USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 57 CYS SG : rot -165:sc= -5.17 USER MOD Set 1.2: B 59 THR OG1 : rot -42:sc= 0.911 USER MOD Set 2.1: B 44 CYS SG : rot -90:sc= 0.273 USER MOD Set 2.2: B 49 CYS SG : rot 160:sc= 0.64 USER MOD Set 2.3: B 54 CYS SG : rot -64:sc= 0.615 USER MOD Set 3.1: B 37 TYR OH : rot -89:sc= -0.174 USER MOD Set 3.2: B 65 ASN : amide:sc= -1.2 K(o=-1.4,f=-2.5!) USER MOD Single : A 329 MET CE :methyl 165:sc= -0.0328 (180deg=-0.195) USER MOD Single : A 330 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.8!) USER MOD Single : A 336 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 337 SER OG : rot 73:sc= 0.0206 USER MOD Single : A 341 ASN : amide:sc= -2! C(o=-2!,f=-4.2!) USER MOD Single : A 348 ASN : amide:sc= -0.057 K(o=-0.057,f=-2!) USER MOD Single : A 349 ASN : amide:sc= -1.44 X(o=-1.4,f=-1.2) USER MOD Single : A 354 ASN : amide:sc= -0.0427 K(o=-0.043,f=-2!) USER MOD Single : A 356 MET CE :methyl -139:sc= -0.216 (180deg=-0.524) USER MOD Single : A 358 SER OG : rot 78:sc= 0.0456 USER MOD Single : B 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.149) USER MOD Single : B 30 LYS NZ :NH3+ -160:sc= -0.0586 (180deg=-0.47) USER MOD Single : B 31 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.2!) USER MOD Single : B 36 TYR OH : rot 151:sc= 1.13 USER MOD Single : B 38 HIS : no HE2:sc= 0.854 K(o=0.85,f=-2.7!) USER MOD Single : B 39 GLN : amide:sc= -2.03 K(o=-2,f=-4!) USER MOD Single : B 41 THR OG1 : rot -7:sc= -0.0835 USER MOD Single : B 46 ASN : amide:sc= -0.0427 K(o=-0.043,f=-1.8!) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -1.03 K(o=-1,f=-12!) USER MOD Single : B 56 SER OG : rot -125:sc= 0.591 USER MOD Single : B 63 MET CE :methyl -130:sc= 0 (180deg=-0.997) USER MOD Single : B 66 ASN : amide:sc= -1.12 K(o=-1.1,f=-9.2!) USER MOD Single : B 71 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.213) USER MOD Single : B 76 TYR OH : rot 0:sc= -0.577 USER MOD Single : B 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 79 ASN : amide:sc= -1.28 K(o=-1.3,f=-3!) USER MOD Single : B 81 LYS NZ :NH3+ -165:sc=-0.00872 (180deg=-0.357) USER MOD ----------------------------------------------------------------- ATOM 299 N ASP A 327 42.949 2.053 -7.086 1.00 0.00 N ATOM 300 CA ASP A 327 44.112 2.460 -6.307 1.00 0.00 C ATOM 301 C ASP A 327 43.742 2.591 -4.833 1.00 0.00 C ATOM 302 O ASP A 327 42.938 3.442 -4.456 1.00 0.00 O ATOM 303 CB ASP A 327 44.639 3.799 -6.825 1.00 0.00 C ATOM 304 CG ASP A 327 45.307 3.610 -8.183 1.00 0.00 C ATOM 305 OD1 ASP A 327 45.553 2.472 -8.546 1.00 0.00 O ATOM 306 OD2 ASP A 327 45.557 4.606 -8.842 1.00 0.00 O ATOM 0 HA ASP A 327 44.887 1.700 -6.411 1.00 0.00 H new ATOM 0 HB2 ASP A 327 43.819 4.513 -6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 327 45.353 4.217 -6.115 1.00 0.00 H new ATOM 311 N VAL A 328 44.333 1.739 -4.006 1.00 0.00 N ATOM 312 CA VAL A 328 44.061 1.757 -2.573 1.00 0.00 C ATOM 313 C VAL A 328 44.555 3.062 -1.952 1.00 0.00 C ATOM 314 O VAL A 328 43.997 3.545 -0.969 1.00 0.00 O ATOM 315 CB VAL A 328 44.736 0.569 -1.892 1.00 0.00 C ATOM 316 CG1 VAL A 328 44.483 0.633 -0.385 1.00 0.00 C ATOM 317 CG2 VAL A 328 44.166 -0.734 -2.452 1.00 0.00 C ATOM 0 H VAL A 328 45.002 1.028 -4.301 1.00 0.00 H new ATOM 0 HA VAL A 328 42.983 1.685 -2.426 1.00 0.00 H new ATOM 0 HB VAL A 328 45.809 0.605 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 328 44.965 -0.215 0.101 1.00 0.00 H new ATOM 0 HG12 VAL A 328 44.893 1.561 0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 328 43.410 0.599 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 328 44.649 -1.581 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 328 43.093 -0.771 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 328 44.349 -0.780 -3.525 1.00 0.00 H new ATOM 327 N MET A 329 45.615 3.620 -2.526 1.00 0.00 N ATOM 328 CA MET A 329 46.185 4.861 -2.013 1.00 0.00 C ATOM 329 C MET A 329 45.146 5.975 -2.039 1.00 0.00 C ATOM 330 O MET A 329 45.212 6.915 -1.245 1.00 0.00 O ATOM 331 CB MET A 329 47.394 5.267 -2.859 1.00 0.00 C ATOM 332 CG MET A 329 48.557 4.313 -2.580 1.00 0.00 C ATOM 333 SD MET A 329 49.175 4.587 -0.899 1.00 0.00 S ATOM 334 CE MET A 329 50.195 3.099 -0.786 1.00 0.00 C ATOM 0 H MET A 329 46.094 3.237 -3.341 1.00 0.00 H new ATOM 0 HA MET A 329 46.501 4.698 -0.983 1.00 0.00 H new ATOM 0 HB2 MET A 329 47.135 5.242 -3.918 1.00 0.00 H new ATOM 0 HB3 MET A 329 47.686 6.291 -2.627 1.00 0.00 H new ATOM 0 HG2 MET A 329 48.229 3.280 -2.694 1.00 0.00 H new ATOM 0 HG3 MET A 329 49.356 4.476 -3.303 1.00 0.00 H new ATOM 0 HE1 MET A 329 50.878 3.189 0.059 1.00 0.00 H new ATOM 0 HE2 MET A 329 49.554 2.229 -0.644 1.00 0.00 H new ATOM 0 HE3 MET A 329 50.769 2.981 -1.705 1.00 0.00 H new ATOM 344 N GLN A 330 44.180 5.859 -2.941 1.00 0.00 N ATOM 345 CA GLN A 330 43.123 6.857 -3.049 1.00 0.00 C ATOM 346 C GLN A 330 42.174 6.764 -1.859 1.00 0.00 C ATOM 347 O GLN A 330 41.282 7.596 -1.704 1.00 0.00 O ATOM 348 CB GLN A 330 42.340 6.660 -4.346 1.00 0.00 C ATOM 349 CG GLN A 330 43.214 7.055 -5.537 1.00 0.00 C ATOM 350 CD GLN A 330 42.511 6.696 -6.841 1.00 0.00 C ATOM 351 OE1 GLN A 330 41.737 5.740 -6.887 1.00 0.00 O ATOM 352 NE2 GLN A 330 42.738 7.407 -7.910 1.00 0.00 N ATOM 0 H GLN A 330 44.106 5.088 -3.605 1.00 0.00 H new ATOM 0 HA GLN A 330 43.585 7.844 -3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 330 42.028 5.620 -4.440 1.00 0.00 H new ATOM 0 HB3 GLN A 330 41.433 7.265 -4.331 1.00 0.00 H new ATOM 0 HG2 GLN A 330 43.420 8.125 -5.508 1.00 0.00 H new ATOM 0 HG3 GLN A 330 44.175 6.543 -5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 330 43.380 8.199 -7.869 1.00 0.00 H new ATOM 0 HE22 GLN A 330 42.274 7.172 -8.787 1.00 0.00 H new ATOM 361 N ASP A 331 42.378 5.750 -1.018 1.00 0.00 N ATOM 362 CA ASP A 331 41.538 5.560 0.161 1.00 0.00 C ATOM 363 C ASP A 331 42.404 5.481 1.419 1.00 0.00 C ATOM 364 O ASP A 331 42.513 4.428 2.060 1.00 0.00 O ATOM 365 CB ASP A 331 40.725 4.280 0.024 1.00 0.00 C ATOM 366 CG ASP A 331 39.862 4.349 -1.231 1.00 0.00 C ATOM 367 OD1 ASP A 331 39.768 5.423 -1.805 1.00 0.00 O ATOM 368 OD2 ASP A 331 39.307 3.329 -1.600 1.00 0.00 O ATOM 0 H ASP A 331 43.113 5.052 -1.131 1.00 0.00 H new ATOM 0 HA ASP A 331 40.861 6.410 0.244 1.00 0.00 H new ATOM 0 HB2 ASP A 331 41.391 3.419 -0.028 1.00 0.00 H new ATOM 0 HB3 ASP A 331 40.095 4.143 0.903 1.00 0.00 H new ATOM 373 N PRO A 332 43.030 6.577 1.777 1.00 0.00 N ATOM 374 CA PRO A 332 43.912 6.644 2.978 1.00 0.00 C ATOM 375 C PRO A 332 43.143 6.393 4.270 1.00 0.00 C ATOM 376 O PRO A 332 43.694 5.878 5.242 1.00 0.00 O ATOM 377 CB PRO A 332 44.476 8.069 2.942 1.00 0.00 C ATOM 378 CG PRO A 332 43.534 8.849 2.090 1.00 0.00 C ATOM 379 CD PRO A 332 42.964 7.874 1.078 1.00 0.00 C ATOM 0 HA PRO A 332 44.687 5.878 2.958 1.00 0.00 H new ATOM 0 HB2 PRO A 332 44.540 8.491 3.945 1.00 0.00 H new ATOM 0 HB3 PRO A 332 45.484 8.082 2.526 1.00 0.00 H new ATOM 0 HG2 PRO A 332 42.741 9.291 2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 332 44.050 9.669 1.591 1.00 0.00 H new ATOM 0 HD2 PRO A 332 41.941 8.131 0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 332 43.547 7.864 0.157 1.00 0.00 H new ATOM 387 N GLU A 333 41.864 6.752 4.271 1.00 0.00 N ATOM 388 CA GLU A 333 41.030 6.551 5.449 1.00 0.00 C ATOM 389 C GLU A 333 40.925 5.064 5.779 1.00 0.00 C ATOM 390 O GLU A 333 41.055 4.663 6.936 1.00 0.00 O ATOM 391 CB GLU A 333 39.629 7.122 5.197 1.00 0.00 C ATOM 392 CG GLU A 333 38.778 6.970 6.460 1.00 0.00 C ATOM 393 CD GLU A 333 37.395 7.567 6.231 1.00 0.00 C ATOM 394 OE1 GLU A 333 37.149 8.040 5.134 1.00 0.00 O ATOM 395 OE2 GLU A 333 36.601 7.539 7.157 1.00 0.00 O ATOM 0 H GLU A 333 41.386 7.179 3.478 1.00 0.00 H new ATOM 0 HA GLU A 333 41.487 7.068 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 333 39.699 8.173 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 333 39.157 6.601 4.364 1.00 0.00 H new ATOM 0 HG2 GLU A 333 38.689 5.916 6.724 1.00 0.00 H new ATOM 0 HG3 GLU A 333 39.264 7.469 7.298 1.00 0.00 H new ATOM 402 N PHE A 334 40.694 4.251 4.754 1.00 0.00 N ATOM 403 CA PHE A 334 40.578 2.809 4.941 1.00 0.00 C ATOM 404 C PHE A 334 41.900 2.235 5.439 1.00 0.00 C ATOM 405 O PHE A 334 41.929 1.406 6.351 1.00 0.00 O ATOM 406 CB PHE A 334 40.181 2.137 3.628 1.00 0.00 C ATOM 407 CG PHE A 334 39.972 0.660 3.862 1.00 0.00 C ATOM 408 CD1 PHE A 334 38.811 0.212 4.505 1.00 0.00 C ATOM 409 CD2 PHE A 334 40.936 -0.264 3.436 1.00 0.00 C ATOM 410 CE1 PHE A 334 38.614 -1.157 4.723 1.00 0.00 C ATOM 411 CE2 PHE A 334 40.739 -1.631 3.654 1.00 0.00 C ATOM 412 CZ PHE A 334 39.579 -2.078 4.298 1.00 0.00 C ATOM 0 H PHE A 334 40.584 4.564 3.789 1.00 0.00 H new ATOM 0 HA PHE A 334 39.805 2.615 5.685 1.00 0.00 H new ATOM 0 HB2 PHE A 334 39.268 2.587 3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 334 40.958 2.291 2.879 1.00 0.00 H new ATOM 0 HD1 PHE A 334 38.067 0.923 4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 334 41.831 0.080 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 334 37.719 -1.502 5.218 1.00 0.00 H new ATOM 0 HE2 PHE A 334 41.482 -2.342 3.325 1.00 0.00 H new ATOM 0 HZ PHE A 334 39.428 -3.134 4.467 1.00 0.00 H new ATOM 422 N LEU A 335 42.993 2.678 4.828 1.00 0.00 N ATOM 423 CA LEU A 335 44.316 2.199 5.217 1.00 0.00 C ATOM 424 C LEU A 335 44.619 2.564 6.665 1.00 0.00 C ATOM 425 O LEU A 335 45.207 1.774 7.404 1.00 0.00 O ATOM 426 CB LEU A 335 45.383 2.805 4.302 1.00 0.00 C ATOM 427 CG LEU A 335 45.262 2.199 2.901 1.00 0.00 C ATOM 428 CD1 LEU A 335 46.181 2.952 1.936 1.00 0.00 C ATOM 429 CD2 LEU A 335 45.665 0.719 2.937 1.00 0.00 C ATOM 0 H LEU A 335 42.992 3.360 4.070 1.00 0.00 H new ATOM 0 HA LEU A 335 44.328 1.113 5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 335 45.262 3.887 4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 335 46.376 2.613 4.708 1.00 0.00 H new ATOM 0 HG LEU A 335 44.229 2.283 2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 335 46.094 2.520 0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 335 45.891 4.002 1.903 1.00 0.00 H new ATOM 0 HD13 LEU A 335 47.213 2.871 2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 335 45.577 0.293 1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 335 46.696 0.631 3.279 1.00 0.00 H new ATOM 0 HD23 LEU A 335 45.009 0.180 3.620 1.00 0.00 H new ATOM 441 N GLN A 336 44.218 3.766 7.060 1.00 0.00 N ATOM 442 CA GLN A 336 44.454 4.228 8.422 1.00 0.00 C ATOM 443 C GLN A 336 43.758 3.311 9.424 1.00 0.00 C ATOM 444 O GLN A 336 44.318 2.981 10.469 1.00 0.00 O ATOM 445 CB GLN A 336 43.931 5.657 8.586 1.00 0.00 C ATOM 446 CG GLN A 336 44.250 6.160 9.995 1.00 0.00 C ATOM 447 CD GLN A 336 43.827 7.618 10.136 1.00 0.00 C ATOM 448 OE1 GLN A 336 42.908 8.067 9.451 1.00 0.00 O ATOM 449 NE2 GLN A 336 44.442 8.386 10.993 1.00 0.00 N ATOM 0 H GLN A 336 43.732 4.434 6.462 1.00 0.00 H new ATOM 0 HA GLN A 336 45.527 4.210 8.613 1.00 0.00 H new ATOM 0 HB2 GLN A 336 44.389 6.310 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 336 42.855 5.683 8.414 1.00 0.00 H new ATOM 0 HG2 GLN A 336 43.732 5.549 10.734 1.00 0.00 H new ATOM 0 HG3 GLN A 336 45.317 6.062 10.192 1.00 0.00 H new ATOM 0 HE21 GLN A 336 45.203 8.011 11.559 1.00 0.00 H new ATOM 0 HE22 GLN A 336 44.162 9.361 11.097 1.00 0.00 H new ATOM 458 N SER A 337 42.536 2.905 9.097 1.00 0.00 N ATOM 459 CA SER A 337 41.776 2.028 9.981 1.00 0.00 C ATOM 460 C SER A 337 42.501 0.701 10.177 1.00 0.00 C ATOM 461 O SER A 337 42.558 0.170 11.285 1.00 0.00 O ATOM 462 CB SER A 337 40.390 1.766 9.387 1.00 0.00 C ATOM 463 OG SER A 337 39.642 2.975 9.385 1.00 0.00 O ATOM 0 H SER A 337 42.054 3.165 8.236 1.00 0.00 H new ATOM 0 HA SER A 337 41.674 2.520 10.948 1.00 0.00 H new ATOM 0 HB2 SER A 337 40.484 1.382 8.371 1.00 0.00 H new ATOM 0 HB3 SER A 337 39.871 1.005 9.969 1.00 0.00 H new ATOM 0 HG SER A 337 39.992 3.575 8.694 1.00 0.00 H new ATOM 469 N VAL A 338 43.061 0.175 9.096 1.00 0.00 N ATOM 470 CA VAL A 338 43.785 -1.090 9.163 1.00 0.00 C ATOM 471 C VAL A 338 44.982 -0.976 10.097 1.00 0.00 C ATOM 472 O VAL A 338 45.223 -1.858 10.922 1.00 0.00 O ATOM 473 CB VAL A 338 44.259 -1.496 7.765 1.00 0.00 C ATOM 474 CG1 VAL A 338 45.213 -2.687 7.874 1.00 0.00 C ATOM 475 CG2 VAL A 338 43.051 -1.888 6.908 1.00 0.00 C ATOM 0 H VAL A 338 43.029 0.599 8.169 1.00 0.00 H new ATOM 0 HA VAL A 338 43.110 -1.852 9.552 1.00 0.00 H new ATOM 0 HB VAL A 338 44.777 -0.657 7.301 1.00 0.00 H new ATOM 0 HG11 VAL A 338 45.550 -2.976 6.878 1.00 0.00 H new ATOM 0 HG12 VAL A 338 46.074 -2.409 8.482 1.00 0.00 H new ATOM 0 HG13 VAL A 338 44.696 -3.526 8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 338 43.389 -2.177 5.913 1.00 0.00 H new ATOM 0 HG22 VAL A 338 42.532 -2.726 7.373 1.00 0.00 H new ATOM 0 HG23 VAL A 338 42.371 -1.040 6.828 1.00 0.00 H new ATOM 485 N LEU A 339 45.731 0.113 9.962 1.00 0.00 N ATOM 486 CA LEU A 339 46.903 0.327 10.800 1.00 0.00 C ATOM 487 C LEU A 339 46.501 0.411 12.267 1.00 0.00 C ATOM 488 O LEU A 339 47.175 -0.140 13.135 1.00 0.00 O ATOM 489 CB LEU A 339 47.603 1.623 10.388 1.00 0.00 C ATOM 490 CG LEU A 339 48.243 1.441 9.007 1.00 0.00 C ATOM 491 CD1 LEU A 339 48.746 2.792 8.492 1.00 0.00 C ATOM 492 CD2 LEU A 339 49.418 0.460 9.099 1.00 0.00 C ATOM 0 H LEU A 339 45.549 0.855 9.286 1.00 0.00 H new ATOM 0 HA LEU A 339 47.583 -0.514 10.668 1.00 0.00 H new ATOM 0 HB2 LEU A 339 46.886 2.444 10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 339 48.365 1.887 11.122 1.00 0.00 H new ATOM 0 HG LEU A 339 47.497 1.043 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 339 49.201 2.661 7.510 1.00 0.00 H new ATOM 0 HD12 LEU A 339 47.909 3.486 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 339 49.487 3.192 9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 339 49.867 0.336 8.113 1.00 0.00 H new ATOM 0 HD22 LEU A 339 50.164 0.850 9.791 1.00 0.00 H new ATOM 0 HD23 LEU A 339 49.059 -0.505 9.458 1.00 0.00 H new ATOM 504 N GLU A 340 45.393 1.088 12.533 1.00 0.00 N ATOM 505 CA GLU A 340 44.897 1.224 13.898 1.00 0.00 C ATOM 506 C GLU A 340 44.455 -0.133 14.440 1.00 0.00 C ATOM 507 O GLU A 340 44.648 -0.435 15.618 1.00 0.00 O ATOM 508 CB GLU A 340 43.727 2.207 13.939 1.00 0.00 C ATOM 509 CG GLU A 340 43.283 2.415 15.389 1.00 0.00 C ATOM 510 CD GLU A 340 42.149 3.431 15.446 1.00 0.00 C ATOM 511 OE1 GLU A 340 41.794 3.951 14.401 1.00 0.00 O ATOM 512 OE2 GLU A 340 41.648 3.669 16.532 1.00 0.00 O ATOM 0 H GLU A 340 44.821 1.550 11.826 1.00 0.00 H new ATOM 0 HA GLU A 340 45.704 1.607 14.523 1.00 0.00 H new ATOM 0 HB2 GLU A 340 44.023 3.159 13.498 1.00 0.00 H new ATOM 0 HB3 GLU A 340 42.897 1.825 13.345 1.00 0.00 H new ATOM 0 HG2 GLU A 340 42.955 1.468 15.817 1.00 0.00 H new ATOM 0 HG3 GLU A 340 44.124 2.762 15.989 1.00 0.00 H new ATOM 519 N ASN A 341 43.847 -0.940 13.576 1.00 0.00 N ATOM 520 CA ASN A 341 43.369 -2.256 13.978 1.00 0.00 C ATOM 521 C ASN A 341 44.525 -3.099 14.499 1.00 0.00 C ATOM 522 O ASN A 341 44.367 -3.865 15.452 1.00 0.00 O ATOM 523 CB ASN A 341 42.711 -2.960 12.789 1.00 0.00 C ATOM 524 CG ASN A 341 42.107 -4.287 13.236 1.00 0.00 C ATOM 525 OD1 ASN A 341 42.528 -4.852 14.245 1.00 0.00 O ATOM 526 ND2 ASN A 341 41.140 -4.818 12.543 1.00 0.00 N ATOM 0 H ASN A 341 43.675 -0.706 12.598 1.00 0.00 H new ATOM 0 HA ASN A 341 42.634 -2.133 14.773 1.00 0.00 H new ATOM 0 HB2 ASN A 341 41.935 -2.323 12.363 1.00 0.00 H new ATOM 0 HB3 ASN A 341 43.448 -3.133 12.005 1.00 0.00 H new ATOM 0 HD21 ASN A 341 40.730 -5.705 12.836 1.00 0.00 H new ATOM 0 HD22 ASN A 341 40.793 -4.347 11.707 1.00 0.00 H new ATOM 533 N LEU A 342 45.682 -2.964 13.856 1.00 0.00 N ATOM 534 CA LEU A 342 46.845 -3.729 14.255 1.00 0.00 C ATOM 535 C LEU A 342 47.193 -3.467 15.727 1.00 0.00 C ATOM 536 O LEU A 342 47.075 -2.338 16.215 1.00 0.00 O ATOM 537 CB LEU A 342 48.047 -3.365 13.382 1.00 0.00 C ATOM 538 CG LEU A 342 47.785 -3.819 11.946 1.00 0.00 C ATOM 539 CD1 LEU A 342 48.893 -3.294 11.033 1.00 0.00 C ATOM 540 CD2 LEU A 342 47.755 -5.352 11.878 1.00 0.00 C ATOM 0 H LEU A 342 45.832 -2.337 13.065 1.00 0.00 H new ATOM 0 HA LEU A 342 46.609 -4.786 14.128 1.00 0.00 H new ATOM 0 HB2 LEU A 342 48.218 -2.289 13.410 1.00 0.00 H new ATOM 0 HB3 LEU A 342 48.948 -3.841 13.767 1.00 0.00 H new ATOM 0 HG LEU A 342 46.823 -3.426 11.619 1.00 0.00 H new ATOM 0 HD11 LEU A 342 48.705 -3.618 10.009 1.00 0.00 H new ATOM 0 HD12 LEU A 342 48.910 -2.205 11.071 1.00 0.00 H new ATOM 0 HD13 LEU A 342 49.855 -3.684 11.367 1.00 0.00 H new ATOM 0 HD21 LEU A 342 47.568 -5.667 10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 342 48.714 -5.750 12.211 1.00 0.00 H new ATOM 0 HD23 LEU A 342 46.962 -5.729 12.524 1.00 0.00 H new ATOM 552 N PRO A 343 47.614 -4.483 16.443 1.00 0.00 N ATOM 553 CA PRO A 343 47.969 -4.352 17.884 1.00 0.00 C ATOM 554 C PRO A 343 49.241 -3.540 18.097 1.00 0.00 C ATOM 555 O PRO A 343 50.234 -3.727 17.394 1.00 0.00 O ATOM 556 CB PRO A 343 48.159 -5.803 18.336 1.00 0.00 C ATOM 557 CG PRO A 343 48.523 -6.554 17.100 1.00 0.00 C ATOM 558 CD PRO A 343 47.812 -5.859 15.957 1.00 0.00 C ATOM 0 HA PRO A 343 47.204 -3.819 18.449 1.00 0.00 H new ATOM 0 HB2 PRO A 343 48.943 -5.881 19.089 1.00 0.00 H new ATOM 0 HB3 PRO A 343 47.247 -6.199 18.783 1.00 0.00 H new ATOM 0 HG2 PRO A 343 49.602 -6.551 16.946 1.00 0.00 H new ATOM 0 HG3 PRO A 343 48.215 -7.597 17.173 1.00 0.00 H new ATOM 0 HD2 PRO A 343 48.409 -5.878 15.045 1.00 0.00 H new ATOM 0 HD3 PRO A 343 46.862 -6.341 15.726 1.00 0.00 H new ATOM 566 N GLY A 344 49.206 -2.647 19.081 1.00 0.00 N ATOM 567 CA GLY A 344 50.368 -1.822 19.387 1.00 0.00 C ATOM 568 C GLY A 344 50.510 -0.690 18.381 1.00 0.00 C ATOM 569 O GLY A 344 51.489 0.058 18.416 1.00 0.00 O ATOM 0 H GLY A 344 48.394 -2.477 19.675 1.00 0.00 H new ATOM 0 HA2 GLY A 344 50.273 -1.411 20.392 1.00 0.00 H new ATOM 0 HA3 GLY A 344 51.268 -2.437 19.378 1.00 0.00 H new ATOM 573 N VAL A 345 49.533 -0.573 17.480 1.00 0.00 N ATOM 574 CA VAL A 345 49.573 0.474 16.466 1.00 0.00 C ATOM 575 C VAL A 345 48.467 1.490 16.713 1.00 0.00 C ATOM 576 O VAL A 345 47.287 1.131 16.792 1.00 0.00 O ATOM 577 CB VAL A 345 49.402 -0.143 15.079 1.00 0.00 C ATOM 578 CG1 VAL A 345 49.499 0.953 14.015 1.00 0.00 C ATOM 579 CG2 VAL A 345 50.499 -1.182 14.843 1.00 0.00 C ATOM 0 H VAL A 345 48.716 -1.182 17.434 1.00 0.00 H new ATOM 0 HA VAL A 345 50.537 0.980 16.522 1.00 0.00 H new ATOM 0 HB VAL A 345 48.426 -0.625 15.015 1.00 0.00 H new ATOM 0 HG11 VAL A 345 49.377 0.512 13.026 1.00 0.00 H new ATOM 0 HG12 VAL A 345 48.716 1.692 14.182 1.00 0.00 H new ATOM 0 HG13 VAL A 345 50.474 1.437 14.079 1.00 0.00 H new ATOM 0 HG21 VAL A 345 50.377 -1.622 13.853 1.00 0.00 H new ATOM 0 HG22 VAL A 345 51.475 -0.702 14.908 1.00 0.00 H new ATOM 0 HG23 VAL A 345 50.428 -1.964 15.599 1.00 0.00 H new ATOM 589 N ASP A 346 48.852 2.757 16.830 1.00 0.00 N ATOM 590 CA ASP A 346 47.882 3.811 17.063 1.00 0.00 C ATOM 591 C ASP A 346 48.188 5.031 16.191 1.00 0.00 C ATOM 592 O ASP A 346 49.348 5.304 15.879 1.00 0.00 O ATOM 593 CB ASP A 346 47.891 4.218 18.542 1.00 0.00 C ATOM 594 CG ASP A 346 49.246 4.797 18.911 1.00 0.00 C ATOM 595 OD1 ASP A 346 50.178 4.588 18.157 1.00 0.00 O ATOM 596 OD2 ASP A 346 49.328 5.448 19.938 1.00 0.00 O ATOM 0 H ASP A 346 49.820 3.073 16.767 1.00 0.00 H new ATOM 0 HA ASP A 346 46.895 3.431 16.799 1.00 0.00 H new ATOM 0 HB2 ASP A 346 47.108 4.953 18.731 1.00 0.00 H new ATOM 0 HB3 ASP A 346 47.673 3.352 19.168 1.00 0.00 H new ATOM 601 N PRO A 347 47.177 5.768 15.804 1.00 0.00 N ATOM 602 CA PRO A 347 47.344 6.985 14.956 1.00 0.00 C ATOM 603 C PRO A 347 48.105 8.092 15.678 1.00 0.00 C ATOM 604 O PRO A 347 48.647 8.999 15.045 1.00 0.00 O ATOM 605 CB PRO A 347 45.906 7.412 14.649 1.00 0.00 C ATOM 606 CG PRO A 347 45.075 6.815 15.733 1.00 0.00 C ATOM 607 CD PRO A 347 45.762 5.524 16.125 1.00 0.00 C ATOM 0 HA PRO A 347 47.932 6.783 14.061 1.00 0.00 H new ATOM 0 HB2 PRO A 347 45.813 8.498 14.636 1.00 0.00 H new ATOM 0 HB3 PRO A 347 45.590 7.053 13.669 1.00 0.00 H new ATOM 0 HG2 PRO A 347 45.001 7.491 16.585 1.00 0.00 H new ATOM 0 HG3 PRO A 347 44.059 6.626 15.386 1.00 0.00 H new ATOM 0 HD2 PRO A 347 45.624 5.303 17.183 1.00 0.00 H new ATOM 0 HD3 PRO A 347 45.366 4.675 15.568 1.00 0.00 H new ATOM 615 N ASN A 348 48.143 8.009 17.002 1.00 0.00 N ATOM 616 CA ASN A 348 48.842 9.008 17.800 1.00 0.00 C ATOM 617 C ASN A 348 50.352 8.864 17.637 1.00 0.00 C ATOM 618 O ASN A 348 51.109 9.781 17.951 1.00 0.00 O ATOM 619 CB ASN A 348 48.468 8.857 19.276 1.00 0.00 C ATOM 620 CG ASN A 348 47.033 9.319 19.499 1.00 0.00 C ATOM 621 OD1 ASN A 348 46.460 10.003 18.650 1.00 0.00 O ATOM 622 ND2 ASN A 348 46.417 8.996 20.604 1.00 0.00 N ATOM 0 H ASN A 348 47.701 7.266 17.543 1.00 0.00 H new ATOM 0 HA ASN A 348 48.543 9.996 17.451 1.00 0.00 H new ATOM 0 HB2 ASN A 348 48.576 7.817 19.583 1.00 0.00 H new ATOM 0 HB3 ASN A 348 49.148 9.443 19.894 1.00 0.00 H new ATOM 0 HD21 ASN A 348 45.460 9.310 20.765 1.00 0.00 H new ATOM 0 HD22 ASN A 348 46.893 8.429 21.306 1.00 0.00 H new ATOM 629 N ASN A 349 50.785 7.708 17.141 1.00 0.00 N ATOM 630 CA ASN A 349 52.201 7.455 16.939 1.00 0.00 C ATOM 631 C ASN A 349 52.783 8.444 15.932 1.00 0.00 C ATOM 632 O ASN A 349 52.211 8.671 14.864 1.00 0.00 O ATOM 633 CB ASN A 349 52.410 6.027 16.429 1.00 0.00 C ATOM 634 CG ASN A 349 53.539 5.358 17.204 1.00 0.00 C ATOM 635 OD1 ASN A 349 53.635 5.513 18.422 1.00 0.00 O ATOM 636 ND2 ASN A 349 54.402 4.616 16.569 1.00 0.00 N ATOM 0 H ASN A 349 50.174 6.936 16.873 1.00 0.00 H new ATOM 0 HA ASN A 349 52.712 7.579 17.894 1.00 0.00 H new ATOM 0 HB2 ASN A 349 51.490 5.453 16.542 1.00 0.00 H new ATOM 0 HB3 ASN A 349 52.647 6.043 15.365 1.00 0.00 H new ATOM 0 HD21 ASN A 349 55.159 4.162 17.081 1.00 0.00 H new ATOM 0 HD22 ASN A 349 54.321 4.489 15.560 1.00 0.00 H new ATOM 643 N GLU A 350 53.925 9.022 16.278 1.00 0.00 N ATOM 644 CA GLU A 350 54.587 9.978 15.400 1.00 0.00 C ATOM 645 C GLU A 350 54.988 9.305 14.091 1.00 0.00 C ATOM 646 O GLU A 350 54.937 9.919 13.026 1.00 0.00 O ATOM 647 CB GLU A 350 55.828 10.555 16.084 1.00 0.00 C ATOM 648 CG GLU A 350 55.397 11.472 17.231 1.00 0.00 C ATOM 649 CD GLU A 350 56.618 11.910 18.033 1.00 0.00 C ATOM 650 OE1 GLU A 350 57.671 11.328 17.838 1.00 0.00 O ATOM 651 OE2 GLU A 350 56.480 12.822 18.833 1.00 0.00 O ATOM 0 H GLU A 350 54.411 8.847 17.157 1.00 0.00 H new ATOM 0 HA GLU A 350 53.890 10.788 15.185 1.00 0.00 H new ATOM 0 HB2 GLU A 350 56.455 9.749 16.465 1.00 0.00 H new ATOM 0 HB3 GLU A 350 56.427 11.112 15.364 1.00 0.00 H new ATOM 0 HG2 GLU A 350 54.879 12.345 16.835 1.00 0.00 H new ATOM 0 HG3 GLU A 350 54.693 10.951 17.880 1.00 0.00 H new ATOM 658 N ALA A 351 55.394 8.042 14.182 1.00 0.00 N ATOM 659 CA ALA A 351 55.808 7.298 12.997 1.00 0.00 C ATOM 660 C ALA A 351 54.659 7.191 12.003 1.00 0.00 C ATOM 661 O ALA A 351 54.853 7.343 10.797 1.00 0.00 O ATOM 662 CB ALA A 351 56.269 5.894 13.399 1.00 0.00 C ATOM 0 H ALA A 351 55.445 7.517 15.055 1.00 0.00 H new ATOM 0 HA ALA A 351 56.633 7.832 12.525 1.00 0.00 H new ATOM 0 HB1 ALA A 351 56.577 5.344 12.510 1.00 0.00 H new ATOM 0 HB2 ALA A 351 57.110 5.971 14.088 1.00 0.00 H new ATOM 0 HB3 ALA A 351 55.448 5.367 13.886 1.00 0.00 H new ATOM 668 N ILE A 352 53.461 6.936 12.514 1.00 0.00 N ATOM 669 CA ILE A 352 52.290 6.818 11.655 1.00 0.00 C ATOM 670 C ILE A 352 52.025 8.123 10.920 1.00 0.00 C ATOM 671 O ILE A 352 51.795 8.131 9.709 1.00 0.00 O ATOM 672 CB ILE A 352 51.066 6.446 12.497 1.00 0.00 C ATOM 673 CG1 ILE A 352 51.197 5.001 12.987 1.00 0.00 C ATOM 674 CG2 ILE A 352 49.797 6.585 11.648 1.00 0.00 C ATOM 675 CD1 ILE A 352 50.671 4.039 11.915 1.00 0.00 C ATOM 0 H ILE A 352 53.276 6.808 13.509 1.00 0.00 H new ATOM 0 HA ILE A 352 52.480 6.037 10.919 1.00 0.00 H new ATOM 0 HB ILE A 352 51.004 7.114 13.356 1.00 0.00 H new ATOM 0 HG12 ILE A 352 52.240 4.776 13.210 1.00 0.00 H new ATOM 0 HG13 ILE A 352 50.637 4.869 13.913 1.00 0.00 H new ATOM 0 HG21 ILE A 352 48.927 6.320 12.248 1.00 0.00 H new ATOM 0 HG22 ILE A 352 49.700 7.615 11.304 1.00 0.00 H new ATOM 0 HG23 ILE A 352 49.860 5.919 10.787 1.00 0.00 H new ATOM 0 HD11 ILE A 352 50.767 3.012 12.269 1.00 0.00 H new ATOM 0 HD12 ILE A 352 49.622 4.257 11.713 1.00 0.00 H new ATOM 0 HD13 ILE A 352 51.250 4.163 11.000 1.00 0.00 H new ATOM 687 N ARG A 353 52.062 9.224 11.657 1.00 0.00 N ATOM 688 CA ARG A 353 51.824 10.537 11.059 1.00 0.00 C ATOM 689 C ARG A 353 52.880 10.843 10.000 1.00 0.00 C ATOM 690 O ARG A 353 52.562 11.305 8.903 1.00 0.00 O ATOM 691 CB ARG A 353 51.854 11.619 12.141 1.00 0.00 C ATOM 692 CG ARG A 353 51.509 12.977 11.523 1.00 0.00 C ATOM 693 CD ARG A 353 51.520 14.050 12.609 1.00 0.00 C ATOM 694 NE ARG A 353 50.495 13.769 13.607 1.00 0.00 N ATOM 695 CZ ARG A 353 49.229 14.123 13.412 1.00 0.00 C ATOM 696 NH1 ARG A 353 48.330 13.859 14.320 1.00 0.00 N ATOM 697 NH2 ARG A 353 48.885 14.736 12.312 1.00 0.00 N ATOM 0 H ARG A 353 52.252 9.239 12.659 1.00 0.00 H new ATOM 0 HA ARG A 353 50.843 10.526 10.585 1.00 0.00 H new ATOM 0 HB2 ARG A 353 51.143 11.377 12.931 1.00 0.00 H new ATOM 0 HB3 ARG A 353 52.841 11.659 12.602 1.00 0.00 H new ATOM 0 HG2 ARG A 353 52.229 13.227 10.743 1.00 0.00 H new ATOM 0 HG3 ARG A 353 50.528 12.934 11.050 1.00 0.00 H new ATOM 0 HD2 ARG A 353 52.500 14.086 13.084 1.00 0.00 H new ATOM 0 HD3 ARG A 353 51.345 15.030 12.164 1.00 0.00 H new ATOM 0 HE ARG A 353 50.754 13.292 14.471 1.00 0.00 H new ATOM 0 HH11 ARG A 353 48.599 13.381 15.180 1.00 0.00 H new ATOM 0 HH12 ARG A 353 47.358 14.131 14.170 1.00 0.00 H new ATOM 0 HH21 ARG A 353 49.588 14.943 11.602 1.00 0.00 H new ATOM 0 HH22 ARG A 353 47.913 15.008 12.162 1.00 0.00 H new ATOM 711 N ASN A 354 54.137 10.587 10.338 1.00 0.00 N ATOM 712 CA ASN A 354 55.235 10.839 9.412 1.00 0.00 C ATOM 713 C ASN A 354 55.102 9.960 8.173 1.00 0.00 C ATOM 714 O ASN A 354 55.396 10.394 7.059 1.00 0.00 O ATOM 715 CB ASN A 354 56.575 10.566 10.099 1.00 0.00 C ATOM 716 CG ASN A 354 56.860 11.651 11.133 1.00 0.00 C ATOM 717 OD1 ASN A 354 56.294 12.743 11.063 1.00 0.00 O ATOM 718 ND2 ASN A 354 57.710 11.415 12.094 1.00 0.00 N ATOM 0 H ASN A 354 54.421 10.207 11.241 1.00 0.00 H new ATOM 0 HA ASN A 354 55.195 11.884 9.106 1.00 0.00 H new ATOM 0 HB2 ASN A 354 56.554 9.589 10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 354 57.374 10.539 9.358 1.00 0.00 H new ATOM 0 HD21 ASN A 354 57.907 12.135 12.789 1.00 0.00 H new ATOM 0 HD22 ASN A 354 58.178 10.510 12.150 1.00 0.00 H new ATOM 725 N ALA A 355 54.670 8.720 8.377 1.00 0.00 N ATOM 726 CA ALA A 355 54.512 7.787 7.268 1.00 0.00 C ATOM 727 C ALA A 355 53.503 8.322 6.258 1.00 0.00 C ATOM 728 O ALA A 355 53.725 8.252 5.050 1.00 0.00 O ATOM 729 CB ALA A 355 54.037 6.432 7.794 1.00 0.00 C ATOM 0 H ALA A 355 54.425 8.340 9.292 1.00 0.00 H new ATOM 0 HA ALA A 355 55.477 7.670 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 355 53.921 5.739 6.961 1.00 0.00 H new ATOM 0 HB2 ALA A 355 54.771 6.036 8.496 1.00 0.00 H new ATOM 0 HB3 ALA A 355 53.080 6.554 8.301 1.00 0.00 H new ATOM 735 N MET A 356 52.399 8.864 6.759 1.00 0.00 N ATOM 736 CA MET A 356 51.369 9.412 5.884 1.00 0.00 C ATOM 737 C MET A 356 51.903 10.616 5.121 1.00 0.00 C ATOM 738 O MET A 356 51.606 10.793 3.939 1.00 0.00 O ATOM 739 CB MET A 356 50.154 9.830 6.718 1.00 0.00 C ATOM 740 CG MET A 356 49.504 8.598 7.356 1.00 0.00 C ATOM 741 SD MET A 356 48.870 7.491 6.070 1.00 0.00 S ATOM 742 CE MET A 356 50.132 6.202 6.228 1.00 0.00 C ATOM 0 H MET A 356 52.195 8.936 7.756 1.00 0.00 H new ATOM 0 HA MET A 356 51.075 8.645 5.167 1.00 0.00 H new ATOM 0 HB2 MET A 356 50.460 10.532 7.494 1.00 0.00 H new ATOM 0 HB3 MET A 356 49.431 10.347 6.087 1.00 0.00 H new ATOM 0 HG2 MET A 356 50.232 8.072 7.973 1.00 0.00 H new ATOM 0 HG3 MET A 356 48.692 8.906 8.014 1.00 0.00 H new ATOM 0 HE1 MET A 356 50.421 5.853 5.237 1.00 0.00 H new ATOM 0 HE2 MET A 356 51.005 6.608 6.739 1.00 0.00 H new ATOM 0 HE3 MET A 356 49.730 5.368 6.804 1.00 0.00 H new ATOM 752 N GLY A 357 52.697 11.438 5.801 1.00 0.00 N ATOM 753 CA GLY A 357 53.273 12.620 5.168 1.00 0.00 C ATOM 754 C GLY A 357 54.214 12.231 4.034 1.00 0.00 C ATOM 755 O GLY A 357 54.189 12.830 2.958 1.00 0.00 O ATOM 0 H GLY A 357 52.954 11.310 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 357 52.475 13.255 4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 357 53.815 13.206 5.910 1.00 0.00 H new ATOM 759 N SER A 358 55.041 11.220 4.281 1.00 0.00 N ATOM 760 CA SER A 358 55.985 10.751 3.273 1.00 0.00 C ATOM 761 C SER A 358 55.243 10.177 2.074 1.00 0.00 C ATOM 762 O SER A 358 55.646 10.376 0.927 1.00 0.00 O ATOM 763 CB SER A 358 56.907 9.687 3.870 1.00 0.00 C ATOM 764 OG SER A 358 57.732 10.285 4.862 1.00 0.00 O ATOM 0 H SER A 358 55.077 10.712 5.165 1.00 0.00 H new ATOM 0 HA SER A 358 56.585 11.599 2.941 1.00 0.00 H new ATOM 0 HB2 SER A 358 56.317 8.882 4.308 1.00 0.00 H new ATOM 0 HB3 SER A 358 57.523 9.242 3.088 1.00 0.00 H new ATOM 0 HG SER A 358 57.214 10.414 5.684 1.00 0.00 H new ATOM 770 N LEU A 359 54.161 9.457 2.345 1.00 0.00 N ATOM 771 CA LEU A 359 53.380 8.852 1.278 1.00 0.00 C ATOM 772 C LEU A 359 52.840 9.927 0.340 1.00 0.00 C ATOM 773 O LEU A 359 52.904 9.787 -0.881 1.00 0.00 O ATOM 774 CB LEU A 359 52.212 8.054 1.873 1.00 0.00 C ATOM 775 CG LEU A 359 51.399 7.399 0.749 1.00 0.00 C ATOM 776 CD1 LEU A 359 52.294 6.439 -0.038 1.00 0.00 C ATOM 777 CD2 LEU A 359 50.227 6.623 1.350 1.00 0.00 C ATOM 0 H LEU A 359 53.809 9.280 3.286 1.00 0.00 H new ATOM 0 HA LEU A 359 54.026 8.181 0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 359 52.591 7.290 2.552 1.00 0.00 H new ATOM 0 HB3 LEU A 359 51.572 8.713 2.460 1.00 0.00 H new ATOM 0 HG LEU A 359 51.019 8.172 0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 359 51.715 5.974 -0.836 1.00 0.00 H new ATOM 0 HD12 LEU A 359 53.129 6.991 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 359 52.676 5.667 0.630 1.00 0.00 H new ATOM 0 HD21 LEU A 359 49.650 6.158 0.550 1.00 0.00 H new ATOM 0 HD22 LEU A 359 50.607 5.851 2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 359 49.587 7.306 1.909 1.00 0.00 H new ATOM 789 N ALA A 360 52.308 10.994 0.919 1.00 0.00 N ATOM 790 CA ALA A 360 51.762 12.090 0.126 1.00 0.00 C ATOM 791 C ALA A 360 52.864 13.076 -0.249 1.00 0.00 C ATOM 792 O ALA A 360 52.644 14.001 -1.030 1.00 0.00 O ATOM 793 CB ALA A 360 50.669 12.816 0.911 1.00 0.00 C ATOM 0 H ALA A 360 52.242 11.126 1.928 1.00 0.00 H new ATOM 0 HA ALA A 360 51.333 11.674 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 360 50.269 13.632 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 360 49.868 12.117 1.152 1.00 0.00 H new ATOM 0 HB3 ALA A 360 51.089 13.218 1.833 1.00 0.00 H new ATOM 1099 N LYS B 25 37.311 -5.483 -3.067 1.00 0.00 N ATOM 1100 CA LYS B 25 38.678 -5.013 -3.278 1.00 0.00 C ATOM 1101 C LYS B 25 39.267 -4.491 -1.972 1.00 0.00 C ATOM 1102 O LYS B 25 40.420 -4.767 -1.641 1.00 0.00 O ATOM 1103 CB LYS B 25 38.678 -3.891 -4.317 1.00 0.00 C ATOM 1104 CG LYS B 25 38.271 -4.459 -5.679 1.00 0.00 C ATOM 1105 CD LYS B 25 38.115 -3.315 -6.681 1.00 0.00 C ATOM 1106 CE LYS B 25 37.457 -3.842 -7.953 1.00 0.00 C ATOM 1107 NZ LYS B 25 38.373 -4.800 -8.635 1.00 0.00 N ATOM 0 HA LYS B 25 39.285 -5.846 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS B 25 37.986 -3.103 -4.018 1.00 0.00 H new ATOM 0 HB3 LYS B 25 39.668 -3.439 -4.380 1.00 0.00 H new ATOM 0 HG2 LYS B 25 39.024 -5.165 -6.031 1.00 0.00 H new ATOM 0 HG3 LYS B 25 37.334 -5.010 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS B 25 37.510 -2.518 -6.249 1.00 0.00 H new ATOM 0 HD3 LYS B 25 39.089 -2.885 -6.914 1.00 0.00 H new ATOM 0 HE2 LYS B 25 36.516 -4.335 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS B 25 37.219 -3.014 -8.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 37.982 -5.052 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 39.306 -4.359 -8.760 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 38.471 -5.659 -8.056 1.00 0.00 H new ATOM 1121 N ARG B 26 38.464 -3.735 -1.231 1.00 0.00 N ATOM 1122 CA ARG B 26 38.921 -3.180 0.045 1.00 0.00 C ATOM 1123 C ARG B 26 39.249 -4.298 1.033 1.00 0.00 C ATOM 1124 O ARG B 26 40.248 -4.237 1.751 1.00 0.00 O ATOM 1125 CB ARG B 26 37.837 -2.279 0.642 1.00 0.00 C ATOM 1126 CG ARG B 26 37.717 -1.004 -0.191 1.00 0.00 C ATOM 1127 CD ARG B 26 36.517 -0.190 0.293 1.00 0.00 C ATOM 1128 NE ARG B 26 36.405 1.047 -0.473 1.00 0.00 N ATOM 1129 CZ ARG B 26 35.385 1.880 -0.291 1.00 0.00 C ATOM 1130 NH1 ARG B 26 34.462 1.599 0.588 1.00 0.00 N ATOM 1131 NH2 ARG B 26 35.307 2.980 -0.990 1.00 0.00 N ATOM 0 H ARG B 26 37.506 -3.493 -1.484 1.00 0.00 H new ATOM 0 HA ARG B 26 39.822 -2.596 -0.140 1.00 0.00 H new ATOM 0 HB2 ARG B 26 36.882 -2.805 0.661 1.00 0.00 H new ATOM 0 HB3 ARG B 26 38.084 -2.030 1.674 1.00 0.00 H new ATOM 0 HG2 ARG B 26 38.629 -0.413 -0.105 1.00 0.00 H new ATOM 0 HG3 ARG B 26 37.598 -1.255 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG B 26 35.604 -0.776 0.187 1.00 0.00 H new ATOM 0 HD3 ARG B 26 36.627 0.039 1.353 1.00 0.00 H new ATOM 0 HE ARG B 26 37.122 1.277 -1.161 1.00 0.00 H new ATOM 0 HH11 ARG B 26 34.523 0.740 1.135 1.00 0.00 H new ATOM 0 HH12 ARG B 26 33.679 2.238 0.728 1.00 0.00 H new ATOM 0 HH21 ARG B 26 36.029 3.201 -1.676 1.00 0.00 H new ATOM 0 HH22 ARG B 26 34.524 3.619 -0.850 1.00 0.00 H new ATOM 1145 N ALA B 27 38.399 -5.317 1.065 1.00 0.00 N ATOM 1146 CA ALA B 27 38.607 -6.445 1.968 1.00 0.00 C ATOM 1147 C ALA B 27 39.907 -7.172 1.633 1.00 0.00 C ATOM 1148 O ALA B 27 40.649 -7.582 2.526 1.00 0.00 O ATOM 1149 CB ALA B 27 37.433 -7.419 1.870 1.00 0.00 C ATOM 0 H ALA B 27 37.565 -5.387 0.482 1.00 0.00 H new ATOM 0 HA ALA B 27 38.674 -6.061 2.986 1.00 0.00 H new ATOM 0 HB1 ALA B 27 37.598 -8.257 2.547 1.00 0.00 H new ATOM 0 HB2 ALA B 27 36.511 -6.906 2.145 1.00 0.00 H new ATOM 0 HB3 ALA B 27 37.352 -7.789 0.848 1.00 0.00 H new ATOM 1155 N ALA B 28 40.170 -7.336 0.340 1.00 0.00 N ATOM 1156 CA ALA B 28 41.380 -8.019 -0.102 1.00 0.00 C ATOM 1157 C ALA B 28 42.622 -7.260 0.355 1.00 0.00 C ATOM 1158 O ALA B 28 43.603 -7.862 0.793 1.00 0.00 O ATOM 1159 CB ALA B 28 41.385 -8.136 -1.627 1.00 0.00 C ATOM 0 H ALA B 28 39.567 -7.008 -0.414 1.00 0.00 H new ATOM 0 HA ALA B 28 41.394 -9.015 0.340 1.00 0.00 H new ATOM 0 HB1 ALA B 28 42.292 -8.647 -1.950 1.00 0.00 H new ATOM 0 HB2 ALA B 28 40.513 -8.704 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA B 28 41.353 -7.140 -2.068 1.00 0.00 H new ATOM 1165 N ALA B 29 42.572 -5.936 0.251 1.00 0.00 N ATOM 1166 CA ALA B 29 43.701 -5.107 0.656 1.00 0.00 C ATOM 1167 C ALA B 29 43.993 -5.288 2.141 1.00 0.00 C ATOM 1168 O ALA B 29 45.152 -5.358 2.551 1.00 0.00 O ATOM 1169 CB ALA B 29 43.394 -3.634 0.372 1.00 0.00 C ATOM 0 H ALA B 29 41.770 -5.418 -0.107 1.00 0.00 H new ATOM 0 HA ALA B 29 44.577 -5.414 0.085 1.00 0.00 H new ATOM 0 HB1 ALA B 29 44.242 -3.020 0.677 1.00 0.00 H new ATOM 0 HB2 ALA B 29 43.213 -3.499 -0.694 1.00 0.00 H new ATOM 0 HB3 ALA B 29 42.508 -3.333 0.931 1.00 0.00 H new ATOM 1175 N LYS B 30 42.936 -5.360 2.941 1.00 0.00 N ATOM 1176 CA LYS B 30 43.093 -5.530 4.381 1.00 0.00 C ATOM 1177 C LYS B 30 43.810 -6.837 4.691 1.00 0.00 C ATOM 1178 O LYS B 30 44.707 -6.877 5.531 1.00 0.00 O ATOM 1179 CB LYS B 30 41.721 -5.521 5.061 1.00 0.00 C ATOM 1180 CG LYS B 30 41.898 -5.650 6.577 1.00 0.00 C ATOM 1181 CD LYS B 30 40.535 -5.544 7.261 1.00 0.00 C ATOM 1182 CE LYS B 30 40.715 -5.657 8.775 1.00 0.00 C ATOM 1183 NZ LYS B 30 41.235 -7.011 9.115 1.00 0.00 N ATOM 0 H LYS B 30 41.969 -5.304 2.621 1.00 0.00 H new ATOM 0 HA LYS B 30 43.692 -4.703 4.763 1.00 0.00 H new ATOM 0 HB2 LYS B 30 41.192 -4.598 4.824 1.00 0.00 H new ATOM 0 HB3 LYS B 30 41.112 -6.343 4.685 1.00 0.00 H new ATOM 0 HG2 LYS B 30 42.365 -6.605 6.819 1.00 0.00 H new ATOM 0 HG3 LYS B 30 42.563 -4.868 6.944 1.00 0.00 H new ATOM 0 HD2 LYS B 30 40.063 -4.594 7.010 1.00 0.00 H new ATOM 0 HD3 LYS B 30 39.874 -6.333 6.903 1.00 0.00 H new ATOM 0 HE2 LYS B 30 41.406 -4.891 9.128 1.00 0.00 H new ATOM 0 HE3 LYS B 30 39.764 -5.484 9.279 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 41.043 -7.215 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 40.765 -7.723 8.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 42.261 -7.041 8.946 1.00 0.00 H new ATOM 1197 N HIS B 31 43.406 -7.904 4.012 1.00 0.00 N ATOM 1198 CA HIS B 31 44.019 -9.210 4.231 1.00 0.00 C ATOM 1199 C HIS B 31 45.502 -9.177 3.872 1.00 0.00 C ATOM 1200 O HIS B 31 46.334 -9.733 4.585 1.00 0.00 O ATOM 1201 CB HIS B 31 43.310 -10.267 3.382 1.00 0.00 C ATOM 1202 CG HIS B 31 42.055 -10.713 4.078 1.00 0.00 C ATOM 1203 ND1 HIS B 31 40.888 -9.965 4.055 1.00 0.00 N ATOM 1204 CD2 HIS B 31 41.768 -11.830 4.823 1.00 0.00 C ATOM 1205 CE1 HIS B 31 39.962 -10.635 4.765 1.00 0.00 C ATOM 1206 NE2 HIS B 31 40.446 -11.779 5.256 1.00 0.00 N ATOM 0 H HIS B 31 42.664 -7.893 3.312 1.00 0.00 H new ATOM 0 HA HIS B 31 43.920 -9.463 5.286 1.00 0.00 H new ATOM 0 HB2 HIS B 31 43.068 -9.858 2.401 1.00 0.00 H new ATOM 0 HB3 HIS B 31 43.970 -11.119 3.218 1.00 0.00 H new ATOM 0 HD1 HIS B 31 40.755 -9.069 3.585 1.00 0.00 H new ATOM 0 HD2 HIS B 31 42.463 -12.628 5.040 1.00 0.00 H new ATOM 0 HE1 HIS B 31 38.950 -10.290 4.919 1.00 0.00 H new ATOM 1215 N LEU B 32 45.824 -8.525 2.762 1.00 0.00 N ATOM 1216 CA LEU B 32 47.208 -8.432 2.320 1.00 0.00 C ATOM 1217 C LEU B 32 48.048 -7.664 3.330 1.00 0.00 C ATOM 1218 O LEU B 32 49.157 -8.075 3.664 1.00 0.00 O ATOM 1219 CB LEU B 32 47.273 -7.721 0.963 1.00 0.00 C ATOM 1220 CG LEU B 32 46.653 -8.615 -0.114 1.00 0.00 C ATOM 1221 CD1 LEU B 32 46.535 -7.833 -1.424 1.00 0.00 C ATOM 1222 CD2 LEU B 32 47.530 -9.852 -0.335 1.00 0.00 C ATOM 0 H LEU B 32 45.151 -8.056 2.156 1.00 0.00 H new ATOM 0 HA LEU B 32 47.606 -9.443 2.228 1.00 0.00 H new ATOM 0 HB2 LEU B 32 46.741 -6.771 1.013 1.00 0.00 H new ATOM 0 HB3 LEU B 32 48.308 -7.493 0.709 1.00 0.00 H new ATOM 0 HG LEU B 32 45.662 -8.932 0.213 1.00 0.00 H new ATOM 0 HD11 LEU B 32 46.093 -8.471 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU B 32 45.902 -6.959 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU B 32 47.525 -7.511 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU B 32 47.082 -10.483 -1.103 1.00 0.00 H new ATOM 0 HD22 LEU B 32 48.524 -9.541 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU B 32 47.608 -10.413 0.596 1.00 0.00 H new ATOM 1234 N ILE B 33 47.505 -6.560 3.827 1.00 0.00 N ATOM 1235 CA ILE B 33 48.216 -5.748 4.809 1.00 0.00 C ATOM 1236 C ILE B 33 48.489 -6.551 6.074 1.00 0.00 C ATOM 1237 O ILE B 33 49.598 -6.526 6.609 1.00 0.00 O ATOM 1238 CB ILE B 33 47.392 -4.506 5.155 1.00 0.00 C ATOM 1239 CG1 ILE B 33 47.371 -3.557 3.954 1.00 0.00 C ATOM 1240 CG2 ILE B 33 48.014 -3.798 6.358 1.00 0.00 C ATOM 1241 CD1 ILE B 33 46.319 -2.470 4.180 1.00 0.00 C ATOM 0 H ILE B 33 46.583 -6.208 3.570 1.00 0.00 H new ATOM 0 HA ILE B 33 49.169 -5.442 4.377 1.00 0.00 H new ATOM 0 HB ILE B 33 46.372 -4.803 5.400 1.00 0.00 H new ATOM 0 HG12 ILE B 33 48.353 -3.104 3.818 1.00 0.00 H new ATOM 0 HG13 ILE B 33 47.146 -4.112 3.043 1.00 0.00 H new ATOM 0 HG21 ILE B 33 47.426 -2.913 6.604 1.00 0.00 H new ATOM 0 HG22 ILE B 33 48.026 -4.475 7.212 1.00 0.00 H new ATOM 0 HG23 ILE B 33 49.035 -3.500 6.117 1.00 0.00 H new ATOM 0 HD11 ILE B 33 46.304 -1.794 3.325 1.00 0.00 H new ATOM 0 HD12 ILE B 33 45.338 -2.931 4.295 1.00 0.00 H new ATOM 0 HD13 ILE B 33 46.564 -1.909 5.082 1.00 0.00 H new ATOM 1253 N GLU B 34 47.472 -7.260 6.550 1.00 0.00 N ATOM 1254 CA GLU B 34 47.614 -8.066 7.756 1.00 0.00 C ATOM 1255 C GLU B 34 48.637 -9.173 7.538 1.00 0.00 C ATOM 1256 O GLU B 34 49.426 -9.484 8.433 1.00 0.00 O ATOM 1257 CB GLU B 34 46.265 -8.682 8.133 1.00 0.00 C ATOM 1258 CG GLU B 34 45.296 -7.574 8.548 1.00 0.00 C ATOM 1259 CD GLU B 34 45.724 -6.975 9.881 1.00 0.00 C ATOM 1260 OE1 GLU B 34 46.509 -7.607 10.568 1.00 0.00 O ATOM 1261 OE2 GLU B 34 45.260 -5.891 10.196 1.00 0.00 O ATOM 0 H GLU B 34 46.546 -7.293 6.123 1.00 0.00 H new ATOM 0 HA GLU B 34 47.957 -7.422 8.565 1.00 0.00 H new ATOM 0 HB2 GLU B 34 45.858 -9.238 7.288 1.00 0.00 H new ATOM 0 HB3 GLU B 34 46.393 -9.392 8.950 1.00 0.00 H new ATOM 0 HG2 GLU B 34 45.270 -6.798 7.783 1.00 0.00 H new ATOM 0 HG3 GLU B 34 44.286 -7.975 8.629 1.00 0.00 H new ATOM 1268 N ARG B 35 48.616 -9.769 6.347 1.00 0.00 N ATOM 1269 CA ARG B 35 49.548 -10.846 6.035 1.00 0.00 C ATOM 1270 C ARG B 35 50.986 -10.347 6.075 1.00 0.00 C ATOM 1271 O ARG B 35 51.868 -11.017 6.612 1.00 0.00 O ATOM 1272 CB ARG B 35 49.241 -11.405 4.643 1.00 0.00 C ATOM 1273 CG ARG B 35 47.925 -12.186 4.678 1.00 0.00 C ATOM 1274 CD ARG B 35 48.200 -13.641 5.066 1.00 0.00 C ATOM 1275 NE ARG B 35 46.951 -14.386 5.145 1.00 0.00 N ATOM 1276 CZ ARG B 35 46.934 -15.656 5.536 1.00 0.00 C ATOM 1277 NH1 ARG B 35 48.049 -16.255 5.856 1.00 0.00 N ATOM 1278 NH2 ARG B 35 45.803 -16.302 5.602 1.00 0.00 N ATOM 0 H ARG B 35 47.973 -9.528 5.593 1.00 0.00 H new ATOM 0 HA ARG B 35 49.431 -11.630 6.783 1.00 0.00 H new ATOM 0 HB2 ARG B 35 49.173 -10.591 3.921 1.00 0.00 H new ATOM 0 HB3 ARG B 35 50.052 -12.055 4.315 1.00 0.00 H new ATOM 0 HG2 ARG B 35 47.240 -11.732 5.394 1.00 0.00 H new ATOM 0 HG3 ARG B 35 47.440 -12.145 3.703 1.00 0.00 H new ATOM 0 HD2 ARG B 35 48.861 -14.102 4.332 1.00 0.00 H new ATOM 0 HD3 ARG B 35 48.715 -13.678 6.026 1.00 0.00 H new ATOM 0 HE ARG B 35 46.075 -13.926 4.896 1.00 0.00 H new ATOM 0 HH11 ARG B 35 48.933 -15.748 5.806 1.00 0.00 H new ATOM 0 HH12 ARG B 35 48.036 -17.230 6.156 1.00 0.00 H new ATOM 0 HH21 ARG B 35 44.932 -15.832 5.354 1.00 0.00 H new ATOM 0 HH22 ARG B 35 45.789 -17.277 5.902 1.00 0.00 H new ATOM 1292 N TYR B 36 51.214 -9.167 5.512 1.00 0.00 N ATOM 1293 CA TYR B 36 52.551 -8.591 5.497 1.00 0.00 C ATOM 1294 C TYR B 36 53.010 -8.245 6.911 1.00 0.00 C ATOM 1295 O TYR B 36 54.153 -8.497 7.280 1.00 0.00 O ATOM 1296 CB TYR B 36 52.564 -7.324 4.634 1.00 0.00 C ATOM 1297 CG TYR B 36 52.520 -7.704 3.174 1.00 0.00 C ATOM 1298 CD1 TYR B 36 51.461 -7.273 2.367 1.00 0.00 C ATOM 1299 CD2 TYR B 36 53.540 -8.490 2.627 1.00 0.00 C ATOM 1300 CE1 TYR B 36 51.420 -7.629 1.013 1.00 0.00 C ATOM 1301 CE2 TYR B 36 53.499 -8.846 1.272 1.00 0.00 C ATOM 1302 CZ TYR B 36 52.441 -8.414 0.468 1.00 0.00 C ATOM 1303 OH TYR B 36 52.402 -8.768 -0.866 1.00 0.00 O ATOM 0 H TYR B 36 50.498 -8.595 5.064 1.00 0.00 H new ATOM 0 HA TYR B 36 53.235 -9.329 5.077 1.00 0.00 H new ATOM 0 HB2 TYR B 36 51.709 -6.694 4.882 1.00 0.00 H new ATOM 0 HB3 TYR B 36 53.461 -6.740 4.841 1.00 0.00 H new ATOM 0 HD1 TYR B 36 50.674 -6.665 2.789 1.00 0.00 H new ATOM 0 HD2 TYR B 36 54.358 -8.822 3.248 1.00 0.00 H new ATOM 0 HE1 TYR B 36 50.601 -7.298 0.391 1.00 0.00 H new ATOM 0 HE2 TYR B 36 54.285 -9.454 0.849 1.00 0.00 H new ATOM 0 HH TYR B 36 53.316 -8.887 -1.200 1.00 0.00 H new ATOM 1313 N TYR B 37 52.107 -7.666 7.694 1.00 0.00 N ATOM 1314 CA TYR B 37 52.427 -7.285 9.064 1.00 0.00 C ATOM 1315 C TYR B 37 52.783 -8.511 9.896 1.00 0.00 C ATOM 1316 O TYR B 37 53.811 -8.539 10.573 1.00 0.00 O ATOM 1317 CB TYR B 37 51.238 -6.560 9.698 1.00 0.00 C ATOM 1318 CG TYR B 37 51.573 -6.197 11.124 1.00 0.00 C ATOM 1319 CD1 TYR B 37 52.414 -5.110 11.389 1.00 0.00 C ATOM 1320 CD2 TYR B 37 51.043 -6.945 12.181 1.00 0.00 C ATOM 1321 CE1 TYR B 37 52.725 -4.770 12.710 1.00 0.00 C ATOM 1322 CE2 TYR B 37 51.354 -6.606 13.503 1.00 0.00 C ATOM 1323 CZ TYR B 37 52.196 -5.519 13.768 1.00 0.00 C ATOM 1324 OH TYR B 37 52.501 -5.185 15.072 1.00 0.00 O ATOM 0 H TYR B 37 51.153 -7.451 7.406 1.00 0.00 H new ATOM 0 HA TYR B 37 53.288 -6.617 9.041 1.00 0.00 H new ATOM 0 HB2 TYR B 37 51.001 -5.661 9.129 1.00 0.00 H new ATOM 0 HB3 TYR B 37 50.354 -7.197 9.672 1.00 0.00 H new ATOM 0 HD1 TYR B 37 52.823 -4.533 10.573 1.00 0.00 H new ATOM 0 HD2 TYR B 37 50.394 -7.784 11.977 1.00 0.00 H new ATOM 0 HE1 TYR B 37 53.373 -3.930 12.914 1.00 0.00 H new ATOM 0 HE2 TYR B 37 50.944 -7.183 14.319 1.00 0.00 H new ATOM 0 HH TYR B 37 53.320 -5.649 15.346 1.00 0.00 H new ATOM 1334 N HIS B 38 51.928 -9.527 9.835 1.00 0.00 N ATOM 1335 CA HIS B 38 52.162 -10.754 10.583 1.00 0.00 C ATOM 1336 C HIS B 38 53.433 -11.442 10.100 1.00 0.00 C ATOM 1337 O HIS B 38 54.212 -11.955 10.899 1.00 0.00 O ATOM 1338 CB HIS B 38 50.973 -11.702 10.424 1.00 0.00 C ATOM 1339 CG HIS B 38 49.875 -11.291 11.366 1.00 0.00 C ATOM 1340 ND1 HIS B 38 49.039 -10.216 11.107 1.00 0.00 N ATOM 1341 CD2 HIS B 38 49.461 -11.805 12.571 1.00 0.00 C ATOM 1342 CE1 HIS B 38 48.174 -10.118 12.133 1.00 0.00 C ATOM 1343 NE2 HIS B 38 48.388 -11.062 13.053 1.00 0.00 N ATOM 0 H HIS B 38 51.073 -9.524 9.279 1.00 0.00 H new ATOM 0 HA HIS B 38 52.279 -10.496 11.636 1.00 0.00 H new ATOM 0 HB2 HIS B 38 50.612 -11.680 9.396 1.00 0.00 H new ATOM 0 HB3 HIS B 38 51.281 -12.727 10.632 1.00 0.00 H new ATOM 0 HD1 HIS B 38 49.073 -9.610 10.288 1.00 0.00 H new ATOM 0 HD2 HIS B 38 49.902 -12.656 13.068 1.00 0.00 H new ATOM 0 HE1 HIS B 38 47.401 -9.367 12.204 1.00 0.00 H new ATOM 1352 N GLN B 39 53.634 -11.447 8.786 1.00 0.00 N ATOM 1353 CA GLN B 39 54.812 -12.080 8.209 1.00 0.00 C ATOM 1354 C GLN B 39 56.098 -11.419 8.683 1.00 0.00 C ATOM 1355 O GLN B 39 57.085 -12.093 8.965 1.00 0.00 O ATOM 1356 CB GLN B 39 54.769 -11.966 6.683 1.00 0.00 C ATOM 1357 CG GLN B 39 55.711 -13.003 6.062 1.00 0.00 C ATOM 1358 CD GLN B 39 55.632 -12.935 4.543 1.00 0.00 C ATOM 1359 OE1 GLN B 39 55.897 -11.890 3.950 1.00 0.00 O ATOM 1360 NE2 GLN B 39 55.277 -13.998 3.871 1.00 0.00 N ATOM 0 H GLN B 39 53.002 -11.024 8.107 1.00 0.00 H new ATOM 0 HA GLN B 39 54.803 -13.122 8.528 1.00 0.00 H new ATOM 0 HB2 GLN B 39 53.752 -12.124 6.325 1.00 0.00 H new ATOM 0 HB3 GLN B 39 55.063 -10.963 6.375 1.00 0.00 H new ATOM 0 HG2 GLN B 39 56.734 -12.819 6.390 1.00 0.00 H new ATOM 0 HG3 GLN B 39 55.441 -14.002 6.404 1.00 0.00 H new ATOM 0 HE21 GLN B 39 55.058 -14.863 4.364 1.00 0.00 H new ATOM 0 HE22 GLN B 39 55.219 -13.962 2.853 1.00 0.00 H new ATOM 1369 N LEU B 40 56.070 -10.097 8.804 1.00 0.00 N ATOM 1370 CA LEU B 40 57.233 -9.366 9.297 1.00 0.00 C ATOM 1371 C LEU B 40 57.436 -9.602 10.790 1.00 0.00 C ATOM 1372 O LEU B 40 58.567 -9.708 11.264 1.00 0.00 O ATOM 1373 CB LEU B 40 57.053 -7.870 9.038 1.00 0.00 C ATOM 1374 CG LEU B 40 57.146 -7.600 7.533 1.00 0.00 C ATOM 1375 CD1 LEU B 40 56.743 -6.152 7.247 1.00 0.00 C ATOM 1376 CD2 LEU B 40 58.582 -7.835 7.046 1.00 0.00 C ATOM 0 H LEU B 40 55.266 -9.514 8.571 1.00 0.00 H new ATOM 0 HA LEU B 40 58.113 -9.729 8.766 1.00 0.00 H new ATOM 0 HB2 LEU B 40 56.088 -7.537 9.419 1.00 0.00 H new ATOM 0 HB3 LEU B 40 57.818 -7.303 9.568 1.00 0.00 H new ATOM 0 HG LEU B 40 56.474 -8.278 7.007 1.00 0.00 H new ATOM 0 HD11 LEU B 40 56.809 -5.961 6.176 1.00 0.00 H new ATOM 0 HD12 LEU B 40 55.719 -5.986 7.582 1.00 0.00 H new ATOM 0 HD13 LEU B 40 57.413 -5.476 7.779 1.00 0.00 H new ATOM 0 HD21 LEU B 40 58.639 -7.641 5.975 1.00 0.00 H new ATOM 0 HD22 LEU B 40 59.260 -7.163 7.573 1.00 0.00 H new ATOM 0 HD23 LEU B 40 58.869 -8.868 7.243 1.00 0.00 H new ATOM 1388 N THR B 41 56.334 -9.652 11.527 1.00 0.00 N ATOM 1389 CA THR B 41 56.402 -9.847 12.969 1.00 0.00 C ATOM 1390 C THR B 41 56.599 -11.318 13.311 1.00 0.00 C ATOM 1391 O THR B 41 56.935 -11.659 14.445 1.00 0.00 O ATOM 1392 CB THR B 41 55.116 -9.335 13.624 1.00 0.00 C ATOM 1393 OG1 THR B 41 54.009 -10.078 13.132 1.00 0.00 O ATOM 1394 CG2 THR B 41 54.925 -7.852 13.298 1.00 0.00 C ATOM 0 H THR B 41 55.389 -9.561 11.154 1.00 0.00 H new ATOM 0 HA THR B 41 57.256 -9.286 13.350 1.00 0.00 H new ATOM 0 HB THR B 41 55.186 -9.458 14.705 1.00 0.00 H new ATOM 0 HG1 THR B 41 54.306 -10.665 12.405 1.00 0.00 H new ATOM 0 HG21 THR B 41 54.009 -7.492 13.766 1.00 0.00 H new ATOM 0 HG22 THR B 41 55.774 -7.284 13.678 1.00 0.00 H new ATOM 0 HG23 THR B 41 54.856 -7.723 12.218 1.00 0.00 H new ATOM 1402 N GLU B 42 56.388 -12.184 12.322 1.00 0.00 N ATOM 1403 CA GLU B 42 56.546 -13.620 12.527 1.00 0.00 C ATOM 1404 C GLU B 42 57.647 -14.176 11.630 1.00 0.00 C ATOM 1405 O GLU B 42 58.717 -14.552 12.109 1.00 0.00 O ATOM 1406 CB GLU B 42 55.229 -14.336 12.225 1.00 0.00 C ATOM 1407 CG GLU B 42 54.135 -13.813 13.159 1.00 0.00 C ATOM 1408 CD GLU B 42 54.417 -14.263 14.590 1.00 0.00 C ATOM 1409 OE1 GLU B 42 55.215 -15.170 14.758 1.00 0.00 O ATOM 1410 OE2 GLU B 42 53.828 -13.695 15.495 1.00 0.00 O ATOM 0 H GLU B 42 56.109 -11.918 11.378 1.00 0.00 H new ATOM 0 HA GLU B 42 56.824 -13.790 13.567 1.00 0.00 H new ATOM 0 HB2 GLU B 42 54.944 -14.171 11.186 1.00 0.00 H new ATOM 0 HB3 GLU B 42 55.350 -15.411 12.356 1.00 0.00 H new ATOM 0 HG2 GLU B 42 54.094 -12.725 13.112 1.00 0.00 H new ATOM 0 HG3 GLU B 42 53.162 -14.183 12.837 1.00 0.00 H new ATOM 1417 N GLY B 43 57.376 -14.227 10.332 1.00 0.00 N ATOM 1418 CA GLY B 43 58.420 -14.585 9.364 1.00 0.00 C ATOM 1419 C GLY B 43 57.955 -15.898 8.750 1.00 0.00 C ATOM 1420 O GLY B 43 56.756 -16.175 8.685 1.00 0.00 O ATOM 0 H GLY B 43 56.462 -14.030 9.925 1.00 0.00 H new ATOM 0 HA2 GLY B 43 58.535 -13.813 8.604 1.00 0.00 H new ATOM 0 HA3 GLY B 43 59.388 -14.698 9.852 1.00 0.00 H new ATOM 1424 N CYS B 44 58.910 -16.708 8.307 1.00 0.00 N ATOM 1425 CA CYS B 44 58.585 -17.996 7.704 1.00 0.00 C ATOM 1426 C CYS B 44 58.757 -19.123 8.719 1.00 0.00 C ATOM 1427 O CYS B 44 58.302 -20.246 8.498 1.00 0.00 O ATOM 1428 CB CYS B 44 59.490 -18.252 6.496 1.00 0.00 C ATOM 1429 SG CYS B 44 61.153 -17.614 6.827 1.00 0.00 S ATOM 0 H CYS B 44 59.907 -16.499 8.353 1.00 0.00 H new ATOM 0 HA CYS B 44 57.545 -17.971 7.379 1.00 0.00 H new ATOM 0 HB2 CYS B 44 59.536 -19.320 6.285 1.00 0.00 H new ATOM 0 HB3 CYS B 44 59.075 -17.770 5.611 1.00 0.00 H new ATOM 0 HG CYS B 44 61.229 -16.377 6.435 1.00 0.00 H new ATOM 1434 N GLY B 45 59.404 -18.811 9.834 1.00 0.00 N ATOM 1435 CA GLY B 45 59.620 -19.799 10.885 1.00 0.00 C ATOM 1436 C GLY B 45 60.933 -20.543 10.674 1.00 0.00 C ATOM 1437 O GLY B 45 61.466 -21.157 11.597 1.00 0.00 O ATOM 0 H GLY B 45 59.787 -17.887 10.035 1.00 0.00 H new ATOM 0 HA2 GLY B 45 59.630 -19.305 11.857 1.00 0.00 H new ATOM 0 HA3 GLY B 45 58.793 -20.509 10.897 1.00 0.00 H new ATOM 1441 N ASN B 46 61.452 -20.483 9.452 1.00 0.00 N ATOM 1442 CA ASN B 46 62.702 -21.155 9.128 1.00 0.00 C ATOM 1443 C ASN B 46 63.878 -20.433 9.776 1.00 0.00 C ATOM 1444 O ASN B 46 63.895 -19.205 9.863 1.00 0.00 O ATOM 1445 CB ASN B 46 62.897 -21.194 7.611 1.00 0.00 C ATOM 1446 CG ASN B 46 61.885 -22.146 6.980 1.00 0.00 C ATOM 1447 OD1 ASN B 46 61.328 -23.005 7.664 1.00 0.00 O ATOM 1448 ND2 ASN B 46 61.615 -22.046 5.706 1.00 0.00 N ATOM 0 H ASN B 46 61.028 -19.978 8.674 1.00 0.00 H new ATOM 0 HA ASN B 46 62.657 -22.174 9.513 1.00 0.00 H new ATOM 0 HB2 ASN B 46 62.777 -20.194 7.195 1.00 0.00 H new ATOM 0 HB3 ASN B 46 63.910 -21.518 7.374 1.00 0.00 H new ATOM 0 HD21 ASN B 46 60.942 -22.680 5.276 1.00 0.00 H new ATOM 0 HD22 ASN B 46 62.077 -21.334 5.141 1.00 0.00 H new ATOM 1455 N GLU B 47 64.861 -21.202 10.225 1.00 0.00 N ATOM 1456 CA GLU B 47 66.041 -20.626 10.862 1.00 0.00 C ATOM 1457 C GLU B 47 66.790 -19.724 9.887 1.00 0.00 C ATOM 1458 O GLU B 47 67.598 -18.889 10.294 1.00 0.00 O ATOM 1459 CB GLU B 47 66.968 -21.743 11.349 1.00 0.00 C ATOM 1460 CG GLU B 47 67.470 -22.551 10.151 1.00 0.00 C ATOM 1461 CD GLU B 47 68.256 -23.765 10.633 1.00 0.00 C ATOM 1462 OE1 GLU B 47 68.400 -23.912 11.835 1.00 0.00 O ATOM 1463 OE2 GLU B 47 68.700 -24.529 9.792 1.00 0.00 O ATOM 0 H GLU B 47 64.867 -22.220 10.161 1.00 0.00 H new ATOM 0 HA GLU B 47 65.717 -20.027 11.713 1.00 0.00 H new ATOM 0 HB2 GLU B 47 67.811 -21.318 11.893 1.00 0.00 H new ATOM 0 HB3 GLU B 47 66.436 -22.394 12.043 1.00 0.00 H new ATOM 0 HG2 GLU B 47 66.627 -22.873 9.540 1.00 0.00 H new ATOM 0 HG3 GLU B 47 68.101 -21.926 9.519 1.00 0.00 H new ATOM 1470 N ALA B 48 66.515 -19.899 8.598 1.00 0.00 N ATOM 1471 CA ALA B 48 67.169 -19.093 7.574 1.00 0.00 C ATOM 1472 C ALA B 48 66.193 -18.759 6.451 1.00 0.00 C ATOM 1473 O ALA B 48 65.269 -19.523 6.171 1.00 0.00 O ATOM 1474 CB ALA B 48 68.367 -19.851 6.999 1.00 0.00 C ATOM 0 H ALA B 48 65.850 -20.585 8.241 1.00 0.00 H new ATOM 0 HA ALA B 48 67.511 -18.165 8.033 1.00 0.00 H new ATOM 0 HB1 ALA B 48 68.850 -19.242 6.235 1.00 0.00 H new ATOM 0 HB2 ALA B 48 69.079 -20.065 7.796 1.00 0.00 H new ATOM 0 HB3 ALA B 48 68.027 -20.787 6.556 1.00 0.00 H new ATOM 1480 N CYS B 49 66.400 -17.610 5.815 1.00 0.00 N ATOM 1481 CA CYS B 49 65.527 -17.183 4.730 1.00 0.00 C ATOM 1482 C CYS B 49 66.338 -16.510 3.626 1.00 0.00 C ATOM 1483 O CYS B 49 67.237 -15.716 3.899 1.00 0.00 O ATOM 1484 CB CYS B 49 64.472 -16.210 5.257 1.00 0.00 C ATOM 1485 SG CYS B 49 63.288 -15.840 3.943 1.00 0.00 S ATOM 0 H CYS B 49 67.159 -16.963 6.031 1.00 0.00 H new ATOM 0 HA CYS B 49 65.032 -18.063 4.319 1.00 0.00 H new ATOM 0 HB2 CYS B 49 63.957 -16.644 6.114 1.00 0.00 H new ATOM 0 HB3 CYS B 49 64.948 -15.292 5.602 1.00 0.00 H new ATOM 0 HG CYS B 49 62.190 -15.381 4.465 1.00 0.00 H new ATOM 1490 N THR B 50 66.021 -16.841 2.379 1.00 0.00 N ATOM 1491 CA THR B 50 66.732 -16.270 1.241 1.00 0.00 C ATOM 1492 C THR B 50 66.013 -15.026 0.728 1.00 0.00 C ATOM 1493 O THR B 50 66.432 -14.418 -0.258 1.00 0.00 O ATOM 1494 CB THR B 50 66.833 -17.303 0.115 1.00 0.00 C ATOM 1495 OG1 THR B 50 65.528 -17.669 -0.309 1.00 0.00 O ATOM 1496 CG2 THR B 50 67.573 -18.543 0.623 1.00 0.00 C ATOM 0 H THR B 50 65.281 -17.498 2.131 1.00 0.00 H new ATOM 0 HA THR B 50 67.733 -15.989 1.567 1.00 0.00 H new ATOM 0 HB THR B 50 67.380 -16.874 -0.724 1.00 0.00 H new ATOM 0 HG1 THR B 50 65.592 -18.329 -1.031 1.00 0.00 H new ATOM 0 HG21 THR B 50 67.645 -19.278 -0.179 1.00 0.00 H new ATOM 0 HG22 THR B 50 68.575 -18.261 0.948 1.00 0.00 H new ATOM 0 HG23 THR B 50 67.027 -18.974 1.462 1.00 0.00 H new ATOM 1504 N ASN B 51 64.932 -14.647 1.406 1.00 0.00 N ATOM 1505 CA ASN B 51 64.164 -13.475 1.013 1.00 0.00 C ATOM 1506 C ASN B 51 64.570 -12.267 1.849 1.00 0.00 C ATOM 1507 O ASN B 51 64.433 -12.272 3.072 1.00 0.00 O ATOM 1508 CB ASN B 51 62.671 -13.747 1.186 1.00 0.00 C ATOM 1509 CG ASN B 51 61.859 -12.600 0.591 1.00 0.00 C ATOM 1510 OD1 ASN B 51 62.271 -11.442 0.666 1.00 0.00 O ATOM 1511 ND2 ASN B 51 60.726 -12.854 -0.003 1.00 0.00 N ATOM 0 H ASN B 51 64.572 -15.134 2.226 1.00 0.00 H new ATOM 0 HA ASN B 51 64.370 -13.260 -0.036 1.00 0.00 H new ATOM 0 HB2 ASN B 51 62.405 -14.684 0.697 1.00 0.00 H new ATOM 0 HB3 ASN B 51 62.434 -13.861 2.244 1.00 0.00 H new ATOM 0 HD21 ASN B 51 60.180 -12.093 -0.406 1.00 0.00 H new ATOM 0 HD22 ASN B 51 60.386 -13.814 -0.064 1.00 0.00 H new ATOM 1518 N GLU B 52 65.079 -11.237 1.182 1.00 0.00 N ATOM 1519 CA GLU B 52 65.511 -10.030 1.877 1.00 0.00 C ATOM 1520 C GLU B 52 64.340 -9.396 2.618 1.00 0.00 C ATOM 1521 O GLU B 52 64.498 -8.891 3.730 1.00 0.00 O ATOM 1522 CB GLU B 52 66.082 -9.027 0.871 1.00 0.00 C ATOM 1523 CG GLU B 52 66.406 -9.744 -0.441 1.00 0.00 C ATOM 1524 CD GLU B 52 67.592 -10.681 -0.244 1.00 0.00 C ATOM 1525 OE1 GLU B 52 68.278 -10.534 0.753 1.00 0.00 O ATOM 1526 OE2 GLU B 52 67.798 -11.528 -1.097 1.00 0.00 O ATOM 0 H GLU B 52 65.202 -11.213 0.170 1.00 0.00 H new ATOM 0 HA GLU B 52 66.282 -10.301 2.598 1.00 0.00 H new ATOM 0 HB2 GLU B 52 65.364 -8.227 0.692 1.00 0.00 H new ATOM 0 HB3 GLU B 52 66.982 -8.563 1.275 1.00 0.00 H new ATOM 0 HG2 GLU B 52 65.538 -10.309 -0.780 1.00 0.00 H new ATOM 0 HG3 GLU B 52 66.634 -9.014 -1.217 1.00 0.00 H new ATOM 1533 N PHE B 53 63.166 -9.419 1.996 1.00 0.00 N ATOM 1534 CA PHE B 53 61.981 -8.837 2.613 1.00 0.00 C ATOM 1535 C PHE B 53 61.185 -9.900 3.363 1.00 0.00 C ATOM 1536 O PHE B 53 60.016 -10.143 3.062 1.00 0.00 O ATOM 1537 CB PHE B 53 61.095 -8.203 1.537 1.00 0.00 C ATOM 1538 CG PHE B 53 61.949 -7.386 0.599 1.00 0.00 C ATOM 1539 CD1 PHE B 53 62.125 -7.802 -0.727 1.00 0.00 C ATOM 1540 CD2 PHE B 53 62.567 -6.215 1.053 1.00 0.00 C ATOM 1541 CE1 PHE B 53 62.919 -7.047 -1.597 1.00 0.00 C ATOM 1542 CE2 PHE B 53 63.361 -5.460 0.182 1.00 0.00 C ATOM 1543 CZ PHE B 53 63.537 -5.875 -1.144 1.00 0.00 C ATOM 0 H PHE B 53 63.011 -9.830 1.075 1.00 0.00 H new ATOM 0 HA PHE B 53 62.302 -8.074 3.322 1.00 0.00 H new ATOM 0 HB2 PHE B 53 60.567 -8.979 0.982 1.00 0.00 H new ATOM 0 HB3 PHE B 53 60.338 -7.571 2.000 1.00 0.00 H new ATOM 0 HD1 PHE B 53 61.648 -8.705 -1.078 1.00 0.00 H new ATOM 0 HD2 PHE B 53 62.431 -5.894 2.075 1.00 0.00 H new ATOM 0 HE1 PHE B 53 63.055 -7.368 -2.619 1.00 0.00 H new ATOM 0 HE2 PHE B 53 63.838 -4.557 0.533 1.00 0.00 H new ATOM 0 HZ PHE B 53 64.149 -5.292 -1.816 1.00 0.00 H new ATOM 1553 N CYS B 54 61.824 -10.526 4.349 1.00 0.00 N ATOM 1554 CA CYS B 54 61.162 -11.549 5.147 1.00 0.00 C ATOM 1555 C CYS B 54 61.801 -11.648 6.530 1.00 0.00 C ATOM 1556 O CYS B 54 63.023 -11.581 6.664 1.00 0.00 O ATOM 1557 CB CYS B 54 61.253 -12.899 4.447 1.00 0.00 C ATOM 1558 SG CYS B 54 60.289 -14.118 5.373 1.00 0.00 S ATOM 0 H CYS B 54 62.793 -10.343 4.611 1.00 0.00 H new ATOM 0 HA CYS B 54 60.115 -11.270 5.261 1.00 0.00 H new ATOM 0 HB2 CYS B 54 60.876 -12.819 3.427 1.00 0.00 H new ATOM 0 HB3 CYS B 54 62.293 -13.217 4.379 1.00 0.00 H new ATOM 0 HG CYS B 54 60.815 -14.284 6.550 1.00 0.00 H new ATOM 1563 N ALA B 55 60.970 -11.814 7.551 1.00 0.00 N ATOM 1564 CA ALA B 55 61.462 -11.929 8.917 1.00 0.00 C ATOM 1565 C ALA B 55 62.200 -13.249 9.107 1.00 0.00 C ATOM 1566 O ALA B 55 62.049 -14.176 8.315 1.00 0.00 O ATOM 1567 CB ALA B 55 60.299 -11.845 9.905 1.00 0.00 C ATOM 0 H ALA B 55 59.956 -11.872 7.459 1.00 0.00 H new ATOM 0 HA ALA B 55 62.152 -11.107 9.104 1.00 0.00 H new ATOM 0 HB1 ALA B 55 60.679 -11.932 10.923 1.00 0.00 H new ATOM 0 HB2 ALA B 55 59.791 -10.888 9.788 1.00 0.00 H new ATOM 0 HB3 ALA B 55 59.596 -12.655 9.710 1.00 0.00 H new ATOM 1573 N SER B 56 63.002 -13.322 10.160 1.00 0.00 N ATOM 1574 CA SER B 56 63.781 -14.525 10.464 1.00 0.00 C ATOM 1575 C SER B 56 64.975 -14.638 9.526 1.00 0.00 C ATOM 1576 O SER B 56 65.582 -15.705 9.408 1.00 0.00 O ATOM 1577 CB SER B 56 62.904 -15.771 10.321 1.00 0.00 C ATOM 1578 OG SER B 56 63.261 -16.716 11.320 1.00 0.00 O ATOM 0 H SER B 56 63.134 -12.560 10.825 1.00 0.00 H new ATOM 0 HA SER B 56 64.140 -14.450 11.490 1.00 0.00 H new ATOM 0 HB2 SER B 56 61.852 -15.502 10.418 1.00 0.00 H new ATOM 0 HB3 SER B 56 63.031 -16.207 9.330 1.00 0.00 H new ATOM 0 HG SER B 56 63.483 -17.571 10.897 1.00 0.00 H new ATOM 1584 N CYS B 57 65.308 -13.529 8.863 1.00 0.00 N ATOM 1585 CA CYS B 57 66.430 -13.521 7.940 1.00 0.00 C ATOM 1586 C CYS B 57 67.599 -12.693 8.528 1.00 0.00 C ATOM 1587 O CYS B 57 67.382 -11.753 9.296 1.00 0.00 O ATOM 1588 CB CYS B 57 65.992 -12.944 6.592 1.00 0.00 C ATOM 1589 SG CYS B 57 66.663 -11.277 6.398 1.00 0.00 S ATOM 0 H CYS B 57 64.820 -12.638 8.950 1.00 0.00 H new ATOM 0 HA CYS B 57 66.773 -14.545 7.788 1.00 0.00 H new ATOM 0 HB2 CYS B 57 66.340 -13.584 5.781 1.00 0.00 H new ATOM 0 HB3 CYS B 57 64.904 -12.918 6.533 1.00 0.00 H new ATOM 0 HG CYS B 57 66.049 -10.673 5.425 1.00 0.00 H new ATOM 1595 N PRO B 58 68.812 -13.023 8.170 1.00 0.00 N ATOM 1596 CA PRO B 58 70.024 -12.301 8.656 1.00 0.00 C ATOM 1597 C PRO B 58 70.118 -10.884 8.100 1.00 0.00 C ATOM 1598 O PRO B 58 70.749 -10.013 8.697 1.00 0.00 O ATOM 1599 CB PRO B 58 71.183 -13.167 8.157 1.00 0.00 C ATOM 1600 CG PRO B 58 70.643 -13.902 6.977 1.00 0.00 C ATOM 1601 CD PRO B 58 69.167 -14.121 7.256 1.00 0.00 C ATOM 0 HA PRO B 58 70.017 -12.173 9.738 1.00 0.00 H new ATOM 0 HB2 PRO B 58 72.041 -12.555 7.880 1.00 0.00 H new ATOM 0 HB3 PRO B 58 71.520 -13.857 8.930 1.00 0.00 H new ATOM 0 HG2 PRO B 58 70.785 -13.328 6.062 1.00 0.00 H new ATOM 0 HG3 PRO B 58 71.159 -14.852 6.840 1.00 0.00 H new ATOM 0 HD2 PRO B 58 68.578 -14.084 6.340 1.00 0.00 H new ATOM 0 HD3 PRO B 58 68.987 -15.094 7.712 1.00 0.00 H new ATOM 1609 N THR B 59 69.496 -10.665 6.947 1.00 0.00 N ATOM 1610 CA THR B 59 69.390 -9.309 6.401 1.00 0.00 C ATOM 1611 C THR B 59 68.178 -8.457 6.824 1.00 0.00 C ATOM 1612 O THR B 59 67.818 -7.470 6.185 1.00 0.00 O ATOM 1613 CB THR B 59 69.398 -9.461 4.877 1.00 0.00 C ATOM 1614 OG1 THR B 59 68.110 -9.868 4.437 1.00 0.00 O ATOM 1615 CG2 THR B 59 70.434 -10.511 4.469 1.00 0.00 C ATOM 0 H THR B 59 69.063 -11.392 6.378 1.00 0.00 H new ATOM 0 HA THR B 59 70.230 -8.750 6.813 1.00 0.00 H new ATOM 0 HB THR B 59 69.655 -8.506 4.419 1.00 0.00 H new ATOM 0 HG1 THR B 59 67.760 -10.556 5.041 1.00 0.00 H new ATOM 0 HG21 THR B 59 70.437 -10.617 3.384 1.00 0.00 H new ATOM 0 HG22 THR B 59 71.422 -10.197 4.806 1.00 0.00 H new ATOM 0 HG23 THR B 59 70.182 -11.468 4.926 1.00 0.00 H new ATOM 1623 N PHE B 60 67.537 -8.899 7.904 1.00 0.00 N ATOM 1624 CA PHE B 60 66.251 -8.315 8.299 1.00 0.00 C ATOM 1625 C PHE B 60 66.291 -8.194 9.817 1.00 0.00 C ATOM 1626 O PHE B 60 66.519 -9.178 10.522 1.00 0.00 O ATOM 1627 CB PHE B 60 65.008 -9.102 7.882 1.00 0.00 C ATOM 1628 CG PHE B 60 63.773 -8.406 8.399 1.00 0.00 C ATOM 1629 CD1 PHE B 60 63.220 -7.336 7.682 1.00 0.00 C ATOM 1630 CD2 PHE B 60 63.182 -8.827 9.594 1.00 0.00 C ATOM 1631 CE1 PHE B 60 62.077 -6.690 8.164 1.00 0.00 C ATOM 1632 CE2 PHE B 60 62.037 -8.181 10.075 1.00 0.00 C ATOM 1633 CZ PHE B 60 61.484 -7.113 9.359 1.00 0.00 C ATOM 0 H PHE B 60 67.876 -9.644 8.512 1.00 0.00 H new ATOM 0 HA PHE B 60 66.148 -7.362 7.780 1.00 0.00 H new ATOM 0 HB2 PHE B 60 64.964 -9.184 6.796 1.00 0.00 H new ATOM 0 HB3 PHE B 60 65.058 -10.117 8.276 1.00 0.00 H new ATOM 0 HD1 PHE B 60 63.676 -7.011 6.759 1.00 0.00 H new ATOM 0 HD2 PHE B 60 63.609 -9.651 10.146 1.00 0.00 H new ATOM 0 HE1 PHE B 60 61.652 -5.864 7.613 1.00 0.00 H new ATOM 0 HE2 PHE B 60 61.581 -8.507 10.998 1.00 0.00 H new ATOM 0 HZ PHE B 60 60.600 -6.615 9.729 1.00 0.00 H new ATOM 1643 N LEU B 61 66.068 -6.982 10.312 1.00 0.00 N ATOM 1644 CA LEU B 61 66.081 -6.741 11.748 1.00 0.00 C ATOM 1645 C LEU B 61 64.656 -6.630 12.283 1.00 0.00 C ATOM 1646 O LEU B 61 63.825 -5.921 11.719 1.00 0.00 O ATOM 1647 CB LEU B 61 66.852 -5.452 12.060 1.00 0.00 C ATOM 1648 CG LEU B 61 66.847 -5.195 13.572 1.00 0.00 C ATOM 1649 CD1 LEU B 61 67.533 -6.359 14.293 1.00 0.00 C ATOM 1650 CD2 LEU B 61 67.595 -3.899 13.870 1.00 0.00 C ATOM 0 H LEU B 61 65.877 -6.157 9.744 1.00 0.00 H new ATOM 0 HA LEU B 61 66.576 -7.582 12.234 1.00 0.00 H new ATOM 0 HB2 LEU B 61 67.877 -5.535 11.700 1.00 0.00 H new ATOM 0 HB3 LEU B 61 66.397 -4.610 11.538 1.00 0.00 H new ATOM 0 HG LEU B 61 65.818 -5.110 13.921 1.00 0.00 H new ATOM 0 HD11 LEU B 61 67.529 -6.175 15.367 1.00 0.00 H new ATOM 0 HD12 LEU B 61 66.997 -7.284 14.081 1.00 0.00 H new ATOM 0 HD13 LEU B 61 68.562 -6.447 13.944 1.00 0.00 H new ATOM 0 HD21 LEU B 61 67.592 -3.716 14.944 1.00 0.00 H new ATOM 0 HD22 LEU B 61 68.624 -3.984 13.519 1.00 0.00 H new ATOM 0 HD23 LEU B 61 67.105 -3.070 13.359 1.00 0.00 H new ATOM 1662 N ARG B 62 64.383 -7.335 13.376 1.00 0.00 N ATOM 1663 CA ARG B 62 63.056 -7.310 13.975 1.00 0.00 C ATOM 1664 C ARG B 62 62.542 -5.883 14.070 1.00 0.00 C ATOM 1665 O ARG B 62 63.277 -4.972 14.445 1.00 0.00 O ATOM 1666 CB ARG B 62 63.112 -7.922 15.378 1.00 0.00 C ATOM 1667 CG ARG B 62 63.627 -9.364 15.298 1.00 0.00 C ATOM 1668 CD ARG B 62 62.479 -10.308 14.934 1.00 0.00 C ATOM 1669 NE ARG B 62 62.945 -11.686 14.925 1.00 0.00 N ATOM 1670 CZ ARG B 62 62.123 -12.683 14.616 1.00 0.00 C ATOM 1671 NH1 ARG B 62 60.877 -12.434 14.317 1.00 0.00 N ATOM 1672 NH2 ARG B 62 62.562 -13.912 14.612 1.00 0.00 N ATOM 0 H ARG B 62 65.058 -7.926 13.861 1.00 0.00 H new ATOM 0 HA ARG B 62 62.380 -7.889 13.346 1.00 0.00 H new ATOM 0 HB2 ARG B 62 63.765 -7.328 16.017 1.00 0.00 H new ATOM 0 HB3 ARG B 62 62.121 -7.905 15.831 1.00 0.00 H new ATOM 0 HG2 ARG B 62 64.419 -9.436 14.552 1.00 0.00 H new ATOM 0 HG3 ARG B 62 64.062 -9.658 16.253 1.00 0.00 H new ATOM 0 HD2 ARG B 62 61.666 -10.196 15.651 1.00 0.00 H new ATOM 0 HD3 ARG B 62 62.079 -10.045 13.955 1.00 0.00 H new ATOM 0 HE ARG B 62 63.917 -11.890 15.159 1.00 0.00 H new ATOM 0 HH11 ARG B 62 60.534 -11.473 14.320 1.00 0.00 H new ATOM 0 HH12 ARG B 62 60.247 -13.200 14.080 1.00 0.00 H new ATOM 0 HH21 ARG B 62 63.536 -14.107 14.846 1.00 0.00 H new ATOM 0 HH22 ARG B 62 61.932 -14.678 14.375 1.00 0.00 H new ATOM 1686 N MET B 63 61.273 -5.698 13.713 1.00 0.00 N ATOM 1687 CA MET B 63 60.660 -4.375 13.745 1.00 0.00 C ATOM 1688 C MET B 63 59.558 -4.314 14.796 1.00 0.00 C ATOM 1689 O MET B 63 58.876 -5.305 15.051 1.00 0.00 O ATOM 1690 CB MET B 63 60.073 -4.039 12.372 1.00 0.00 C ATOM 1691 CG MET B 63 61.173 -4.081 11.312 1.00 0.00 C ATOM 1692 SD MET B 63 62.419 -2.816 11.674 1.00 0.00 S ATOM 1693 CE MET B 63 63.472 -3.111 10.236 1.00 0.00 C ATOM 0 H MET B 63 60.653 -6.445 13.400 1.00 0.00 H new ATOM 0 HA MET B 63 61.430 -3.648 14.002 1.00 0.00 H new ATOM 0 HB2 MET B 63 59.285 -4.749 12.120 1.00 0.00 H new ATOM 0 HB3 MET B 63 59.615 -3.050 12.395 1.00 0.00 H new ATOM 0 HG2 MET B 63 61.637 -5.067 11.294 1.00 0.00 H new ATOM 0 HG3 MET B 63 60.746 -3.912 10.324 1.00 0.00 H new ATOM 0 HE1 MET B 63 64.507 -3.219 10.559 1.00 0.00 H new ATOM 0 HE2 MET B 63 63.153 -4.023 9.732 1.00 0.00 H new ATOM 0 HE3 MET B 63 63.392 -2.269 9.548 1.00 0.00 H new ATOM 1703 N ASP B 64 59.385 -3.140 15.393 1.00 0.00 N ATOM 1704 CA ASP B 64 58.357 -2.950 16.407 1.00 0.00 C ATOM 1705 C ASP B 64 56.973 -3.018 15.770 1.00 0.00 C ATOM 1706 O ASP B 64 56.849 -3.157 14.557 1.00 0.00 O ATOM 1707 CB ASP B 64 58.581 -1.631 17.145 1.00 0.00 C ATOM 1708 CG ASP B 64 59.800 -1.742 18.054 1.00 0.00 C ATOM 1709 OD1 ASP B 64 60.263 -2.852 18.257 1.00 0.00 O ATOM 1710 OD2 ASP B 64 60.251 -0.716 18.536 1.00 0.00 O ATOM 0 H ASP B 64 59.942 -2.309 15.193 1.00 0.00 H new ATOM 0 HA ASP B 64 58.421 -3.752 17.142 1.00 0.00 H new ATOM 0 HB2 ASP B 64 58.725 -0.823 16.427 1.00 0.00 H new ATOM 0 HB3 ASP B 64 57.699 -1.380 17.735 1.00 0.00 H new ATOM 1715 N ASN B 65 55.942 -2.868 16.591 1.00 0.00 N ATOM 1716 CA ASN B 65 54.573 -2.862 16.088 1.00 0.00 C ATOM 1717 C ASN B 65 54.347 -1.679 15.154 1.00 0.00 C ATOM 1718 O ASN B 65 53.708 -1.812 14.113 1.00 0.00 O ATOM 1719 CB ASN B 65 53.588 -2.780 17.260 1.00 0.00 C ATOM 1720 CG ASN B 65 53.553 -4.107 18.011 1.00 0.00 C ATOM 1721 OD1 ASN B 65 53.931 -5.141 17.463 1.00 0.00 O ATOM 1722 ND2 ASN B 65 53.118 -4.138 19.241 1.00 0.00 N ATOM 0 H ASN B 65 56.025 -2.750 17.601 1.00 0.00 H new ATOM 0 HA ASN B 65 54.408 -3.785 15.533 1.00 0.00 H new ATOM 0 HB2 ASN B 65 53.883 -1.978 17.937 1.00 0.00 H new ATOM 0 HB3 ASN B 65 52.592 -2.536 16.891 1.00 0.00 H new ATOM 0 HD21 ASN B 65 53.091 -5.021 19.750 1.00 0.00 H new ATOM 0 HD22 ASN B 65 52.805 -3.279 19.693 1.00 0.00 H new ATOM 1729 N ASN B 66 54.894 -0.531 15.521 1.00 0.00 N ATOM 1730 CA ASN B 66 54.762 0.664 14.702 1.00 0.00 C ATOM 1731 C ASN B 66 55.665 0.577 13.477 1.00 0.00 C ATOM 1732 O ASN B 66 55.252 0.908 12.367 1.00 0.00 O ATOM 1733 CB ASN B 66 55.126 1.905 15.523 1.00 0.00 C ATOM 1734 CG ASN B 66 56.310 1.602 16.437 1.00 0.00 C ATOM 1735 OD1 ASN B 66 57.370 1.191 15.971 1.00 0.00 O ATOM 1736 ND2 ASN B 66 56.190 1.779 17.723 1.00 0.00 N ATOM 0 H ASN B 66 55.432 -0.401 16.378 1.00 0.00 H new ATOM 0 HA ASN B 66 53.727 0.741 14.370 1.00 0.00 H new ATOM 0 HB2 ASN B 66 55.373 2.731 14.857 1.00 0.00 H new ATOM 0 HB3 ASN B 66 54.269 2.221 16.118 1.00 0.00 H new ATOM 0 HD21 ASN B 66 56.976 1.576 18.341 1.00 0.00 H new ATOM 0 HD22 ASN B 66 55.311 2.120 18.111 1.00 0.00 H new ATOM 1743 N ALA B 67 56.895 0.124 13.685 1.00 0.00 N ATOM 1744 CA ALA B 67 57.848 -0.003 12.586 1.00 0.00 C ATOM 1745 C ALA B 67 57.359 -1.029 11.570 1.00 0.00 C ATOM 1746 O ALA B 67 57.515 -0.845 10.362 1.00 0.00 O ATOM 1747 CB ALA B 67 59.215 -0.423 13.126 1.00 0.00 C ATOM 0 H ALA B 67 57.255 -0.160 14.596 1.00 0.00 H new ATOM 0 HA ALA B 67 57.937 0.965 12.092 1.00 0.00 H new ATOM 0 HB1 ALA B 67 59.920 -0.515 12.300 1.00 0.00 H new ATOM 0 HB2 ALA B 67 59.575 0.329 13.828 1.00 0.00 H new ATOM 0 HB3 ALA B 67 59.126 -1.382 13.636 1.00 0.00 H new ATOM 1753 N ALA B 68 56.763 -2.110 12.069 1.00 0.00 N ATOM 1754 CA ALA B 68 56.345 -3.203 11.202 1.00 0.00 C ATOM 1755 C ALA B 68 55.163 -2.697 10.385 1.00 0.00 C ATOM 1756 O ALA B 68 55.023 -3.032 9.207 1.00 0.00 O ATOM 1757 CB ALA B 68 55.915 -4.408 12.038 1.00 0.00 C ATOM 0 H ALA B 68 56.561 -2.250 13.059 1.00 0.00 H new ATOM 0 HA ALA B 68 57.165 -3.516 10.556 1.00 0.00 H new ATOM 0 HB1 ALA B 68 55.605 -5.217 11.377 1.00 0.00 H new ATOM 0 HB2 ALA B 68 56.751 -4.741 12.653 1.00 0.00 H new ATOM 0 HB3 ALA B 68 55.082 -4.126 12.681 1.00 0.00 H new ATOM 1763 N ALA B 69 54.306 -1.898 11.020 1.00 0.00 N ATOM 1764 CA ALA B 69 53.131 -1.368 10.337 1.00 0.00 C ATOM 1765 C ALA B 69 53.540 -0.529 9.130 1.00 0.00 C ATOM 1766 O ALA B 69 52.941 -0.629 8.062 1.00 0.00 O ATOM 1767 CB ALA B 69 52.315 -0.510 11.305 1.00 0.00 C ATOM 0 H ALA B 69 54.402 -1.608 11.993 1.00 0.00 H new ATOM 0 HA ALA B 69 52.526 -2.206 9.990 1.00 0.00 H new ATOM 0 HB1 ALA B 69 51.438 -0.116 10.791 1.00 0.00 H new ATOM 0 HB2 ALA B 69 51.997 -1.119 12.151 1.00 0.00 H new ATOM 0 HB3 ALA B 69 52.928 0.317 11.663 1.00 0.00 H new ATOM 1773 N ILE B 70 54.569 0.284 9.303 1.00 0.00 N ATOM 1774 CA ILE B 70 55.060 1.125 8.219 1.00 0.00 C ATOM 1775 C ILE B 70 55.632 0.266 7.103 1.00 0.00 C ATOM 1776 O ILE B 70 55.353 0.498 5.926 1.00 0.00 O ATOM 1777 CB ILE B 70 56.132 2.088 8.748 1.00 0.00 C ATOM 1778 CG1 ILE B 70 55.475 3.408 9.169 1.00 0.00 C ATOM 1779 CG2 ILE B 70 57.168 2.366 7.650 1.00 0.00 C ATOM 1780 CD1 ILE B 70 54.268 3.123 10.067 1.00 0.00 C ATOM 0 H ILE B 70 55.081 0.381 10.180 1.00 0.00 H new ATOM 0 HA ILE B 70 54.228 1.705 7.820 1.00 0.00 H new ATOM 0 HB ILE B 70 56.626 1.634 9.607 1.00 0.00 H new ATOM 0 HG12 ILE B 70 56.196 4.031 9.699 1.00 0.00 H new ATOM 0 HG13 ILE B 70 55.160 3.966 8.287 1.00 0.00 H new ATOM 0 HG21 ILE B 70 57.927 3.050 8.030 1.00 0.00 H new ATOM 0 HG22 ILE B 70 57.640 1.431 7.350 1.00 0.00 H new ATOM 0 HG23 ILE B 70 56.674 2.815 6.789 1.00 0.00 H new ATOM 0 HD11 ILE B 70 53.805 4.064 10.363 1.00 0.00 H new ATOM 0 HD12 ILE B 70 53.544 2.518 9.522 1.00 0.00 H new ATOM 0 HD13 ILE B 70 54.595 2.584 10.956 1.00 0.00 H new ATOM 1792 N LYS B 71 56.430 -0.724 7.478 1.00 0.00 N ATOM 1793 CA LYS B 71 57.032 -1.615 6.495 1.00 0.00 C ATOM 1794 C LYS B 71 55.953 -2.375 5.737 1.00 0.00 C ATOM 1795 O LYS B 71 56.043 -2.551 4.523 1.00 0.00 O ATOM 1796 CB LYS B 71 57.970 -2.602 7.188 1.00 0.00 C ATOM 1797 CG LYS B 71 59.280 -1.900 7.562 1.00 0.00 C ATOM 1798 CD LYS B 71 60.271 -2.011 6.397 1.00 0.00 C ATOM 1799 CE LYS B 71 61.616 -1.424 6.814 1.00 0.00 C ATOM 1800 NZ LYS B 71 61.480 0.046 7.010 1.00 0.00 N ATOM 0 H LYS B 71 56.674 -0.930 8.447 1.00 0.00 H new ATOM 0 HA LYS B 71 57.603 -1.015 5.787 1.00 0.00 H new ATOM 0 HB2 LYS B 71 57.494 -3.003 8.083 1.00 0.00 H new ATOM 0 HB3 LYS B 71 58.175 -3.446 6.530 1.00 0.00 H new ATOM 0 HG2 LYS B 71 59.090 -0.852 7.793 1.00 0.00 H new ATOM 0 HG3 LYS B 71 59.704 -2.352 8.458 1.00 0.00 H new ATOM 0 HD2 LYS B 71 60.392 -3.055 6.107 1.00 0.00 H new ATOM 0 HD3 LYS B 71 59.885 -1.481 5.526 1.00 0.00 H new ATOM 0 HE2 LYS B 71 61.959 -1.894 7.736 1.00 0.00 H new ATOM 0 HE3 LYS B 71 62.367 -1.632 6.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 62.425 0.479 7.059 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 60.953 0.455 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 60.968 0.232 7.896 1.00 0.00 H new ATOM 1814 N ALA B 72 54.931 -2.815 6.462 1.00 0.00 N ATOM 1815 CA ALA B 72 53.834 -3.550 5.846 1.00 0.00 C ATOM 1816 C ALA B 72 53.131 -2.680 4.814 1.00 0.00 C ATOM 1817 O ALA B 72 52.792 -3.147 3.722 1.00 0.00 O ATOM 1818 CB ALA B 72 52.832 -3.984 6.917 1.00 0.00 C ATOM 0 H ALA B 72 54.839 -2.677 7.468 1.00 0.00 H new ATOM 0 HA ALA B 72 54.239 -4.432 5.351 1.00 0.00 H new ATOM 0 HB1 ALA B 72 52.015 -4.533 6.449 1.00 0.00 H new ATOM 0 HB2 ALA B 72 53.331 -4.625 7.644 1.00 0.00 H new ATOM 0 HB3 ALA B 72 52.435 -3.103 7.422 1.00 0.00 H new ATOM 1824 N LEU B 73 52.919 -1.409 5.161 1.00 0.00 N ATOM 1825 CA LEU B 73 52.258 -0.494 4.240 1.00 0.00 C ATOM 1826 C LEU B 73 53.085 -0.324 2.967 1.00 0.00 C ATOM 1827 O LEU B 73 52.550 -0.345 1.858 1.00 0.00 O ATOM 1828 CB LEU B 73 52.063 0.868 4.915 1.00 0.00 C ATOM 1829 CG LEU B 73 51.365 1.836 3.952 1.00 0.00 C ATOM 1830 CD1 LEU B 73 49.986 1.285 3.581 1.00 0.00 C ATOM 1831 CD2 LEU B 73 51.206 3.197 4.624 1.00 0.00 C ATOM 0 H LEU B 73 53.190 -1.000 6.055 1.00 0.00 H new ATOM 0 HA LEU B 73 51.287 -0.910 3.972 1.00 0.00 H new ATOM 0 HB2 LEU B 73 51.469 0.752 5.821 1.00 0.00 H new ATOM 0 HB3 LEU B 73 53.028 1.275 5.217 1.00 0.00 H new ATOM 0 HG LEU B 73 51.966 1.945 3.049 1.00 0.00 H new ATOM 0 HD11 LEU B 73 49.491 1.974 2.897 1.00 0.00 H new ATOM 0 HD12 LEU B 73 50.100 0.314 3.099 1.00 0.00 H new ATOM 0 HD13 LEU B 73 49.384 1.174 4.483 1.00 0.00 H new ATOM 0 HD21 LEU B 73 50.710 3.885 3.939 1.00 0.00 H new ATOM 0 HD22 LEU B 73 50.606 3.089 5.528 1.00 0.00 H new ATOM 0 HD23 LEU B 73 52.188 3.591 4.885 1.00 0.00 H new ATOM 1843 N GLU B 74 54.389 -0.148 3.137 1.00 0.00 N ATOM 1844 CA GLU B 74 55.280 0.030 1.993 1.00 0.00 C ATOM 1845 C GLU B 74 55.334 -1.238 1.157 1.00 0.00 C ATOM 1846 O GLU B 74 55.327 -1.175 -0.070 1.00 0.00 O ATOM 1847 CB GLU B 74 56.687 0.385 2.480 1.00 0.00 C ATOM 1848 CG GLU B 74 56.673 1.774 3.124 1.00 0.00 C ATOM 1849 CD GLU B 74 56.440 2.838 2.056 1.00 0.00 C ATOM 1850 OE1 GLU B 74 56.563 2.514 0.887 1.00 0.00 O ATOM 1851 OE2 GLU B 74 56.146 3.964 2.424 1.00 0.00 O ATOM 0 H GLU B 74 54.852 -0.124 4.046 1.00 0.00 H new ATOM 0 HA GLU B 74 54.894 0.841 1.376 1.00 0.00 H new ATOM 0 HB2 GLU B 74 57.031 -0.357 3.200 1.00 0.00 H new ATOM 0 HB3 GLU B 74 57.387 0.368 1.645 1.00 0.00 H new ATOM 0 HG2 GLU B 74 55.889 1.826 3.879 1.00 0.00 H new ATOM 0 HG3 GLU B 74 57.619 1.958 3.633 1.00 0.00 H new ATOM 1858 N LEU B 75 55.380 -2.387 1.830 1.00 0.00 N ATOM 1859 CA LEU B 75 55.429 -3.670 1.135 1.00 0.00 C ATOM 1860 C LEU B 75 54.171 -3.879 0.300 1.00 0.00 C ATOM 1861 O LEU B 75 54.240 -4.343 -0.839 1.00 0.00 O ATOM 1862 CB LEU B 75 55.567 -4.803 2.152 1.00 0.00 C ATOM 1863 CG LEU B 75 56.992 -4.811 2.712 1.00 0.00 C ATOM 1864 CD1 LEU B 75 56.997 -5.490 4.084 1.00 0.00 C ATOM 1865 CD2 LEU B 75 57.921 -5.592 1.770 1.00 0.00 C ATOM 0 H LEU B 75 55.384 -2.455 2.848 1.00 0.00 H new ATOM 0 HA LEU B 75 56.292 -3.671 0.469 1.00 0.00 H new ATOM 0 HB2 LEU B 75 54.847 -4.671 2.960 1.00 0.00 H new ATOM 0 HB3 LEU B 75 55.344 -5.760 1.680 1.00 0.00 H new ATOM 0 HG LEU B 75 57.343 -3.783 2.802 1.00 0.00 H new ATOM 0 HD11 LEU B 75 58.011 -5.496 4.483 1.00 0.00 H new ATOM 0 HD12 LEU B 75 56.343 -4.943 4.763 1.00 0.00 H new ATOM 0 HD13 LEU B 75 56.640 -6.515 3.984 1.00 0.00 H new ATOM 0 HD21 LEU B 75 58.933 -5.593 2.175 1.00 0.00 H new ATOM 0 HD22 LEU B 75 57.566 -6.618 1.678 1.00 0.00 H new ATOM 0 HD23 LEU B 75 57.924 -5.119 0.788 1.00 0.00 H new ATOM 1877 N TYR B 76 53.028 -3.515 0.868 1.00 0.00 N ATOM 1878 CA TYR B 76 51.757 -3.646 0.167 1.00 0.00 C ATOM 1879 C TYR B 76 51.765 -2.799 -1.101 1.00 0.00 C ATOM 1880 O TYR B 76 51.350 -3.254 -2.164 1.00 0.00 O ATOM 1881 CB TYR B 76 50.607 -3.210 1.072 1.00 0.00 C ATOM 1882 CG TYR B 76 49.303 -3.324 0.317 1.00 0.00 C ATOM 1883 CD1 TYR B 76 48.674 -4.568 0.190 1.00 0.00 C ATOM 1884 CD2 TYR B 76 48.724 -2.185 -0.253 1.00 0.00 C ATOM 1885 CE1 TYR B 76 47.465 -4.672 -0.509 1.00 0.00 C ATOM 1886 CE2 TYR B 76 47.515 -2.290 -0.953 1.00 0.00 C ATOM 1887 CZ TYR B 76 46.886 -3.533 -1.079 1.00 0.00 C ATOM 1888 OH TYR B 76 45.694 -3.637 -1.769 1.00 0.00 O ATOM 0 H TYR B 76 52.955 -3.128 1.809 1.00 0.00 H new ATOM 0 HA TYR B 76 51.617 -4.692 -0.105 1.00 0.00 H new ATOM 0 HB2 TYR B 76 50.578 -3.832 1.966 1.00 0.00 H new ATOM 0 HB3 TYR B 76 50.760 -2.183 1.403 1.00 0.00 H new ATOM 0 HD1 TYR B 76 49.121 -5.447 0.631 1.00 0.00 H new ATOM 0 HD2 TYR B 76 49.209 -1.225 -0.153 1.00 0.00 H new ATOM 0 HE1 TYR B 76 46.979 -5.632 -0.608 1.00 0.00 H new ATOM 0 HE2 TYR B 76 47.069 -1.412 -1.395 1.00 0.00 H new ATOM 0 HH TYR B 76 45.394 -4.570 -1.765 1.00 0.00 H new ATOM 1898 N LYS B 77 52.236 -1.561 -0.978 1.00 0.00 N ATOM 1899 CA LYS B 77 52.284 -0.658 -2.124 1.00 0.00 C ATOM 1900 C LYS B 77 53.084 -1.279 -3.264 1.00 0.00 C ATOM 1901 O LYS B 77 52.649 -1.268 -4.414 1.00 0.00 O ATOM 1902 CB LYS B 77 52.927 0.669 -1.708 1.00 0.00 C ATOM 1903 CG LYS B 77 53.219 1.512 -2.953 1.00 0.00 C ATOM 1904 CD LYS B 77 53.568 2.938 -2.537 1.00 0.00 C ATOM 1905 CE LYS B 77 54.847 3.378 -3.250 1.00 0.00 C ATOM 1906 NZ LYS B 77 55.098 4.822 -2.975 1.00 0.00 N ATOM 0 H LYS B 77 52.586 -1.163 -0.106 1.00 0.00 H new ATOM 0 HA LYS B 77 51.266 -0.480 -2.469 1.00 0.00 H new ATOM 0 HB2 LYS B 77 52.262 1.212 -1.037 1.00 0.00 H new ATOM 0 HB3 LYS B 77 53.850 0.481 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS B 77 54.044 1.074 -3.515 1.00 0.00 H new ATOM 0 HG3 LYS B 77 52.351 1.517 -3.613 1.00 0.00 H new ATOM 0 HD2 LYS B 77 52.749 3.612 -2.788 1.00 0.00 H new ATOM 0 HD3 LYS B 77 53.705 2.990 -1.457 1.00 0.00 H new ATOM 0 HE2 LYS B 77 55.691 2.780 -2.908 1.00 0.00 H new ATOM 0 HE3 LYS B 77 54.753 3.212 -4.323 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 55.968 5.122 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 54.296 5.386 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 55.205 4.967 -1.951 1.00 0.00 H new ATOM 1920 N ILE B 78 54.250 -1.821 -2.936 1.00 0.00 N ATOM 1921 CA ILE B 78 55.100 -2.450 -3.943 1.00 0.00 C ATOM 1922 C ILE B 78 54.644 -3.875 -4.212 1.00 0.00 C ATOM 1923 O ILE B 78 55.145 -4.535 -5.123 1.00 0.00 O ATOM 1924 CB ILE B 78 56.555 -2.450 -3.467 1.00 0.00 C ATOM 1925 CG1 ILE B 78 56.668 -3.269 -2.193 1.00 0.00 C ATOM 1926 CG2 ILE B 78 57.008 -1.015 -3.194 1.00 0.00 C ATOM 1927 CD1 ILE B 78 58.099 -3.188 -1.653 1.00 0.00 C ATOM 0 H ILE B 78 54.628 -1.839 -1.989 1.00 0.00 H new ATOM 0 HA ILE B 78 55.023 -1.880 -4.869 1.00 0.00 H new ATOM 0 HB ILE B 78 57.189 -2.886 -4.239 1.00 0.00 H new ATOM 0 HG12 ILE B 78 55.966 -2.897 -1.447 1.00 0.00 H new ATOM 0 HG13 ILE B 78 56.402 -4.307 -2.392 1.00 0.00 H new ATOM 0 HG21 ILE B 78 58.044 -1.019 -2.855 1.00 0.00 H new ATOM 0 HG22 ILE B 78 56.927 -0.428 -4.109 1.00 0.00 H new ATOM 0 HG23 ILE B 78 56.376 -0.574 -2.423 1.00 0.00 H new ATOM 0 HD11 ILE B 78 58.177 -3.777 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE B 78 58.792 -3.581 -2.397 1.00 0.00 H new ATOM 0 HD13 ILE B 78 58.348 -2.149 -1.438 1.00 0.00 H new ATOM 1939 N ASN B 79 53.695 -4.348 -3.412 1.00 0.00 N ATOM 1940 CA ASN B 79 53.188 -5.704 -3.571 1.00 0.00 C ATOM 1941 C ASN B 79 54.334 -6.711 -3.577 1.00 0.00 C ATOM 1942 O ASN B 79 54.338 -7.650 -4.373 1.00 0.00 O ATOM 1943 CB ASN B 79 52.391 -5.818 -4.870 1.00 0.00 C ATOM 1944 CG ASN B 79 51.192 -4.875 -4.834 1.00 0.00 C ATOM 1945 OD1 ASN B 79 50.484 -4.811 -3.829 1.00 0.00 O ATOM 1946 ND2 ASN B 79 50.925 -4.134 -5.873 1.00 0.00 N ATOM 0 H ASN B 79 53.265 -3.818 -2.654 1.00 0.00 H new ATOM 0 HA ASN B 79 52.534 -5.926 -2.728 1.00 0.00 H new ATOM 0 HB2 ASN B 79 53.029 -5.575 -5.720 1.00 0.00 H new ATOM 0 HB3 ASN B 79 52.052 -6.845 -5.009 1.00 0.00 H new ATOM 0 HD21 ASN B 79 50.127 -3.499 -5.855 1.00 0.00 H new ATOM 0 HD22 ASN B 79 51.514 -4.190 -6.704 1.00 0.00 H new ATOM 1953 N ALA B 80 55.306 -6.509 -2.690 1.00 0.00 N ATOM 1954 CA ALA B 80 56.448 -7.407 -2.610 1.00 0.00 C ATOM 1955 C ALA B 80 55.977 -8.849 -2.447 1.00 0.00 C ATOM 1956 O ALA B 80 55.040 -9.130 -1.703 1.00 0.00 O ATOM 1957 CB ALA B 80 57.325 -7.020 -1.416 1.00 0.00 C ATOM 0 H ALA B 80 55.323 -5.737 -2.023 1.00 0.00 H new ATOM 0 HA ALA B 80 57.025 -7.324 -3.531 1.00 0.00 H new ATOM 0 HB1 ALA B 80 58.180 -7.694 -1.359 1.00 0.00 H new ATOM 0 HB2 ALA B 80 57.678 -5.996 -1.541 1.00 0.00 H new ATOM 0 HB3 ALA B 80 56.742 -7.094 -0.498 1.00 0.00 H new ATOM 1963 N LYS B 81 56.635 -9.756 -3.156 1.00 0.00 N ATOM 1964 CA LYS B 81 56.281 -11.169 -3.094 1.00 0.00 C ATOM 1965 C LYS B 81 56.417 -11.695 -1.669 1.00 0.00 C ATOM 1966 O LYS B 81 57.311 -11.288 -0.928 1.00 0.00 O ATOM 1967 CB LYS B 81 57.185 -11.977 -4.028 1.00 0.00 C ATOM 1968 CG LYS B 81 58.647 -11.609 -3.766 1.00 0.00 C ATOM 1969 CD LYS B 81 59.548 -12.369 -4.745 1.00 0.00 C ATOM 1970 CE LYS B 81 61.013 -12.145 -4.370 1.00 0.00 C ATOM 1971 NZ LYS B 81 61.334 -10.693 -4.465 1.00 0.00 N ATOM 0 H LYS B 81 57.414 -9.541 -3.779 1.00 0.00 H new ATOM 0 HA LYS B 81 55.244 -11.277 -3.411 1.00 0.00 H new ATOM 0 HB2 LYS B 81 57.033 -13.044 -3.866 1.00 0.00 H new ATOM 0 HB3 LYS B 81 56.928 -11.773 -5.067 1.00 0.00 H new ATOM 0 HG2 LYS B 81 58.789 -10.535 -3.883 1.00 0.00 H new ATOM 0 HG3 LYS B 81 58.917 -11.856 -2.739 1.00 0.00 H new ATOM 0 HD2 LYS B 81 59.314 -13.433 -4.720 1.00 0.00 H new ATOM 0 HD3 LYS B 81 59.366 -12.027 -5.764 1.00 0.00 H new ATOM 0 HE2 LYS B 81 61.199 -12.504 -3.358 1.00 0.00 H new ATOM 0 HE3 LYS B 81 61.661 -12.716 -5.035 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 62.366 -10.565 -4.462 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 60.939 -10.307 -5.347 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 60.921 -10.192 -3.653 1.00 0.00 H new ATOM 1985 N LEU B 82 55.528 -12.605 -1.299 1.00 0.00 N ATOM 1986 CA LEU B 82 55.554 -13.195 0.036 1.00 0.00 C ATOM 1987 C LEU B 82 56.524 -14.366 0.090 1.00 0.00 C ATOM 1988 O LEU B 82 56.779 -15.020 -0.918 1.00 0.00 O ATOM 1989 CB LEU B 82 54.155 -13.670 0.433 1.00 0.00 C ATOM 1990 CG LEU B 82 53.265 -12.455 0.711 1.00 0.00 C ATOM 1991 CD1 LEU B 82 51.803 -12.901 0.807 1.00 0.00 C ATOM 1992 CD2 LEU B 82 53.680 -11.792 2.033 1.00 0.00 C ATOM 0 H LEU B 82 54.781 -12.952 -1.901 1.00 0.00 H new ATOM 0 HA LEU B 82 55.888 -12.430 0.737 1.00 0.00 H new ATOM 0 HB2 LEU B 82 53.724 -14.275 -0.365 1.00 0.00 H new ATOM 0 HB3 LEU B 82 54.212 -14.303 1.318 1.00 0.00 H new ATOM 0 HG LEU B 82 53.378 -11.739 -0.103 1.00 0.00 H new ATOM 0 HD11 LEU B 82 51.171 -12.035 1.005 1.00 0.00 H new ATOM 0 HD12 LEU B 82 51.501 -13.364 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU B 82 51.695 -13.622 1.617 1.00 0.00 H new ATOM 0 HD21 LEU B 82 53.042 -10.929 2.223 1.00 0.00 H new ATOM 0 HD22 LEU B 82 53.574 -12.508 2.848 1.00 0.00 H new ATOM 0 HD23 LEU B 82 54.719 -11.468 1.967 1.00 0.00 H new