USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=21 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 78:sc= 1.34 USER MOD Set 1.2: B 59 THR OG1 : rot -77:sc= 1.37 USER MOD Set 2.1: B 44 CYS SG : rot 180:sc= 0.15 USER MOD Set 2.2: B 46 ASN : amide:sc= 0 X(o=0.72,f=0.54) USER MOD Set 2.3: B 49 CYS SG : rot 158:sc= 0.38 USER MOD Set 2.4: B 54 CYS SG : rot -66:sc= 0.194 USER MOD Set 3.1: B 37 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: B 65 ASN : amide:sc= -1.35! C(o=-1.3!,f=-1.9!) USER MOD Set 4.1: A 341 ASN : amide:sc= -0.343 X(o=-0.61,f=-0.91!) USER MOD Set 4.2: B 30 LYS NZ :NH3+ 179:sc= -0.263 (180deg=0) USER MOD Set 5.1: A 329 MET CE :methyl 158:sc=-0.00485 (180deg=-0.482) USER MOD Set 5.2: B 77 LYS NZ :NH3+ -112:sc= -2.77 (180deg=-4.76!) USER MOD Single : A 330 GLN : amide:sc= -0.239 X(o=-0.24,f=-0.45) USER MOD Single : A 336 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 348 ASN : amide:sc= -0.0143 X(o=-0.014,f=0) USER MOD Single : A 349 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.7!) USER MOD Single : A 354 ASN : amide:sc= -0.0257 K(o=-0.026,f=-1.3) USER MOD Single : A 356 MET CE :methyl -163:sc=-0.00311 (180deg=-0.0853) USER MOD Single : A 358 SER OG : rot -36:sc= 1.03 USER MOD Single : B 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 HIS : no HD1:sc= -0.0513 X(o=-0.051,f=0) USER MOD Single : B 36 TYR OH : rot 144:sc= 0.643 USER MOD Single : B 38 HIS :FLIP no HD1:sc= -0.27 F(o=-0.87,f=-0.27) USER MOD Single : B 39 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.25) USER MOD Single : B 41 THR OG1 : rot -80:sc= 0.779 USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= -0.304 K(o=-0.3,f=-9.6!) USER MOD Single : B 56 SER OG : rot 180:sc=-0.00949 USER MOD Single : B 63 MET CE :methyl 178:sc= -1.06 (180deg=-1.11) USER MOD Single : B 66 ASN : amide:sc= -0.94 K(o=-0.94,f=-2.8) USER MOD Single : B 71 LYS NZ :NH3+ -166:sc= -1.02 (180deg=-1.58) USER MOD Single : B 76 TYR OH : rot 180:sc= 0 USER MOD Single : B 79 ASN : amide:sc= -0.269 K(o=-0.27,f=-1.6!) USER MOD Single : B 81 LYS NZ :NH3+ -153:sc= -0.167 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 299 N ASP A 327 41.477 2.491 -6.274 1.00 0.00 N ATOM 300 CA ASP A 327 42.833 2.495 -5.734 1.00 0.00 C ATOM 301 C ASP A 327 42.800 2.583 -4.210 1.00 0.00 C ATOM 302 O ASP A 327 42.232 3.518 -3.643 1.00 0.00 O ATOM 303 CB ASP A 327 43.615 3.678 -6.300 1.00 0.00 C ATOM 304 CG ASP A 327 43.911 3.449 -7.778 1.00 0.00 C ATOM 305 OD1 ASP A 327 43.730 2.331 -8.233 1.00 0.00 O ATOM 306 OD2 ASP A 327 44.317 4.394 -8.435 1.00 0.00 O ATOM 0 HA ASP A 327 43.324 1.566 -6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 327 43.042 4.597 -6.174 1.00 0.00 H new ATOM 0 HB3 ASP A 327 44.547 3.805 -5.750 1.00 0.00 H new ATOM 311 N VAL A 328 43.410 1.604 -3.555 1.00 0.00 N ATOM 312 CA VAL A 328 43.445 1.572 -2.096 1.00 0.00 C ATOM 313 C VAL A 328 44.225 2.770 -1.555 1.00 0.00 C ATOM 314 O VAL A 328 43.846 3.373 -0.553 1.00 0.00 O ATOM 315 CB VAL A 328 44.094 0.276 -1.614 1.00 0.00 C ATOM 316 CG1 VAL A 328 44.236 0.312 -0.092 1.00 0.00 C ATOM 317 CG2 VAL A 328 43.226 -0.912 -2.023 1.00 0.00 C ATOM 0 H VAL A 328 43.886 0.824 -4.007 1.00 0.00 H new ATOM 0 HA VAL A 328 42.421 1.620 -1.725 1.00 0.00 H new ATOM 0 HB VAL A 328 45.081 0.173 -2.066 1.00 0.00 H new ATOM 0 HG11 VAL A 328 44.699 -0.613 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 328 44.859 1.159 0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 328 43.251 0.416 0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 328 43.689 -1.837 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 328 42.238 -0.812 -1.574 1.00 0.00 H new ATOM 0 HG23 VAL A 328 43.130 -0.936 -3.109 1.00 0.00 H new ATOM 327 N MET A 329 45.318 3.108 -2.227 1.00 0.00 N ATOM 328 CA MET A 329 46.148 4.234 -1.806 1.00 0.00 C ATOM 329 C MET A 329 45.347 5.532 -1.829 1.00 0.00 C ATOM 330 O MET A 329 45.546 6.409 -0.989 1.00 0.00 O ATOM 331 CB MET A 329 47.364 4.362 -2.727 1.00 0.00 C ATOM 332 CG MET A 329 48.325 3.200 -2.471 1.00 0.00 C ATOM 333 SD MET A 329 49.075 3.386 -0.834 1.00 0.00 S ATOM 334 CE MET A 329 49.826 1.744 -0.737 1.00 0.00 C ATOM 0 H MET A 329 45.651 2.624 -3.061 1.00 0.00 H new ATOM 0 HA MET A 329 46.485 4.049 -0.786 1.00 0.00 H new ATOM 0 HB2 MET A 329 47.045 4.361 -3.769 1.00 0.00 H new ATOM 0 HB3 MET A 329 47.869 5.311 -2.549 1.00 0.00 H new ATOM 0 HG2 MET A 329 47.791 2.252 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 329 49.100 3.179 -3.237 1.00 0.00 H new ATOM 0 HE1 MET A 329 50.645 1.760 -0.018 1.00 0.00 H new ATOM 0 HE2 MET A 329 49.077 1.020 -0.417 1.00 0.00 H new ATOM 0 HE3 MET A 329 50.209 1.461 -1.717 1.00 0.00 H new ATOM 344 N GLN A 330 44.447 5.648 -2.795 1.00 0.00 N ATOM 345 CA GLN A 330 43.624 6.845 -2.923 1.00 0.00 C ATOM 346 C GLN A 330 42.581 6.901 -1.813 1.00 0.00 C ATOM 347 O GLN A 330 41.711 7.772 -1.813 1.00 0.00 O ATOM 348 CB GLN A 330 42.926 6.857 -4.285 1.00 0.00 C ATOM 349 CG GLN A 330 43.971 6.901 -5.403 1.00 0.00 C ATOM 350 CD GLN A 330 44.787 8.184 -5.315 1.00 0.00 C ATOM 351 OE1 GLN A 330 44.223 9.269 -5.172 1.00 0.00 O ATOM 352 NE2 GLN A 330 46.087 8.127 -5.391 1.00 0.00 N ATOM 0 H GLN A 330 44.268 4.932 -3.499 1.00 0.00 H new ATOM 0 HA GLN A 330 44.272 7.718 -2.840 1.00 0.00 H new ATOM 0 HB2 GLN A 330 42.303 5.969 -4.392 1.00 0.00 H new ATOM 0 HB3 GLN A 330 42.266 7.721 -4.358 1.00 0.00 H new ATOM 0 HG2 GLN A 330 44.631 6.037 -5.327 1.00 0.00 H new ATOM 0 HG3 GLN A 330 43.478 6.842 -6.373 1.00 0.00 H new ATOM 0 HE21 GLN A 330 46.552 7.227 -5.509 1.00 0.00 H new ATOM 0 HE22 GLN A 330 46.639 8.982 -5.332 1.00 0.00 H new ATOM 361 N ASP A 331 42.682 5.972 -0.865 1.00 0.00 N ATOM 362 CA ASP A 331 41.751 5.927 0.257 1.00 0.00 C ATOM 363 C ASP A 331 42.505 5.817 1.581 1.00 0.00 C ATOM 364 O ASP A 331 42.559 4.745 2.192 1.00 0.00 O ATOM 365 CB ASP A 331 40.807 4.739 0.103 1.00 0.00 C ATOM 366 CG ASP A 331 40.018 4.875 -1.192 1.00 0.00 C ATOM 367 OD1 ASP A 331 40.058 5.944 -1.778 1.00 0.00 O ATOM 368 OD2 ASP A 331 39.387 3.909 -1.579 1.00 0.00 O ATOM 0 H ASP A 331 43.396 5.244 -0.852 1.00 0.00 H new ATOM 0 HA ASP A 331 41.173 6.851 0.261 1.00 0.00 H new ATOM 0 HB2 ASP A 331 41.375 3.809 0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 331 40.125 4.691 0.952 1.00 0.00 H new ATOM 373 N PRO A 332 43.091 6.897 2.028 1.00 0.00 N ATOM 374 CA PRO A 332 43.861 6.929 3.307 1.00 0.00 C ATOM 375 C PRO A 332 43.013 6.485 4.495 1.00 0.00 C ATOM 376 O PRO A 332 43.516 5.867 5.431 1.00 0.00 O ATOM 377 CB PRO A 332 44.263 8.399 3.455 1.00 0.00 C ATOM 378 CG PRO A 332 44.205 8.960 2.077 1.00 0.00 C ATOM 379 CD PRO A 332 43.086 8.211 1.369 1.00 0.00 C ATOM 0 HA PRO A 332 44.712 6.248 3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 332 43.584 8.927 4.124 1.00 0.00 H new ATOM 0 HB3 PRO A 332 45.264 8.493 3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 332 44.005 10.031 2.099 1.00 0.00 H new ATOM 0 HG3 PRO A 332 45.155 8.824 1.560 1.00 0.00 H new ATOM 0 HD2 PRO A 332 42.127 8.716 1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 332 43.273 8.125 0.299 1.00 0.00 H new ATOM 387 N GLU A 333 41.723 6.812 4.455 1.00 0.00 N ATOM 388 CA GLU A 333 40.826 6.449 5.546 1.00 0.00 C ATOM 389 C GLU A 333 40.776 4.935 5.725 1.00 0.00 C ATOM 390 O GLU A 333 40.842 4.433 6.848 1.00 0.00 O ATOM 391 CB GLU A 333 39.414 6.965 5.249 1.00 0.00 C ATOM 392 CG GLU A 333 39.387 8.490 5.362 1.00 0.00 C ATOM 393 CD GLU A 333 38.012 9.021 4.968 1.00 0.00 C ATOM 394 OE1 GLU A 333 37.237 8.255 4.418 1.00 0.00 O ATOM 395 OE2 GLU A 333 37.750 10.183 5.230 1.00 0.00 O ATOM 0 H GLU A 333 41.281 7.321 3.689 1.00 0.00 H new ATOM 0 HA GLU A 333 41.203 6.902 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 333 39.108 6.660 4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 333 38.702 6.526 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 333 39.623 8.791 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 333 40.151 8.924 4.717 1.00 0.00 H new ATOM 402 N PHE A 334 40.670 4.213 4.616 1.00 0.00 N ATOM 403 CA PHE A 334 40.619 2.758 4.669 1.00 0.00 C ATOM 404 C PHE A 334 41.929 2.199 5.216 1.00 0.00 C ATOM 405 O PHE A 334 41.935 1.317 6.071 1.00 0.00 O ATOM 406 CB PHE A 334 40.357 2.194 3.271 1.00 0.00 C ATOM 407 CG PHE A 334 40.163 0.699 3.361 1.00 0.00 C ATOM 408 CD1 PHE A 334 38.932 0.182 3.785 1.00 0.00 C ATOM 409 CD2 PHE A 334 41.207 -0.170 3.022 1.00 0.00 C ATOM 410 CE1 PHE A 334 38.745 -1.203 3.870 1.00 0.00 C ATOM 411 CE2 PHE A 334 41.019 -1.554 3.108 1.00 0.00 C ATOM 412 CZ PHE A 334 39.789 -2.070 3.532 1.00 0.00 C ATOM 0 H PHE A 334 40.618 4.607 3.677 1.00 0.00 H new ATOM 0 HA PHE A 334 39.807 2.462 5.334 1.00 0.00 H new ATOM 0 HB2 PHE A 334 39.472 2.661 2.838 1.00 0.00 H new ATOM 0 HB3 PHE A 334 41.194 2.424 2.611 1.00 0.00 H new ATOM 0 HD1 PHE A 334 38.127 0.852 4.047 1.00 0.00 H new ATOM 0 HD2 PHE A 334 42.156 0.227 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 334 37.796 -1.601 4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 334 41.824 -2.225 2.847 1.00 0.00 H new ATOM 0 HZ PHE A 334 39.646 -3.138 3.598 1.00 0.00 H new ATOM 422 N LEU A 335 43.040 2.722 4.709 1.00 0.00 N ATOM 423 CA LEU A 335 44.354 2.270 5.150 1.00 0.00 C ATOM 424 C LEU A 335 44.568 2.588 6.625 1.00 0.00 C ATOM 425 O LEU A 335 45.137 1.788 7.367 1.00 0.00 O ATOM 426 CB LEU A 335 45.447 2.946 4.318 1.00 0.00 C ATOM 427 CG LEU A 335 45.420 2.392 2.890 1.00 0.00 C ATOM 428 CD1 LEU A 335 46.347 3.224 2.000 1.00 0.00 C ATOM 429 CD2 LEU A 335 45.883 0.928 2.876 1.00 0.00 C ATOM 0 H LEU A 335 43.058 3.453 3.998 1.00 0.00 H new ATOM 0 HA LEU A 335 44.407 1.190 5.013 1.00 0.00 H new ATOM 0 HB2 LEU A 335 45.293 4.025 4.304 1.00 0.00 H new ATOM 0 HB3 LEU A 335 46.423 2.770 4.769 1.00 0.00 H new ATOM 0 HG LEU A 335 44.399 2.445 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 335 46.327 2.829 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 335 46.011 4.261 1.993 1.00 0.00 H new ATOM 0 HD13 LEU A 335 47.364 3.175 2.388 1.00 0.00 H new ATOM 0 HD21 LEU A 335 45.858 0.548 1.855 1.00 0.00 H new ATOM 0 HD22 LEU A 335 46.900 0.864 3.262 1.00 0.00 H new ATOM 0 HD23 LEU A 335 45.219 0.331 3.501 1.00 0.00 H new ATOM 441 N GLN A 336 44.111 3.765 7.042 1.00 0.00 N ATOM 442 CA GLN A 336 44.265 4.181 8.429 1.00 0.00 C ATOM 443 C GLN A 336 43.549 3.209 9.360 1.00 0.00 C ATOM 444 O GLN A 336 44.074 2.840 10.410 1.00 0.00 O ATOM 445 CB GLN A 336 43.688 5.586 8.615 1.00 0.00 C ATOM 446 CG GLN A 336 43.948 6.062 10.046 1.00 0.00 C ATOM 447 CD GLN A 336 43.451 7.492 10.220 1.00 0.00 C ATOM 448 OE1 GLN A 336 42.930 8.089 9.276 1.00 0.00 O ATOM 449 NE2 GLN A 336 43.581 8.082 11.376 1.00 0.00 N ATOM 0 H GLN A 336 43.635 4.441 6.444 1.00 0.00 H new ATOM 0 HA GLN A 336 45.327 4.187 8.675 1.00 0.00 H new ATOM 0 HB2 GLN A 336 44.144 6.274 7.903 1.00 0.00 H new ATOM 0 HB3 GLN A 336 42.617 5.580 8.412 1.00 0.00 H new ATOM 0 HG2 GLN A 336 43.443 5.405 10.754 1.00 0.00 H new ATOM 0 HG3 GLN A 336 45.014 6.010 10.267 1.00 0.00 H new ATOM 0 HE21 GLN A 336 44.012 7.586 12.156 1.00 0.00 H new ATOM 0 HE22 GLN A 336 43.251 9.039 11.500 1.00 0.00 H new ATOM 458 N SER A 337 42.350 2.796 8.968 1.00 0.00 N ATOM 459 CA SER A 337 41.575 1.867 9.779 1.00 0.00 C ATOM 460 C SER A 337 42.333 0.555 9.953 1.00 0.00 C ATOM 461 O SER A 337 42.388 -0.004 11.049 1.00 0.00 O ATOM 462 CB SER A 337 40.224 1.596 9.113 1.00 0.00 C ATOM 463 OG SER A 337 39.476 0.695 9.918 1.00 0.00 O ATOM 0 H SER A 337 41.897 3.087 8.102 1.00 0.00 H new ATOM 0 HA SER A 337 41.412 2.313 10.760 1.00 0.00 H new ATOM 0 HB2 SER A 337 39.675 2.529 8.985 1.00 0.00 H new ATOM 0 HB3 SER A 337 40.374 1.175 8.119 1.00 0.00 H new ATOM 0 HG SER A 337 38.609 0.521 9.495 1.00 0.00 H new ATOM 469 N VAL A 338 42.916 0.067 8.864 1.00 0.00 N ATOM 470 CA VAL A 338 43.665 -1.183 8.911 1.00 0.00 C ATOM 471 C VAL A 338 44.880 -1.041 9.823 1.00 0.00 C ATOM 472 O VAL A 338 45.153 -1.911 10.648 1.00 0.00 O ATOM 473 CB VAL A 338 44.121 -1.573 7.503 1.00 0.00 C ATOM 474 CG1 VAL A 338 45.041 -2.792 7.579 1.00 0.00 C ATOM 475 CG2 VAL A 338 42.900 -1.899 6.637 1.00 0.00 C ATOM 0 H VAL A 338 42.885 0.512 7.947 1.00 0.00 H new ATOM 0 HA VAL A 338 43.015 -1.962 9.308 1.00 0.00 H new ATOM 0 HB VAL A 338 44.665 -0.740 7.057 1.00 0.00 H new ATOM 0 HG11 VAL A 338 45.364 -3.067 6.575 1.00 0.00 H new ATOM 0 HG12 VAL A 338 45.913 -2.552 8.188 1.00 0.00 H new ATOM 0 HG13 VAL A 338 44.503 -3.627 8.029 1.00 0.00 H new ATOM 0 HG21 VAL A 338 43.228 -2.176 5.635 1.00 0.00 H new ATOM 0 HG22 VAL A 338 42.350 -2.729 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 338 42.252 -1.024 6.578 1.00 0.00 H new ATOM 485 N LEU A 339 45.602 0.065 9.669 1.00 0.00 N ATOM 486 CA LEU A 339 46.788 0.313 10.483 1.00 0.00 C ATOM 487 C LEU A 339 46.410 0.396 11.956 1.00 0.00 C ATOM 488 O LEU A 339 47.132 -0.090 12.823 1.00 0.00 O ATOM 489 CB LEU A 339 47.451 1.621 10.047 1.00 0.00 C ATOM 490 CG LEU A 339 48.055 1.453 8.648 1.00 0.00 C ATOM 491 CD1 LEU A 339 48.547 2.808 8.135 1.00 0.00 C ATOM 492 CD2 LEU A 339 49.229 0.465 8.689 1.00 0.00 C ATOM 0 H LEU A 339 45.389 0.799 8.993 1.00 0.00 H new ATOM 0 HA LEU A 339 47.487 -0.511 10.344 1.00 0.00 H new ATOM 0 HB2 LEU A 339 46.718 2.428 10.043 1.00 0.00 H new ATOM 0 HB3 LEU A 339 48.228 1.901 10.758 1.00 0.00 H new ATOM 0 HG LEU A 339 47.288 1.064 7.979 1.00 0.00 H new ATOM 0 HD11 LEU A 339 48.976 2.687 7.140 1.00 0.00 H new ATOM 0 HD12 LEU A 339 47.710 3.504 8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 339 49.306 3.200 8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 339 49.648 0.356 7.689 1.00 0.00 H new ATOM 0 HD22 LEU A 339 49.997 0.841 9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 339 48.877 -0.504 9.043 1.00 0.00 H new ATOM 504 N GLU A 340 45.273 1.016 12.233 1.00 0.00 N ATOM 505 CA GLU A 340 44.804 1.150 13.606 1.00 0.00 C ATOM 506 C GLU A 340 44.523 -0.222 14.210 1.00 0.00 C ATOM 507 O GLU A 340 44.813 -0.466 15.383 1.00 0.00 O ATOM 508 CB GLU A 340 43.538 2.003 13.648 1.00 0.00 C ATOM 509 CG GLU A 340 43.083 2.173 15.099 1.00 0.00 C ATOM 510 CD GLU A 340 41.930 3.167 15.170 1.00 0.00 C ATOM 511 OE1 GLU A 340 41.658 3.801 14.164 1.00 0.00 O ATOM 512 OE2 GLU A 340 41.331 3.275 16.227 1.00 0.00 O ATOM 0 H GLU A 340 44.661 1.432 11.531 1.00 0.00 H new ATOM 0 HA GLU A 340 45.584 1.638 14.191 1.00 0.00 H new ATOM 0 HB2 GLU A 340 43.729 2.978 13.199 1.00 0.00 H new ATOM 0 HB3 GLU A 340 42.750 1.531 13.062 1.00 0.00 H new ATOM 0 HG2 GLU A 340 42.771 1.211 15.506 1.00 0.00 H new ATOM 0 HG3 GLU A 340 43.914 2.523 15.711 1.00 0.00 H new ATOM 519 N ASN A 341 43.951 -1.113 13.406 1.00 0.00 N ATOM 520 CA ASN A 341 43.632 -2.454 13.878 1.00 0.00 C ATOM 521 C ASN A 341 44.898 -3.184 14.309 1.00 0.00 C ATOM 522 O ASN A 341 44.906 -3.877 15.329 1.00 0.00 O ATOM 523 CB ASN A 341 42.940 -3.247 12.765 1.00 0.00 C ATOM 524 CG ASN A 341 41.528 -2.716 12.548 1.00 0.00 C ATOM 525 OD1 ASN A 341 40.962 -2.074 13.433 1.00 0.00 O ATOM 526 ND2 ASN A 341 40.922 -2.943 11.414 1.00 0.00 N ATOM 0 H ASN A 341 43.701 -0.932 12.434 1.00 0.00 H new ATOM 0 HA ASN A 341 42.964 -2.369 14.735 1.00 0.00 H new ATOM 0 HB2 ASN A 341 43.513 -3.169 11.841 1.00 0.00 H new ATOM 0 HB3 ASN A 341 42.903 -4.304 13.029 1.00 0.00 H new ATOM 0 HD21 ASN A 341 39.978 -2.588 11.260 1.00 0.00 H new ATOM 0 HD22 ASN A 341 41.392 -3.475 10.682 1.00 0.00 H new ATOM 533 N LEU A 342 45.970 -3.032 13.529 1.00 0.00 N ATOM 534 CA LEU A 342 47.216 -3.693 13.851 1.00 0.00 C ATOM 535 C LEU A 342 47.573 -3.481 15.326 1.00 0.00 C ATOM 536 O LEU A 342 47.902 -2.367 15.735 1.00 0.00 O ATOM 537 CB LEU A 342 48.342 -3.156 12.966 1.00 0.00 C ATOM 538 CG LEU A 342 48.513 -4.076 11.754 1.00 0.00 C ATOM 539 CD1 LEU A 342 47.262 -4.026 10.878 1.00 0.00 C ATOM 540 CD2 LEU A 342 49.725 -3.627 10.943 1.00 0.00 C ATOM 0 H LEU A 342 45.992 -2.463 12.683 1.00 0.00 H new ATOM 0 HA LEU A 342 47.094 -4.761 13.669 1.00 0.00 H new ATOM 0 HB2 LEU A 342 48.111 -2.142 12.638 1.00 0.00 H new ATOM 0 HB3 LEU A 342 49.272 -3.104 13.532 1.00 0.00 H new ATOM 0 HG LEU A 342 48.663 -5.099 12.099 1.00 0.00 H new ATOM 0 HD11 LEU A 342 47.393 -4.683 10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 342 46.399 -4.354 11.457 1.00 0.00 H new ATOM 0 HD13 LEU A 342 47.100 -3.005 10.532 1.00 0.00 H new ATOM 0 HD21 LEU A 342 49.848 -4.281 10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 342 49.576 -2.602 10.603 1.00 0.00 H new ATOM 0 HD23 LEU A 342 50.618 -3.677 11.566 1.00 0.00 H new ATOM 552 N PRO A 343 47.518 -4.512 16.132 1.00 0.00 N ATOM 553 CA PRO A 343 47.857 -4.409 17.583 1.00 0.00 C ATOM 554 C PRO A 343 49.244 -3.810 17.811 1.00 0.00 C ATOM 555 O PRO A 343 50.202 -4.151 17.116 1.00 0.00 O ATOM 556 CB PRO A 343 47.824 -5.867 18.060 1.00 0.00 C ATOM 557 CG PRO A 343 46.941 -6.579 17.097 1.00 0.00 C ATOM 558 CD PRO A 343 47.116 -5.882 15.767 1.00 0.00 C ATOM 0 HA PRO A 343 47.169 -3.754 18.117 1.00 0.00 H new ATOM 0 HB2 PRO A 343 48.824 -6.300 18.069 1.00 0.00 H new ATOM 0 HB3 PRO A 343 47.436 -5.939 19.076 1.00 0.00 H new ATOM 0 HG2 PRO A 343 47.214 -7.632 17.023 1.00 0.00 H new ATOM 0 HG3 PRO A 343 45.901 -6.542 17.422 1.00 0.00 H new ATOM 0 HD2 PRO A 343 47.875 -6.371 15.157 1.00 0.00 H new ATOM 0 HD3 PRO A 343 46.192 -5.886 15.190 1.00 0.00 H new ATOM 566 N GLY A 344 49.344 -2.920 18.792 1.00 0.00 N ATOM 567 CA GLY A 344 50.614 -2.281 19.110 1.00 0.00 C ATOM 568 C GLY A 344 50.891 -1.113 18.173 1.00 0.00 C ATOM 569 O GLY A 344 51.919 -0.446 18.293 1.00 0.00 O ATOM 0 H GLY A 344 48.563 -2.626 19.379 1.00 0.00 H new ATOM 0 HA2 GLY A 344 50.599 -1.928 20.141 1.00 0.00 H new ATOM 0 HA3 GLY A 344 51.420 -3.011 19.035 1.00 0.00 H new ATOM 573 N VAL A 345 49.970 -0.870 17.244 1.00 0.00 N ATOM 574 CA VAL A 345 50.129 0.223 16.294 1.00 0.00 C ATOM 575 C VAL A 345 48.953 1.178 16.400 1.00 0.00 C ATOM 576 O VAL A 345 47.797 0.761 16.296 1.00 0.00 O ATOM 577 CB VAL A 345 50.218 -0.327 14.868 1.00 0.00 C ATOM 578 CG1 VAL A 345 50.402 0.829 13.885 1.00 0.00 C ATOM 579 CG2 VAL A 345 51.407 -1.285 14.766 1.00 0.00 C ATOM 0 H VAL A 345 49.113 -1.411 17.130 1.00 0.00 H new ATOM 0 HA VAL A 345 51.049 0.759 16.528 1.00 0.00 H new ATOM 0 HB VAL A 345 49.300 -0.862 14.626 1.00 0.00 H new ATOM 0 HG11 VAL A 345 50.465 0.437 12.870 1.00 0.00 H new ATOM 0 HG12 VAL A 345 49.553 1.508 13.959 1.00 0.00 H new ATOM 0 HG13 VAL A 345 51.319 1.367 14.124 1.00 0.00 H new ATOM 0 HG21 VAL A 345 51.472 -1.678 13.751 1.00 0.00 H new ATOM 0 HG22 VAL A 345 52.326 -0.751 15.008 1.00 0.00 H new ATOM 0 HG23 VAL A 345 51.271 -2.109 15.466 1.00 0.00 H new ATOM 589 N ASP A 346 49.252 2.459 16.605 1.00 0.00 N ATOM 590 CA ASP A 346 48.203 3.463 16.721 1.00 0.00 C ATOM 591 C ASP A 346 48.490 4.661 15.815 1.00 0.00 C ATOM 592 O ASP A 346 49.649 5.005 15.577 1.00 0.00 O ATOM 593 CB ASP A 346 48.093 3.936 18.173 1.00 0.00 C ATOM 594 CG ASP A 346 47.578 2.803 19.050 1.00 0.00 C ATOM 595 OD1 ASP A 346 47.112 1.821 18.498 1.00 0.00 O ATOM 596 OD2 ASP A 346 47.652 2.935 20.261 1.00 0.00 O ATOM 0 H ASP A 346 50.201 2.821 16.693 1.00 0.00 H new ATOM 0 HA ASP A 346 47.262 3.009 16.410 1.00 0.00 H new ATOM 0 HB2 ASP A 346 49.067 4.270 18.530 1.00 0.00 H new ATOM 0 HB3 ASP A 346 47.420 4.791 18.236 1.00 0.00 H new ATOM 601 N PRO A 347 47.465 5.305 15.317 1.00 0.00 N ATOM 602 CA PRO A 347 47.614 6.498 14.430 1.00 0.00 C ATOM 603 C PRO A 347 48.228 7.688 15.162 1.00 0.00 C ATOM 604 O PRO A 347 48.780 8.596 14.541 1.00 0.00 O ATOM 605 CB PRO A 347 46.181 6.804 13.982 1.00 0.00 C ATOM 606 CG PRO A 347 45.302 6.191 15.017 1.00 0.00 C ATOM 607 CD PRO A 347 46.045 4.973 15.537 1.00 0.00 C ATOM 0 HA PRO A 347 48.289 6.305 13.596 1.00 0.00 H new ATOM 0 HB2 PRO A 347 46.013 7.879 13.911 1.00 0.00 H new ATOM 0 HB3 PRO A 347 45.979 6.384 12.997 1.00 0.00 H new ATOM 0 HG2 PRO A 347 45.099 6.896 15.823 1.00 0.00 H new ATOM 0 HG3 PRO A 347 44.339 5.907 14.592 1.00 0.00 H new ATOM 0 HD2 PRO A 347 45.834 4.796 16.592 1.00 0.00 H new ATOM 0 HD3 PRO A 347 45.758 4.070 14.999 1.00 0.00 H new ATOM 615 N ASN A 348 48.127 7.675 16.487 1.00 0.00 N ATOM 616 CA ASN A 348 48.674 8.758 17.296 1.00 0.00 C ATOM 617 C ASN A 348 50.198 8.704 17.304 1.00 0.00 C ATOM 618 O ASN A 348 50.860 9.670 17.685 1.00 0.00 O ATOM 619 CB ASN A 348 48.149 8.657 18.731 1.00 0.00 C ATOM 620 CG ASN A 348 46.649 8.928 18.758 1.00 0.00 C ATOM 621 OD1 ASN A 348 45.869 8.069 19.169 1.00 0.00 O ATOM 622 ND2 ASN A 348 46.196 10.079 18.345 1.00 0.00 N ATOM 0 H ASN A 348 47.675 6.932 17.020 1.00 0.00 H new ATOM 0 HA ASN A 348 48.358 9.706 16.861 1.00 0.00 H new ATOM 0 HB2 ASN A 348 48.355 7.665 19.133 1.00 0.00 H new ATOM 0 HB3 ASN A 348 48.668 9.373 19.368 1.00 0.00 H new ATOM 0 HD21 ASN A 348 45.194 10.269 18.362 1.00 0.00 H new ATOM 0 HD22 ASN A 348 46.844 10.790 18.005 1.00 0.00 H new ATOM 629 N ASN A 349 50.749 7.569 16.881 1.00 0.00 N ATOM 630 CA ASN A 349 52.195 7.402 16.844 1.00 0.00 C ATOM 631 C ASN A 349 52.815 8.343 15.815 1.00 0.00 C ATOM 632 O ASN A 349 52.261 8.553 14.734 1.00 0.00 O ATOM 633 CB ASN A 349 52.543 5.955 16.491 1.00 0.00 C ATOM 634 CG ASN A 349 52.192 5.037 17.657 1.00 0.00 C ATOM 635 OD1 ASN A 349 52.080 5.492 18.796 1.00 0.00 O ATOM 636 ND2 ASN A 349 52.008 3.763 17.441 1.00 0.00 N ATOM 0 H ASN A 349 50.219 6.758 16.562 1.00 0.00 H new ATOM 0 HA ASN A 349 52.597 7.642 17.828 1.00 0.00 H new ATOM 0 HB2 ASN A 349 51.998 5.648 15.598 1.00 0.00 H new ATOM 0 HB3 ASN A 349 53.605 5.873 16.260 1.00 0.00 H new ATOM 0 HD21 ASN A 349 51.771 3.143 18.216 1.00 0.00 H new ATOM 0 HD22 ASN A 349 52.101 3.387 16.497 1.00 0.00 H new ATOM 643 N GLU A 350 53.964 8.909 16.161 1.00 0.00 N ATOM 644 CA GLU A 350 54.650 9.830 15.260 1.00 0.00 C ATOM 645 C GLU A 350 55.113 9.102 14.001 1.00 0.00 C ATOM 646 O GLU A 350 55.190 9.695 12.925 1.00 0.00 O ATOM 647 CB GLU A 350 55.858 10.449 15.970 1.00 0.00 C ATOM 648 CG GLU A 350 56.912 9.368 16.235 1.00 0.00 C ATOM 649 CD GLU A 350 58.019 9.926 17.122 1.00 0.00 C ATOM 650 OE1 GLU A 350 57.905 11.069 17.531 1.00 0.00 O ATOM 651 OE2 GLU A 350 58.968 9.201 17.376 1.00 0.00 O ATOM 0 H GLU A 350 54.438 8.750 17.050 1.00 0.00 H new ATOM 0 HA GLU A 350 53.954 10.618 14.974 1.00 0.00 H new ATOM 0 HB2 GLU A 350 56.284 11.243 15.357 1.00 0.00 H new ATOM 0 HB3 GLU A 350 55.546 10.904 16.910 1.00 0.00 H new ATOM 0 HG2 GLU A 350 56.449 8.507 16.716 1.00 0.00 H new ATOM 0 HG3 GLU A 350 57.332 9.019 15.292 1.00 0.00 H new ATOM 658 N ALA A 351 55.419 7.815 14.145 1.00 0.00 N ATOM 659 CA ALA A 351 55.875 7.022 13.011 1.00 0.00 C ATOM 660 C ALA A 351 54.796 6.964 11.938 1.00 0.00 C ATOM 661 O ALA A 351 55.080 7.105 10.748 1.00 0.00 O ATOM 662 CB ALA A 351 56.225 5.604 13.475 1.00 0.00 C ATOM 0 H ALA A 351 55.360 7.305 15.026 1.00 0.00 H new ATOM 0 HA ALA A 351 56.764 7.492 12.589 1.00 0.00 H new ATOM 0 HB1 ALA A 351 56.565 5.016 12.623 1.00 0.00 H new ATOM 0 HB2 ALA A 351 57.017 5.651 14.223 1.00 0.00 H new ATOM 0 HB3 ALA A 351 55.342 5.135 13.910 1.00 0.00 H new ATOM 668 N ILE A 352 53.555 6.763 12.366 1.00 0.00 N ATOM 669 CA ILE A 352 52.437 6.696 11.434 1.00 0.00 C ATOM 670 C ILE A 352 52.230 8.039 10.759 1.00 0.00 C ATOM 671 O ILE A 352 52.021 8.112 9.553 1.00 0.00 O ATOM 672 CB ILE A 352 51.160 6.280 12.168 1.00 0.00 C ATOM 673 CG1 ILE A 352 51.334 4.862 12.736 1.00 0.00 C ATOM 674 CG2 ILE A 352 49.971 6.305 11.204 1.00 0.00 C ATOM 675 CD1 ILE A 352 51.590 3.844 11.613 1.00 0.00 C ATOM 0 H ILE A 352 53.299 6.644 13.346 1.00 0.00 H new ATOM 0 HA ILE A 352 52.667 5.951 10.672 1.00 0.00 H new ATOM 0 HB ILE A 352 50.972 6.979 12.983 1.00 0.00 H new ATOM 0 HG12 ILE A 352 52.166 4.848 13.440 1.00 0.00 H new ATOM 0 HG13 ILE A 352 50.441 4.578 13.292 1.00 0.00 H new ATOM 0 HG21 ILE A 352 49.066 6.008 11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 352 49.845 7.313 10.808 1.00 0.00 H new ATOM 0 HG23 ILE A 352 50.154 5.612 10.382 1.00 0.00 H new ATOM 0 HD11 ILE A 352 51.709 2.850 12.043 1.00 0.00 H new ATOM 0 HD12 ILE A 352 50.745 3.842 10.924 1.00 0.00 H new ATOM 0 HD13 ILE A 352 52.497 4.117 11.074 1.00 0.00 H new ATOM 687 N ARG A 353 52.284 9.100 11.547 1.00 0.00 N ATOM 688 CA ARG A 353 52.092 10.442 11.011 1.00 0.00 C ATOM 689 C ARG A 353 53.158 10.766 9.969 1.00 0.00 C ATOM 690 O ARG A 353 52.854 11.282 8.894 1.00 0.00 O ATOM 691 CB ARG A 353 52.147 11.469 12.142 1.00 0.00 C ATOM 692 CG ARG A 353 51.857 12.865 11.585 1.00 0.00 C ATOM 693 CD ARG A 353 51.815 13.875 12.732 1.00 0.00 C ATOM 694 NE ARG A 353 51.496 15.204 12.221 1.00 0.00 N ATOM 695 CZ ARG A 353 52.436 15.989 11.708 1.00 0.00 C ATOM 696 NH1 ARG A 353 52.122 17.172 11.258 1.00 0.00 N ATOM 697 NH2 ARG A 353 53.671 15.575 11.650 1.00 0.00 N ATOM 0 H ARG A 353 52.457 9.062 12.551 1.00 0.00 H new ATOM 0 HA ARG A 353 51.114 10.483 10.532 1.00 0.00 H new ATOM 0 HB2 ARG A 353 51.419 11.216 12.912 1.00 0.00 H new ATOM 0 HB3 ARG A 353 53.129 11.452 12.614 1.00 0.00 H new ATOM 0 HG2 ARG A 353 52.626 13.148 10.866 1.00 0.00 H new ATOM 0 HG3 ARG A 353 50.906 12.865 11.052 1.00 0.00 H new ATOM 0 HD2 ARG A 353 51.069 13.571 13.467 1.00 0.00 H new ATOM 0 HD3 ARG A 353 52.777 13.895 13.244 1.00 0.00 H new ATOM 0 HE ARG A 353 50.532 15.536 12.259 1.00 0.00 H new ATOM 0 HH11 ARG A 353 51.155 17.494 11.300 1.00 0.00 H new ATOM 0 HH12 ARG A 353 52.843 17.776 10.864 1.00 0.00 H new ATOM 0 HH21 ARG A 353 53.915 14.648 11.999 1.00 0.00 H new ATOM 0 HH22 ARG A 353 54.393 16.178 11.256 1.00 0.00 H new ATOM 711 N ASN A 354 54.408 10.459 10.295 1.00 0.00 N ATOM 712 CA ASN A 354 55.510 10.722 9.380 1.00 0.00 C ATOM 713 C ASN A 354 55.362 9.902 8.104 1.00 0.00 C ATOM 714 O ASN A 354 55.597 10.401 7.003 1.00 0.00 O ATOM 715 CB ASN A 354 56.840 10.386 10.055 1.00 0.00 C ATOM 716 CG ASN A 354 58.000 10.880 9.198 1.00 0.00 C ATOM 717 OD1 ASN A 354 57.882 11.901 8.520 1.00 0.00 O ATOM 718 ND2 ASN A 354 59.121 10.213 9.188 1.00 0.00 N ATOM 0 H ASN A 354 54.682 10.031 11.179 1.00 0.00 H new ATOM 0 HA ASN A 354 55.492 11.780 9.118 1.00 0.00 H new ATOM 0 HB2 ASN A 354 56.883 10.848 11.041 1.00 0.00 H new ATOM 0 HB3 ASN A 354 56.920 9.309 10.204 1.00 0.00 H new ATOM 0 HD21 ASN A 354 59.902 10.537 8.618 1.00 0.00 H new ATOM 0 HD22 ASN A 354 59.216 9.367 9.751 1.00 0.00 H new ATOM 725 N ALA A 355 54.976 8.639 8.260 1.00 0.00 N ATOM 726 CA ALA A 355 54.805 7.759 7.112 1.00 0.00 C ATOM 727 C ALA A 355 53.722 8.291 6.179 1.00 0.00 C ATOM 728 O ALA A 355 53.885 8.289 4.959 1.00 0.00 O ATOM 729 CB ALA A 355 54.427 6.356 7.584 1.00 0.00 C ATOM 0 H ALA A 355 54.778 8.206 9.162 1.00 0.00 H new ATOM 0 HA ALA A 355 55.748 7.720 6.567 1.00 0.00 H new ATOM 0 HB1 ALA A 355 54.301 5.703 6.720 1.00 0.00 H new ATOM 0 HB2 ALA A 355 55.217 5.962 8.224 1.00 0.00 H new ATOM 0 HB3 ALA A 355 53.494 6.400 8.145 1.00 0.00 H new ATOM 735 N MET A 356 52.620 8.748 6.759 1.00 0.00 N ATOM 736 CA MET A 356 51.520 9.283 5.966 1.00 0.00 C ATOM 737 C MET A 356 51.959 10.537 5.220 1.00 0.00 C ATOM 738 O MET A 356 51.580 10.749 4.067 1.00 0.00 O ATOM 739 CB MET A 356 50.338 9.617 6.878 1.00 0.00 C ATOM 740 CG MET A 356 49.710 8.329 7.422 1.00 0.00 C ATOM 741 SD MET A 356 48.920 7.412 6.075 1.00 0.00 S ATOM 742 CE MET A 356 50.069 6.011 6.031 1.00 0.00 C ATOM 0 H MET A 356 52.464 8.760 7.767 1.00 0.00 H new ATOM 0 HA MET A 356 51.218 8.529 5.239 1.00 0.00 H new ATOM 0 HB2 MET A 356 50.672 10.244 7.704 1.00 0.00 H new ATOM 0 HB3 MET A 356 49.593 10.189 6.325 1.00 0.00 H new ATOM 0 HG2 MET A 356 50.475 7.712 7.894 1.00 0.00 H new ATOM 0 HG3 MET A 356 48.975 8.569 8.190 1.00 0.00 H new ATOM 0 HE1 MET A 356 49.954 5.476 5.088 1.00 0.00 H new ATOM 0 HE2 MET A 356 51.092 6.377 6.118 1.00 0.00 H new ATOM 0 HE3 MET A 356 49.853 5.337 6.860 1.00 0.00 H new ATOM 752 N GLY A 357 52.757 11.368 5.883 1.00 0.00 N ATOM 753 CA GLY A 357 53.237 12.598 5.267 1.00 0.00 C ATOM 754 C GLY A 357 54.094 12.300 4.041 1.00 0.00 C ATOM 755 O GLY A 357 53.951 12.943 3.001 1.00 0.00 O ATOM 0 H GLY A 357 53.082 11.214 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 357 52.389 13.219 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 357 53.819 13.168 5.991 1.00 0.00 H new ATOM 759 N SER A 358 54.980 11.316 4.169 1.00 0.00 N ATOM 760 CA SER A 358 55.852 10.937 3.062 1.00 0.00 C ATOM 761 C SER A 358 55.041 10.318 1.932 1.00 0.00 C ATOM 762 O SER A 358 55.350 10.510 0.757 1.00 0.00 O ATOM 763 CB SER A 358 56.907 9.942 3.547 1.00 0.00 C ATOM 764 OG SER A 358 56.266 8.750 3.980 1.00 0.00 O ATOM 0 H SER A 358 55.112 10.771 5.021 1.00 0.00 H new ATOM 0 HA SER A 358 56.347 11.833 2.687 1.00 0.00 H new ATOM 0 HB2 SER A 358 57.610 9.719 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 358 57.484 10.376 4.364 1.00 0.00 H new ATOM 0 HG SER A 358 55.414 8.974 4.409 1.00 0.00 H new ATOM 770 N LEU A 359 54.004 9.572 2.293 1.00 0.00 N ATOM 771 CA LEU A 359 53.168 8.923 1.295 1.00 0.00 C ATOM 772 C LEU A 359 52.561 9.969 0.367 1.00 0.00 C ATOM 773 O LEU A 359 52.555 9.803 -0.853 1.00 0.00 O ATOM 774 CB LEU A 359 52.048 8.132 1.987 1.00 0.00 C ATOM 775 CG LEU A 359 51.177 7.426 0.938 1.00 0.00 C ATOM 776 CD1 LEU A 359 52.028 6.427 0.151 1.00 0.00 C ATOM 777 CD2 LEU A 359 50.037 6.685 1.637 1.00 0.00 C ATOM 0 H LEU A 359 53.725 9.403 3.260 1.00 0.00 H new ATOM 0 HA LEU A 359 53.781 8.238 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 359 52.478 7.398 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 359 51.435 8.804 2.588 1.00 0.00 H new ATOM 0 HG LEU A 359 50.764 8.167 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 359 51.408 5.927 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 359 52.840 6.955 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 359 52.444 5.686 0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 359 49.418 6.184 0.893 1.00 0.00 H new ATOM 0 HD22 LEU A 359 50.450 5.946 2.323 1.00 0.00 H new ATOM 0 HD23 LEU A 359 49.428 7.397 2.195 1.00 0.00 H new ATOM 789 N ALA A 360 52.056 11.048 0.952 1.00 0.00 N ATOM 790 CA ALA A 360 51.452 12.118 0.165 1.00 0.00 C ATOM 791 C ALA A 360 52.497 13.171 -0.186 1.00 0.00 C ATOM 792 O ALA A 360 52.224 14.103 -0.942 1.00 0.00 O ATOM 793 CB ALA A 360 50.306 12.766 0.945 1.00 0.00 C ATOM 0 H ALA A 360 52.052 11.206 1.960 1.00 0.00 H new ATOM 0 HA ALA A 360 51.058 11.689 -0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 360 49.864 13.563 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 360 49.547 12.016 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 360 50.689 13.182 1.877 1.00 0.00 H new ATOM 1099 N LYS B 25 36.934 -6.028 -2.907 1.00 0.00 N ATOM 1100 CA LYS B 25 38.295 -5.614 -3.224 1.00 0.00 C ATOM 1101 C LYS B 25 38.949 -4.954 -2.014 1.00 0.00 C ATOM 1102 O LYS B 25 40.137 -5.148 -1.756 1.00 0.00 O ATOM 1103 CB LYS B 25 38.286 -4.637 -4.398 1.00 0.00 C ATOM 1104 CG LYS B 25 37.902 -5.383 -5.680 1.00 0.00 C ATOM 1105 CD LYS B 25 38.081 -4.470 -6.896 1.00 0.00 C ATOM 1106 CE LYS B 25 36.991 -3.393 -6.911 1.00 0.00 C ATOM 1107 NZ LYS B 25 37.000 -2.705 -8.227 1.00 0.00 N ATOM 0 HA LYS B 25 38.869 -6.500 -3.496 1.00 0.00 H new ATOM 0 HB2 LYS B 25 37.578 -3.830 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS B 25 39.269 -4.179 -4.511 1.00 0.00 H new ATOM 0 HG2 LYS B 25 38.521 -6.274 -5.790 1.00 0.00 H new ATOM 0 HG3 LYS B 25 36.867 -5.719 -5.618 1.00 0.00 H new ATOM 0 HD2 LYS B 25 39.065 -4.002 -6.867 1.00 0.00 H new ATOM 0 HD3 LYS B 25 38.034 -5.058 -7.812 1.00 0.00 H new ATOM 0 HE2 LYS B 25 36.015 -3.844 -6.730 1.00 0.00 H new ATOM 0 HE3 LYS B 25 37.163 -2.674 -6.110 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 36.261 -1.973 -8.241 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 37.929 -2.263 -8.381 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 36.816 -3.397 -8.982 1.00 0.00 H new ATOM 1121 N ARG B 26 38.170 -4.168 -1.277 1.00 0.00 N ATOM 1122 CA ARG B 26 38.693 -3.485 -0.097 1.00 0.00 C ATOM 1123 C ARG B 26 39.161 -4.498 0.943 1.00 0.00 C ATOM 1124 O ARG B 26 40.217 -4.333 1.555 1.00 0.00 O ATOM 1125 CB ARG B 26 37.601 -2.600 0.508 1.00 0.00 C ATOM 1126 CG ARG B 26 37.342 -1.408 -0.414 1.00 0.00 C ATOM 1127 CD ARG B 26 36.132 -0.625 0.094 1.00 0.00 C ATOM 1128 NE ARG B 26 35.896 0.544 -0.750 1.00 0.00 N ATOM 1129 CZ ARG B 26 34.826 1.313 -0.577 1.00 0.00 C ATOM 1130 NH1 ARG B 26 33.964 1.031 0.361 1.00 0.00 N ATOM 1131 NH2 ARG B 26 34.636 2.350 -1.347 1.00 0.00 N ATOM 0 H ARG B 26 37.185 -3.989 -1.472 1.00 0.00 H new ATOM 0 HA ARG B 26 39.542 -2.871 -0.396 1.00 0.00 H new ATOM 0 HB2 ARG B 26 36.685 -3.175 0.643 1.00 0.00 H new ATOM 0 HB3 ARG B 26 37.906 -2.251 1.495 1.00 0.00 H new ATOM 0 HG2 ARG B 26 38.219 -0.762 -0.446 1.00 0.00 H new ATOM 0 HG3 ARG B 26 37.163 -1.754 -1.432 1.00 0.00 H new ATOM 0 HD2 ARG B 26 35.250 -1.265 0.095 1.00 0.00 H new ATOM 0 HD3 ARG B 26 36.300 -0.311 1.124 1.00 0.00 H new ATOM 0 HE ARG B 26 36.565 0.774 -1.485 1.00 0.00 H new ATOM 0 HH11 ARG B 26 34.111 0.220 0.962 1.00 0.00 H new ATOM 0 HH12 ARG B 26 33.143 1.622 0.493 1.00 0.00 H new ATOM 0 HH21 ARG B 26 35.309 2.570 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG B 26 33.815 2.940 -1.214 1.00 0.00 H new ATOM 1145 N ALA B 27 38.373 -5.551 1.134 1.00 0.00 N ATOM 1146 CA ALA B 27 38.725 -6.589 2.098 1.00 0.00 C ATOM 1147 C ALA B 27 40.035 -7.262 1.697 1.00 0.00 C ATOM 1148 O ALA B 27 40.876 -7.565 2.544 1.00 0.00 O ATOM 1149 CB ALA B 27 37.610 -7.635 2.177 1.00 0.00 C ATOM 0 H ALA B 27 37.495 -5.708 0.640 1.00 0.00 H new ATOM 0 HA ALA B 27 38.850 -6.125 3.076 1.00 0.00 H new ATOM 0 HB1 ALA B 27 37.883 -8.404 2.899 1.00 0.00 H new ATOM 0 HB2 ALA B 27 36.683 -7.156 2.491 1.00 0.00 H new ATOM 0 HB3 ALA B 27 37.469 -8.091 1.197 1.00 0.00 H new ATOM 1155 N ALA B 28 40.201 -7.489 0.398 1.00 0.00 N ATOM 1156 CA ALA B 28 41.412 -8.125 -0.106 1.00 0.00 C ATOM 1157 C ALA B 28 42.633 -7.271 0.219 1.00 0.00 C ATOM 1158 O ALA B 28 43.689 -7.791 0.581 1.00 0.00 O ATOM 1159 CB ALA B 28 41.311 -8.317 -1.621 1.00 0.00 C ATOM 0 H ALA B 28 39.518 -7.244 -0.319 1.00 0.00 H new ATOM 0 HA ALA B 28 41.519 -9.097 0.375 1.00 0.00 H new ATOM 0 HB1 ALA B 28 42.220 -8.793 -1.989 1.00 0.00 H new ATOM 0 HB2 ALA B 28 40.453 -8.948 -1.851 1.00 0.00 H new ATOM 0 HB3 ALA B 28 41.188 -7.347 -2.103 1.00 0.00 H new ATOM 1165 N ALA B 29 42.483 -5.955 0.085 1.00 0.00 N ATOM 1166 CA ALA B 29 43.584 -5.039 0.366 1.00 0.00 C ATOM 1167 C ALA B 29 44.022 -5.163 1.823 1.00 0.00 C ATOM 1168 O ALA B 29 45.217 -5.193 2.121 1.00 0.00 O ATOM 1169 CB ALA B 29 43.149 -3.596 0.084 1.00 0.00 C ATOM 0 H ALA B 29 41.619 -5.503 -0.213 1.00 0.00 H new ATOM 0 HA ALA B 29 44.423 -5.298 -0.280 1.00 0.00 H new ATOM 0 HB1 ALA B 29 43.976 -2.919 0.296 1.00 0.00 H new ATOM 0 HB2 ALA B 29 42.861 -3.501 -0.963 1.00 0.00 H new ATOM 0 HB3 ALA B 29 42.300 -3.341 0.718 1.00 0.00 H new ATOM 1175 N LYS B 30 43.047 -5.242 2.722 1.00 0.00 N ATOM 1176 CA LYS B 30 43.341 -5.373 4.144 1.00 0.00 C ATOM 1177 C LYS B 30 44.039 -6.698 4.427 1.00 0.00 C ATOM 1178 O LYS B 30 44.982 -6.758 5.215 1.00 0.00 O ATOM 1179 CB LYS B 30 42.050 -5.285 4.962 1.00 0.00 C ATOM 1180 CG LYS B 30 42.375 -5.390 6.456 1.00 0.00 C ATOM 1181 CD LYS B 30 41.090 -5.248 7.270 1.00 0.00 C ATOM 1182 CE LYS B 30 41.417 -5.352 8.760 1.00 0.00 C ATOM 1183 NZ LYS B 30 40.166 -5.199 9.554 1.00 0.00 N ATOM 0 H LYS B 30 42.053 -5.218 2.494 1.00 0.00 H new ATOM 0 HA LYS B 30 44.004 -4.557 4.432 1.00 0.00 H new ATOM 0 HB2 LYS B 30 41.542 -4.343 4.756 1.00 0.00 H new ATOM 0 HB3 LYS B 30 41.369 -6.085 4.671 1.00 0.00 H new ATOM 0 HG2 LYS B 30 42.849 -6.348 6.669 1.00 0.00 H new ATOM 0 HG3 LYS B 30 43.085 -4.613 6.740 1.00 0.00 H new ATOM 0 HD2 LYS B 30 40.616 -4.290 7.057 1.00 0.00 H new ATOM 0 HD3 LYS B 30 40.380 -6.025 6.987 1.00 0.00 H new ATOM 0 HE2 LYS B 30 41.882 -6.314 8.975 1.00 0.00 H new ATOM 0 HE3 LYS B 30 42.135 -4.581 9.040 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 40.385 -5.286 10.567 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 39.750 -4.264 9.369 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 39.489 -5.940 9.281 1.00 0.00 H new ATOM 1197 N HIS B 31 43.561 -7.759 3.788 1.00 0.00 N ATOM 1198 CA HIS B 31 44.140 -9.079 3.993 1.00 0.00 C ATOM 1199 C HIS B 31 45.605 -9.094 3.576 1.00 0.00 C ATOM 1200 O HIS B 31 46.450 -9.648 4.275 1.00 0.00 O ATOM 1201 CB HIS B 31 43.368 -10.116 3.171 1.00 0.00 C ATOM 1202 CG HIS B 31 41.997 -10.309 3.758 1.00 0.00 C ATOM 1203 ND1 HIS B 31 41.014 -11.048 3.116 1.00 0.00 N ATOM 1204 CD2 HIS B 31 41.428 -9.863 4.924 1.00 0.00 C ATOM 1205 CE1 HIS B 31 39.917 -11.025 3.894 1.00 0.00 C ATOM 1206 NE2 HIS B 31 40.115 -10.315 5.009 1.00 0.00 N ATOM 0 H HIS B 31 42.782 -7.732 3.130 1.00 0.00 H new ATOM 0 HA HIS B 31 44.073 -9.324 5.053 1.00 0.00 H new ATOM 0 HB2 HIS B 31 43.288 -9.787 2.135 1.00 0.00 H new ATOM 0 HB3 HIS B 31 43.908 -11.063 3.163 1.00 0.00 H new ATOM 0 HD2 HIS B 31 41.924 -9.253 5.664 1.00 0.00 H new ATOM 0 HE1 HIS B 31 38.989 -11.520 3.648 1.00 0.00 H new ATOM 0 HE2 HIS B 31 39.447 -10.142 5.760 1.00 0.00 H new ATOM 1215 N LEU B 32 45.906 -8.476 2.441 1.00 0.00 N ATOM 1216 CA LEU B 32 47.278 -8.435 1.957 1.00 0.00 C ATOM 1217 C LEU B 32 48.170 -7.705 2.950 1.00 0.00 C ATOM 1218 O LEU B 32 49.257 -8.174 3.275 1.00 0.00 O ATOM 1219 CB LEU B 32 47.322 -7.717 0.604 1.00 0.00 C ATOM 1220 CG LEU B 32 46.665 -8.593 -0.468 1.00 0.00 C ATOM 1221 CD1 LEU B 32 46.526 -7.798 -1.769 1.00 0.00 C ATOM 1222 CD2 LEU B 32 47.519 -9.842 -0.722 1.00 0.00 C ATOM 0 H LEU B 32 45.227 -8.002 1.845 1.00 0.00 H new ATOM 0 HA LEU B 32 47.642 -9.456 1.843 1.00 0.00 H new ATOM 0 HB2 LEU B 32 46.805 -6.760 0.672 1.00 0.00 H new ATOM 0 HB3 LEU B 32 48.355 -7.502 0.329 1.00 0.00 H new ATOM 0 HG LEU B 32 45.678 -8.898 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU B 32 46.059 -8.424 -2.529 1.00 0.00 H new ATOM 0 HD12 LEU B 32 45.908 -6.918 -1.593 1.00 0.00 H new ATOM 0 HD13 LEU B 32 47.513 -7.486 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU B 32 47.044 -10.458 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU B 32 48.510 -9.542 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU B 32 47.610 -10.414 0.201 1.00 0.00 H new ATOM 1234 N ILE B 33 47.696 -6.566 3.440 1.00 0.00 N ATOM 1235 CA ILE B 33 48.463 -5.784 4.403 1.00 0.00 C ATOM 1236 C ILE B 33 48.679 -6.585 5.681 1.00 0.00 C ATOM 1237 O ILE B 33 49.776 -6.602 6.238 1.00 0.00 O ATOM 1238 CB ILE B 33 47.728 -4.483 4.721 1.00 0.00 C ATOM 1239 CG1 ILE B 33 47.734 -3.583 3.481 1.00 0.00 C ATOM 1240 CG2 ILE B 33 48.439 -3.766 5.870 1.00 0.00 C ATOM 1241 CD1 ILE B 33 46.753 -2.427 3.686 1.00 0.00 C ATOM 0 H ILE B 33 46.792 -6.165 3.189 1.00 0.00 H new ATOM 0 HA ILE B 33 49.435 -5.548 3.969 1.00 0.00 H new ATOM 0 HB ILE B 33 46.700 -4.704 5.009 1.00 0.00 H new ATOM 0 HG12 ILE B 33 48.737 -3.196 3.304 1.00 0.00 H new ATOM 0 HG13 ILE B 33 47.455 -4.159 2.599 1.00 0.00 H new ATOM 0 HG21 ILE B 33 47.916 -2.837 6.098 1.00 0.00 H new ATOM 0 HG22 ILE B 33 48.443 -4.407 6.752 1.00 0.00 H new ATOM 0 HG23 ILE B 33 49.466 -3.542 5.580 1.00 0.00 H new ATOM 0 HD11 ILE B 33 46.757 -1.786 2.804 1.00 0.00 H new ATOM 0 HD12 ILE B 33 45.750 -2.824 3.842 1.00 0.00 H new ATOM 0 HD13 ILE B 33 47.053 -1.846 4.558 1.00 0.00 H new ATOM 1253 N GLU B 34 47.621 -7.248 6.139 1.00 0.00 N ATOM 1254 CA GLU B 34 47.702 -8.052 7.350 1.00 0.00 C ATOM 1255 C GLU B 34 48.705 -9.182 7.171 1.00 0.00 C ATOM 1256 O GLU B 34 49.490 -9.472 8.074 1.00 0.00 O ATOM 1257 CB GLU B 34 46.326 -8.630 7.690 1.00 0.00 C ATOM 1258 CG GLU B 34 46.417 -9.454 8.978 1.00 0.00 C ATOM 1259 CD GLU B 34 45.031 -9.935 9.390 1.00 0.00 C ATOM 1260 OE1 GLU B 34 44.086 -9.635 8.681 1.00 0.00 O ATOM 1261 OE2 GLU B 34 44.936 -10.597 10.411 1.00 0.00 O ATOM 0 H GLU B 34 46.704 -7.244 5.692 1.00 0.00 H new ATOM 0 HA GLU B 34 48.034 -7.413 8.168 1.00 0.00 H new ATOM 0 HB2 GLU B 34 45.602 -7.824 7.813 1.00 0.00 H new ATOM 0 HB3 GLU B 34 45.971 -9.255 6.871 1.00 0.00 H new ATOM 0 HG2 GLU B 34 47.077 -10.308 8.827 1.00 0.00 H new ATOM 0 HG3 GLU B 34 46.853 -8.851 9.775 1.00 0.00 H new ATOM 1268 N ARG B 35 48.674 -9.822 6.004 1.00 0.00 N ATOM 1269 CA ARG B 35 49.591 -10.921 5.732 1.00 0.00 C ATOM 1270 C ARG B 35 51.037 -10.446 5.771 1.00 0.00 C ATOM 1271 O ARG B 35 51.901 -11.112 6.343 1.00 0.00 O ATOM 1272 CB ARG B 35 49.287 -11.518 4.356 1.00 0.00 C ATOM 1273 CG ARG B 35 47.989 -12.326 4.419 1.00 0.00 C ATOM 1274 CD ARG B 35 47.557 -12.709 3.003 1.00 0.00 C ATOM 1275 NE ARG B 35 46.410 -13.608 3.050 1.00 0.00 N ATOM 1276 CZ ARG B 35 45.764 -13.958 1.944 1.00 0.00 C ATOM 1277 NH1 ARG B 35 46.151 -13.496 0.787 1.00 0.00 N ATOM 1278 NH2 ARG B 35 44.741 -14.768 2.014 1.00 0.00 N ATOM 0 H ARG B 35 48.032 -9.601 5.242 1.00 0.00 H new ATOM 0 HA ARG B 35 49.454 -11.680 6.503 1.00 0.00 H new ATOM 0 HB2 ARG B 35 49.196 -10.723 3.616 1.00 0.00 H new ATOM 0 HB3 ARG B 35 50.110 -12.158 4.037 1.00 0.00 H new ATOM 0 HG2 ARG B 35 48.135 -13.223 5.021 1.00 0.00 H new ATOM 0 HG3 ARG B 35 47.207 -11.741 4.903 1.00 0.00 H new ATOM 0 HD2 ARG B 35 47.302 -11.812 2.438 1.00 0.00 H new ATOM 0 HD3 ARG B 35 48.384 -13.190 2.481 1.00 0.00 H new ATOM 0 HE ARG B 35 46.098 -13.975 3.949 1.00 0.00 H new ATOM 0 HH11 ARG B 35 46.951 -12.865 0.731 1.00 0.00 H new ATOM 0 HH12 ARG B 35 45.654 -13.766 -0.062 1.00 0.00 H new ATOM 0 HH21 ARG B 35 44.439 -15.131 2.918 1.00 0.00 H new ATOM 0 HH22 ARG B 35 44.244 -15.037 1.165 1.00 0.00 H new ATOM 1292 N TYR B 36 51.295 -9.289 5.169 1.00 0.00 N ATOM 1293 CA TYR B 36 52.645 -8.743 5.151 1.00 0.00 C ATOM 1294 C TYR B 36 53.099 -8.395 6.564 1.00 0.00 C ATOM 1295 O TYR B 36 54.222 -8.700 6.960 1.00 0.00 O ATOM 1296 CB TYR B 36 52.684 -7.485 4.277 1.00 0.00 C ATOM 1297 CG TYR B 36 52.597 -7.874 2.820 1.00 0.00 C ATOM 1298 CD1 TYR B 36 51.574 -7.359 2.016 1.00 0.00 C ATOM 1299 CD2 TYR B 36 53.536 -8.756 2.274 1.00 0.00 C ATOM 1300 CE1 TYR B 36 51.487 -7.725 0.669 1.00 0.00 C ATOM 1301 CE2 TYR B 36 53.451 -9.120 0.925 1.00 0.00 C ATOM 1302 CZ TYR B 36 52.427 -8.605 0.122 1.00 0.00 C ATOM 1303 OH TYR B 36 52.344 -8.968 -1.207 1.00 0.00 O ATOM 0 H TYR B 36 50.596 -8.719 4.693 1.00 0.00 H new ATOM 0 HA TYR B 36 53.318 -9.495 4.740 1.00 0.00 H new ATOM 0 HB2 TYR B 36 51.857 -6.824 4.537 1.00 0.00 H new ATOM 0 HB3 TYR B 36 53.605 -6.931 4.461 1.00 0.00 H new ATOM 0 HD1 TYR B 36 50.850 -6.677 2.437 1.00 0.00 H new ATOM 0 HD2 TYR B 36 54.326 -9.156 2.893 1.00 0.00 H new ATOM 0 HE1 TYR B 36 50.695 -7.329 0.051 1.00 0.00 H new ATOM 0 HE2 TYR B 36 54.177 -9.799 0.503 1.00 0.00 H new ATOM 0 HH TYR B 36 53.246 -9.063 -1.577 1.00 0.00 H new ATOM 1313 N TYR B 37 52.212 -7.762 7.322 1.00 0.00 N ATOM 1314 CA TYR B 37 52.525 -7.382 8.693 1.00 0.00 C ATOM 1315 C TYR B 37 52.782 -8.611 9.552 1.00 0.00 C ATOM 1316 O TYR B 37 53.765 -8.670 10.290 1.00 0.00 O ATOM 1317 CB TYR B 37 51.380 -6.561 9.290 1.00 0.00 C ATOM 1318 CG TYR B 37 51.691 -6.237 10.732 1.00 0.00 C ATOM 1319 CD1 TYR B 37 52.684 -5.298 11.041 1.00 0.00 C ATOM 1320 CD2 TYR B 37 50.983 -6.870 11.760 1.00 0.00 C ATOM 1321 CE1 TYR B 37 52.968 -4.995 12.379 1.00 0.00 C ATOM 1322 CE2 TYR B 37 51.267 -6.567 13.097 1.00 0.00 C ATOM 1323 CZ TYR B 37 52.261 -5.630 13.407 1.00 0.00 C ATOM 1324 OH TYR B 37 52.543 -5.333 14.724 1.00 0.00 O ATOM 0 H TYR B 37 51.275 -7.502 7.012 1.00 0.00 H new ATOM 0 HA TYR B 37 53.430 -6.775 8.677 1.00 0.00 H new ATOM 0 HB2 TYR B 37 51.243 -5.641 8.721 1.00 0.00 H new ATOM 0 HB3 TYR B 37 50.446 -7.119 9.225 1.00 0.00 H new ATOM 0 HD1 TYR B 37 53.230 -4.808 10.248 1.00 0.00 H new ATOM 0 HD2 TYR B 37 50.217 -7.593 11.522 1.00 0.00 H new ATOM 0 HE1 TYR B 37 53.733 -4.271 12.618 1.00 0.00 H new ATOM 0 HE2 TYR B 37 50.720 -7.056 13.889 1.00 0.00 H new ATOM 0 HH TYR B 37 51.961 -5.861 15.310 1.00 0.00 H new ATOM 1334 N HIS B 38 51.885 -9.584 9.456 1.00 0.00 N ATOM 1335 CA HIS B 38 52.011 -10.807 10.236 1.00 0.00 C ATOM 1336 C HIS B 38 53.312 -11.525 9.901 1.00 0.00 C ATOM 1337 O HIS B 38 54.052 -11.939 10.792 1.00 0.00 O ATOM 1338 CB HIS B 38 50.829 -11.735 9.944 1.00 0.00 C ATOM 1339 CG HIS B 38 50.959 -12.992 10.761 1.00 0.00 C ATOM 1340 ND1 HIS B 38 51.330 -14.271 10.427 1.00 0.00 N flip ATOM 1341 CD2 HIS B 38 50.692 -13.018 12.122 1.00 0.00 C flip ATOM 1342 CE1 HIS B 38 51.292 -15.079 11.559 1.00 0.00 C flip ATOM 1343 NE2 HIS B 38 50.902 -14.275 12.551 1.00 0.00 N flip ATOM 0 H HIS B 38 51.066 -9.550 8.849 1.00 0.00 H new ATOM 0 HA HIS B 38 52.016 -10.542 11.293 1.00 0.00 H new ATOM 0 HB2 HIS B 38 49.892 -11.231 10.180 1.00 0.00 H new ATOM 0 HB3 HIS B 38 50.800 -11.981 8.882 1.00 0.00 H new ATOM 0 HD2 HIS B 38 50.374 -12.182 12.727 1.00 0.00 H new ATOM 0 HE1 HIS B 38 51.528 -16.131 11.622 1.00 0.00 H new ATOM 0 HE2 HIS B 38 50.778 -14.578 13.517 1.00 0.00 H new ATOM 1352 N GLN B 39 53.587 -11.670 8.611 1.00 0.00 N ATOM 1353 CA GLN B 39 54.805 -12.342 8.175 1.00 0.00 C ATOM 1354 C GLN B 39 56.062 -11.553 8.516 1.00 0.00 C ATOM 1355 O GLN B 39 57.087 -12.128 8.880 1.00 0.00 O ATOM 1356 CB GLN B 39 54.785 -12.528 6.657 1.00 0.00 C ATOM 1357 CG GLN B 39 54.833 -14.022 6.322 1.00 0.00 C ATOM 1358 CD GLN B 39 53.471 -14.483 5.816 1.00 0.00 C ATOM 1359 OE1 GLN B 39 52.439 -14.084 6.356 1.00 0.00 O ATOM 1360 NE2 GLN B 39 53.403 -15.308 4.807 1.00 0.00 N ATOM 0 H GLN B 39 52.990 -11.335 7.855 1.00 0.00 H new ATOM 0 HA GLN B 39 54.831 -13.298 8.698 1.00 0.00 H new ATOM 0 HB2 GLN B 39 53.884 -12.080 6.237 1.00 0.00 H new ATOM 0 HB3 GLN B 39 55.636 -12.016 6.206 1.00 0.00 H new ATOM 0 HG2 GLN B 39 55.595 -14.210 5.565 1.00 0.00 H new ATOM 0 HG3 GLN B 39 55.115 -14.593 7.207 1.00 0.00 H new ATOM 0 HE21 GLN B 39 54.258 -15.638 4.360 1.00 0.00 H new ATOM 0 HE22 GLN B 39 52.495 -15.622 4.466 1.00 0.00 H new ATOM 1369 N LEU B 40 55.963 -10.234 8.438 1.00 0.00 N ATOM 1370 CA LEU B 40 57.085 -9.378 8.789 1.00 0.00 C ATOM 1371 C LEU B 40 57.384 -9.463 10.284 1.00 0.00 C ATOM 1372 O LEU B 40 58.540 -9.576 10.689 1.00 0.00 O ATOM 1373 CB LEU B 40 56.766 -7.926 8.417 1.00 0.00 C ATOM 1374 CG LEU B 40 57.961 -7.024 8.755 1.00 0.00 C ATOM 1375 CD1 LEU B 40 59.179 -7.450 7.932 1.00 0.00 C ATOM 1376 CD2 LEU B 40 57.613 -5.571 8.433 1.00 0.00 C ATOM 0 H LEU B 40 55.124 -9.737 8.137 1.00 0.00 H new ATOM 0 HA LEU B 40 57.961 -9.717 8.236 1.00 0.00 H new ATOM 0 HB2 LEU B 40 56.536 -7.856 7.354 1.00 0.00 H new ATOM 0 HB3 LEU B 40 55.881 -7.589 8.957 1.00 0.00 H new ATOM 0 HG LEU B 40 58.192 -7.117 9.816 1.00 0.00 H new ATOM 0 HD11 LEU B 40 60.025 -6.807 8.175 1.00 0.00 H new ATOM 0 HD12 LEU B 40 59.431 -8.485 8.164 1.00 0.00 H new ATOM 0 HD13 LEU B 40 58.949 -7.362 6.870 1.00 0.00 H new ATOM 0 HD21 LEU B 40 58.462 -4.932 8.673 1.00 0.00 H new ATOM 0 HD22 LEU B 40 57.379 -5.479 7.372 1.00 0.00 H new ATOM 0 HD23 LEU B 40 56.749 -5.264 9.023 1.00 0.00 H new ATOM 1388 N THR B 41 56.336 -9.394 11.097 1.00 0.00 N ATOM 1389 CA THR B 41 56.503 -9.453 12.544 1.00 0.00 C ATOM 1390 C THR B 41 56.863 -10.864 12.990 1.00 0.00 C ATOM 1391 O THR B 41 57.523 -11.052 14.012 1.00 0.00 O ATOM 1392 CB THR B 41 55.215 -9.000 13.237 1.00 0.00 C ATOM 1393 OG1 THR B 41 54.147 -9.853 12.851 1.00 0.00 O ATOM 1394 CG2 THR B 41 54.896 -7.557 12.829 1.00 0.00 C ATOM 0 H THR B 41 55.370 -9.298 10.783 1.00 0.00 H new ATOM 0 HA THR B 41 57.317 -8.785 12.824 1.00 0.00 H new ATOM 0 HB THR B 41 55.345 -9.049 14.318 1.00 0.00 H new ATOM 0 HG1 THR B 41 53.821 -9.589 11.965 1.00 0.00 H new ATOM 0 HG21 THR B 41 53.979 -7.234 13.322 1.00 0.00 H new ATOM 0 HG22 THR B 41 55.717 -6.905 13.126 1.00 0.00 H new ATOM 0 HG23 THR B 41 54.765 -7.505 11.748 1.00 0.00 H new ATOM 1402 N GLU B 42 56.422 -11.852 12.218 1.00 0.00 N ATOM 1403 CA GLU B 42 56.704 -13.244 12.544 1.00 0.00 C ATOM 1404 C GLU B 42 57.812 -13.794 11.657 1.00 0.00 C ATOM 1405 O GLU B 42 58.960 -13.905 12.088 1.00 0.00 O ATOM 1406 CB GLU B 42 55.440 -14.087 12.364 1.00 0.00 C ATOM 1407 CG GLU B 42 54.334 -13.560 13.279 1.00 0.00 C ATOM 1408 CD GLU B 42 54.741 -13.724 14.739 1.00 0.00 C ATOM 1409 OE1 GLU B 42 55.604 -14.544 15.004 1.00 0.00 O ATOM 1410 OE2 GLU B 42 54.187 -13.024 15.570 1.00 0.00 O ATOM 0 H GLU B 42 55.873 -11.716 11.369 1.00 0.00 H new ATOM 0 HA GLU B 42 57.032 -13.292 13.582 1.00 0.00 H new ATOM 0 HB2 GLU B 42 55.113 -14.052 11.325 1.00 0.00 H new ATOM 0 HB3 GLU B 42 55.651 -15.131 12.597 1.00 0.00 H new ATOM 0 HG2 GLU B 42 54.142 -12.509 13.063 1.00 0.00 H new ATOM 0 HG3 GLU B 42 53.406 -14.099 13.089 1.00 0.00 H new ATOM 1417 N GLY B 43 57.462 -14.138 10.421 1.00 0.00 N ATOM 1418 CA GLY B 43 58.464 -14.582 9.452 1.00 0.00 C ATOM 1419 C GLY B 43 57.907 -15.788 8.709 1.00 0.00 C ATOM 1420 O GLY B 43 56.692 -15.968 8.614 1.00 0.00 O ATOM 0 H GLY B 43 56.505 -14.119 10.068 1.00 0.00 H new ATOM 0 HA2 GLY B 43 58.698 -13.779 8.752 1.00 0.00 H new ATOM 0 HA3 GLY B 43 59.393 -14.844 9.959 1.00 0.00 H new ATOM 1424 N CYS B 44 58.805 -16.616 8.187 1.00 0.00 N ATOM 1425 CA CYS B 44 58.393 -17.810 7.455 1.00 0.00 C ATOM 1426 C CYS B 44 58.452 -19.039 8.354 1.00 0.00 C ATOM 1427 O CYS B 44 57.919 -20.095 8.015 1.00 0.00 O ATOM 1428 CB CYS B 44 59.300 -18.018 6.237 1.00 0.00 C ATOM 1429 SG CYS B 44 61.040 -17.816 6.713 1.00 0.00 S ATOM 0 H CYS B 44 59.814 -16.485 8.255 1.00 0.00 H new ATOM 0 HA CYS B 44 57.365 -17.670 7.121 1.00 0.00 H new ATOM 0 HB2 CYS B 44 59.142 -19.013 5.822 1.00 0.00 H new ATOM 0 HB3 CYS B 44 59.043 -17.302 5.456 1.00 0.00 H new ATOM 0 HG CYS B 44 61.798 -17.997 5.673 1.00 0.00 H new ATOM 1434 N GLY B 45 59.091 -18.890 9.507 1.00 0.00 N ATOM 1435 CA GLY B 45 59.203 -19.990 10.456 1.00 0.00 C ATOM 1436 C GLY B 45 60.432 -20.841 10.164 1.00 0.00 C ATOM 1437 O GLY B 45 60.899 -21.593 11.021 1.00 0.00 O ATOM 0 H GLY B 45 59.537 -18.023 9.807 1.00 0.00 H new ATOM 0 HA2 GLY B 45 59.263 -19.595 11.470 1.00 0.00 H new ATOM 0 HA3 GLY B 45 58.308 -20.610 10.407 1.00 0.00 H new ATOM 1441 N ASN B 46 60.954 -20.716 8.948 1.00 0.00 N ATOM 1442 CA ASN B 46 62.127 -21.479 8.547 1.00 0.00 C ATOM 1443 C ASN B 46 63.375 -20.947 9.241 1.00 0.00 C ATOM 1444 O ASN B 46 63.531 -19.740 9.424 1.00 0.00 O ATOM 1445 CB ASN B 46 62.311 -21.397 7.030 1.00 0.00 C ATOM 1446 CG ASN B 46 61.085 -21.962 6.321 1.00 0.00 C ATOM 1447 OD1 ASN B 46 60.430 -21.257 5.554 1.00 0.00 O ATOM 1448 ND2 ASN B 46 60.733 -23.201 6.533 1.00 0.00 N ATOM 0 H ASN B 46 60.584 -20.096 8.227 1.00 0.00 H new ATOM 0 HA ASN B 46 61.977 -22.518 8.839 1.00 0.00 H new ATOM 0 HB2 ASN B 46 62.468 -20.361 6.731 1.00 0.00 H new ATOM 0 HB3 ASN B 46 63.200 -21.953 6.733 1.00 0.00 H new ATOM 0 HD21 ASN B 46 59.914 -23.586 6.063 1.00 0.00 H new ATOM 0 HD22 ASN B 46 61.277 -23.784 7.169 1.00 0.00 H new ATOM 1455 N GLU B 47 64.259 -21.859 9.625 1.00 0.00 N ATOM 1456 CA GLU B 47 65.494 -21.476 10.299 1.00 0.00 C ATOM 1457 C GLU B 47 66.354 -20.614 9.383 1.00 0.00 C ATOM 1458 O GLU B 47 66.979 -19.652 9.830 1.00 0.00 O ATOM 1459 CB GLU B 47 66.276 -22.723 10.715 1.00 0.00 C ATOM 1460 CG GLU B 47 65.538 -23.431 11.853 1.00 0.00 C ATOM 1461 CD GLU B 47 66.200 -24.773 12.148 1.00 0.00 C ATOM 1462 OE1 GLU B 47 66.992 -25.213 11.330 1.00 0.00 O ATOM 1463 OE2 GLU B 47 65.906 -25.340 13.187 1.00 0.00 O ATOM 0 H GLU B 47 64.146 -22.863 9.483 1.00 0.00 H new ATOM 0 HA GLU B 47 65.237 -20.900 11.188 1.00 0.00 H new ATOM 0 HB2 GLU B 47 66.387 -23.396 9.865 1.00 0.00 H new ATOM 0 HB3 GLU B 47 67.280 -22.446 11.035 1.00 0.00 H new ATOM 0 HG2 GLU B 47 65.547 -22.807 12.747 1.00 0.00 H new ATOM 0 HG3 GLU B 47 64.494 -23.583 11.581 1.00 0.00 H new ATOM 1470 N ALA B 48 66.380 -20.966 8.098 1.00 0.00 N ATOM 1471 CA ALA B 48 67.166 -20.218 7.121 1.00 0.00 C ATOM 1472 C ALA B 48 66.249 -19.506 6.131 1.00 0.00 C ATOM 1473 O ALA B 48 65.288 -20.091 5.630 1.00 0.00 O ATOM 1474 CB ALA B 48 68.100 -21.167 6.366 1.00 0.00 C ATOM 0 H ALA B 48 65.869 -21.760 7.712 1.00 0.00 H new ATOM 0 HA ALA B 48 67.759 -19.472 7.651 1.00 0.00 H new ATOM 0 HB1 ALA B 48 68.683 -20.602 5.639 1.00 0.00 H new ATOM 0 HB2 ALA B 48 68.773 -21.653 7.072 1.00 0.00 H new ATOM 0 HB3 ALA B 48 67.510 -21.923 5.849 1.00 0.00 H new ATOM 1480 N CYS B 49 66.549 -18.241 5.856 1.00 0.00 N ATOM 1481 CA CYS B 49 65.740 -17.463 4.926 1.00 0.00 C ATOM 1482 C CYS B 49 66.640 -16.628 4.017 1.00 0.00 C ATOM 1483 O CYS B 49 67.509 -15.896 4.491 1.00 0.00 O ATOM 1484 CB CYS B 49 64.793 -16.544 5.704 1.00 0.00 C ATOM 1485 SG CYS B 49 63.685 -15.704 4.551 1.00 0.00 S ATOM 0 H CYS B 49 67.339 -17.737 6.260 1.00 0.00 H new ATOM 0 HA CYS B 49 65.154 -18.146 4.312 1.00 0.00 H new ATOM 0 HB2 CYS B 49 64.215 -17.125 6.423 1.00 0.00 H new ATOM 0 HB3 CYS B 49 65.366 -15.812 6.273 1.00 0.00 H new ATOM 0 HG CYS B 49 62.616 -15.317 5.181 1.00 0.00 H new ATOM 1490 N THR B 50 66.428 -16.750 2.711 1.00 0.00 N ATOM 1491 CA THR B 50 67.228 -16.009 1.741 1.00 0.00 C ATOM 1492 C THR B 50 66.437 -14.832 1.175 1.00 0.00 C ATOM 1493 O THR B 50 66.865 -14.191 0.214 1.00 0.00 O ATOM 1494 CB THR B 50 67.651 -16.937 0.600 1.00 0.00 C ATOM 1495 OG1 THR B 50 66.495 -17.450 -0.047 1.00 0.00 O ATOM 1496 CG2 THR B 50 68.476 -18.097 1.164 1.00 0.00 C ATOM 0 H THR B 50 65.713 -17.351 2.301 1.00 0.00 H new ATOM 0 HA THR B 50 68.113 -15.624 2.247 1.00 0.00 H new ATOM 0 HB THR B 50 68.252 -16.379 -0.118 1.00 0.00 H new ATOM 0 HG1 THR B 50 66.766 -18.043 -0.779 1.00 0.00 H new ATOM 0 HG21 THR B 50 68.777 -18.758 0.351 1.00 0.00 H new ATOM 0 HG22 THR B 50 69.363 -17.705 1.661 1.00 0.00 H new ATOM 0 HG23 THR B 50 67.875 -18.655 1.882 1.00 0.00 H new ATOM 1504 N ASN B 51 65.285 -14.548 1.778 1.00 0.00 N ATOM 1505 CA ASN B 51 64.447 -13.449 1.327 1.00 0.00 C ATOM 1506 C ASN B 51 64.737 -12.194 2.141 1.00 0.00 C ATOM 1507 O ASN B 51 64.505 -12.159 3.349 1.00 0.00 O ATOM 1508 CB ASN B 51 62.973 -13.829 1.458 1.00 0.00 C ATOM 1509 CG ASN B 51 62.107 -12.819 0.713 1.00 0.00 C ATOM 1510 OD1 ASN B 51 62.407 -11.626 0.710 1.00 0.00 O ATOM 1511 ND2 ASN B 51 61.044 -13.226 0.076 1.00 0.00 N ATOM 0 H ASN B 51 64.915 -15.063 2.577 1.00 0.00 H new ATOM 0 HA ASN B 51 64.670 -13.245 0.280 1.00 0.00 H new ATOM 0 HB2 ASN B 51 62.809 -14.828 1.055 1.00 0.00 H new ATOM 0 HB3 ASN B 51 62.689 -13.859 2.510 1.00 0.00 H new ATOM 0 HD21 ASN B 51 60.461 -12.555 -0.425 1.00 0.00 H new ATOM 0 HD22 ASN B 51 60.795 -14.215 0.079 1.00 0.00 H new ATOM 1518 N GLU B 52 65.252 -11.170 1.474 1.00 0.00 N ATOM 1519 CA GLU B 52 65.580 -9.921 2.147 1.00 0.00 C ATOM 1520 C GLU B 52 64.333 -9.322 2.782 1.00 0.00 C ATOM 1521 O GLU B 52 64.397 -8.747 3.870 1.00 0.00 O ATOM 1522 CB GLU B 52 66.173 -8.925 1.145 1.00 0.00 C ATOM 1523 CG GLU B 52 67.559 -9.404 0.692 1.00 0.00 C ATOM 1524 CD GLU B 52 67.420 -10.496 -0.369 1.00 0.00 C ATOM 1525 OE1 GLU B 52 66.308 -10.735 -0.809 1.00 0.00 O ATOM 1526 OE2 GLU B 52 68.432 -11.081 -0.721 1.00 0.00 O ATOM 0 H GLU B 52 65.451 -11.179 0.474 1.00 0.00 H new ATOM 0 HA GLU B 52 66.313 -10.128 2.926 1.00 0.00 H new ATOM 0 HB2 GLU B 52 65.513 -8.826 0.283 1.00 0.00 H new ATOM 0 HB3 GLU B 52 66.251 -7.938 1.602 1.00 0.00 H new ATOM 0 HG2 GLU B 52 68.128 -8.566 0.289 1.00 0.00 H new ATOM 0 HG3 GLU B 52 68.117 -9.786 1.547 1.00 0.00 H new ATOM 1533 N PHE B 53 63.200 -9.455 2.103 1.00 0.00 N ATOM 1534 CA PHE B 53 61.953 -8.918 2.627 1.00 0.00 C ATOM 1535 C PHE B 53 61.183 -9.995 3.389 1.00 0.00 C ATOM 1536 O PHE B 53 60.053 -10.327 3.034 1.00 0.00 O ATOM 1537 CB PHE B 53 61.092 -8.399 1.474 1.00 0.00 C ATOM 1538 CG PHE B 53 61.945 -7.574 0.542 1.00 0.00 C ATOM 1539 CD1 PHE B 53 62.204 -8.031 -0.755 1.00 0.00 C ATOM 1540 CD2 PHE B 53 62.482 -6.356 0.976 1.00 0.00 C ATOM 1541 CE1 PHE B 53 63.000 -7.271 -1.620 1.00 0.00 C ATOM 1542 CE2 PHE B 53 63.277 -5.593 0.111 1.00 0.00 C ATOM 1543 CZ PHE B 53 63.536 -6.051 -1.188 1.00 0.00 C ATOM 0 H PHE B 53 63.120 -9.924 1.201 1.00 0.00 H new ATOM 0 HA PHE B 53 62.186 -8.102 3.310 1.00 0.00 H new ATOM 0 HB2 PHE B 53 60.647 -9.234 0.933 1.00 0.00 H new ATOM 0 HB3 PHE B 53 60.271 -7.797 1.862 1.00 0.00 H new ATOM 0 HD1 PHE B 53 61.789 -8.971 -1.089 1.00 0.00 H new ATOM 0 HD2 PHE B 53 62.283 -6.005 1.978 1.00 0.00 H new ATOM 0 HE1 PHE B 53 63.201 -7.625 -2.620 1.00 0.00 H new ATOM 0 HE2 PHE B 53 63.690 -4.653 0.445 1.00 0.00 H new ATOM 0 HZ PHE B 53 64.149 -5.464 -1.856 1.00 0.00 H new ATOM 1553 N CYS B 54 61.801 -10.536 4.438 1.00 0.00 N ATOM 1554 CA CYS B 54 61.159 -11.567 5.241 1.00 0.00 C ATOM 1555 C CYS B 54 61.772 -11.613 6.638 1.00 0.00 C ATOM 1556 O CYS B 54 62.982 -11.457 6.800 1.00 0.00 O ATOM 1557 CB CYS B 54 61.323 -12.923 4.570 1.00 0.00 C ATOM 1558 SG CYS B 54 60.318 -14.150 5.443 1.00 0.00 S ATOM 0 H CYS B 54 62.738 -10.278 4.747 1.00 0.00 H new ATOM 0 HA CYS B 54 60.099 -11.329 5.327 1.00 0.00 H new ATOM 0 HB2 CYS B 54 61.018 -12.864 3.525 1.00 0.00 H new ATOM 0 HB3 CYS B 54 62.371 -13.222 4.580 1.00 0.00 H new ATOM 0 HG CYS B 54 60.791 -14.325 6.641 1.00 0.00 H new ATOM 1563 N ALA B 55 60.932 -11.833 7.642 1.00 0.00 N ATOM 1564 CA ALA B 55 61.401 -11.904 9.018 1.00 0.00 C ATOM 1565 C ALA B 55 62.162 -13.204 9.250 1.00 0.00 C ATOM 1566 O ALA B 55 62.193 -14.074 8.382 1.00 0.00 O ATOM 1567 CB ALA B 55 60.219 -11.823 9.983 1.00 0.00 C ATOM 0 H ALA B 55 59.927 -11.965 7.529 1.00 0.00 H new ATOM 0 HA ALA B 55 62.069 -11.062 9.199 1.00 0.00 H new ATOM 0 HB1 ALA B 55 60.583 -11.877 11.009 1.00 0.00 H new ATOM 0 HB2 ALA B 55 59.692 -10.881 9.834 1.00 0.00 H new ATOM 0 HB3 ALA B 55 59.538 -12.653 9.795 1.00 0.00 H new ATOM 1573 N SER B 56 62.774 -13.318 10.423 1.00 0.00 N ATOM 1574 CA SER B 56 63.537 -14.511 10.774 1.00 0.00 C ATOM 1575 C SER B 56 64.722 -14.667 9.835 1.00 0.00 C ATOM 1576 O SER B 56 65.304 -15.749 9.730 1.00 0.00 O ATOM 1577 CB SER B 56 62.646 -15.753 10.682 1.00 0.00 C ATOM 1578 OG SER B 56 61.417 -15.492 11.345 1.00 0.00 O ATOM 0 H SER B 56 62.757 -12.600 11.147 1.00 0.00 H new ATOM 0 HA SER B 56 63.899 -14.404 11.797 1.00 0.00 H new ATOM 0 HB2 SER B 56 62.464 -16.009 9.638 1.00 0.00 H new ATOM 0 HB3 SER B 56 63.145 -16.609 11.137 1.00 0.00 H new ATOM 0 HG SER B 56 60.841 -16.283 11.289 1.00 0.00 H new ATOM 1584 N CYS B 57 65.073 -13.578 9.152 1.00 0.00 N ATOM 1585 CA CYS B 57 66.190 -13.613 8.222 1.00 0.00 C ATOM 1586 C CYS B 57 67.411 -12.897 8.818 1.00 0.00 C ATOM 1587 O CYS B 57 67.285 -11.785 9.329 1.00 0.00 O ATOM 1588 CB CYS B 57 65.805 -12.957 6.894 1.00 0.00 C ATOM 1589 SG CYS B 57 67.217 -13.022 5.762 1.00 0.00 S ATOM 0 H CYS B 57 64.605 -12.675 9.226 1.00 0.00 H new ATOM 0 HA CYS B 57 66.445 -14.657 8.040 1.00 0.00 H new ATOM 0 HB2 CYS B 57 64.949 -13.471 6.456 1.00 0.00 H new ATOM 0 HB3 CYS B 57 65.505 -11.922 7.060 1.00 0.00 H new ATOM 0 HG CYS B 57 67.313 -14.216 5.256 1.00 0.00 H new ATOM 1595 N PRO B 58 68.580 -13.494 8.770 1.00 0.00 N ATOM 1596 CA PRO B 58 69.822 -12.871 9.321 1.00 0.00 C ATOM 1597 C PRO B 58 69.982 -11.411 8.890 1.00 0.00 C ATOM 1598 O PRO B 58 70.456 -10.575 9.660 1.00 0.00 O ATOM 1599 CB PRO B 58 70.938 -13.727 8.713 1.00 0.00 C ATOM 1600 CG PRO B 58 70.327 -15.060 8.451 1.00 0.00 C ATOM 1601 CD PRO B 58 68.851 -14.827 8.200 1.00 0.00 C ATOM 0 HA PRO B 58 69.820 -12.849 10.411 1.00 0.00 H new ATOM 0 HB2 PRO B 58 71.315 -13.282 7.792 1.00 0.00 H new ATOM 0 HB3 PRO B 58 71.783 -13.811 9.396 1.00 0.00 H new ATOM 0 HG2 PRO B 58 70.795 -15.536 7.589 1.00 0.00 H new ATOM 0 HG3 PRO B 58 70.474 -15.726 9.302 1.00 0.00 H new ATOM 0 HD2 PRO B 58 68.621 -14.856 7.135 1.00 0.00 H new ATOM 0 HD3 PRO B 58 68.242 -15.594 8.679 1.00 0.00 H new ATOM 1609 N THR B 59 69.587 -11.111 7.656 1.00 0.00 N ATOM 1610 CA THR B 59 69.692 -9.749 7.140 1.00 0.00 C ATOM 1611 C THR B 59 68.542 -8.884 7.654 1.00 0.00 C ATOM 1612 O THR B 59 68.625 -7.656 7.649 1.00 0.00 O ATOM 1613 CB THR B 59 69.675 -9.767 5.612 1.00 0.00 C ATOM 1614 OG1 THR B 59 68.449 -10.325 5.160 1.00 0.00 O ATOM 1615 CG2 THR B 59 70.843 -10.611 5.098 1.00 0.00 C ATOM 0 H THR B 59 69.195 -11.786 6.999 1.00 0.00 H new ATOM 0 HA THR B 59 70.633 -9.323 7.489 1.00 0.00 H new ATOM 0 HB THR B 59 69.771 -8.749 5.235 1.00 0.00 H new ATOM 0 HG1 THR B 59 68.477 -11.300 5.258 1.00 0.00 H new ATOM 0 HG21 THR B 59 70.831 -10.624 4.008 1.00 0.00 H new ATOM 0 HG22 THR B 59 71.783 -10.182 5.445 1.00 0.00 H new ATOM 0 HG23 THR B 59 70.749 -11.630 5.474 1.00 0.00 H new ATOM 1623 N PHE B 60 67.473 -9.535 8.094 1.00 0.00 N ATOM 1624 CA PHE B 60 66.379 -8.819 8.759 1.00 0.00 C ATOM 1625 C PHE B 60 66.503 -8.635 10.267 1.00 0.00 C ATOM 1626 O PHE B 60 66.781 -9.587 10.996 1.00 0.00 O ATOM 1627 CB PHE B 60 65.099 -9.597 8.454 1.00 0.00 C ATOM 1628 CG PHE B 60 63.910 -8.857 9.017 1.00 0.00 C ATOM 1629 CD1 PHE B 60 63.274 -7.867 8.258 1.00 0.00 C ATOM 1630 CD2 PHE B 60 63.446 -9.158 10.303 1.00 0.00 C ATOM 1631 CE1 PHE B 60 62.173 -7.182 8.784 1.00 0.00 C ATOM 1632 CE2 PHE B 60 62.345 -8.472 10.830 1.00 0.00 C ATOM 1633 CZ PHE B 60 61.709 -7.485 10.070 1.00 0.00 C ATOM 0 H PHE B 60 67.335 -10.542 8.007 1.00 0.00 H new ATOM 0 HA PHE B 60 66.391 -7.801 8.368 1.00 0.00 H new ATOM 0 HB2 PHE B 60 64.985 -9.722 7.377 1.00 0.00 H new ATOM 0 HB3 PHE B 60 65.157 -10.596 8.887 1.00 0.00 H new ATOM 0 HD1 PHE B 60 63.633 -7.632 7.267 1.00 0.00 H new ATOM 0 HD2 PHE B 60 63.938 -9.920 10.889 1.00 0.00 H new ATOM 0 HE1 PHE B 60 61.681 -6.420 8.198 1.00 0.00 H new ATOM 0 HE2 PHE B 60 61.987 -8.705 11.822 1.00 0.00 H new ATOM 0 HZ PHE B 60 60.859 -6.956 10.475 1.00 0.00 H new ATOM 1643 N LEU B 61 66.291 -7.405 10.726 1.00 0.00 N ATOM 1644 CA LEU B 61 66.376 -7.103 12.151 1.00 0.00 C ATOM 1645 C LEU B 61 64.983 -6.875 12.728 1.00 0.00 C ATOM 1646 O LEU B 61 64.098 -6.355 12.048 1.00 0.00 O ATOM 1647 CB LEU B 61 67.237 -5.857 12.375 1.00 0.00 C ATOM 1648 CG LEU B 61 68.554 -6.003 11.613 1.00 0.00 C ATOM 1649 CD1 LEU B 61 68.471 -5.228 10.297 1.00 0.00 C ATOM 1650 CD2 LEU B 61 69.697 -5.444 12.462 1.00 0.00 C ATOM 0 H LEU B 61 66.060 -6.606 10.136 1.00 0.00 H new ATOM 0 HA LEU B 61 66.835 -7.952 12.658 1.00 0.00 H new ATOM 0 HB2 LEU B 61 66.705 -4.968 12.035 1.00 0.00 H new ATOM 0 HB3 LEU B 61 67.433 -5.724 13.439 1.00 0.00 H new ATOM 0 HG LEU B 61 68.738 -7.057 11.403 1.00 0.00 H new ATOM 0 HD11 LEU B 61 69.410 -5.332 9.754 1.00 0.00 H new ATOM 0 HD12 LEU B 61 67.656 -5.625 9.692 1.00 0.00 H new ATOM 0 HD13 LEU B 61 68.288 -4.174 10.506 1.00 0.00 H new ATOM 0 HD21 LEU B 61 70.637 -5.547 11.920 1.00 0.00 H new ATOM 0 HD22 LEU B 61 69.513 -4.390 12.672 1.00 0.00 H new ATOM 0 HD23 LEU B 61 69.757 -5.995 13.400 1.00 0.00 H new ATOM 1662 N ARG B 62 64.795 -7.268 13.983 1.00 0.00 N ATOM 1663 CA ARG B 62 63.505 -7.102 14.641 1.00 0.00 C ATOM 1664 C ARG B 62 63.125 -5.627 14.707 1.00 0.00 C ATOM 1665 O ARG B 62 63.971 -4.769 14.953 1.00 0.00 O ATOM 1666 CB ARG B 62 63.564 -7.682 16.056 1.00 0.00 C ATOM 1667 CG ARG B 62 63.281 -9.184 16.008 1.00 0.00 C ATOM 1668 CD ARG B 62 64.324 -9.873 15.128 1.00 0.00 C ATOM 1669 NE ARG B 62 64.214 -11.322 15.253 1.00 0.00 N ATOM 1670 CZ ARG B 62 64.906 -12.134 14.462 1.00 0.00 C ATOM 1671 NH1 ARG B 62 65.702 -11.639 13.554 1.00 0.00 N ATOM 1672 NH2 ARG B 62 64.789 -13.428 14.592 1.00 0.00 N ATOM 0 H ARG B 62 65.515 -7.701 14.562 1.00 0.00 H new ATOM 0 HA ARG B 62 62.750 -7.634 14.062 1.00 0.00 H new ATOM 0 HB2 ARG B 62 64.546 -7.501 16.493 1.00 0.00 H new ATOM 0 HB3 ARG B 62 62.834 -7.185 16.694 1.00 0.00 H new ATOM 0 HG2 ARG B 62 63.306 -9.602 17.014 1.00 0.00 H new ATOM 0 HG3 ARG B 62 62.281 -9.364 15.613 1.00 0.00 H new ATOM 0 HD2 ARG B 62 64.183 -9.579 14.088 1.00 0.00 H new ATOM 0 HD3 ARG B 62 65.324 -9.551 15.418 1.00 0.00 H new ATOM 0 HE ARG B 62 63.595 -11.719 15.960 1.00 0.00 H new ATOM 0 HH11 ARG B 62 65.793 -10.628 13.452 1.00 0.00 H new ATOM 0 HH12 ARG B 62 66.233 -12.263 12.947 1.00 0.00 H new ATOM 0 HH21 ARG B 62 64.166 -13.815 15.301 1.00 0.00 H new ATOM 0 HH22 ARG B 62 65.320 -14.052 13.985 1.00 0.00 H new ATOM 1686 N MET B 63 61.847 -5.349 14.483 1.00 0.00 N ATOM 1687 CA MET B 63 61.346 -3.977 14.513 1.00 0.00 C ATOM 1688 C MET B 63 60.096 -3.877 15.382 1.00 0.00 C ATOM 1689 O MET B 63 59.475 -4.886 15.716 1.00 0.00 O ATOM 1690 CB MET B 63 61.026 -3.503 13.095 1.00 0.00 C ATOM 1691 CG MET B 63 62.070 -2.476 12.652 1.00 0.00 C ATOM 1692 SD MET B 63 63.701 -3.259 12.581 1.00 0.00 S ATOM 1693 CE MET B 63 63.586 -3.877 10.885 1.00 0.00 C ATOM 0 H MET B 63 61.138 -6.053 14.279 1.00 0.00 H new ATOM 0 HA MET B 63 62.121 -3.340 14.940 1.00 0.00 H new ATOM 0 HB2 MET B 63 61.020 -4.350 12.410 1.00 0.00 H new ATOM 0 HB3 MET B 63 60.030 -3.061 13.064 1.00 0.00 H new ATOM 0 HG2 MET B 63 61.806 -2.073 11.674 1.00 0.00 H new ATOM 0 HG3 MET B 63 62.088 -1.637 13.348 1.00 0.00 H new ATOM 0 HE1 MET B 63 64.518 -4.373 10.615 1.00 0.00 H new ATOM 0 HE2 MET B 63 62.762 -4.587 10.812 1.00 0.00 H new ATOM 0 HE3 MET B 63 63.408 -3.044 10.205 1.00 0.00 H new ATOM 1703 N ASP B 64 59.734 -2.651 15.745 1.00 0.00 N ATOM 1704 CA ASP B 64 58.561 -2.417 16.574 1.00 0.00 C ATOM 1705 C ASP B 64 57.300 -2.717 15.772 1.00 0.00 C ATOM 1706 O ASP B 64 57.344 -2.815 14.547 1.00 0.00 O ATOM 1707 CB ASP B 64 58.570 -0.985 17.110 1.00 0.00 C ATOM 1708 CG ASP B 64 59.676 -0.822 18.147 1.00 0.00 C ATOM 1709 OD1 ASP B 64 60.217 -1.830 18.570 1.00 0.00 O ATOM 1710 OD2 ASP B 64 59.962 0.308 18.506 1.00 0.00 O ATOM 0 H ASP B 64 60.237 -1.805 15.477 1.00 0.00 H new ATOM 0 HA ASP B 64 58.579 -3.086 17.435 1.00 0.00 H new ATOM 0 HB2 ASP B 64 58.722 -0.282 16.291 1.00 0.00 H new ATOM 0 HB3 ASP B 64 57.604 -0.749 17.557 1.00 0.00 H new ATOM 1715 N ASN B 65 56.176 -2.816 16.466 1.00 0.00 N ATOM 1716 CA ASN B 65 54.899 -3.055 15.802 1.00 0.00 C ATOM 1717 C ASN B 65 54.547 -1.887 14.887 1.00 0.00 C ATOM 1718 O ASN B 65 54.063 -2.083 13.773 1.00 0.00 O ATOM 1719 CB ASN B 65 53.793 -3.240 16.847 1.00 0.00 C ATOM 1720 CG ASN B 65 53.959 -4.579 17.556 1.00 0.00 C ATOM 1721 OD1 ASN B 65 54.615 -5.481 17.037 1.00 0.00 O ATOM 1722 ND2 ASN B 65 53.398 -4.763 18.721 1.00 0.00 N ATOM 0 H ASN B 65 56.120 -2.736 17.481 1.00 0.00 H new ATOM 0 HA ASN B 65 54.985 -3.960 15.201 1.00 0.00 H new ATOM 0 HB2 ASN B 65 53.829 -2.428 17.574 1.00 0.00 H new ATOM 0 HB3 ASN B 65 52.816 -3.193 16.366 1.00 0.00 H new ATOM 0 HD21 ASN B 65 53.503 -5.656 19.202 1.00 0.00 H new ATOM 0 HD22 ASN B 65 52.855 -4.014 19.149 1.00 0.00 H new ATOM 1729 N ASN B 66 54.806 -0.675 15.355 1.00 0.00 N ATOM 1730 CA ASN B 66 54.521 0.514 14.562 1.00 0.00 C ATOM 1731 C ASN B 66 55.441 0.572 13.346 1.00 0.00 C ATOM 1732 O ASN B 66 54.995 0.803 12.221 1.00 0.00 O ATOM 1733 CB ASN B 66 54.710 1.769 15.426 1.00 0.00 C ATOM 1734 CG ASN B 66 55.483 1.422 16.696 1.00 0.00 C ATOM 1735 OD1 ASN B 66 56.706 1.296 16.671 1.00 0.00 O ATOM 1736 ND2 ASN B 66 54.835 1.254 17.816 1.00 0.00 N ATOM 0 H ASN B 66 55.210 -0.488 16.273 1.00 0.00 H new ATOM 0 HA ASN B 66 53.489 0.470 14.215 1.00 0.00 H new ATOM 0 HB2 ASN B 66 55.247 2.531 14.861 1.00 0.00 H new ATOM 0 HB3 ASN B 66 53.739 2.190 15.686 1.00 0.00 H new ATOM 0 HD21 ASN B 66 55.343 1.019 18.669 1.00 0.00 H new ATOM 0 HD22 ASN B 66 53.821 1.358 17.839 1.00 0.00 H new ATOM 1743 N ALA B 67 56.729 0.345 13.579 1.00 0.00 N ATOM 1744 CA ALA B 67 57.705 0.368 12.498 1.00 0.00 C ATOM 1745 C ALA B 67 57.402 -0.737 11.494 1.00 0.00 C ATOM 1746 O ALA B 67 57.502 -0.537 10.283 1.00 0.00 O ATOM 1747 CB ALA B 67 59.118 0.196 13.060 1.00 0.00 C ATOM 0 H ALA B 67 57.119 0.144 14.500 1.00 0.00 H new ATOM 0 HA ALA B 67 57.644 1.331 11.990 1.00 0.00 H new ATOM 0 HB1 ALA B 67 59.839 0.215 12.243 1.00 0.00 H new ATOM 0 HB2 ALA B 67 59.335 1.008 13.754 1.00 0.00 H new ATOM 0 HB3 ALA B 67 59.188 -0.757 13.584 1.00 0.00 H new ATOM 1753 N ALA B 68 57.026 -1.905 12.009 1.00 0.00 N ATOM 1754 CA ALA B 68 56.702 -3.035 11.156 1.00 0.00 C ATOM 1755 C ALA B 68 55.497 -2.706 10.281 1.00 0.00 C ATOM 1756 O ALA B 68 55.440 -3.092 9.113 1.00 0.00 O ATOM 1757 CB ALA B 68 56.406 -4.266 12.010 1.00 0.00 C ATOM 0 H ALA B 68 56.940 -2.089 13.009 1.00 0.00 H new ATOM 0 HA ALA B 68 57.556 -3.246 10.513 1.00 0.00 H new ATOM 0 HB1 ALA B 68 56.164 -5.109 11.362 1.00 0.00 H new ATOM 0 HB2 ALA B 68 57.281 -4.511 12.612 1.00 0.00 H new ATOM 0 HB3 ALA B 68 55.561 -4.059 12.667 1.00 0.00 H new ATOM 1763 N ALA B 69 54.530 -1.994 10.856 1.00 0.00 N ATOM 1764 CA ALA B 69 53.328 -1.626 10.116 1.00 0.00 C ATOM 1765 C ALA B 69 53.687 -0.780 8.898 1.00 0.00 C ATOM 1766 O ALA B 69 53.124 -0.953 7.819 1.00 0.00 O ATOM 1767 CB ALA B 69 52.377 -0.844 11.027 1.00 0.00 C ATOM 0 H ALA B 69 54.555 -1.664 11.821 1.00 0.00 H new ATOM 0 HA ALA B 69 52.836 -2.537 9.775 1.00 0.00 H new ATOM 0 HB1 ALA B 69 51.481 -0.572 10.469 1.00 0.00 H new ATOM 0 HB2 ALA B 69 52.099 -1.463 11.880 1.00 0.00 H new ATOM 0 HB3 ALA B 69 52.873 0.060 11.381 1.00 0.00 H new ATOM 1773 N ILE B 70 54.631 0.134 9.079 1.00 0.00 N ATOM 1774 CA ILE B 70 55.057 1.001 7.983 1.00 0.00 C ATOM 1775 C ILE B 70 55.665 0.171 6.865 1.00 0.00 C ATOM 1776 O ILE B 70 55.361 0.375 5.692 1.00 0.00 O ATOM 1777 CB ILE B 70 56.081 2.025 8.491 1.00 0.00 C ATOM 1778 CG1 ILE B 70 55.446 2.889 9.591 1.00 0.00 C ATOM 1779 CG2 ILE B 70 56.542 2.919 7.340 1.00 0.00 C ATOM 1780 CD1 ILE B 70 54.175 3.572 9.077 1.00 0.00 C ATOM 0 H ILE B 70 55.113 0.295 9.963 1.00 0.00 H new ATOM 0 HA ILE B 70 54.187 1.531 7.596 1.00 0.00 H new ATOM 0 HB ILE B 70 56.942 1.494 8.898 1.00 0.00 H new ATOM 0 HG12 ILE B 70 55.208 2.269 10.455 1.00 0.00 H new ATOM 0 HG13 ILE B 70 56.159 3.642 9.926 1.00 0.00 H new ATOM 0 HG21 ILE B 70 57.268 3.643 7.710 1.00 0.00 H new ATOM 0 HG22 ILE B 70 57.002 2.306 6.565 1.00 0.00 H new ATOM 0 HG23 ILE B 70 55.684 3.447 6.923 1.00 0.00 H new ATOM 0 HD11 ILE B 70 53.741 4.179 9.872 1.00 0.00 H new ATOM 0 HD12 ILE B 70 54.422 4.209 8.228 1.00 0.00 H new ATOM 0 HD13 ILE B 70 53.456 2.815 8.765 1.00 0.00 H new ATOM 1792 N LYS B 71 56.519 -0.770 7.234 1.00 0.00 N ATOM 1793 CA LYS B 71 57.153 -1.630 6.246 1.00 0.00 C ATOM 1794 C LYS B 71 56.100 -2.457 5.518 1.00 0.00 C ATOM 1795 O LYS B 71 56.185 -2.663 4.309 1.00 0.00 O ATOM 1796 CB LYS B 71 58.161 -2.554 6.930 1.00 0.00 C ATOM 1797 CG LYS B 71 59.386 -1.747 7.367 1.00 0.00 C ATOM 1798 CD LYS B 71 60.481 -2.699 7.853 1.00 0.00 C ATOM 1799 CE LYS B 71 61.462 -2.981 6.712 1.00 0.00 C ATOM 1800 NZ LYS B 71 60.740 -3.633 5.583 1.00 0.00 N ATOM 0 H LYS B 71 56.788 -0.957 8.200 1.00 0.00 H new ATOM 0 HA LYS B 71 57.676 -1.008 5.520 1.00 0.00 H new ATOM 0 HB2 LYS B 71 57.702 -3.033 7.795 1.00 0.00 H new ATOM 0 HB3 LYS B 71 58.462 -3.349 6.248 1.00 0.00 H new ATOM 0 HG2 LYS B 71 59.755 -1.147 6.535 1.00 0.00 H new ATOM 0 HG3 LYS B 71 59.113 -1.054 8.163 1.00 0.00 H new ATOM 0 HD2 LYS B 71 61.009 -2.260 8.699 1.00 0.00 H new ATOM 0 HD3 LYS B 71 60.037 -3.631 8.203 1.00 0.00 H new ATOM 0 HE2 LYS B 71 61.921 -2.051 6.375 1.00 0.00 H new ATOM 0 HE3 LYS B 71 62.268 -3.626 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 61.429 -4.036 4.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 60.131 -4.391 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 60.155 -2.927 5.091 1.00 0.00 H new ATOM 1814 N ALA B 72 55.105 -2.926 6.266 1.00 0.00 N ATOM 1815 CA ALA B 72 54.039 -3.725 5.680 1.00 0.00 C ATOM 1816 C ALA B 72 53.289 -2.908 4.637 1.00 0.00 C ATOM 1817 O ALA B 72 52.929 -3.419 3.577 1.00 0.00 O ATOM 1818 CB ALA B 72 53.066 -4.182 6.769 1.00 0.00 C ATOM 0 H ALA B 72 55.017 -2.767 7.270 1.00 0.00 H new ATOM 0 HA ALA B 72 54.479 -4.600 5.203 1.00 0.00 H new ATOM 0 HB1 ALA B 72 52.272 -4.779 6.320 1.00 0.00 H new ATOM 0 HB2 ALA B 72 53.600 -4.783 7.505 1.00 0.00 H new ATOM 0 HB3 ALA B 72 52.632 -3.310 7.258 1.00 0.00 H new ATOM 1824 N LEU B 73 53.052 -1.633 4.943 1.00 0.00 N ATOM 1825 CA LEU B 73 52.339 -0.768 4.009 1.00 0.00 C ATOM 1826 C LEU B 73 53.128 -0.624 2.708 1.00 0.00 C ATOM 1827 O LEU B 73 52.563 -0.682 1.616 1.00 0.00 O ATOM 1828 CB LEU B 73 52.124 0.611 4.640 1.00 0.00 C ATOM 1829 CG LEU B 73 51.359 1.522 3.669 1.00 0.00 C ATOM 1830 CD1 LEU B 73 49.985 0.921 3.371 1.00 0.00 C ATOM 1831 CD2 LEU B 73 51.185 2.905 4.296 1.00 0.00 C ATOM 0 H LEU B 73 53.337 -1.184 5.813 1.00 0.00 H new ATOM 0 HA LEU B 73 51.372 -1.217 3.784 1.00 0.00 H new ATOM 0 HB2 LEU B 73 51.567 0.510 5.572 1.00 0.00 H new ATOM 0 HB3 LEU B 73 53.086 1.059 4.890 1.00 0.00 H new ATOM 0 HG LEU B 73 51.922 1.611 2.740 1.00 0.00 H new ATOM 0 HD11 LEU B 73 49.445 1.571 2.682 1.00 0.00 H new ATOM 0 HD12 LEU B 73 50.109 -0.064 2.920 1.00 0.00 H new ATOM 0 HD13 LEU B 73 49.420 0.827 4.298 1.00 0.00 H new ATOM 0 HD21 LEU B 73 50.642 3.551 3.606 1.00 0.00 H new ATOM 0 HD22 LEU B 73 50.624 2.815 5.226 1.00 0.00 H new ATOM 0 HD23 LEU B 73 52.164 3.337 4.503 1.00 0.00 H new ATOM 1843 N GLU B 74 54.434 -0.429 2.836 1.00 0.00 N ATOM 1844 CA GLU B 74 55.294 -0.273 1.667 1.00 0.00 C ATOM 1845 C GLU B 74 55.310 -1.553 0.842 1.00 0.00 C ATOM 1846 O GLU B 74 55.310 -1.504 -0.387 1.00 0.00 O ATOM 1847 CB GLU B 74 56.716 0.080 2.106 1.00 0.00 C ATOM 1848 CG GLU B 74 56.740 1.502 2.669 1.00 0.00 C ATOM 1849 CD GLU B 74 58.098 1.791 3.299 1.00 0.00 C ATOM 1850 OE1 GLU B 74 58.845 0.848 3.506 1.00 0.00 O ATOM 1851 OE2 GLU B 74 58.371 2.949 3.566 1.00 0.00 O ATOM 0 H GLU B 74 54.920 -0.375 3.731 1.00 0.00 H new ATOM 0 HA GLU B 74 54.898 0.535 1.051 1.00 0.00 H new ATOM 0 HB2 GLU B 74 57.061 -0.627 2.861 1.00 0.00 H new ATOM 0 HB3 GLU B 74 57.399 0.001 1.260 1.00 0.00 H new ATOM 0 HG2 GLU B 74 56.539 2.220 1.874 1.00 0.00 H new ATOM 0 HG3 GLU B 74 55.952 1.621 3.413 1.00 0.00 H new ATOM 1858 N LEU B 75 55.323 -2.697 1.525 1.00 0.00 N ATOM 1859 CA LEU B 75 55.338 -3.989 0.842 1.00 0.00 C ATOM 1860 C LEU B 75 54.097 -4.142 -0.027 1.00 0.00 C ATOM 1861 O LEU B 75 54.162 -4.645 -1.146 1.00 0.00 O ATOM 1862 CB LEU B 75 55.392 -5.114 1.877 1.00 0.00 C ATOM 1863 CG LEU B 75 56.788 -5.154 2.517 1.00 0.00 C ATOM 1864 CD1 LEU B 75 56.727 -5.947 3.825 1.00 0.00 C ATOM 1865 CD2 LEU B 75 57.794 -5.837 1.572 1.00 0.00 C ATOM 0 H LEU B 75 55.323 -2.756 2.543 1.00 0.00 H new ATOM 0 HA LEU B 75 56.219 -4.043 0.203 1.00 0.00 H new ATOM 0 HB2 LEU B 75 54.633 -4.955 2.643 1.00 0.00 H new ATOM 0 HB3 LEU B 75 55.170 -6.070 1.403 1.00 0.00 H new ATOM 0 HG LEU B 75 57.111 -4.131 2.709 1.00 0.00 H new ATOM 0 HD11 LEU B 75 57.717 -5.976 4.280 1.00 0.00 H new ATOM 0 HD12 LEU B 75 56.027 -5.467 4.509 1.00 0.00 H new ATOM 0 HD13 LEU B 75 56.393 -6.964 3.619 1.00 0.00 H new ATOM 0 HD21 LEU B 75 58.778 -5.857 2.041 1.00 0.00 H new ATOM 0 HD22 LEU B 75 57.468 -6.857 1.369 1.00 0.00 H new ATOM 0 HD23 LEU B 75 57.849 -5.281 0.636 1.00 0.00 H new ATOM 1877 N TYR B 76 52.966 -3.694 0.495 1.00 0.00 N ATOM 1878 CA TYR B 76 51.718 -3.761 -0.250 1.00 0.00 C ATOM 1879 C TYR B 76 51.804 -2.897 -1.505 1.00 0.00 C ATOM 1880 O TYR B 76 51.408 -3.315 -2.590 1.00 0.00 O ATOM 1881 CB TYR B 76 50.552 -3.296 0.621 1.00 0.00 C ATOM 1882 CG TYR B 76 49.289 -3.266 -0.205 1.00 0.00 C ATOM 1883 CD1 TYR B 76 48.621 -4.458 -0.512 1.00 0.00 C ATOM 1884 CD2 TYR B 76 48.784 -2.044 -0.663 1.00 0.00 C ATOM 1885 CE1 TYR B 76 47.448 -4.427 -1.276 1.00 0.00 C ATOM 1886 CE2 TYR B 76 47.611 -2.012 -1.428 1.00 0.00 C ATOM 1887 CZ TYR B 76 46.943 -3.204 -1.734 1.00 0.00 C ATOM 1888 OH TYR B 76 45.787 -3.174 -2.487 1.00 0.00 O ATOM 0 H TYR B 76 52.886 -3.283 1.425 1.00 0.00 H new ATOM 0 HA TYR B 76 51.547 -4.797 -0.544 1.00 0.00 H new ATOM 0 HB2 TYR B 76 50.428 -3.968 1.471 1.00 0.00 H new ATOM 0 HB3 TYR B 76 50.759 -2.305 1.026 1.00 0.00 H new ATOM 0 HD1 TYR B 76 49.011 -5.401 -0.159 1.00 0.00 H new ATOM 0 HD2 TYR B 76 49.299 -1.125 -0.426 1.00 0.00 H new ATOM 0 HE1 TYR B 76 46.933 -5.346 -1.512 1.00 0.00 H new ATOM 0 HE2 TYR B 76 47.222 -1.069 -1.782 1.00 0.00 H new ATOM 0 HH TYR B 76 45.574 -2.247 -2.723 1.00 0.00 H new ATOM 1898 N LYS B 77 52.312 -1.676 -1.340 1.00 0.00 N ATOM 1899 CA LYS B 77 52.426 -0.750 -2.463 1.00 0.00 C ATOM 1900 C LYS B 77 53.289 -1.353 -3.570 1.00 0.00 C ATOM 1901 O LYS B 77 52.922 -1.320 -4.744 1.00 0.00 O ATOM 1902 CB LYS B 77 53.060 0.559 -1.986 1.00 0.00 C ATOM 1903 CG LYS B 77 52.990 1.611 -3.099 1.00 0.00 C ATOM 1904 CD LYS B 77 54.130 2.618 -2.946 1.00 0.00 C ATOM 1905 CE LYS B 77 53.970 3.380 -1.631 1.00 0.00 C ATOM 1906 NZ LYS B 77 52.662 4.092 -1.627 1.00 0.00 N ATOM 0 H LYS B 77 52.647 -1.309 -0.449 1.00 0.00 H new ATOM 0 HA LYS B 77 51.428 -0.558 -2.857 1.00 0.00 H new ATOM 0 HB2 LYS B 77 52.542 0.922 -1.098 1.00 0.00 H new ATOM 0 HB3 LYS B 77 54.098 0.387 -1.701 1.00 0.00 H new ATOM 0 HG2 LYS B 77 53.052 1.125 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS B 77 52.031 2.128 -3.061 1.00 0.00 H new ATOM 0 HD2 LYS B 77 55.090 2.101 -2.964 1.00 0.00 H new ATOM 0 HD3 LYS B 77 54.128 3.315 -3.784 1.00 0.00 H new ATOM 0 HE2 LYS B 77 54.023 2.690 -0.789 1.00 0.00 H new ATOM 0 HE3 LYS B 77 54.785 4.093 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 52.825 5.118 -1.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 52.105 3.799 -2.455 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 52.141 3.857 -0.758 1.00 0.00 H new ATOM 1920 N ILE B 78 54.430 -1.909 -3.185 1.00 0.00 N ATOM 1921 CA ILE B 78 55.338 -2.526 -4.149 1.00 0.00 C ATOM 1922 C ILE B 78 54.877 -3.935 -4.492 1.00 0.00 C ATOM 1923 O ILE B 78 55.373 -4.549 -5.435 1.00 0.00 O ATOM 1924 CB ILE B 78 56.761 -2.567 -3.589 1.00 0.00 C ATOM 1925 CG1 ILE B 78 57.685 -3.240 -4.599 1.00 0.00 C ATOM 1926 CG2 ILE B 78 56.770 -3.356 -2.295 1.00 0.00 C ATOM 1927 CD1 ILE B 78 59.137 -2.878 -4.287 1.00 0.00 C ATOM 0 H ILE B 78 54.750 -1.947 -2.217 1.00 0.00 H new ATOM 0 HA ILE B 78 55.331 -1.924 -5.058 1.00 0.00 H new ATOM 0 HB ILE B 78 57.107 -1.551 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE B 78 57.554 -4.321 -4.563 1.00 0.00 H new ATOM 0 HG13 ILE B 78 57.429 -2.921 -5.610 1.00 0.00 H new ATOM 0 HG21 ILE B 78 57.783 -3.386 -1.894 1.00 0.00 H new ATOM 0 HG22 ILE B 78 56.108 -2.878 -1.573 1.00 0.00 H new ATOM 0 HG23 ILE B 78 56.425 -4.372 -2.486 1.00 0.00 H new ATOM 0 HD11 ILE B 78 59.795 -3.360 -5.010 1.00 0.00 H new ATOM 0 HD12 ILE B 78 59.263 -1.797 -4.346 1.00 0.00 H new ATOM 0 HD13 ILE B 78 59.389 -3.219 -3.283 1.00 0.00 H new ATOM 1939 N ASN B 79 53.928 -4.442 -3.716 1.00 0.00 N ATOM 1940 CA ASN B 79 53.408 -5.783 -3.940 1.00 0.00 C ATOM 1941 C ASN B 79 54.542 -6.802 -3.903 1.00 0.00 C ATOM 1942 O ASN B 79 54.549 -7.764 -4.670 1.00 0.00 O ATOM 1943 CB ASN B 79 52.701 -5.853 -5.295 1.00 0.00 C ATOM 1944 CG ASN B 79 51.774 -7.064 -5.337 1.00 0.00 C ATOM 1945 OD1 ASN B 79 51.160 -7.412 -4.328 1.00 0.00 O ATOM 1946 ND2 ASN B 79 51.635 -7.731 -6.451 1.00 0.00 N ATOM 0 H ASN B 79 53.505 -3.948 -2.930 1.00 0.00 H new ATOM 0 HA ASN B 79 52.694 -6.015 -3.149 1.00 0.00 H new ATOM 0 HB2 ASN B 79 52.129 -4.941 -5.464 1.00 0.00 H new ATOM 0 HB3 ASN B 79 53.437 -5.920 -6.096 1.00 0.00 H new ATOM 0 HD21 ASN B 79 51.017 -8.542 -6.486 1.00 0.00 H new ATOM 0 HD22 ASN B 79 52.144 -7.441 -7.286 1.00 0.00 H new ATOM 1953 N ALA B 80 55.500 -6.585 -3.004 1.00 0.00 N ATOM 1954 CA ALA B 80 56.632 -7.491 -2.876 1.00 0.00 C ATOM 1955 C ALA B 80 56.143 -8.918 -2.660 1.00 0.00 C ATOM 1956 O ALA B 80 55.171 -9.153 -1.942 1.00 0.00 O ATOM 1957 CB ALA B 80 57.508 -7.063 -1.696 1.00 0.00 C ATOM 0 H ALA B 80 55.513 -5.795 -2.359 1.00 0.00 H new ATOM 0 HA ALA B 80 57.218 -7.453 -3.794 1.00 0.00 H new ATOM 0 HB1 ALA B 80 58.354 -7.745 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA B 80 57.874 -6.050 -1.863 1.00 0.00 H new ATOM 0 HB3 ALA B 80 56.920 -7.089 -0.778 1.00 0.00 H new ATOM 1963 N LYS B 81 56.820 -9.867 -3.293 1.00 0.00 N ATOM 1964 CA LYS B 81 56.440 -11.267 -3.172 1.00 0.00 C ATOM 1965 C LYS B 81 56.721 -11.782 -1.765 1.00 0.00 C ATOM 1966 O LYS B 81 57.745 -11.460 -1.166 1.00 0.00 O ATOM 1967 CB LYS B 81 57.223 -12.107 -4.177 1.00 0.00 C ATOM 1968 CG LYS B 81 56.852 -11.679 -5.601 1.00 0.00 C ATOM 1969 CD LYS B 81 57.406 -12.689 -6.620 1.00 0.00 C ATOM 1970 CE LYS B 81 58.934 -12.591 -6.687 1.00 0.00 C ATOM 1971 NZ LYS B 81 59.318 -11.192 -7.020 1.00 0.00 N ATOM 0 H LYS B 81 57.628 -9.695 -3.891 1.00 0.00 H new ATOM 0 HA LYS B 81 55.372 -11.349 -3.374 1.00 0.00 H new ATOM 0 HB2 LYS B 81 58.294 -11.982 -4.016 1.00 0.00 H new ATOM 0 HB3 LYS B 81 57.001 -13.165 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS B 81 55.768 -11.611 -5.698 1.00 0.00 H new ATOM 0 HG3 LYS B 81 57.253 -10.687 -5.807 1.00 0.00 H new ATOM 0 HD2 LYS B 81 57.111 -13.700 -6.338 1.00 0.00 H new ATOM 0 HD3 LYS B 81 56.979 -12.495 -7.604 1.00 0.00 H new ATOM 0 HE2 LYS B 81 59.372 -12.884 -5.733 1.00 0.00 H new ATOM 0 HE3 LYS B 81 59.322 -13.277 -7.440 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 60.238 -11.191 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 58.598 -10.773 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 59.386 -10.633 -6.146 1.00 0.00 H new ATOM 1985 N LEU B 82 55.803 -12.591 -1.252 1.00 0.00 N ATOM 1986 CA LEU B 82 55.950 -13.159 0.083 1.00 0.00 C ATOM 1987 C LEU B 82 56.909 -14.340 0.067 1.00 0.00 C ATOM 1988 O LEU B 82 57.045 -15.029 -0.942 1.00 0.00 O ATOM 1989 CB LEU B 82 54.590 -13.610 0.618 1.00 0.00 C ATOM 1990 CG LEU B 82 53.731 -12.380 0.923 1.00 0.00 C ATOM 1991 CD1 LEU B 82 52.256 -12.786 0.972 1.00 0.00 C ATOM 1992 CD2 LEU B 82 54.130 -11.767 2.276 1.00 0.00 C ATOM 0 H LEU B 82 54.950 -12.868 -1.738 1.00 0.00 H new ATOM 0 HA LEU B 82 56.357 -12.387 0.736 1.00 0.00 H new ATOM 0 HB2 LEU B 82 54.090 -14.244 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU B 82 54.722 -14.208 1.520 1.00 0.00 H new ATOM 0 HG LEU B 82 53.889 -11.641 0.137 1.00 0.00 H new ATOM 0 HD11 LEU B 82 51.645 -11.910 1.189 1.00 0.00 H new ATOM 0 HD12 LEU B 82 51.962 -13.204 0.010 1.00 0.00 H new ATOM 0 HD13 LEU B 82 52.110 -13.533 1.752 1.00 0.00 H new ATOM 0 HD21 LEU B 82 53.509 -10.894 2.477 1.00 0.00 H new ATOM 0 HD22 LEU B 82 53.986 -12.504 3.066 1.00 0.00 H new ATOM 0 HD23 LEU B 82 55.178 -11.468 2.245 1.00 0.00 H new