USER MOD reduce.3.24.130724 H: found=0, std=0, add=696, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 44 CYS SG : rot -93:sc= -0.327 USER MOD Set 1.2: B 49 CYS SG : rot -164:sc= 0.0387 USER MOD Set 1.3: B 54 CYS SG : rot -64:sc= 0.57 USER MOD Set 2.1: B 37 TYR OH : rot -107:sc= -1.56! USER MOD Set 2.2: B 65 ASN : amide:sc= -1.65! C(o=-3.2!,f=-9.4!) USER MOD Single : A 329 MET CE :methyl 135:sc= -0.664 (180deg=-3.94!) USER MOD Single : A 330 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.51) USER MOD Single : A 336 GLN : amide:sc= -1.27 X(o=-1.3,f=-1.7!) USER MOD Single : A 337 SER OG : rot 180:sc= 0 USER MOD Single : A 341 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 348 ASN : amide:sc= -0.0474 K(o=-0.047,f=-2.5!) USER MOD Single : A 349 ASN : amide:sc= 0.139 K(o=0.14,f=-5.8!) USER MOD Single : A 354 ASN : amide:sc= -0.188 K(o=-0.19,f=-2!) USER MOD Single : A 356 MET CE :methyl 176:sc= -0.146 (180deg=-0.151) USER MOD Single : A 358 SER OG : rot -32:sc= 0.973 USER MOD Single : B 25 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.195) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 HIS : no HD1:sc= -1.11 K(o=-1.1,f=0.076) USER MOD Single : B 36 TYR OH : rot 165:sc= 1.24 USER MOD Single : B 38 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-0.15) USER MOD Single : B 39 GLN : amide:sc= -0.0875 K(o=-0.088,f=-1.9!) USER MOD Single : B 41 THR OG1 : rot -17:sc= 0.286 USER MOD Single : B 46 ASN : amide:sc= -0.0365 K(o=-0.037,f=-2!) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 56 SER OG : rot 180:sc= 0 USER MOD Single : B 57 CYS SG : rot 120:sc= -2.36 USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 63 MET CE :methyl -175:sc= 0 (180deg=-0.0363) USER MOD Single : B 66 ASN : amide:sc= -0.0479 K(o=-0.048,f=-1.8!) USER MOD Single : B 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 76 TYR OH : rot -15:sc= -3.51! USER MOD Single : B 77 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.187) USER MOD Single : B 79 ASN : amide:sc= -0.254 K(o=-0.25,f=-1.7!) USER MOD Single : B 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 299 N ASP A 327 41.914 2.608 -6.617 1.00 0.00 N ATOM 300 CA ASP A 327 43.234 2.812 -6.028 1.00 0.00 C ATOM 301 C ASP A 327 43.149 2.818 -4.504 1.00 0.00 C ATOM 302 O ASP A 327 42.366 3.567 -3.917 1.00 0.00 O ATOM 303 CB ASP A 327 43.817 4.139 -6.511 1.00 0.00 C ATOM 304 CG ASP A 327 44.178 4.043 -7.990 1.00 0.00 C ATOM 305 OD1 ASP A 327 44.236 2.934 -8.495 1.00 0.00 O ATOM 306 OD2 ASP A 327 44.390 5.080 -8.596 1.00 0.00 O ATOM 0 HA ASP A 327 43.881 1.992 -6.340 1.00 0.00 H new ATOM 0 HB2 ASP A 327 43.095 4.941 -6.356 1.00 0.00 H new ATOM 0 HB3 ASP A 327 44.703 4.390 -5.928 1.00 0.00 H new ATOM 311 N VAL A 328 43.959 1.978 -3.871 1.00 0.00 N ATOM 312 CA VAL A 328 43.972 1.891 -2.415 1.00 0.00 C ATOM 313 C VAL A 328 44.573 3.160 -1.811 1.00 0.00 C ATOM 314 O VAL A 328 44.106 3.660 -0.789 1.00 0.00 O ATOM 315 CB VAL A 328 44.777 0.671 -1.969 1.00 0.00 C ATOM 316 CG1 VAL A 328 44.837 0.628 -0.442 1.00 0.00 C ATOM 317 CG2 VAL A 328 44.106 -0.598 -2.487 1.00 0.00 C ATOM 0 H VAL A 328 44.612 1.350 -4.340 1.00 0.00 H new ATOM 0 HA VAL A 328 42.945 1.788 -2.064 1.00 0.00 H new ATOM 0 HB VAL A 328 45.788 0.738 -2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 328 45.411 -0.242 -0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 328 45.316 1.534 -0.071 1.00 0.00 H new ATOM 0 HG13 VAL A 328 43.826 0.562 -0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 328 44.680 -1.469 -2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 328 43.094 -0.664 -2.087 1.00 0.00 H new ATOM 0 HG23 VAL A 328 44.064 -0.569 -3.576 1.00 0.00 H new ATOM 327 N MET A 329 45.616 3.676 -2.452 1.00 0.00 N ATOM 328 CA MET A 329 46.280 4.884 -1.973 1.00 0.00 C ATOM 329 C MET A 329 45.305 6.053 -1.948 1.00 0.00 C ATOM 330 O MET A 329 45.382 6.919 -1.076 1.00 0.00 O ATOM 331 CB MET A 329 47.475 5.221 -2.871 1.00 0.00 C ATOM 332 CG MET A 329 48.593 4.198 -2.650 1.00 0.00 C ATOM 333 SD MET A 329 49.274 4.396 -0.983 1.00 0.00 S ATOM 334 CE MET A 329 50.302 2.908 -0.978 1.00 0.00 C ATOM 0 H MET A 329 46.019 3.279 -3.301 1.00 0.00 H new ATOM 0 HA MET A 329 46.636 4.703 -0.959 1.00 0.00 H new ATOM 0 HB2 MET A 329 47.168 5.218 -3.917 1.00 0.00 H new ATOM 0 HB3 MET A 329 47.838 6.224 -2.648 1.00 0.00 H new ATOM 0 HG2 MET A 329 48.206 3.187 -2.778 1.00 0.00 H new ATOM 0 HG3 MET A 329 49.378 4.335 -3.394 1.00 0.00 H new ATOM 0 HE1 MET A 329 51.286 3.147 -0.575 1.00 0.00 H new ATOM 0 HE2 MET A 329 49.833 2.144 -0.359 1.00 0.00 H new ATOM 0 HE3 MET A 329 50.408 2.535 -1.997 1.00 0.00 H new ATOM 344 N GLN A 330 44.394 6.076 -2.909 1.00 0.00 N ATOM 345 CA GLN A 330 43.412 7.149 -2.992 1.00 0.00 C ATOM 346 C GLN A 330 42.402 7.040 -1.853 1.00 0.00 C ATOM 347 O GLN A 330 41.499 7.868 -1.737 1.00 0.00 O ATOM 348 CB GLN A 330 42.680 7.085 -4.335 1.00 0.00 C ATOM 349 CG GLN A 330 43.662 7.351 -5.481 1.00 0.00 C ATOM 350 CD GLN A 330 44.243 8.755 -5.361 1.00 0.00 C ATOM 351 OE1 GLN A 330 43.504 9.717 -5.149 1.00 0.00 O ATOM 352 NE2 GLN A 330 45.529 8.932 -5.480 1.00 0.00 N ATOM 0 H GLN A 330 44.313 5.368 -3.639 1.00 0.00 H new ATOM 0 HA GLN A 330 43.935 8.102 -2.909 1.00 0.00 H new ATOM 0 HB2 GLN A 330 42.219 6.105 -4.461 1.00 0.00 H new ATOM 0 HB3 GLN A 330 41.876 7.821 -4.356 1.00 0.00 H new ATOM 0 HG2 GLN A 330 44.465 6.614 -5.460 1.00 0.00 H new ATOM 0 HG3 GLN A 330 43.153 7.241 -6.439 1.00 0.00 H new ATOM 0 HE21 GLN A 330 46.140 8.134 -5.656 1.00 0.00 H new ATOM 0 HE22 GLN A 330 45.925 9.868 -5.398 1.00 0.00 H new ATOM 361 N ASP A 331 42.569 6.024 -1.011 1.00 0.00 N ATOM 362 CA ASP A 331 41.677 5.820 0.124 1.00 0.00 C ATOM 363 C ASP A 331 42.490 5.732 1.415 1.00 0.00 C ATOM 364 O ASP A 331 42.600 4.662 2.026 1.00 0.00 O ATOM 365 CB ASP A 331 40.878 4.535 -0.064 1.00 0.00 C ATOM 366 CG ASP A 331 40.035 4.643 -1.329 1.00 0.00 C ATOM 367 OD1 ASP A 331 39.891 5.747 -1.830 1.00 0.00 O ATOM 368 OD2 ASP A 331 39.547 3.622 -1.780 1.00 0.00 O ATOM 0 H ASP A 331 43.313 5.331 -1.094 1.00 0.00 H new ATOM 0 HA ASP A 331 40.989 6.663 0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 331 41.552 3.682 -0.135 1.00 0.00 H new ATOM 0 HB3 ASP A 331 40.236 4.363 0.800 1.00 0.00 H new ATOM 373 N PRO A 332 43.073 6.834 1.833 1.00 0.00 N ATOM 374 CA PRO A 332 43.905 6.882 3.073 1.00 0.00 C ATOM 375 C PRO A 332 43.091 6.568 4.323 1.00 0.00 C ATOM 376 O PRO A 332 43.617 6.031 5.297 1.00 0.00 O ATOM 377 CB PRO A 332 44.433 8.324 3.107 1.00 0.00 C ATOM 378 CG PRO A 332 43.510 9.108 2.242 1.00 0.00 C ATOM 379 CD PRO A 332 43.011 8.152 1.172 1.00 0.00 C ATOM 0 HA PRO A 332 44.700 6.136 3.060 1.00 0.00 H new ATOM 0 HB2 PRO A 332 44.443 8.714 4.125 1.00 0.00 H new ATOM 0 HB3 PRO A 332 45.457 8.376 2.736 1.00 0.00 H new ATOM 0 HG2 PRO A 332 42.679 9.509 2.823 1.00 0.00 H new ATOM 0 HG3 PRO A 332 44.025 9.958 1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 332 41.996 8.396 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 332 43.638 8.184 0.281 1.00 0.00 H new ATOM 387 N GLU A 333 41.804 6.893 4.284 1.00 0.00 N ATOM 388 CA GLU A 333 40.932 6.630 5.420 1.00 0.00 C ATOM 389 C GLU A 333 40.865 5.132 5.700 1.00 0.00 C ATOM 390 O GLU A 333 40.974 4.699 6.848 1.00 0.00 O ATOM 391 CB GLU A 333 39.527 7.167 5.129 1.00 0.00 C ATOM 392 CG GLU A 333 38.618 6.912 6.333 1.00 0.00 C ATOM 393 CD GLU A 333 37.258 7.562 6.107 1.00 0.00 C ATOM 394 OE1 GLU A 333 37.074 8.158 5.060 1.00 0.00 O ATOM 395 OE2 GLU A 333 36.421 7.455 6.988 1.00 0.00 O ATOM 0 H GLU A 333 41.346 7.334 3.487 1.00 0.00 H new ATOM 0 HA GLU A 333 41.336 7.133 6.298 1.00 0.00 H new ATOM 0 HB2 GLU A 333 39.572 8.235 4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 333 39.118 6.682 4.243 1.00 0.00 H new ATOM 0 HG2 GLU A 333 38.497 5.840 6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 333 39.076 7.314 7.237 1.00 0.00 H new ATOM 402 N PHE A 334 40.694 4.347 4.643 1.00 0.00 N ATOM 403 CA PHE A 334 40.622 2.897 4.782 1.00 0.00 C ATOM 404 C PHE A 334 41.952 2.347 5.282 1.00 0.00 C ATOM 405 O PHE A 334 41.992 1.490 6.163 1.00 0.00 O ATOM 406 CB PHE A 334 40.261 2.255 3.442 1.00 0.00 C ATOM 407 CG PHE A 334 40.064 0.770 3.635 1.00 0.00 C ATOM 408 CD1 PHE A 334 38.902 0.297 4.258 1.00 0.00 C ATOM 409 CD2 PHE A 334 41.036 -0.134 3.188 1.00 0.00 C ATOM 410 CE1 PHE A 334 38.713 -1.079 4.435 1.00 0.00 C ATOM 411 CE2 PHE A 334 40.847 -1.508 3.365 1.00 0.00 C ATOM 412 CZ PHE A 334 39.685 -1.982 3.988 1.00 0.00 C ATOM 0 H PHE A 334 40.603 4.687 3.686 1.00 0.00 H new ATOM 0 HA PHE A 334 39.847 2.656 5.509 1.00 0.00 H new ATOM 0 HB2 PHE A 334 39.352 2.705 3.044 1.00 0.00 H new ATOM 0 HB3 PHE A 334 41.052 2.437 2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 334 38.152 0.994 4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 334 41.932 0.230 2.707 1.00 0.00 H new ATOM 0 HE1 PHE A 334 37.818 -1.444 4.916 1.00 0.00 H new ATOM 0 HE2 PHE A 334 41.597 -2.205 3.021 1.00 0.00 H new ATOM 0 HZ PHE A 334 39.539 -3.044 4.123 1.00 0.00 H new ATOM 422 N LEU A 335 43.042 2.848 4.708 1.00 0.00 N ATOM 423 CA LEU A 335 44.374 2.401 5.100 1.00 0.00 C ATOM 424 C LEU A 335 44.636 2.715 6.567 1.00 0.00 C ATOM 425 O LEU A 335 45.227 1.909 7.288 1.00 0.00 O ATOM 426 CB LEU A 335 45.432 3.088 4.232 1.00 0.00 C ATOM 427 CG LEU A 335 45.366 2.531 2.806 1.00 0.00 C ATOM 428 CD1 LEU A 335 46.255 3.373 1.888 1.00 0.00 C ATOM 429 CD2 LEU A 335 45.845 1.071 2.784 1.00 0.00 C ATOM 0 H LEU A 335 43.030 3.558 3.976 1.00 0.00 H new ATOM 0 HA LEU A 335 44.430 1.322 4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 335 45.265 4.165 4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 335 46.424 2.924 4.652 1.00 0.00 H new ATOM 0 HG LEU A 335 44.334 2.571 2.457 1.00 0.00 H new ATOM 0 HD11 LEU A 335 46.209 2.977 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 335 45.906 4.406 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 335 47.284 3.337 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 335 45.793 0.686 1.765 1.00 0.00 H new ATOM 0 HD22 LEU A 335 46.874 1.020 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 335 45.208 0.469 3.432 1.00 0.00 H new ATOM 441 N GLN A 336 44.192 3.887 7.004 1.00 0.00 N ATOM 442 CA GLN A 336 44.383 4.293 8.390 1.00 0.00 C ATOM 443 C GLN A 336 43.679 3.322 9.330 1.00 0.00 C ATOM 444 O GLN A 336 44.224 2.941 10.366 1.00 0.00 O ATOM 445 CB GLN A 336 43.831 5.705 8.598 1.00 0.00 C ATOM 446 CG GLN A 336 44.098 6.153 10.037 1.00 0.00 C ATOM 447 CD GLN A 336 43.672 7.604 10.219 1.00 0.00 C ATOM 448 OE1 GLN A 336 43.283 8.263 9.255 1.00 0.00 O ATOM 449 NE2 GLN A 336 43.722 8.144 11.406 1.00 0.00 N ATOM 0 H GLN A 336 43.701 4.568 6.424 1.00 0.00 H new ATOM 0 HA GLN A 336 45.450 4.285 8.612 1.00 0.00 H new ATOM 0 HB2 GLN A 336 44.300 6.397 7.898 1.00 0.00 H new ATOM 0 HB3 GLN A 336 42.760 5.722 8.394 1.00 0.00 H new ATOM 0 HG2 GLN A 336 43.552 5.515 10.732 1.00 0.00 H new ATOM 0 HG3 GLN A 336 45.157 6.045 10.270 1.00 0.00 H new ATOM 0 HE21 GLN A 336 44.045 7.595 12.203 1.00 0.00 H new ATOM 0 HE22 GLN A 336 43.438 9.115 11.537 1.00 0.00 H new ATOM 458 N SER A 337 42.469 2.923 8.961 1.00 0.00 N ATOM 459 CA SER A 337 41.701 1.993 9.780 1.00 0.00 C ATOM 460 C SER A 337 42.440 0.666 9.920 1.00 0.00 C ATOM 461 O SER A 337 42.505 0.092 11.006 1.00 0.00 O ATOM 462 CB SER A 337 40.328 1.752 9.150 1.00 0.00 C ATOM 463 OG SER A 337 39.599 0.831 9.950 1.00 0.00 O ATOM 0 H SER A 337 42.001 3.225 8.107 1.00 0.00 H new ATOM 0 HA SER A 337 41.573 2.430 10.770 1.00 0.00 H new ATOM 0 HB2 SER A 337 39.782 2.692 9.069 1.00 0.00 H new ATOM 0 HB3 SER A 337 40.443 1.362 8.139 1.00 0.00 H new ATOM 0 HG SER A 337 38.718 0.676 9.550 1.00 0.00 H new ATOM 469 N VAL A 338 42.991 0.184 8.815 1.00 0.00 N ATOM 470 CA VAL A 338 43.718 -1.080 8.827 1.00 0.00 C ATOM 471 C VAL A 338 44.936 -0.985 9.744 1.00 0.00 C ATOM 472 O VAL A 338 45.208 -1.889 10.541 1.00 0.00 O ATOM 473 CB VAL A 338 44.166 -1.435 7.404 1.00 0.00 C ATOM 474 CG1 VAL A 338 45.086 -2.656 7.445 1.00 0.00 C ATOM 475 CG2 VAL A 338 42.944 -1.734 6.525 1.00 0.00 C ATOM 0 H VAL A 338 42.950 0.644 7.905 1.00 0.00 H new ATOM 0 HA VAL A 338 43.057 -1.861 9.203 1.00 0.00 H new ATOM 0 HB VAL A 338 44.707 -0.589 6.980 1.00 0.00 H new ATOM 0 HG11 VAL A 338 45.403 -2.907 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 338 45.961 -2.432 8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 338 44.550 -3.501 7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 338 43.274 -1.985 5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 338 42.390 -2.574 6.945 1.00 0.00 H new ATOM 0 HG23 VAL A 338 42.299 -0.856 6.488 1.00 0.00 H new ATOM 485 N LEU A 339 45.669 0.113 9.632 1.00 0.00 N ATOM 486 CA LEU A 339 46.854 0.305 10.457 1.00 0.00 C ATOM 487 C LEU A 339 46.473 0.325 11.932 1.00 0.00 C ATOM 488 O LEU A 339 47.155 -0.265 12.766 1.00 0.00 O ATOM 489 CB LEU A 339 47.537 1.620 10.079 1.00 0.00 C ATOM 490 CG LEU A 339 48.162 1.493 8.684 1.00 0.00 C ATOM 491 CD1 LEU A 339 48.673 2.861 8.225 1.00 0.00 C ATOM 492 CD2 LEU A 339 49.327 0.495 8.710 1.00 0.00 C ATOM 0 H LEU A 339 45.468 0.877 8.986 1.00 0.00 H new ATOM 0 HA LEU A 339 47.543 -0.522 10.284 1.00 0.00 H new ATOM 0 HB2 LEU A 339 46.813 2.434 10.091 1.00 0.00 H new ATOM 0 HB3 LEU A 339 48.305 1.866 10.812 1.00 0.00 H new ATOM 0 HG LEU A 339 47.403 1.132 7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 339 49.117 2.770 7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 339 47.842 3.566 8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 339 49.424 3.223 8.927 1.00 0.00 H new ATOM 0 HD21 LEU A 339 49.760 0.416 7.713 1.00 0.00 H new ATOM 0 HD22 LEU A 339 50.088 0.842 9.410 1.00 0.00 H new ATOM 0 HD23 LEU A 339 48.962 -0.482 9.026 1.00 0.00 H new ATOM 504 N GLU A 340 45.372 0.996 12.240 1.00 0.00 N ATOM 505 CA GLU A 340 44.892 1.078 13.614 1.00 0.00 C ATOM 506 C GLU A 340 44.493 -0.305 14.118 1.00 0.00 C ATOM 507 O GLU A 340 44.701 -0.634 15.287 1.00 0.00 O ATOM 508 CB GLU A 340 43.701 2.032 13.707 1.00 0.00 C ATOM 509 CG GLU A 340 43.244 2.141 15.165 1.00 0.00 C ATOM 510 CD GLU A 340 42.115 3.157 15.280 1.00 0.00 C ATOM 511 OE1 GLU A 340 41.733 3.706 14.261 1.00 0.00 O ATOM 512 OE2 GLU A 340 41.652 3.374 16.389 1.00 0.00 O ATOM 0 H GLU A 340 44.795 1.491 11.560 1.00 0.00 H new ATOM 0 HA GLU A 340 45.698 1.462 14.239 1.00 0.00 H new ATOM 0 HB2 GLU A 340 43.979 3.015 13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 340 42.883 1.670 13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 340 42.907 1.168 15.523 1.00 0.00 H new ATOM 0 HG3 GLU A 340 44.081 2.441 15.796 1.00 0.00 H new ATOM 519 N ASN A 341 43.913 -1.104 13.231 1.00 0.00 N ATOM 520 CA ASN A 341 43.479 -2.444 13.594 1.00 0.00 C ATOM 521 C ASN A 341 44.657 -3.261 14.096 1.00 0.00 C ATOM 522 O ASN A 341 44.525 -4.048 15.032 1.00 0.00 O ATOM 523 CB ASN A 341 42.855 -3.142 12.381 1.00 0.00 C ATOM 524 CG ASN A 341 42.389 -4.542 12.763 1.00 0.00 C ATOM 525 OD1 ASN A 341 41.549 -4.700 13.649 1.00 0.00 O ATOM 526 ND2 ASN A 341 42.889 -5.574 12.140 1.00 0.00 N ATOM 0 H ASN A 341 43.734 -0.848 12.260 1.00 0.00 H new ATOM 0 HA ASN A 341 42.735 -2.364 14.387 1.00 0.00 H new ATOM 0 HB2 ASN A 341 42.012 -2.559 12.010 1.00 0.00 H new ATOM 0 HB3 ASN A 341 43.583 -3.201 11.572 1.00 0.00 H new ATOM 0 HD21 ASN A 341 42.584 -6.516 12.387 1.00 0.00 H new ATOM 0 HD22 ASN A 341 43.585 -5.439 11.406 1.00 0.00 H new ATOM 533 N LEU A 342 45.806 -3.082 13.460 1.00 0.00 N ATOM 534 CA LEU A 342 46.987 -3.835 13.854 1.00 0.00 C ATOM 535 C LEU A 342 47.323 -3.597 15.335 1.00 0.00 C ATOM 536 O LEU A 342 47.142 -2.492 15.858 1.00 0.00 O ATOM 537 CB LEU A 342 48.183 -3.425 12.993 1.00 0.00 C ATOM 538 CG LEU A 342 47.944 -3.856 11.546 1.00 0.00 C ATOM 539 CD1 LEU A 342 49.065 -3.309 10.661 1.00 0.00 C ATOM 540 CD2 LEU A 342 47.913 -5.387 11.442 1.00 0.00 C ATOM 0 H LEU A 342 45.945 -2.435 12.684 1.00 0.00 H new ATOM 0 HA LEU A 342 46.774 -4.894 13.708 1.00 0.00 H new ATOM 0 HB2 LEU A 342 48.327 -2.346 13.043 1.00 0.00 H new ATOM 0 HB3 LEU A 342 49.094 -3.886 13.375 1.00 0.00 H new ATOM 0 HG LEU A 342 46.984 -3.461 11.214 1.00 0.00 H new ATOM 0 HD11 LEU A 342 48.896 -3.616 9.629 1.00 0.00 H new ATOM 0 HD12 LEU A 342 49.076 -2.221 10.719 1.00 0.00 H new ATOM 0 HD13 LEU A 342 50.023 -3.700 11.004 1.00 0.00 H new ATOM 0 HD21 LEU A 342 47.742 -5.678 10.406 1.00 0.00 H new ATOM 0 HD22 LEU A 342 48.866 -5.794 11.781 1.00 0.00 H new ATOM 0 HD23 LEU A 342 47.109 -5.778 12.066 1.00 0.00 H new ATOM 552 N PRO A 343 47.806 -4.605 16.023 1.00 0.00 N ATOM 553 CA PRO A 343 48.152 -4.487 17.471 1.00 0.00 C ATOM 554 C PRO A 343 49.373 -3.605 17.706 1.00 0.00 C ATOM 555 O PRO A 343 50.383 -3.724 17.012 1.00 0.00 O ATOM 556 CB PRO A 343 48.433 -5.934 17.889 1.00 0.00 C ATOM 557 CG PRO A 343 48.836 -6.637 16.637 1.00 0.00 C ATOM 558 CD PRO A 343 48.082 -5.957 15.506 1.00 0.00 C ATOM 0 HA PRO A 343 47.355 -4.016 18.046 1.00 0.00 H new ATOM 0 HB2 PRO A 343 49.224 -5.980 18.637 1.00 0.00 H new ATOM 0 HB3 PRO A 343 47.549 -6.394 18.331 1.00 0.00 H new ATOM 0 HG2 PRO A 343 49.913 -6.570 16.482 1.00 0.00 H new ATOM 0 HG3 PRO A 343 48.587 -7.697 16.689 1.00 0.00 H new ATOM 0 HD2 PRO A 343 48.678 -5.922 14.594 1.00 0.00 H new ATOM 0 HD3 PRO A 343 47.161 -6.488 15.265 1.00 0.00 H new ATOM 566 N GLY A 344 49.274 -2.725 18.696 1.00 0.00 N ATOM 567 CA GLY A 344 50.376 -1.834 19.022 1.00 0.00 C ATOM 568 C GLY A 344 50.472 -0.697 18.015 1.00 0.00 C ATOM 569 O GLY A 344 51.426 0.080 18.042 1.00 0.00 O ATOM 0 H GLY A 344 48.447 -2.611 19.282 1.00 0.00 H new ATOM 0 HA2 GLY A 344 50.236 -1.427 20.023 1.00 0.00 H new ATOM 0 HA3 GLY A 344 51.311 -2.395 19.034 1.00 0.00 H new ATOM 573 N VAL A 345 49.486 -0.607 17.123 1.00 0.00 N ATOM 574 CA VAL A 345 49.486 0.440 16.113 1.00 0.00 C ATOM 575 C VAL A 345 48.336 1.403 16.350 1.00 0.00 C ATOM 576 O VAL A 345 47.177 0.992 16.420 1.00 0.00 O ATOM 577 CB VAL A 345 49.346 -0.183 14.727 1.00 0.00 C ATOM 578 CG1 VAL A 345 49.432 0.909 13.658 1.00 0.00 C ATOM 579 CG2 VAL A 345 50.469 -1.199 14.510 1.00 0.00 C ATOM 0 H VAL A 345 48.688 -1.240 17.082 1.00 0.00 H new ATOM 0 HA VAL A 345 50.427 0.987 16.177 1.00 0.00 H new ATOM 0 HB VAL A 345 48.381 -0.684 14.653 1.00 0.00 H new ATOM 0 HG11 VAL A 345 49.332 0.460 12.670 1.00 0.00 H new ATOM 0 HG12 VAL A 345 48.631 1.632 13.811 1.00 0.00 H new ATOM 0 HG13 VAL A 345 50.395 1.414 13.731 1.00 0.00 H new ATOM 0 HG21 VAL A 345 50.370 -1.645 13.520 1.00 0.00 H new ATOM 0 HG22 VAL A 345 51.434 -0.697 14.587 1.00 0.00 H new ATOM 0 HG23 VAL A 345 50.405 -1.980 15.268 1.00 0.00 H new ATOM 589 N ASP A 346 48.663 2.686 16.470 1.00 0.00 N ATOM 590 CA ASP A 346 47.643 3.699 16.694 1.00 0.00 C ATOM 591 C ASP A 346 47.885 4.925 15.810 1.00 0.00 C ATOM 592 O ASP A 346 49.029 5.256 15.500 1.00 0.00 O ATOM 593 CB ASP A 346 47.639 4.118 18.166 1.00 0.00 C ATOM 594 CG ASP A 346 46.960 3.047 19.009 1.00 0.00 C ATOM 595 OD1 ASP A 346 46.309 2.195 18.430 1.00 0.00 O ATOM 596 OD2 ASP A 346 47.099 3.095 20.220 1.00 0.00 O ATOM 0 H ASP A 346 49.617 3.044 16.416 1.00 0.00 H new ATOM 0 HA ASP A 346 46.675 3.271 16.434 1.00 0.00 H new ATOM 0 HB2 ASP A 346 48.661 4.271 18.512 1.00 0.00 H new ATOM 0 HB3 ASP A 346 47.118 5.068 18.281 1.00 0.00 H new ATOM 601 N PRO A 347 46.840 5.609 15.415 1.00 0.00 N ATOM 602 CA PRO A 347 46.953 6.833 14.565 1.00 0.00 C ATOM 603 C PRO A 347 47.656 7.975 15.294 1.00 0.00 C ATOM 604 O PRO A 347 48.125 8.928 14.669 1.00 0.00 O ATOM 605 CB PRO A 347 45.497 7.192 14.247 1.00 0.00 C ATOM 606 CG PRO A 347 44.690 6.559 15.326 1.00 0.00 C ATOM 607 CD PRO A 347 45.433 5.297 15.722 1.00 0.00 C ATOM 0 HA PRO A 347 47.554 6.659 13.672 1.00 0.00 H new ATOM 0 HB2 PRO A 347 45.353 8.272 14.231 1.00 0.00 H new ATOM 0 HB3 PRO A 347 45.205 6.817 13.266 1.00 0.00 H new ATOM 0 HG2 PRO A 347 44.582 7.231 16.177 1.00 0.00 H new ATOM 0 HG3 PRO A 347 43.685 6.326 14.975 1.00 0.00 H new ATOM 0 HD2 PRO A 347 45.295 5.066 16.778 1.00 0.00 H new ATOM 0 HD3 PRO A 347 45.082 4.432 15.158 1.00 0.00 H new ATOM 615 N ASN A 348 47.720 7.875 16.616 1.00 0.00 N ATOM 616 CA ASN A 348 48.363 8.907 17.419 1.00 0.00 C ATOM 617 C ASN A 348 49.881 8.743 17.393 1.00 0.00 C ATOM 618 O ASN A 348 50.617 9.615 17.856 1.00 0.00 O ATOM 619 CB ASN A 348 47.868 8.830 18.865 1.00 0.00 C ATOM 620 CG ASN A 348 46.410 9.268 18.940 1.00 0.00 C ATOM 621 OD1 ASN A 348 45.915 9.944 18.038 1.00 0.00 O ATOM 622 ND2 ASN A 348 45.686 8.923 19.971 1.00 0.00 N ATOM 0 H ASN A 348 47.337 7.096 17.152 1.00 0.00 H new ATOM 0 HA ASN A 348 48.106 9.878 16.996 1.00 0.00 H new ATOM 0 HB2 ASN A 348 47.970 7.811 19.239 1.00 0.00 H new ATOM 0 HB3 ASN A 348 48.481 9.467 19.503 1.00 0.00 H new ATOM 0 HD21 ASN A 348 44.710 9.214 20.029 1.00 0.00 H new ATOM 0 HD22 ASN A 348 46.097 8.363 20.718 1.00 0.00 H new ATOM 629 N ASN A 349 50.346 7.620 16.848 1.00 0.00 N ATOM 630 CA ASN A 349 51.771 7.355 16.767 1.00 0.00 C ATOM 631 C ASN A 349 52.430 8.263 15.736 1.00 0.00 C ATOM 632 O ASN A 349 51.890 8.489 14.653 1.00 0.00 O ATOM 633 CB ASN A 349 52.002 5.895 16.378 1.00 0.00 C ATOM 634 CG ASN A 349 51.548 4.972 17.503 1.00 0.00 C ATOM 635 OD1 ASN A 349 50.701 4.105 17.291 1.00 0.00 O ATOM 636 ND2 ASN A 349 52.064 5.107 18.693 1.00 0.00 N ATOM 0 H ASN A 349 49.755 6.885 16.459 1.00 0.00 H new ATOM 0 HA ASN A 349 52.215 7.552 17.743 1.00 0.00 H new ATOM 0 HB2 ASN A 349 51.454 5.663 15.465 1.00 0.00 H new ATOM 0 HB3 ASN A 349 53.059 5.730 16.167 1.00 0.00 H new ATOM 0 HD21 ASN A 349 51.766 4.493 19.451 1.00 0.00 H new ATOM 0 HD22 ASN A 349 52.766 5.827 18.866 1.00 0.00 H new ATOM 643 N GLU A 350 53.598 8.778 16.086 1.00 0.00 N ATOM 644 CA GLU A 350 54.335 9.660 15.191 1.00 0.00 C ATOM 645 C GLU A 350 54.796 8.902 13.951 1.00 0.00 C ATOM 646 O GLU A 350 54.812 9.449 12.849 1.00 0.00 O ATOM 647 CB GLU A 350 55.550 10.250 15.909 1.00 0.00 C ATOM 648 CG GLU A 350 55.079 11.224 16.990 1.00 0.00 C ATOM 649 CD GLU A 350 56.276 11.757 17.770 1.00 0.00 C ATOM 650 OE1 GLU A 350 57.363 11.239 17.575 1.00 0.00 O ATOM 651 OE2 GLU A 350 56.088 12.676 18.551 1.00 0.00 O ATOM 0 H GLU A 350 54.056 8.602 16.980 1.00 0.00 H new ATOM 0 HA GLU A 350 53.669 10.468 14.886 1.00 0.00 H new ATOM 0 HB2 GLU A 350 56.144 9.453 16.356 1.00 0.00 H new ATOM 0 HB3 GLU A 350 56.193 10.765 15.195 1.00 0.00 H new ATOM 0 HG2 GLU A 350 54.535 12.051 16.534 1.00 0.00 H new ATOM 0 HG3 GLU A 350 54.388 10.722 17.667 1.00 0.00 H new ATOM 658 N ALA A 351 55.184 7.643 14.140 1.00 0.00 N ATOM 659 CA ALA A 351 55.661 6.828 13.026 1.00 0.00 C ATOM 660 C ALA A 351 54.584 6.685 11.957 1.00 0.00 C ATOM 661 O ALA A 351 54.851 6.856 10.769 1.00 0.00 O ATOM 662 CB ALA A 351 56.059 5.441 13.536 1.00 0.00 C ATOM 0 H ALA A 351 55.178 7.169 15.043 1.00 0.00 H new ATOM 0 HA ALA A 351 56.526 7.323 12.584 1.00 0.00 H new ATOM 0 HB1 ALA A 351 56.414 4.835 12.703 1.00 0.00 H new ATOM 0 HB2 ALA A 351 56.852 5.540 14.277 1.00 0.00 H new ATOM 0 HB3 ALA A 351 55.194 4.959 13.992 1.00 0.00 H new ATOM 668 N ILE A 352 53.366 6.393 12.390 1.00 0.00 N ATOM 669 CA ILE A 352 52.254 6.253 11.457 1.00 0.00 C ATOM 670 C ILE A 352 51.962 7.578 10.766 1.00 0.00 C ATOM 671 O ILE A 352 51.737 7.622 9.556 1.00 0.00 O ATOM 672 CB ILE A 352 51.007 5.766 12.197 1.00 0.00 C ATOM 673 CG1 ILE A 352 51.037 4.237 12.301 1.00 0.00 C ATOM 674 CG2 ILE A 352 49.751 6.204 11.441 1.00 0.00 C ATOM 675 CD1 ILE A 352 52.265 3.787 13.098 1.00 0.00 C ATOM 0 H ILE A 352 53.123 6.249 13.370 1.00 0.00 H new ATOM 0 HA ILE A 352 52.531 5.520 10.699 1.00 0.00 H new ATOM 0 HB ILE A 352 50.992 6.198 13.198 1.00 0.00 H new ATOM 0 HG12 ILE A 352 50.128 3.880 12.786 1.00 0.00 H new ATOM 0 HG13 ILE A 352 51.060 3.797 11.304 1.00 0.00 H new ATOM 0 HG21 ILE A 352 48.866 5.854 11.973 1.00 0.00 H new ATOM 0 HG22 ILE A 352 49.728 7.292 11.373 1.00 0.00 H new ATOM 0 HG23 ILE A 352 49.763 5.778 10.438 1.00 0.00 H new ATOM 0 HD11 ILE A 352 52.276 2.699 13.166 1.00 0.00 H new ATOM 0 HD12 ILE A 352 53.170 4.129 12.596 1.00 0.00 H new ATOM 0 HD13 ILE A 352 52.224 4.212 14.101 1.00 0.00 H new ATOM 687 N ARG A 353 51.963 8.656 11.541 1.00 0.00 N ATOM 688 CA ARG A 353 51.690 9.976 10.986 1.00 0.00 C ATOM 689 C ARG A 353 52.763 10.371 9.975 1.00 0.00 C ATOM 690 O ARG A 353 52.462 10.926 8.917 1.00 0.00 O ATOM 691 CB ARG A 353 51.639 11.012 12.110 1.00 0.00 C ATOM 692 CG ARG A 353 50.383 10.788 12.956 1.00 0.00 C ATOM 693 CD ARG A 353 50.346 11.810 14.094 1.00 0.00 C ATOM 694 NE ARG A 353 49.141 11.630 14.895 1.00 0.00 N ATOM 695 CZ ARG A 353 48.891 12.406 15.945 1.00 0.00 C ATOM 696 NH1 ARG A 353 47.803 12.229 16.644 1.00 0.00 N ATOM 697 NH2 ARG A 353 49.734 13.344 16.278 1.00 0.00 N ATOM 0 H ARG A 353 52.148 8.644 12.544 1.00 0.00 H new ATOM 0 HA ARG A 353 50.727 9.942 10.477 1.00 0.00 H new ATOM 0 HB2 ARG A 353 52.529 10.931 12.734 1.00 0.00 H new ATOM 0 HB3 ARG A 353 51.633 12.018 11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 353 49.492 10.886 12.336 1.00 0.00 H new ATOM 0 HG3 ARG A 353 50.380 9.776 13.361 1.00 0.00 H new ATOM 0 HD2 ARG A 353 51.229 11.697 14.723 1.00 0.00 H new ATOM 0 HD3 ARG A 353 50.372 12.820 13.686 1.00 0.00 H new ATOM 0 HE ARG A 353 48.478 10.896 14.645 1.00 0.00 H new ATOM 0 HH11 ARG A 353 47.144 11.495 16.385 1.00 0.00 H new ATOM 0 HH12 ARG A 353 47.612 12.825 17.450 1.00 0.00 H new ATOM 0 HH21 ARG A 353 50.585 13.482 15.733 1.00 0.00 H new ATOM 0 HH22 ARG A 353 49.542 13.939 17.084 1.00 0.00 H new ATOM 711 N ASN A 354 54.015 10.079 10.308 1.00 0.00 N ATOM 712 CA ASN A 354 55.126 10.406 9.421 1.00 0.00 C ATOM 713 C ASN A 354 55.017 9.628 8.115 1.00 0.00 C ATOM 714 O ASN A 354 55.307 10.155 7.042 1.00 0.00 O ATOM 715 CB ASN A 354 56.454 10.078 10.105 1.00 0.00 C ATOM 716 CG ASN A 354 56.725 11.079 11.223 1.00 0.00 C ATOM 717 OD1 ASN A 354 56.169 12.177 11.224 1.00 0.00 O ATOM 718 ND2 ASN A 354 57.549 10.760 12.184 1.00 0.00 N ATOM 0 H ASN A 354 54.285 9.620 11.178 1.00 0.00 H new ATOM 0 HA ASN A 354 55.086 11.472 9.198 1.00 0.00 H new ATOM 0 HB2 ASN A 354 56.424 9.067 10.510 1.00 0.00 H new ATOM 0 HB3 ASN A 354 57.264 10.105 9.377 1.00 0.00 H new ATOM 0 HD21 ASN A 354 57.733 11.421 12.938 1.00 0.00 H new ATOM 0 HD22 ASN A 354 58.008 9.849 12.181 1.00 0.00 H new ATOM 725 N ALA A 355 54.605 8.369 8.215 1.00 0.00 N ATOM 726 CA ALA A 355 54.469 7.529 7.034 1.00 0.00 C ATOM 727 C ALA A 355 53.460 8.122 6.061 1.00 0.00 C ATOM 728 O ALA A 355 53.681 8.134 4.852 1.00 0.00 O ATOM 729 CB ALA A 355 54.011 6.130 7.446 1.00 0.00 C ATOM 0 H ALA A 355 54.362 7.912 9.094 1.00 0.00 H new ATOM 0 HA ALA A 355 55.439 7.472 6.541 1.00 0.00 H new ATOM 0 HB1 ALA A 355 53.910 5.504 6.559 1.00 0.00 H new ATOM 0 HB2 ALA A 355 54.747 5.690 8.119 1.00 0.00 H new ATOM 0 HB3 ALA A 355 53.049 6.197 7.954 1.00 0.00 H new ATOM 735 N MET A 356 52.348 8.613 6.595 1.00 0.00 N ATOM 736 CA MET A 356 51.312 9.199 5.758 1.00 0.00 C ATOM 737 C MET A 356 51.832 10.455 5.066 1.00 0.00 C ATOM 738 O MET A 356 51.526 10.702 3.900 1.00 0.00 O ATOM 739 CB MET A 356 50.098 9.558 6.617 1.00 0.00 C ATOM 740 CG MET A 356 49.462 8.288 7.197 1.00 0.00 C ATOM 741 SD MET A 356 48.831 7.233 5.868 1.00 0.00 S ATOM 742 CE MET A 356 50.106 5.947 5.960 1.00 0.00 C ATOM 0 H MET A 356 52.143 8.617 7.594 1.00 0.00 H new ATOM 0 HA MET A 356 51.024 8.471 4.999 1.00 0.00 H new ATOM 0 HB2 MET A 356 50.400 10.224 7.426 1.00 0.00 H new ATOM 0 HB3 MET A 356 49.366 10.098 6.017 1.00 0.00 H new ATOM 0 HG2 MET A 356 50.199 7.741 7.785 1.00 0.00 H new ATOM 0 HG3 MET A 356 48.650 8.557 7.873 1.00 0.00 H new ATOM 0 HE1 MET A 356 49.866 5.146 5.260 1.00 0.00 H new ATOM 0 HE2 MET A 356 51.075 6.376 5.703 1.00 0.00 H new ATOM 0 HE3 MET A 356 50.144 5.545 6.972 1.00 0.00 H new ATOM 752 N GLY A 357 52.617 11.243 5.791 1.00 0.00 N ATOM 753 CA GLY A 357 53.171 12.470 5.229 1.00 0.00 C ATOM 754 C GLY A 357 54.090 12.170 4.050 1.00 0.00 C ATOM 755 O GLY A 357 54.024 12.833 3.016 1.00 0.00 O ATOM 0 H GLY A 357 52.882 11.058 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 357 52.361 13.123 4.905 1.00 0.00 H new ATOM 0 HA3 GLY A 357 53.725 13.008 5.998 1.00 0.00 H new ATOM 759 N SER A 358 54.944 11.165 4.214 1.00 0.00 N ATOM 760 CA SER A 358 55.870 10.783 3.155 1.00 0.00 C ATOM 761 C SER A 358 55.120 10.171 1.982 1.00 0.00 C ATOM 762 O SER A 358 55.485 10.375 0.825 1.00 0.00 O ATOM 763 CB SER A 358 56.890 9.776 3.691 1.00 0.00 C ATOM 764 OG SER A 358 56.218 8.577 4.057 1.00 0.00 O ATOM 0 H SER A 358 55.014 10.604 5.063 1.00 0.00 H new ATOM 0 HA SER A 358 56.388 11.679 2.812 1.00 0.00 H new ATOM 0 HB2 SER A 358 57.645 9.567 2.933 1.00 0.00 H new ATOM 0 HB3 SER A 358 57.411 10.192 4.553 1.00 0.00 H new ATOM 0 HG SER A 358 55.315 8.791 4.372 1.00 0.00 H new ATOM 770 N LEU A 359 54.075 9.414 2.285 1.00 0.00 N ATOM 771 CA LEU A 359 53.299 8.764 1.240 1.00 0.00 C ATOM 772 C LEU A 359 52.737 9.801 0.275 1.00 0.00 C ATOM 773 O LEU A 359 52.800 9.629 -0.942 1.00 0.00 O ATOM 774 CB LEU A 359 52.149 7.961 1.866 1.00 0.00 C ATOM 775 CG LEU A 359 51.342 7.249 0.769 1.00 0.00 C ATOM 776 CD1 LEU A 359 52.249 6.272 0.018 1.00 0.00 C ATOM 777 CD2 LEU A 359 50.183 6.475 1.406 1.00 0.00 C ATOM 0 H LEU A 359 53.748 9.236 3.235 1.00 0.00 H new ATOM 0 HA LEU A 359 53.953 8.088 0.689 1.00 0.00 H new ATOM 0 HB2 LEU A 359 52.547 7.229 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 359 51.498 8.626 2.433 1.00 0.00 H new ATOM 0 HG LEU A 359 50.948 7.990 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 359 51.676 5.768 -0.760 1.00 0.00 H new ATOM 0 HD12 LEU A 359 53.075 6.819 -0.437 1.00 0.00 H new ATOM 0 HD13 LEU A 359 52.644 5.533 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 359 49.611 5.970 0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 359 50.578 5.736 2.103 1.00 0.00 H new ATOM 0 HD23 LEU A 359 49.534 7.168 1.942 1.00 0.00 H new ATOM 789 N ALA A 360 52.190 10.876 0.825 1.00 0.00 N ATOM 790 CA ALA A 360 51.624 11.934 -0.001 1.00 0.00 C ATOM 791 C ALA A 360 52.683 12.985 -0.312 1.00 0.00 C ATOM 792 O ALA A 360 52.454 13.894 -1.108 1.00 0.00 O ATOM 793 CB ALA A 360 50.447 12.592 0.723 1.00 0.00 C ATOM 0 H ALA A 360 52.126 11.038 1.830 1.00 0.00 H new ATOM 0 HA ALA A 360 51.273 11.495 -0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 360 50.031 13.382 0.098 1.00 0.00 H new ATOM 0 HB2 ALA A 360 49.679 11.845 0.923 1.00 0.00 H new ATOM 0 HB3 ALA A 360 50.792 13.019 1.665 1.00 0.00 H new ATOM 1099 N LYS B 25 37.553 -5.317 -3.022 1.00 0.00 N ATOM 1100 CA LYS B 25 38.969 -4.985 -3.128 1.00 0.00 C ATOM 1101 C LYS B 25 39.481 -4.433 -1.802 1.00 0.00 C ATOM 1102 O LYS B 25 40.603 -4.719 -1.388 1.00 0.00 O ATOM 1103 CB LYS B 25 39.181 -3.947 -4.228 1.00 0.00 C ATOM 1104 CG LYS B 25 38.843 -4.568 -5.582 1.00 0.00 C ATOM 1105 CD LYS B 25 39.059 -3.535 -6.685 1.00 0.00 C ATOM 1106 CE LYS B 25 38.188 -3.892 -7.884 1.00 0.00 C ATOM 1107 NZ LYS B 25 38.508 -5.268 -8.356 1.00 0.00 N ATOM 0 HA LYS B 25 39.522 -5.891 -3.375 1.00 0.00 H new ATOM 0 HB2 LYS B 25 38.551 -3.076 -4.048 1.00 0.00 H new ATOM 0 HB3 LYS B 25 40.214 -3.600 -4.222 1.00 0.00 H new ATOM 0 HG2 LYS B 25 39.470 -5.442 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS B 25 37.809 -4.911 -5.588 1.00 0.00 H new ATOM 0 HD2 LYS B 25 38.807 -2.539 -6.321 1.00 0.00 H new ATOM 0 HD3 LYS B 25 40.109 -3.512 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS B 25 37.135 -3.829 -7.610 1.00 0.00 H new ATOM 0 HE3 LYS B 25 38.352 -3.175 -8.689 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 38.168 -5.388 -9.331 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 39.537 -5.414 -8.328 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 38.043 -5.964 -7.739 1.00 0.00 H new ATOM 1121 N ARG B 26 38.650 -3.633 -1.143 1.00 0.00 N ATOM 1122 CA ARG B 26 39.039 -3.042 0.139 1.00 0.00 C ATOM 1123 C ARG B 26 39.343 -4.134 1.162 1.00 0.00 C ATOM 1124 O ARG B 26 40.333 -4.057 1.892 1.00 0.00 O ATOM 1125 CB ARG B 26 37.903 -2.159 0.670 1.00 0.00 C ATOM 1126 CG ARG B 26 37.789 -0.901 -0.189 1.00 0.00 C ATOM 1127 CD ARG B 26 36.552 -0.108 0.227 1.00 0.00 C ATOM 1128 NE ARG B 26 36.458 1.124 -0.550 1.00 0.00 N ATOM 1129 CZ ARG B 26 35.973 1.120 -1.788 1.00 0.00 C ATOM 1130 NH1 ARG B 26 35.570 0.003 -2.326 1.00 0.00 N ATOM 1131 NH2 ARG B 26 35.898 2.235 -2.464 1.00 0.00 N ATOM 0 H ARG B 26 37.716 -3.380 -1.466 1.00 0.00 H new ATOM 0 HA ARG B 26 39.934 -2.440 -0.017 1.00 0.00 H new ATOM 0 HB2 ARG B 26 36.962 -2.710 0.653 1.00 0.00 H new ATOM 0 HB3 ARG B 26 38.095 -1.887 1.708 1.00 0.00 H new ATOM 0 HG2 ARG B 26 38.683 -0.287 -0.074 1.00 0.00 H new ATOM 0 HG3 ARG B 26 37.722 -1.172 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG B 26 35.657 -0.711 0.076 1.00 0.00 H new ATOM 0 HD3 ARG B 26 36.602 0.127 1.290 1.00 0.00 H new ATOM 0 HE ARG B 26 36.770 2.003 -0.136 1.00 0.00 H new ATOM 0 HH11 ARG B 26 35.627 -0.867 -1.797 1.00 0.00 H new ATOM 0 HH12 ARG B 26 35.198 -0.001 -3.276 1.00 0.00 H new ATOM 0 HH21 ARG B 26 36.212 3.109 -2.042 1.00 0.00 H new ATOM 0 HH22 ARG B 26 35.526 2.232 -3.414 1.00 0.00 H new ATOM 1145 N ALA B 27 38.496 -5.155 1.203 1.00 0.00 N ATOM 1146 CA ALA B 27 38.699 -6.262 2.135 1.00 0.00 C ATOM 1147 C ALA B 27 39.993 -7.005 1.810 1.00 0.00 C ATOM 1148 O ALA B 27 40.755 -7.372 2.705 1.00 0.00 O ATOM 1149 CB ALA B 27 37.518 -7.231 2.062 1.00 0.00 C ATOM 0 H ALA B 27 37.671 -5.242 0.610 1.00 0.00 H new ATOM 0 HA ALA B 27 38.771 -5.855 3.144 1.00 0.00 H new ATOM 0 HB1 ALA B 27 37.678 -8.053 2.760 1.00 0.00 H new ATOM 0 HB2 ALA B 27 36.600 -6.706 2.324 1.00 0.00 H new ATOM 0 HB3 ALA B 27 37.434 -7.626 1.050 1.00 0.00 H new ATOM 1155 N ALA B 28 40.235 -7.222 0.520 1.00 0.00 N ATOM 1156 CA ALA B 28 41.439 -7.919 0.083 1.00 0.00 C ATOM 1157 C ALA B 28 42.685 -7.128 0.468 1.00 0.00 C ATOM 1158 O ALA B 28 43.688 -7.699 0.896 1.00 0.00 O ATOM 1159 CB ALA B 28 41.406 -8.126 -1.433 1.00 0.00 C ATOM 0 H ALA B 28 39.617 -6.927 -0.236 1.00 0.00 H new ATOM 0 HA ALA B 28 41.473 -8.890 0.577 1.00 0.00 H new ATOM 0 HB1 ALA B 28 42.310 -8.647 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA B 28 40.532 -8.720 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA B 28 41.353 -7.158 -1.931 1.00 0.00 H new ATOM 1165 N ALA B 29 42.611 -5.809 0.311 1.00 0.00 N ATOM 1166 CA ALA B 29 43.738 -4.946 0.643 1.00 0.00 C ATOM 1167 C ALA B 29 44.079 -5.066 2.125 1.00 0.00 C ATOM 1168 O ALA B 29 45.249 -5.128 2.499 1.00 0.00 O ATOM 1169 CB ALA B 29 43.397 -3.488 0.307 1.00 0.00 C ATOM 0 H ALA B 29 41.789 -5.319 -0.041 1.00 0.00 H new ATOM 0 HA ALA B 29 44.601 -5.259 0.056 1.00 0.00 H new ATOM 0 HB1 ALA B 29 44.244 -2.849 0.558 1.00 0.00 H new ATOM 0 HB2 ALA B 29 43.180 -3.401 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA B 29 42.525 -3.177 0.882 1.00 0.00 H new ATOM 1175 N LYS B 30 43.046 -5.105 2.960 1.00 0.00 N ATOM 1176 CA LYS B 30 43.245 -5.226 4.400 1.00 0.00 C ATOM 1177 C LYS B 30 43.921 -6.547 4.741 1.00 0.00 C ATOM 1178 O LYS B 30 44.834 -6.594 5.565 1.00 0.00 O ATOM 1179 CB LYS B 30 41.903 -5.130 5.129 1.00 0.00 C ATOM 1180 CG LYS B 30 42.126 -5.233 6.641 1.00 0.00 C ATOM 1181 CD LYS B 30 40.793 -5.054 7.367 1.00 0.00 C ATOM 1182 CE LYS B 30 41.018 -5.156 8.876 1.00 0.00 C ATOM 1183 NZ LYS B 30 39.724 -4.960 9.586 1.00 0.00 N ATOM 0 H LYS B 30 42.070 -5.055 2.668 1.00 0.00 H new ATOM 0 HA LYS B 30 43.889 -4.409 4.725 1.00 0.00 H new ATOM 0 HB2 LYS B 30 41.414 -4.186 4.888 1.00 0.00 H new ATOM 0 HB3 LYS B 30 41.239 -5.927 4.795 1.00 0.00 H new ATOM 0 HG2 LYS B 30 42.561 -6.201 6.890 1.00 0.00 H new ATOM 0 HG3 LYS B 30 42.835 -4.472 6.967 1.00 0.00 H new ATOM 0 HD2 LYS B 30 40.358 -4.086 7.118 1.00 0.00 H new ATOM 0 HD3 LYS B 30 40.084 -5.815 7.042 1.00 0.00 H new ATOM 0 HE2 LYS B 30 41.438 -6.130 9.127 1.00 0.00 H new ATOM 0 HE3 LYS B 30 41.739 -4.405 9.198 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 39.877 -5.029 10.612 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 39.340 -4.021 9.356 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 39.049 -5.692 9.286 1.00 0.00 H new ATOM 1197 N HIS B 31 43.461 -7.620 4.109 1.00 0.00 N ATOM 1198 CA HIS B 31 44.025 -8.937 4.366 1.00 0.00 C ATOM 1199 C HIS B 31 45.502 -8.973 3.995 1.00 0.00 C ATOM 1200 O HIS B 31 46.317 -9.530 4.727 1.00 0.00 O ATOM 1201 CB HIS B 31 43.272 -9.992 3.547 1.00 0.00 C ATOM 1202 CG HIS B 31 41.940 -10.274 4.188 1.00 0.00 C ATOM 1203 ND1 HIS B 31 41.831 -10.953 5.391 1.00 0.00 N ATOM 1204 CD2 HIS B 31 40.655 -9.980 3.805 1.00 0.00 C ATOM 1205 CE1 HIS B 31 40.520 -11.043 5.688 1.00 0.00 C ATOM 1206 NE2 HIS B 31 39.760 -10.467 4.754 1.00 0.00 N ATOM 0 H HIS B 31 42.707 -7.604 3.422 1.00 0.00 H new ATOM 0 HA HIS B 31 43.924 -9.152 5.430 1.00 0.00 H new ATOM 0 HB2 HIS B 31 43.128 -9.639 2.526 1.00 0.00 H new ATOM 0 HB3 HIS B 31 43.859 -10.908 3.488 1.00 0.00 H new ATOM 0 HD2 HIS B 31 40.380 -9.451 2.904 1.00 0.00 H new ATOM 0 HE1 HIS B 31 40.131 -11.523 6.574 1.00 0.00 H new ATOM 0 HE2 HIS B 31 38.742 -10.398 4.739 1.00 0.00 H new ATOM 1215 N LEU B 32 45.846 -8.377 2.861 1.00 0.00 N ATOM 1216 CA LEU B 32 47.231 -8.358 2.417 1.00 0.00 C ATOM 1217 C LEU B 32 48.106 -7.611 3.415 1.00 0.00 C ATOM 1218 O LEU B 32 49.177 -8.084 3.787 1.00 0.00 O ATOM 1219 CB LEU B 32 47.321 -7.675 1.048 1.00 0.00 C ATOM 1220 CG LEU B 32 46.680 -8.571 -0.019 1.00 0.00 C ATOM 1221 CD1 LEU B 32 46.597 -7.810 -1.344 1.00 0.00 C ATOM 1222 CD2 LEU B 32 47.514 -9.843 -0.214 1.00 0.00 C ATOM 0 H LEU B 32 45.191 -7.905 2.238 1.00 0.00 H new ATOM 0 HA LEU B 32 47.586 -9.386 2.342 1.00 0.00 H new ATOM 0 HB2 LEU B 32 46.815 -6.710 1.078 1.00 0.00 H new ATOM 0 HB3 LEU B 32 48.363 -7.481 0.795 1.00 0.00 H new ATOM 0 HG LEU B 32 45.678 -8.849 0.309 1.00 0.00 H new ATOM 0 HD11 LEU B 32 46.141 -8.447 -2.102 1.00 0.00 H new ATOM 0 HD12 LEU B 32 45.991 -6.914 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU B 32 47.600 -7.526 -1.664 1.00 0.00 H new ATOM 0 HD21 LEU B 32 47.048 -10.470 -0.974 1.00 0.00 H new ATOM 0 HD22 LEU B 32 48.520 -9.573 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU B 32 47.567 -10.391 0.727 1.00 0.00 H new ATOM 1234 N ILE B 33 47.634 -6.451 3.855 1.00 0.00 N ATOM 1235 CA ILE B 33 48.384 -5.652 4.816 1.00 0.00 C ATOM 1236 C ILE B 33 48.550 -6.414 6.124 1.00 0.00 C ATOM 1237 O ILE B 33 49.632 -6.433 6.709 1.00 0.00 O ATOM 1238 CB ILE B 33 47.664 -4.329 5.072 1.00 0.00 C ATOM 1239 CG1 ILE B 33 47.740 -3.457 3.814 1.00 0.00 C ATOM 1240 CG2 ILE B 33 48.334 -3.601 6.238 1.00 0.00 C ATOM 1241 CD1 ILE B 33 46.787 -2.269 3.959 1.00 0.00 C ATOM 0 H ILE B 33 46.744 -6.045 3.565 1.00 0.00 H new ATOM 0 HA ILE B 33 49.371 -5.446 4.403 1.00 0.00 H new ATOM 0 HB ILE B 33 46.620 -4.524 5.318 1.00 0.00 H new ATOM 0 HG12 ILE B 33 48.760 -3.103 3.665 1.00 0.00 H new ATOM 0 HG13 ILE B 33 47.475 -4.044 2.935 1.00 0.00 H new ATOM 0 HG21 ILE B 33 47.821 -2.657 6.421 1.00 0.00 H new ATOM 0 HG22 ILE B 33 48.282 -4.222 7.133 1.00 0.00 H new ATOM 0 HG23 ILE B 33 49.378 -3.405 5.993 1.00 0.00 H new ATOM 0 HD11 ILE B 33 46.841 -1.648 3.065 1.00 0.00 H new ATOM 0 HD12 ILE B 33 45.768 -2.634 4.087 1.00 0.00 H new ATOM 0 HD13 ILE B 33 47.073 -1.677 4.829 1.00 0.00 H new ATOM 1253 N GLU B 34 47.470 -7.040 6.575 1.00 0.00 N ATOM 1254 CA GLU B 34 47.503 -7.802 7.815 1.00 0.00 C ATOM 1255 C GLU B 34 48.511 -8.940 7.713 1.00 0.00 C ATOM 1256 O GLU B 34 49.274 -9.188 8.646 1.00 0.00 O ATOM 1257 CB GLU B 34 46.114 -8.366 8.120 1.00 0.00 C ATOM 1258 CG GLU B 34 46.154 -9.154 9.431 1.00 0.00 C ATOM 1259 CD GLU B 34 44.749 -9.586 9.829 1.00 0.00 C ATOM 1260 OE1 GLU B 34 43.828 -9.298 9.084 1.00 0.00 O ATOM 1261 OE2 GLU B 34 44.614 -10.197 10.876 1.00 0.00 O ATOM 0 H GLU B 34 46.566 -7.035 6.103 1.00 0.00 H new ATOM 0 HA GLU B 34 47.805 -7.136 8.624 1.00 0.00 H new ATOM 0 HB2 GLU B 34 45.390 -7.555 8.194 1.00 0.00 H new ATOM 0 HB3 GLU B 34 45.787 -9.012 7.306 1.00 0.00 H new ATOM 0 HG2 GLU B 34 46.793 -10.030 9.318 1.00 0.00 H new ATOM 0 HG3 GLU B 34 46.591 -8.541 10.219 1.00 0.00 H new ATOM 1268 N ARG B 35 48.508 -9.629 6.576 1.00 0.00 N ATOM 1269 CA ARG B 35 49.434 -10.739 6.374 1.00 0.00 C ATOM 1270 C ARG B 35 50.880 -10.253 6.392 1.00 0.00 C ATOM 1271 O ARG B 35 51.751 -10.891 6.981 1.00 0.00 O ATOM 1272 CB ARG B 35 49.144 -11.417 5.037 1.00 0.00 C ATOM 1273 CG ARG B 35 47.836 -12.205 5.135 1.00 0.00 C ATOM 1274 CD ARG B 35 47.426 -12.686 3.742 1.00 0.00 C ATOM 1275 NE ARG B 35 46.247 -13.542 3.830 1.00 0.00 N ATOM 1276 CZ ARG B 35 45.612 -13.951 2.739 1.00 0.00 C ATOM 1277 NH1 ARG B 35 46.038 -13.589 1.560 1.00 0.00 N ATOM 1278 NH2 ARG B 35 44.561 -14.718 2.845 1.00 0.00 N ATOM 0 H ARG B 35 47.885 -9.443 5.791 1.00 0.00 H new ATOM 0 HA ARG B 35 49.296 -11.451 7.188 1.00 0.00 H new ATOM 0 HB2 ARG B 35 49.072 -10.670 4.247 1.00 0.00 H new ATOM 0 HB3 ARG B 35 49.964 -12.084 4.771 1.00 0.00 H new ATOM 0 HG2 ARG B 35 47.961 -13.057 5.803 1.00 0.00 H new ATOM 0 HG3 ARG B 35 47.052 -11.578 5.561 1.00 0.00 H new ATOM 0 HD2 ARG B 35 47.215 -11.830 3.101 1.00 0.00 H new ATOM 0 HD3 ARG B 35 48.248 -13.234 3.282 1.00 0.00 H new ATOM 0 HE ARG B 35 45.905 -13.831 4.747 1.00 0.00 H new ATOM 0 HH11 ARG B 35 46.860 -12.991 1.476 1.00 0.00 H new ATOM 0 HH12 ARG B 35 45.549 -13.904 0.722 1.00 0.00 H new ATOM 0 HH21 ARG B 35 44.228 -15.003 3.766 1.00 0.00 H new ATOM 0 HH22 ARG B 35 44.073 -15.033 2.007 1.00 0.00 H new ATOM 1292 N TYR B 36 51.127 -9.119 5.745 1.00 0.00 N ATOM 1293 CA TYR B 36 52.473 -8.562 5.695 1.00 0.00 C ATOM 1294 C TYR B 36 52.951 -8.172 7.091 1.00 0.00 C ATOM 1295 O TYR B 36 54.104 -8.399 7.449 1.00 0.00 O ATOM 1296 CB TYR B 36 52.496 -7.330 4.786 1.00 0.00 C ATOM 1297 CG TYR B 36 52.479 -7.762 3.340 1.00 0.00 C ATOM 1298 CD1 TYR B 36 51.478 -7.297 2.479 1.00 0.00 C ATOM 1299 CD2 TYR B 36 53.464 -8.633 2.860 1.00 0.00 C ATOM 1300 CE1 TYR B 36 51.461 -7.701 1.140 1.00 0.00 C ATOM 1301 CE2 TYR B 36 53.449 -9.036 1.519 1.00 0.00 C ATOM 1302 CZ TYR B 36 52.446 -8.570 0.659 1.00 0.00 C ATOM 1303 OH TYR B 36 52.431 -8.969 -0.662 1.00 0.00 O ATOM 0 H TYR B 36 50.420 -8.572 5.253 1.00 0.00 H new ATOM 0 HA TYR B 36 53.142 -9.324 5.296 1.00 0.00 H new ATOM 0 HB2 TYR B 36 51.635 -6.696 4.996 1.00 0.00 H new ATOM 0 HB3 TYR B 36 53.387 -6.735 4.987 1.00 0.00 H new ATOM 0 HD1 TYR B 36 50.718 -6.625 2.849 1.00 0.00 H new ATOM 0 HD2 TYR B 36 54.236 -8.994 3.524 1.00 0.00 H new ATOM 0 HE1 TYR B 36 50.687 -7.342 0.477 1.00 0.00 H new ATOM 0 HE2 TYR B 36 54.210 -9.706 1.148 1.00 0.00 H new ATOM 0 HH TYR B 36 53.296 -9.367 -0.893 1.00 0.00 H new ATOM 1313 N TYR B 37 52.056 -7.582 7.871 1.00 0.00 N ATOM 1314 CA TYR B 37 52.395 -7.158 9.224 1.00 0.00 C ATOM 1315 C TYR B 37 52.822 -8.352 10.068 1.00 0.00 C ATOM 1316 O TYR B 37 53.850 -8.312 10.744 1.00 0.00 O ATOM 1317 CB TYR B 37 51.190 -6.475 9.873 1.00 0.00 C ATOM 1318 CG TYR B 37 51.557 -6.031 11.269 1.00 0.00 C ATOM 1319 CD1 TYR B 37 52.345 -4.888 11.450 1.00 0.00 C ATOM 1320 CD2 TYR B 37 51.111 -6.758 12.380 1.00 0.00 C ATOM 1321 CE1 TYR B 37 52.687 -4.471 12.741 1.00 0.00 C ATOM 1322 CE2 TYR B 37 51.454 -6.340 13.672 1.00 0.00 C ATOM 1323 CZ TYR B 37 52.243 -5.197 13.852 1.00 0.00 C ATOM 1324 OH TYR B 37 52.580 -4.786 15.126 1.00 0.00 O ATOM 0 H TYR B 37 51.094 -7.386 7.593 1.00 0.00 H new ATOM 0 HA TYR B 37 53.225 -6.454 9.168 1.00 0.00 H new ATOM 0 HB2 TYR B 37 50.879 -5.617 9.277 1.00 0.00 H new ATOM 0 HB3 TYR B 37 50.344 -7.162 9.908 1.00 0.00 H new ATOM 0 HD1 TYR B 37 52.689 -4.328 10.593 1.00 0.00 H new ATOM 0 HD2 TYR B 37 50.503 -7.640 12.241 1.00 0.00 H new ATOM 0 HE1 TYR B 37 53.294 -3.589 12.880 1.00 0.00 H new ATOM 0 HE2 TYR B 37 51.110 -6.899 14.530 1.00 0.00 H new ATOM 0 HH TYR B 37 53.251 -5.395 15.499 1.00 0.00 H new ATOM 1334 N HIS B 38 52.026 -9.415 10.025 1.00 0.00 N ATOM 1335 CA HIS B 38 52.338 -10.612 10.793 1.00 0.00 C ATOM 1336 C HIS B 38 53.654 -11.220 10.330 1.00 0.00 C ATOM 1337 O HIS B 38 54.468 -11.643 11.144 1.00 0.00 O ATOM 1338 CB HIS B 38 51.220 -11.643 10.632 1.00 0.00 C ATOM 1339 CG HIS B 38 50.007 -11.195 11.396 1.00 0.00 C ATOM 1340 ND1 HIS B 38 49.963 -11.201 12.782 1.00 0.00 N ATOM 1341 CD2 HIS B 38 48.786 -10.728 10.985 1.00 0.00 C ATOM 1342 CE1 HIS B 38 48.750 -10.750 13.150 1.00 0.00 C ATOM 1343 NE2 HIS B 38 47.992 -10.446 12.093 1.00 0.00 N ATOM 0 H HIS B 38 51.170 -9.472 9.473 1.00 0.00 H new ATOM 0 HA HIS B 38 52.428 -10.330 11.842 1.00 0.00 H new ATOM 0 HB2 HIS B 38 50.973 -11.765 9.577 1.00 0.00 H new ATOM 0 HB3 HIS B 38 51.553 -12.615 10.996 1.00 0.00 H new ATOM 0 HD2 HIS B 38 48.485 -10.598 9.956 1.00 0.00 H new ATOM 0 HE1 HIS B 38 48.428 -10.646 14.176 1.00 0.00 H new ATOM 0 HE2 HIS B 38 47.038 -10.085 12.097 1.00 0.00 H new ATOM 1352 N GLN B 39 53.861 -11.254 9.018 1.00 0.00 N ATOM 1353 CA GLN B 39 55.088 -11.817 8.465 1.00 0.00 C ATOM 1354 C GLN B 39 56.318 -11.036 8.916 1.00 0.00 C ATOM 1355 O GLN B 39 57.363 -11.614 9.202 1.00 0.00 O ATOM 1356 CB GLN B 39 55.034 -11.777 6.937 1.00 0.00 C ATOM 1357 CG GLN B 39 56.278 -12.460 6.365 1.00 0.00 C ATOM 1358 CD GLN B 39 56.476 -12.043 4.911 1.00 0.00 C ATOM 1359 OE1 GLN B 39 56.109 -10.933 4.526 1.00 0.00 O ATOM 1360 NE2 GLN B 39 57.037 -12.874 4.074 1.00 0.00 N ATOM 0 H GLN B 39 53.202 -10.902 8.323 1.00 0.00 H new ATOM 0 HA GLN B 39 55.166 -12.843 8.825 1.00 0.00 H new ATOM 0 HB2 GLN B 39 54.134 -12.279 6.581 1.00 0.00 H new ATOM 0 HB3 GLN B 39 54.981 -10.745 6.591 1.00 0.00 H new ATOM 0 HG2 GLN B 39 57.155 -12.189 6.953 1.00 0.00 H new ATOM 0 HG3 GLN B 39 56.172 -13.543 6.431 1.00 0.00 H new ATOM 0 HE21 GLN B 39 57.341 -13.793 4.395 1.00 0.00 H new ATOM 0 HE22 GLN B 39 57.172 -12.603 3.100 1.00 0.00 H new ATOM 1369 N LEU B 40 56.176 -9.721 9.010 1.00 0.00 N ATOM 1370 CA LEU B 40 57.277 -8.883 9.475 1.00 0.00 C ATOM 1371 C LEU B 40 57.598 -9.160 10.939 1.00 0.00 C ATOM 1372 O LEU B 40 58.763 -9.171 11.339 1.00 0.00 O ATOM 1373 CB LEU B 40 56.913 -7.412 9.306 1.00 0.00 C ATOM 1374 CG LEU B 40 56.917 -7.055 7.818 1.00 0.00 C ATOM 1375 CD1 LEU B 40 56.281 -5.680 7.628 1.00 0.00 C ATOM 1376 CD2 LEU B 40 58.356 -7.029 7.278 1.00 0.00 C ATOM 0 H LEU B 40 55.322 -9.215 8.774 1.00 0.00 H new ATOM 0 HA LEU B 40 58.158 -9.118 8.877 1.00 0.00 H new ATOM 0 HB2 LEU B 40 55.930 -7.218 9.735 1.00 0.00 H new ATOM 0 HB3 LEU B 40 57.625 -6.786 9.843 1.00 0.00 H new ATOM 0 HG LEU B 40 56.348 -7.808 7.272 1.00 0.00 H new ATOM 0 HD11 LEU B 40 56.282 -5.422 6.569 1.00 0.00 H new ATOM 0 HD12 LEU B 40 55.255 -5.700 7.996 1.00 0.00 H new ATOM 0 HD13 LEU B 40 56.851 -4.935 8.183 1.00 0.00 H new ATOM 0 HD21 LEU B 40 58.342 -6.774 6.218 1.00 0.00 H new ATOM 0 HD22 LEU B 40 58.936 -6.284 7.823 1.00 0.00 H new ATOM 0 HD23 LEU B 40 58.811 -8.011 7.409 1.00 0.00 H new ATOM 1388 N THR B 41 56.558 -9.366 11.736 1.00 0.00 N ATOM 1389 CA THR B 41 56.739 -9.625 13.158 1.00 0.00 C ATOM 1390 C THR B 41 56.913 -11.118 13.426 1.00 0.00 C ATOM 1391 O THR B 41 57.264 -11.515 14.538 1.00 0.00 O ATOM 1392 CB THR B 41 55.530 -9.103 13.934 1.00 0.00 C ATOM 1393 OG1 THR B 41 54.375 -9.847 13.569 1.00 0.00 O ATOM 1394 CG2 THR B 41 55.310 -7.626 13.602 1.00 0.00 C ATOM 0 H THR B 41 55.587 -9.359 11.425 1.00 0.00 H new ATOM 0 HA THR B 41 57.641 -9.109 13.488 1.00 0.00 H new ATOM 0 HB THR B 41 55.710 -9.213 15.003 1.00 0.00 H new ATOM 0 HG1 THR B 41 54.545 -10.325 12.731 1.00 0.00 H new ATOM 0 HG21 THR B 41 54.448 -7.253 14.155 1.00 0.00 H new ATOM 0 HG22 THR B 41 56.195 -7.055 13.881 1.00 0.00 H new ATOM 0 HG23 THR B 41 55.130 -7.516 12.533 1.00 0.00 H new ATOM 1402 N GLU B 42 56.667 -11.935 12.405 1.00 0.00 N ATOM 1403 CA GLU B 42 56.803 -13.384 12.543 1.00 0.00 C ATOM 1404 C GLU B 42 57.776 -13.939 11.510 1.00 0.00 C ATOM 1405 O GLU B 42 58.886 -14.349 11.848 1.00 0.00 O ATOM 1406 CB GLU B 42 55.441 -14.057 12.370 1.00 0.00 C ATOM 1407 CG GLU B 42 54.463 -13.508 13.413 1.00 0.00 C ATOM 1408 CD GLU B 42 54.915 -13.916 14.810 1.00 0.00 C ATOM 1409 OE1 GLU B 42 55.685 -14.857 14.910 1.00 0.00 O ATOM 1410 OE2 GLU B 42 54.485 -13.282 15.759 1.00 0.00 O ATOM 0 H GLU B 42 56.375 -11.622 11.479 1.00 0.00 H new ATOM 0 HA GLU B 42 57.192 -13.594 13.539 1.00 0.00 H new ATOM 0 HB2 GLU B 42 55.058 -13.875 11.366 1.00 0.00 H new ATOM 0 HB3 GLU B 42 55.540 -15.137 12.482 1.00 0.00 H new ATOM 0 HG2 GLU B 42 54.412 -12.422 13.340 1.00 0.00 H new ATOM 0 HG3 GLU B 42 53.460 -13.888 13.220 1.00 0.00 H new ATOM 1417 N GLY B 43 57.351 -13.950 10.250 1.00 0.00 N ATOM 1418 CA GLY B 43 58.258 -14.318 9.158 1.00 0.00 C ATOM 1419 C GLY B 43 57.684 -15.593 8.562 1.00 0.00 C ATOM 1420 O GLY B 43 56.467 -15.742 8.445 1.00 0.00 O ATOM 0 H GLY B 43 56.402 -13.714 9.959 1.00 0.00 H new ATOM 0 HA2 GLY B 43 58.313 -13.526 8.411 1.00 0.00 H new ATOM 0 HA3 GLY B 43 59.271 -14.479 9.527 1.00 0.00 H new ATOM 1424 N CYS B 44 58.567 -16.510 8.189 1.00 0.00 N ATOM 1425 CA CYS B 44 58.134 -17.777 7.607 1.00 0.00 C ATOM 1426 C CYS B 44 58.148 -18.888 8.653 1.00 0.00 C ATOM 1427 O CYS B 44 57.631 -19.980 8.421 1.00 0.00 O ATOM 1428 CB CYS B 44 59.043 -18.155 6.436 1.00 0.00 C ATOM 1429 SG CYS B 44 60.775 -17.907 6.900 1.00 0.00 S ATOM 0 H CYS B 44 59.578 -16.404 8.277 1.00 0.00 H new ATOM 0 HA CYS B 44 57.113 -17.655 7.245 1.00 0.00 H new ATOM 0 HB2 CYS B 44 58.877 -19.195 6.156 1.00 0.00 H new ATOM 0 HB3 CYS B 44 58.800 -17.548 5.564 1.00 0.00 H new ATOM 0 HG CYS B 44 61.156 -16.719 6.534 1.00 0.00 H new ATOM 1434 N GLY B 45 58.737 -18.597 9.806 1.00 0.00 N ATOM 1435 CA GLY B 45 58.807 -19.576 10.885 1.00 0.00 C ATOM 1436 C GLY B 45 60.097 -20.386 10.802 1.00 0.00 C ATOM 1437 O GLY B 45 60.502 -21.026 11.773 1.00 0.00 O ATOM 0 H GLY B 45 59.170 -17.698 10.018 1.00 0.00 H new ATOM 0 HA2 GLY B 45 58.754 -19.067 11.847 1.00 0.00 H new ATOM 0 HA3 GLY B 45 57.948 -20.245 10.830 1.00 0.00 H new ATOM 1441 N ASN B 46 60.737 -20.354 9.637 1.00 0.00 N ATOM 1442 CA ASN B 46 61.979 -21.087 9.437 1.00 0.00 C ATOM 1443 C ASN B 46 63.096 -20.486 10.279 1.00 0.00 C ATOM 1444 O ASN B 46 63.163 -19.271 10.466 1.00 0.00 O ATOM 1445 CB ASN B 46 62.373 -21.056 7.959 1.00 0.00 C ATOM 1446 CG ASN B 46 61.422 -21.926 7.144 1.00 0.00 C ATOM 1447 OD1 ASN B 46 60.755 -22.803 7.695 1.00 0.00 O ATOM 1448 ND2 ASN B 46 61.321 -21.738 5.856 1.00 0.00 N ATOM 0 H ASN B 46 60.417 -19.831 8.822 1.00 0.00 H new ATOM 0 HA ASN B 46 61.824 -22.120 9.747 1.00 0.00 H new ATOM 0 HB2 ASN B 46 62.347 -20.031 7.589 1.00 0.00 H new ATOM 0 HB3 ASN B 46 63.396 -21.412 7.840 1.00 0.00 H new ATOM 0 HD21 ASN B 46 60.689 -22.318 5.304 1.00 0.00 H new ATOM 0 HD22 ASN B 46 61.874 -21.011 5.402 1.00 0.00 H new ATOM 1455 N GLU B 47 63.970 -21.346 10.784 1.00 0.00 N ATOM 1456 CA GLU B 47 65.084 -20.892 11.610 1.00 0.00 C ATOM 1457 C GLU B 47 66.001 -19.975 10.809 1.00 0.00 C ATOM 1458 O GLU B 47 66.495 -18.973 11.326 1.00 0.00 O ATOM 1459 CB GLU B 47 65.882 -22.093 12.124 1.00 0.00 C ATOM 1460 CG GLU B 47 65.040 -22.866 13.141 1.00 0.00 C ATOM 1461 CD GLU B 47 65.791 -24.112 13.600 1.00 0.00 C ATOM 1462 OE1 GLU B 47 66.812 -24.416 13.006 1.00 0.00 O ATOM 1463 OE2 GLU B 47 65.333 -24.741 14.539 1.00 0.00 O ATOM 0 H GLU B 47 63.932 -22.355 10.639 1.00 0.00 H new ATOM 0 HA GLU B 47 64.681 -20.338 12.458 1.00 0.00 H new ATOM 0 HB2 GLU B 47 66.156 -22.743 11.293 1.00 0.00 H new ATOM 0 HB3 GLU B 47 66.810 -21.756 12.585 1.00 0.00 H new ATOM 0 HG2 GLU B 47 64.815 -22.230 13.998 1.00 0.00 H new ATOM 0 HG3 GLU B 47 64.086 -23.149 12.696 1.00 0.00 H new ATOM 1470 N ALA B 48 66.220 -20.323 9.543 1.00 0.00 N ATOM 1471 CA ALA B 48 67.075 -19.521 8.676 1.00 0.00 C ATOM 1472 C ALA B 48 66.390 -19.267 7.338 1.00 0.00 C ATOM 1473 O ALA B 48 65.925 -20.199 6.680 1.00 0.00 O ATOM 1474 CB ALA B 48 68.405 -20.242 8.440 1.00 0.00 C ATOM 0 H ALA B 48 65.820 -21.149 9.099 1.00 0.00 H new ATOM 0 HA ALA B 48 67.262 -18.565 9.165 1.00 0.00 H new ATOM 0 HB1 ALA B 48 69.037 -19.636 7.791 1.00 0.00 H new ATOM 0 HB2 ALA B 48 68.908 -20.399 9.394 1.00 0.00 H new ATOM 0 HB3 ALA B 48 68.217 -21.206 7.966 1.00 0.00 H new ATOM 1480 N CYS B 49 66.331 -17.999 6.942 1.00 0.00 N ATOM 1481 CA CYS B 49 65.701 -17.631 5.678 1.00 0.00 C ATOM 1482 C CYS B 49 66.595 -16.638 4.943 1.00 0.00 C ATOM 1483 O CYS B 49 67.055 -15.654 5.523 1.00 0.00 O ATOM 1484 CB CYS B 49 64.312 -17.046 5.938 1.00 0.00 C ATOM 1485 SG CYS B 49 63.547 -16.585 4.364 1.00 0.00 S ATOM 0 H CYS B 49 66.709 -17.214 7.473 1.00 0.00 H new ATOM 0 HA CYS B 49 65.577 -18.514 5.052 1.00 0.00 H new ATOM 0 HB2 CYS B 49 63.690 -17.775 6.457 1.00 0.00 H new ATOM 0 HB3 CYS B 49 64.389 -16.173 6.587 1.00 0.00 H new ATOM 0 HG CYS B 49 62.535 -15.801 4.587 1.00 0.00 H new ATOM 1490 N THR B 50 66.811 -16.882 3.654 1.00 0.00 N ATOM 1491 CA THR B 50 67.618 -15.978 2.845 1.00 0.00 C ATOM 1492 C THR B 50 66.729 -15.108 1.960 1.00 0.00 C ATOM 1493 O THR B 50 66.601 -15.351 0.761 1.00 0.00 O ATOM 1494 CB THR B 50 68.579 -16.787 1.968 1.00 0.00 C ATOM 1495 OG1 THR B 50 69.418 -17.580 2.795 1.00 0.00 O ATOM 1496 CG2 THR B 50 69.436 -15.836 1.130 1.00 0.00 C ATOM 0 H THR B 50 66.442 -17.690 3.152 1.00 0.00 H new ATOM 0 HA THR B 50 68.187 -15.331 3.513 1.00 0.00 H new ATOM 0 HB THR B 50 68.006 -17.434 1.304 1.00 0.00 H new ATOM 0 HG1 THR B 50 70.032 -18.100 2.235 1.00 0.00 H new ATOM 0 HG21 THR B 50 70.119 -16.414 0.507 1.00 0.00 H new ATOM 0 HG22 THR B 50 68.791 -15.229 0.495 1.00 0.00 H new ATOM 0 HG23 THR B 50 70.010 -15.186 1.790 1.00 0.00 H new ATOM 1504 N ASN B 51 66.127 -14.088 2.561 1.00 0.00 N ATOM 1505 CA ASN B 51 65.260 -13.180 1.822 1.00 0.00 C ATOM 1506 C ASN B 51 65.347 -11.770 2.397 1.00 0.00 C ATOM 1507 O ASN B 51 65.270 -11.580 3.610 1.00 0.00 O ATOM 1508 CB ASN B 51 63.813 -13.675 1.875 1.00 0.00 C ATOM 1509 CG ASN B 51 63.442 -14.346 0.557 1.00 0.00 C ATOM 1510 OD1 ASN B 51 63.563 -15.564 0.424 1.00 0.00 O ATOM 1511 ND2 ASN B 51 62.993 -13.620 -0.430 1.00 0.00 N ATOM 0 H ASN B 51 66.223 -13.870 3.553 1.00 0.00 H new ATOM 0 HA ASN B 51 65.591 -13.155 0.784 1.00 0.00 H new ATOM 0 HB2 ASN B 51 63.691 -14.379 2.698 1.00 0.00 H new ATOM 0 HB3 ASN B 51 63.141 -12.839 2.069 1.00 0.00 H new ATOM 0 HD21 ASN B 51 62.741 -14.061 -1.314 1.00 0.00 H new ATOM 0 HD22 ASN B 51 62.894 -12.611 -0.317 1.00 0.00 H new ATOM 1518 N GLU B 52 65.510 -10.788 1.519 1.00 0.00 N ATOM 1519 CA GLU B 52 65.608 -9.399 1.952 1.00 0.00 C ATOM 1520 C GLU B 52 64.310 -8.944 2.612 1.00 0.00 C ATOM 1521 O GLU B 52 64.332 -8.217 3.605 1.00 0.00 O ATOM 1522 CB GLU B 52 65.912 -8.499 0.754 1.00 0.00 C ATOM 1523 CG GLU B 52 67.340 -8.755 0.272 1.00 0.00 C ATOM 1524 CD GLU B 52 67.593 -8.010 -1.034 1.00 0.00 C ATOM 1525 OE1 GLU B 52 66.632 -7.536 -1.616 1.00 0.00 O ATOM 1526 OE2 GLU B 52 68.742 -7.926 -1.433 1.00 0.00 O ATOM 0 H GLU B 52 65.577 -10.925 0.510 1.00 0.00 H new ATOM 0 HA GLU B 52 66.416 -9.325 2.680 1.00 0.00 H new ATOM 0 HB2 GLU B 52 65.204 -8.696 -0.051 1.00 0.00 H new ATOM 0 HB3 GLU B 52 65.793 -7.452 1.033 1.00 0.00 H new ATOM 0 HG2 GLU B 52 68.052 -8.428 1.030 1.00 0.00 H new ATOM 0 HG3 GLU B 52 67.497 -9.824 0.126 1.00 0.00 H new ATOM 1533 N PHE B 53 63.184 -9.373 2.051 1.00 0.00 N ATOM 1534 CA PHE B 53 61.881 -8.999 2.592 1.00 0.00 C ATOM 1535 C PHE B 53 61.244 -10.174 3.326 1.00 0.00 C ATOM 1536 O PHE B 53 60.203 -10.685 2.911 1.00 0.00 O ATOM 1537 CB PHE B 53 60.961 -8.544 1.457 1.00 0.00 C ATOM 1538 CG PHE B 53 61.691 -7.553 0.581 1.00 0.00 C ATOM 1539 CD1 PHE B 53 61.927 -7.852 -0.767 1.00 0.00 C ATOM 1540 CD2 PHE B 53 62.139 -6.339 1.118 1.00 0.00 C ATOM 1541 CE1 PHE B 53 62.610 -6.936 -1.578 1.00 0.00 C ATOM 1542 CE2 PHE B 53 62.821 -5.424 0.307 1.00 0.00 C ATOM 1543 CZ PHE B 53 63.056 -5.722 -1.041 1.00 0.00 C ATOM 0 H PHE B 53 63.146 -9.975 1.229 1.00 0.00 H new ATOM 0 HA PHE B 53 62.022 -8.182 3.299 1.00 0.00 H new ATOM 0 HB2 PHE B 53 60.644 -9.403 0.866 1.00 0.00 H new ATOM 0 HB3 PHE B 53 60.059 -8.088 1.866 1.00 0.00 H new ATOM 0 HD1 PHE B 53 61.583 -8.788 -1.181 1.00 0.00 H new ATOM 0 HD2 PHE B 53 61.958 -6.109 2.158 1.00 0.00 H new ATOM 0 HE1 PHE B 53 62.792 -7.166 -2.617 1.00 0.00 H new ATOM 0 HE2 PHE B 53 63.166 -4.488 0.721 1.00 0.00 H new ATOM 0 HZ PHE B 53 63.581 -5.015 -1.667 1.00 0.00 H new ATOM 1553 N CYS B 54 61.872 -10.601 4.420 1.00 0.00 N ATOM 1554 CA CYS B 54 61.349 -11.711 5.200 1.00 0.00 C ATOM 1555 C CYS B 54 62.078 -11.815 6.536 1.00 0.00 C ATOM 1556 O CYS B 54 63.299 -11.675 6.599 1.00 0.00 O ATOM 1557 CB CYS B 54 61.511 -13.015 4.426 1.00 0.00 C ATOM 1558 SG CYS B 54 60.707 -14.352 5.340 1.00 0.00 S ATOM 0 H CYS B 54 62.736 -10.197 4.781 1.00 0.00 H new ATOM 0 HA CYS B 54 60.291 -11.532 5.389 1.00 0.00 H new ATOM 0 HB2 CYS B 54 61.070 -12.920 3.434 1.00 0.00 H new ATOM 0 HB3 CYS B 54 62.568 -13.239 4.285 1.00 0.00 H new ATOM 0 HG CYS B 54 61.317 -14.530 6.474 1.00 0.00 H new ATOM 1563 N ALA B 55 61.325 -12.074 7.599 1.00 0.00 N ATOM 1564 CA ALA B 55 61.915 -12.206 8.925 1.00 0.00 C ATOM 1565 C ALA B 55 62.750 -13.475 8.999 1.00 0.00 C ATOM 1566 O ALA B 55 62.835 -14.228 8.029 1.00 0.00 O ATOM 1567 CB ALA B 55 60.818 -12.253 9.989 1.00 0.00 C ATOM 0 H ALA B 55 60.313 -12.196 7.569 1.00 0.00 H new ATOM 0 HA ALA B 55 62.554 -11.343 9.109 1.00 0.00 H new ATOM 0 HB1 ALA B 55 61.272 -12.352 10.975 1.00 0.00 H new ATOM 0 HB2 ALA B 55 60.233 -11.334 9.949 1.00 0.00 H new ATOM 0 HB3 ALA B 55 60.166 -13.107 9.802 1.00 0.00 H new ATOM 1573 N SER B 56 63.372 -13.698 10.150 1.00 0.00 N ATOM 1574 CA SER B 56 64.207 -14.876 10.352 1.00 0.00 C ATOM 1575 C SER B 56 65.393 -14.848 9.400 1.00 0.00 C ATOM 1576 O SER B 56 66.056 -15.866 9.188 1.00 0.00 O ATOM 1577 CB SER B 56 63.393 -16.153 10.126 1.00 0.00 C ATOM 1578 OG SER B 56 62.182 -16.072 10.866 1.00 0.00 O ATOM 0 H SER B 56 63.314 -13.079 10.958 1.00 0.00 H new ATOM 0 HA SER B 56 64.573 -14.867 11.379 1.00 0.00 H new ATOM 0 HB2 SER B 56 63.177 -16.278 9.065 1.00 0.00 H new ATOM 0 HB3 SER B 56 63.967 -17.025 10.439 1.00 0.00 H new ATOM 0 HG SER B 56 61.656 -16.887 10.723 1.00 0.00 H new ATOM 1584 N CYS B 57 65.654 -13.675 8.824 1.00 0.00 N ATOM 1585 CA CYS B 57 66.765 -13.537 7.894 1.00 0.00 C ATOM 1586 C CYS B 57 67.950 -12.840 8.564 1.00 0.00 C ATOM 1587 O CYS B 57 67.764 -11.990 9.435 1.00 0.00 O ATOM 1588 CB CYS B 57 66.320 -12.734 6.669 1.00 0.00 C ATOM 1589 SG CYS B 57 65.078 -13.676 5.751 1.00 0.00 S ATOM 0 H CYS B 57 65.119 -12.821 8.984 1.00 0.00 H new ATOM 0 HA CYS B 57 67.079 -14.533 7.583 1.00 0.00 H new ATOM 0 HB2 CYS B 57 65.908 -11.774 6.980 1.00 0.00 H new ATOM 0 HB3 CYS B 57 67.177 -12.521 6.030 1.00 0.00 H new ATOM 0 HG CYS B 57 63.968 -13.001 5.704 1.00 0.00 H new ATOM 1595 N PRO B 58 69.156 -13.174 8.176 1.00 0.00 N ATOM 1596 CA PRO B 58 70.390 -12.557 8.754 1.00 0.00 C ATOM 1597 C PRO B 58 70.523 -11.080 8.390 1.00 0.00 C ATOM 1598 O PRO B 58 71.272 -10.339 9.026 1.00 0.00 O ATOM 1599 CB PRO B 58 71.528 -13.380 8.142 1.00 0.00 C ATOM 1600 CG PRO B 58 70.968 -13.953 6.887 1.00 0.00 C ATOM 1601 CD PRO B 58 69.489 -14.178 7.148 1.00 0.00 C ATOM 0 HA PRO B 58 70.385 -12.576 9.844 1.00 0.00 H new ATOM 0 HB2 PRO B 58 72.398 -12.756 7.936 1.00 0.00 H new ATOM 0 HB3 PRO B 58 71.854 -14.167 8.822 1.00 0.00 H new ATOM 0 HG2 PRO B 58 71.116 -13.273 6.048 1.00 0.00 H new ATOM 0 HG3 PRO B 58 71.465 -14.889 6.630 1.00 0.00 H new ATOM 0 HD2 PRO B 58 68.897 -14.036 6.244 1.00 0.00 H new ATOM 0 HD3 PRO B 58 69.295 -15.191 7.500 1.00 0.00 H new ATOM 1609 N THR B 59 69.795 -10.661 7.359 1.00 0.00 N ATOM 1610 CA THR B 59 69.843 -9.273 6.917 1.00 0.00 C ATOM 1611 C THR B 59 68.620 -8.505 7.409 1.00 0.00 C ATOM 1612 O THR B 59 68.471 -7.315 7.132 1.00 0.00 O ATOM 1613 CB THR B 59 69.900 -9.217 5.389 1.00 0.00 C ATOM 1614 OG1 THR B 59 68.739 -9.834 4.851 1.00 0.00 O ATOM 1615 CG2 THR B 59 71.147 -9.952 4.897 1.00 0.00 C ATOM 0 H THR B 59 69.170 -11.258 6.818 1.00 0.00 H new ATOM 0 HA THR B 59 70.737 -8.811 7.335 1.00 0.00 H new ATOM 0 HB THR B 59 69.942 -8.178 5.063 1.00 0.00 H new ATOM 0 HG1 THR B 59 68.773 -9.798 3.872 1.00 0.00 H new ATOM 0 HG21 THR B 59 71.187 -9.912 3.808 1.00 0.00 H new ATOM 0 HG22 THR B 59 72.036 -9.477 5.311 1.00 0.00 H new ATOM 0 HG23 THR B 59 71.108 -10.992 5.221 1.00 0.00 H new ATOM 1623 N PHE B 60 67.747 -9.196 8.137 1.00 0.00 N ATOM 1624 CA PHE B 60 66.536 -8.572 8.660 1.00 0.00 C ATOM 1625 C PHE B 60 66.668 -8.308 10.154 1.00 0.00 C ATOM 1626 O PHE B 60 66.978 -9.214 10.929 1.00 0.00 O ATOM 1627 CB PHE B 60 65.333 -9.479 8.413 1.00 0.00 C ATOM 1628 CG PHE B 60 64.096 -8.851 9.012 1.00 0.00 C ATOM 1629 CD1 PHE B 60 63.417 -7.845 8.316 1.00 0.00 C ATOM 1630 CD2 PHE B 60 63.631 -9.275 10.262 1.00 0.00 C ATOM 1631 CE1 PHE B 60 62.271 -7.261 8.871 1.00 0.00 C ATOM 1632 CE2 PHE B 60 62.486 -8.691 10.817 1.00 0.00 C ATOM 1633 CZ PHE B 60 61.805 -7.685 10.121 1.00 0.00 C ATOM 0 H PHE B 60 67.854 -10.182 8.377 1.00 0.00 H new ATOM 0 HA PHE B 60 66.392 -7.623 8.144 1.00 0.00 H new ATOM 0 HB2 PHE B 60 65.194 -9.633 7.343 1.00 0.00 H new ATOM 0 HB3 PHE B 60 65.507 -10.460 8.856 1.00 0.00 H new ATOM 0 HD1 PHE B 60 63.776 -7.519 7.351 1.00 0.00 H new ATOM 0 HD2 PHE B 60 64.155 -10.052 10.798 1.00 0.00 H new ATOM 0 HE1 PHE B 60 61.747 -6.484 8.335 1.00 0.00 H new ATOM 0 HE2 PHE B 60 62.128 -9.017 11.782 1.00 0.00 H new ATOM 0 HZ PHE B 60 60.920 -7.236 10.548 1.00 0.00 H new ATOM 1643 N LEU B 61 66.423 -7.064 10.550 1.00 0.00 N ATOM 1644 CA LEU B 61 66.512 -6.688 11.955 1.00 0.00 C ATOM 1645 C LEU B 61 65.114 -6.537 12.545 1.00 0.00 C ATOM 1646 O LEU B 61 64.254 -5.873 11.967 1.00 0.00 O ATOM 1647 CB LEU B 61 67.285 -5.371 12.110 1.00 0.00 C ATOM 1648 CG LEU B 61 67.351 -4.973 13.592 1.00 0.00 C ATOM 1649 CD1 LEU B 61 68.071 -6.063 14.387 1.00 0.00 C ATOM 1650 CD2 LEU B 61 68.116 -3.657 13.730 1.00 0.00 C ATOM 0 H LEU B 61 66.163 -6.303 9.922 1.00 0.00 H new ATOM 0 HA LEU B 61 67.045 -7.474 12.490 1.00 0.00 H new ATOM 0 HB2 LEU B 61 68.293 -5.482 11.709 1.00 0.00 H new ATOM 0 HB3 LEU B 61 66.798 -4.584 11.535 1.00 0.00 H new ATOM 0 HG LEU B 61 66.339 -4.852 13.979 1.00 0.00 H new ATOM 0 HD11 LEU B 61 68.116 -5.777 15.438 1.00 0.00 H new ATOM 0 HD12 LEU B 61 67.528 -7.003 14.289 1.00 0.00 H new ATOM 0 HD13 LEU B 61 69.083 -6.187 14.001 1.00 0.00 H new ATOM 0 HD21 LEU B 61 68.164 -3.373 14.781 1.00 0.00 H new ATOM 0 HD22 LEU B 61 69.127 -3.781 13.341 1.00 0.00 H new ATOM 0 HD23 LEU B 61 67.604 -2.877 13.166 1.00 0.00 H new ATOM 1662 N ARG B 62 64.896 -7.153 13.701 1.00 0.00 N ATOM 1663 CA ARG B 62 63.600 -7.080 14.360 1.00 0.00 C ATOM 1664 C ARG B 62 63.113 -5.639 14.400 1.00 0.00 C ATOM 1665 O ARG B 62 63.892 -4.712 14.626 1.00 0.00 O ATOM 1666 CB ARG B 62 63.727 -7.614 15.791 1.00 0.00 C ATOM 1667 CG ARG B 62 64.230 -9.065 15.779 1.00 0.00 C ATOM 1668 CD ARG B 62 63.115 -10.014 15.331 1.00 0.00 C ATOM 1669 NE ARG B 62 63.557 -11.395 15.447 1.00 0.00 N ATOM 1670 CZ ARG B 62 64.241 -11.976 14.469 1.00 0.00 C ATOM 1671 NH1 ARG B 62 64.536 -11.306 13.386 1.00 0.00 N ATOM 1672 NH2 ARG B 62 64.616 -13.217 14.589 1.00 0.00 N ATOM 0 H ARG B 62 65.595 -7.705 14.198 1.00 0.00 H new ATOM 0 HA ARG B 62 62.883 -7.682 13.803 1.00 0.00 H new ATOM 0 HB2 ARG B 62 64.415 -6.989 16.359 1.00 0.00 H new ATOM 0 HB3 ARG B 62 62.761 -7.562 16.292 1.00 0.00 H new ATOM 0 HG2 ARG B 62 65.084 -9.155 15.108 1.00 0.00 H new ATOM 0 HG3 ARG B 62 64.576 -9.345 16.774 1.00 0.00 H new ATOM 0 HD2 ARG B 62 62.226 -9.856 15.941 1.00 0.00 H new ATOM 0 HD3 ARG B 62 62.836 -9.799 14.299 1.00 0.00 H new ATOM 0 HE ARG B 62 63.338 -11.924 16.291 1.00 0.00 H new ATOM 0 HH11 ARG B 62 64.240 -10.334 13.291 1.00 0.00 H new ATOM 0 HH12 ARG B 62 65.062 -11.755 12.636 1.00 0.00 H new ATOM 0 HH21 ARG B 62 64.384 -13.741 15.433 1.00 0.00 H new ATOM 0 HH22 ARG B 62 65.142 -13.666 13.839 1.00 0.00 H new ATOM 1686 N MET B 63 61.817 -5.470 14.164 1.00 0.00 N ATOM 1687 CA MET B 63 61.205 -4.146 14.158 1.00 0.00 C ATOM 1688 C MET B 63 59.986 -4.098 15.077 1.00 0.00 C ATOM 1689 O MET B 63 59.346 -5.119 15.333 1.00 0.00 O ATOM 1690 CB MET B 63 60.786 -3.777 12.734 1.00 0.00 C ATOM 1691 CG MET B 63 61.810 -2.815 12.135 1.00 0.00 C ATOM 1692 SD MET B 63 61.481 -2.603 10.368 1.00 0.00 S ATOM 1693 CE MET B 63 63.201 -2.437 9.832 1.00 0.00 C ATOM 0 H MET B 63 61.169 -6.234 13.974 1.00 0.00 H new ATOM 0 HA MET B 63 61.941 -3.430 14.525 1.00 0.00 H new ATOM 0 HB2 MET B 63 60.713 -4.675 12.121 1.00 0.00 H new ATOM 0 HB3 MET B 63 59.799 -3.315 12.742 1.00 0.00 H new ATOM 0 HG2 MET B 63 61.760 -1.852 12.643 1.00 0.00 H new ATOM 0 HG3 MET B 63 62.818 -3.202 12.284 1.00 0.00 H new ATOM 0 HE1 MET B 63 63.230 -2.206 8.767 1.00 0.00 H new ATOM 0 HE2 MET B 63 63.680 -1.633 10.391 1.00 0.00 H new ATOM 0 HE3 MET B 63 63.731 -3.372 10.015 1.00 0.00 H new ATOM 1703 N ASP B 64 59.675 -2.902 15.565 1.00 0.00 N ATOM 1704 CA ASP B 64 58.536 -2.716 16.453 1.00 0.00 C ATOM 1705 C ASP B 64 57.239 -2.795 15.663 1.00 0.00 C ATOM 1706 O ASP B 64 57.252 -2.868 14.437 1.00 0.00 O ATOM 1707 CB ASP B 64 58.640 -1.373 17.175 1.00 0.00 C ATOM 1708 CG ASP B 64 59.766 -1.419 18.204 1.00 0.00 C ATOM 1709 OD1 ASP B 64 60.248 -2.506 18.477 1.00 0.00 O ATOM 1710 OD2 ASP B 64 60.125 -0.368 18.705 1.00 0.00 O ATOM 0 H ASP B 64 60.195 -2.049 15.360 1.00 0.00 H new ATOM 0 HA ASP B 64 58.539 -3.510 17.199 1.00 0.00 H new ATOM 0 HB2 ASP B 64 58.827 -0.577 16.454 1.00 0.00 H new ATOM 0 HB3 ASP B 64 57.696 -1.141 17.667 1.00 0.00 H new ATOM 1715 N ASN B 65 56.118 -2.768 16.370 1.00 0.00 N ATOM 1716 CA ASN B 65 54.820 -2.823 15.712 1.00 0.00 C ATOM 1717 C ASN B 65 54.634 -1.624 14.788 1.00 0.00 C ATOM 1718 O ASN B 65 54.165 -1.766 13.659 1.00 0.00 O ATOM 1719 CB ASN B 65 53.706 -2.830 16.766 1.00 0.00 C ATOM 1720 CG ASN B 65 53.671 -4.171 17.489 1.00 0.00 C ATOM 1721 OD1 ASN B 65 54.109 -5.183 16.945 1.00 0.00 O ATOM 1722 ND2 ASN B 65 53.176 -4.237 18.696 1.00 0.00 N ATOM 0 H ASN B 65 56.080 -2.709 17.388 1.00 0.00 H new ATOM 0 HA ASN B 65 54.772 -3.736 15.118 1.00 0.00 H new ATOM 0 HB2 ASN B 65 53.870 -2.026 17.484 1.00 0.00 H new ATOM 0 HB3 ASN B 65 52.744 -2.641 16.290 1.00 0.00 H new ATOM 0 HD21 ASN B 65 53.152 -5.129 19.189 1.00 0.00 H new ATOM 0 HD22 ASN B 65 52.813 -3.396 19.145 1.00 0.00 H new ATOM 1729 N ASN B 66 55.013 -0.447 15.265 1.00 0.00 N ATOM 1730 CA ASN B 66 54.887 0.761 14.459 1.00 0.00 C ATOM 1731 C ASN B 66 55.812 0.694 13.245 1.00 0.00 C ATOM 1732 O ASN B 66 55.406 0.987 12.118 1.00 0.00 O ATOM 1733 CB ASN B 66 55.242 1.987 15.308 1.00 0.00 C ATOM 1734 CG ASN B 66 54.141 2.252 16.330 1.00 0.00 C ATOM 1735 OD1 ASN B 66 53.010 1.799 16.157 1.00 0.00 O ATOM 1736 ND2 ASN B 66 54.405 2.965 17.391 1.00 0.00 N ATOM 0 H ASN B 66 55.406 -0.302 16.195 1.00 0.00 H new ATOM 0 HA ASN B 66 53.857 0.842 14.111 1.00 0.00 H new ATOM 0 HB2 ASN B 66 56.191 1.823 15.818 1.00 0.00 H new ATOM 0 HB3 ASN B 66 55.371 2.859 14.666 1.00 0.00 H new ATOM 0 HD21 ASN B 66 53.673 3.147 18.078 1.00 0.00 H new ATOM 0 HD22 ASN B 66 55.343 3.340 17.533 1.00 0.00 H new ATOM 1743 N ALA B 67 57.055 0.288 13.481 1.00 0.00 N ATOM 1744 CA ALA B 67 58.029 0.178 12.400 1.00 0.00 C ATOM 1745 C ALA B 67 57.595 -0.890 11.407 1.00 0.00 C ATOM 1746 O ALA B 67 57.787 -0.747 10.198 1.00 0.00 O ATOM 1747 CB ALA B 67 59.408 -0.158 12.967 1.00 0.00 C ATOM 0 H ALA B 67 57.410 0.032 14.402 1.00 0.00 H new ATOM 0 HA ALA B 67 58.086 1.135 11.881 1.00 0.00 H new ATOM 0 HB1 ALA B 67 60.127 -0.238 12.152 1.00 0.00 H new ATOM 0 HB2 ALA B 67 59.722 0.630 13.652 1.00 0.00 H new ATOM 0 HB3 ALA B 67 59.360 -1.106 13.503 1.00 0.00 H new ATOM 1753 N ALA B 68 57.002 -1.959 11.928 1.00 0.00 N ATOM 1754 CA ALA B 68 56.638 -3.098 11.095 1.00 0.00 C ATOM 1755 C ALA B 68 55.461 -2.650 10.236 1.00 0.00 C ATOM 1756 O ALA B 68 55.351 -3.030 9.071 1.00 0.00 O ATOM 1757 CB ALA B 68 56.234 -4.286 11.966 1.00 0.00 C ATOM 0 H ALA B 68 56.765 -2.060 12.915 1.00 0.00 H new ATOM 0 HA ALA B 68 57.478 -3.416 10.477 1.00 0.00 H new ATOM 0 HB1 ALA B 68 55.965 -5.129 11.330 1.00 0.00 H new ATOM 0 HB2 ALA B 68 57.069 -4.568 12.607 1.00 0.00 H new ATOM 0 HB3 ALA B 68 55.379 -4.010 12.584 1.00 0.00 H new ATOM 1763 N ALA B 69 54.578 -1.841 10.820 1.00 0.00 N ATOM 1764 CA ALA B 69 53.411 -1.356 10.095 1.00 0.00 C ATOM 1765 C ALA B 69 53.834 -0.570 8.860 1.00 0.00 C ATOM 1766 O ALA B 69 53.246 -0.713 7.789 1.00 0.00 O ATOM 1767 CB ALA B 69 52.572 -0.460 11.008 1.00 0.00 C ATOM 0 H ALA B 69 54.649 -1.512 11.783 1.00 0.00 H new ATOM 0 HA ALA B 69 52.819 -2.214 9.778 1.00 0.00 H new ATOM 0 HB1 ALA B 69 51.700 -0.099 10.462 1.00 0.00 H new ATOM 0 HB2 ALA B 69 52.245 -1.031 11.877 1.00 0.00 H new ATOM 0 HB3 ALA B 69 53.172 0.389 11.336 1.00 0.00 H new ATOM 1773 N ILE B 70 54.863 0.249 9.009 1.00 0.00 N ATOM 1774 CA ILE B 70 55.361 1.041 7.889 1.00 0.00 C ATOM 1775 C ILE B 70 55.899 0.127 6.796 1.00 0.00 C ATOM 1776 O ILE B 70 55.600 0.312 5.617 1.00 0.00 O ATOM 1777 CB ILE B 70 56.467 1.992 8.375 1.00 0.00 C ATOM 1778 CG1 ILE B 70 55.848 3.344 8.749 1.00 0.00 C ATOM 1779 CG2 ILE B 70 57.513 2.208 7.272 1.00 0.00 C ATOM 1780 CD1 ILE B 70 54.644 3.134 9.674 1.00 0.00 C ATOM 0 H ILE B 70 55.368 0.384 9.885 1.00 0.00 H new ATOM 0 HA ILE B 70 54.540 1.629 7.478 1.00 0.00 H new ATOM 0 HB ILE B 70 56.953 1.548 9.244 1.00 0.00 H new ATOM 0 HG12 ILE B 70 56.592 3.969 9.243 1.00 0.00 H new ATOM 0 HG13 ILE B 70 55.536 3.872 7.848 1.00 0.00 H new ATOM 0 HG21 ILE B 70 58.288 2.884 7.633 1.00 0.00 H new ATOM 0 HG22 ILE B 70 57.961 1.251 7.003 1.00 0.00 H new ATOM 0 HG23 ILE B 70 57.033 2.642 6.395 1.00 0.00 H new ATOM 0 HD11 ILE B 70 54.212 4.100 9.934 1.00 0.00 H new ATOM 0 HD12 ILE B 70 53.896 2.527 9.165 1.00 0.00 H new ATOM 0 HD13 ILE B 70 54.967 2.625 10.582 1.00 0.00 H new ATOM 1792 N LYS B 71 56.690 -0.857 7.195 1.00 0.00 N ATOM 1793 CA LYS B 71 57.258 -1.789 6.234 1.00 0.00 C ATOM 1794 C LYS B 71 56.156 -2.591 5.560 1.00 0.00 C ATOM 1795 O LYS B 71 56.201 -2.844 4.354 1.00 0.00 O ATOM 1796 CB LYS B 71 58.243 -2.729 6.934 1.00 0.00 C ATOM 1797 CG LYS B 71 59.520 -1.965 7.289 1.00 0.00 C ATOM 1798 CD LYS B 71 60.497 -2.013 6.110 1.00 0.00 C ATOM 1799 CE LYS B 71 61.362 -3.270 6.212 1.00 0.00 C ATOM 1800 NZ LYS B 71 62.263 -3.348 5.029 1.00 0.00 N ATOM 0 H LYS B 71 56.951 -1.030 8.166 1.00 0.00 H new ATOM 0 HA LYS B 71 57.792 -1.223 5.471 1.00 0.00 H new ATOM 0 HB2 LYS B 71 57.790 -3.139 7.837 1.00 0.00 H new ATOM 0 HB3 LYS B 71 58.480 -3.572 6.285 1.00 0.00 H new ATOM 0 HG2 LYS B 71 59.280 -0.930 7.533 1.00 0.00 H new ATOM 0 HG3 LYS B 71 59.982 -2.402 8.174 1.00 0.00 H new ATOM 0 HD2 LYS B 71 59.947 -2.013 5.169 1.00 0.00 H new ATOM 0 HD3 LYS B 71 61.128 -1.124 6.111 1.00 0.00 H new ATOM 0 HE2 LYS B 71 61.950 -3.247 7.130 1.00 0.00 H new ATOM 0 HE3 LYS B 71 60.730 -4.157 6.261 1.00 0.00 H new ATOM 0 HZ1 LYS B 71 62.852 -4.202 5.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 71 61.693 -3.389 4.160 1.00 0.00 H new ATOM 0 HZ3 LYS B 71 62.875 -2.507 5.002 1.00 0.00 H new ATOM 1814 N ALA B 72 55.159 -2.981 6.345 1.00 0.00 N ATOM 1815 CA ALA B 72 54.040 -3.746 5.818 1.00 0.00 C ATOM 1816 C ALA B 72 53.296 -2.927 4.778 1.00 0.00 C ATOM 1817 O ALA B 72 52.873 -3.454 3.749 1.00 0.00 O ATOM 1818 CB ALA B 72 53.085 -4.128 6.951 1.00 0.00 C ATOM 0 H ALA B 72 55.104 -2.781 7.344 1.00 0.00 H new ATOM 0 HA ALA B 72 54.424 -4.654 5.353 1.00 0.00 H new ATOM 0 HB1 ALA B 72 52.251 -4.700 6.546 1.00 0.00 H new ATOM 0 HB2 ALA B 72 53.616 -4.732 7.687 1.00 0.00 H new ATOM 0 HB3 ALA B 72 52.707 -3.224 7.429 1.00 0.00 H new ATOM 1824 N LEU B 73 53.132 -1.633 5.049 1.00 0.00 N ATOM 1825 CA LEU B 73 52.425 -0.766 4.115 1.00 0.00 C ATOM 1826 C LEU B 73 53.162 -0.711 2.778 1.00 0.00 C ATOM 1827 O LEU B 73 52.545 -0.777 1.713 1.00 0.00 O ATOM 1828 CB LEU B 73 52.309 0.645 4.702 1.00 0.00 C ATOM 1829 CG LEU B 73 51.541 1.558 3.736 1.00 0.00 C ATOM 1830 CD1 LEU B 73 50.121 1.024 3.535 1.00 0.00 C ATOM 1831 CD2 LEU B 73 51.476 2.971 4.315 1.00 0.00 C ATOM 0 H LEU B 73 53.473 -1.171 5.892 1.00 0.00 H new ATOM 0 HA LEU B 73 51.427 -1.171 3.949 1.00 0.00 H new ATOM 0 HB2 LEU B 73 51.796 0.606 5.663 1.00 0.00 H new ATOM 0 HB3 LEU B 73 53.303 1.053 4.887 1.00 0.00 H new ATOM 0 HG LEU B 73 52.056 1.579 2.776 1.00 0.00 H new ATOM 0 HD11 LEU B 73 49.581 1.676 2.849 1.00 0.00 H new ATOM 0 HD12 LEU B 73 50.166 0.017 3.119 1.00 0.00 H new ATOM 0 HD13 LEU B 73 49.603 0.998 4.494 1.00 0.00 H new ATOM 0 HD21 LEU B 73 50.931 3.620 3.630 1.00 0.00 H new ATOM 0 HD22 LEU B 73 50.964 2.947 5.277 1.00 0.00 H new ATOM 0 HD23 LEU B 73 52.487 3.355 4.452 1.00 0.00 H new ATOM 1843 N GLU B 74 54.482 -0.583 2.842 1.00 0.00 N ATOM 1844 CA GLU B 74 55.295 -0.514 1.632 1.00 0.00 C ATOM 1845 C GLU B 74 55.193 -1.818 0.847 1.00 0.00 C ATOM 1846 O GLU B 74 55.133 -1.809 -0.382 1.00 0.00 O ATOM 1847 CB GLU B 74 56.754 -0.239 1.998 1.00 0.00 C ATOM 1848 CG GLU B 74 56.889 1.194 2.519 1.00 0.00 C ATOM 1849 CD GLU B 74 58.285 1.412 3.089 1.00 0.00 C ATOM 1850 OE1 GLU B 74 58.958 0.427 3.348 1.00 0.00 O ATOM 1851 OE2 GLU B 74 58.663 2.559 3.257 1.00 0.00 O ATOM 0 H GLU B 74 55.010 -0.525 3.713 1.00 0.00 H new ATOM 0 HA GLU B 74 54.923 0.299 1.008 1.00 0.00 H new ATOM 0 HB2 GLU B 74 57.089 -0.946 2.757 1.00 0.00 H new ATOM 0 HB3 GLU B 74 57.392 -0.382 1.126 1.00 0.00 H new ATOM 0 HG2 GLU B 74 56.702 1.902 1.712 1.00 0.00 H new ATOM 0 HG3 GLU B 74 56.140 1.382 3.288 1.00 0.00 H new ATOM 1858 N LEU B 75 55.173 -2.936 1.566 1.00 0.00 N ATOM 1859 CA LEU B 75 55.076 -4.247 0.928 1.00 0.00 C ATOM 1860 C LEU B 75 53.767 -4.365 0.154 1.00 0.00 C ATOM 1861 O LEU B 75 53.726 -4.897 -0.952 1.00 0.00 O ATOM 1862 CB LEU B 75 55.144 -5.339 1.997 1.00 0.00 C ATOM 1863 CG LEU B 75 56.569 -5.414 2.567 1.00 0.00 C ATOM 1864 CD1 LEU B 75 56.545 -6.162 3.901 1.00 0.00 C ATOM 1865 CD2 LEU B 75 57.503 -6.161 1.599 1.00 0.00 C ATOM 0 H LEU B 75 55.222 -2.962 2.584 1.00 0.00 H new ATOM 0 HA LEU B 75 55.906 -4.365 0.231 1.00 0.00 H new ATOM 0 HB2 LEU B 75 54.433 -5.126 2.795 1.00 0.00 H new ATOM 0 HB3 LEU B 75 54.862 -6.300 1.568 1.00 0.00 H new ATOM 0 HG LEU B 75 56.938 -4.398 2.707 1.00 0.00 H new ATOM 0 HD11 LEU B 75 57.555 -6.216 4.306 1.00 0.00 H new ATOM 0 HD12 LEU B 75 55.900 -5.633 4.603 1.00 0.00 H new ATOM 0 HD13 LEU B 75 56.162 -7.171 3.746 1.00 0.00 H new ATOM 0 HD21 LEU B 75 58.507 -6.203 2.022 1.00 0.00 H new ATOM 0 HD22 LEU B 75 57.132 -7.174 1.444 1.00 0.00 H new ATOM 0 HD23 LEU B 75 57.533 -5.636 0.644 1.00 0.00 H new ATOM 1877 N TYR B 76 52.695 -3.861 0.743 1.00 0.00 N ATOM 1878 CA TYR B 76 51.398 -3.899 0.087 1.00 0.00 C ATOM 1879 C TYR B 76 51.425 -3.051 -1.181 1.00 0.00 C ATOM 1880 O TYR B 76 50.972 -3.481 -2.241 1.00 0.00 O ATOM 1881 CB TYR B 76 50.312 -3.392 1.032 1.00 0.00 C ATOM 1882 CG TYR B 76 48.980 -3.410 0.321 1.00 0.00 C ATOM 1883 CD1 TYR B 76 48.303 -4.620 0.134 1.00 0.00 C ATOM 1884 CD2 TYR B 76 48.421 -2.215 -0.145 1.00 0.00 C ATOM 1885 CE1 TYR B 76 47.066 -4.637 -0.521 1.00 0.00 C ATOM 1886 CE2 TYR B 76 47.183 -2.232 -0.801 1.00 0.00 C ATOM 1887 CZ TYR B 76 46.508 -3.445 -0.989 1.00 0.00 C ATOM 1888 OH TYR B 76 45.287 -3.466 -1.633 1.00 0.00 O ATOM 0 H TYR B 76 52.696 -3.425 1.665 1.00 0.00 H new ATOM 0 HA TYR B 76 51.174 -4.931 -0.183 1.00 0.00 H new ATOM 0 HB2 TYR B 76 50.269 -4.018 1.924 1.00 0.00 H new ATOM 0 HB3 TYR B 76 50.546 -2.380 1.363 1.00 0.00 H new ATOM 0 HD1 TYR B 76 48.735 -5.542 0.495 1.00 0.00 H new ATOM 0 HD2 TYR B 76 48.943 -1.281 0.001 1.00 0.00 H new ATOM 0 HE1 TYR B 76 46.543 -5.571 -0.664 1.00 0.00 H new ATOM 0 HE2 TYR B 76 46.750 -1.311 -1.161 1.00 0.00 H new ATOM 0 HH TYR B 76 45.068 -4.386 -1.890 1.00 0.00 H new ATOM 1898 N LYS B 77 51.959 -1.834 -1.063 1.00 0.00 N ATOM 1899 CA LYS B 77 52.038 -0.929 -2.204 1.00 0.00 C ATOM 1900 C LYS B 77 52.864 -1.542 -3.329 1.00 0.00 C ATOM 1901 O LYS B 77 52.452 -1.538 -4.487 1.00 0.00 O ATOM 1902 CB LYS B 77 52.668 0.399 -1.768 1.00 0.00 C ATOM 1903 CG LYS B 77 52.918 1.283 -2.995 1.00 0.00 C ATOM 1904 CD LYS B 77 53.352 2.676 -2.541 1.00 0.00 C ATOM 1905 CE LYS B 77 54.492 3.163 -3.433 1.00 0.00 C ATOM 1906 NZ LYS B 77 54.035 3.216 -4.852 1.00 0.00 N ATOM 0 H LYS B 77 52.340 -1.457 -0.195 1.00 0.00 H new ATOM 0 HA LYS B 77 51.028 -0.753 -2.574 1.00 0.00 H new ATOM 0 HB2 LYS B 77 52.009 0.912 -1.067 1.00 0.00 H new ATOM 0 HB3 LYS B 77 53.606 0.213 -1.245 1.00 0.00 H new ATOM 0 HG2 LYS B 77 53.688 0.838 -3.626 1.00 0.00 H new ATOM 0 HG3 LYS B 77 52.012 1.351 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS B 77 52.511 3.367 -2.595 1.00 0.00 H new ATOM 0 HD3 LYS B 77 53.675 2.648 -1.500 1.00 0.00 H new ATOM 0 HE2 LYS B 77 54.822 4.150 -3.110 1.00 0.00 H new ATOM 0 HE3 LYS B 77 55.348 2.495 -3.342 1.00 0.00 H new ATOM 0 HZ1 LYS B 77 54.708 3.777 -5.413 1.00 0.00 H new ATOM 0 HZ2 LYS B 77 53.984 2.251 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS B 77 53.094 3.657 -4.898 1.00 0.00 H new ATOM 1920 N ILE B 78 54.032 -2.066 -2.975 1.00 0.00 N ATOM 1921 CA ILE B 78 54.914 -2.676 -3.964 1.00 0.00 C ATOM 1922 C ILE B 78 54.453 -4.089 -4.290 1.00 0.00 C ATOM 1923 O ILE B 78 54.954 -4.718 -5.222 1.00 0.00 O ATOM 1924 CB ILE B 78 56.355 -2.703 -3.441 1.00 0.00 C ATOM 1925 CG1 ILE B 78 57.280 -3.258 -4.519 1.00 0.00 C ATOM 1926 CG2 ILE B 78 56.431 -3.590 -2.214 1.00 0.00 C ATOM 1927 CD1 ILE B 78 58.727 -2.880 -4.201 1.00 0.00 C ATOM 0 H ILE B 78 54.388 -2.081 -2.019 1.00 0.00 H new ATOM 0 HA ILE B 78 54.877 -2.078 -4.875 1.00 0.00 H new ATOM 0 HB ILE B 78 56.663 -1.690 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE B 78 57.181 -4.342 -4.574 1.00 0.00 H new ATOM 0 HG13 ILE B 78 56.996 -2.862 -5.494 1.00 0.00 H new ATOM 0 HG21 ILE B 78 57.455 -3.609 -1.842 1.00 0.00 H new ATOM 0 HG22 ILE B 78 55.771 -3.198 -1.440 1.00 0.00 H new ATOM 0 HG23 ILE B 78 56.121 -4.602 -2.477 1.00 0.00 H new ATOM 0 HD11 ILE B 78 59.385 -3.278 -4.973 1.00 0.00 H new ATOM 0 HD12 ILE B 78 58.821 -1.795 -4.169 1.00 0.00 H new ATOM 0 HD13 ILE B 78 59.008 -3.297 -3.234 1.00 0.00 H new ATOM 1939 N ASN B 79 53.497 -4.581 -3.516 1.00 0.00 N ATOM 1940 CA ASN B 79 52.973 -5.920 -3.727 1.00 0.00 C ATOM 1941 C ASN B 79 54.106 -6.941 -3.728 1.00 0.00 C ATOM 1942 O ASN B 79 54.098 -7.892 -4.509 1.00 0.00 O ATOM 1943 CB ASN B 79 52.222 -5.987 -5.059 1.00 0.00 C ATOM 1944 CG ASN B 79 51.313 -7.212 -5.084 1.00 0.00 C ATOM 1945 OD1 ASN B 79 50.781 -7.611 -4.048 1.00 0.00 O ATOM 1946 ND2 ASN B 79 51.102 -7.834 -6.212 1.00 0.00 N ATOM 0 H ASN B 79 53.071 -4.075 -2.740 1.00 0.00 H new ATOM 0 HA ASN B 79 52.286 -6.153 -2.913 1.00 0.00 H new ATOM 0 HB2 ASN B 79 51.631 -5.082 -5.198 1.00 0.00 H new ATOM 0 HB3 ASN B 79 52.932 -6.034 -5.884 1.00 0.00 H new ATOM 0 HD21 ASN B 79 50.495 -8.653 -6.237 1.00 0.00 H new ATOM 0 HD22 ASN B 79 51.544 -7.501 -7.069 1.00 0.00 H new ATOM 1953 N ALA B 80 55.079 -6.736 -2.845 1.00 0.00 N ATOM 1954 CA ALA B 80 56.213 -7.643 -2.747 1.00 0.00 C ATOM 1955 C ALA B 80 55.727 -9.074 -2.538 1.00 0.00 C ATOM 1956 O ALA B 80 54.727 -9.309 -1.858 1.00 0.00 O ATOM 1957 CB ALA B 80 57.111 -7.228 -1.581 1.00 0.00 C ATOM 0 H ALA B 80 55.103 -5.953 -2.191 1.00 0.00 H new ATOM 0 HA ALA B 80 56.782 -7.595 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA B 80 57.958 -7.911 -1.513 1.00 0.00 H new ATOM 0 HB2 ALA B 80 57.475 -6.214 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA B 80 56.541 -7.263 -0.652 1.00 0.00 H new ATOM 1963 N LYS B 81 56.436 -10.023 -3.136 1.00 0.00 N ATOM 1964 CA LYS B 81 56.068 -11.428 -3.023 1.00 0.00 C ATOM 1965 C LYS B 81 56.339 -11.941 -1.612 1.00 0.00 C ATOM 1966 O LYS B 81 57.307 -11.538 -0.969 1.00 0.00 O ATOM 1967 CB LYS B 81 56.868 -12.256 -4.031 1.00 0.00 C ATOM 1968 CG LYS B 81 56.510 -11.812 -5.450 1.00 0.00 C ATOM 1969 CD LYS B 81 57.327 -12.624 -6.460 1.00 0.00 C ATOM 1970 CE LYS B 81 56.981 -12.177 -7.881 1.00 0.00 C ATOM 1971 NZ LYS B 81 57.797 -12.952 -8.861 1.00 0.00 N ATOM 0 H LYS B 81 57.266 -9.846 -3.702 1.00 0.00 H new ATOM 0 HA LYS B 81 55.003 -11.525 -3.234 1.00 0.00 H new ATOM 0 HB2 LYS B 81 57.936 -12.128 -3.857 1.00 0.00 H new ATOM 0 HB3 LYS B 81 56.649 -13.316 -3.903 1.00 0.00 H new ATOM 0 HG2 LYS B 81 55.444 -11.955 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS B 81 56.714 -10.748 -5.572 1.00 0.00 H new ATOM 0 HD2 LYS B 81 58.392 -12.487 -6.275 1.00 0.00 H new ATOM 0 HD3 LYS B 81 57.117 -13.687 -6.342 1.00 0.00 H new ATOM 0 HE2 LYS B 81 55.919 -12.331 -8.073 1.00 0.00 H new ATOM 0 HE3 LYS B 81 57.174 -11.110 -7.995 1.00 0.00 H new ATOM 0 HZ1 LYS B 81 57.561 -12.647 -9.827 1.00 0.00 H new ATOM 0 HZ2 LYS B 81 58.807 -12.783 -8.682 1.00 0.00 H new ATOM 0 HZ3 LYS B 81 57.592 -13.966 -8.758 1.00 0.00 H new ATOM 1985 N LEU B 82 55.473 -12.827 -1.141 1.00 0.00 N ATOM 1986 CA LEU B 82 55.620 -13.391 0.196 1.00 0.00 C ATOM 1987 C LEU B 82 56.631 -14.532 0.191 1.00 0.00 C ATOM 1988 O LEU B 82 56.860 -15.170 -0.836 1.00 0.00 O ATOM 1989 CB LEU B 82 54.270 -13.903 0.706 1.00 0.00 C ATOM 1990 CG LEU B 82 53.460 -12.735 1.275 1.00 0.00 C ATOM 1991 CD1 LEU B 82 52.772 -11.984 0.133 1.00 0.00 C ATOM 1992 CD2 LEU B 82 52.401 -13.272 2.240 1.00 0.00 C ATOM 0 H LEU B 82 54.665 -13.170 -1.660 1.00 0.00 H new ATOM 0 HA LEU B 82 55.981 -12.605 0.859 1.00 0.00 H new ATOM 0 HB2 LEU B 82 53.720 -14.379 -0.106 1.00 0.00 H new ATOM 0 HB3 LEU B 82 54.424 -14.661 1.474 1.00 0.00 H new ATOM 0 HG LEU B 82 54.127 -12.056 1.806 1.00 0.00 H new ATOM 0 HD11 LEU B 82 52.196 -11.153 0.539 1.00 0.00 H new ATOM 0 HD12 LEU B 82 53.525 -11.601 -0.556 1.00 0.00 H new ATOM 0 HD13 LEU B 82 52.105 -12.662 -0.399 1.00 0.00 H new ATOM 0 HD21 LEU B 82 51.824 -12.441 2.646 1.00 0.00 H new ATOM 0 HD22 LEU B 82 51.735 -13.951 1.708 1.00 0.00 H new ATOM 0 HD23 LEU B 82 52.889 -13.807 3.055 1.00 0.00 H new