USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 547 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 Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 23 HIS : no HD1:sc= -0.288 K(o=-0.29,f=-1.4!) USER MOD Single : A 26 ASN : amide:sc= -3.72 K(o=-3.7,f=-4.2!) USER MOD Single : A 29 GLN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0365 X(o=-0.036,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.898 K(o=-0.9,f=-5.5!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 170:sc= -3.79! USER MOD Single : A 61 ASN : amide:sc= -0.328 K(o=-0.33,f=-2.4!) USER MOD Single : A 65 TYR OH : rot 154:sc= 0.653 USER MOD Single : A 66 SER OG : rot 90:sc= 1.11 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot -30:sc= -2.01! USER MOD Single : A 85 ASN : amide:sc= -5.32! C(o=-5.3!,f=-12!) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.105 K(o=-0.11,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 312 N THR A 21 12.397 36.960 36.030 1.00 0.00 N ATOM 313 CA THR A 21 12.470 38.392 36.260 1.00 0.00 C ATOM 314 C THR A 21 12.891 39.118 34.981 1.00 0.00 C ATOM 315 O THR A 21 12.479 40.253 34.743 1.00 0.00 O ATOM 316 CB THR A 21 13.420 38.634 37.436 1.00 0.00 C ATOM 317 OG1 THR A 21 12.551 38.913 38.530 1.00 0.00 O ATOM 318 CG2 THR A 21 14.239 39.916 37.272 1.00 0.00 C ATOM 0 HA THR A 21 11.494 38.800 36.521 1.00 0.00 H new ATOM 0 HB THR A 21 14.095 37.784 37.540 1.00 0.00 H new ATOM 0 HG1 THR A 21 13.083 39.081 39.336 1.00 0.00 H new ATOM 0 HG21 THR A 21 14.896 40.041 38.133 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.839 39.851 36.364 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.566 40.771 37.202 1.00 0.00 H new ATOM 326 N HIS A 22 13.704 38.433 34.190 1.00 0.00 N ATOM 327 CA HIS A 22 14.184 38.998 32.941 1.00 0.00 C ATOM 328 C HIS A 22 12.995 39.333 32.038 1.00 0.00 C ATOM 329 O HIS A 22 12.891 40.448 31.531 1.00 0.00 O ATOM 330 CB HIS A 22 15.191 38.060 32.271 1.00 0.00 C ATOM 331 CG HIS A 22 16.623 38.528 32.365 1.00 0.00 C ATOM 332 ND1 HIS A 22 17.500 38.072 33.334 1.00 0.00 N ATOM 333 CD2 HIS A 22 17.322 39.416 31.601 1.00 0.00 C ATOM 334 CE1 HIS A 22 18.670 38.665 33.152 1.00 0.00 C ATOM 335 NE2 HIS A 22 18.558 39.499 32.077 1.00 0.00 N ATOM 0 H HIS A 22 14.042 37.492 34.390 1.00 0.00 H new ATOM 0 HA HIS A 22 14.718 39.927 33.140 1.00 0.00 H new ATOM 0 HB2 HIS A 22 15.111 37.073 32.727 1.00 0.00 H new ATOM 0 HB3 HIS A 22 14.924 37.948 31.220 1.00 0.00 H new ATOM 0 HD2 HIS A 22 16.935 39.960 30.752 1.00 0.00 H new ATOM 0 HE1 HIS A 22 19.557 38.515 33.749 1.00 0.00 H new ATOM 0 HE2 HIS A 22 19.301 40.088 31.702 1.00 0.00 H new ATOM 343 N HIS A 23 12.128 38.346 31.865 1.00 0.00 N ATOM 344 CA HIS A 23 10.950 38.522 31.032 1.00 0.00 C ATOM 345 C HIS A 23 10.100 39.670 31.582 1.00 0.00 C ATOM 346 O HIS A 23 9.585 40.485 30.818 1.00 0.00 O ATOM 347 CB HIS A 23 10.170 37.211 30.912 1.00 0.00 C ATOM 348 CG HIS A 23 10.853 36.166 30.064 1.00 0.00 C ATOM 349 ND1 HIS A 23 10.529 34.822 30.126 1.00 0.00 N ATOM 350 CD2 HIS A 23 11.843 36.281 29.133 1.00 0.00 C ATOM 351 CE1 HIS A 23 11.297 34.167 29.267 1.00 0.00 C ATOM 352 NE2 HIS A 23 12.112 35.073 28.653 1.00 0.00 N ATOM 0 H HIS A 23 12.218 37.422 32.287 1.00 0.00 H new ATOM 0 HA HIS A 23 11.252 38.792 30.020 1.00 0.00 H new ATOM 0 HB2 HIS A 23 10.007 36.804 31.910 1.00 0.00 H new ATOM 0 HB3 HIS A 23 9.188 37.422 30.489 1.00 0.00 H new ATOM 0 HD2 HIS A 23 12.327 37.200 28.836 1.00 0.00 H new ATOM 0 HE1 HIS A 23 11.281 33.103 29.085 1.00 0.00 H new ATOM 0 HE2 HIS A 23 12.812 34.858 27.943 1.00 0.00 H new ATOM 360 N TRP A 24 9.980 39.696 32.901 1.00 0.00 N ATOM 361 CA TRP A 24 9.202 40.730 33.561 1.00 0.00 C ATOM 362 C TRP A 24 9.930 42.063 33.372 1.00 0.00 C ATOM 363 O TRP A 24 9.304 43.079 33.072 1.00 0.00 O ATOM 364 CB TRP A 24 8.963 40.382 35.031 1.00 0.00 C ATOM 365 CG TRP A 24 8.420 41.544 35.865 1.00 0.00 C ATOM 366 CD1 TRP A 24 8.993 42.143 36.919 1.00 0.00 C ATOM 367 CD2 TRP A 24 7.164 42.228 35.671 1.00 0.00 C ATOM 368 NE1 TRP A 24 8.201 43.158 37.416 1.00 0.00 N ATOM 369 CE2 TRP A 24 7.053 43.212 36.634 1.00 0.00 C ATOM 370 CE3 TRP A 24 6.154 42.022 34.715 1.00 0.00 C ATOM 371 CZ2 TRP A 24 5.950 44.067 36.733 1.00 0.00 C ATOM 372 CZ3 TRP A 24 5.057 42.885 34.829 1.00 0.00 C ATOM 373 CH2 TRP A 24 4.931 43.880 35.790 1.00 0.00 C ATOM 0 H TRP A 24 10.409 39.017 33.530 1.00 0.00 H new ATOM 0 HA TRP A 24 8.210 40.809 33.116 1.00 0.00 H new ATOM 0 HB2 TRP A 24 8.262 39.549 35.087 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.900 40.040 35.470 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.954 41.866 37.328 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.418 43.759 38.211 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.219 41.259 33.953 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.888 44.830 37.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.251 42.769 34.119 1.00 0.00 H new ATOM 0 HH2 TRP A 24 4.052 44.507 35.810 1.00 0.00 H new ATOM 384 N LEU A 25 11.241 42.016 33.555 1.00 0.00 N ATOM 385 CA LEU A 25 12.060 43.206 33.410 1.00 0.00 C ATOM 386 C LEU A 25 11.783 43.848 32.048 1.00 0.00 C ATOM 387 O LEU A 25 11.875 45.065 31.901 1.00 0.00 O ATOM 388 CB LEU A 25 13.535 42.873 33.643 1.00 0.00 C ATOM 389 CG LEU A 25 14.423 44.038 34.090 1.00 0.00 C ATOM 390 CD1 LEU A 25 13.680 44.949 35.067 1.00 0.00 C ATOM 391 CD2 LEU A 25 15.743 43.528 34.670 1.00 0.00 C ATOM 0 H LEU A 25 11.756 41.171 33.803 1.00 0.00 H new ATOM 0 HA LEU A 25 11.799 43.943 34.170 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.595 42.087 34.395 1.00 0.00 H new ATOM 0 HB3 LEU A 25 13.945 42.463 32.720 1.00 0.00 H new ATOM 0 HG LEU A 25 14.668 44.639 33.214 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.333 45.768 35.369 1.00 0.00 H new ATOM 0 HD12 LEU A 25 12.791 45.353 34.583 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.386 44.376 35.947 1.00 0.00 H new ATOM 0 HD21 LEU A 25 16.356 44.375 34.980 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.540 42.892 35.532 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.275 42.953 33.912 1.00 0.00 H new ATOM 403 N ASN A 26 11.448 42.998 31.087 1.00 0.00 N ATOM 404 CA ASN A 26 11.156 43.466 29.743 1.00 0.00 C ATOM 405 C ASN A 26 9.859 44.277 29.760 1.00 0.00 C ATOM 406 O ASN A 26 9.595 45.053 28.843 1.00 0.00 O ATOM 407 CB ASN A 26 10.968 42.293 28.780 1.00 0.00 C ATOM 408 CG ASN A 26 10.812 42.786 27.340 1.00 0.00 C ATOM 409 OD1 ASN A 26 9.891 42.420 26.627 1.00 0.00 O ATOM 410 ND2 ASN A 26 11.761 43.633 26.952 1.00 0.00 N ATOM 0 H ASN A 26 11.373 41.989 31.213 1.00 0.00 H new ATOM 0 HA ASN A 26 11.995 44.076 29.409 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.824 41.621 28.848 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.088 41.718 29.069 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.746 44.018 26.007 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.504 43.898 27.599 1.00 0.00 H new ATOM 417 N PHE A 27 9.082 44.069 30.814 1.00 0.00 N ATOM 418 CA PHE A 27 7.819 44.772 30.964 1.00 0.00 C ATOM 419 C PHE A 27 7.974 45.991 31.874 1.00 0.00 C ATOM 420 O PHE A 27 7.307 47.005 31.677 1.00 0.00 O ATOM 421 CB PHE A 27 6.836 43.792 31.606 1.00 0.00 C ATOM 422 CG PHE A 27 5.368 44.085 31.288 1.00 0.00 C ATOM 423 CD1 PHE A 27 5.022 45.257 30.693 1.00 0.00 C ATOM 424 CD2 PHE A 27 4.409 43.172 31.602 1.00 0.00 C ATOM 425 CE1 PHE A 27 3.660 45.529 30.399 1.00 0.00 C ATOM 426 CE2 PHE A 27 3.048 43.444 31.307 1.00 0.00 C ATOM 427 CZ PHE A 27 2.702 44.617 30.712 1.00 0.00 C ATOM 0 H PHE A 27 9.303 43.423 31.572 1.00 0.00 H new ATOM 0 HA PHE A 27 7.470 45.121 29.992 1.00 0.00 H new ATOM 0 HB2 PHE A 27 7.075 42.782 31.272 1.00 0.00 H new ATOM 0 HB3 PHE A 27 6.974 43.811 32.687 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.783 45.981 30.444 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.684 42.241 32.075 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.385 46.461 29.927 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.287 42.719 31.555 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.666 44.824 30.488 1.00 0.00 H new ATOM 437 N LEU A 28 8.857 45.852 32.852 1.00 0.00 N ATOM 438 CA LEU A 28 9.108 46.929 33.793 1.00 0.00 C ATOM 439 C LEU A 28 9.993 47.986 33.129 1.00 0.00 C ATOM 440 O LEU A 28 9.944 49.161 33.493 1.00 0.00 O ATOM 441 CB LEU A 28 9.685 46.378 35.099 1.00 0.00 C ATOM 442 CG LEU A 28 9.519 47.265 36.334 1.00 0.00 C ATOM 443 CD1 LEU A 28 8.053 47.654 36.536 1.00 0.00 C ATOM 444 CD2 LEU A 28 10.110 46.594 37.574 1.00 0.00 C ATOM 0 H LEU A 28 9.408 45.009 33.013 1.00 0.00 H new ATOM 0 HA LEU A 28 8.174 47.420 34.066 1.00 0.00 H new ATOM 0 HB2 LEU A 28 9.216 45.415 35.302 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.749 46.190 34.952 1.00 0.00 H new ATOM 0 HG LEU A 28 10.077 48.187 36.170 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.962 48.284 37.421 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.698 48.201 35.663 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.453 46.754 36.669 1.00 0.00 H new ATOM 0 HD21 LEU A 28 9.979 47.246 38.438 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.601 45.647 37.753 1.00 0.00 H new ATOM 0 HD23 LEU A 28 11.173 46.410 37.417 1.00 0.00 H new ATOM 456 N GLN A 29 10.781 47.532 32.166 1.00 0.00 N ATOM 457 CA GLN A 29 11.675 48.423 31.447 1.00 0.00 C ATOM 458 C GLN A 29 10.872 49.376 30.557 1.00 0.00 C ATOM 459 O GLN A 29 10.999 50.594 30.674 1.00 0.00 O ATOM 460 CB GLN A 29 12.693 47.632 30.624 1.00 0.00 C ATOM 461 CG GLN A 29 14.038 47.548 31.350 1.00 0.00 C ATOM 462 CD GLN A 29 15.124 46.990 30.428 1.00 0.00 C ATOM 463 OE1 GLN A 29 15.659 47.674 29.573 1.00 0.00 O ATOM 464 NE2 GLN A 29 15.418 45.712 30.650 1.00 0.00 N ATOM 0 H GLN A 29 10.819 46.558 31.867 1.00 0.00 H new ATOM 0 HA GLN A 29 12.228 49.016 32.175 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.313 46.628 30.437 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.829 48.107 29.653 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.328 48.538 31.702 1.00 0.00 H new ATOM 0 HG3 GLN A 29 13.941 46.912 32.230 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.931 45.197 31.383 1.00 0.00 H new ATOM 0 HE22 GLN A 29 16.130 45.247 30.087 1.00 0.00 H new ATOM 473 N ALA A 30 10.065 48.785 29.689 1.00 0.00 N ATOM 474 CA ALA A 30 9.242 49.565 28.781 1.00 0.00 C ATOM 475 C ALA A 30 8.401 50.557 29.586 1.00 0.00 C ATOM 476 O ALA A 30 8.174 51.684 29.148 1.00 0.00 O ATOM 477 CB ALA A 30 8.383 48.625 27.934 1.00 0.00 C ATOM 0 H ALA A 30 9.963 47.774 29.595 1.00 0.00 H new ATOM 0 HA ALA A 30 9.866 50.141 28.097 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.766 49.211 27.253 1.00 0.00 H new ATOM 0 HB2 ALA A 30 9.029 47.961 27.359 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.742 48.032 28.586 1.00 0.00 H new ATOM 483 N ALA A 31 7.961 50.102 30.750 1.00 0.00 N ATOM 484 CA ALA A 31 7.149 50.936 31.621 1.00 0.00 C ATOM 485 C ALA A 31 8.017 52.050 32.207 1.00 0.00 C ATOM 486 O ALA A 31 7.515 53.121 32.546 1.00 0.00 O ATOM 487 CB ALA A 31 6.505 50.067 32.704 1.00 0.00 C ATOM 0 H ALA A 31 8.151 49.167 31.110 1.00 0.00 H new ATOM 0 HA ALA A 31 6.343 51.408 31.059 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.896 50.692 33.357 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.876 49.310 32.236 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.284 49.580 33.291 1.00 0.00 H new ATOM 493 N TYR A 32 9.306 51.761 32.309 1.00 0.00 N ATOM 494 CA TYR A 32 10.249 52.725 32.850 1.00 0.00 C ATOM 495 C TYR A 32 10.787 53.642 31.749 1.00 0.00 C ATOM 496 O TYR A 32 11.330 54.708 32.034 1.00 0.00 O ATOM 497 CB TYR A 32 11.406 51.907 33.426 1.00 0.00 C ATOM 498 CG TYR A 32 11.554 52.023 34.944 1.00 0.00 C ATOM 499 CD1 TYR A 32 10.449 51.882 35.759 1.00 0.00 C ATOM 500 CD2 TYR A 32 12.794 52.268 35.500 1.00 0.00 C ATOM 501 CE1 TYR A 32 10.588 51.991 37.188 1.00 0.00 C ATOM 502 CE2 TYR A 32 12.933 52.377 36.930 1.00 0.00 C ATOM 503 CZ TYR A 32 11.823 52.233 37.703 1.00 0.00 C ATOM 504 OH TYR A 32 11.955 52.336 39.053 1.00 0.00 O ATOM 0 H TYR A 32 9.720 50.873 32.026 1.00 0.00 H new ATOM 0 HA TYR A 32 9.768 53.353 33.600 1.00 0.00 H new ATOM 0 HB2 TYR A 32 11.262 50.859 33.164 1.00 0.00 H new ATOM 0 HB3 TYR A 32 12.335 52.229 32.955 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.479 51.690 35.324 1.00 0.00 H new ATOM 0 HD2 TYR A 32 13.659 52.378 34.863 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.731 51.883 37.836 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.897 52.569 37.378 1.00 0.00 H new ATOM 0 HH TYR A 32 12.893 52.509 39.278 1.00 0.00 H new ATOM 514 N ARG A 33 10.618 53.193 30.514 1.00 0.00 N ATOM 515 CA ARG A 33 11.079 53.959 29.368 1.00 0.00 C ATOM 516 C ARG A 33 10.013 54.969 28.942 1.00 0.00 C ATOM 517 O ARG A 33 10.331 55.994 28.341 1.00 0.00 O ATOM 518 CB ARG A 33 11.405 53.042 28.188 1.00 0.00 C ATOM 519 CG ARG A 33 12.847 53.243 27.718 1.00 0.00 C ATOM 520 CD ARG A 33 13.451 51.927 27.224 1.00 0.00 C ATOM 521 NE ARG A 33 13.345 51.844 25.749 1.00 0.00 N ATOM 522 CZ ARG A 33 13.393 50.689 25.051 1.00 0.00 C ATOM 523 NH1 ARG A 33 13.546 49.509 25.689 1.00 0.00 N ATOM 524 NH2 ARG A 33 13.289 50.732 23.736 1.00 0.00 N ATOM 0 H ARG A 33 10.168 52.308 30.282 1.00 0.00 H new ATOM 0 HA ARG A 33 11.986 54.486 29.664 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.255 52.002 28.479 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.719 53.245 27.365 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.873 53.982 26.917 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.448 53.639 28.537 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.496 51.861 27.526 1.00 0.00 H new ATOM 0 HD3 ARG A 33 12.933 51.085 27.682 1.00 0.00 H new ATOM 0 HE ARG A 33 13.229 52.713 25.228 1.00 0.00 H new ATOM 0 HH11 ARG A 33 13.626 49.486 26.706 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.581 48.641 25.154 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.174 51.628 23.263 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.323 49.869 23.193 1.00 0.00 H new ATOM 537 N LEU A 34 8.771 54.646 29.270 1.00 0.00 N ATOM 538 CA LEU A 34 7.657 55.513 28.927 1.00 0.00 C ATOM 539 C LEU A 34 7.874 56.889 29.562 1.00 0.00 C ATOM 540 O LEU A 34 7.749 57.912 28.890 1.00 0.00 O ATOM 541 CB LEU A 34 6.330 54.859 29.317 1.00 0.00 C ATOM 542 CG LEU A 34 5.779 53.823 28.336 1.00 0.00 C ATOM 543 CD1 LEU A 34 4.587 53.076 28.939 1.00 0.00 C ATOM 544 CD2 LEU A 34 5.432 54.469 26.993 1.00 0.00 C ATOM 0 H LEU A 34 8.511 53.796 29.770 1.00 0.00 H new ATOM 0 HA LEU A 34 7.608 55.662 27.848 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.455 54.380 30.288 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.584 55.644 29.443 1.00 0.00 H new ATOM 0 HG LEU A 34 6.558 53.085 28.146 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.214 52.345 28.221 1.00 0.00 H new ATOM 0 HD12 LEU A 34 4.901 52.563 29.848 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.795 53.786 29.178 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.043 53.710 26.314 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.678 55.242 27.145 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.328 54.916 26.562 1.00 0.00 H new ATOM 665 N PHE A 43 -0.081 50.609 37.645 1.00 0.00 N ATOM 666 CA PHE A 43 0.477 49.303 37.953 1.00 0.00 C ATOM 667 C PHE A 43 -0.628 48.296 38.274 1.00 0.00 C ATOM 668 O PHE A 43 -0.401 47.087 38.235 1.00 0.00 O ATOM 669 CB PHE A 43 1.367 49.477 39.186 1.00 0.00 C ATOM 670 CG PHE A 43 2.776 49.980 38.871 1.00 0.00 C ATOM 671 CD1 PHE A 43 3.460 49.467 37.813 1.00 0.00 C ATOM 672 CD2 PHE A 43 3.347 50.939 39.648 1.00 0.00 C ATOM 673 CE1 PHE A 43 4.770 49.933 37.520 1.00 0.00 C ATOM 674 CE2 PHE A 43 4.656 51.406 39.355 1.00 0.00 C ATOM 675 CZ PHE A 43 5.339 50.893 38.298 1.00 0.00 C ATOM 0 HA PHE A 43 1.036 48.926 37.097 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.888 50.176 39.871 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.441 48.522 39.705 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.007 48.705 37.196 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.805 51.346 40.489 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.313 49.525 36.680 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.108 52.168 39.972 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.334 51.248 38.075 1.00 0.00 H new ATOM 685 N GLN A 44 -1.800 48.830 38.585 1.00 0.00 N ATOM 686 CA GLN A 44 -2.941 47.992 38.913 1.00 0.00 C ATOM 687 C GLN A 44 -3.353 47.158 37.699 1.00 0.00 C ATOM 688 O GLN A 44 -3.475 45.938 37.791 1.00 0.00 O ATOM 689 CB GLN A 44 -4.112 48.835 39.423 1.00 0.00 C ATOM 690 CG GLN A 44 -4.531 48.400 40.827 1.00 0.00 C ATOM 691 CD GLN A 44 -5.277 47.065 40.788 1.00 0.00 C ATOM 692 OE1 GLN A 44 -4.815 46.051 41.283 1.00 0.00 O ATOM 693 NE2 GLN A 44 -6.456 47.122 40.173 1.00 0.00 N ATOM 0 H GLN A 44 -1.984 49.833 38.617 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.650 47.312 39.714 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.829 49.888 39.434 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.957 48.739 38.742 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -3.649 48.310 41.462 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.168 49.164 41.273 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -6.784 48.004 39.780 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.031 46.283 40.095 1.00 0.00 H new ATOM 702 N GLN A 45 -3.558 47.851 36.587 1.00 0.00 N ATOM 703 CA GLN A 45 -3.955 47.188 35.356 1.00 0.00 C ATOM 704 C GLN A 45 -2.874 46.201 34.912 1.00 0.00 C ATOM 705 O GLN A 45 -3.105 45.377 34.029 1.00 0.00 O ATOM 706 CB GLN A 45 -4.249 48.210 34.255 1.00 0.00 C ATOM 707 CG GLN A 45 -5.457 47.781 33.419 1.00 0.00 C ATOM 708 CD GLN A 45 -6.762 48.276 34.046 1.00 0.00 C ATOM 709 OE1 GLN A 45 -7.585 47.507 34.517 1.00 0.00 O ATOM 710 NE2 GLN A 45 -6.904 49.598 34.027 1.00 0.00 N ATOM 0 H GLN A 45 -3.457 48.863 36.513 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.872 46.631 35.545 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.439 49.186 34.701 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.376 48.318 33.611 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.363 48.176 32.408 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.479 46.694 33.336 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.176 50.183 33.617 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -7.741 50.027 34.422 1.00 0.00 H new ATOM 719 N LEU A 46 -1.716 46.317 35.546 1.00 0.00 N ATOM 720 CA LEU A 46 -0.598 45.444 35.228 1.00 0.00 C ATOM 721 C LEU A 46 -0.648 44.209 36.130 1.00 0.00 C ATOM 722 O LEU A 46 -0.652 43.080 35.643 1.00 0.00 O ATOM 723 CB LEU A 46 0.721 46.213 35.309 1.00 0.00 C ATOM 724 CG LEU A 46 1.587 46.195 34.047 1.00 0.00 C ATOM 725 CD1 LEU A 46 2.789 47.130 34.194 1.00 0.00 C ATOM 726 CD2 LEU A 46 2.009 44.768 33.691 1.00 0.00 C ATOM 0 H LEU A 46 -1.528 47.002 36.278 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.671 45.090 34.200 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.499 47.251 35.558 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.306 45.805 36.133 1.00 0.00 H new ATOM 0 HG LEU A 46 0.988 46.569 33.216 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.388 47.099 33.284 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.439 48.148 34.363 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.397 46.810 35.040 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.623 44.784 32.791 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.583 44.342 34.514 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.122 44.160 33.514 1.00 0.00 H new ATOM 738 N ARG A 47 -0.684 44.466 37.429 1.00 0.00 N ATOM 739 CA ARG A 47 -0.733 43.390 38.405 1.00 0.00 C ATOM 740 C ARG A 47 -1.944 42.492 38.143 1.00 0.00 C ATOM 741 O ARG A 47 -1.944 41.320 38.517 1.00 0.00 O ATOM 742 CB ARG A 47 -0.813 43.941 39.829 1.00 0.00 C ATOM 743 CG ARG A 47 -0.171 42.976 40.828 1.00 0.00 C ATOM 744 CD ARG A 47 -0.970 42.922 42.131 1.00 0.00 C ATOM 745 NE ARG A 47 -0.188 42.223 43.175 1.00 0.00 N ATOM 746 CZ ARG A 47 0.948 42.706 43.721 1.00 0.00 C ATOM 747 NH1 ARG A 47 1.445 43.896 43.325 1.00 0.00 N ATOM 748 NH2 ARG A 47 1.565 41.996 44.648 1.00 0.00 N ATOM 0 H ARG A 47 -0.680 45.404 37.829 1.00 0.00 H new ATOM 0 HA ARG A 47 0.184 42.809 38.305 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.311 44.907 39.877 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.855 44.110 40.099 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.114 41.979 40.391 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.851 43.291 41.037 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -1.212 43.932 42.461 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.916 42.406 41.966 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.529 41.319 43.503 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.962 44.437 42.608 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.304 44.254 43.742 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.182 41.097 44.941 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.425 42.346 45.071 1.00 0.00 H new ATOM 761 N ARG A 48 -2.947 43.076 37.503 1.00 0.00 N ATOM 762 CA ARG A 48 -4.161 42.343 37.187 1.00 0.00 C ATOM 763 C ARG A 48 -3.987 41.564 35.881 1.00 0.00 C ATOM 764 O ARG A 48 -4.404 40.411 35.781 1.00 0.00 O ATOM 765 CB ARG A 48 -5.356 43.288 37.054 1.00 0.00 C ATOM 766 CG ARG A 48 -5.373 43.961 35.680 1.00 0.00 C ATOM 767 CD ARG A 48 -6.547 44.934 35.560 1.00 0.00 C ATOM 768 NE ARG A 48 -7.824 44.186 35.526 1.00 0.00 N ATOM 769 CZ ARG A 48 -8.398 43.719 34.397 1.00 0.00 C ATOM 770 NH1 ARG A 48 -7.812 43.919 33.198 1.00 0.00 N ATOM 771 NH2 ARG A 48 -9.541 43.064 34.484 1.00 0.00 N ATOM 0 H ARG A 48 -2.943 44.048 37.195 1.00 0.00 H new ATOM 0 HA ARG A 48 -4.351 41.648 38.005 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -6.282 42.732 37.202 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.312 44.048 37.834 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.436 44.495 35.521 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.444 43.202 34.901 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.544 45.626 36.402 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.443 45.533 34.655 1.00 0.00 H new ATOM 0 HE ARG A 48 -8.300 44.013 36.411 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -6.929 44.426 33.140 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -8.252 43.563 32.350 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -9.977 42.918 35.394 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.988 42.704 33.641 1.00 0.00 H new ATOM 784 N PHE A 49 -3.370 42.226 34.914 1.00 0.00 N ATOM 785 CA PHE A 49 -3.136 41.611 33.618 1.00 0.00 C ATOM 786 C PHE A 49 -2.267 40.359 33.755 1.00 0.00 C ATOM 787 O PHE A 49 -2.500 39.361 33.074 1.00 0.00 O ATOM 788 CB PHE A 49 -2.395 42.640 32.761 1.00 0.00 C ATOM 789 CG PHE A 49 -2.031 42.139 31.362 1.00 0.00 C ATOM 790 CD1 PHE A 49 -2.997 41.637 30.547 1.00 0.00 C ATOM 791 CD2 PHE A 49 -0.742 42.195 30.934 1.00 0.00 C ATOM 792 CE1 PHE A 49 -2.659 41.173 29.248 1.00 0.00 C ATOM 793 CE2 PHE A 49 -0.403 41.730 29.636 1.00 0.00 C ATOM 794 CZ PHE A 49 -1.369 41.229 28.820 1.00 0.00 C ATOM 0 H PHE A 49 -3.025 43.182 35.001 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.085 41.316 33.170 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.014 43.532 32.666 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -1.483 42.938 33.278 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.021 41.591 30.887 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.025 42.593 31.582 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -3.426 40.776 28.600 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.621 41.774 29.297 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.112 40.876 27.832 1.00 0.00 H new ATOM 804 N LEU A 50 -1.286 40.453 34.640 1.00 0.00 N ATOM 805 CA LEU A 50 -0.382 39.339 34.874 1.00 0.00 C ATOM 806 C LEU A 50 -1.136 38.217 35.589 1.00 0.00 C ATOM 807 O LEU A 50 -1.151 37.079 35.123 1.00 0.00 O ATOM 808 CB LEU A 50 0.868 39.813 35.619 1.00 0.00 C ATOM 809 CG LEU A 50 1.691 40.899 34.926 1.00 0.00 C ATOM 810 CD1 LEU A 50 2.499 41.707 35.943 1.00 0.00 C ATOM 811 CD2 LEU A 50 2.579 40.302 33.833 1.00 0.00 C ATOM 0 H LEU A 50 -1.097 41.282 35.203 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.026 38.931 33.928 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.564 40.184 36.598 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.513 38.951 35.791 1.00 0.00 H new ATOM 0 HG LEU A 50 1.003 41.590 34.439 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.075 42.473 35.424 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.821 42.182 36.652 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.177 41.043 36.479 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.153 41.096 33.356 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.261 39.576 34.275 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.956 39.808 33.088 1.00 0.00 H new ATOM 823 N LYS A 51 -1.744 38.577 36.710 1.00 0.00 N ATOM 824 CA LYS A 51 -2.499 37.613 37.494 1.00 0.00 C ATOM 825 C LYS A 51 -3.584 36.985 36.616 1.00 0.00 C ATOM 826 O LYS A 51 -4.002 35.853 36.855 1.00 0.00 O ATOM 827 CB LYS A 51 -3.042 38.267 38.767 1.00 0.00 C ATOM 828 CG LYS A 51 -2.414 37.640 40.014 1.00 0.00 C ATOM 829 CD LYS A 51 -1.199 38.446 40.480 1.00 0.00 C ATOM 830 CE LYS A 51 0.054 37.569 40.526 1.00 0.00 C ATOM 831 NZ LYS A 51 1.265 38.405 40.681 1.00 0.00 N ATOM 0 H LYS A 51 -1.729 39.522 37.094 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.851 36.803 37.829 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.833 39.337 38.749 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.125 38.154 38.805 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.153 37.594 40.814 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.114 36.615 39.798 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.035 39.286 39.806 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.392 38.863 41.468 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.018 36.865 41.355 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.126 36.979 39.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.107 37.795 40.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 1.340 39.060 39.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.201 38.949 41.565 1.00 0.00 H new ATOM 844 N LEU A 52 -4.006 37.746 35.617 1.00 0.00 N ATOM 845 CA LEU A 52 -5.033 37.277 34.702 1.00 0.00 C ATOM 846 C LEU A 52 -4.482 36.114 33.876 1.00 0.00 C ATOM 847 O LEU A 52 -5.079 35.039 33.837 1.00 0.00 O ATOM 848 CB LEU A 52 -5.564 38.436 33.855 1.00 0.00 C ATOM 849 CG LEU A 52 -6.413 38.046 32.642 1.00 0.00 C ATOM 850 CD1 LEU A 52 -7.313 39.204 32.208 1.00 0.00 C ATOM 851 CD2 LEU A 52 -5.533 37.542 31.496 1.00 0.00 C ATOM 0 H LEU A 52 -3.656 38.684 35.421 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.892 36.896 35.255 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.159 39.086 34.496 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.715 39.024 33.506 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.066 37.223 32.932 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.905 38.901 31.345 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.979 39.475 33.028 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.697 40.063 31.942 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.161 37.272 30.647 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.838 38.327 31.198 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.972 36.667 31.825 1.00 0.00 H new ATOM 863 N ALA A 53 -3.349 36.367 33.238 1.00 0.00 N ATOM 864 CA ALA A 53 -2.710 35.353 32.416 1.00 0.00 C ATOM 865 C ALA A 53 -2.462 34.102 33.259 1.00 0.00 C ATOM 866 O ALA A 53 -2.494 32.985 32.742 1.00 0.00 O ATOM 867 CB ALA A 53 -1.420 35.918 31.818 1.00 0.00 C ATOM 0 H ALA A 53 -2.857 37.260 33.274 1.00 0.00 H new ATOM 0 HA ALA A 53 -3.357 35.069 31.586 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.941 35.157 31.202 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.654 36.788 31.204 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.745 36.212 32.622 1.00 0.00 H new ATOM 873 N LEU A 54 -2.221 34.328 34.541 1.00 0.00 N ATOM 874 CA LEU A 54 -1.967 33.232 35.461 1.00 0.00 C ATOM 875 C LEU A 54 -3.204 32.335 35.532 1.00 0.00 C ATOM 876 O LEU A 54 -3.139 31.220 36.046 1.00 0.00 O ATOM 877 CB LEU A 54 -1.517 33.767 36.821 1.00 0.00 C ATOM 878 CG LEU A 54 -0.228 33.165 37.386 1.00 0.00 C ATOM 879 CD1 LEU A 54 0.880 33.156 36.331 1.00 0.00 C ATOM 880 CD2 LEU A 54 0.202 33.889 38.663 1.00 0.00 C ATOM 0 H LEU A 54 -2.196 35.255 34.966 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.145 32.614 35.100 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.385 34.846 36.739 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.319 33.597 37.539 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.425 32.127 37.656 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.785 32.723 36.758 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.562 32.561 35.475 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.083 34.177 36.008 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.120 33.441 39.043 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.376 34.942 38.443 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.583 33.800 39.414 1.00 0.00 H new ATOM 892 N LYS A 55 -4.305 32.856 35.008 1.00 0.00 N ATOM 893 CA LYS A 55 -5.556 32.116 35.006 1.00 0.00 C ATOM 894 C LYS A 55 -5.476 30.992 33.971 1.00 0.00 C ATOM 895 O LYS A 55 -6.396 30.183 33.857 1.00 0.00 O ATOM 896 CB LYS A 55 -6.738 33.064 34.794 1.00 0.00 C ATOM 897 CG LYS A 55 -6.998 33.292 33.304 1.00 0.00 C ATOM 898 CD LYS A 55 -8.170 32.438 32.815 1.00 0.00 C ATOM 899 CE LYS A 55 -8.660 32.913 31.445 1.00 0.00 C ATOM 900 NZ LYS A 55 -9.584 34.059 31.593 1.00 0.00 N ATOM 0 H LYS A 55 -4.356 33.781 34.582 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.723 31.646 35.975 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -7.630 32.649 35.263 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.536 34.018 35.282 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.212 34.346 33.126 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.102 33.048 32.733 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -7.863 31.394 32.754 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.987 32.488 33.535 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -7.809 33.202 30.828 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.165 32.096 30.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.907 34.368 30.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.405 33.772 32.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -9.091 34.844 32.065 1.00 0.00 H new ATOM 913 N THR A 56 -4.368 30.977 33.245 1.00 0.00 N ATOM 914 CA THR A 56 -4.157 29.966 32.223 1.00 0.00 C ATOM 915 C THR A 56 -2.664 29.676 32.061 1.00 0.00 C ATOM 916 O THR A 56 -1.962 30.391 31.347 1.00 0.00 O ATOM 917 CB THR A 56 -4.825 30.447 30.935 1.00 0.00 C ATOM 918 OG1 THR A 56 -4.703 29.340 30.045 1.00 0.00 O ATOM 919 CG2 THR A 56 -4.038 31.566 30.250 1.00 0.00 C ATOM 0 H THR A 56 -3.607 31.649 33.344 1.00 0.00 H new ATOM 0 HA THR A 56 -4.612 29.017 32.506 1.00 0.00 H new ATOM 0 HB THR A 56 -5.833 30.797 31.158 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.247 29.501 29.246 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.556 31.871 29.341 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.956 32.419 30.924 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.041 31.207 29.997 1.00 0.00 H new ATOM 927 N PRO A 57 -2.209 28.597 32.753 1.00 0.00 N ATOM 928 CA PRO A 57 -0.811 28.204 32.693 1.00 0.00 C ATOM 929 C PRO A 57 -0.489 27.527 31.359 1.00 0.00 C ATOM 930 O PRO A 57 -0.210 26.330 31.318 1.00 0.00 O ATOM 931 CB PRO A 57 -0.608 27.287 33.888 1.00 0.00 C ATOM 932 CG PRO A 57 -1.998 26.831 34.304 1.00 0.00 C ATOM 933 CD PRO A 57 -3.009 27.726 33.609 1.00 0.00 C ATOM 0 HA PRO A 57 -0.132 29.056 32.742 1.00 0.00 H new ATOM 0 HB2 PRO A 57 0.020 26.436 33.625 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.109 27.812 34.703 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.157 25.789 34.027 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -2.113 26.894 35.386 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.719 27.141 33.025 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.588 28.303 34.330 1.00 0.00 H new ATOM 941 N ILE A 58 -0.539 28.322 30.301 1.00 0.00 N ATOM 942 CA ILE A 58 -0.257 27.816 28.969 1.00 0.00 C ATOM 943 C ILE A 58 0.944 28.564 28.387 1.00 0.00 C ATOM 944 O ILE A 58 1.619 28.061 27.490 1.00 0.00 O ATOM 945 CB ILE A 58 -1.509 27.885 28.093 1.00 0.00 C ATOM 946 CG1 ILE A 58 -1.153 28.285 26.659 1.00 0.00 C ATOM 947 CG2 ILE A 58 -2.555 28.817 28.704 1.00 0.00 C ATOM 948 CD1 ILE A 58 -0.298 27.209 25.986 1.00 0.00 C ATOM 0 H ILE A 58 -0.771 29.315 30.339 1.00 0.00 H new ATOM 0 HA ILE A 58 0.015 26.761 29.012 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.951 26.890 28.050 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.066 28.442 26.084 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.614 29.232 26.665 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.435 28.848 28.061 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.839 28.449 29.690 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -2.139 29.820 28.797 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.059 27.518 24.968 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.625 27.072 26.550 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.850 26.269 25.960 1.00 0.00 H new ATOM 960 N TRP A 59 1.175 29.754 28.921 1.00 0.00 N ATOM 961 CA TRP A 59 2.282 30.577 28.466 1.00 0.00 C ATOM 962 C TRP A 59 3.475 30.317 29.388 1.00 0.00 C ATOM 963 O TRP A 59 4.622 30.535 29.001 1.00 0.00 O ATOM 964 CB TRP A 59 1.881 32.053 28.410 1.00 0.00 C ATOM 965 CG TRP A 59 1.087 32.529 29.629 1.00 0.00 C ATOM 966 CD1 TRP A 59 -0.212 32.333 29.895 1.00 0.00 C ATOM 967 CD2 TRP A 59 1.597 33.294 30.741 1.00 0.00 C ATOM 968 NE1 TRP A 59 -0.575 32.913 31.094 1.00 0.00 N ATOM 969 CE2 TRP A 59 0.559 33.516 31.625 1.00 0.00 C ATOM 970 CE3 TRP A 59 2.890 33.782 30.994 1.00 0.00 C ATOM 971 CZ2 TRP A 59 0.709 34.230 32.819 1.00 0.00 C ATOM 972 CZ3 TRP A 59 3.023 34.495 32.192 1.00 0.00 C ATOM 973 CH2 TRP A 59 1.990 34.727 33.091 1.00 0.00 C ATOM 0 H TRP A 59 0.614 30.168 29.665 1.00 0.00 H new ATOM 0 HA TRP A 59 2.565 30.313 27.447 1.00 0.00 H new ATOM 0 HB2 TRP A 59 2.781 32.660 28.316 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.286 32.224 27.513 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -0.889 31.790 29.252 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -1.505 32.901 31.513 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.716 33.620 30.318 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -0.118 34.389 33.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 3.998 34.893 32.434 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.174 35.288 33.995 1.00 0.00 H new ATOM 984 N LEU A 60 3.164 29.852 30.589 1.00 0.00 N ATOM 985 CA LEU A 60 4.196 29.559 31.569 1.00 0.00 C ATOM 986 C LEU A 60 5.002 28.344 31.105 1.00 0.00 C ATOM 987 O LEU A 60 6.225 28.413 30.989 1.00 0.00 O ATOM 988 CB LEU A 60 3.583 29.397 32.961 1.00 0.00 C ATOM 989 CG LEU A 60 4.019 30.421 34.010 1.00 0.00 C ATOM 990 CD1 LEU A 60 4.186 31.808 33.386 1.00 0.00 C ATOM 991 CD2 LEU A 60 3.053 30.438 35.196 1.00 0.00 C ATOM 0 H LEU A 60 2.212 29.671 30.906 1.00 0.00 H new ATOM 0 HA LEU A 60 4.893 30.393 31.650 1.00 0.00 H new ATOM 0 HB2 LEU A 60 2.498 29.443 32.866 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.828 28.401 33.330 1.00 0.00 H new ATOM 0 HG LEU A 60 4.994 30.121 34.394 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.496 32.517 34.153 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.943 31.766 32.603 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.237 32.130 32.956 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.387 31.175 35.927 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.054 30.699 34.848 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.029 29.452 35.660 1.00 0.00 H new ATOM 1003 N ASN A 61 4.284 27.260 30.853 1.00 0.00 N ATOM 1004 CA ASN A 61 4.917 26.031 30.405 1.00 0.00 C ATOM 1005 C ASN A 61 5.942 26.357 29.318 1.00 0.00 C ATOM 1006 O ASN A 61 7.129 26.075 29.474 1.00 0.00 O ATOM 1007 CB ASN A 61 3.888 25.066 29.810 1.00 0.00 C ATOM 1008 CG ASN A 61 3.805 23.779 30.633 1.00 0.00 C ATOM 1009 OD1 ASN A 61 4.275 23.697 31.756 1.00 0.00 O ATOM 1010 ND2 ASN A 61 3.180 22.781 30.014 1.00 0.00 N ATOM 0 H ASN A 61 3.270 27.207 30.950 1.00 0.00 H new ATOM 0 HA ASN A 61 5.394 25.564 31.267 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.910 25.546 29.778 1.00 0.00 H new ATOM 0 HB3 ASN A 61 4.159 24.828 28.782 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.071 21.880 30.480 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.810 22.917 29.073 1.00 0.00 H new ATOM 1017 N PRO A 62 5.434 26.963 28.211 1.00 0.00 N ATOM 1018 CA PRO A 62 6.293 27.331 27.098 1.00 0.00 C ATOM 1019 C PRO A 62 7.126 28.569 27.435 1.00 0.00 C ATOM 1020 O PRO A 62 8.054 28.913 26.705 1.00 0.00 O ATOM 1021 CB PRO A 62 5.347 27.551 25.928 1.00 0.00 C ATOM 1022 CG PRO A 62 3.969 27.754 26.539 1.00 0.00 C ATOM 1023 CD PRO A 62 4.034 27.312 27.992 1.00 0.00 C ATOM 0 HA PRO A 62 7.027 26.561 26.860 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.646 28.420 25.342 1.00 0.00 H new ATOM 0 HB3 PRO A 62 5.353 26.694 25.254 1.00 0.00 H new ATOM 0 HG2 PRO A 62 3.672 28.800 26.471 1.00 0.00 H new ATOM 0 HG3 PRO A 62 3.222 27.175 25.997 1.00 0.00 H new ATOM 0 HD2 PRO A 62 3.715 28.110 28.663 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.380 26.460 28.176 1.00 0.00 H new ATOM 1031 N ILE A 63 6.765 29.203 28.541 1.00 0.00 N ATOM 1032 CA ILE A 63 7.469 30.395 28.983 1.00 0.00 C ATOM 1033 C ILE A 63 7.851 31.238 27.764 1.00 0.00 C ATOM 1034 O ILE A 63 8.936 31.075 27.208 1.00 0.00 O ATOM 1035 CB ILE A 63 8.658 30.018 29.867 1.00 0.00 C ATOM 1036 CG1 ILE A 63 9.321 31.265 30.457 1.00 0.00 C ATOM 1037 CG2 ILE A 63 9.656 29.146 29.102 1.00 0.00 C ATOM 1038 CD1 ILE A 63 8.273 32.242 30.991 1.00 0.00 C ATOM 0 H ILE A 63 5.995 28.914 29.144 1.00 0.00 H new ATOM 0 HA ILE A 63 6.821 31.011 29.607 1.00 0.00 H new ATOM 0 HB ILE A 63 8.287 29.425 30.703 1.00 0.00 H new ATOM 0 HG12 ILE A 63 9.997 30.976 31.262 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.925 31.756 29.694 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.492 28.892 29.754 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.162 28.232 28.772 1.00 0.00 H new ATOM 0 HG23 ILE A 63 10.026 29.692 28.234 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.771 33.119 31.405 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.614 32.548 30.179 1.00 0.00 H new ATOM 0 HD13 ILE A 63 7.687 31.756 31.771 1.00 0.00 H new ATOM 1050 N ASP A 64 6.939 32.121 27.385 1.00 0.00 N ATOM 1051 CA ASP A 64 7.167 32.989 26.243 1.00 0.00 C ATOM 1052 C ASP A 64 6.155 34.137 26.270 1.00 0.00 C ATOM 1053 O ASP A 64 4.952 33.911 26.149 1.00 0.00 O ATOM 1054 CB ASP A 64 6.985 32.230 24.928 1.00 0.00 C ATOM 1055 CG ASP A 64 8.042 32.521 23.861 1.00 0.00 C ATOM 1056 OD1 ASP A 64 7.762 33.180 22.849 1.00 0.00 O ATOM 1057 OD2 ASP A 64 9.210 32.033 24.104 1.00 0.00 O ATOM 0 H ASP A 64 6.040 32.254 27.849 1.00 0.00 H new ATOM 0 HA ASP A 64 8.189 33.364 26.304 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.989 31.161 25.140 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.003 32.470 24.520 1.00 0.00 H new ATOM 1063 N TYR A 65 6.680 35.343 26.431 1.00 0.00 N ATOM 1064 CA TYR A 65 5.838 36.525 26.475 1.00 0.00 C ATOM 1065 C TYR A 65 5.075 36.707 25.160 1.00 0.00 C ATOM 1066 O TYR A 65 4.155 37.518 25.078 1.00 0.00 O ATOM 1067 CB TYR A 65 6.785 37.711 26.669 1.00 0.00 C ATOM 1068 CG TYR A 65 6.122 38.943 27.289 1.00 0.00 C ATOM 1069 CD1 TYR A 65 5.421 39.825 26.491 1.00 0.00 C ATOM 1070 CD2 TYR A 65 6.223 39.172 28.646 1.00 0.00 C ATOM 1071 CE1 TYR A 65 4.798 40.984 27.075 1.00 0.00 C ATOM 1072 CE2 TYR A 65 5.599 40.331 29.229 1.00 0.00 C ATOM 1073 CZ TYR A 65 4.918 41.179 28.415 1.00 0.00 C ATOM 1074 OH TYR A 65 4.328 42.274 28.967 1.00 0.00 O ATOM 0 H TYR A 65 7.678 35.526 26.533 1.00 0.00 H new ATOM 0 HA TYR A 65 5.103 36.441 27.275 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.615 37.400 27.304 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.208 37.986 25.703 1.00 0.00 H new ATOM 0 HD1 TYR A 65 5.340 39.646 25.429 1.00 0.00 H new ATOM 0 HD2 TYR A 65 6.770 38.482 29.271 1.00 0.00 H new ATOM 0 HE1 TYR A 65 4.248 41.683 26.462 1.00 0.00 H new ATOM 0 HE2 TYR A 65 5.671 40.522 30.290 1.00 0.00 H new ATOM 0 HH TYR A 65 4.122 42.095 29.908 1.00 0.00 H new ATOM 1084 N SER A 66 5.487 35.936 24.164 1.00 0.00 N ATOM 1085 CA SER A 66 4.856 36.001 22.857 1.00 0.00 C ATOM 1086 C SER A 66 3.375 35.635 22.973 1.00 0.00 C ATOM 1087 O SER A 66 2.571 36.008 22.121 1.00 0.00 O ATOM 1088 CB SER A 66 5.555 35.074 21.861 1.00 0.00 C ATOM 1089 OG SER A 66 6.968 35.255 21.866 1.00 0.00 O ATOM 0 H SER A 66 6.250 35.263 24.236 1.00 0.00 H new ATOM 0 HA SER A 66 4.944 37.022 22.485 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.321 34.038 22.104 1.00 0.00 H new ATOM 0 HB3 SER A 66 5.169 35.261 20.859 1.00 0.00 H new ATOM 0 HG SER A 66 7.372 34.655 22.527 1.00 0.00 H new ATOM 1095 N LEU A 67 3.059 34.909 24.035 1.00 0.00 N ATOM 1096 CA LEU A 67 1.689 34.489 24.274 1.00 0.00 C ATOM 1097 C LEU A 67 0.988 35.525 25.155 1.00 0.00 C ATOM 1098 O LEU A 67 -0.240 35.553 25.230 1.00 0.00 O ATOM 1099 CB LEU A 67 1.656 33.071 24.848 1.00 0.00 C ATOM 1100 CG LEU A 67 0.267 32.469 25.070 1.00 0.00 C ATOM 1101 CD1 LEU A 67 0.354 30.959 25.297 1.00 0.00 C ATOM 1102 CD2 LEU A 67 -0.464 33.180 26.211 1.00 0.00 C ATOM 0 H LEU A 67 3.729 34.601 24.740 1.00 0.00 H new ATOM 0 HA LEU A 67 1.136 34.442 23.336 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.211 32.416 24.177 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.185 33.074 25.801 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.321 32.625 24.166 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.647 30.556 25.452 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.805 30.485 24.425 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.966 30.758 26.176 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.448 32.732 26.347 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.111 33.078 27.131 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.576 34.237 25.968 1.00 0.00 H new ATOM 1114 N LEU A 68 1.798 36.352 25.799 1.00 0.00 N ATOM 1115 CA LEU A 68 1.271 37.388 26.671 1.00 0.00 C ATOM 1116 C LEU A 68 0.582 38.460 25.825 1.00 0.00 C ATOM 1117 O LEU A 68 -0.621 38.682 25.956 1.00 0.00 O ATOM 1118 CB LEU A 68 2.373 37.936 27.580 1.00 0.00 C ATOM 1119 CG LEU A 68 2.366 37.430 29.023 1.00 0.00 C ATOM 1120 CD1 LEU A 68 3.286 38.276 29.905 1.00 0.00 C ATOM 1121 CD2 LEU A 68 0.940 37.368 29.575 1.00 0.00 C ATOM 0 H LEU A 68 2.816 36.326 25.734 1.00 0.00 H new ATOM 0 HA LEU A 68 0.515 36.975 27.339 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.338 37.692 27.135 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.295 39.023 27.597 1.00 0.00 H new ATOM 0 HG LEU A 68 2.759 36.413 29.031 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.263 37.895 30.926 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.305 38.225 29.522 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.947 39.312 29.896 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.963 37.005 30.603 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.497 38.364 29.552 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.343 36.691 28.964 1.00 0.00 H new ATOM 1133 N ALA A 69 1.374 39.098 24.975 1.00 0.00 N ATOM 1134 CA ALA A 69 0.856 40.141 24.107 1.00 0.00 C ATOM 1135 C ALA A 69 -0.362 39.610 23.350 1.00 0.00 C ATOM 1136 O ALA A 69 -1.189 40.386 22.873 1.00 0.00 O ATOM 1137 CB ALA A 69 1.963 40.620 23.167 1.00 0.00 C ATOM 0 H ALA A 69 2.371 38.912 24.869 1.00 0.00 H new ATOM 0 HA ALA A 69 0.531 41.001 24.693 1.00 0.00 H new ATOM 0 HB1 ALA A 69 1.574 41.403 22.516 1.00 0.00 H new ATOM 0 HB2 ALA A 69 2.793 41.015 23.753 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.313 39.784 22.561 1.00 0.00 H new ATOM 1143 N SER A 70 -0.436 38.290 23.262 1.00 0.00 N ATOM 1144 CA SER A 70 -1.539 37.645 22.570 1.00 0.00 C ATOM 1145 C SER A 70 -2.826 37.793 23.386 1.00 0.00 C ATOM 1146 O SER A 70 -3.900 38.000 22.825 1.00 0.00 O ATOM 1147 CB SER A 70 -1.242 36.167 22.314 1.00 0.00 C ATOM 1148 OG SER A 70 -2.214 35.565 21.465 1.00 0.00 O ATOM 0 H SER A 70 0.251 37.649 23.659 1.00 0.00 H new ATOM 0 HA SER A 70 -1.668 38.134 21.604 1.00 0.00 H new ATOM 0 HB2 SER A 70 -0.255 36.069 21.861 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.211 35.634 23.264 1.00 0.00 H new ATOM 0 HG SER A 70 -1.987 34.622 21.325 1.00 0.00 H new ATOM 1154 N LEU A 71 -2.673 37.682 24.697 1.00 0.00 N ATOM 1155 CA LEU A 71 -3.810 37.801 25.595 1.00 0.00 C ATOM 1156 C LEU A 71 -4.473 39.165 25.394 1.00 0.00 C ATOM 1157 O LEU A 71 -5.699 39.265 25.370 1.00 0.00 O ATOM 1158 CB LEU A 71 -3.381 37.533 27.040 1.00 0.00 C ATOM 1159 CG LEU A 71 -3.931 36.255 27.676 1.00 0.00 C ATOM 1160 CD1 LEU A 71 -2.830 35.205 27.838 1.00 0.00 C ATOM 1161 CD2 LEU A 71 -4.631 36.560 29.003 1.00 0.00 C ATOM 0 H LEU A 71 -1.780 37.511 25.159 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.560 37.045 25.363 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.292 37.492 27.073 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.687 38.381 27.652 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.680 35.835 27.005 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.248 34.307 28.292 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.416 34.958 26.860 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.041 35.601 28.477 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.013 35.635 29.434 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.921 37.016 29.693 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.459 37.247 28.828 1.00 0.00 H new ATOM 1173 N ILE A 72 -3.633 40.180 25.255 1.00 0.00 N ATOM 1174 CA ILE A 72 -4.123 41.534 25.056 1.00 0.00 C ATOM 1175 C ILE A 72 -5.068 41.558 23.854 1.00 0.00 C ATOM 1176 O ILE A 72 -4.640 41.363 22.718 1.00 0.00 O ATOM 1177 CB ILE A 72 -2.954 42.515 24.940 1.00 0.00 C ATOM 1178 CG1 ILE A 72 -1.957 42.318 26.083 1.00 0.00 C ATOM 1179 CG2 ILE A 72 -3.456 43.958 24.858 1.00 0.00 C ATOM 1180 CD1 ILE A 72 -0.978 43.491 26.165 1.00 0.00 C ATOM 0 H ILE A 72 -2.617 40.092 25.276 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.699 41.862 25.921 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.423 42.306 24.011 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -2.494 42.222 27.026 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.406 41.389 25.934 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.606 44.635 24.776 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -4.096 44.072 23.983 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -4.025 44.197 25.757 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.280 43.326 26.986 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.425 43.570 25.229 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.530 44.414 26.339 1.00 0.00 H new ATOM 1192 N PRO A 73 -6.372 41.807 24.153 1.00 0.00 N ATOM 1193 CA PRO A 73 -7.383 41.860 23.110 1.00 0.00 C ATOM 1194 C PRO A 73 -7.280 43.163 22.313 1.00 0.00 C ATOM 1195 O PRO A 73 -8.285 43.837 22.090 1.00 0.00 O ATOM 1196 CB PRO A 73 -8.708 41.711 23.839 1.00 0.00 C ATOM 1197 CG PRO A 73 -8.424 42.046 25.294 1.00 0.00 C ATOM 1198 CD PRO A 73 -6.916 42.044 25.487 1.00 0.00 C ATOM 0 HA PRO A 73 -7.263 41.072 22.366 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.460 42.382 23.423 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.096 40.697 23.740 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.840 43.020 25.550 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.894 41.316 25.953 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.568 42.993 25.894 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.607 41.266 26.185 1.00 0.00 H new ATOM 1206 N LYS A 74 -6.059 43.476 21.907 1.00 0.00 N ATOM 1207 CA LYS A 74 -5.813 44.685 21.140 1.00 0.00 C ATOM 1208 C LYS A 74 -6.844 45.747 21.526 1.00 0.00 C ATOM 1209 O LYS A 74 -7.912 45.830 20.923 1.00 0.00 O ATOM 1210 CB LYS A 74 -5.784 44.373 19.642 1.00 0.00 C ATOM 1211 CG LYS A 74 -4.585 43.490 19.290 1.00 0.00 C ATOM 1212 CD LYS A 74 -4.951 42.007 19.379 1.00 0.00 C ATOM 1213 CE LYS A 74 -4.134 41.179 18.386 1.00 0.00 C ATOM 1214 NZ LYS A 74 -4.897 39.989 17.950 1.00 0.00 N ATOM 0 H LYS A 74 -5.229 42.913 22.095 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.830 45.093 21.377 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.707 43.871 19.353 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.735 45.302 19.074 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.240 43.723 18.283 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.759 43.706 19.967 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -4.773 41.645 20.392 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.014 41.879 19.176 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.876 41.789 17.521 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.197 40.868 18.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.327 39.439 17.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.122 39.399 18.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.780 40.292 17.490 1.00 0.00 H new ATOM 1227 N GLY A 75 -6.487 46.534 22.532 1.00 0.00 N ATOM 1228 CA GLY A 75 -7.368 47.588 23.006 1.00 0.00 C ATOM 1229 C GLY A 75 -7.485 47.560 24.531 1.00 0.00 C ATOM 1230 O GLY A 75 -8.141 48.416 25.123 1.00 0.00 O ATOM 0 H GLY A 75 -5.600 46.462 23.031 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.987 48.557 22.685 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.355 47.470 22.560 1.00 0.00 H new ATOM 1234 N TYR A 76 -6.837 46.567 25.124 1.00 0.00 N ATOM 1235 CA TYR A 76 -6.861 46.417 26.569 1.00 0.00 C ATOM 1236 C TYR A 76 -6.818 47.780 27.263 1.00 0.00 C ATOM 1237 O TYR A 76 -6.323 48.753 26.698 1.00 0.00 O ATOM 1238 CB TYR A 76 -5.596 45.634 26.931 1.00 0.00 C ATOM 1239 CG TYR A 76 -5.786 44.645 28.083 1.00 0.00 C ATOM 1240 CD1 TYR A 76 -6.898 43.828 28.114 1.00 0.00 C ATOM 1241 CD2 TYR A 76 -4.845 44.570 29.089 1.00 0.00 C ATOM 1242 CE1 TYR A 76 -7.076 42.896 29.198 1.00 0.00 C ATOM 1243 CE2 TYR A 76 -5.024 43.638 30.173 1.00 0.00 C ATOM 1244 CZ TYR A 76 -6.130 42.848 30.174 1.00 0.00 C ATOM 1245 OH TYR A 76 -6.299 41.967 31.197 1.00 0.00 O ATOM 0 H TYR A 76 -6.293 45.859 24.630 1.00 0.00 H new ATOM 0 HA TYR A 76 -7.773 45.912 26.888 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -5.253 45.090 26.051 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.808 46.339 27.197 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.634 43.887 27.326 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -3.975 45.209 29.064 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.941 42.250 29.235 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.295 43.569 30.967 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.256 41.829 31.355 1.00 0.00 H new ATOM 1255 N PRO A 77 -7.359 47.806 28.510 1.00 0.00 N ATOM 1256 CA PRO A 77 -7.388 49.034 29.287 1.00 0.00 C ATOM 1257 C PRO A 77 -6.002 49.364 29.844 1.00 0.00 C ATOM 1258 O PRO A 77 -5.009 48.754 29.448 1.00 0.00 O ATOM 1259 CB PRO A 77 -8.422 48.787 30.375 1.00 0.00 C ATOM 1260 CG PRO A 77 -8.593 47.279 30.451 1.00 0.00 C ATOM 1261 CD PRO A 77 -7.955 46.674 29.211 1.00 0.00 C ATOM 0 HA PRO A 77 -7.659 49.904 28.688 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.088 49.191 31.331 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.366 49.276 30.135 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.122 46.887 31.352 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.650 47.017 30.503 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.202 45.931 29.475 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.696 46.170 28.591 1.00 0.00 H new ATOM 1269 N GLY A 78 -5.978 50.326 30.754 1.00 0.00 N ATOM 1270 CA GLY A 78 -4.730 50.744 31.369 1.00 0.00 C ATOM 1271 C GLY A 78 -3.653 50.993 30.311 1.00 0.00 C ATOM 1272 O GLY A 78 -3.937 50.970 29.114 1.00 0.00 O ATOM 0 H GLY A 78 -6.803 50.828 31.081 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -4.893 51.653 31.948 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.390 49.978 32.066 1.00 0.00 H new ATOM 1276 N ARG A 79 -2.440 51.226 30.790 1.00 0.00 N ATOM 1277 CA ARG A 79 -1.320 51.480 29.901 1.00 0.00 C ATOM 1278 C ARG A 79 -0.469 50.218 29.745 1.00 0.00 C ATOM 1279 O ARG A 79 0.694 50.294 29.353 1.00 0.00 O ATOM 1280 CB ARG A 79 -0.442 52.616 30.429 1.00 0.00 C ATOM 1281 CG ARG A 79 -1.075 53.978 30.137 1.00 0.00 C ATOM 1282 CD ARG A 79 -2.252 54.248 31.078 1.00 0.00 C ATOM 1283 NE ARG A 79 -1.934 55.385 31.972 1.00 0.00 N ATOM 1284 CZ ARG A 79 -2.183 56.678 31.669 1.00 0.00 C ATOM 1285 NH1 ARG A 79 -2.753 57.008 30.492 1.00 0.00 N ATOM 1286 NH2 ARG A 79 -1.858 57.613 32.542 1.00 0.00 N ATOM 0 H ARG A 79 -2.208 51.244 31.783 1.00 0.00 H new ATOM 0 HA ARG A 79 -1.726 51.771 28.932 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.298 52.500 31.503 1.00 0.00 H new ATOM 0 HB3 ARG A 79 0.544 52.563 29.968 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -0.327 54.763 30.250 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -1.417 54.010 29.102 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -3.148 54.470 30.499 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -2.467 53.358 31.670 1.00 0.00 H new ATOM 0 HE ARG A 79 -1.500 55.179 32.872 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -3.000 56.279 29.823 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.938 57.987 30.271 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -1.426 57.354 33.429 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.039 58.594 32.330 1.00 0.00 H new ATOM 1299 N VAL A 80 -1.083 49.086 30.061 1.00 0.00 N ATOM 1300 CA VAL A 80 -0.396 47.809 29.961 1.00 0.00 C ATOM 1301 C VAL A 80 0.112 47.619 28.530 1.00 0.00 C ATOM 1302 O VAL A 80 1.239 47.171 28.323 1.00 0.00 O ATOM 1303 CB VAL A 80 -1.321 46.681 30.423 1.00 0.00 C ATOM 1304 CG1 VAL A 80 -1.523 45.649 29.312 1.00 0.00 C ATOM 1305 CG2 VAL A 80 -0.785 46.019 31.694 1.00 0.00 C ATOM 0 H VAL A 80 -2.048 49.027 30.386 1.00 0.00 H new ATOM 0 HA VAL A 80 0.473 47.789 30.619 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.292 47.118 30.656 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.184 44.858 29.666 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.969 46.133 28.443 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -0.560 45.220 29.035 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.461 45.221 32.001 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.203 45.603 31.498 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.715 46.761 32.489 1.00 0.00 H new ATOM 1315 N VAL A 81 -0.744 47.967 27.581 1.00 0.00 N ATOM 1316 CA VAL A 81 -0.395 47.840 26.177 1.00 0.00 C ATOM 1317 C VAL A 81 0.580 48.955 25.794 1.00 0.00 C ATOM 1318 O VAL A 81 1.517 48.730 25.030 1.00 0.00 O ATOM 1319 CB VAL A 81 -1.664 47.838 25.321 1.00 0.00 C ATOM 1320 CG1 VAL A 81 -1.359 47.388 23.890 1.00 0.00 C ATOM 1321 CG2 VAL A 81 -2.748 46.961 25.951 1.00 0.00 C ATOM 0 H VAL A 81 -1.678 48.337 27.757 1.00 0.00 H new ATOM 0 HA VAL A 81 0.108 46.891 25.994 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.041 48.860 25.278 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.277 47.395 23.303 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.636 48.069 23.441 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.947 46.379 23.906 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -3.639 46.977 25.323 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -2.383 45.938 26.038 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -2.995 47.343 26.941 1.00 0.00 H new ATOM 1331 N GLU A 82 0.328 50.134 26.344 1.00 0.00 N ATOM 1332 CA GLU A 82 1.172 51.284 26.070 1.00 0.00 C ATOM 1333 C GLU A 82 2.617 50.990 26.476 1.00 0.00 C ATOM 1334 O GLU A 82 3.535 51.705 26.079 1.00 0.00 O ATOM 1335 CB GLU A 82 0.646 52.532 26.782 1.00 0.00 C ATOM 1336 CG GLU A 82 0.228 53.603 25.772 1.00 0.00 C ATOM 1337 CD GLU A 82 1.328 54.652 25.597 1.00 0.00 C ATOM 1338 OE1 GLU A 82 2.491 54.295 25.359 1.00 0.00 O ATOM 1339 OE2 GLU A 82 0.939 55.876 25.716 1.00 0.00 O ATOM 0 H GLU A 82 -0.449 50.317 26.978 1.00 0.00 H new ATOM 0 HA GLU A 82 1.149 51.480 24.998 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.205 52.266 27.409 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.416 52.930 27.442 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.010 53.136 24.811 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.690 54.086 26.108 1.00 0.00 H new ATOM 1347 N ILE A 83 2.775 49.935 27.264 1.00 0.00 N ATOM 1348 CA ILE A 83 4.093 49.537 27.728 1.00 0.00 C ATOM 1349 C ILE A 83 4.583 48.348 26.900 1.00 0.00 C ATOM 1350 O ILE A 83 5.730 48.327 26.456 1.00 0.00 O ATOM 1351 CB ILE A 83 4.073 49.272 29.234 1.00 0.00 C ATOM 1352 CG1 ILE A 83 3.400 50.423 29.985 1.00 0.00 C ATOM 1353 CG2 ILE A 83 5.482 48.989 29.760 1.00 0.00 C ATOM 1354 CD1 ILE A 83 2.529 49.898 31.128 1.00 0.00 C ATOM 0 H ILE A 83 2.011 49.344 27.592 1.00 0.00 H new ATOM 0 HA ILE A 83 4.809 50.345 27.580 1.00 0.00 H new ATOM 0 HB ILE A 83 3.477 48.378 29.415 1.00 0.00 H new ATOM 0 HG12 ILE A 83 4.160 51.096 30.382 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.789 51.004 29.295 1.00 0.00 H new ATOM 0 HG21 ILE A 83 5.439 48.804 30.833 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.889 48.112 29.257 1.00 0.00 H new ATOM 0 HG23 ILE A 83 6.123 49.849 29.565 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.063 50.737 31.645 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.755 49.244 30.725 1.00 0.00 H new ATOM 0 HD13 ILE A 83 3.148 49.338 31.829 1.00 0.00 H new ATOM 1366 N ILE A 84 3.689 47.387 26.717 1.00 0.00 N ATOM 1367 CA ILE A 84 4.017 46.197 25.950 1.00 0.00 C ATOM 1368 C ILE A 84 4.227 46.581 24.484 1.00 0.00 C ATOM 1369 O ILE A 84 5.059 45.992 23.797 1.00 0.00 O ATOM 1370 CB ILE A 84 2.952 45.118 26.156 1.00 0.00 C ATOM 1371 CG1 ILE A 84 2.876 44.695 27.624 1.00 0.00 C ATOM 1372 CG2 ILE A 84 3.194 43.925 25.228 1.00 0.00 C ATOM 1373 CD1 ILE A 84 1.729 43.709 27.853 1.00 0.00 C ATOM 0 H ILE A 84 2.738 47.408 27.086 1.00 0.00 H new ATOM 0 HA ILE A 84 4.952 45.762 26.303 1.00 0.00 H new ATOM 0 HB ILE A 84 1.982 45.541 25.892 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.819 44.237 27.923 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.735 45.574 28.252 1.00 0.00 H new ATOM 0 HG21 ILE A 84 2.423 43.172 25.394 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.158 44.258 24.191 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.173 43.494 25.437 1.00 0.00 H new ATOM 0 HD11 ILE A 84 1.698 43.425 28.905 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.785 44.178 27.576 1.00 0.00 H new ATOM 0 HD13 ILE A 84 1.886 42.820 27.242 1.00 0.00 H new ATOM 1385 N ASN A 85 3.457 47.568 24.049 1.00 0.00 N ATOM 1386 CA ASN A 85 3.549 48.039 22.677 1.00 0.00 C ATOM 1387 C ASN A 85 4.993 48.450 22.378 1.00 0.00 C ATOM 1388 O ASN A 85 5.422 48.428 21.226 1.00 0.00 O ATOM 1389 CB ASN A 85 2.654 49.260 22.452 1.00 0.00 C ATOM 1390 CG ASN A 85 3.242 50.502 23.125 1.00 0.00 C ATOM 1391 OD1 ASN A 85 3.948 50.426 24.117 1.00 0.00 O ATOM 1392 ND2 ASN A 85 2.911 51.645 22.533 1.00 0.00 N ATOM 0 H ASN A 85 2.767 48.054 24.622 1.00 0.00 H new ATOM 0 HA ASN A 85 3.227 47.230 22.021 1.00 0.00 H new ATOM 0 HB2 ASN A 85 2.541 49.440 21.383 1.00 0.00 H new ATOM 0 HB3 ASN A 85 1.658 49.064 22.849 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.252 52.531 22.907 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.316 51.637 21.705 1.00 0.00 H new ATOM 1399 N ILE A 86 5.701 48.814 23.437 1.00 0.00 N ATOM 1400 CA ILE A 86 7.087 49.229 23.302 1.00 0.00 C ATOM 1401 C ILE A 86 7.958 48.002 23.026 1.00 0.00 C ATOM 1402 O ILE A 86 8.981 48.102 22.352 1.00 0.00 O ATOM 1403 CB ILE A 86 7.527 50.033 24.528 1.00 0.00 C ATOM 1404 CG1 ILE A 86 6.910 51.432 24.518 1.00 0.00 C ATOM 1405 CG2 ILE A 86 9.053 50.080 24.633 1.00 0.00 C ATOM 1406 CD1 ILE A 86 6.666 51.935 25.941 1.00 0.00 C ATOM 0 H ILE A 86 5.341 48.830 24.391 1.00 0.00 H new ATOM 0 HA ILE A 86 7.203 49.900 22.451 1.00 0.00 H new ATOM 0 HB ILE A 86 7.158 49.526 25.419 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.572 52.121 23.994 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.969 51.414 23.969 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.340 50.657 25.512 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.443 49.066 24.721 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.465 50.551 23.740 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.227 52.932 25.904 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.984 51.257 26.455 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.613 51.975 26.480 1.00 0.00 H new ATOM 1418 N LEU A 87 7.519 46.872 23.561 1.00 0.00 N ATOM 1419 CA LEU A 87 8.245 45.627 23.380 1.00 0.00 C ATOM 1420 C LEU A 87 8.037 45.122 21.951 1.00 0.00 C ATOM 1421 O LEU A 87 8.987 44.696 21.295 1.00 0.00 O ATOM 1422 CB LEU A 87 7.846 44.613 24.455 1.00 0.00 C ATOM 1423 CG LEU A 87 7.769 45.148 25.886 1.00 0.00 C ATOM 1424 CD1 LEU A 87 7.205 44.090 26.837 1.00 0.00 C ATOM 1425 CD2 LEU A 87 9.130 45.670 26.351 1.00 0.00 C ATOM 0 H LEU A 87 6.669 46.793 24.120 1.00 0.00 H new ATOM 0 HA LEU A 87 9.315 45.789 23.508 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.874 44.197 24.191 1.00 0.00 H new ATOM 0 HB3 LEU A 87 8.561 43.791 24.434 1.00 0.00 H new ATOM 0 HG LEU A 87 7.080 45.992 25.898 1.00 0.00 H new ATOM 0 HD11 LEU A 87 7.161 44.496 27.848 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.202 43.809 26.515 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.850 43.211 26.827 1.00 0.00 H new ATOM 0 HD21 LEU A 87 9.047 46.044 27.371 1.00 0.00 H new ATOM 0 HD22 LEU A 87 9.860 44.861 26.320 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.454 46.477 25.694 1.00 0.00 H new ATOM 1437 N VAL A 88 6.790 45.188 21.511 1.00 0.00 N ATOM 1438 CA VAL A 88 6.444 44.744 20.171 1.00 0.00 C ATOM 1439 C VAL A 88 7.159 45.626 19.145 1.00 0.00 C ATOM 1440 O VAL A 88 7.799 45.119 18.224 1.00 0.00 O ATOM 1441 CB VAL A 88 4.924 44.737 19.997 1.00 0.00 C ATOM 1442 CG1 VAL A 88 4.541 44.770 18.516 1.00 0.00 C ATOM 1443 CG2 VAL A 88 4.297 43.530 20.699 1.00 0.00 C ATOM 0 H VAL A 88 6.006 45.542 22.059 1.00 0.00 H new ATOM 0 HA VAL A 88 6.780 43.720 20.010 1.00 0.00 H new ATOM 0 HB VAL A 88 4.529 45.639 20.465 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.455 44.764 18.421 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.941 45.674 18.057 1.00 0.00 H new ATOM 0 HG13 VAL A 88 4.954 43.895 18.014 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.216 43.549 20.560 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.701 42.611 20.274 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.526 43.569 21.764 1.00 0.00 H new ATOM 1453 N LYS A 89 7.026 46.929 19.339 1.00 0.00 N ATOM 1454 CA LYS A 89 7.652 47.887 18.442 1.00 0.00 C ATOM 1455 C LYS A 89 9.172 47.778 18.567 1.00 0.00 C ATOM 1456 O LYS A 89 9.906 48.288 17.721 1.00 0.00 O ATOM 1457 CB LYS A 89 7.112 49.295 18.701 1.00 0.00 C ATOM 1458 CG LYS A 89 6.756 49.996 17.389 1.00 0.00 C ATOM 1459 CD LYS A 89 7.981 50.687 16.787 1.00 0.00 C ATOM 1460 CE LYS A 89 7.899 50.715 15.259 1.00 0.00 C ATOM 1461 NZ LYS A 89 8.941 49.845 14.667 1.00 0.00 N ATOM 0 H LYS A 89 6.494 47.345 20.104 1.00 0.00 H new ATOM 0 HA LYS A 89 7.401 47.660 17.406 1.00 0.00 H new ATOM 0 HB2 LYS A 89 6.229 49.238 19.338 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.857 49.881 19.240 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.359 49.269 16.680 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.970 50.730 17.566 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.053 51.705 17.170 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.886 50.165 17.097 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.913 50.382 14.936 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.024 51.737 14.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 8.871 49.876 13.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 9.881 50.180 14.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.804 48.867 14.994 1.00 0.00 H new ATOM 1474 N ASN A 90 9.600 47.110 19.628 1.00 0.00 N ATOM 1475 CA ASN A 90 11.021 46.928 19.874 1.00 0.00 C ATOM 1476 C ASN A 90 11.562 45.845 18.938 1.00 0.00 C ATOM 1477 O ASN A 90 12.413 46.118 18.093 1.00 0.00 O ATOM 1478 CB ASN A 90 11.277 46.479 21.314 1.00 0.00 C ATOM 1479 CG ASN A 90 12.188 47.469 22.043 1.00 0.00 C ATOM 1480 OD1 ASN A 90 11.863 47.993 23.096 1.00 0.00 O ATOM 1481 ND2 ASN A 90 13.345 47.696 21.426 1.00 0.00 N ATOM 0 H ASN A 90 8.988 46.688 20.327 1.00 0.00 H new ATOM 0 HA ASN A 90 11.518 47.882 19.699 1.00 0.00 H new ATOM 0 HB2 ASN A 90 10.329 46.392 21.846 1.00 0.00 H new ATOM 0 HB3 ASN A 90 11.735 45.490 21.314 1.00 0.00 H new ATOM 0 HD21 ASN A 90 14.022 48.342 21.833 1.00 0.00 H new ATOM 0 HD22 ASN A 90 13.555 47.224 20.546 1.00 0.00 H new