 C ATOM 1645 C LEU B 61 64.929 -6.446 12.774 1.00 0.00 C ATOM 1646 O LEU B 61 63.942 -5.970 12.214 1.00 0.00 O ATOM 1647 CB LEU B 61 67.052 -5.330 12.074 1.00 0.00 C ATOM 1648 CG LEU B 61 68.354 -5.502 11.287 1.00 0.00 C ATOM 1649 CD1 LEU B 61 69.139 -4.189 11.306 1.00 0.00 C ATOM 1650 CD2 LEU B 61 69.205 -6.608 11.920 1.00 0.00 C ATOM 0 H LEU B 61 65.574 -6.247 10.071 1.00 0.00 H new ATOM 0 HA LEU B 61 66.813 -7.428 12.495 1.00 0.00 H new ATOM 0 HB2 LEU B 61 66.469 -4.510 11.656 1.00 0.00 H new ATOM 0 HB3 LEU B 61 67.273 -5.069 13.109 1.00 0.00 H new ATOM 0 HG LEU B 61 68.115 -5.774 10.259 1.00 0.00 H new ATOM 0 HD11 LEU B 61 70.066 -4.311 10.746 1.00 0.00 H new ATOM 0 HD12 LEU B 61 68.540 -3.401 10.850 1.00 0.00 H new ATOM 0 HD13 LEU B 61 69.371 -3.918 12.336 1.00 0.00 H new ATOM 0 HD21 LEU B 61 70.130 -6.724 11.354 1.00 0.00 H new ATOM 0 HD22 LEU B 61 69.441 -6.341 12.950 1.00 0.00 H new ATOM 0 HD23 LEU B 61 68.651 -7.546 11.906 1.00 0.00 H new ATOM 1662 N ARG B 62 64.924 -6.835 14.042 1.00 0.00 N ATOM 1663 CA ARG B 62 63.729 -6.719 14.863 1.00 0.00 C ATOM 1664 C ARG B 62 63.327 -5.258 15.011 1.00 0.00 C ATOM 1665 O ARG B 62 64.177 -4.375 15.127 1.00 0.00 O ATOM 1666 CB ARG B 62 63.991 -7.323 16.245 1.00 0.00 C ATOM 1667 CG ARG B 62 64.351 -8.810 16.115 1.00 0.00 C ATOM 1668 CD ARG B 62 63.079 -9.656 16.002 1.00 0.00 C ATOM 1669 NE ARG B 62 63.423 -11.071 15.914 1.00 0.00 N ATOM 1670 CZ ARG B 62 62.478 -12.003 15.846 1.00 0.00 C ATOM 1671 NH1 ARG B 62 61.222 -11.654 15.866 1.00 0.00 N ATOM 1672 NH2 ARG B 62 62.806 -13.264 15.760 1.00 0.00 N ATOM 0 H ARG B 62 65.732 -7.232 14.522 1.00 0.00 H new ATOM 0 HA ARG B 62 62.917 -7.260 14.378 1.00 0.00 H new ATOM 0 HB2 ARG B 62 64.803 -6.787 16.736 1.00 0.00 H new ATOM 0 HB3 ARG B 62 63.107 -7.209 16.873 1.00 0.00 H new ATOM 0 HG2 ARG B 62 64.978 -8.964 15.237 1.00 0.00 H new ATOM 0 HG3 ARG B 62 64.932 -9.128 16.981 1.00 0.00 H new ATOM 0 HD2 ARG B 62 62.440 -9.483 16.868 1.00 0.00 H new ATOM 0 HD3 ARG B 62 62.511 -9.357 15.121 1.00 0.00 H new ATOM 0 HE ARG B 62 64.404 -11.349 15.905 1.00 0.00 H new ATOM 0 HH11 ARG B 62 60.968 -10.669 15.934 1.00 0.00 H new ATOM 0 HH12 ARG B 62 60.494 -12.366 15.814 1.00 0.00 H new ATOM 0 HH21 ARG B 62 63.789 -13.535 15.745 1.00 0.00 H new ATOM 0 HH22 ARG B 62 62.079 -13.978 15.708 1.00 0.00 H new ATOM 1686 N MET B 63 62.023 -5.015 14.994 1.00 0.00 N ATOM 1687 CA MET B 63 61.503 -3.660 15.115 1.00 0.00 C ATOM 1688 C MET B 63 60.154 -3.661 15.830 1.00 0.00 C ATOM 1689 O MET B 63 59.564 -4.714 16.067 1.00 0.00 O ATOM 1690 CB MET B 63 61.358 -3.033 13.725 1.00 0.00 C ATOM 1691 CG MET B 63 60.360 -3.841 12.897 1.00 0.00 C ATOM 1692 SD MET B 63 60.320 -3.193 11.204 1.00 0.00 S ATOM 1693 CE MET B 63 61.988 -3.692 10.705 1.00 0.00 C ATOM 0 H MET B 63 61.308 -5.736 14.898 1.00 0.00 H new ATOM 0 HA MET B 63 62.205 -3.071 15.705 1.00 0.00 H new ATOM 0 HB2 MET B 63 61.019 -2.001 13.815 1.00 0.00 H new ATOM 0 HB3 MET B 63 62.326 -3.009 13.224 1.00 0.00 H new ATOM 0 HG2 MET B 63 60.645 -4.893 12.889 1.00 0.00 H new ATOM 0 HG3 MET B 63 59.368 -3.783 13.344 1.00 0.00 H new ATOM 0 HE1 MET B 63 62.031 -3.783 9.620 1.00 0.00 H new ATOM 0 HE2 MET B 63 62.706 -2.942 11.035 1.00 0.00 H new ATOM 0 HE3 MET B 63 62.232 -4.652 11.159 1.00 0.00 H new ATOM 1703 N ASP B 64 59.684 -2.469 16.177 1.00 0.00 N ATOM 1704 CA ASP B 64 58.416 -2.318 16.873 1.00 0.00 C ATOM 1705 C ASP B 64 57.257 -2.568 15.924 1.00 0.00 C ATOM 1706 O ASP B 64 57.425 -2.559 14.705 1.00 0.00 O ATOM 1707 CB ASP B 64 58.304 -0.911 17.469 1.00 0.00 C ATOM 1708 CG ASP B 64 59.270 -0.766 18.642 1.00 0.00 C ATOM 1709 OD1 ASP B 64 59.781 -1.779 19.093 1.00 0.00 O ATOM 1710 OD2 ASP B 64 59.486 0.356 19.071 1.00 0.00 O ATOM 0 H ASP B 64 60.166 -1.590 15.986 1.00 0.00 H new ATOM 0 HA ASP B 64 58.376 -3.051 17.679 1.00 0.00 H new ATOM 0 HB2 ASP B 64 58.529 -0.165 16.707 1.00 0.00 H new ATOM 0 HB3 ASP B 64 57.283 -0.728 17.803 1.00 0.00 H new ATOM 1715 N ASN B 65 56.083 -2.800 16.491 1.00 0.00 N ATOM 1716 CA ASN B 65 54.900 -3.062 15.687 1.00 0.00 C ATOM 1717 C ASN B 65 54.598 -1.879 14.782 1.00 0.00 C ATOM 1718 O ASN B 65 54.223 -2.051 13.623 1.00 0.00 O ATOM 1719 CB ASN B 65 53.696 -3.325 16.593 1.00 0.00 C ATOM 1720 CG ASN B 65 53.837 -4.681 17.277 1.00 0.00 C ATOM 1721 OD1 ASN B 65 54.628 -5.519 16.843 1.00 0.00 O ATOM 1722 ND2 ASN B 65 53.105 -4.949 18.321 1.00 0.00 N ATOM 0 H ASN B 65 55.925 -2.812 17.499 1.00 0.00 H new ATOM 0 HA ASN B 65 55.093 -3.941 15.072 1.00 0.00 H new ATOM 0 HB2 ASN B 65 53.617 -2.538 17.343 1.00 0.00 H new ATOM 0 HB3 ASN B 65 52.778 -3.299 16.006 1.00 0.00 H new ATOM 0 HD21 ASN B 65 53.186 -5.855 18.782 1.00 0.00 H new ATOM 0 HD22 ASN B 65 52.451 -4.252 18.678 1.00 0.00 H new ATOM 1729 N ASN B 66 54.768 -0.678 15.314 1.00 0.00 N ATOM 1730 CA ASN B 66 54.513 0.525 14.539 1.00 0.00 C ATOM 1731 C ASN B 66 55.447 0.587 13.336 1.00 0.00 C ATOM 1732 O ASN B 66 55.008 0.786 12.202 1.00 0.00 O ATOM 1733 CB ASN B 66 54.713 1.759 15.425 1.00 0.00 C ATOM 1734 CG ASN B 66 55.971 1.603 16.281 1.00 0.00 C ATOM 1735 OD1 ASN B 66 57.086 1.744 15.782 1.00 0.00 O ATOM 1736 ND2 ASN B 66 55.856 1.312 17.548 1.00 0.00 N ATOM 0 H ASN B 66 55.079 -0.512 16.271 1.00 0.00 H new ATOM 0 HA ASN B 66 53.485 0.504 14.178 1.00 0.00 H new ATOM 0 HB2 ASN B 66 54.796 2.651 14.804 1.00 0.00 H new ATOM 0 HB3 ASN B 66 53.843 1.898 16.067 1.00 0.00 H new ATOM 0 HD21 ASN B 66 56.691 1.202 18.124 1.00 0.00 H new ATOM 0 HD22 ASN B 66 54.931 1.195 17.963 1.00 0.00 H new ATOM 1743 N ALA B 67 56.734 0.398 13.587 1.00 0.00 N ATOM 1744 CA ALA B 67 57.717 0.426 12.515 1.00 0.00 C ATOM 1745 C ALA B 67 57.460 -0.707 11.531 1.00 0.00 C ATOM 1746 O ALA B 67 57.552 -0.523 10.317 1.00 0.00 O ATOM 1747 CB ALA B 67 59.124 0.301 13.098 1.00 0.00 C ATOM 0 H ALA B 67 57.119 0.225 14.515 1.00 0.00 H new ATOM 0 HA ALA B 67 57.631 1.375 11.985 1.00 0.00 H new ATOM 0 HB1 ALA B 67 59.856 0.323 12.290 1.00 0.00 H new ATOM 0 HB2 ALA B 67 59.311 1.131 13.779 1.00 0.00 H new ATOM 0 HB3 ALA B 67 59.211 -0.640 13.641 1.00 0.00 H new ATOM 1753 N ALA B 68 57.129 -1.878 12.063 1.00 0.00 N ATOM 1754 CA ALA B 68 56.854 -3.030 11.222 1.00 0.00 C ATOM 1755 C ALA B 68 55.644 -2.760 10.333 1.00 0.00 C ATOM 1756 O ALA B 68 55.620 -3.151 9.165 1.00 0.00 O ATOM 1757 CB ALA B 68 56.607 -4.256 12.099 1.00 0.00 C ATOM 0 H ALA B 68 57.046 -2.051 13.065 1.00 0.00 H new ATOM 0 HA ALA B 68 57.715 -3.218 10.581 1.00 0.00 H new ATOM 0 HB1 ALA B 68 56.401 -5.120 11.467 1.00 0.00 H new ATOM 0 HB2 ALA B 68 57.491 -4.453 12.706 1.00 0.00 H new ATOM 0 HB3 ALA B 68 55.753 -4.071 12.751 1.00 0.00 H new ATOM 1763 N ALA B 69 54.640 -2.089 10.890 1.00 0.00 N ATOM 1764 CA ALA B 69 53.435 -1.775 10.133 1.00 0.00 C ATOM 1765 C ALA B 69 53.771 -0.921 8.915 1.00 0.00 C ATOM 1766 O ALA B 69 53.227 -1.131 7.831 1.00 0.00 O ATOM 1767 CB ALA B 69 52.449 -1.020 11.023 1.00 0.00 C ATOM 0 H ALA B 69 54.637 -1.755 11.854 1.00 0.00 H new ATOM 0 HA ALA B 69 52.987 -2.710 9.795 1.00 0.00 H new ATOM 0 HB1 ALA B 69 51.549 -0.787 10.453 1.00 0.00 H new ATOM 0 HB2 ALA B 69 52.185 -1.639 11.881 1.00 0.00 H new ATOM 0 HB3 ALA B 69 52.908 -0.095 11.371 1.00 0.00 H new ATOM 1773 N ILE B 70 54.666 0.041 9.096 1.00 0.00 N ATOM 1774 CA ILE B 70 55.060 0.917 7.995 1.00 0.00 C ATOM 1775 C ILE B 70 55.748 0.116 6.899 1.00 0.00 C ATOM 1776 O ILE B 70 55.463 0.295 5.715 1.00 0.00 O ATOM 1777 CB ILE B 70 56.014 2.005 8.503 1.00 0.00 C ATOM 1778 CG1 ILE B 70 55.310 2.868 9.563 1.00 0.00 C ATOM 1779 CG2 ILE B 70 56.482 2.881 7.336 1.00 0.00 C ATOM 1780 CD1 ILE B 70 54.022 3.475 9.001 1.00 0.00 C ATOM 0 H ILE B 70 55.130 0.235 9.983 1.00 0.00 H new ATOM 0 HA ILE B 70 54.162 1.382 7.588 1.00 0.00 H new ATOM 0 HB ILE B 70 56.884 1.529 8.956 1.00 0.00 H new ATOM 0 HG12 ILE B 70 55.080 2.261 10.438 1.00 0.00 H new ATOM 0 HG13 ILE B 70 55.978 3.663 9.894 1.00 0.00 H new ATOM 0 HG21 ILE B 70 57.159 3.650 7.707 1.00 0.00 H new ATOM 0 HG22 ILE B 70 57.001 2.264 6.603 1.00 0.00 H new ATOM 0 HG23 ILE B 70 55.619 3.353 6.866 1.00 0.00 H new ATOM 0 HD11 ILE B 70 53.541 4.082 9.768 1.00 0.00 H new ATOM 0 HD12 ILE B 70 54.260 4.100 8.140 1.00 0.00 H new ATOM 0 HD13 ILE B 70 53.347 2.676 8.694 1.00 0.00 H new ATOM 1792 N LYS B 71 56.655 -0.770 7.294 1.00 0.00 N ATOM 1793 CA LYS B 71 57.368 -1.586 6.329 1.00 0.00 C ATOM 1794 C LYS B 71 56.373 -2.455 5.569 1.00 0.00 C ATOM 1795 O LYS B 71 56.464 -2.606 4.352 1.00 0.00 O ATOM 1796 CB LYS B 71 58.386 -2.470 7.056 1.00 0.00 C ATOM 1797 CG LYS B 71 59.321 -3.143 6.049 1.00 0.00 C ATOM 1798 CD LYS B 71 60.459 -2.188 5.672 1.00 0.00 C ATOM 1799 CE LYS B 71 61.416 -2.901 4.723 1.00 0.00 C ATOM 1800 NZ LYS B 71 62.510 -1.972 4.326 1.00 0.00 N ATOM 0 H LYS B 71 56.910 -0.938 8.267 1.00 0.00 H new ATOM 0 HA LYS B 71 57.895 -0.943 5.624 1.00 0.00 H new ATOM 0 HB2 LYS B 71 58.966 -1.868 7.755 1.00 0.00 H new ATOM 0 HB3 LYS B 71 57.866 -3.228 7.643 1.00 0.00 H new ATOM 0 HG2 LYS B 71 59.730 -4.059 6.476 1.00 0.00 H new ATOM 0 HG3 LYS B 71 58.764 -3.428 5.157 1.00 0.00 H new ATOM 0 HD2 LYS B 71 60.057 -1.293 5.198 1.00 0.00 H new ATOM 0 HD3 LYS B 71 60.990 -1.864 6.567 1.00 0.00 H new ATOM 0 HE2 LYS B 71 61.833 -3.784 5.207 1.00 0.00 H new ATOM 0 HE3 LYS B 71 60.879 -3.245 3.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 63.162 -2.460 3.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 62.104 -1.142 3.848 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 63.029 -1.665 5.173 1.00 0.00 H new ATOM 1814 N ALA B 72 55.413 -3.014 6.299 1.00 0.00 N ATOM 1815 CA ALA B 72 54.397 -3.853 5.680 1.00 0.00 C ATOM 1816 C ALA B 72 53.587 -3.049 4.666 1.00 0.00 C ATOM 1817 O ALA B 72 53.273 -3.542 3.582 1.00 0.00 O ATOM 1818 CB ALA B 72 53.457 -4.419 6.744 1.00 0.00 C ATOM 0 H ALA B 72 55.319 -2.902 7.308 1.00 0.00 H new ATOM 0 HA ALA B 72 54.899 -4.674 5.168 1.00 0.00 H new ATOM 0 HB1 ALA B 72 52.702 -5.044 6.267 1.00 0.00 H new ATOM 0 HB2 ALA B 72 54.029 -5.017 7.453 1.00 0.00 H new ATOM 0 HB3 ALA B 72 52.969 -3.599 7.271 1.00 0.00 H new ATOM 1824 N LEU B 73 53.252 -1.807 5.017 1.00 0.00 N ATOM 1825 CA LEU B 73 52.478 -0.964 4.112 1.00 0.00 C ATOM 1826 C LEU B 73 53.263 -0.713 2.825 1.00 0.00 C ATOM 1827 O LEU B 73 52.711 -0.772 1.727 1.00 0.00 O ATOM 1828 CB LEU B 73 52.155 0.370 4.796 1.00 0.00 C ATOM 1829 CG LEU B 73 51.334 1.265 3.859 1.00 0.00 C ATOM 1830 CD1 LEU B 73 50.006 0.583 3.517 1.00 0.00 C ATOM 1831 CD2 LEU B 73 51.051 2.597 4.558 1.00 0.00 C ATOM 0 H LEU B 73 53.500 -1.371 5.905 1.00 0.00 H new ATOM 0 HA LEU B 73 51.547 -1.473 3.862 1.00 0.00 H new ATOM 0 HB2 LEU B 73 51.599 0.189 5.716 1.00 0.00 H new ATOM 0 HB3 LEU B 73 53.079 0.876 5.076 1.00 0.00 H new ATOM 0 HG LEU B 73 51.896 1.437 2.941 1.00 0.00 H new ATOM 0 HD11 LEU B 73 49.428 1.224 2.851 1.00 0.00 H new ATOM 0 HD12 LEU B 73 50.202 -0.369 3.024 1.00 0.00 H new ATOM 0 HD13 LEU B 73 49.441 0.407 4.432 1.00 0.00 H new ATOM 0 HD21 LEU B 73 50.468 3.238 3.897 1.00 0.00 H new ATOM 0 HD22 LEU B 73 50.490 2.415 5.475 1.00 0.00 H new ATOM 0 HD23 LEU B 73 51.993 3.088 4.801 1.00 0.00 H new ATOM 1843 N GLU B 74 54.551 -0.427 2.971 1.00 0.00 N ATOM 1844 CA GLU B 74 55.401 -0.161 1.814 1.00 0.00 C ATOM 1845 C GLU B 74 55.479 -1.384 0.908 1.00 0.00 C ATOM 1846 O GLU B 74 55.463 -1.252 -0.312 1.00 0.00 O ATOM 1847 CB GLU B 74 56.806 0.226 2.279 1.00 0.00 C ATOM 1848 CG GLU B 74 56.766 1.604 2.939 1.00 0.00 C ATOM 1849 CD GLU B 74 58.128 1.933 3.540 1.00 0.00 C ATOM 1850 OE1 GLU B 74 58.964 1.046 3.586 1.00 0.00 O ATOM 1851 OE2 GLU B 74 58.316 3.068 3.951 1.00 0.00 O ATOM 0 H GLU B 74 55.028 -0.373 3.871 1.00 0.00 H new ATOM 0 HA GLU B 74 54.965 0.663 1.249 1.00 0.00 H new ATOM 0 HB2 GLU B 74 57.184 -0.515 2.983 1.00 0.00 H new ATOM 0 HB3 GLU B 74 57.490 0.238 1.431 1.00 0.00 H new ATOM 0 HG2 GLU B 74 56.491 2.361 2.204 1.00 0.00 H new ATOM 0 HG3 GLU B 74 56.002 1.622 3.716 1.00 0.00 H new ATOM 1858 N LEU B 75 55.558 -2.571 1.512 1.00 0.00 N ATOM 1859 CA LEU B 75 55.635 -3.817 0.745 1.00 0.00 C ATOM 1860 C LEU B 75 54.396 -3.982 -0.124 1.00 0.00 C ATOM 1861 O LEU B 75 54.487 -4.386 -1.283 1.00 0.00 O ATOM 1862 CB LEU B 75 55.754 -5.000 1.709 1.00 0.00 C ATOM 1863 CG LEU B 75 57.159 -5.028 2.326 1.00 0.00 C ATOM 1864 CD1 LEU B 75 57.128 -5.809 3.641 1.00 0.00 C ATOM 1865 CD2 LEU B 75 58.138 -5.734 1.382 1.00 0.00 C ATOM 0 H LEU B 75 55.570 -2.696 2.524 1.00 0.00 H new ATOM 0 HA LEU B 75 56.511 -3.783 0.098 1.00 0.00 H new ATOM 0 HB2 LEU B 75 55.003 -4.918 2.495 1.00 0.00 H new ATOM 0 HB3 LEU B 75 55.560 -5.933 1.180 1.00 0.00 H new ATOM 0 HG LEU B 75 57.479 -4.000 2.497 1.00 0.00 H new ATOM 0 HD11 LEU B 75 58.127 -5.827 4.077 1.00 0.00 H new ATOM 0 HD12 LEU B 75 56.438 -5.327 4.334 1.00 0.00 H new ATOM 0 HD13 LEU B 75 56.797 -6.830 3.450 1.00 0.00 H new ATOM 0 HD21 LEU B 75 59.131 -5.747 1.831 1.00 0.00 H new ATOM 0 HD22 LEU B 75 57.804 -6.757 1.210 1.00 0.00 H new ATOM 0 HD23 LEU B 75 58.176 -5.200 0.432 1.00 0.00 H new ATOM 1877 N TYR B 76 53.242 -3.646 0.434 1.00 0.00 N ATOM 1878 CA TYR B 76 51.992 -3.741 -0.306 1.00 0.00 C ATOM 1879 C TYR B 76 52.049 -2.846 -1.539 1.00 0.00 C ATOM 1880 O TYR B 76 51.653 -3.246 -2.630 1.00 0.00 O ATOM 1881 CB TYR B 76 50.814 -3.341 0.581 1.00 0.00 C ATOM 1882 CG TYR B 76 49.554 -3.314 -0.249 1.00 0.00 C ATOM 1883 CD1 TYR B 76 48.937 -4.513 -0.634 1.00 0.00 C ATOM 1884 CD2 TYR B 76 49.003 -2.088 -0.634 1.00 0.00 C ATOM 1885 CE1 TYR B 76 47.769 -4.481 -1.407 1.00 0.00 C ATOM 1886 CE2 TYR B 76 47.835 -2.056 -1.405 1.00 0.00 C ATOM 1887 CZ TYR B 76 47.219 -3.253 -1.791 1.00 0.00 C ATOM 1888 OH TYR B 76 46.067 -3.220 -2.552 1.00 0.00 O ATOM 0 H TYR B 76 53.145 -3.307 1.391 1.00 0.00 H new ATOM 0 HA TYR B 76 51.851 -4.774 -0.623 1.00 0.00 H new ATOM 0 HB2 TYR B 76 50.707 -4.048 1.404 1.00 0.00 H new ATOM 0 HB3 TYR B 76 50.993 -2.361 1.024 1.00 0.00 H new ATOM 0 HD1 TYR B 76 49.362 -5.460 -0.335 1.00 0.00 H new ATOM 0 HD2 TYR B 76 49.479 -1.165 -0.336 1.00 0.00 H new ATOM 0 HE1 TYR B 76 47.294 -5.403 -1.706 1.00 0.00 H new ATOM 0 HE2 TYR B 76 47.409 -1.109 -1.702 1.00 0.00 H new ATOM 0 HH TYR B 76 45.518 -4.006 -2.349 1.00 0.00 H new ATOM 1898 N LYS B 77 52.543 -1.629 -1.352 1.00 0.00 N ATOM 1899 CA LYS B 77 52.644 -0.677 -2.452 1.00 0.00 C ATOM 1900 C LYS B 77 53.460 -1.267 -3.603 1.00 0.00 C ATOM 1901 O LYS B 77 53.067 -1.160 -4.766 1.00 0.00 O ATOM 1902 CB LYS B 77 53.310 0.611 -1.953 1.00 0.00 C ATOM 1903 CG LYS B 77 53.425 1.603 -3.110 1.00 0.00 C ATOM 1904 CD LYS B 77 53.884 2.967 -2.587 1.00 0.00 C ATOM 1905 CE LYS B 77 52.664 3.804 -2.194 1.00 0.00 C ATOM 1906 NZ LYS B 77 51.853 4.101 -3.410 1.00 0.00 N ATOM 0 H LYS B 77 52.878 -1.279 -0.455 1.00 0.00 H new ATOM 0 HA LYS B 77 51.641 -0.455 -2.817 1.00 0.00 H new ATOM 0 HB2 LYS B 77 52.725 1.046 -1.143 1.00 0.00 H new ATOM 0 HB3 LYS B 77 54.298 0.390 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS B 77 54.134 1.231 -3.850 1.00 0.00 H new ATOM 0 HG3 LYS B 77 52.463 1.702 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS B 77 54.540 2.836 -1.726 1.00 0.00 H new ATOM 0 HD3 LYS B 77 54.462 3.485 -3.352 1.00 0.00 H new ATOM 0 HE2 LYS B 77 52.060 3.266 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS B 77 52.984 4.733 -1.721 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 51.315 4.979 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 52.484 4.215 -4.229 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 51.193 3.317 -3.588 1.00 0.00 H new ATOM 1920 N ILE B 78 54.584 -1.894 -3.278 1.00 0.00 N ATOM 1921 CA ILE B 78 55.434 -2.505 -4.300 1.00 0.00 C ATOM 1922 C ILE B 78 54.964 -3.916 -4.619 1.00 0.00 C ATOM 1923 O ILE B 78 55.529 -4.592 -5.479 1.00 0.00 O ATOM 1924 CB ILE B 78 56.884 -2.534 -3.822 1.00 0.00 C ATOM 1925 CG1 ILE B 78 56.962 -3.256 -2.487 1.00 0.00 C ATOM 1926 CG2 ILE B 78 57.388 -1.106 -3.641 1.00 0.00 C ATOM 1927 CD1 ILE B 78 58.424 -3.412 -2.069 1.00 0.00 C ATOM 0 H ILE B 78 54.929 -1.994 -2.323 1.00 0.00 H new ATOM 0 HA ILE B 78 55.367 -1.906 -5.208 1.00 0.00 H new ATOM 0 HB ILE B 78 57.496 -3.052 -4.560 1.00 0.00 H new ATOM 0 HG12 ILE B 78 56.415 -2.697 -1.728 1.00 0.00 H new ATOM 0 HG13 ILE B 78 56.490 -4.235 -2.564 1.00 0.00 H new ATOM 0 HG21 ILE B 78 58.423 -1.126 -3.300 1.00 0.00 H new ATOM 0 HG22 ILE B 78 57.330 -0.576 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE B 78 56.772 -0.594 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE B 78 58.475 -3.930 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE B 78 58.958 -3.990 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE B 78 58.882 -2.428 -1.974 1.00 0.00 H new ATOM 1939 N ASN B 79 53.929 -4.356 -3.920 1.00 0.00 N ATOM 1940 CA ASN B 79 53.393 -5.688 -4.133 1.00 0.00 C ATOM 1941 C ASN B 79 54.496 -6.731 -3.986 1.00 0.00 C ATOM 1942 O ASN B 79 54.560 -7.693 -4.750 1.00 0.00 O ATOM 1943 CB ASN B 79 52.773 -5.789 -5.528 1.00 0.00 C ATOM 1944 CG ASN B 79 51.811 -6.970 -5.584 1.00 0.00 C ATOM 1945 OD1 ASN B 79 51.113 -7.249 -4.610 1.00 0.00 O ATOM 1946 ND2 ASN B 79 51.731 -7.686 -6.673 1.00 0.00 N ATOM 0 H ASN B 79 53.447 -3.812 -3.204 1.00 0.00 H new ATOM 0 HA ASN B 79 52.623 -5.876 -3.384 1.00 0.00 H new ATOM 0 HB2 ASN B 79 52.244 -4.867 -5.768 1.00 0.00 H new ATOM 0 HB3 ASN B 79 53.557 -5.911 -6.276 1.00 0.00 H new ATOM 0 HD21 ASN B 79 51.089 -8.478 -6.717 1.00 0.00 H new ATOM 0 HD22 ASN B 79 52.310 -7.454 -7.480 1.00 0.00 H new ATOM 1953 N ALA B 80 55.366 -6.530 -2.998 1.00 0.00 N ATOM 1954 CA ALA B 80 56.462 -7.462 -2.766 1.00 0.00 C ATOM 1955 C ALA B 80 55.929 -8.883 -2.629 1.00 0.00 C ATOM 1956 O ALA B 80 54.869 -9.109 -2.045 1.00 0.00 O ATOM 1957 CB ALA B 80 57.211 -7.080 -1.489 1.00 0.00 C ATOM 0 H ALA B 80 55.333 -5.740 -2.354 1.00 0.00 H new ATOM 0 HA ALA B 80 57.142 -7.414 -3.617 1.00 0.00 H new ATOM 0 HB1 ALA B 80 58.028 -7.782 -1.323 1.00 0.00 H new ATOM 0 HB2 ALA B 80 57.613 -6.072 -1.591 1.00 0.00 H new ATOM 0 HB3 ALA B 80 56.526 -7.114 -0.642 1.00 0.00 H new ATOM 1963 N LYS B 81 56.669 -9.834 -3.185 1.00 0.00 N ATOM 1964 CA LYS B 81 56.270 -11.235 -3.140 1.00 0.00 C ATOM 1965 C LYS B 81 56.458 -11.809 -1.740 1.00 0.00 C ATOM 1966 O LYS B 81 57.402 -11.458 -1.034 1.00 0.00 O ATOM 1967 CB LYS B 81 57.100 -12.044 -4.138 1.00 0.00 C ATOM 1968 CG LYS B 81 56.811 -11.553 -5.560 1.00 0.00 C ATOM 1969 CD LYS B 81 57.636 -12.372 -6.558 1.00 0.00 C ATOM 1970 CE LYS B 81 57.400 -11.847 -7.977 1.00 0.00 C ATOM 1971 NZ LYS B 81 55.966 -12.027 -8.343 1.00 0.00 N ATOM 0 H LYS B 81 57.548 -9.661 -3.672 1.00 0.00 H new ATOM 0 HA LYS B 81 55.214 -11.298 -3.404 1.00 0.00 H new ATOM 0 HB2 LYS B 81 58.162 -11.938 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS B 81 56.860 -13.104 -4.052 1.00 0.00 H new ATOM 0 HG2 LYS B 81 55.748 -11.652 -5.782 1.00 0.00 H new ATOM 0 HG3 LYS B 81 57.058 -10.495 -5.649 1.00 0.00 H new ATOM 0 HD2 LYS B 81 58.695 -12.308 -6.308 1.00 0.00 H new ATOM 0 HD3 LYS B 81 57.357 -13.424 -6.498 1.00 0.00 H new ATOM 0 HE2 LYS B 81 57.672 -10.793 -8.036 1.00 0.00 H new ATOM 0 HE3 LYS B 81 58.036 -12.380 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 55.861 -11.964 -9.376 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 55.639 -12.959 -8.018 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 55.396 -11.283 -7.891 1.00 0.00 H new ATOM 1985 N LEU B 82 55.549 -12.696 -1.353 1.00 0.00 N ATOM 1986 CA LEU B 82 55.610 -13.325 -0.037 1.00 0.00 C ATOM 1987 C LEU B 82 56.718 -14.365 0.020 1.00 0.00 C ATOM 1988 O LEU B 82 57.093 -14.950 -0.997 1.00 0.00 O ATOM 1989 CB LEU B 82 54.270 -13.984 0.292 1.00 0.00 C ATOM 1990 CG LEU B 82 53.212 -12.901 0.525 1.00 0.00 C ATOM 1991 CD1 LEU B 82 51.829 -13.546 0.599 1.00 0.00 C ATOM 1992 CD2 LEU B 82 53.486 -12.154 1.837 1.00 0.00 C ATOM 0 H LEU B 82 54.763 -12.996 -1.929 1.00 0.00 H new ATOM 0 HA LEU B 82 55.825 -12.550 0.698 1.00 0.00 H new ATOM 0 HB2 LEU B 82 53.963 -14.637 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU B 82 54.368 -14.609 1.180 1.00 0.00 H new ATOM 0 HG LEU B 82 53.252 -12.193 -0.303 1.00 0.00 H new ATOM 0 HD11 LEU B 82 51.076 -12.775 0.765 1.00 0.00 H new ATOM 0 HD12 LEU B 82 51.618 -14.063 -0.337 1.00 0.00 H new ATOM 0 HD13 LEU B 82 51.804 -14.260 1.422 1.00 0.00 H new ATOM 0 HD21 LEU B 82 52.724 -11.389 1.986 1.00 0.00 H new ATOM 0 HD22 LEU B 82 53.460 -12.858 2.669 1.00 0.00 H new ATOM 0 HD23 LEU B 82 54.468 -11.684 1.790 1.00 0.00 H new