USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 635 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 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 160:sc= -1.18 (180deg=-3.25!) USER MOD Single : A 38 GLN : amide:sc= -0.0224 K(o=-0.022,f=-1.2) USER MOD Single : A 39 ASN : amide:sc= -3.48! K(o=-3.5!,f=-2.3) USER MOD Single : A 44 HIS : no HD1:sc= -0.0193 X(o=-0.019,f=-0.34) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc=-0.00554 K(o=-0.0055,f=-0.75) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0.1) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -1.62! C(o=-1.6!,f=-3.2!) USER MOD Single : A 69 GLN : amide:sc= -0.185 K(o=-0.19,f=-1.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 76 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 79 THR OG1 : rot -27:sc= 0.282! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 162:sc= -0.113 (180deg=-0.595) USER MOD Single : A 88 GLN : amide:sc= -0.919 X(o=-0.92,f=-1.4) USER MOD Single : A 90 GLN : amide:sc= -0.0794 K(o=-0.079,f=-1) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 5:sc= 1.17 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 13.961 47.191 72.260 1.00 25.31 N ATOM 249 CA LYS A 17 13.995 46.017 71.395 1.00 13.13 C ATOM 250 C LYS A 17 12.696 45.886 70.605 1.00 45.44 C ATOM 251 O LYS A 17 11.781 46.694 70.759 1.00 22.21 O ATOM 252 CB LYS A 17 14.227 44.753 72.227 1.00 52.34 C ATOM 253 CG LYS A 17 15.421 44.852 73.161 1.00 4.25 C ATOM 254 CD LYS A 17 15.098 44.297 74.539 1.00 54.32 C ATOM 255 CE LYS A 17 16.295 44.391 75.472 1.00 41.10 C ATOM 256 NZ LYS A 17 16.658 43.065 76.044 1.00 73.32 N ATOM 0 HA LYS A 17 14.818 46.138 70.691 1.00 13.13 H new ATOM 0 HB2 LYS A 17 13.333 44.545 72.814 1.00 52.34 H new ATOM 0 HB3 LYS A 17 14.371 43.907 71.555 1.00 52.34 H new ATOM 0 HG2 LYS A 17 16.263 44.306 72.736 1.00 4.25 H new ATOM 0 HG3 LYS A 17 15.729 45.894 73.250 1.00 4.25 H new ATOM 0 HD2 LYS A 17 14.259 44.846 74.966 1.00 54.32 H new ATOM 0 HD3 LYS A 17 14.786 43.256 74.449 1.00 54.32 H new ATOM 0 HE2 LYS A 17 17.148 44.798 74.929 1.00 41.10 H new ATOM 0 HE3 LYS A 17 16.071 45.086 76.281 1.00 41.10 H new ATOM 0 HZ1 LYS A 17 17.478 43.172 76.674 1.00 73.32 H new ATOM 0 HZ2 LYS A 17 15.853 42.688 76.584 1.00 73.32 H new ATOM 0 HZ3 LYS A 17 16.896 42.408 75.274 1.00 73.32 H new ATOM 270 N TRP A 18 12.625 44.863 69.761 1.00 20.15 N ATOM 271 CA TRP A 18 11.437 44.625 68.948 1.00 61.42 C ATOM 272 C TRP A 18 10.182 44.600 69.812 1.00 33.22 C ATOM 273 O TRP A 18 10.259 44.667 71.040 1.00 62.41 O ATOM 274 CB TRP A 18 11.573 43.307 68.183 1.00 15.02 C ATOM 275 CG TRP A 18 12.928 43.108 67.578 1.00 42.10 C ATOM 276 CD1 TRP A 18 13.928 42.307 68.051 1.00 22.01 C ATOM 277 CD2 TRP A 18 13.434 43.722 66.387 1.00 52.22 C ATOM 278 NE1 TRP A 18 15.024 42.386 67.227 1.00 61.40 N ATOM 279 CE2 TRP A 18 14.747 43.247 66.199 1.00 71.31 C ATOM 280 CE3 TRP A 18 12.905 44.626 65.462 1.00 45.20 C ATOM 281 CZ2 TRP A 18 15.535 43.647 65.123 1.00 51.52 C ATOM 282 CZ3 TRP A 18 13.689 45.022 64.395 1.00 62.51 C ATOM 283 CH2 TRP A 18 14.992 44.533 64.232 1.00 4.03 C ATOM 0 H TRP A 18 13.375 44.186 69.622 1.00 20.15 H new ATOM 0 HA TRP A 18 11.346 45.443 68.234 1.00 61.42 H new ATOM 0 HB2 TRP A 18 11.360 42.479 68.859 1.00 15.02 H new ATOM 0 HB3 TRP A 18 10.822 43.275 67.393 1.00 15.02 H new ATOM 0 HD1 TRP A 18 13.866 41.700 68.942 1.00 22.01 H new ATOM 0 HE1 TRP A 18 15.902 41.884 67.359 1.00 61.40 H new ATOM 0 HE3 TRP A 18 11.902 45.008 65.579 1.00 45.20 H new ATOM 0 HZ2 TRP A 18 16.540 43.271 64.996 1.00 51.52 H new ATOM 0 HZ3 TRP A 18 13.290 45.721 63.674 1.00 62.51 H new ATOM 0 HH2 TRP A 18 15.579 44.861 63.387 1.00 4.03 H new ATOM 294 N LEU A 19 9.025 44.503 69.164 1.00 53.24 N ATOM 295 CA LEU A 19 7.752 44.468 69.875 1.00 73.43 C ATOM 296 C LEU A 19 7.800 43.477 71.032 1.00 52.54 C ATOM 297 O LEU A 19 7.259 43.734 72.108 1.00 75.21 O ATOM 298 CB LEU A 19 6.620 44.095 68.916 1.00 0.22 C ATOM 299 CG LEU A 19 5.425 45.048 68.885 1.00 1.04 C ATOM 300 CD1 LEU A 19 4.926 45.326 70.295 1.00 2.13 C ATOM 301 CD2 LEU A 19 5.795 46.346 68.183 1.00 63.41 C ATOM 0 H LEU A 19 8.943 44.447 68.149 1.00 53.24 H new ATOM 0 HA LEU A 19 7.564 45.462 70.281 1.00 73.43 H new ATOM 0 HB2 LEU A 19 7.031 44.027 67.909 1.00 0.22 H new ATOM 0 HB3 LEU A 19 6.260 43.101 69.180 1.00 0.22 H new ATOM 0 HG LEU A 19 4.621 44.572 68.324 1.00 1.04 H new ATOM 0 HD11 LEU A 19 4.075 46.006 70.252 1.00 2.13 H new ATOM 0 HD12 LEU A 19 4.620 44.391 70.764 1.00 2.13 H new ATOM 0 HD13 LEU A 19 5.725 45.781 70.881 1.00 2.13 H new ATOM 0 HD21 LEU A 19 4.932 47.012 68.171 1.00 63.41 H new ATOM 0 HD22 LEU A 19 6.616 46.826 68.715 1.00 63.41 H new ATOM 0 HD23 LEU A 19 6.102 46.131 67.159 1.00 63.41 H new ATOM 313 N ASP A 20 8.455 42.343 70.806 1.00 74.03 N ATOM 314 CA ASP A 20 8.578 41.314 71.831 1.00 12.52 C ATOM 315 C ASP A 20 10.037 41.114 72.230 1.00 62.11 C ATOM 316 O ASP A 20 10.894 40.867 71.382 1.00 75.43 O ATOM 317 CB ASP A 20 7.988 39.994 71.333 1.00 32.21 C ATOM 318 CG ASP A 20 8.704 38.786 71.906 1.00 23.53 C ATOM 319 OD1 ASP A 20 9.915 38.635 71.644 1.00 52.10 O ATOM 320 OD2 ASP A 20 8.052 37.993 72.616 1.00 23.15 O ATOM 0 H ASP A 20 8.909 42.114 69.922 1.00 74.03 H new ATOM 0 HA ASP A 20 8.022 41.644 72.709 1.00 12.52 H new ATOM 0 HB2 ASP A 20 6.932 39.948 71.601 1.00 32.21 H new ATOM 0 HB3 ASP A 20 8.043 39.963 70.245 1.00 32.21 H new ATOM 325 N GLY A 21 10.313 41.225 73.526 1.00 12.24 N ATOM 326 CA GLY A 21 11.669 41.055 74.013 1.00 21.23 C ATOM 327 C GLY A 21 11.984 41.968 75.181 1.00 33.13 C ATOM 328 O GLY A 21 12.646 41.561 76.137 1.00 74.54 O ATOM 0 H GLY A 21 9.621 41.430 74.247 1.00 12.24 H new ATOM 0 HA2 GLY A 21 11.816 40.018 74.316 1.00 21.23 H new ATOM 0 HA3 GLY A 21 12.370 41.252 73.202 1.00 21.23 H new ATOM 332 N LEU A 22 11.511 43.208 75.104 1.00 51.45 N ATOM 333 CA LEU A 22 11.748 44.183 76.163 1.00 74.25 C ATOM 334 C LEU A 22 11.267 43.653 77.509 1.00 52.34 C ATOM 335 O LEU A 22 10.100 43.294 77.666 1.00 0.13 O ATOM 336 CB LEU A 22 11.039 45.499 75.838 1.00 61.35 C ATOM 337 CG LEU A 22 11.831 46.498 74.993 1.00 5.25 C ATOM 338 CD1 LEU A 22 10.902 47.275 74.073 1.00 1.34 C ATOM 339 CD2 LEU A 22 12.617 47.447 75.886 1.00 0.21 C ATOM 0 H LEU A 22 10.962 43.561 74.320 1.00 51.45 H new ATOM 0 HA LEU A 22 12.822 44.361 76.226 1.00 74.25 H new ATOM 0 HB2 LEU A 22 10.110 45.269 75.316 1.00 61.35 H new ATOM 0 HB3 LEU A 22 10.766 45.983 76.776 1.00 61.35 H new ATOM 0 HG LEU A 22 12.537 45.942 74.376 1.00 5.25 H new ATOM 0 HD11 LEU A 22 11.484 47.981 73.480 1.00 1.34 H new ATOM 0 HD12 LEU A 22 10.385 46.583 73.409 1.00 1.34 H new ATOM 0 HD13 LEU A 22 10.170 47.820 74.670 1.00 1.34 H new ATOM 0 HD21 LEU A 22 13.174 48.151 75.268 1.00 0.21 H new ATOM 0 HD22 LEU A 22 11.929 47.995 76.529 1.00 0.21 H new ATOM 0 HD23 LEU A 22 13.312 46.876 76.502 1.00 0.21 H new ATOM 351 N ARG A 23 12.174 43.608 78.480 1.00 3.41 N ATOM 352 CA ARG A 23 11.842 43.123 79.814 1.00 43.41 C ATOM 353 C ARG A 23 11.324 44.258 80.692 1.00 12.34 C ATOM 354 O ARG A 23 10.262 44.146 81.304 1.00 33.55 O ATOM 355 CB ARG A 23 13.068 42.479 80.465 1.00 22.01 C ATOM 356 CG ARG A 23 13.042 40.960 80.443 1.00 10.33 C ATOM 357 CD ARG A 23 14.419 40.375 80.717 1.00 24.43 C ATOM 358 NE ARG A 23 14.368 38.931 80.931 1.00 42.23 N ATOM 359 CZ ARG A 23 15.287 38.256 81.614 1.00 71.34 C ATOM 360 NH1 ARG A 23 16.322 38.892 82.145 1.00 51.52 N ATOM 361 NH2 ARG A 23 15.170 36.944 81.766 1.00 44.41 N ATOM 0 H ARG A 23 13.144 43.902 78.367 1.00 3.41 H new ATOM 0 HA ARG A 23 11.055 42.375 79.716 1.00 43.41 H new ATOM 0 HB2 ARG A 23 13.965 42.826 79.953 1.00 22.01 H new ATOM 0 HB3 ARG A 23 13.140 42.818 81.499 1.00 22.01 H new ATOM 0 HG2 ARG A 23 12.336 40.596 81.189 1.00 10.33 H new ATOM 0 HG3 ARG A 23 12.686 40.615 79.472 1.00 10.33 H new ATOM 0 HD2 ARG A 23 15.079 40.594 79.878 1.00 24.43 H new ATOM 0 HD3 ARG A 23 14.849 40.857 81.595 1.00 24.43 H new ATOM 0 HE ARG A 23 13.584 38.412 80.535 1.00 42.23 H new ATOM 0 HH11 ARG A 23 16.414 39.901 82.030 1.00 51.52 H new ATOM 0 HH12 ARG A 23 17.026 38.372 82.669 1.00 51.52 H new ATOM 0 HH21 ARG A 23 14.375 36.452 81.359 1.00 44.41 H new ATOM 0 HH22 ARG A 23 15.875 36.426 82.290 1.00 44.41 H new ATOM 449 N GLN A 30 5.314 54.212 77.312 1.00 25.25 N ATOM 450 CA GLN A 30 5.463 53.097 76.383 1.00 74.23 C ATOM 451 C GLN A 30 6.297 53.505 75.174 1.00 42.04 C ATOM 452 O GLN A 30 5.810 54.183 74.270 1.00 20.21 O ATOM 453 CB GLN A 30 4.090 52.600 75.927 1.00 62.13 C ATOM 454 CG GLN A 30 3.879 51.111 76.147 1.00 2.13 C ATOM 455 CD GLN A 30 2.425 50.757 76.383 1.00 12.45 C ATOM 456 OE1 GLN A 30 1.521 51.417 75.870 1.00 62.41 O ATOM 457 NE2 GLN A 30 2.189 49.708 77.164 1.00 52.42 N ATOM 0 HA GLN A 30 5.980 52.290 76.902 1.00 74.23 H new ATOM 0 HB2 GLN A 30 3.317 53.151 76.462 1.00 62.13 H new ATOM 0 HB3 GLN A 30 3.965 52.824 74.868 1.00 62.13 H new ATOM 0 HG2 GLN A 30 4.246 50.564 75.279 1.00 2.13 H new ATOM 0 HG3 GLN A 30 4.472 50.786 77.002 1.00 2.13 H new ATOM 0 HE21 GLN A 30 2.968 49.188 77.569 1.00 52.42 H new ATOM 0 HE22 GLN A 30 1.229 49.422 77.358 1.00 52.42 H new ATOM 466 N GLY A 31 7.560 53.086 75.163 1.00 52.13 N ATOM 467 CA GLY A 31 8.442 53.417 74.060 1.00 44.42 C ATOM 468 C GLY A 31 8.170 52.578 72.828 1.00 5.54 C ATOM 469 O GLY A 31 8.579 52.933 71.723 1.00 71.52 O ATOM 0 H GLY A 31 7.987 52.523 75.899 1.00 52.13 H new ATOM 0 HA2 GLY A 31 8.326 54.472 73.810 1.00 44.42 H new ATOM 0 HA3 GLY A 31 9.477 53.275 74.371 1.00 44.42 H new ATOM 473 N ASP A 32 7.480 51.458 73.017 1.00 51.35 N ATOM 474 CA ASP A 32 7.155 50.564 71.912 1.00 3.13 C ATOM 475 C ASP A 32 6.102 51.188 71.001 1.00 30.24 C ATOM 476 O ASP A 32 6.298 51.294 69.790 1.00 42.42 O ATOM 477 CB ASP A 32 6.654 49.221 72.445 1.00 5.24 C ATOM 478 CG ASP A 32 6.232 48.278 71.335 1.00 72.40 C ATOM 479 OD1 ASP A 32 5.506 48.725 70.423 1.00 73.10 O ATOM 480 OD2 ASP A 32 6.627 47.094 71.380 1.00 23.34 O ATOM 0 H ASP A 32 7.135 51.148 73.925 1.00 51.35 H new ATOM 0 HA ASP A 32 8.062 50.400 71.331 1.00 3.13 H new ATOM 0 HB2 ASP A 32 7.440 48.752 73.037 1.00 5.24 H new ATOM 0 HB3 ASP A 32 5.810 49.391 73.114 1.00 5.24 H new ATOM 485 N VAL A 33 4.983 51.597 71.591 1.00 63.20 N ATOM 486 CA VAL A 33 3.899 52.209 70.833 1.00 31.11 C ATOM 487 C VAL A 33 4.149 53.698 70.622 1.00 33.30 C ATOM 488 O VAL A 33 3.598 54.309 69.706 1.00 33.13 O ATOM 489 CB VAL A 33 2.543 52.023 71.540 1.00 44.32 C ATOM 490 CG1 VAL A 33 2.170 50.549 71.598 1.00 31.40 C ATOM 491 CG2 VAL A 33 2.585 52.626 72.937 1.00 22.54 C ATOM 0 H VAL A 33 4.804 51.515 72.592 1.00 63.20 H new ATOM 0 HA VAL A 33 3.867 51.707 69.866 1.00 31.11 H new ATOM 0 HB VAL A 33 1.777 52.545 70.966 1.00 44.32 H new ATOM 0 HG11 VAL A 33 1.209 50.436 72.101 1.00 31.40 H new ATOM 0 HG12 VAL A 33 2.099 50.152 70.586 1.00 31.40 H new ATOM 0 HG13 VAL A 33 2.934 50.002 72.149 1.00 31.40 H new ATOM 0 HG21 VAL A 33 1.619 52.486 73.423 1.00 22.54 H new ATOM 0 HG22 VAL A 33 3.361 52.133 73.523 1.00 22.54 H new ATOM 0 HG23 VAL A 33 2.805 53.691 72.867 1.00 22.54 H new ATOM 501 N LYS A 34 4.985 54.279 71.476 1.00 10.23 N ATOM 502 CA LYS A 34 5.311 55.698 71.383 1.00 13.33 C ATOM 503 C LYS A 34 6.058 56.000 70.089 1.00 61.14 C ATOM 504 O LYS A 34 5.820 57.025 69.449 1.00 24.13 O ATOM 505 CB LYS A 34 6.155 56.127 72.586 1.00 44.00 C ATOM 506 CG LYS A 34 6.879 57.447 72.380 1.00 5.41 C ATOM 507 CD LYS A 34 7.936 57.675 73.448 1.00 30.34 C ATOM 508 CE LYS A 34 9.099 58.498 72.914 1.00 1.44 C ATOM 509 NZ LYS A 34 8.775 59.950 72.869 1.00 33.43 N ATOM 0 H LYS A 34 5.449 53.789 72.241 1.00 10.23 H new ATOM 0 HA LYS A 34 4.378 56.262 71.382 1.00 13.33 H new ATOM 0 HB2 LYS A 34 5.510 56.208 73.461 1.00 44.00 H new ATOM 0 HB3 LYS A 34 6.888 55.350 72.801 1.00 44.00 H new ATOM 0 HG2 LYS A 34 7.347 57.457 71.396 1.00 5.41 H new ATOM 0 HG3 LYS A 34 6.159 58.265 72.399 1.00 5.41 H new ATOM 0 HD2 LYS A 34 7.489 58.186 74.301 1.00 30.34 H new ATOM 0 HD3 LYS A 34 8.304 56.714 73.808 1.00 30.34 H new ATOM 0 HE2 LYS A 34 9.975 58.341 73.544 1.00 1.44 H new ATOM 0 HE3 LYS A 34 9.359 58.153 71.913 1.00 1.44 H new ATOM 0 HZ1 LYS A 34 9.592 60.477 72.500 1.00 33.43 H new ATOM 0 HZ2 LYS A 34 7.955 60.104 72.248 1.00 33.43 H new ATOM 0 HZ3 LYS A 34 8.551 60.286 73.828 1.00 33.43 H new ATOM 523 N VAL A 35 6.964 55.104 69.709 1.00 13.22 N ATOM 524 CA VAL A 35 7.744 55.274 68.490 1.00 72.34 C ATOM 525 C VAL A 35 6.885 55.043 67.251 1.00 51.44 C ATOM 526 O VAL A 35 7.098 55.668 66.213 1.00 22.50 O ATOM 527 CB VAL A 35 8.946 54.313 68.454 1.00 50.53 C ATOM 528 CG1 VAL A 35 9.727 54.384 69.758 1.00 60.23 C ATOM 529 CG2 VAL A 35 8.483 52.890 68.179 1.00 55.13 C ATOM 0 H VAL A 35 7.175 54.252 70.229 1.00 13.22 H new ATOM 0 HA VAL A 35 8.110 56.301 68.489 1.00 72.34 H new ATOM 0 HB VAL A 35 9.608 54.619 67.644 1.00 50.53 H new ATOM 0 HG11 VAL A 35 10.573 53.698 69.713 1.00 60.23 H new ATOM 0 HG12 VAL A 35 10.092 55.400 69.909 1.00 60.23 H new ATOM 0 HG13 VAL A 35 9.077 54.105 70.587 1.00 60.23 H new ATOM 0 HG21 VAL A 35 9.346 52.224 68.157 1.00 55.13 H new ATOM 0 HG22 VAL A 35 7.799 52.572 68.966 1.00 55.13 H new ATOM 0 HG23 VAL A 35 7.972 52.853 67.217 1.00 55.13 H new ATOM 539 N TRP A 36 5.917 54.143 67.370 1.00 31.21 N ATOM 540 CA TRP A 36 5.024 53.830 66.259 1.00 65.14 C ATOM 541 C TRP A 36 4.552 55.102 65.564 1.00 50.23 C ATOM 542 O TRP A 36 4.209 55.084 64.382 1.00 42.32 O ATOM 543 CB TRP A 36 3.820 53.028 66.755 1.00 63.02 C ATOM 544 CG TRP A 36 2.590 53.229 65.924 1.00 62.04 C ATOM 545 CD1 TRP A 36 2.451 52.971 64.590 1.00 24.44 C ATOM 546 CD2 TRP A 36 1.326 53.731 66.371 1.00 71.33 C ATOM 547 NE1 TRP A 36 1.177 53.283 64.181 1.00 52.12 N ATOM 548 CE2 TRP A 36 0.467 53.750 65.255 1.00 72.21 C ATOM 549 CE3 TRP A 36 0.836 54.164 67.606 1.00 63.53 C ATOM 550 CZ2 TRP A 36 -0.852 54.187 65.339 1.00 54.21 C ATOM 551 CZ3 TRP A 36 -0.473 54.598 67.688 1.00 22.14 C ATOM 552 CH2 TRP A 36 -1.306 54.606 66.561 1.00 62.10 C ATOM 0 H TRP A 36 5.729 53.617 68.223 1.00 31.21 H new ATOM 0 HA TRP A 36 5.579 53.230 65.538 1.00 65.14 H new ATOM 0 HB2 TRP A 36 4.076 51.969 66.762 1.00 63.02 H new ATOM 0 HB3 TRP A 36 3.604 53.310 67.785 1.00 63.02 H new ATOM 0 HD1 TRP A 36 3.228 52.579 63.951 1.00 24.44 H new ATOM 0 HE1 TRP A 36 0.818 53.183 63.231 1.00 52.12 H new ATOM 0 HE3 TRP A 36 1.469 54.159 68.481 1.00 63.53 H new ATOM 0 HZ2 TRP A 36 -1.495 54.195 64.471 1.00 54.21 H new ATOM 0 HZ3 TRP A 36 -0.861 54.937 68.637 1.00 22.14 H new ATOM 0 HH2 TRP A 36 -2.325 54.949 66.658 1.00 62.10 H new ATOM 563 N MET A 37 4.538 56.205 66.305 1.00 13.20 N ATOM 564 CA MET A 37 4.109 57.488 65.759 1.00 1.35 C ATOM 565 C MET A 37 5.201 58.101 64.889 1.00 44.20 C ATOM 566 O MET A 37 4.982 58.386 63.711 1.00 40.32 O ATOM 567 CB MET A 37 3.740 58.450 66.888 1.00 50.54 C ATOM 568 CG MET A 37 2.431 59.187 66.656 1.00 54.44 C ATOM 569 SD MET A 37 0.988 58.140 66.923 1.00 2.42 S ATOM 570 CE MET A 37 1.374 57.431 68.522 1.00 54.11 C ATOM 0 H MET A 37 4.819 56.237 67.285 1.00 13.20 H new ATOM 0 HA MET A 37 3.230 57.314 65.139 1.00 1.35 H new ATOM 0 HB2 MET A 37 3.673 57.892 67.822 1.00 50.54 H new ATOM 0 HB3 MET A 37 4.541 59.179 67.009 1.00 50.54 H new ATOM 0 HG2 MET A 37 2.380 60.047 67.324 1.00 54.44 H new ATOM 0 HG3 MET A 37 2.411 59.573 65.637 1.00 54.44 H new ATOM 0 HE1 MET A 37 0.461 57.057 68.984 1.00 54.11 H new ATOM 0 HE2 MET A 37 2.079 56.610 68.395 1.00 54.11 H new ATOM 0 HE3 MET A 37 1.817 58.195 69.161 1.00 54.11 H new ATOM 580 N GLN A 38 6.377 58.301 65.476 1.00 2.21 N ATOM 581 CA GLN A 38 7.503 58.881 64.753 1.00 2.05 C ATOM 582 C GLN A 38 7.799 58.091 63.482 1.00 11.04 C ATOM 583 O GLN A 38 8.235 58.653 62.478 1.00 43.31 O ATOM 584 CB GLN A 38 8.744 58.919 65.646 1.00 3.22 C ATOM 585 CG GLN A 38 9.450 57.578 65.762 1.00 43.10 C ATOM 586 CD GLN A 38 10.865 57.708 66.291 1.00 43.43 C ATOM 587 OE1 GLN A 38 11.310 58.800 66.644 1.00 64.34 O ATOM 588 NE2 GLN A 38 11.580 56.590 66.350 1.00 52.25 N ATOM 0 H GLN A 38 6.575 58.070 66.450 1.00 2.21 H new ATOM 0 HA GLN A 38 7.236 59.900 64.471 1.00 2.05 H new ATOM 0 HB2 GLN A 38 9.443 59.656 65.251 1.00 3.22 H new ATOM 0 HB3 GLN A 38 8.455 59.256 66.642 1.00 3.22 H new ATOM 0 HG2 GLN A 38 8.878 56.926 66.422 1.00 43.10 H new ATOM 0 HG3 GLN A 38 9.474 57.099 64.783 1.00 43.10 H new ATOM 0 HE21 GLN A 38 11.171 55.706 66.047 1.00 52.25 H new ATOM 0 HE22 GLN A 38 12.538 56.615 66.699 1.00 52.25 H new ATOM 597 N ASN A 39 7.560 56.784 63.534 1.00 72.42 N ATOM 598 CA ASN A 39 7.802 55.917 62.387 1.00 62.24 C ATOM 599 C ASN A 39 6.994 56.376 61.177 1.00 52.33 C ATOM 600 O ASN A 39 7.520 56.475 60.067 1.00 24.02 O ATOM 601 CB ASN A 39 7.447 54.469 62.732 1.00 33.23 C ATOM 602 CG ASN A 39 8.661 53.657 63.139 1.00 1.05 C ATOM 603 OD1 ASN A 39 9.655 54.203 63.615 1.00 41.20 O ATOM 604 ND2 ASN A 39 8.583 52.345 62.951 1.00 3.30 N ATOM 0 H ASN A 39 7.199 56.303 64.358 1.00 72.42 H new ATOM 0 HA ASN A 39 8.861 55.975 62.137 1.00 62.24 H new ATOM 0 HB2 ASN A 39 6.719 54.460 63.543 1.00 33.23 H new ATOM 0 HB3 ASN A 39 6.971 53.999 61.871 1.00 33.23 H new ATOM 0 HD21 ASN A 39 9.368 51.746 63.205 1.00 3.30 H new ATOM 0 HD22 ASN A 39 7.738 51.936 62.553 1.00 3.30 H new ATOM 611 N LEU A 40 5.716 56.658 61.399 1.00 22.35 N ATOM 612 CA LEU A 40 4.835 57.108 60.327 1.00 75.50 C ATOM 613 C LEU A 40 4.991 58.606 60.086 1.00 71.14 C ATOM 614 O LEU A 40 4.645 59.113 59.020 1.00 23.25 O ATOM 615 CB LEU A 40 3.378 56.784 60.667 1.00 55.35 C ATOM 616 CG LEU A 40 3.158 55.862 61.867 1.00 24.50 C ATOM 617 CD1 LEU A 40 1.682 55.532 62.023 1.00 34.50 C ATOM 618 CD2 LEU A 40 3.978 54.588 61.717 1.00 61.42 C ATOM 0 H LEU A 40 5.266 56.583 62.311 1.00 22.35 H new ATOM 0 HA LEU A 40 5.115 56.581 59.415 1.00 75.50 H new ATOM 0 HB2 LEU A 40 2.852 57.721 60.853 1.00 55.35 H new ATOM 0 HB3 LEU A 40 2.915 56.326 59.793 1.00 55.35 H new ATOM 0 HG LEU A 40 3.490 56.381 62.766 1.00 24.50 H new ATOM 0 HD11 LEU A 40 1.545 54.875 62.882 1.00 34.50 H new ATOM 0 HD12 LEU A 40 1.118 56.452 62.176 1.00 34.50 H new ATOM 0 HD13 LEU A 40 1.324 55.032 61.123 1.00 34.50 H new ATOM 0 HD21 LEU A 40 3.810 53.943 62.580 1.00 61.42 H new ATOM 0 HD22 LEU A 40 3.676 54.066 60.809 1.00 61.42 H new ATOM 0 HD23 LEU A 40 5.036 54.842 61.655 1.00 61.42 H new ATOM 630 N GLU A 41 5.519 59.309 61.084 1.00 35.24 N ATOM 631 CA GLU A 41 5.722 60.748 60.979 1.00 72.42 C ATOM 632 C GLU A 41 6.773 61.074 59.921 1.00 23.25 C ATOM 633 O GLU A 41 6.563 61.935 59.067 1.00 64.33 O ATOM 634 CB GLU A 41 6.149 61.326 62.331 1.00 35.33 C ATOM 635 CG GLU A 41 5.709 62.765 62.544 1.00 52.41 C ATOM 636 CD GLU A 41 4.203 62.929 62.485 1.00 34.45 C ATOM 637 OE1 GLU A 41 3.489 62.082 63.061 1.00 71.40 O ATOM 638 OE2 GLU A 41 3.738 63.907 61.861 1.00 12.10 O ATOM 0 H GLU A 41 5.813 58.905 61.973 1.00 35.24 H new ATOM 0 HA GLU A 41 4.777 61.201 60.680 1.00 72.42 H new ATOM 0 HB2 GLU A 41 5.737 60.707 63.128 1.00 35.33 H new ATOM 0 HB3 GLU A 41 7.234 61.271 62.414 1.00 35.33 H new ATOM 0 HG2 GLU A 41 6.071 63.112 63.512 1.00 52.41 H new ATOM 0 HG3 GLU A 41 6.170 63.398 61.786 1.00 52.41 H new ATOM 645 N ASP A 42 7.903 60.379 59.986 1.00 23.34 N ATOM 646 CA ASP A 42 8.988 60.592 59.033 1.00 15.24 C ATOM 647 C ASP A 42 8.730 59.828 57.738 1.00 61.43 C ATOM 648 O ASP A 42 9.285 60.160 56.689 1.00 21.30 O ATOM 649 CB ASP A 42 10.321 60.157 59.641 1.00 40.45 C ATOM 650 CG ASP A 42 11.491 60.412 58.712 1.00 51.31 C ATOM 651 OD1 ASP A 42 11.951 61.572 58.640 1.00 30.34 O ATOM 652 OD2 ASP A 42 11.949 59.452 58.058 1.00 72.44 O ATOM 0 H ASP A 42 8.092 59.663 60.688 1.00 23.34 H new ATOM 0 HA ASP A 42 9.034 61.656 58.802 1.00 15.24 H new ATOM 0 HB2 ASP A 42 10.481 60.691 60.578 1.00 40.45 H new ATOM 0 HB3 ASP A 42 10.277 59.095 59.883 1.00 40.45 H new ATOM 657 N LEU A 43 7.889 58.804 57.818 1.00 33.55 N ATOM 658 CA LEU A 43 7.559 57.991 56.652 1.00 62.41 C ATOM 659 C LEU A 43 6.400 58.604 55.872 1.00 20.01 C ATOM 660 O LEU A 43 6.539 58.938 54.695 1.00 35.41 O ATOM 661 CB LEU A 43 7.202 56.568 57.082 1.00 42.30 C ATOM 662 CG LEU A 43 7.367 55.483 56.017 1.00 64.31 C ATOM 663 CD1 LEU A 43 6.591 55.847 54.761 1.00 72.35 C ATOM 664 CD2 LEU A 43 8.839 55.272 55.694 1.00 2.22 C ATOM 0 H LEU A 43 7.422 58.516 58.678 1.00 33.55 H new ATOM 0 HA LEU A 43 8.434 57.959 56.003 1.00 62.41 H new ATOM 0 HB2 LEU A 43 7.820 56.303 57.940 1.00 42.30 H new ATOM 0 HB3 LEU A 43 6.166 56.562 57.421 1.00 42.30 H new ATOM 0 HG LEU A 43 6.965 54.550 56.411 1.00 64.31 H new ATOM 0 HD11 LEU A 43 6.720 55.064 54.014 1.00 72.35 H new ATOM 0 HD12 LEU A 43 5.533 55.947 55.003 1.00 72.35 H new ATOM 0 HD13 LEU A 43 6.963 56.792 54.364 1.00 72.35 H new ATOM 0 HD21 LEU A 43 8.937 54.496 54.934 1.00 2.22 H new ATOM 0 HD22 LEU A 43 9.266 56.202 55.320 1.00 2.22 H new ATOM 0 HD23 LEU A 43 9.369 54.966 56.596 1.00 2.22 H new ATOM 676 N HIS A 44 5.258 58.749 56.535 1.00 34.40 N ATOM 677 CA HIS A 44 4.075 59.325 55.905 1.00 22.24 C ATOM 678 C HIS A 44 4.444 60.550 55.073 1.00 22.01 C ATOM 679 O HIS A 44 4.025 60.682 53.922 1.00 72.20 O ATOM 680 CB HIS A 44 3.040 59.706 56.964 1.00 62.24 C ATOM 681 CG HIS A 44 1.824 60.376 56.400 1.00 43.42 C ATOM 682 ND1 HIS A 44 1.731 61.740 56.221 1.00 21.23 N ATOM 683 CD2 HIS A 44 0.649 59.860 55.973 1.00 31.12 C ATOM 684 CE1 HIS A 44 0.549 62.034 55.710 1.00 51.23 C ATOM 685 NE2 HIS A 44 -0.127 60.911 55.549 1.00 51.25 N ATOM 0 H HIS A 44 5.126 58.476 57.509 1.00 34.40 H new ATOM 0 HA HIS A 44 3.645 58.574 55.243 1.00 22.24 H new ATOM 0 HB2 HIS A 44 2.734 58.808 57.501 1.00 62.24 H new ATOM 0 HB3 HIS A 44 3.505 60.370 57.693 1.00 62.24 H new ATOM 0 HD2 HIS A 44 0.372 58.816 55.967 1.00 31.12 H new ATOM 0 HE1 HIS A 44 0.195 63.025 55.465 1.00 51.23 H new ATOM 0 HE2 HIS A 44 -1.072 60.836 55.171 1.00 51.25 H new ATOM 693 N THR A 45 5.231 61.444 55.662 1.00 43.24 N ATOM 694 CA THR A 45 5.655 62.658 54.977 1.00 60.24 C ATOM 695 C THR A 45 6.042 62.368 53.531 1.00 11.10 C ATOM 696 O THR A 45 5.821 63.190 52.643 1.00 33.40 O ATOM 697 CB THR A 45 6.850 63.320 55.692 1.00 15.45 C ATOM 698 OG1 THR A 45 6.971 64.686 55.281 1.00 13.31 O ATOM 699 CG2 THR A 45 8.141 62.576 55.389 1.00 1.12 C ATOM 0 H THR A 45 5.588 61.350 56.613 1.00 43.24 H new ATOM 0 HA THR A 45 4.806 63.342 54.994 1.00 60.24 H new ATOM 0 HB THR A 45 6.671 63.280 56.766 1.00 15.45 H new ATOM 0 HG1 THR A 45 7.731 65.100 55.741 1.00 13.31 H new ATOM 0 HG21 THR A 45 8.970 63.061 55.904 1.00 1.12 H new ATOM 0 HG22 THR A 45 8.055 61.544 55.731 1.00 1.12 H new ATOM 0 HG23 THR A 45 8.324 62.588 54.315 1.00 1.12 H new ATOM 707 N ARG A 46 6.619 61.193 53.303 1.00 62.54 N ATOM 708 CA ARG A 46 7.037 60.795 51.964 1.00 2.14 C ATOM 709 C ARG A 46 5.961 59.949 51.289 1.00 21.41 C ATOM 710 O ARG A 46 5.423 60.328 50.247 1.00 10.41 O ATOM 711 CB ARG A 46 8.349 60.012 52.028 1.00 41.21 C ATOM 712 CG ARG A 46 9.264 60.258 50.839 1.00 23.54 C ATOM 713 CD ARG A 46 8.719 59.610 49.575 1.00 24.50 C ATOM 714 NE ARG A 46 8.985 60.418 48.387 1.00 72.14 N ATOM 715 CZ ARG A 46 10.123 60.367 47.703 1.00 13.21 C ATOM 716 NH1 ARG A 46 11.095 59.550 48.087 1.00 74.54 N ATOM 717 NH2 ARG A 46 10.291 61.134 46.634 1.00 31.30 N ATOM 0 H ARG A 46 6.808 60.500 54.027 1.00 62.54 H new ATOM 0 HA ARG A 46 7.189 61.699 51.374 1.00 2.14 H new ATOM 0 HB2 ARG A 46 8.877 60.279 52.943 1.00 41.21 H new ATOM 0 HB3 ARG A 46 8.124 58.947 52.088 1.00 41.21 H new ATOM 0 HG2 ARG A 46 9.376 61.331 50.680 1.00 23.54 H new ATOM 0 HG3 ARG A 46 10.256 59.862 51.054 1.00 23.54 H new ATOM 0 HD2 ARG A 46 9.167 58.624 49.451 1.00 24.50 H new ATOM 0 HD3 ARG A 46 7.644 59.461 49.679 1.00 24.50 H new ATOM 0 HE ARG A 46 8.257 61.056 48.065 1.00 72.14 H new ATOM 0 HH11 ARG A 46 10.970 58.959 48.909 1.00 74.54 H new ATOM 0 HH12 ARG A 46 11.968 59.513 47.560 1.00 74.54 H new ATOM 0 HH21 ARG A 46 9.546 61.764 46.336 1.00 31.30 H new ATOM 0 HH22 ARG A 46 11.165 61.094 46.110 1.00 31.30 H new ATOM 731 N ARG A 47 5.653 58.804 51.886 1.00 14.54 N ATOM 732 CA ARG A 47 4.643 57.904 51.343 1.00 63.51 C ATOM 733 C ARG A 47 3.813 57.278 52.459 1.00 13.42 C ATOM 734 O ARG A 47 4.340 56.676 53.395 1.00 42.23 O ATOM 735 CB ARG A 47 5.304 56.806 50.507 1.00 71.42 C ATOM 736 CG ARG A 47 4.342 56.086 49.576 1.00 12.11 C ATOM 737 CD ARG A 47 5.021 55.686 48.275 1.00 21.41 C ATOM 738 NE ARG A 47 5.278 54.250 48.211 1.00 13.03 N ATOM 739 CZ ARG A 47 4.378 53.360 47.806 1.00 23.11 C ATOM 740 NH1 ARG A 47 3.170 53.757 47.429 1.00 51.43 N ATOM 741 NH2 ARG A 47 4.687 52.070 47.775 1.00 43.43 N ATOM 0 H ARG A 47 6.089 58.476 52.748 1.00 14.54 H new ATOM 0 HA ARG A 47 3.979 58.488 50.705 1.00 63.51 H new ATOM 0 HB2 ARG A 47 6.108 57.245 49.916 1.00 71.42 H new ATOM 0 HB3 ARG A 47 5.762 56.078 51.176 1.00 71.42 H new ATOM 0 HG2 ARG A 47 3.950 55.198 50.072 1.00 12.11 H new ATOM 0 HG3 ARG A 47 3.491 56.732 49.360 1.00 12.11 H new ATOM 0 HD2 ARG A 47 4.394 55.980 47.433 1.00 21.41 H new ATOM 0 HD3 ARG A 47 5.962 56.227 48.176 1.00 21.41 H new ATOM 0 HE ARG A 47 6.198 53.912 48.492 1.00 13.03 H new ATOM 0 HH11 ARG A 47 2.929 54.748 47.449 1.00 51.43 H new ATOM 0 HH12 ARG A 47 2.482 53.071 47.119 1.00 51.43 H new ATOM 0 HH21 ARG A 47 5.616 51.761 48.062 1.00 43.43 H new ATOM 0 HH22 ARG A 47 3.996 51.387 47.464 1.00 43.43 H new ATOM 755 N PRO A 48 2.483 57.422 52.361 1.00 65.03 N ATOM 756 CA PRO A 48 1.552 56.878 53.354 1.00 62.32 C ATOM 757 C PRO A 48 1.488 55.355 53.314 1.00 53.02 C ATOM 758 O PRO A 48 1.662 54.690 54.336 1.00 52.23 O ATOM 759 CB PRO A 48 0.206 57.480 52.945 1.00 35.05 C ATOM 760 CG PRO A 48 0.343 57.763 51.488 1.00 41.21 C ATOM 761 CD PRO A 48 1.786 58.127 51.272 1.00 72.33 C ATOM 0 HA PRO A 48 1.853 57.124 54.373 1.00 62.32 H new ATOM 0 HB2 PRO A 48 -0.613 56.787 53.138 1.00 35.05 H new ATOM 0 HB3 PRO A 48 -0.008 58.390 53.506 1.00 35.05 H new ATOM 0 HG2 PRO A 48 0.067 56.892 50.893 1.00 41.21 H new ATOM 0 HG3 PRO A 48 -0.315 58.578 51.185 1.00 41.21 H new ATOM 0 HD2 PRO A 48 2.140 57.804 50.293 1.00 72.33 H new ATOM 0 HD3 PRO A 48 1.941 59.205 51.327 1.00 72.33 H new ATOM 769 N ASP A 49 1.239 54.808 52.130 1.00 33.23 N ATOM 770 CA ASP A 49 1.153 53.362 51.958 1.00 62.34 C ATOM 771 C ASP A 49 2.336 52.665 52.623 1.00 53.34 C ATOM 772 O ASP A 49 2.229 51.519 53.057 1.00 14.35 O ATOM 773 CB ASP A 49 1.106 53.006 50.471 1.00 72.32 C ATOM 774 CG ASP A 49 0.699 51.565 50.234 1.00 50.41 C ATOM 775 OD1 ASP A 49 1.098 50.696 51.037 1.00 12.33 O ATOM 776 OD2 ASP A 49 -0.018 51.307 49.245 1.00 14.12 O ATOM 0 H ASP A 49 1.093 55.344 51.274 1.00 33.23 H new ATOM 0 HA ASP A 49 0.236 53.018 52.435 1.00 62.34 H new ATOM 0 HB2 ASP A 49 0.403 53.667 49.964 1.00 72.32 H new ATOM 0 HB3 ASP A 49 2.086 53.182 50.027 1.00 72.32 H new ATOM 781 N GLU A 50 3.463 53.366 52.699 1.00 0.32 N ATOM 782 CA GLU A 50 4.666 52.812 53.310 1.00 64.33 C ATOM 783 C GLU A 50 4.741 53.176 54.790 1.00 14.22 C ATOM 784 O GLU A 50 5.473 52.551 55.558 1.00 4.04 O ATOM 785 CB GLU A 50 5.914 53.322 52.585 1.00 22.15 C ATOM 786 CG GLU A 50 6.197 52.598 51.279 1.00 34.40 C ATOM 787 CD GLU A 50 7.235 51.505 51.431 1.00 24.45 C ATOM 788 OE1 GLU A 50 6.849 50.357 51.731 1.00 5.05 O ATOM 789 OE2 GLU A 50 8.435 51.798 51.247 1.00 52.41 O ATOM 0 H GLU A 50 3.568 54.317 52.346 1.00 0.32 H new ATOM 0 HA GLU A 50 4.621 51.727 53.222 1.00 64.33 H new ATOM 0 HB2 GLU A 50 5.797 54.387 52.383 1.00 22.15 H new ATOM 0 HB3 GLU A 50 6.776 53.216 53.244 1.00 22.15 H new ATOM 0 HG2 GLU A 50 5.271 52.165 50.900 1.00 34.40 H new ATOM 0 HG3 GLU A 50 6.539 53.318 50.536 1.00 34.40 H new ATOM 796 N PHE A 51 3.979 54.191 55.184 1.00 71.35 N ATOM 797 CA PHE A 51 3.960 54.640 56.571 1.00 1.24 C ATOM 798 C PHE A 51 3.863 53.453 57.525 1.00 11.21 C ATOM 799 O PHE A 51 4.496 53.436 58.581 1.00 3.43 O ATOM 800 CB PHE A 51 2.787 55.593 56.804 1.00 14.11 C ATOM 801 CG PHE A 51 1.604 54.940 57.461 1.00 30.13 C ATOM 802 CD1 PHE A 51 1.716 54.387 58.727 1.00 22.14 C ATOM 803 CD2 PHE A 51 0.381 54.879 56.813 1.00 74.02 C ATOM 804 CE1 PHE A 51 0.630 53.784 59.333 1.00 63.52 C ATOM 805 CE2 PHE A 51 -0.709 54.278 57.415 1.00 65.12 C ATOM 806 CZ PHE A 51 -0.584 53.731 58.677 1.00 71.24 C ATOM 0 H PHE A 51 3.366 54.718 54.562 1.00 71.35 H new ATOM 0 HA PHE A 51 4.893 55.168 56.769 1.00 1.24 H new ATOM 0 HB2 PHE A 51 3.123 56.425 57.423 1.00 14.11 H new ATOM 0 HB3 PHE A 51 2.475 56.013 55.848 1.00 14.11 H new ATOM 0 HD1 PHE A 51 2.662 54.428 59.246 1.00 22.14 H new ATOM 0 HD2 PHE A 51 0.278 55.306 55.826 1.00 74.02 H new ATOM 0 HE1 PHE A 51 0.731 53.355 60.319 1.00 63.52 H new ATOM 0 HE2 PHE A 51 -1.657 54.236 56.899 1.00 65.12 H new ATOM 0 HZ PHE A 51 -1.434 53.263 59.150 1.00 71.24 H new ATOM 816 N THR A 52 3.064 52.460 57.145 1.00 12.45 N ATOM 817 CA THR A 52 2.881 51.270 57.967 1.00 23.42 C ATOM 818 C THR A 52 4.086 50.342 57.865 1.00 30.21 C ATOM 819 O THR A 52 4.343 49.543 58.766 1.00 24.31 O ATOM 820 CB THR A 52 1.614 50.494 57.558 1.00 23.20 C ATOM 821 OG1 THR A 52 1.775 49.952 56.242 1.00 43.12 O ATOM 822 CG2 THR A 52 0.392 51.398 57.593 1.00 30.12 C ATOM 0 H THR A 52 2.534 52.457 56.274 1.00 12.45 H new ATOM 0 HA THR A 52 2.773 51.610 58.997 1.00 23.42 H new ATOM 0 HB THR A 52 1.466 49.682 58.270 1.00 23.20 H new ATOM 0 HG1 THR A 52 0.966 49.459 55.990 1.00 43.12 H new ATOM 0 HG21 THR A 52 -0.490 50.829 57.301 1.00 30.12 H new ATOM 0 HG22 THR A 52 0.255 51.786 58.602 1.00 30.12 H new ATOM 0 HG23 THR A 52 0.534 52.228 56.901 1.00 30.12 H new ATOM 830 N ALA A 53 4.823 50.453 56.764 1.00 15.22 N ATOM 831 CA ALA A 53 6.002 49.626 56.547 1.00 1.42 C ATOM 832 C ALA A 53 7.012 49.803 57.676 1.00 70.10 C ATOM 833 O ALA A 53 7.890 48.962 57.874 1.00 55.12 O ATOM 834 CB ALA A 53 6.641 49.959 55.207 1.00 64.01 C ATOM 0 H ALA A 53 4.623 51.109 56.009 1.00 15.22 H new ATOM 0 HA ALA A 53 5.687 48.583 56.537 1.00 1.42 H new ATOM 0 HB1 ALA A 53 7.521 49.333 55.058 1.00 64.01 H new ATOM 0 HB2 ALA A 53 5.925 49.774 54.406 1.00 64.01 H new ATOM 0 HB3 ALA A 53 6.936 51.008 55.195 1.00 64.01 H new ATOM 840 N ARG A 54 6.883 50.902 58.412 1.00 53.54 N ATOM 841 CA ARG A 54 7.786 51.190 59.520 1.00 12.33 C ATOM 842 C ARG A 54 7.437 50.344 60.741 1.00 21.03 C ATOM 843 O ARG A 54 8.206 49.471 61.145 1.00 51.45 O ATOM 844 CB ARG A 54 7.726 52.675 59.882 1.00 10.41 C ATOM 845 CG ARG A 54 8.258 53.590 58.792 1.00 24.31 C ATOM 846 CD ARG A 54 9.768 53.475 58.655 1.00 4.52 C ATOM 847 NE ARG A 54 10.154 52.444 57.694 1.00 51.13 N ATOM 848 CZ ARG A 54 11.331 51.827 57.709 1.00 73.31 C ATOM 849 NH1 ARG A 54 12.232 52.135 58.632 1.00 33.42 N ATOM 850 NH2 ARG A 54 11.607 50.901 56.800 1.00 54.22 N ATOM 0 H ARG A 54 6.162 51.608 58.261 1.00 53.54 H new ATOM 0 HA ARG A 54 8.799 50.940 59.204 1.00 12.33 H new ATOM 0 HB2 ARG A 54 6.693 52.946 60.099 1.00 10.41 H new ATOM 0 HB3 ARG A 54 8.298 52.841 60.795 1.00 10.41 H new ATOM 0 HG2 ARG A 54 7.785 53.339 57.842 1.00 24.31 H new ATOM 0 HG3 ARG A 54 7.990 54.622 59.019 1.00 24.31 H new ATOM 0 HD2 ARG A 54 10.178 54.435 58.341 1.00 4.52 H new ATOM 0 HD3 ARG A 54 10.204 53.246 59.627 1.00 4.52 H new ATOM 0 HE ARG A 54 9.483 52.183 56.972 1.00 51.13 H new ATOM 0 HH11 ARG A 54 12.022 52.847 59.332 1.00 33.42 H new ATOM 0 HH12 ARG A 54 13.135 51.660 58.642 1.00 33.42 H new ATOM 0 HH21 ARG A 54 10.916 50.662 56.089 1.00 54.22 H new ATOM 0 HH22 ARG A 54 12.511 50.428 56.812 1.00 54.22 H new ATOM 864 N LEU A 55 6.272 50.606 61.323 1.00 61.33 N ATOM 865 CA LEU A 55 5.821 49.870 62.498 1.00 32.23 C ATOM 866 C LEU A 55 5.399 48.453 62.124 1.00 24.23 C ATOM 867 O LEU A 55 5.318 47.573 62.980 1.00 43.11 O ATOM 868 CB LEU A 55 4.655 50.601 63.166 1.00 30.45 C ATOM 869 CG LEU A 55 3.261 50.274 62.629 1.00 2.02 C ATOM 870 CD1 LEU A 55 3.188 50.544 61.134 1.00 33.24 C ATOM 871 CD2 LEU A 55 2.901 48.826 62.929 1.00 12.11 C ATOM 0 H LEU A 55 5.622 51.323 61.000 1.00 61.33 H new ATOM 0 HA LEU A 55 6.653 49.809 63.199 1.00 32.23 H new ATOM 0 HB2 LEU A 55 4.674 50.375 64.232 1.00 30.45 H new ATOM 0 HB3 LEU A 55 4.819 51.674 63.065 1.00 30.45 H new ATOM 0 HG LEU A 55 2.539 50.919 63.130 1.00 2.02 H new ATOM 0 HD11 LEU A 55 2.189 50.306 60.770 1.00 33.24 H new ATOM 0 HD12 LEU A 55 3.402 51.596 60.943 1.00 33.24 H new ATOM 0 HD13 LEU A 55 3.920 49.925 60.616 1.00 33.24 H new ATOM 0 HD21 LEU A 55 1.906 48.610 62.540 1.00 12.11 H new ATOM 0 HD22 LEU A 55 3.627 48.165 62.455 1.00 12.11 H new ATOM 0 HD23 LEU A 55 2.912 48.664 64.007 1.00 12.11 H new ATOM 883 N GLN A 56 5.134 48.240 60.838 1.00 60.23 N ATOM 884 CA GLN A 56 4.723 46.929 60.350 1.00 11.42 C ATOM 885 C GLN A 56 5.777 45.874 60.670 1.00 21.04 C ATOM 886 O GLN A 56 5.448 44.726 60.971 1.00 71.33 O ATOM 887 CB GLN A 56 4.474 46.978 58.842 1.00 30.11 C ATOM 888 CG GLN A 56 4.339 45.604 58.203 1.00 75.32 C ATOM 889 CD GLN A 56 2.895 45.155 58.086 1.00 63.35 C ATOM 890 OE1 GLN A 56 2.031 45.604 58.837 1.00 74.03 O ATOM 891 NE2 GLN A 56 2.628 44.265 57.138 1.00 3.33 N ATOM 0 H GLN A 56 5.197 48.958 60.116 1.00 60.23 H new ATOM 0 HA GLN A 56 3.797 46.655 60.855 1.00 11.42 H new ATOM 0 HB2 GLN A 56 3.566 47.550 58.650 1.00 30.11 H new ATOM 0 HB3 GLN A 56 5.294 47.513 58.364 1.00 30.11 H new ATOM 0 HG2 GLN A 56 4.791 45.622 57.212 1.00 75.32 H new ATOM 0 HG3 GLN A 56 4.895 44.876 58.794 1.00 75.32 H new ATOM 0 HE21 GLN A 56 3.377 43.920 56.537 1.00 3.33 H new ATOM 0 HE22 GLN A 56 1.674 43.927 57.010 1.00 3.33 H new ATOM 900 N GLN A 57 7.044 46.270 60.601 1.00 55.44 N ATOM 901 CA GLN A 57 8.146 45.357 60.883 1.00 31.52 C ATOM 902 C GLN A 57 8.253 45.077 62.378 1.00 74.32 C ATOM 903 O GLN A 57 8.650 43.988 62.789 1.00 22.20 O ATOM 904 CB GLN A 57 9.462 45.939 60.365 1.00 51.33 C ATOM 905 CG GLN A 57 9.904 45.353 59.034 1.00 31.30 C ATOM 906 CD GLN A 57 10.874 46.254 58.294 1.00 24.14 C ATOM 907 OE1 GLN A 57 10.570 47.413 58.010 1.00 14.21 O ATOM 908 NE2 GLN A 57 12.050 45.723 57.976 1.00 35.54 N ATOM 0 H GLN A 57 7.333 47.216 60.352 1.00 55.44 H new ATOM 0 HA GLN A 57 7.946 44.416 60.370 1.00 31.52 H new ATOM 0 HB2 GLN A 57 9.356 47.019 60.260 1.00 51.33 H new ATOM 0 HB3 GLN A 57 10.243 45.766 61.106 1.00 51.33 H new ATOM 0 HG2 GLN A 57 10.373 44.384 59.205 1.00 31.30 H new ATOM 0 HG3 GLN A 57 9.028 45.178 58.410 1.00 31.30 H new ATOM 0 HE21 GLN A 57 12.260 44.758 58.231 1.00 35.54 H new ATOM 0 HE22 GLN A 57 12.743 46.280 57.477 1.00 35.54 H new ATOM 917 N SER A 58 7.895 46.069 63.188 1.00 61.14 N ATOM 918 CA SER A 58 7.955 45.932 64.638 1.00 33.12 C ATOM 919 C SER A 58 6.813 45.057 65.148 1.00 43.50 C ATOM 920 O SER A 58 7.041 44.003 65.742 1.00 14.15 O ATOM 921 CB SER A 58 7.896 47.307 65.306 1.00 3.03 C ATOM 922 OG SER A 58 9.112 48.012 65.127 1.00 72.45 O ATOM 0 H SER A 58 7.560 46.976 62.864 1.00 61.14 H new ATOM 0 HA SER A 58 8.900 45.453 64.894 1.00 33.12 H new ATOM 0 HB2 SER A 58 7.072 47.884 64.886 1.00 3.03 H new ATOM 0 HB3 SER A 58 7.693 47.190 66.370 1.00 3.03 H new ATOM 0 HG SER A 58 9.049 48.888 65.561 1.00 72.45 H new ATOM 928 N THR A 59 5.584 45.503 64.912 1.00 62.21 N ATOM 929 CA THR A 59 4.405 44.764 65.348 1.00 44.44 C ATOM 930 C THR A 59 4.564 43.271 65.082 1.00 25.04 C ATOM 931 O THR A 59 3.902 42.444 65.709 1.00 73.25 O ATOM 932 CB THR A 59 3.133 45.268 64.642 1.00 23.33 C ATOM 933 OG1 THR A 59 1.974 44.681 65.244 1.00 74.11 O ATOM 934 CG2 THR A 59 3.167 44.929 63.159 1.00 5.15 C ATOM 0 H THR A 59 5.378 46.373 64.421 1.00 62.21 H new ATOM 0 HA THR A 59 4.305 44.931 66.421 1.00 44.44 H new ATOM 0 HB THR A 59 3.089 46.352 64.750 1.00 23.33 H new ATOM 0 HG1 THR A 59 1.169 45.008 64.791 1.00 74.11 H new ATOM 0 HG21 THR A 59 2.258 45.295 62.681 1.00 5.15 H new ATOM 0 HG22 THR A 59 4.035 45.401 62.698 1.00 5.15 H new ATOM 0 HG23 THR A 59 3.233 43.848 63.034 1.00 5.15 H new ATOM 942 N ASP A 60 5.445 42.932 64.147 1.00 61.11 N ATOM 943 CA ASP A 60 5.692 41.537 63.799 1.00 32.52 C ATOM 944 C ASP A 60 6.070 40.727 65.035 1.00 64.21 C ATOM 945 O ASP A 60 5.477 39.685 65.311 1.00 53.21 O ATOM 946 CB ASP A 60 6.802 41.440 62.750 1.00 2.34 C ATOM 947 CG ASP A 60 6.345 40.735 61.488 1.00 15.20 C ATOM 948 OD1 ASP A 60 5.521 39.802 61.594 1.00 65.34 O ATOM 949 OD2 ASP A 60 6.811 41.118 60.394 1.00 1.42 O ATOM 0 H ASP A 60 6.000 43.604 63.617 1.00 61.11 H new ATOM 0 HA ASP A 60 4.773 41.123 63.384 1.00 32.52 H new ATOM 0 HB2 ASP A 60 7.148 42.442 62.498 1.00 2.34 H new ATOM 0 HB3 ASP A 60 7.653 40.906 63.173 1.00 2.34 H new ATOM 954 N ALA A 61 7.063 41.213 65.773 1.00 14.05 N ATOM 955 CA ALA A 61 7.519 40.535 66.980 1.00 62.13 C ATOM 956 C ALA A 61 6.343 40.141 67.868 1.00 75.14 C ATOM 957 O ALA A 61 6.394 39.134 68.574 1.00 23.01 O ATOM 958 CB ALA A 61 8.490 41.420 67.748 1.00 31.34 C ATOM 0 H ALA A 61 7.567 42.073 65.556 1.00 14.05 H new ATOM 0 HA ALA A 61 8.035 39.623 66.681 1.00 62.13 H new ATOM 0 HB1 ALA A 61 8.822 40.901 68.647 1.00 31.34 H new ATOM 0 HB2 ALA A 61 9.352 41.645 67.120 1.00 31.34 H new ATOM 0 HB3 ALA A 61 7.992 42.348 68.028 1.00 31.34 H new ATOM 964 N LEU A 62 5.285 40.944 67.829 1.00 34.33 N ATOM 965 CA LEU A 62 4.095 40.680 68.630 1.00 54.11 C ATOM 966 C LEU A 62 3.137 39.748 67.894 1.00 60.25 C ATOM 967 O LEU A 62 2.688 38.743 68.445 1.00 21.44 O ATOM 968 CB LEU A 62 3.386 41.992 68.973 1.00 12.11 C ATOM 969 CG LEU A 62 2.345 41.919 70.091 1.00 73.41 C ATOM 970 CD1 LEU A 62 2.671 42.921 71.189 1.00 5.22 C ATOM 971 CD2 LEU A 62 0.949 42.169 69.537 1.00 1.31 C ATOM 0 H LEU A 62 5.227 41.783 67.251 1.00 34.33 H new ATOM 0 HA LEU A 62 4.409 40.192 69.552 1.00 54.11 H new ATOM 0 HB2 LEU A 62 4.140 42.727 69.253 1.00 12.11 H new ATOM 0 HB3 LEU A 62 2.898 42.364 68.072 1.00 12.11 H new ATOM 0 HG LEU A 62 2.370 40.918 70.521 1.00 73.41 H new ATOM 0 HD11 LEU A 62 1.920 42.855 71.976 1.00 5.22 H new ATOM 0 HD12 LEU A 62 3.653 42.698 71.605 1.00 5.22 H new ATOM 0 HD13 LEU A 62 2.673 43.929 70.773 1.00 5.22 H new ATOM 0 HD21 LEU A 62 0.221 42.113 70.346 1.00 1.31 H new ATOM 0 HD22 LEU A 62 0.910 43.158 69.081 1.00 1.31 H new ATOM 0 HD23 LEU A 62 0.715 41.414 68.786 1.00 1.31 H new ATOM 983 N TYR A 63 2.832 40.088 66.647 1.00 61.20 N ATOM 984 CA TYR A 63 1.928 39.283 65.835 1.00 33.15 C ATOM 985 C TYR A 63 2.246 37.797 65.977 1.00 11.01 C ATOM 986 O TYR A 63 1.361 36.984 66.242 1.00 51.31 O ATOM 987 CB TYR A 63 2.021 39.698 64.366 1.00 52.34 C ATOM 988 CG TYR A 63 1.850 38.548 63.399 1.00 41.41 C ATOM 989 CD1 TYR A 63 2.931 37.755 63.034 1.00 45.11 C ATOM 990 CD2 TYR A 63 0.607 38.253 62.852 1.00 63.22 C ATOM 991 CE1 TYR A 63 2.780 36.704 62.151 1.00 4.35 C ATOM 992 CE2 TYR A 63 0.447 37.203 61.969 1.00 23.14 C ATOM 993 CZ TYR A 63 1.535 36.431 61.622 1.00 63.55 C ATOM 994 OH TYR A 63 1.380 35.385 60.742 1.00 30.13 O ATOM 0 H TYR A 63 3.198 40.916 66.176 1.00 61.20 H new ATOM 0 HA TYR A 63 0.912 39.454 66.190 1.00 33.15 H new ATOM 0 HB2 TYR A 63 1.259 40.450 64.161 1.00 52.34 H new ATOM 0 HB3 TYR A 63 2.989 40.168 64.191 1.00 52.34 H new ATOM 0 HD1 TYR A 63 3.906 37.964 63.448 1.00 45.11 H new ATOM 0 HD2 TYR A 63 -0.248 38.855 63.122 1.00 63.22 H new ATOM 0 HE1 TYR A 63 3.631 36.099 61.876 1.00 4.35 H new ATOM 0 HE2 TYR A 63 -0.526 36.988 61.552 1.00 23.14 H new ATOM 0 HH TYR A 63 0.442 35.328 60.464 1.00 30.13 H new ATOM 1004 N SER A 64 3.517 37.451 65.798 1.00 62.03 N ATOM 1005 CA SER A 64 3.954 36.064 65.902 1.00 72.25 C ATOM 1006 C SER A 64 3.990 35.614 67.359 1.00 1.13 C ATOM 1007 O SER A 64 3.615 34.486 67.683 1.00 74.53 O ATOM 1008 CB SER A 64 5.336 35.893 65.269 1.00 51.13 C ATOM 1009 OG SER A 64 5.617 34.528 65.018 1.00 25.43 O ATOM 0 H SER A 64 4.262 38.113 65.580 1.00 62.03 H new ATOM 0 HA SER A 64 3.238 35.442 65.365 1.00 72.25 H new ATOM 0 HB2 SER A 64 5.384 36.455 64.336 1.00 51.13 H new ATOM 0 HB3 SER A 64 6.096 36.308 65.931 1.00 51.13 H new ATOM 0 HG SER A 64 6.505 34.446 64.612 1.00 25.43 H new ATOM 1015 N HIS A 65 4.445 36.504 68.236 1.00 30.11 N ATOM 1016 CA HIS A 65 4.530 36.200 69.660 1.00 44.12 C ATOM 1017 C HIS A 65 3.185 35.718 70.194 1.00 51.30 C ATOM 1018 O HIS A 65 3.104 34.686 70.861 1.00 32.43 O ATOM 1019 CB HIS A 65 4.990 37.432 70.439 1.00 44.42 C ATOM 1020 CG HIS A 65 4.932 37.256 71.926 1.00 44.21 C ATOM 1021 ND1 HIS A 65 5.920 36.619 72.648 1.00 24.25 N ATOM 1022 CD2 HIS A 65 3.999 37.639 72.827 1.00 73.21 C ATOM 1023 CE1 HIS A 65 5.596 36.617 73.927 1.00 12.23 C ATOM 1024 NE2 HIS A 65 4.434 37.231 74.064 1.00 71.41 N ATOM 0 H HIS A 65 4.760 37.441 67.985 1.00 30.11 H new ATOM 0 HA HIS A 65 5.260 35.402 69.793 1.00 44.12 H new ATOM 0 HB2 HIS A 65 6.013 37.674 70.150 1.00 44.42 H new ATOM 0 HB3 HIS A 65 4.369 38.283 70.157 1.00 44.42 H new ATOM 0 HD1 HIS A 65 6.769 36.213 72.254 1.00 24.25 H new ATOM 0 HD2 HIS A 65 3.082 38.168 72.613 1.00 73.21 H new ATOM 0 HE1 HIS A 65 6.181 36.187 74.726 1.00 12.23 H new ATOM 1032 N LEU A 66 2.132 36.472 69.897 1.00 11.03 N ATOM 1033 CA LEU A 66 0.789 36.123 70.348 1.00 45.12 C ATOM 1034 C LEU A 66 0.235 34.948 69.548 1.00 33.52 C ATOM 1035 O LEU A 66 -0.116 33.912 70.111 1.00 72.30 O ATOM 1036 CB LEU A 66 -0.143 37.328 70.220 1.00 73.45 C ATOM 1037 CG LEU A 66 -1.634 37.048 70.408 1.00 4.24 C ATOM 1038 CD1 LEU A 66 -2.152 37.734 71.662 1.00 35.15 C ATOM 1039 CD2 LEU A 66 -2.421 37.499 69.187 1.00 22.44 C ATOM 0 H LEU A 66 2.182 37.329 69.346 1.00 11.03 H new ATOM 0 HA LEU A 66 0.849 35.829 71.396 1.00 45.12 H new ATOM 0 HB2 LEU A 66 0.161 38.076 70.953 1.00 73.45 H new ATOM 0 HB3 LEU A 66 0.001 37.770 69.234 1.00 73.45 H new ATOM 0 HG LEU A 66 -1.769 35.973 70.525 1.00 4.24 H new ATOM 0 HD11 LEU A 66 -3.215 37.523 71.779 1.00 35.15 H new ATOM 0 HD12 LEU A 66 -1.610 37.361 72.531 1.00 35.15 H new ATOM 0 HD13 LEU A 66 -2.003 38.810 71.576 1.00 35.15 H new ATOM 0 HD21 LEU A 66 -3.480 37.291 69.340 1.00 22.44 H new ATOM 0 HD22 LEU A 66 -2.279 38.569 69.037 1.00 22.44 H new ATOM 0 HD23 LEU A 66 -2.069 36.960 68.308 1.00 22.44 H new ATOM 1051 N GLU A 67 0.160 35.118 68.232 1.00 63.34 N ATOM 1052 CA GLU A 67 -0.351 34.072 67.354 1.00 50.10 C ATOM 1053 C GLU A 67 0.289 32.727 67.683 1.00 44.42 C ATOM 1054 O GLU A 67 -0.376 31.691 67.674 1.00 75.40 O ATOM 1055 CB GLU A 67 -0.090 34.430 65.889 1.00 54.44 C ATOM 1056 CG GLU A 67 -1.002 33.706 64.914 1.00 31.10 C ATOM 1057 CD GLU A 67 -0.297 32.580 64.182 1.00 50.25 C ATOM 1058 OE1 GLU A 67 0.426 31.805 64.842 1.00 0.41 O ATOM 1059 OE2 GLU A 67 -0.468 32.475 62.949 1.00 42.43 O ATOM 0 H GLU A 67 0.447 35.970 67.750 1.00 63.34 H new ATOM 0 HA GLU A 67 -1.426 33.992 67.513 1.00 50.10 H new ATOM 0 HB2 GLU A 67 -0.213 35.505 65.759 1.00 54.44 H new ATOM 0 HB3 GLU A 67 0.947 34.196 65.646 1.00 54.44 H new ATOM 0 HG2 GLU A 67 -1.859 33.303 65.454 1.00 31.10 H new ATOM 0 HG3 GLU A 67 -1.391 34.420 64.187 1.00 31.10 H new ATOM 1066 N ALA A 68 1.587 32.750 67.972 1.00 64.31 N ATOM 1067 CA ALA A 68 2.318 31.533 68.304 1.00 23.41 C ATOM 1068 C ALA A 68 2.146 31.174 69.775 1.00 54.02 C ATOM 1069 O ALA A 68 1.639 30.104 70.107 1.00 11.34 O ATOM 1070 CB ALA A 68 3.792 31.695 67.966 1.00 42.25 C ATOM 0 H ALA A 68 2.153 33.598 67.983 1.00 64.31 H new ATOM 0 HA ALA A 68 1.908 30.717 67.708 1.00 23.41 H new ATOM 0 HB1 ALA A 68 4.326 30.779 68.219 1.00 42.25 H new ATOM 0 HB2 ALA A 68 3.901 31.896 66.900 1.00 42.25 H new ATOM 0 HB3 ALA A 68 4.207 32.526 68.536 1.00 42.25 H new ATOM 1076 N GLN A 69 2.573 32.077 70.653 1.00 11.14 N ATOM 1077 CA GLN A 69 2.467 31.853 72.091 1.00 70.14 C ATOM 1078 C GLN A 69 1.014 31.648 72.504 1.00 20.11 C ATOM 1079 O GLN A 69 0.665 30.626 73.096 1.00 62.32 O ATOM 1080 CB GLN A 69 3.066 33.034 72.857 1.00 2.01 C ATOM 1081 CG GLN A 69 3.388 32.717 74.309 1.00 24.23 C ATOM 1082 CD GLN A 69 4.844 32.352 74.517 1.00 2.14 C ATOM 1083 OE1 GLN A 69 5.733 32.889 73.854 1.00 35.45 O ATOM 1084 NE2 GLN A 69 5.098 31.434 75.442 1.00 14.12 N ATOM 0 H GLN A 69 2.995 32.969 70.394 1.00 11.14 H new ATOM 0 HA GLN A 69 3.026 30.949 72.335 1.00 70.14 H new ATOM 0 HB2 GLN A 69 3.977 33.358 72.354 1.00 2.01 H new ATOM 0 HB3 GLN A 69 2.368 33.870 72.823 1.00 2.01 H new ATOM 0 HG2 GLN A 69 3.141 33.579 74.929 1.00 24.23 H new ATOM 0 HG3 GLN A 69 2.759 31.893 74.645 1.00 24.23 H new ATOM 0 HE21 GLN A 69 4.331 31.015 75.968 1.00 14.12 H new ATOM 0 HE22 GLN A 69 6.060 31.148 75.626 1.00 14.12 H new ATOM 1093 N TRP A 70 0.171 32.624 72.189 1.00 53.12 N ATOM 1094 CA TRP A 70 -1.246 32.550 72.529 1.00 72.03 C ATOM 1095 C TRP A 70 -1.876 31.283 71.961 1.00 50.42 C ATOM 1096 O TRP A 70 -2.891 30.804 72.467 1.00 41.54 O ATOM 1097 CB TRP A 70 -1.983 33.783 72.000 1.00 4.32 C ATOM 1098 CG TRP A 70 -3.064 34.267 72.918 1.00 73.23 C ATOM 1099 CD1 TRP A 70 -4.382 34.444 72.610 1.00 10.45 C ATOM 1100 CD2 TRP A 70 -2.917 34.639 74.293 1.00 63.32 C ATOM 1101 NE1 TRP A 70 -5.065 34.904 73.711 1.00 1.34 N ATOM 1102 CE2 TRP A 70 -4.189 35.031 74.756 1.00 2.52 C ATOM 1103 CE3 TRP A 70 -1.837 34.678 75.178 1.00 51.41 C ATOM 1104 CZ2 TRP A 70 -4.405 35.455 76.065 1.00 75.41 C ATOM 1105 CZ3 TRP A 70 -2.053 35.101 76.476 1.00 13.14 C ATOM 1106 CH2 TRP A 70 -3.329 35.484 76.909 1.00 33.24 C ATOM 0 H TRP A 70 0.443 33.476 71.699 1.00 53.12 H new ATOM 0 HA TRP A 70 -1.333 32.521 73.615 1.00 72.03 H new ATOM 0 HB2 TRP A 70 -1.264 34.587 71.841 1.00 4.32 H new ATOM 0 HB3 TRP A 70 -2.419 33.548 71.029 1.00 4.32 H new ATOM 0 HD1 TRP A 70 -4.823 34.251 71.643 1.00 10.45 H new ATOM 0 HE1 TRP A 70 -6.062 35.116 73.744 1.00 1.34 H new ATOM 0 HE3 TRP A 70 -0.850 34.383 74.854 1.00 51.41 H new ATOM 0 HZ2 TRP A 70 -5.388 35.751 76.402 1.00 75.41 H new ATOM 0 HZ3 TRP A 70 -1.224 35.137 77.168 1.00 13.14 H new ATOM 0 HH2 TRP A 70 -3.466 35.809 77.930 1.00 33.24 H new ATOM 1117 N ALA A 71 -1.268 30.745 70.909 1.00 14.00 N ATOM 1118 CA ALA A 71 -1.770 29.532 70.276 1.00 42.22 C ATOM 1119 C ALA A 71 -2.010 28.433 71.306 1.00 51.04 C ATOM 1120 O ALA A 71 -2.976 27.677 71.209 1.00 22.23 O ATOM 1121 CB ALA A 71 -0.797 29.054 69.208 1.00 4.31 C ATOM 0 H ALA A 71 -0.428 31.130 70.477 1.00 14.00 H new ATOM 0 HA ALA A 71 -2.725 29.766 69.805 1.00 42.22 H new ATOM 0 HB1 ALA A 71 -1.184 28.147 68.743 1.00 4.31 H new ATOM 0 HB2 ALA A 71 -0.679 29.829 68.450 1.00 4.31 H new ATOM 0 HB3 ALA A 71 0.170 28.843 69.665 1.00 4.31 H new ATOM 1127 N LYS A 72 -1.123 28.351 72.293 1.00 34.25 N ATOM 1128 CA LYS A 72 -1.239 27.345 73.343 1.00 62.13 C ATOM 1129 C LYS A 72 -2.684 27.211 73.813 1.00 72.54 C ATOM 1130 O LYS A 72 -3.168 26.107 74.054 1.00 41.31 O ATOM 1131 CB LYS A 72 -0.338 27.707 74.526 1.00 74.44 C ATOM 1132 CG LYS A 72 1.095 27.228 74.369 1.00 32.33 C ATOM 1133 CD LYS A 72 1.211 25.732 74.606 1.00 21.14 C ATOM 1134 CE LYS A 72 1.040 24.947 73.313 1.00 54.25 C ATOM 1135 NZ LYS A 72 2.234 24.111 73.011 1.00 63.33 N ATOM 0 H LYS A 72 -0.317 28.969 72.388 1.00 34.25 H new ATOM 0 HA LYS A 72 -0.920 26.388 72.930 1.00 62.13 H new ATOM 0 HB2 LYS A 72 -0.338 28.789 74.654 1.00 74.44 H new ATOM 0 HB3 LYS A 72 -0.758 27.278 75.436 1.00 74.44 H new ATOM 0 HG2 LYS A 72 1.452 27.468 73.367 1.00 32.33 H new ATOM 0 HG3 LYS A 72 1.737 27.760 75.072 1.00 32.33 H new ATOM 0 HD2 LYS A 72 2.183 25.506 75.044 1.00 21.14 H new ATOM 0 HD3 LYS A 72 0.456 25.417 75.326 1.00 21.14 H new ATOM 0 HE2 LYS A 72 0.160 24.309 73.389 1.00 54.25 H new ATOM 0 HE3 LYS A 72 0.863 25.638 72.489 1.00 54.25 H new ATOM 0 HZ1 LYS A 72 2.079 23.592 72.123 1.00 63.33 H new ATOM 0 HZ2 LYS A 72 3.070 24.722 72.913 1.00 63.33 H new ATOM 0 HZ3 LYS A 72 2.389 23.434 73.785 1.00 63.33 H new ATOM 1149 N GLN A 73 -3.368 28.345 73.937 1.00 43.31 N ATOM 1150 CA GLN A 73 -4.758 28.353 74.377 1.00 72.20 C ATOM 1151 C GLN A 73 -5.618 27.467 73.481 1.00 51.24 C ATOM 1152 O GLN A 73 -6.255 26.524 73.952 1.00 62.42 O ATOM 1153 CB GLN A 73 -5.305 29.781 74.380 1.00 21.43 C ATOM 1154 CG GLN A 73 -5.125 30.499 75.707 1.00 74.04 C ATOM 1155 CD GLN A 73 -6.437 30.715 76.437 1.00 63.42 C ATOM 1156 OE1 GLN A 73 -7.153 29.763 76.746 1.00 63.21 O ATOM 1157 NE2 GLN A 73 -6.759 31.973 76.717 1.00 63.52 N ATOM 0 H GLN A 73 -2.982 29.268 73.739 1.00 43.31 H new ATOM 0 HA GLN A 73 -4.795 27.956 75.391 1.00 72.20 H new ATOM 0 HB2 GLN A 73 -4.808 30.353 73.597 1.00 21.43 H new ATOM 0 HB3 GLN A 73 -6.366 29.755 74.131 1.00 21.43 H new ATOM 0 HG2 GLN A 73 -4.452 29.921 76.340 1.00 74.04 H new ATOM 0 HG3 GLN A 73 -4.648 31.463 75.532 1.00 74.04 H new ATOM 0 HE21 GLN A 73 -6.136 32.732 76.442 1.00 63.52 H new ATOM 0 HE22 GLN A 73 -7.629 32.180 77.207 1.00 63.52 H new ATOM 1166 N HIS A 74 -5.631 27.778 72.189 1.00 4.13 N ATOM 1167 CA HIS A 74 -6.413 27.009 71.227 1.00 33.50 C ATOM 1168 C HIS A 74 -5.581 26.678 69.991 1.00 54.23 C ATOM 1169 O HIS A 74 -5.560 25.536 69.533 1.00 61.14 O ATOM 1170 CB HIS A 74 -7.665 27.786 70.819 1.00 34.22 C ATOM 1171 CG HIS A 74 -8.698 27.869 71.901 1.00 63.24 C ATOM 1172 ND1 HIS A 74 -8.684 28.839 72.881 1.00 35.22 N ATOM 1173 CD2 HIS A 74 -9.780 27.096 72.152 1.00 55.24 C ATOM 1174 CE1 HIS A 74 -9.713 28.659 73.690 1.00 2.53 C ATOM 1175 NE2 HIS A 74 -10.394 27.608 73.269 1.00 1.51 N ATOM 0 H HIS A 74 -5.110 28.556 71.784 1.00 4.13 H new ATOM 0 HA HIS A 74 -6.712 26.075 71.703 1.00 33.50 H new ATOM 0 HB2 HIS A 74 -7.377 28.795 70.525 1.00 34.22 H new ATOM 0 HB3 HIS A 74 -8.107 27.313 69.942 1.00 34.22 H new ATOM 0 HD2 HIS A 74 -10.101 26.237 71.581 1.00 55.24 H new ATOM 0 HE1 HIS A 74 -9.956 29.267 74.549 1.00 2.53 H new ATOM 0 HE2 HIS A 74 -11.239 27.237 73.703 1.00 1.51 H new ATOM 1183 N GLY A 75 -4.897 27.685 69.457 1.00 23.25 N ATOM 1184 CA GLY A 75 -4.073 27.479 68.279 1.00 75.44 C ATOM 1185 C GLY A 75 -4.886 27.463 66.999 1.00 11.42 C ATOM 1186 O GLY A 75 -4.352 27.688 65.913 1.00 2.30 O ATOM 0 H GLY A 75 -4.898 28.639 69.818 1.00 23.25 H new ATOM 0 HA2 GLY A 75 -3.324 28.269 68.220 1.00 75.44 H new ATOM 0 HA3 GLY A 75 -3.535 26.536 68.376 1.00 75.44 H new ATOM 1190 N THR A 76 -6.181 27.194 67.126 1.00 14.44 N ATOM 1191 CA THR A 76 -7.068 27.144 65.971 1.00 35.00 C ATOM 1192 C THR A 76 -7.610 28.529 65.635 1.00 21.34 C ATOM 1193 O THR A 76 -7.503 29.006 64.506 1.00 23.53 O ATOM 1194 CB THR A 76 -8.251 26.188 66.212 1.00 33.35 C ATOM 1195 OG1 THR A 76 -9.484 26.917 66.187 1.00 0.41 O ATOM 1196 CG2 THR A 76 -8.107 25.472 67.546 1.00 43.03 C ATOM 0 H THR A 76 -6.639 27.007 68.018 1.00 14.44 H new ATOM 0 HA THR A 76 -6.476 26.774 65.134 1.00 35.00 H new ATOM 0 HB THR A 76 -8.254 25.443 65.417 1.00 33.35 H new ATOM 0 HG1 THR A 76 -10.231 26.301 66.339 1.00 0.41 H new ATOM 0 HG21 THR A 76 -8.955 24.803 67.693 1.00 43.03 H new ATOM 0 HG22 THR A 76 -7.183 24.894 67.551 1.00 43.03 H new ATOM 0 HG23 THR A 76 -8.080 26.206 68.352 1.00 43.03 H new ATOM 1204 N PRO A 77 -8.205 29.192 66.638 1.00 33.43 N ATOM 1205 CA PRO A 77 -8.775 30.533 66.472 1.00 43.13 C ATOM 1206 C PRO A 77 -7.701 31.598 66.275 1.00 22.22 C ATOM 1207 O PRO A 77 -7.929 32.634 65.650 1.00 72.02 O ATOM 1208 CB PRO A 77 -9.524 30.765 67.787 1.00 62.44 C ATOM 1209 CG PRO A 77 -8.832 29.893 68.776 1.00 1.44 C ATOM 1210 CD PRO A 77 -8.369 28.684 68.010 1.00 71.12 C ATOM 0 HA PRO A 77 -9.408 30.601 65.587 1.00 43.13 H new ATOM 0 HB2 PRO A 77 -9.484 31.812 68.086 1.00 62.44 H new ATOM 0 HB3 PRO A 77 -10.577 30.500 67.695 1.00 62.44 H new ATOM 0 HG2 PRO A 77 -7.989 30.413 69.232 1.00 1.44 H new ATOM 0 HG3 PRO A 77 -9.506 29.608 69.584 1.00 1.44 H new ATOM 0 HD2 PRO A 77 -7.433 28.291 68.407 1.00 71.12 H new ATOM 0 HD3 PRO A 77 -9.099 27.876 68.055 1.00 71.12 H new ATOM 1218 N PRO A 78 -6.503 31.339 66.818 1.00 52.43 N ATOM 1219 CA PRO A 78 -5.370 32.263 66.713 1.00 52.44 C ATOM 1220 C PRO A 78 -4.818 32.347 65.295 1.00 5.33 C ATOM 1221 O PRO A 78 -4.230 31.389 64.789 1.00 74.05 O ATOM 1222 CB PRO A 78 -4.329 31.657 67.658 1.00 14.24 C ATOM 1223 CG PRO A 78 -4.665 30.206 67.711 1.00 34.22 C ATOM 1224 CD PRO A 78 -6.162 30.123 67.576 1.00 45.03 C ATOM 0 HA PRO A 78 -5.653 33.284 66.967 1.00 52.44 H new ATOM 0 HB2 PRO A 78 -3.317 31.816 67.286 1.00 14.24 H new ATOM 0 HB3 PRO A 78 -4.380 32.112 68.647 1.00 14.24 H new ATOM 0 HG2 PRO A 78 -4.170 29.661 66.907 1.00 34.22 H new ATOM 0 HG3 PRO A 78 -4.332 29.762 68.649 1.00 34.22 H new ATOM 0 HD2 PRO A 78 -6.469 29.220 67.047 1.00 45.03 H new ATOM 0 HD3 PRO A 78 -6.653 30.105 68.549 1.00 45.03 H new ATOM 1232 N THR A 79 -5.011 33.496 64.656 1.00 51.34 N ATOM 1233 CA THR A 79 -4.533 33.703 63.295 1.00 72.33 C ATOM 1234 C THR A 79 -4.510 35.186 62.940 1.00 52.15 C ATOM 1235 O THR A 79 -5.154 36.002 63.600 1.00 24.33 O ATOM 1236 CB THR A 79 -5.408 32.956 62.272 1.00 32.22 C ATOM 1237 OG1 THR A 79 -5.631 31.611 62.708 1.00 33.22 O ATOM 1238 CG2 THR A 79 -4.751 32.947 60.901 1.00 63.13 C ATOM 0 H THR A 79 -5.495 34.298 65.059 1.00 51.34 H new ATOM 0 HA THR A 79 -3.519 33.306 63.253 1.00 72.33 H new ATOM 0 HB THR A 79 -6.363 33.476 62.196 1.00 32.22 H new ATOM 0 HG1 THR A 79 -4.888 31.325 63.279 1.00 33.22 H new ATOM 0 HG21 THR A 79 -5.388 32.414 60.196 1.00 63.13 H new ATOM 0 HG22 THR A 79 -4.609 33.972 60.559 1.00 63.13 H new ATOM 0 HG23 THR A 79 -3.784 32.449 60.964 1.00 63.13 H new ATOM 1246 N ALA A 80 -3.763 35.528 61.896 1.00 24.23 N ATOM 1247 CA ALA A 80 -3.659 36.913 61.452 1.00 43.11 C ATOM 1248 C ALA A 80 -5.001 37.627 61.562 1.00 52.51 C ATOM 1249 O ALA A 80 -5.056 38.833 61.802 1.00 64.33 O ATOM 1250 CB ALA A 80 -3.144 36.971 60.021 1.00 13.31 C ATOM 0 H ALA A 80 -3.221 34.865 61.342 1.00 24.23 H new ATOM 0 HA ALA A 80 -2.950 37.425 62.103 1.00 43.11 H new ATOM 0 HB1 ALA A 80 -3.071 38.011 59.702 1.00 13.31 H new ATOM 0 HB2 ALA A 80 -2.160 36.506 59.969 1.00 13.31 H new ATOM 0 HB3 ALA A 80 -3.832 36.438 59.365 1.00 13.31 H new ATOM 1256 N SER A 81 -6.083 36.876 61.386 1.00 1.40 N ATOM 1257 CA SER A 81 -7.426 37.439 61.462 1.00 0.35 C ATOM 1258 C SER A 81 -7.736 37.917 62.877 1.00 42.22 C ATOM 1259 O SER A 81 -8.276 39.006 63.072 1.00 51.23 O ATOM 1260 CB SER A 81 -8.462 36.402 61.023 1.00 15.43 C ATOM 1261 OG SER A 81 -8.954 36.690 59.727 1.00 31.04 O ATOM 0 H SER A 81 -6.056 35.875 61.190 1.00 1.40 H new ATOM 0 HA SER A 81 -7.472 38.296 60.790 1.00 0.35 H new ATOM 0 HB2 SER A 81 -8.013 35.409 61.033 1.00 15.43 H new ATOM 0 HB3 SER A 81 -9.288 36.385 61.734 1.00 15.43 H new ATOM 0 HG SER A 81 -9.613 36.012 59.469 1.00 31.04 H new ATOM 1267 N ASP A 82 -7.389 37.095 63.861 1.00 51.24 N ATOM 1268 CA ASP A 82 -7.629 37.433 65.260 1.00 64.25 C ATOM 1269 C ASP A 82 -6.502 38.304 65.808 1.00 73.20 C ATOM 1270 O ASP A 82 -6.746 39.382 66.351 1.00 74.23 O ATOM 1271 CB ASP A 82 -7.760 36.161 66.099 1.00 12.00 C ATOM 1272 CG ASP A 82 -9.152 35.565 66.031 1.00 33.34 C ATOM 1273 OD1 ASP A 82 -10.019 35.987 66.825 1.00 30.23 O ATOM 1274 OD2 ASP A 82 -9.376 34.676 65.183 1.00 20.21 O ATOM 0 H ASP A 82 -6.941 36.190 63.716 1.00 51.24 H new ATOM 0 HA ASP A 82 -8.561 37.995 65.318 1.00 64.25 H new ATOM 0 HB2 ASP A 82 -7.035 35.424 65.753 1.00 12.00 H new ATOM 0 HB3 ASP A 82 -7.515 36.387 67.137 1.00 12.00 H new ATOM 1279 N VAL A 83 -5.269 37.829 65.664 1.00 11.41 N ATOM 1280 CA VAL A 83 -4.106 38.564 66.145 1.00 72.34 C ATOM 1281 C VAL A 83 -4.231 40.053 65.840 1.00 13.53 C ATOM 1282 O VAL A 83 -3.626 40.888 66.511 1.00 63.21 O ATOM 1283 CB VAL A 83 -2.805 38.031 65.517 1.00 24.43 C ATOM 1284 CG1 VAL A 83 -1.599 38.767 66.077 1.00 72.11 C ATOM 1285 CG2 VAL A 83 -2.679 36.532 65.745 1.00 31.02 C ATOM 0 H VAL A 83 -5.050 36.938 65.218 1.00 11.41 H new ATOM 0 HA VAL A 83 -4.066 38.419 67.225 1.00 72.34 H new ATOM 0 HB VAL A 83 -2.841 38.211 64.443 1.00 24.43 H new ATOM 0 HG11 VAL A 83 -0.690 38.376 65.621 1.00 72.11 H new ATOM 0 HG12 VAL A 83 -1.687 39.831 65.856 1.00 72.11 H new ATOM 0 HG13 VAL A 83 -1.554 38.623 67.157 1.00 72.11 H new ATOM 0 HG21 VAL A 83 -1.754 36.172 65.295 1.00 31.02 H new ATOM 0 HG22 VAL A 83 -2.665 36.327 66.815 1.00 31.02 H new ATOM 0 HG23 VAL A 83 -3.527 36.022 65.288 1.00 31.02 H new ATOM 1295 N VAL A 84 -5.023 40.378 64.824 1.00 24.23 N ATOM 1296 CA VAL A 84 -5.231 41.766 64.429 1.00 1.20 C ATOM 1297 C VAL A 84 -5.611 42.627 65.629 1.00 11.34 C ATOM 1298 O VAL A 84 -5.132 43.750 65.778 1.00 21.53 O ATOM 1299 CB VAL A 84 -6.328 41.887 63.356 1.00 22.41 C ATOM 1300 CG1 VAL A 84 -7.693 41.569 63.949 1.00 72.24 C ATOM 1301 CG2 VAL A 84 -6.317 43.277 62.737 1.00 30.51 C ATOM 0 H VAL A 84 -5.532 39.698 64.259 1.00 24.23 H new ATOM 0 HA VAL A 84 -4.288 42.121 64.014 1.00 1.20 H new ATOM 0 HB VAL A 84 -6.123 41.162 62.568 1.00 22.41 H new ATOM 0 HG11 VAL A 84 -8.456 41.660 63.176 1.00 72.24 H new ATOM 0 HG12 VAL A 84 -7.692 40.551 64.340 1.00 72.24 H new ATOM 0 HG13 VAL A 84 -7.910 42.268 64.757 1.00 72.24 H new ATOM 0 HG21 VAL A 84 -7.099 43.345 61.981 1.00 30.51 H new ATOM 0 HG22 VAL A 84 -6.497 44.022 63.512 1.00 30.51 H new ATOM 0 HG23 VAL A 84 -5.348 43.462 62.274 1.00 30.51 H new ATOM 1311 N GLY A 85 -6.477 42.090 66.484 1.00 53.05 N ATOM 1312 CA GLY A 85 -6.908 42.823 67.661 1.00 62.22 C ATOM 1313 C GLY A 85 -6.883 41.972 68.915 1.00 25.24 C ATOM 1314 O GLY A 85 -7.120 42.469 70.015 1.00 50.22 O ATOM 0 H GLY A 85 -6.887 41.162 66.383 1.00 53.05 H new ATOM 0 HA2 GLY A 85 -6.263 43.690 67.801 1.00 62.22 H new ATOM 0 HA3 GLY A 85 -7.918 43.199 67.501 1.00 62.22 H new ATOM 1318 N MET A 86 -6.598 40.685 68.749 1.00 44.00 N ATOM 1319 CA MET A 86 -6.544 39.762 69.877 1.00 32.20 C ATOM 1320 C MET A 86 -5.562 40.254 70.935 1.00 71.23 C ATOM 1321 O MET A 86 -5.854 40.263 72.131 1.00 53.14 O ATOM 1322 CB MET A 86 -6.143 38.364 69.402 1.00 54.15 C ATOM 1323 CG MET A 86 -5.989 37.360 70.533 1.00 24.02 C ATOM 1324 SD MET A 86 -6.964 35.866 70.271 1.00 15.42 S ATOM 1325 CE MET A 86 -5.849 34.906 69.251 1.00 51.14 C ATOM 0 H MET A 86 -6.401 40.257 67.844 1.00 44.00 H new ATOM 0 HA MET A 86 -7.537 39.714 70.323 1.00 32.20 H new ATOM 0 HB2 MET A 86 -6.894 37.998 68.701 1.00 54.15 H new ATOM 0 HB3 MET A 86 -5.202 38.431 68.855 1.00 54.15 H new ATOM 0 HG2 MET A 86 -4.938 37.090 70.634 1.00 24.02 H new ATOM 0 HG3 MET A 86 -6.290 37.826 71.471 1.00 24.02 H new ATOM 0 HE1 MET A 86 -6.151 33.859 69.268 1.00 51.14 H new ATOM 0 HE2 MET A 86 -5.882 35.277 68.227 1.00 51.14 H new ATOM 0 HE3 MET A 86 -4.834 34.997 69.637 1.00 51.14 H new ATOM 1335 N PRO A 87 -4.369 40.674 70.487 1.00 0.34 N ATOM 1336 CA PRO A 87 -3.321 41.175 71.381 1.00 24.01 C ATOM 1337 C PRO A 87 -3.676 42.527 71.992 1.00 22.44 C ATOM 1338 O PRO A 87 -4.722 43.099 71.687 1.00 64.13 O ATOM 1339 CB PRO A 87 -2.105 41.308 70.460 1.00 11.21 C ATOM 1340 CG PRO A 87 -2.680 41.490 69.097 1.00 42.44 C ATOM 1341 CD PRO A 87 -3.953 40.691 69.075 1.00 51.41 C ATOM 0 HA PRO A 87 -3.160 40.513 72.232 1.00 24.01 H new ATOM 0 HB2 PRO A 87 -1.484 42.158 70.744 1.00 11.21 H new ATOM 0 HB3 PRO A 87 -1.473 40.421 70.508 1.00 11.21 H new ATOM 0 HG2 PRO A 87 -2.876 42.543 68.894 1.00 42.44 H new ATOM 0 HG3 PRO A 87 -1.987 41.141 68.331 1.00 42.44 H new ATOM 0 HD2 PRO A 87 -4.707 41.154 68.439 1.00 51.41 H new ATOM 0 HD3 PRO A 87 -3.789 39.684 68.692 1.00 51.41 H new ATOM 1349 N GLN A 88 -2.799 43.030 72.853 1.00 64.33 N ATOM 1350 CA GLN A 88 -3.021 44.314 73.506 1.00 34.20 C ATOM 1351 C GLN A 88 -2.581 45.466 72.607 1.00 54.51 C ATOM 1352 O GLN A 88 -3.174 46.544 72.630 1.00 62.31 O ATOM 1353 CB GLN A 88 -2.267 44.372 74.835 1.00 13.22 C ATOM 1354 CG GLN A 88 -0.766 44.177 74.693 1.00 0.34 C ATOM 1355 CD GLN A 88 -0.082 43.928 76.023 1.00 24.30 C ATOM 1356 OE1 GLN A 88 -0.580 43.173 76.859 1.00 41.04 O ATOM 1357 NE2 GLN A 88 1.068 44.561 76.224 1.00 2.33 N ATOM 0 H GLN A 88 -1.928 42.568 73.115 1.00 64.33 H new ATOM 0 HA GLN A 88 -4.089 44.415 73.698 1.00 34.20 H new ATOM 0 HB2 GLN A 88 -2.456 45.335 75.309 1.00 13.22 H new ATOM 0 HB3 GLN A 88 -2.663 43.606 75.501 1.00 13.22 H new ATOM 0 HG2 GLN A 88 -0.574 43.336 74.027 1.00 0.34 H new ATOM 0 HG3 GLN A 88 -0.331 45.060 74.225 1.00 0.34 H new ATOM 0 HE21 GLN A 88 1.444 45.177 75.503 1.00 2.33 H new ATOM 0 HE22 GLN A 88 1.576 44.431 77.099 1.00 2.33 H new ATOM 1366 N TRP A 89 -1.539 45.229 71.820 1.00 3.52 N ATOM 1367 CA TRP A 89 -1.018 46.247 70.915 1.00 23.13 C ATOM 1368 C TRP A 89 -2.155 46.994 70.225 1.00 63.10 C ATOM 1369 O TRP A 89 -2.155 48.222 70.166 1.00 61.14 O ATOM 1370 CB TRP A 89 -0.102 45.609 69.869 1.00 2.04 C ATOM 1371 CG TRP A 89 -0.794 45.315 68.573 1.00 62.25 C ATOM 1372 CD1 TRP A 89 -1.183 44.091 68.110 1.00 22.53 C ATOM 1373 CD2 TRP A 89 -1.177 46.265 67.572 1.00 23.43 C ATOM 1374 NE1 TRP A 89 -1.785 44.221 66.881 1.00 53.53 N ATOM 1375 CE2 TRP A 89 -1.794 45.545 66.530 1.00 31.53 C ATOM 1376 CE3 TRP A 89 -1.060 47.652 67.454 1.00 74.11 C ATOM 1377 CZ2 TRP A 89 -2.290 46.168 65.387 1.00 13.45 C ATOM 1378 CZ3 TRP A 89 -1.553 48.269 66.320 1.00 11.32 C ATOM 1379 CH2 TRP A 89 -2.163 47.528 65.300 1.00 64.10 C ATOM 0 H TRP A 89 -1.038 44.341 71.790 1.00 3.52 H new ATOM 0 HA TRP A 89 -0.443 46.961 71.504 1.00 23.13 H new ATOM 0 HB2 TRP A 89 0.740 46.275 69.680 1.00 2.04 H new ATOM 0 HB3 TRP A 89 0.308 44.683 70.272 1.00 2.04 H new ATOM 0 HD1 TRP A 89 -1.039 43.157 68.633 1.00 22.53 H new ATOM 0 HE1 TRP A 89 -2.163 43.456 66.322 1.00 53.53 H new ATOM 0 HE3 TRP A 89 -0.592 48.232 68.236 1.00 74.11 H new ATOM 0 HZ2 TRP A 89 -2.758 45.598 64.598 1.00 13.45 H new ATOM 0 HZ3 TRP A 89 -1.466 49.341 66.219 1.00 11.32 H new ATOM 0 HH2 TRP A 89 -2.541 48.040 64.427 1.00 64.10 H new ATOM 1390 N GLN A 90 -3.121 46.243 69.704 1.00 52.34 N ATOM 1391 CA GLN A 90 -4.262 46.836 69.017 1.00 11.41 C ATOM 1392 C GLN A 90 -5.047 47.747 69.955 1.00 52.10 C ATOM 1393 O GLN A 90 -5.547 48.794 69.543 1.00 51.41 O ATOM 1394 CB GLN A 90 -5.177 45.741 68.467 1.00 30.43 C ATOM 1395 CG GLN A 90 -6.358 46.277 67.675 1.00 33.31 C ATOM 1396 CD GLN A 90 -5.960 47.361 66.693 1.00 71.11 C ATOM 1397 OE1 GLN A 90 -5.512 47.075 65.583 1.00 72.00 O ATOM 1398 NE2 GLN A 90 -6.121 48.615 67.099 1.00 64.44 N ATOM 0 H GLN A 90 -3.136 45.224 69.745 1.00 52.34 H new ATOM 0 HA GLN A 90 -3.885 47.435 68.188 1.00 11.41 H new ATOM 0 HB2 GLN A 90 -4.593 45.078 67.829 1.00 30.43 H new ATOM 0 HB3 GLN A 90 -5.549 45.139 69.296 1.00 30.43 H new ATOM 0 HG2 GLN A 90 -6.829 45.457 67.133 1.00 33.31 H new ATOM 0 HG3 GLN A 90 -7.103 46.673 68.365 1.00 33.31 H new ATOM 0 HE21 GLN A 90 -6.496 48.806 68.028 1.00 64.44 H new ATOM 0 HE22 GLN A 90 -5.870 49.387 66.482 1.00 64.44 H new ATOM 1407 N GLU A 91 -5.152 47.342 71.217 1.00 31.41 N ATOM 1408 CA GLU A 91 -5.878 48.123 72.211 1.00 35.24 C ATOM 1409 C GLU A 91 -5.070 49.343 72.642 1.00 43.44 C ATOM 1410 O GLU A 91 -5.534 50.478 72.539 1.00 21.34 O ATOM 1411 CB GLU A 91 -6.206 47.258 73.430 1.00 34.23 C ATOM 1412 CG GLU A 91 -7.693 47.172 73.734 1.00 62.22 C ATOM 1413 CD GLU A 91 -7.977 46.545 75.084 1.00 1.13 C ATOM 1414 OE1 GLU A 91 -7.501 47.088 76.103 1.00 32.15 O ATOM 1415 OE2 GLU A 91 -8.677 45.511 75.121 1.00 52.43 O ATOM 0 H GLU A 91 -4.744 46.478 71.575 1.00 31.41 H new ATOM 0 HA GLU A 91 -6.807 48.467 71.757 1.00 35.24 H new ATOM 0 HB2 GLU A 91 -5.819 46.252 73.266 1.00 34.23 H new ATOM 0 HB3 GLU A 91 -5.689 47.661 74.301 1.00 34.23 H new ATOM 0 HG2 GLU A 91 -8.124 48.173 73.704 1.00 62.22 H new ATOM 0 HG3 GLU A 91 -8.186 46.589 72.956 1.00 62.22 H new ATOM 1422 N TYR A 92 -3.856 49.099 73.125 1.00 73.01 N ATOM 1423 CA TYR A 92 -2.982 50.177 73.574 1.00 15.34 C ATOM 1424 C TYR A 92 -2.767 51.203 72.466 1.00 30.41 C ATOM 1425 O TYR A 92 -3.063 52.386 72.633 1.00 64.55 O ATOM 1426 CB TYR A 92 -1.635 49.613 74.030 1.00 31.04 C ATOM 1427 CG TYR A 92 -1.690 48.925 75.375 1.00 35.22 C ATOM 1428 CD1 TYR A 92 -2.220 49.570 76.487 1.00 43.13 C ATOM 1429 CD2 TYR A 92 -1.216 47.629 75.535 1.00 72.32 C ATOM 1430 CE1 TYR A 92 -2.271 48.946 77.717 1.00 1.54 C ATOM 1431 CE2 TYR A 92 -1.266 46.996 76.761 1.00 52.50 C ATOM 1432 CZ TYR A 92 -1.793 47.659 77.851 1.00 30.53 C ATOM 1433 OH TYR A 92 -1.845 47.032 79.075 1.00 60.22 O ATOM 0 H TYR A 92 -3.455 48.165 73.215 1.00 73.01 H new ATOM 0 HA TYR A 92 -3.465 50.674 74.415 1.00 15.34 H new ATOM 0 HB2 TYR A 92 -1.276 48.905 73.283 1.00 31.04 H new ATOM 0 HB3 TYR A 92 -0.908 50.424 74.076 1.00 31.04 H new ATOM 0 HD1 TYR A 92 -2.598 50.577 76.386 1.00 43.13 H new ATOM 0 HD2 TYR A 92 -0.801 47.107 74.685 1.00 72.32 H new ATOM 0 HE1 TYR A 92 -2.683 49.463 78.571 1.00 1.54 H new ATOM 0 HE2 TYR A 92 -0.895 45.987 76.867 1.00 52.50 H new ATOM 0 HH TYR A 92 -1.469 46.130 78.997 1.00 60.22 H new ATOM 1443 N THR A 93 -2.251 50.740 71.331 1.00 0.32 N ATOM 1444 CA THR A 93 -1.997 51.615 70.194 1.00 44.41 C ATOM 1445 C THR A 93 -3.178 52.544 69.939 1.00 2.30 C ATOM 1446 O THR A 93 -3.004 53.672 69.477 1.00 10.15 O ATOM 1447 CB THR A 93 -1.709 50.805 68.915 1.00 54.13 C ATOM 1448 OG1 THR A 93 -1.176 51.664 67.901 1.00 42.51 O ATOM 1449 CG2 THR A 93 -2.976 50.134 68.404 1.00 50.04 C ATOM 0 H THR A 93 -2.001 49.763 71.176 1.00 0.32 H new ATOM 0 HA THR A 93 -1.119 52.210 70.444 1.00 44.41 H new ATOM 0 HB THR A 93 -0.979 50.032 69.156 1.00 54.13 H new ATOM 0 HG1 THR A 93 -1.042 52.562 68.270 1.00 42.51 H new ATOM 0 HG21 THR A 93 -2.749 49.568 67.501 1.00 50.04 H new ATOM 0 HG22 THR A 93 -3.364 49.459 69.167 1.00 50.04 H new ATOM 0 HG23 THR A 93 -3.724 50.894 68.178 1.00 50.04 H new ATOM 1457 N ALA A 94 -4.378 52.064 70.245 1.00 2.14 N ATOM 1458 CA ALA A 94 -5.588 52.853 70.050 1.00 11.43 C ATOM 1459 C ALA A 94 -5.850 53.760 71.249 1.00 3.45 C ATOM 1460 O ALA A 94 -6.228 54.919 71.091 1.00 62.34 O ATOM 1461 CB ALA A 94 -6.781 51.940 69.806 1.00 74.01 C ATOM 0 H ALA A 94 -4.539 51.133 70.629 1.00 2.14 H new ATOM 0 HA ALA A 94 -5.443 53.484 69.173 1.00 11.43 H new ATOM 0 HB1 ALA A 94 -7.677 52.543 69.662 1.00 74.01 H new ATOM 0 HB2 ALA A 94 -6.602 51.338 68.915 1.00 74.01 H new ATOM 0 HB3 ALA A 94 -6.919 51.284 70.666 1.00 74.01 H new ATOM 1467 N MET A 95 -5.648 53.221 72.447 1.00 34.14 N ATOM 1468 CA MET A 95 -5.863 53.982 73.672 1.00 51.04 C ATOM 1469 C MET A 95 -5.287 55.389 73.546 1.00 32.10 C ATOM 1470 O MET A 95 -5.922 56.369 73.941 1.00 44.40 O ATOM 1471 CB MET A 95 -5.226 53.263 74.863 1.00 43.45 C ATOM 1472 CG MET A 95 -6.218 52.896 75.954 1.00 33.40 C ATOM 1473 SD MET A 95 -5.437 52.074 77.356 1.00 3.52 S ATOM 1474 CE MET A 95 -6.369 52.769 78.719 1.00 32.52 C ATOM 0 H MET A 95 -5.336 52.261 72.595 1.00 34.14 H new ATOM 0 HA MET A 95 -6.938 54.061 73.837 1.00 51.04 H new ATOM 0 HB2 MET A 95 -4.736 52.356 74.509 1.00 43.45 H new ATOM 0 HB3 MET A 95 -4.450 53.900 75.288 1.00 43.45 H new ATOM 0 HG2 MET A 95 -6.721 53.799 76.301 1.00 33.40 H new ATOM 0 HG3 MET A 95 -6.986 52.244 75.537 1.00 33.40 H new ATOM 0 HE1 MET A 95 -6.002 52.356 79.659 1.00 32.52 H new ATOM 0 HE2 MET A 95 -6.249 53.852 78.727 1.00 32.52 H new ATOM 0 HE3 MET A 95 -7.424 52.522 78.602 1.00 32.52 H new ATOM 1484 N LEU A 96 -4.083 55.484 72.993 1.00 14.24 N ATOM 1485 CA LEU A 96 -3.422 56.772 72.815 1.00 22.30 C ATOM 1486 C LEU A 96 -4.158 57.624 71.785 1.00 45.41 C ATOM 1487 O LEU A 96 -4.446 58.796 72.026 1.00 61.33 O ATOM 1488 CB LEU A 96 -1.970 56.567 72.379 1.00 12.15 C ATOM 1489 CG LEU A 96 -1.581 55.139 71.992 1.00 12.21 C ATOM 1490 CD1 LEU A 96 -0.364 55.146 71.081 1.00 52.31 C ATOM 1491 CD2 LEU A 96 -1.315 54.304 73.236 1.00 45.53 C ATOM 0 H LEU A 96 -3.544 54.684 72.660 1.00 14.24 H new ATOM 0 HA LEU A 96 -3.438 57.295 73.771 1.00 22.30 H new ATOM 0 HB2 LEU A 96 -1.771 57.220 71.529 1.00 12.15 H new ATOM 0 HB3 LEU A 96 -1.319 56.893 73.190 1.00 12.15 H new ATOM 0 HG LEU A 96 -2.412 54.690 71.449 1.00 12.21 H new ATOM 0 HD11 LEU A 96 -0.102 54.122 70.816 1.00 52.31 H new ATOM 0 HD12 LEU A 96 -0.591 55.708 70.175 1.00 52.31 H new ATOM 0 HD13 LEU A 96 0.475 55.613 71.598 1.00 52.31 H new ATOM 0 HD21 LEU A 96 -1.040 53.291 72.942 1.00 45.53 H new ATOM 0 HD22 LEU A 96 -0.501 54.750 73.807 1.00 45.53 H new ATOM 0 HD23 LEU A 96 -2.214 54.272 73.851 1.00 45.53 H new ATOM 1503 N ARG A 97 -4.461 57.025 70.637 1.00 52.42 N ATOM 1504 CA ARG A 97 -5.165 57.728 69.572 1.00 64.23 C ATOM 1505 C ARG A 97 -6.432 58.391 70.103 1.00 25.54 C ATOM 1506 O ARG A 97 -6.617 59.599 69.963 1.00 61.22 O ATOM 1507 CB ARG A 97 -5.517 56.762 68.439 1.00 43.35 C ATOM 1508 CG ARG A 97 -4.321 55.996 67.899 1.00 44.53 C ATOM 1509 CD ARG A 97 -4.753 54.861 66.982 1.00 72.44 C ATOM 1510 NE ARG A 97 -4.758 55.265 65.579 1.00 65.30 N ATOM 1511 CZ ARG A 97 -5.806 55.811 64.974 1.00 73.12 C ATOM 1512 NH1 ARG A 97 -6.929 56.020 65.647 1.00 74.35 N ATOM 1513 NH2 ARG A 97 -5.733 56.152 63.694 1.00 64.12 N ATOM 0 H ARG A 97 -4.230 56.055 70.422 1.00 52.42 H new ATOM 0 HA ARG A 97 -4.505 58.504 69.185 1.00 64.23 H new ATOM 0 HB2 ARG A 97 -6.262 56.051 68.797 1.00 43.35 H new ATOM 0 HB3 ARG A 97 -5.977 57.322 67.625 1.00 43.35 H new ATOM 0 HG2 ARG A 97 -3.668 56.677 67.354 1.00 44.53 H new ATOM 0 HG3 ARG A 97 -3.740 55.594 68.729 1.00 44.53 H new ATOM 0 HD2 ARG A 97 -4.081 54.013 67.113 1.00 72.44 H new ATOM 0 HD3 ARG A 97 -5.750 54.524 67.266 1.00 72.44 H new ATOM 0 HE ARG A 97 -3.909 55.120 65.033 1.00 65.30 H new ATOM 0 HH11 ARG A 97 -6.989 55.761 66.632 1.00 74.35 H new ATOM 0 HH12 ARG A 97 -7.733 56.440 65.180 1.00 74.35 H new ATOM 0 HH21 ARG A 97 -4.870 55.995 63.173 1.00 64.12 H new ATOM 0 HH22 ARG A 97 -6.539 56.571 63.231 1.00 64.12 H new ATOM 1527 N GLU A 98 -7.303 57.590 70.710 1.00 65.41 N ATOM 1528 CA GLU A 98 -8.554 58.100 71.259 1.00 61.13 C ATOM 1529 C GLU A 98 -8.298 58.935 72.510 1.00 15.00 C ATOM 1530 O GLU A 98 -8.822 60.040 72.649 1.00 32.10 O ATOM 1531 CB GLU A 98 -9.500 56.944 71.590 1.00 24.34 C ATOM 1532 CG GLU A 98 -10.726 57.367 72.380 1.00 13.31 C ATOM 1533 CD GLU A 98 -11.720 58.148 71.543 1.00 72.44 C ATOM 1534 OE1 GLU A 98 -11.343 59.219 71.021 1.00 41.53 O ATOM 1535 OE2 GLU A 98 -12.873 57.691 71.409 1.00 54.22 O ATOM 0 H GLU A 98 -7.165 56.587 70.834 1.00 65.41 H new ATOM 0 HA GLU A 98 -9.019 58.737 70.506 1.00 61.13 H new ATOM 0 HB2 GLU A 98 -9.822 56.472 70.662 1.00 24.34 H new ATOM 0 HB3 GLU A 98 -8.954 56.191 72.158 1.00 24.34 H new ATOM 0 HG2 GLU A 98 -11.215 56.481 72.786 1.00 13.31 H new ATOM 0 HG3 GLU A 98 -10.414 57.976 73.229 1.00 13.31 H new ATOM 1542 N ARG A 99 -7.489 58.398 73.418 1.00 73.33 N ATOM 1543 CA ARG A 99 -7.165 59.093 74.658 1.00 0.32 C ATOM 1544 C ARG A 99 -6.084 60.145 74.426 1.00 11.12 C ATOM 1545 O ARG A 99 -5.485 60.655 75.373 1.00 35.13 O ATOM 1546 CB ARG A 99 -6.700 58.095 75.720 1.00 61.21 C ATOM 1547 CG ARG A 99 -6.805 58.624 77.140 1.00 53.10 C ATOM 1548 CD ARG A 99 -8.213 59.110 77.451 1.00 45.42 C ATOM 1549 NE ARG A 99 -8.601 58.818 78.829 1.00 45.11 N ATOM 1550 CZ ARG A 99 -9.782 59.142 79.344 1.00 23.41 C ATOM 1551 NH1 ARG A 99 -10.685 59.765 78.599 1.00 60.24 N ATOM 1552 NH2 ARG A 99 -10.061 58.842 80.605 1.00 32.01 N ATOM 0 H ARG A 99 -7.046 57.485 73.318 1.00 73.33 H new ATOM 0 HA ARG A 99 -8.066 59.595 75.010 1.00 0.32 H new ATOM 0 HB2 ARG A 99 -7.294 57.185 75.636 1.00 61.21 H new ATOM 0 HB3 ARG A 99 -5.665 57.820 75.519 1.00 61.21 H new ATOM 0 HG2 ARG A 99 -6.526 57.839 77.843 1.00 53.10 H new ATOM 0 HG3 ARG A 99 -6.098 59.442 77.278 1.00 53.10 H new ATOM 0 HD2 ARG A 99 -8.272 60.185 77.278 1.00 45.42 H new ATOM 0 HD3 ARG A 99 -8.919 58.638 76.768 1.00 45.42 H new ATOM 0 HE ARG A 99 -7.929 58.339 79.428 1.00 45.11 H new ATOM 0 HH11 ARG A 99 -10.474 59.996 77.628 1.00 60.24 H new ATOM 0 HH12 ARG A 99 -11.591 60.013 78.997 1.00 60.24 H new ATOM 0 HH21 ARG A 99 -9.369 58.362 81.180 1.00 32.01 H new ATOM 0 HH22 ARG A 99 -10.968 59.091 81.000 1.00 32.01 H new ATOM 1566 N PHE A 100 -5.840 60.465 73.159 1.00 74.00 N ATOM 1567 CA PHE A 100 -4.831 61.456 72.802 1.00 11.34 C ATOM 1568 C PHE A 100 -5.157 62.813 73.421 1.00 0.35 C ATOM 1569 O PHE A 100 -6.021 63.538 72.931 1.00 33.24 O ATOM 1570 CB PHE A 100 -4.731 61.588 71.281 1.00 2.24 C ATOM 1571 CG PHE A 100 -5.827 62.419 70.678 1.00 42.11 C ATOM 1572 CD1 PHE A 100 -7.154 62.040 70.807 1.00 61.33 C ATOM 1573 CD2 PHE A 100 -5.531 63.579 69.981 1.00 55.03 C ATOM 1574 CE1 PHE A 100 -8.164 62.803 70.254 1.00 32.00 C ATOM 1575 CE2 PHE A 100 -6.538 64.346 69.426 1.00 50.05 C ATOM 1576 CZ PHE A 100 -7.856 63.958 69.561 1.00 3.41 C ATOM 0 H PHE A 100 -6.327 60.053 72.363 1.00 74.00 H new ATOM 0 HA PHE A 100 -3.872 61.118 73.195 1.00 11.34 H new ATOM 0 HB2 PHE A 100 -3.768 62.030 71.025 1.00 2.24 H new ATOM 0 HB3 PHE A 100 -4.753 60.593 70.836 1.00 2.24 H new ATOM 0 HD1 PHE A 100 -7.401 61.137 71.346 1.00 61.33 H new ATOM 0 HD2 PHE A 100 -4.502 63.887 69.870 1.00 55.03 H new ATOM 0 HE1 PHE A 100 -9.194 62.497 70.363 1.00 32.00 H new ATOM 0 HE2 PHE A 100 -6.294 65.249 68.887 1.00 50.05 H new ATOM 0 HZ PHE A 100 -8.644 64.555 69.126 1.00 3.41 H new ATOM 1586 N ALA A 101 -4.459 63.146 74.501 1.00 14.33 N ATOM 1587 CA ALA A 101 -4.673 64.414 75.187 1.00 41.22 C ATOM 1588 C ALA A 101 -3.411 65.271 75.160 1.00 12.23 C ATOM 1589 O ALA A 101 -3.481 66.492 75.023 1.00 11.31 O ATOM 1590 CB ALA A 101 -5.118 64.170 76.622 1.00 61.55 C ATOM 0 H ALA A 101 -3.740 62.556 74.920 1.00 14.33 H new ATOM 0 HA ALA A 101 -5.460 64.955 74.662 1.00 41.22 H new ATOM 0 HB1 ALA A 101 -5.274 65.126 77.122 1.00 61.55 H new ATOM 0 HB2 ALA A 101 -6.049 63.604 76.623 1.00 61.55 H new ATOM 0 HB3 ALA A 101 -4.350 63.605 77.150 1.00 61.55 H new ATOM 1596 N GLY A 102 -2.258 64.623 75.294 1.00 73.12 N ATOM 1597 CA GLY A 102 -0.998 65.342 75.283 1.00 61.14 C ATOM 1598 C GLY A 102 0.159 64.480 74.816 1.00 12.32 C ATOM 1599 O GLY A 102 1.269 64.579 75.341 1.00 31.32 O ATOM 0 H GLY A 102 -2.174 63.613 75.410 1.00 73.12 H new ATOM 0 HA2 GLY A 102 -1.085 66.211 74.631 1.00 61.14 H new ATOM 0 HA3 GLY A 102 -0.787 65.715 76.285 1.00 61.14 H new ATOM 1603 N LEU A 103 -0.100 63.631 73.829 1.00 32.23 N ATOM 1604 CA LEU A 103 0.927 62.745 73.291 1.00 31.23 C ATOM 1605 C LEU A 103 1.426 63.247 71.940 1.00 61.14 C ATOM 1606 O LEU A 103 2.036 62.500 71.176 1.00 5.44 O ATOM 1607 CB LEU A 103 0.380 61.323 73.150 1.00 71.52 C ATOM 1608 CG LEU A 103 -0.887 61.174 72.306 1.00 5.43 C ATOM 1609 CD1 LEU A 103 -0.560 61.305 70.826 1.00 34.32 C ATOM 1610 CD2 LEU A 103 -1.560 59.837 72.588 1.00 31.51 C ATOM 0 H LEU A 103 -1.013 63.537 73.384 1.00 32.23 H new ATOM 0 HA LEU A 103 1.766 62.737 73.987 1.00 31.23 H new ATOM 0 HB2 LEU A 103 1.159 60.697 72.715 1.00 71.52 H new ATOM 0 HB3 LEU A 103 0.177 60.932 74.147 1.00 71.52 H new ATOM 0 HG LEU A 103 -1.578 61.972 72.577 1.00 5.43 H new ATOM 0 HD11 LEU A 103 -1.473 61.196 70.241 1.00 34.32 H new ATOM 0 HD12 LEU A 103 -0.121 62.284 70.636 1.00 34.32 H new ATOM 0 HD13 LEU A 103 0.149 60.528 70.540 1.00 34.32 H new ATOM 0 HD21 LEU A 103 -2.460 59.747 71.979 1.00 31.51 H new ATOM 0 HD22 LEU A 103 -0.874 59.026 72.344 1.00 31.51 H new ATOM 0 HD23 LEU A 103 -1.828 59.780 73.643 1.00 31.51 H new