USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 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+ 151:sc= 0.011 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 149:sc= -2.97 (180deg=-4.38!) USER MOD Single : A 38 GLN : amide:sc= -2.47 K(o=-2.5,f=-3.8!) USER MOD Single : A 39 ASN : amide:sc= -3.56! K(o=-3.6!,f=-1.6) USER MOD Single : A 44 HIS : no HD1:sc= -1.14 X(o=-1.1,f=-1.4) 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 X(o=0,f=-0.097) USER MOD Single : A 57 GLN : amide:sc= -0.328 K(o=-0.33,f=-3!) USER MOD Single : A 58 SER OG : rot 180:sc= -1.04 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 51:sc= 0.494 USER MOD Single : A 65 HIS : no HE2:sc= -0.975 K(o=-0.97,f=-2.2!) USER MOD Single : A 69 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.65) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.8) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.15! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.674 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 156:sc= -0.419 (180deg=-1.71) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.265 K(o=-0.27,f=-1.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 133:sc= 0.109 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 15.511 48.667 67.610 1.00 61.53 N ATOM 249 CA LYS A 17 15.422 47.304 67.101 1.00 70.12 C ATOM 250 C LYS A 17 13.968 46.895 66.892 1.00 20.01 C ATOM 251 O LYS A 17 13.049 47.655 67.198 1.00 65.33 O ATOM 252 CB LYS A 17 16.103 46.332 68.068 1.00 21.03 C ATOM 253 CG LYS A 17 17.511 46.746 68.457 1.00 4.30 C ATOM 254 CD LYS A 17 17.918 46.151 69.794 1.00 53.14 C ATOM 255 CE LYS A 17 19.397 45.792 69.818 1.00 32.42 C ATOM 256 NZ LYS A 17 19.695 44.741 70.828 1.00 40.43 N ATOM 0 HA LYS A 17 15.933 47.268 66.139 1.00 70.12 H new ATOM 0 HB2 LYS A 17 15.497 46.246 68.970 1.00 21.03 H new ATOM 0 HB3 LYS A 17 16.137 45.343 67.611 1.00 21.03 H new ATOM 0 HG2 LYS A 17 18.212 46.425 67.686 1.00 4.30 H new ATOM 0 HG3 LYS A 17 17.570 47.833 68.508 1.00 4.30 H new ATOM 0 HD2 LYS A 17 17.702 46.863 70.591 1.00 53.14 H new ATOM 0 HD3 LYS A 17 17.323 45.260 69.993 1.00 53.14 H new ATOM 0 HE2 LYS A 17 19.703 45.445 68.831 1.00 32.42 H new ATOM 0 HE3 LYS A 17 19.984 46.684 70.038 1.00 32.42 H new ATOM 0 HZ1 LYS A 17 20.517 44.184 70.518 1.00 40.43 H new ATOM 0 HZ2 LYS A 17 19.905 45.188 71.743 1.00 40.43 H new ATOM 0 HZ3 LYS A 17 18.871 44.114 70.930 1.00 40.43 H new ATOM 270 N TRP A 18 13.767 45.690 66.369 1.00 35.11 N ATOM 271 CA TRP A 18 12.423 45.180 66.121 1.00 61.42 C ATOM 272 C TRP A 18 11.558 45.292 67.372 1.00 44.00 C ATOM 273 O TRP A 18 12.030 45.713 68.428 1.00 35.35 O ATOM 274 CB TRP A 18 12.486 43.724 65.657 1.00 42.02 C ATOM 275 CG TRP A 18 13.597 43.457 64.687 1.00 30.22 C ATOM 276 CD1 TRP A 18 14.079 44.312 63.737 1.00 41.20 C ATOM 277 CD2 TRP A 18 14.364 42.253 64.573 1.00 3.14 C ATOM 278 NE1 TRP A 18 15.099 43.711 63.038 1.00 54.42 N ATOM 279 CE2 TRP A 18 15.293 42.448 63.533 1.00 21.40 C ATOM 280 CE3 TRP A 18 14.357 41.030 65.248 1.00 1.25 C ATOM 281 CZ2 TRP A 18 16.204 41.465 63.154 1.00 31.23 C ATOM 282 CZ3 TRP A 18 15.261 40.055 64.871 1.00 12.35 C ATOM 283 CH2 TRP A 18 16.174 40.278 63.832 1.00 13.32 C ATOM 0 H TRP A 18 14.517 45.049 66.109 1.00 35.11 H new ATOM 0 HA TRP A 18 11.971 45.785 65.335 1.00 61.42 H new ATOM 0 HB2 TRP A 18 12.609 43.078 66.526 1.00 42.02 H new ATOM 0 HB3 TRP A 18 11.536 43.457 65.193 1.00 42.02 H new ATOM 0 HD1 TRP A 18 13.713 45.313 63.561 1.00 41.20 H new ATOM 0 HE1 TRP A 18 15.626 44.136 62.275 1.00 54.42 H new ATOM 0 HE3 TRP A 18 13.657 40.850 66.051 1.00 1.25 H new ATOM 0 HZ2 TRP A 18 16.909 41.634 62.353 1.00 31.23 H new ATOM 0 HZ3 TRP A 18 15.264 39.106 65.386 1.00 12.35 H new ATOM 0 HH2 TRP A 18 16.868 39.496 63.561 1.00 13.32 H new ATOM 294 N LEU A 19 10.292 44.910 67.245 1.00 74.04 N ATOM 295 CA LEU A 19 9.361 44.967 68.367 1.00 41.31 C ATOM 296 C LEU A 19 10.070 44.650 69.680 1.00 33.43 C ATOM 297 O LEU A 19 10.216 45.516 70.543 1.00 73.45 O ATOM 298 CB LEU A 19 8.207 43.987 68.148 1.00 11.33 C ATOM 299 CG LEU A 19 6.869 44.374 68.777 1.00 12.15 C ATOM 300 CD1 LEU A 19 5.855 44.728 67.700 1.00 54.34 C ATOM 301 CD2 LEU A 19 6.346 43.246 69.655 1.00 22.14 C ATOM 0 H LEU A 19 9.887 44.558 66.378 1.00 74.04 H new ATOM 0 HA LEU A 19 8.963 45.980 68.426 1.00 41.31 H new ATOM 0 HB2 LEU A 19 8.059 43.865 67.075 1.00 11.33 H new ATOM 0 HB3 LEU A 19 8.503 43.015 68.542 1.00 11.33 H new ATOM 0 HG LEU A 19 7.024 45.253 69.403 1.00 12.15 H new ATOM 0 HD11 LEU A 19 4.909 45.001 68.167 1.00 54.34 H new ATOM 0 HD12 LEU A 19 6.226 45.568 67.113 1.00 54.34 H new ATOM 0 HD13 LEU A 19 5.703 43.869 67.047 1.00 54.34 H new ATOM 0 HD21 LEU A 19 5.393 43.539 70.095 1.00 22.14 H new ATOM 0 HD22 LEU A 19 6.207 42.349 69.051 1.00 22.14 H new ATOM 0 HD23 LEU A 19 7.064 43.040 70.449 1.00 22.14 H new ATOM 313 N ASP A 20 10.509 43.405 69.823 1.00 73.11 N ATOM 314 CA ASP A 20 11.207 42.974 71.029 1.00 12.33 C ATOM 315 C ASP A 20 12.667 42.653 70.728 1.00 31.30 C ATOM 316 O ASP A 20 13.107 42.734 69.582 1.00 70.40 O ATOM 317 CB ASP A 20 10.517 41.750 71.633 1.00 15.40 C ATOM 318 CG ASP A 20 10.872 41.546 73.093 1.00 22.10 C ATOM 319 OD1 ASP A 20 10.821 42.531 73.859 1.00 65.43 O ATOM 320 OD2 ASP A 20 11.202 40.402 73.470 1.00 62.40 O ATOM 0 H ASP A 20 10.394 42.676 69.119 1.00 73.11 H new ATOM 0 HA ASP A 20 11.175 43.792 71.749 1.00 12.33 H new ATOM 0 HB2 ASP A 20 9.437 41.861 71.537 1.00 15.40 H new ATOM 0 HB3 ASP A 20 10.798 40.862 71.066 1.00 15.40 H new ATOM 325 N GLY A 21 13.415 42.290 71.766 1.00 33.31 N ATOM 326 CA GLY A 21 14.818 41.964 71.591 1.00 52.15 C ATOM 327 C GLY A 21 15.725 43.151 71.847 1.00 62.44 C ATOM 328 O GLY A 21 16.633 43.429 71.061 1.00 35.43 O ATOM 0 H GLY A 21 13.074 42.216 72.725 1.00 33.31 H new ATOM 0 HA2 GLY A 21 15.087 41.153 72.268 1.00 52.15 H new ATOM 0 HA3 GLY A 21 14.979 41.599 70.577 1.00 52.15 H new ATOM 332 N LEU A 22 15.480 43.855 72.946 1.00 61.13 N ATOM 333 CA LEU A 22 16.282 45.021 73.303 1.00 73.21 C ATOM 334 C LEU A 22 16.749 44.939 74.752 1.00 44.20 C ATOM 335 O LEU A 22 15.954 45.083 75.681 1.00 63.10 O ATOM 336 CB LEU A 22 15.475 46.304 73.087 1.00 44.32 C ATOM 337 CG LEU A 22 15.054 46.597 71.648 1.00 64.44 C ATOM 338 CD1 LEU A 22 13.793 45.826 71.292 1.00 73.01 C ATOM 339 CD2 LEU A 22 14.842 48.092 71.448 1.00 1.41 C ATOM 0 H LEU A 22 14.733 43.639 73.606 1.00 61.13 H new ATOM 0 HA LEU A 22 17.161 45.038 72.659 1.00 73.21 H new ATOM 0 HB2 LEU A 22 14.578 46.253 73.704 1.00 44.32 H new ATOM 0 HB3 LEU A 22 16.064 47.146 73.451 1.00 44.32 H new ATOM 0 HG LEU A 22 15.854 46.271 70.983 1.00 64.44 H new ATOM 0 HD11 LEU A 22 13.509 46.048 70.263 1.00 73.01 H new ATOM 0 HD12 LEU A 22 13.979 44.757 71.395 1.00 73.01 H new ATOM 0 HD13 LEU A 22 12.985 46.120 71.963 1.00 73.01 H new ATOM 0 HD21 LEU A 22 14.543 48.282 70.417 1.00 1.41 H new ATOM 0 HD22 LEU A 22 14.061 48.442 72.123 1.00 1.41 H new ATOM 0 HD23 LEU A 22 15.770 48.623 71.660 1.00 1.41 H new ATOM 351 N ARG A 23 18.045 44.706 74.938 1.00 32.22 N ATOM 352 CA ARG A 23 18.618 44.605 76.274 1.00 40.24 C ATOM 353 C ARG A 23 19.306 45.909 76.671 1.00 24.21 C ATOM 354 O ARG A 23 19.291 46.301 77.837 1.00 21.21 O ATOM 355 CB ARG A 23 19.618 43.449 76.337 1.00 11.42 C ATOM 356 CG ARG A 23 18.965 42.091 76.536 1.00 4.52 C ATOM 357 CD ARG A 23 19.869 40.964 76.059 1.00 32.44 C ATOM 358 NE ARG A 23 19.564 39.699 76.724 1.00 32.52 N ATOM 359 CZ ARG A 23 18.525 38.935 76.405 1.00 0.14 C ATOM 360 NH1 ARG A 23 17.697 39.303 75.437 1.00 72.03 N ATOM 361 NH2 ARG A 23 18.313 37.797 77.055 1.00 52.41 N ATOM 0 H ARG A 23 18.717 44.584 74.180 1.00 32.22 H new ATOM 0 HA ARG A 23 17.807 44.414 76.976 1.00 40.24 H new ATOM 0 HB2 ARG A 23 20.200 43.432 75.415 1.00 11.42 H new ATOM 0 HB3 ARG A 23 20.318 43.629 77.152 1.00 11.42 H new ATOM 0 HG2 ARG A 23 18.731 41.950 77.591 1.00 4.52 H new ATOM 0 HG3 ARG A 23 18.021 42.057 75.993 1.00 4.52 H new ATOM 0 HD2 ARG A 23 19.759 40.843 74.981 1.00 32.44 H new ATOM 0 HD3 ARG A 23 20.909 41.230 76.246 1.00 32.44 H new ATOM 0 HE ARG A 23 20.182 39.386 77.473 1.00 32.52 H new ATOM 0 HH11 ARG A 23 17.856 40.176 74.934 1.00 72.03 H new ATOM 0 HH12 ARG A 23 16.901 38.713 75.195 1.00 72.03 H new ATOM 0 HH21 ARG A 23 18.948 37.509 77.800 1.00 52.41 H new ATOM 0 HH22 ARG A 23 17.515 37.211 76.810 1.00 52.41 H new ATOM 449 N GLN A 30 7.423 50.582 76.408 1.00 3.41 N ATOM 450 CA GLN A 30 6.530 51.478 75.682 1.00 42.22 C ATOM 451 C GLN A 30 7.160 51.924 74.366 1.00 34.15 C ATOM 452 O GLN A 30 6.458 52.204 73.395 1.00 61.21 O ATOM 453 CB GLN A 30 6.193 52.700 76.539 1.00 3.30 C ATOM 454 CG GLN A 30 4.838 52.607 77.222 1.00 52.35 C ATOM 455 CD GLN A 30 4.601 53.738 78.204 1.00 43.01 C ATOM 456 OE1 GLN A 30 4.222 54.844 77.816 1.00 41.12 O ATOM 457 NE2 GLN A 30 4.825 53.467 79.485 1.00 44.24 N ATOM 0 HA GLN A 30 5.612 50.934 75.459 1.00 42.22 H new ATOM 0 HB2 GLN A 30 6.965 52.826 77.298 1.00 3.30 H new ATOM 0 HB3 GLN A 30 6.214 53.591 75.911 1.00 3.30 H new ATOM 0 HG2 GLN A 30 4.053 52.617 76.466 1.00 52.35 H new ATOM 0 HG3 GLN A 30 4.764 51.654 77.746 1.00 52.35 H new ATOM 0 HE21 GLN A 30 5.138 52.537 79.762 1.00 44.24 H new ATOM 0 HE22 GLN A 30 4.684 54.189 80.191 1.00 44.24 H new ATOM 466 N GLY A 31 8.488 51.987 74.342 1.00 20.42 N ATOM 467 CA GLY A 31 9.188 52.400 73.139 1.00 14.33 C ATOM 468 C GLY A 31 8.589 51.799 71.884 1.00 24.03 C ATOM 469 O GLY A 31 8.633 52.407 70.814 1.00 14.40 O ATOM 0 H GLY A 31 9.091 51.760 75.133 1.00 20.42 H new ATOM 0 HA2 GLY A 31 9.165 53.487 73.064 1.00 14.33 H new ATOM 0 HA3 GLY A 31 10.235 52.108 73.214 1.00 14.33 H new ATOM 473 N ASP A 32 8.031 50.600 72.013 1.00 60.32 N ATOM 474 CA ASP A 32 7.421 49.915 70.878 1.00 54.15 C ATOM 475 C ASP A 32 6.324 50.770 70.253 1.00 71.42 C ATOM 476 O ASP A 32 6.379 51.101 69.068 1.00 12.34 O ATOM 477 CB ASP A 32 6.847 48.568 71.318 1.00 4.11 C ATOM 478 CG ASP A 32 5.928 48.693 72.518 1.00 62.44 C ATOM 479 OD1 ASP A 32 6.118 49.637 73.314 1.00 42.14 O ATOM 480 OD2 ASP A 32 5.020 47.850 72.660 1.00 10.15 O ATOM 0 H ASP A 32 7.988 50.083 72.891 1.00 60.32 H new ATOM 0 HA ASP A 32 8.194 49.745 70.129 1.00 54.15 H new ATOM 0 HB2 ASP A 32 6.298 48.122 70.489 1.00 4.11 H new ATOM 0 HB3 ASP A 32 7.665 47.890 71.560 1.00 4.11 H new ATOM 485 N VAL A 33 5.326 51.125 71.057 1.00 61.24 N ATOM 486 CA VAL A 33 4.215 51.942 70.583 1.00 43.34 C ATOM 487 C VAL A 33 4.571 53.424 70.614 1.00 21.04 C ATOM 488 O VAL A 33 4.299 54.160 69.664 1.00 12.35 O ATOM 489 CB VAL A 33 2.948 51.710 71.427 1.00 32.40 C ATOM 490 CG1 VAL A 33 1.795 52.552 70.902 1.00 40.33 C ATOM 491 CG2 VAL A 33 2.579 50.235 71.439 1.00 70.10 C ATOM 0 H VAL A 33 5.264 50.859 72.040 1.00 61.24 H new ATOM 0 HA VAL A 33 4.016 51.641 69.554 1.00 43.34 H new ATOM 0 HB VAL A 33 3.154 52.018 72.452 1.00 32.40 H new ATOM 0 HG11 VAL A 33 0.908 52.375 71.511 1.00 40.33 H new ATOM 0 HG12 VAL A 33 2.064 53.607 70.950 1.00 40.33 H new ATOM 0 HG13 VAL A 33 1.586 52.278 69.868 1.00 40.33 H new ATOM 0 HG21 VAL A 33 1.681 50.089 72.040 1.00 70.10 H new ATOM 0 HG22 VAL A 33 2.391 49.899 70.419 1.00 70.10 H new ATOM 0 HG23 VAL A 33 3.399 49.658 71.866 1.00 70.10 H new ATOM 501 N LYS A 34 5.180 53.857 71.713 1.00 34.35 N ATOM 502 CA LYS A 34 5.575 55.252 71.870 1.00 22.13 C ATOM 503 C LYS A 34 6.194 55.790 70.583 1.00 22.13 C ATOM 504 O LYS A 34 5.985 56.947 70.219 1.00 55.21 O ATOM 505 CB LYS A 34 6.567 55.395 73.024 1.00 55.55 C ATOM 506 CG LYS A 34 7.156 56.790 73.152 1.00 34.35 C ATOM 507 CD LYS A 34 7.687 57.046 74.552 1.00 71.24 C ATOM 508 CE LYS A 34 9.107 57.590 74.519 1.00 21.02 C ATOM 509 NZ LYS A 34 9.286 58.732 75.458 1.00 20.30 N ATOM 0 H LYS A 34 5.411 53.262 72.508 1.00 34.35 H new ATOM 0 HA LYS A 34 4.681 55.834 72.094 1.00 22.13 H new ATOM 0 HB2 LYS A 34 6.066 55.134 73.957 1.00 55.55 H new ATOM 0 HB3 LYS A 34 7.377 54.679 72.886 1.00 55.55 H new ATOM 0 HG2 LYS A 34 7.962 56.913 72.428 1.00 34.35 H new ATOM 0 HG3 LYS A 34 6.394 57.531 72.910 1.00 34.35 H new ATOM 0 HD2 LYS A 34 7.037 57.755 75.065 1.00 71.24 H new ATOM 0 HD3 LYS A 34 7.664 56.120 75.126 1.00 71.24 H new ATOM 0 HE2 LYS A 34 9.806 56.795 74.777 1.00 21.02 H new ATOM 0 HE3 LYS A 34 9.349 57.911 73.506 1.00 21.02 H new ATOM 0 HZ1 LYS A 34 10.267 59.074 75.406 1.00 20.30 H new ATOM 0 HZ2 LYS A 34 8.637 59.501 75.197 1.00 20.30 H new ATOM 0 HZ3 LYS A 34 9.080 58.419 76.428 1.00 20.30 H new ATOM 523 N VAL A 35 6.955 54.943 69.898 1.00 10.33 N ATOM 524 CA VAL A 35 7.602 55.332 68.651 1.00 30.34 C ATOM 525 C VAL A 35 6.705 55.041 67.453 1.00 41.20 C ATOM 526 O VAL A 35 6.895 55.600 66.373 1.00 32.25 O ATOM 527 CB VAL A 35 8.945 54.602 68.463 1.00 10.24 C ATOM 528 CG1 VAL A 35 9.837 54.803 69.679 1.00 15.01 C ATOM 529 CG2 VAL A 35 8.713 53.122 68.201 1.00 21.14 C ATOM 0 H VAL A 35 7.139 53.982 70.186 1.00 10.33 H new ATOM 0 HA VAL A 35 7.786 56.405 68.711 1.00 30.34 H new ATOM 0 HB VAL A 35 9.452 55.027 67.597 1.00 10.24 H new ATOM 0 HG11 VAL A 35 10.781 54.280 69.528 1.00 15.01 H new ATOM 0 HG12 VAL A 35 10.029 55.867 69.817 1.00 15.01 H new ATOM 0 HG13 VAL A 35 9.340 54.406 70.564 1.00 15.01 H new ATOM 0 HG21 VAL A 35 9.672 52.621 68.070 1.00 21.14 H new ATOM 0 HG22 VAL A 35 8.185 52.681 69.047 1.00 21.14 H new ATOM 0 HG23 VAL A 35 8.115 53.002 67.298 1.00 21.14 H new ATOM 539 N TRP A 36 5.728 54.163 67.651 1.00 42.15 N ATOM 540 CA TRP A 36 4.802 53.797 66.585 1.00 52.13 C ATOM 541 C TRP A 36 4.362 55.028 65.801 1.00 3.31 C ATOM 542 O TRP A 36 4.121 54.953 64.596 1.00 75.33 O ATOM 543 CB TRP A 36 3.581 53.084 67.167 1.00 14.41 C ATOM 544 CG TRP A 36 2.557 52.721 66.134 1.00 44.51 C ATOM 545 CD1 TRP A 36 1.902 53.575 65.293 1.00 45.04 C ATOM 546 CD2 TRP A 36 2.070 51.407 65.835 1.00 72.45 C ATOM 547 NE1 TRP A 36 1.038 52.872 64.489 1.00 52.14 N ATOM 548 CE2 TRP A 36 1.123 51.541 64.801 1.00 73.02 C ATOM 549 CE3 TRP A 36 2.344 50.133 66.338 1.00 22.03 C ATOM 550 CZ2 TRP A 36 0.448 50.447 64.264 1.00 41.03 C ATOM 551 CZ3 TRP A 36 1.674 49.049 65.804 1.00 61.52 C ATOM 552 CH2 TRP A 36 0.736 49.211 64.776 1.00 63.31 C ATOM 0 H TRP A 36 5.557 53.692 68.539 1.00 42.15 H new ATOM 0 HA TRP A 36 5.318 53.121 65.903 1.00 52.13 H new ATOM 0 HB2 TRP A 36 3.907 52.179 67.679 1.00 14.41 H new ATOM 0 HB3 TRP A 36 3.118 53.725 67.917 1.00 14.41 H new ATOM 0 HD1 TRP A 36 2.043 54.645 65.264 1.00 45.04 H new ATOM 0 HE1 TRP A 36 0.431 53.276 63.775 1.00 52.14 H new ATOM 0 HE3 TRP A 36 3.066 49.998 67.130 1.00 22.03 H new ATOM 0 HZ2 TRP A 36 -0.276 50.570 63.472 1.00 41.03 H new ATOM 0 HZ3 TRP A 36 1.877 48.059 66.186 1.00 61.52 H new ATOM 0 HH2 TRP A 36 0.230 48.343 64.380 1.00 63.31 H new ATOM 563 N MET A 37 4.259 56.159 66.491 1.00 44.13 N ATOM 564 CA MET A 37 3.849 57.406 65.857 1.00 30.41 C ATOM 565 C MET A 37 5.033 58.086 65.178 1.00 62.13 C ATOM 566 O MET A 37 4.976 58.414 63.993 1.00 52.41 O ATOM 567 CB MET A 37 3.229 58.349 66.890 1.00 20.12 C ATOM 568 CG MET A 37 4.122 58.606 68.092 1.00 51.04 C ATOM 569 SD MET A 37 3.192 58.761 69.629 1.00 43.21 S ATOM 570 CE MET A 37 2.475 57.125 69.757 1.00 43.23 C ATOM 0 H MET A 37 4.454 56.237 67.489 1.00 44.13 H new ATOM 0 HA MET A 37 3.104 57.170 65.098 1.00 30.41 H new ATOM 0 HB2 MET A 37 2.998 59.300 66.409 1.00 20.12 H new ATOM 0 HB3 MET A 37 2.284 57.928 67.233 1.00 20.12 H new ATOM 0 HG2 MET A 37 4.840 57.791 68.187 1.00 51.04 H new ATOM 0 HG3 MET A 37 4.695 59.518 67.925 1.00 51.04 H new ATOM 0 HE1 MET A 37 2.358 56.860 70.808 1.00 43.23 H new ATOM 0 HE2 MET A 37 1.500 57.116 69.269 1.00 43.23 H new ATOM 0 HE3 MET A 37 3.130 56.402 69.272 1.00 43.23 H new ATOM 580 N GLN A 38 6.106 58.294 65.936 1.00 10.25 N ATOM 581 CA GLN A 38 7.302 58.936 65.406 1.00 21.30 C ATOM 582 C GLN A 38 7.796 58.218 64.154 1.00 70.05 C ATOM 583 O GLN A 38 8.414 58.827 63.281 1.00 20.13 O ATOM 584 CB GLN A 38 8.406 58.957 66.464 1.00 73.04 C ATOM 585 CG GLN A 38 9.265 57.703 66.474 1.00 12.14 C ATOM 586 CD GLN A 38 10.476 57.817 65.571 1.00 61.34 C ATOM 587 OE1 GLN A 38 10.469 58.568 64.594 1.00 12.43 O ATOM 588 NE2 GLN A 38 11.528 57.072 65.893 1.00 54.33 N ATOM 0 H GLN A 38 6.170 58.027 66.918 1.00 10.25 H new ATOM 0 HA GLN A 38 7.045 59.961 65.138 1.00 21.30 H new ATOM 0 HB2 GLN A 38 9.045 59.823 66.293 1.00 73.04 H new ATOM 0 HB3 GLN A 38 7.953 59.084 67.447 1.00 73.04 H new ATOM 0 HG2 GLN A 38 9.595 57.501 67.493 1.00 12.14 H new ATOM 0 HG3 GLN A 38 8.661 56.851 66.160 1.00 12.14 H new ATOM 0 HE21 GLN A 38 11.491 56.464 66.711 1.00 54.33 H new ATOM 0 HE22 GLN A 38 12.373 57.108 65.322 1.00 54.33 H new ATOM 597 N ASN A 39 7.519 56.921 64.074 1.00 61.32 N ATOM 598 CA ASN A 39 7.936 56.120 62.929 1.00 4.20 C ATOM 599 C ASN A 39 7.207 56.560 61.663 1.00 40.23 C ATOM 600 O ASN A 39 7.826 56.769 60.618 1.00 14.23 O ATOM 601 CB ASN A 39 7.671 54.636 63.194 1.00 71.15 C ATOM 602 CG ASN A 39 8.947 53.817 63.222 1.00 24.25 C ATOM 603 OD1 ASN A 39 9.198 53.071 64.168 1.00 22.02 O ATOM 604 ND2 ASN A 39 9.760 53.953 62.181 1.00 43.55 N ATOM 0 H ASN A 39 7.008 56.402 64.788 1.00 61.32 H new ATOM 0 HA ASN A 39 9.006 56.271 62.782 1.00 4.20 H new ATOM 0 HB2 ASN A 39 7.151 54.527 64.146 1.00 71.15 H new ATOM 0 HB3 ASN A 39 7.008 54.245 62.422 1.00 71.15 H new ATOM 0 HD21 ASN A 39 10.633 53.427 62.144 1.00 43.55 H new ATOM 0 HD22 ASN A 39 9.511 54.583 61.419 1.00 43.55 H new ATOM 611 N LEU A 40 5.891 56.699 61.763 1.00 34.11 N ATOM 612 CA LEU A 40 5.076 57.115 60.627 1.00 21.33 C ATOM 613 C LEU A 40 5.253 58.604 60.346 1.00 3.41 C ATOM 614 O LEU A 40 5.484 59.007 59.206 1.00 2.05 O ATOM 615 CB LEU A 40 3.602 56.806 60.890 1.00 30.04 C ATOM 616 CG LEU A 40 3.314 55.822 62.025 1.00 53.22 C ATOM 617 CD1 LEU A 40 1.849 55.416 62.021 1.00 53.13 C ATOM 618 CD2 LEU A 40 4.210 54.598 61.909 1.00 12.53 C ATOM 0 H LEU A 40 5.364 56.530 62.620 1.00 34.11 H new ATOM 0 HA LEU A 40 5.407 56.557 59.751 1.00 21.33 H new ATOM 0 HB2 LEU A 40 3.089 57.742 61.109 1.00 30.04 H new ATOM 0 HB3 LEU A 40 3.165 56.410 59.973 1.00 30.04 H new ATOM 0 HG LEU A 40 3.529 56.316 62.972 1.00 53.22 H new ATOM 0 HD11 LEU A 40 1.663 54.716 62.835 1.00 53.13 H new ATOM 0 HD12 LEU A 40 1.226 56.300 62.154 1.00 53.13 H new ATOM 0 HD13 LEU A 40 1.606 54.940 61.071 1.00 53.13 H new ATOM 0 HD21 LEU A 40 3.992 53.909 62.725 1.00 12.53 H new ATOM 0 HD22 LEU A 40 4.027 54.102 60.956 1.00 12.53 H new ATOM 0 HD23 LEU A 40 5.254 54.905 61.963 1.00 12.53 H new ATOM 630 N GLU A 41 5.146 59.416 61.393 1.00 1.14 N ATOM 631 CA GLU A 41 5.295 60.859 61.259 1.00 65.54 C ATOM 632 C GLU A 41 6.496 61.202 60.381 1.00 32.23 C ATOM 633 O GLU A 41 6.448 62.141 59.585 1.00 64.14 O ATOM 634 CB GLU A 41 5.455 61.508 62.635 1.00 34.32 C ATOM 635 CG GLU A 41 4.764 62.857 62.756 1.00 21.10 C ATOM 636 CD GLU A 41 4.966 63.496 64.116 1.00 2.11 C ATOM 637 OE1 GLU A 41 6.134 63.696 64.509 1.00 60.04 O ATOM 638 OE2 GLU A 41 3.957 63.796 64.786 1.00 33.11 O ATOM 0 H GLU A 41 4.957 59.098 62.344 1.00 1.14 H new ATOM 0 HA GLU A 41 4.395 61.249 60.784 1.00 65.54 H new ATOM 0 HB2 GLU A 41 5.055 60.835 63.394 1.00 34.32 H new ATOM 0 HB3 GLU A 41 6.517 61.633 62.847 1.00 34.32 H new ATOM 0 HG2 GLU A 41 5.144 63.526 61.984 1.00 21.10 H new ATOM 0 HG3 GLU A 41 3.697 62.732 62.572 1.00 21.10 H new ATOM 645 N ASP A 42 7.570 60.435 60.532 1.00 53.53 N ATOM 646 CA ASP A 42 8.783 60.657 59.754 1.00 5.31 C ATOM 647 C ASP A 42 8.684 59.982 58.389 1.00 5.51 C ATOM 648 O ASP A 42 9.382 60.358 57.446 1.00 2.51 O ATOM 649 CB ASP A 42 10.004 60.129 60.510 1.00 13.12 C ATOM 650 CG ASP A 42 11.025 61.214 60.789 1.00 41.02 C ATOM 651 OD1 ASP A 42 10.759 62.069 61.660 1.00 54.45 O ATOM 652 OD2 ASP A 42 12.090 61.208 60.138 1.00 32.34 O ATOM 0 H ASP A 42 7.625 59.654 61.186 1.00 53.53 H new ATOM 0 HA ASP A 42 8.896 61.730 59.602 1.00 5.31 H new ATOM 0 HB2 ASP A 42 9.681 59.687 61.453 1.00 13.12 H new ATOM 0 HB3 ASP A 42 10.472 59.334 59.929 1.00 13.12 H new ATOM 657 N LEU A 43 7.814 58.983 58.291 1.00 31.23 N ATOM 658 CA LEU A 43 7.623 58.253 57.043 1.00 62.33 C ATOM 659 C LEU A 43 6.610 58.960 56.148 1.00 35.01 C ATOM 660 O LEU A 43 6.926 59.353 55.024 1.00 33.53 O ATOM 661 CB LEU A 43 7.158 56.824 57.328 1.00 13.00 C ATOM 662 CG LEU A 43 7.628 55.755 56.342 1.00 53.33 C ATOM 663 CD1 LEU A 43 7.228 56.126 54.922 1.00 60.15 C ATOM 664 CD2 LEU A 43 9.134 55.564 56.441 1.00 42.22 C ATOM 0 H LEU A 43 7.229 58.660 59.062 1.00 31.23 H new ATOM 0 HA LEU A 43 8.580 58.219 56.522 1.00 62.33 H new ATOM 0 HB2 LEU A 43 7.499 56.545 58.325 1.00 13.00 H new ATOM 0 HB3 LEU A 43 6.068 56.816 57.350 1.00 13.00 H new ATOM 0 HG LEU A 43 7.145 54.813 56.599 1.00 53.33 H new ATOM 0 HD11 LEU A 43 7.571 55.353 54.234 1.00 60.15 H new ATOM 0 HD12 LEU A 43 6.143 56.211 54.860 1.00 60.15 H new ATOM 0 HD13 LEU A 43 7.683 57.079 54.653 1.00 60.15 H new ATOM 0 HD21 LEU A 43 9.451 54.799 55.732 1.00 42.22 H new ATOM 0 HD22 LEU A 43 9.636 56.504 56.210 1.00 42.22 H new ATOM 0 HD23 LEU A 43 9.396 55.252 57.452 1.00 42.22 H new ATOM 676 N HIS A 44 5.392 59.122 56.655 1.00 43.22 N ATOM 677 CA HIS A 44 4.333 59.784 55.902 1.00 55.20 C ATOM 678 C HIS A 44 4.875 60.999 55.155 1.00 75.00 C ATOM 679 O HIS A 44 4.500 61.255 54.011 1.00 61.33 O ATOM 680 CB HIS A 44 3.202 60.211 56.841 1.00 61.22 C ATOM 681 CG HIS A 44 2.016 60.782 56.128 1.00 60.41 C ATOM 682 ND1 HIS A 44 0.962 60.011 55.683 1.00 53.14 N ATOM 683 CD2 HIS A 44 1.718 62.057 55.784 1.00 42.21 C ATOM 684 CE1 HIS A 44 0.069 60.788 55.095 1.00 23.10 C ATOM 685 NE2 HIS A 44 0.504 62.034 55.144 1.00 23.22 N ATOM 0 H HIS A 44 5.114 58.804 57.584 1.00 43.22 H new ATOM 0 HA HIS A 44 3.942 59.075 55.172 1.00 55.20 H new ATOM 0 HB2 HIS A 44 2.883 59.349 57.428 1.00 61.22 H new ATOM 0 HB3 HIS A 44 3.584 60.951 57.544 1.00 61.22 H new ATOM 0 HD2 HIS A 44 2.323 62.930 55.977 1.00 42.21 H new ATOM 0 HE1 HIS A 44 -0.859 60.460 54.650 1.00 23.10 H new ATOM 0 HE2 HIS A 44 0.017 62.847 54.767 1.00 23.22 H new ATOM 693 N THR A 45 5.759 61.745 55.811 1.00 60.34 N ATOM 694 CA THR A 45 6.351 62.933 55.210 1.00 10.10 C ATOM 695 C THR A 45 6.809 62.657 53.782 1.00 34.43 C ATOM 696 O THR A 45 6.639 63.492 52.893 1.00 35.02 O ATOM 697 CB THR A 45 7.551 63.440 56.032 1.00 53.04 C ATOM 698 OG1 THR A 45 7.897 64.769 55.626 1.00 13.20 O ATOM 699 CG2 THR A 45 8.752 62.523 55.859 1.00 11.43 C ATOM 0 H THR A 45 6.080 61.547 56.759 1.00 60.34 H new ATOM 0 HA THR A 45 5.577 63.700 55.199 1.00 10.10 H new ATOM 0 HB THR A 45 7.266 63.445 57.084 1.00 53.04 H new ATOM 0 HG1 THR A 45 8.660 65.084 56.154 1.00 13.20 H new ATOM 0 HG21 THR A 45 9.587 62.902 56.449 1.00 11.43 H new ATOM 0 HG22 THR A 45 8.495 61.519 56.197 1.00 11.43 H new ATOM 0 HG23 THR A 45 9.036 62.490 54.807 1.00 11.43 H new ATOM 707 N ARG A 46 7.389 61.481 53.568 1.00 11.22 N ATOM 708 CA ARG A 46 7.871 61.096 52.248 1.00 65.23 C ATOM 709 C ARG A 46 6.898 60.135 51.572 1.00 15.41 C ATOM 710 O ARG A 46 6.510 60.336 50.422 1.00 30.14 O ATOM 711 CB ARG A 46 9.253 60.448 52.355 1.00 45.10 C ATOM 712 CG ARG A 46 10.394 61.378 51.976 1.00 22.31 C ATOM 713 CD ARG A 46 11.573 60.609 51.401 1.00 60.01 C ATOM 714 NE ARG A 46 12.582 61.498 50.833 1.00 34.02 N ATOM 715 CZ ARG A 46 12.448 62.109 49.661 1.00 25.44 C ATOM 716 NH1 ARG A 46 11.352 61.927 48.936 1.00 15.40 N ATOM 717 NH2 ARG A 46 13.410 62.904 49.211 1.00 3.43 N ATOM 0 H ARG A 46 7.536 60.778 54.292 1.00 11.22 H new ATOM 0 HA ARG A 46 7.946 61.997 51.640 1.00 65.23 H new ATOM 0 HB2 ARG A 46 9.403 60.100 53.377 1.00 45.10 H new ATOM 0 HB3 ARG A 46 9.283 59.569 51.711 1.00 45.10 H new ATOM 0 HG2 ARG A 46 10.043 62.107 51.246 1.00 22.31 H new ATOM 0 HG3 ARG A 46 10.716 61.937 52.855 1.00 22.31 H new ATOM 0 HD2 ARG A 46 12.026 60.001 52.184 1.00 60.01 H new ATOM 0 HD3 ARG A 46 11.218 59.924 50.631 1.00 60.01 H new ATOM 0 HE ARG A 46 13.437 61.659 51.365 1.00 34.02 H new ATOM 0 HH11 ARG A 46 10.610 61.317 49.278 1.00 15.40 H new ATOM 0 HH12 ARG A 46 11.252 62.397 48.036 1.00 15.40 H new ATOM 0 HH21 ARG A 46 14.254 63.047 49.765 1.00 3.43 H new ATOM 0 HH22 ARG A 46 13.305 63.372 48.311 1.00 3.43 H new ATOM 731 N ARG A 47 6.508 59.090 52.296 1.00 41.34 N ATOM 732 CA ARG A 47 5.582 58.097 51.766 1.00 62.33 C ATOM 733 C ARG A 47 4.434 57.850 52.740 1.00 34.24 C ATOM 734 O ARG A 47 4.619 57.317 53.834 1.00 72.35 O ATOM 735 CB ARG A 47 6.315 56.785 51.483 1.00 1.14 C ATOM 736 CG ARG A 47 6.017 56.205 50.110 1.00 30.24 C ATOM 737 CD ARG A 47 6.731 56.976 49.011 1.00 55.14 C ATOM 738 NE ARG A 47 7.663 56.133 48.266 1.00 34.31 N ATOM 739 CZ ARG A 47 8.135 56.445 47.065 1.00 62.01 C ATOM 740 NH1 ARG A 47 7.766 57.574 46.475 1.00 54.31 N ATOM 741 NH2 ARG A 47 8.979 55.627 46.450 1.00 3.52 N ATOM 0 H ARG A 47 6.819 58.910 53.251 1.00 41.34 H new ATOM 0 HA ARG A 47 5.169 58.483 50.834 1.00 62.33 H new ATOM 0 HB2 ARG A 47 7.388 56.952 51.573 1.00 1.14 H new ATOM 0 HB3 ARG A 47 6.041 56.054 52.244 1.00 1.14 H new ATOM 0 HG2 ARG A 47 6.325 55.160 50.081 1.00 30.24 H new ATOM 0 HG3 ARG A 47 4.942 56.226 49.931 1.00 30.24 H new ATOM 0 HD2 ARG A 47 5.995 57.395 48.326 1.00 55.14 H new ATOM 0 HD3 ARG A 47 7.272 57.814 49.450 1.00 55.14 H new ATOM 0 HE ARG A 47 7.968 55.257 48.692 1.00 34.31 H new ATOM 0 HH11 ARG A 47 7.117 58.206 46.944 1.00 54.31 H new ATOM 0 HH12 ARG A 47 8.131 57.810 45.552 1.00 54.31 H new ATOM 0 HH21 ARG A 47 9.266 54.758 46.900 1.00 3.52 H new ATOM 0 HH22 ARG A 47 9.341 55.867 45.527 1.00 3.52 H new ATOM 755 N PRO A 48 3.218 58.248 52.336 1.00 63.23 N ATOM 756 CA PRO A 48 2.016 58.081 53.158 1.00 71.24 C ATOM 757 C PRO A 48 1.602 56.619 53.288 1.00 55.32 C ATOM 758 O PRO A 48 1.071 56.205 54.319 1.00 22.12 O ATOM 759 CB PRO A 48 0.951 58.872 52.394 1.00 60.00 C ATOM 760 CG PRO A 48 1.421 58.874 50.980 1.00 43.32 C ATOM 761 CD PRO A 48 2.924 58.891 51.044 1.00 31.01 C ATOM 0 HA PRO A 48 2.170 58.425 54.181 1.00 71.24 H new ATOM 0 HB2 PRO A 48 -0.030 58.405 52.484 1.00 60.00 H new ATOM 0 HB3 PRO A 48 0.858 59.887 52.781 1.00 60.00 H new ATOM 0 HG2 PRO A 48 1.063 57.992 50.448 1.00 43.32 H new ATOM 0 HG3 PRO A 48 1.043 59.745 50.444 1.00 43.32 H new ATOM 0 HD2 PRO A 48 3.368 58.343 50.213 1.00 31.01 H new ATOM 0 HD3 PRO A 48 3.316 59.907 51.002 1.00 31.01 H new ATOM 769 N ASP A 49 1.848 55.843 52.238 1.00 41.13 N ATOM 770 CA ASP A 49 1.502 54.427 52.237 1.00 52.11 C ATOM 771 C ASP A 49 2.559 53.608 52.970 1.00 41.42 C ATOM 772 O ASP A 49 2.235 52.758 53.798 1.00 4.33 O ATOM 773 CB ASP A 49 1.350 53.919 50.802 1.00 2.14 C ATOM 774 CG ASP A 49 0.823 52.498 50.744 1.00 61.25 C ATOM 775 OD1 ASP A 49 -0.138 52.191 51.480 1.00 32.25 O ATOM 776 OD2 ASP A 49 1.371 51.694 49.962 1.00 65.41 O ATOM 0 H ASP A 49 2.286 56.171 51.377 1.00 41.13 H new ATOM 0 HA ASP A 49 0.552 54.310 52.759 1.00 52.11 H new ATOM 0 HB2 ASP A 49 0.674 54.577 50.256 1.00 2.14 H new ATOM 0 HB3 ASP A 49 2.316 53.966 50.299 1.00 2.14 H new ATOM 781 N GLU A 50 3.825 53.871 52.660 1.00 21.32 N ATOM 782 CA GLU A 50 4.930 53.157 53.288 1.00 32.13 C ATOM 783 C GLU A 50 4.943 53.394 54.796 1.00 22.11 C ATOM 784 O GLU A 50 5.627 52.691 55.540 1.00 24.12 O ATOM 785 CB GLU A 50 6.263 53.596 52.680 1.00 64.03 C ATOM 786 CG GLU A 50 7.284 52.475 52.574 1.00 33.25 C ATOM 787 CD GLU A 50 6.791 51.315 51.731 1.00 21.11 C ATOM 788 OE1 GLU A 50 6.042 50.470 52.264 1.00 14.12 O ATOM 789 OE2 GLU A 50 7.155 51.253 50.538 1.00 14.02 O ATOM 0 H GLU A 50 4.110 54.573 51.978 1.00 21.32 H new ATOM 0 HA GLU A 50 4.790 52.091 53.106 1.00 32.13 H new ATOM 0 HB2 GLU A 50 6.082 54.006 51.686 1.00 64.03 H new ATOM 0 HB3 GLU A 50 6.681 54.400 53.285 1.00 64.03 H new ATOM 0 HG2 GLU A 50 8.205 52.867 52.143 1.00 33.25 H new ATOM 0 HG3 GLU A 50 7.528 52.115 53.574 1.00 33.25 H new ATOM 796 N PHE A 51 4.184 54.391 55.238 1.00 1.51 N ATOM 797 CA PHE A 51 4.110 54.723 56.656 1.00 34.31 C ATOM 798 C PHE A 51 3.992 53.461 57.505 1.00 41.20 C ATOM 799 O PHE A 51 4.718 53.287 58.485 1.00 34.33 O ATOM 800 CB PHE A 51 2.917 55.643 56.924 1.00 63.23 C ATOM 801 CG PHE A 51 1.798 54.974 57.669 1.00 2.41 C ATOM 802 CD1 PHE A 51 2.010 54.439 58.930 1.00 71.21 C ATOM 803 CD2 PHE A 51 0.534 54.878 57.109 1.00 5.43 C ATOM 804 CE1 PHE A 51 0.983 53.823 59.619 1.00 2.21 C ATOM 805 CE2 PHE A 51 -0.497 54.262 57.793 1.00 72.14 C ATOM 806 CZ PHE A 51 -0.272 53.733 59.049 1.00 35.41 C ATOM 0 H PHE A 51 3.612 54.983 54.635 1.00 1.51 H new ATOM 0 HA PHE A 51 5.029 55.240 56.931 1.00 34.31 H new ATOM 0 HB2 PHE A 51 3.256 56.508 57.494 1.00 63.23 H new ATOM 0 HB3 PHE A 51 2.537 56.018 55.974 1.00 63.23 H new ATOM 0 HD1 PHE A 51 2.990 54.504 59.379 1.00 71.21 H new ATOM 0 HD2 PHE A 51 0.353 55.289 56.127 1.00 5.43 H new ATOM 0 HE1 PHE A 51 1.161 53.412 60.602 1.00 2.21 H new ATOM 0 HE2 PHE A 51 -1.478 54.194 57.346 1.00 72.14 H new ATOM 0 HZ PHE A 51 -1.076 53.250 59.584 1.00 35.41 H new ATOM 816 N THR A 52 3.073 52.580 57.123 1.00 22.33 N ATOM 817 CA THR A 52 2.858 51.335 57.848 1.00 11.44 C ATOM 818 C THR A 52 4.078 50.426 57.753 1.00 55.54 C ATOM 819 O THR A 52 4.303 49.579 58.619 1.00 31.54 O ATOM 820 CB THR A 52 1.627 50.578 57.314 1.00 52.10 C ATOM 821 OG1 THR A 52 1.924 49.997 56.039 1.00 34.30 O ATOM 822 CG2 THR A 52 0.432 51.511 57.187 1.00 22.23 C ATOM 0 H THR A 52 2.465 52.707 56.314 1.00 22.33 H new ATOM 0 HA THR A 52 2.687 51.603 58.891 1.00 11.44 H new ATOM 0 HB THR A 52 1.377 49.788 58.023 1.00 52.10 H new ATOM 0 HG1 THR A 52 1.137 49.516 55.707 1.00 34.30 H new ATOM 0 HG21 THR A 52 -0.425 50.955 56.808 1.00 22.23 H new ATOM 0 HG22 THR A 52 0.191 51.928 58.165 1.00 22.23 H new ATOM 0 HG23 THR A 52 0.673 52.320 56.497 1.00 22.23 H new ATOM 830 N ALA A 53 4.866 50.608 56.699 1.00 73.40 N ATOM 831 CA ALA A 53 6.066 49.806 56.493 1.00 54.21 C ATOM 832 C ALA A 53 7.055 49.996 57.639 1.00 5.40 C ATOM 833 O ALA A 53 7.953 49.177 57.838 1.00 21.12 O ATOM 834 CB ALA A 53 6.719 50.163 55.167 1.00 2.02 C ATOM 0 H ALA A 53 4.695 51.304 55.974 1.00 73.40 H new ATOM 0 HA ALA A 53 5.772 48.757 56.469 1.00 54.21 H new ATOM 0 HB1 ALA A 53 7.614 49.556 55.027 1.00 2.02 H new ATOM 0 HB2 ALA A 53 6.019 49.971 54.354 1.00 2.02 H new ATOM 0 HB3 ALA A 53 6.993 51.218 55.169 1.00 2.02 H new ATOM 840 N ARG A 54 6.885 51.079 58.389 1.00 34.31 N ATOM 841 CA ARG A 54 7.764 51.376 59.513 1.00 55.21 C ATOM 842 C ARG A 54 7.528 50.398 60.661 1.00 74.00 C ATOM 843 O ARG A 54 8.392 49.580 60.981 1.00 41.40 O ATOM 844 CB ARG A 54 7.541 52.810 59.998 1.00 22.33 C ATOM 845 CG ARG A 54 8.299 53.851 59.190 1.00 4.13 C ATOM 846 CD ARG A 54 9.797 53.588 59.209 1.00 25.13 C ATOM 847 NE ARG A 54 10.570 54.823 59.114 1.00 72.24 N ATOM 848 CZ ARG A 54 11.838 54.868 58.722 1.00 53.31 C ATOM 849 NH1 ARG A 54 12.473 53.751 58.391 1.00 61.54 N ATOM 850 NH2 ARG A 54 12.475 56.031 58.662 1.00 24.53 N ATOM 0 H ARG A 54 6.146 51.766 58.239 1.00 34.31 H new ATOM 0 HA ARG A 54 8.794 51.270 59.173 1.00 55.21 H new ATOM 0 HB2 ARG A 54 6.476 53.037 59.958 1.00 22.33 H new ATOM 0 HB3 ARG A 54 7.843 52.882 61.043 1.00 22.33 H new ATOM 0 HG2 ARG A 54 7.941 53.846 58.161 1.00 4.13 H new ATOM 0 HG3 ARG A 54 8.098 54.844 59.593 1.00 4.13 H new ATOM 0 HD2 ARG A 54 10.062 53.064 60.128 1.00 25.13 H new ATOM 0 HD3 ARG A 54 10.060 52.931 58.380 1.00 25.13 H new ATOM 0 HE ARG A 54 10.111 55.699 59.362 1.00 72.24 H new ATOM 0 HH11 ARG A 54 11.987 52.855 58.437 1.00 61.54 H new ATOM 0 HH12 ARG A 54 13.447 53.788 58.090 1.00 61.54 H new ATOM 0 HH21 ARG A 54 11.991 56.892 58.917 1.00 24.53 H new ATOM 0 HH22 ARG A 54 13.449 56.064 58.361 1.00 24.53 H new ATOM 864 N LEU A 55 6.354 50.488 61.276 1.00 41.04 N ATOM 865 CA LEU A 55 6.004 49.612 62.388 1.00 11.42 C ATOM 866 C LEU A 55 5.576 48.237 61.885 1.00 1.34 C ATOM 867 O LEU A 55 5.550 47.268 62.644 1.00 42.14 O ATOM 868 CB LEU A 55 4.884 50.234 63.222 1.00 33.43 C ATOM 869 CG LEU A 55 3.485 50.192 62.604 1.00 70.21 C ATOM 870 CD1 LEU A 55 3.478 50.887 61.252 1.00 22.32 C ATOM 871 CD2 LEU A 55 3.004 48.754 62.470 1.00 70.44 C ATOM 0 H LEU A 55 5.628 51.159 61.023 1.00 41.04 H new ATOM 0 HA LEU A 55 6.888 49.491 63.013 1.00 11.42 H new ATOM 0 HB2 LEU A 55 4.850 49.725 64.185 1.00 33.43 H new ATOM 0 HB3 LEU A 55 5.141 51.275 63.421 1.00 33.43 H new ATOM 0 HG LEU A 55 2.800 50.723 63.265 1.00 70.21 H new ATOM 0 HD11 LEU A 55 2.475 50.847 60.828 1.00 22.32 H new ATOM 0 HD12 LEU A 55 3.778 51.927 61.376 1.00 22.32 H new ATOM 0 HD13 LEU A 55 4.176 50.385 60.581 1.00 22.32 H new ATOM 0 HD21 LEU A 55 2.007 48.743 62.029 1.00 70.44 H new ATOM 0 HD22 LEU A 55 3.690 48.199 61.830 1.00 70.44 H new ATOM 0 HD23 LEU A 55 2.970 48.289 63.455 1.00 70.44 H new ATOM 883 N GLN A 56 5.241 48.160 60.601 1.00 53.34 N ATOM 884 CA GLN A 56 4.815 46.904 59.997 1.00 33.41 C ATOM 885 C GLN A 56 5.825 45.796 60.274 1.00 45.45 C ATOM 886 O GLN A 56 5.451 44.653 60.530 1.00 3.14 O ATOM 887 CB GLN A 56 4.631 47.077 58.488 1.00 25.03 C ATOM 888 CG GLN A 56 4.705 45.771 57.713 1.00 25.25 C ATOM 889 CD GLN A 56 3.555 45.605 56.738 1.00 40.10 C ATOM 890 OE1 GLN A 56 2.388 45.734 57.108 1.00 40.52 O ATOM 891 NE2 GLN A 56 3.880 45.317 55.483 1.00 42.34 N ATOM 0 H GLN A 56 5.257 48.953 59.959 1.00 53.34 H new ATOM 0 HA GLN A 56 3.862 46.620 60.443 1.00 33.41 H new ATOM 0 HB2 GLN A 56 3.666 47.548 58.300 1.00 25.03 H new ATOM 0 HB3 GLN A 56 5.396 47.757 58.113 1.00 25.03 H new ATOM 0 HG2 GLN A 56 5.648 45.730 57.167 1.00 25.25 H new ATOM 0 HG3 GLN A 56 4.705 44.936 58.414 1.00 25.25 H new ATOM 0 HE21 GLN A 56 4.861 45.219 55.220 1.00 42.34 H new ATOM 0 HE22 GLN A 56 3.149 45.194 54.782 1.00 42.34 H new ATOM 900 N GLN A 57 7.107 46.144 60.221 1.00 64.13 N ATOM 901 CA GLN A 57 8.172 45.178 60.465 1.00 23.44 C ATOM 902 C GLN A 57 8.280 44.852 61.951 1.00 71.51 C ATOM 903 O GLN A 57 8.800 43.803 62.331 1.00 63.35 O ATOM 904 CB GLN A 57 9.507 45.717 59.950 1.00 33.12 C ATOM 905 CG GLN A 57 9.556 45.878 58.439 1.00 3.43 C ATOM 906 CD GLN A 57 10.573 44.961 57.788 1.00 61.31 C ATOM 907 OE1 GLN A 57 11.221 44.158 58.458 1.00 1.41 O ATOM 908 NE2 GLN A 57 10.718 45.078 56.473 1.00 42.03 N ATOM 0 H GLN A 57 7.433 47.087 60.011 1.00 64.13 H new ATOM 0 HA GLN A 57 7.928 44.262 59.927 1.00 23.44 H new ATOM 0 HB2 GLN A 57 9.704 46.682 60.416 1.00 33.12 H new ATOM 0 HB3 GLN A 57 10.306 45.044 60.261 1.00 33.12 H new ATOM 0 HG2 GLN A 57 8.569 45.674 58.023 1.00 3.43 H new ATOM 0 HG3 GLN A 57 9.797 46.913 58.195 1.00 3.43 H new ATOM 0 HE21 GLN A 57 10.159 45.758 55.957 1.00 42.03 H new ATOM 0 HE22 GLN A 57 11.388 44.488 55.979 1.00 42.03 H new ATOM 917 N SER A 58 7.785 45.758 62.788 1.00 72.13 N ATOM 918 CA SER A 58 7.830 45.569 64.233 1.00 61.02 C ATOM 919 C SER A 58 6.681 44.682 64.701 1.00 41.00 C ATOM 920 O SER A 58 6.899 43.600 65.248 1.00 14.33 O ATOM 921 CB SER A 58 7.769 46.920 64.947 1.00 52.25 C ATOM 922 OG SER A 58 7.971 46.770 66.342 1.00 43.23 O ATOM 0 H SER A 58 7.348 46.630 62.490 1.00 72.13 H new ATOM 0 HA SER A 58 8.770 45.077 64.481 1.00 61.02 H new ATOM 0 HB2 SER A 58 8.528 47.586 64.536 1.00 52.25 H new ATOM 0 HB3 SER A 58 6.801 47.388 64.765 1.00 52.25 H new ATOM 0 HG SER A 58 7.929 47.648 66.775 1.00 43.23 H new ATOM 928 N THR A 59 5.455 45.146 64.482 1.00 73.22 N ATOM 929 CA THR A 59 4.271 44.397 64.882 1.00 32.14 C ATOM 930 C THR A 59 4.419 42.917 64.550 1.00 45.34 C ATOM 931 O THR A 59 3.768 42.066 65.157 1.00 61.20 O ATOM 932 CB THR A 59 3.004 44.941 64.195 1.00 14.42 C ATOM 933 OG1 THR A 59 2.581 46.151 64.834 1.00 13.52 O ATOM 934 CG2 THR A 59 1.880 43.916 64.242 1.00 55.55 C ATOM 0 H THR A 59 5.256 46.038 64.029 1.00 73.22 H new ATOM 0 HA THR A 59 4.171 44.516 65.961 1.00 32.14 H new ATOM 0 HB THR A 59 3.243 45.147 63.152 1.00 14.42 H new ATOM 0 HG1 THR A 59 1.776 46.491 64.390 1.00 13.52 H new ATOM 0 HG21 THR A 59 0.996 44.323 63.751 1.00 55.55 H new ATOM 0 HG22 THR A 59 2.195 43.007 63.729 1.00 55.55 H new ATOM 0 HG23 THR A 59 1.643 43.683 65.280 1.00 55.55 H new ATOM 942 N ASP A 60 5.279 42.616 63.583 1.00 10.53 N ATOM 943 CA ASP A 60 5.515 41.236 63.173 1.00 23.52 C ATOM 944 C ASP A 60 5.833 40.356 64.377 1.00 20.05 C ATOM 945 O ASP A 60 5.355 39.227 64.476 1.00 44.44 O ATOM 946 CB ASP A 60 6.661 41.172 62.161 1.00 30.15 C ATOM 947 CG ASP A 60 6.228 40.579 60.834 1.00 62.22 C ATOM 948 OD1 ASP A 60 5.487 41.259 60.094 1.00 63.11 O ATOM 949 OD2 ASP A 60 6.631 39.434 60.536 1.00 63.41 O ATOM 0 H ASP A 60 5.824 43.308 63.069 1.00 10.53 H new ATOM 0 HA ASP A 60 4.605 40.862 62.705 1.00 23.52 H new ATOM 0 HB2 ASP A 60 7.053 42.176 61.997 1.00 30.15 H new ATOM 0 HB3 ASP A 60 7.474 40.575 62.574 1.00 30.15 H new ATOM 954 N ALA A 61 6.644 40.881 65.289 1.00 54.34 N ATOM 955 CA ALA A 61 7.025 40.144 66.488 1.00 71.55 C ATOM 956 C ALA A 61 5.847 40.007 67.445 1.00 23.04 C ATOM 957 O ALA A 61 5.658 38.960 68.067 1.00 52.42 O ATOM 958 CB ALA A 61 8.193 40.831 67.180 1.00 73.24 C ATOM 0 H ALA A 61 7.050 41.814 65.221 1.00 54.34 H new ATOM 0 HA ALA A 61 7.333 39.143 66.187 1.00 71.55 H new ATOM 0 HB1 ALA A 61 8.467 40.270 68.074 1.00 73.24 H new ATOM 0 HB2 ALA A 61 9.045 40.872 66.501 1.00 73.24 H new ATOM 0 HB3 ALA A 61 7.905 41.844 67.461 1.00 73.24 H new ATOM 964 N LEU A 62 5.057 41.067 67.560 1.00 33.32 N ATOM 965 CA LEU A 62 3.896 41.064 68.443 1.00 35.32 C ATOM 966 C LEU A 62 2.801 40.150 67.902 1.00 42.05 C ATOM 967 O LEU A 62 2.047 39.548 68.666 1.00 1.41 O ATOM 968 CB LEU A 62 3.352 42.485 68.609 1.00 51.34 C ATOM 969 CG LEU A 62 2.526 42.745 69.870 1.00 72.22 C ATOM 970 CD1 LEU A 62 2.648 44.199 70.298 1.00 43.24 C ATOM 971 CD2 LEU A 62 1.068 42.376 69.637 1.00 52.32 C ATOM 0 H LEU A 62 5.199 41.941 67.053 1.00 33.32 H new ATOM 0 HA LEU A 62 4.213 40.686 69.415 1.00 35.32 H new ATOM 0 HB2 LEU A 62 4.193 43.178 68.601 1.00 51.34 H new ATOM 0 HB3 LEU A 62 2.737 42.721 67.741 1.00 51.34 H new ATOM 0 HG LEU A 62 2.915 42.118 70.672 1.00 72.22 H new ATOM 0 HD11 LEU A 62 2.054 44.365 71.197 1.00 43.24 H new ATOM 0 HD12 LEU A 62 3.693 44.431 70.506 1.00 43.24 H new ATOM 0 HD13 LEU A 62 2.285 44.845 69.499 1.00 43.24 H new ATOM 0 HD21 LEU A 62 0.495 42.567 70.544 1.00 52.32 H new ATOM 0 HD22 LEU A 62 0.667 42.977 68.821 1.00 52.32 H new ATOM 0 HD23 LEU A 62 0.997 41.319 69.379 1.00 52.32 H new ATOM 983 N TYR A 63 2.722 40.050 66.580 1.00 4.44 N ATOM 984 CA TYR A 63 1.721 39.208 65.935 1.00 54.22 C ATOM 985 C TYR A 63 2.060 37.731 66.104 1.00 24.41 C ATOM 986 O TYR A 63 1.219 36.932 66.513 1.00 11.21 O ATOM 987 CB TYR A 63 1.615 39.552 64.449 1.00 70.15 C ATOM 988 CG TYR A 63 1.514 38.339 63.552 1.00 54.44 C ATOM 989 CD1 TYR A 63 2.655 37.664 63.133 1.00 33.52 C ATOM 990 CD2 TYR A 63 0.279 37.869 63.123 1.00 42.50 C ATOM 991 CE1 TYR A 63 2.567 36.556 62.313 1.00 53.31 C ATOM 992 CE2 TYR A 63 0.182 36.760 62.304 1.00 63.24 C ATOM 993 CZ TYR A 63 1.329 36.108 61.902 1.00 62.00 C ATOM 994 OH TYR A 63 1.237 35.004 61.085 1.00 11.32 O ATOM 0 H TYR A 63 3.339 40.542 65.934 1.00 4.44 H new ATOM 0 HA TYR A 63 0.761 39.398 66.414 1.00 54.22 H new ATOM 0 HB2 TYR A 63 0.740 40.183 64.292 1.00 70.15 H new ATOM 0 HB3 TYR A 63 2.487 40.138 64.157 1.00 70.15 H new ATOM 0 HD1 TYR A 63 3.626 38.012 63.454 1.00 33.52 H new ATOM 0 HD2 TYR A 63 -0.621 38.379 63.435 1.00 42.50 H new ATOM 0 HE1 TYR A 63 3.463 36.043 61.995 1.00 53.31 H new ATOM 0 HE2 TYR A 63 -0.786 36.406 61.981 1.00 63.24 H new ATOM 0 HH TYR A 63 0.295 34.820 60.889 1.00 11.32 H new ATOM 1004 N SER A 64 3.301 37.376 65.785 1.00 42.31 N ATOM 1005 CA SER A 64 3.752 35.993 65.898 1.00 62.25 C ATOM 1006 C SER A 64 3.874 35.579 67.361 1.00 31.43 C ATOM 1007 O SER A 64 3.565 34.443 67.723 1.00 14.43 O ATOM 1008 CB SER A 64 5.099 35.816 65.193 1.00 73.21 C ATOM 1009 OG SER A 64 4.963 35.025 64.025 1.00 50.23 O ATOM 0 H SER A 64 4.011 38.026 65.447 1.00 42.31 H new ATOM 0 HA SER A 64 3.010 35.354 65.418 1.00 62.25 H new ATOM 0 HB2 SER A 64 5.506 36.792 64.930 1.00 73.21 H new ATOM 0 HB3 SER A 64 5.810 35.347 65.873 1.00 73.21 H new ATOM 0 HG SER A 64 4.232 35.377 63.475 1.00 50.23 H new ATOM 1015 N HIS A 65 4.324 36.508 68.197 1.00 0.24 N ATOM 1016 CA HIS A 65 4.485 36.240 69.622 1.00 52.13 C ATOM 1017 C HIS A 65 3.160 35.817 70.248 1.00 12.41 C ATOM 1018 O HIS A 65 3.106 34.865 71.027 1.00 10.54 O ATOM 1019 CB HIS A 65 5.029 37.478 70.337 1.00 34.24 C ATOM 1020 CG HIS A 65 5.033 37.354 71.829 1.00 4.42 C ATOM 1021 ND1 HIS A 65 3.883 37.366 72.589 1.00 70.04 N ATOM 1022 CD2 HIS A 65 6.058 37.213 72.703 1.00 24.33 C ATOM 1023 CE1 HIS A 65 4.200 37.240 73.866 1.00 24.42 C ATOM 1024 NE2 HIS A 65 5.514 37.144 73.961 1.00 53.21 N ATOM 0 H HIS A 65 4.584 37.453 67.913 1.00 0.24 H new ATOM 0 HA HIS A 65 5.197 35.423 69.735 1.00 52.13 H new ATOM 0 HB2 HIS A 65 6.046 37.668 69.994 1.00 34.24 H new ATOM 0 HB3 HIS A 65 4.430 38.344 70.054 1.00 34.24 H new ATOM 0 HD1 HIS A 65 2.935 37.458 72.223 1.00 70.04 H new ATOM 0 HD2 HIS A 65 7.108 37.164 72.456 1.00 24.33 H new ATOM 0 HE1 HIS A 65 3.503 37.219 74.691 1.00 24.42 H new ATOM 1032 N LEU A 66 2.094 36.531 69.905 1.00 71.52 N ATOM 1033 CA LEU A 66 0.768 36.230 70.434 1.00 41.02 C ATOM 1034 C LEU A 66 0.203 34.964 69.799 1.00 13.52 C ATOM 1035 O LEU A 66 -0.155 34.015 70.497 1.00 73.31 O ATOM 1036 CB LEU A 66 -0.180 37.405 70.187 1.00 21.23 C ATOM 1037 CG LEU A 66 -1.474 37.406 71.001 1.00 11.22 C ATOM 1038 CD1 LEU A 66 -1.281 38.156 72.310 1.00 41.14 C ATOM 1039 CD2 LEU A 66 -2.611 38.019 70.196 1.00 4.01 C ATOM 0 H LEU A 66 2.122 37.323 69.263 1.00 71.52 H new ATOM 0 HA LEU A 66 0.861 36.065 71.508 1.00 41.02 H new ATOM 0 HB2 LEU A 66 0.358 38.330 70.396 1.00 21.23 H new ATOM 0 HB3 LEU A 66 -0.440 37.420 69.129 1.00 21.23 H new ATOM 0 HG LEU A 66 -1.735 36.373 71.233 1.00 11.22 H new ATOM 0 HD11 LEU A 66 -2.213 38.146 72.876 1.00 41.14 H new ATOM 0 HD12 LEU A 66 -0.497 37.674 72.894 1.00 41.14 H new ATOM 0 HD13 LEU A 66 -0.995 39.187 72.100 1.00 41.14 H new ATOM 0 HD21 LEU A 66 -3.524 38.011 70.792 1.00 4.01 H new ATOM 0 HD22 LEU A 66 -2.358 39.046 69.933 1.00 4.01 H new ATOM 0 HD23 LEU A 66 -2.766 37.439 69.286 1.00 4.01 H new ATOM 1051 N GLU A 67 0.128 34.955 68.472 1.00 52.24 N ATOM 1052 CA GLU A 67 -0.391 33.804 67.744 1.00 33.40 C ATOM 1053 C GLU A 67 0.404 32.545 68.076 1.00 55.40 C ATOM 1054 O GLU A 67 -0.136 31.439 68.078 1.00 51.22 O ATOM 1055 CB GLU A 67 -0.348 34.064 66.237 1.00 15.14 C ATOM 1056 CG GLU A 67 -1.319 33.204 65.444 1.00 62.45 C ATOM 1057 CD GLU A 67 -0.647 32.003 64.808 1.00 21.24 C ATOM 1058 OE1 GLU A 67 0.096 31.294 65.519 1.00 24.13 O ATOM 1059 OE2 GLU A 67 -0.864 31.771 63.601 1.00 22.03 O ATOM 0 H GLU A 67 0.420 35.732 67.879 1.00 52.24 H new ATOM 0 HA GLU A 67 -1.426 33.650 68.050 1.00 33.40 H new ATOM 0 HB2 GLU A 67 -0.571 35.115 66.051 1.00 15.14 H new ATOM 0 HB3 GLU A 67 0.664 33.884 65.874 1.00 15.14 H new ATOM 0 HG2 GLU A 67 -2.118 32.863 66.102 1.00 62.45 H new ATOM 0 HG3 GLU A 67 -1.784 33.810 64.666 1.00 62.45 H new ATOM 1066 N ALA A 68 1.690 32.722 68.358 1.00 54.33 N ATOM 1067 CA ALA A 68 2.560 31.603 68.694 1.00 2.54 C ATOM 1068 C ALA A 68 2.439 31.237 70.170 1.00 4.45 C ATOM 1069 O ALA A 68 2.129 30.095 70.512 1.00 5.00 O ATOM 1070 CB ALA A 68 4.004 31.933 68.347 1.00 51.22 C ATOM 0 H ALA A 68 2.153 33.631 68.360 1.00 54.33 H new ATOM 0 HA ALA A 68 2.245 30.741 68.106 1.00 2.54 H new ATOM 0 HB1 ALA A 68 4.642 31.088 68.604 1.00 51.22 H new ATOM 0 HB2 ALA A 68 4.084 32.137 67.279 1.00 51.22 H new ATOM 0 HB3 ALA A 68 4.322 32.811 68.909 1.00 51.22 H new ATOM 1076 N GLN A 69 2.686 32.211 71.039 1.00 45.31 N ATOM 1077 CA GLN A 69 2.606 31.989 72.478 1.00 3.21 C ATOM 1078 C GLN A 69 1.163 31.758 72.914 1.00 21.40 C ATOM 1079 O GLN A 69 0.850 30.755 73.554 1.00 23.12 O ATOM 1080 CB GLN A 69 3.194 33.181 73.233 1.00 72.35 C ATOM 1081 CG GLN A 69 3.406 32.920 74.715 1.00 20.03 C ATOM 1082 CD GLN A 69 4.859 33.039 75.127 1.00 50.34 C ATOM 1083 OE1 GLN A 69 5.764 32.723 74.353 1.00 72.24 O ATOM 1084 NE2 GLN A 69 5.092 33.495 76.352 1.00 53.22 N ATOM 0 H GLN A 69 2.943 33.161 70.772 1.00 45.31 H new ATOM 0 HA GLN A 69 3.185 31.097 72.715 1.00 3.21 H new ATOM 0 HB2 GLN A 69 4.148 33.452 72.781 1.00 72.35 H new ATOM 0 HB3 GLN A 69 2.531 34.038 73.115 1.00 72.35 H new ATOM 0 HG2 GLN A 69 2.810 33.626 75.293 1.00 20.03 H new ATOM 0 HG3 GLN A 69 3.044 31.921 74.959 1.00 20.03 H new ATOM 0 HE21 GLN A 69 4.312 33.745 76.960 1.00 53.22 H new ATOM 0 HE22 GLN A 69 6.051 33.595 76.685 1.00 53.22 H new ATOM 1093 N TRP A 70 0.288 32.695 72.562 1.00 2.30 N ATOM 1094 CA TRP A 70 -1.123 32.593 72.918 1.00 14.22 C ATOM 1095 C TRP A 70 -1.746 31.336 72.322 1.00 3.13 C ATOM 1096 O TRP A 70 -2.737 30.818 72.837 1.00 52.45 O ATOM 1097 CB TRP A 70 -1.882 33.830 72.435 1.00 73.20 C ATOM 1098 CG TRP A 70 -3.033 34.203 73.320 1.00 31.53 C ATOM 1099 CD1 TRP A 70 -3.057 35.195 74.258 1.00 13.04 C ATOM 1100 CD2 TRP A 70 -4.326 33.589 73.349 1.00 62.32 C ATOM 1101 NE1 TRP A 70 -4.288 35.234 74.869 1.00 0.11 N ATOM 1102 CE2 TRP A 70 -5.084 34.259 74.329 1.00 64.44 C ATOM 1103 CE3 TRP A 70 -4.917 32.539 72.642 1.00 25.33 C ATOM 1104 CZ2 TRP A 70 -6.400 33.912 74.617 1.00 31.15 C ATOM 1105 CZ3 TRP A 70 -6.224 32.195 72.930 1.00 42.21 C ATOM 1106 CH2 TRP A 70 -6.955 32.880 73.910 1.00 44.33 C ATOM 0 H TRP A 70 0.531 33.532 72.032 1.00 2.30 H new ATOM 0 HA TRP A 70 -1.194 32.531 74.004 1.00 14.22 H new ATOM 0 HB2 TRP A 70 -1.191 34.671 72.375 1.00 73.20 H new ATOM 0 HB3 TRP A 70 -2.252 33.649 71.426 1.00 73.20 H new ATOM 0 HD1 TRP A 70 -2.231 35.852 74.486 1.00 13.04 H new ATOM 0 HE1 TRP A 70 -4.564 35.884 75.605 1.00 0.11 H new ATOM 0 HE3 TRP A 70 -4.362 32.006 71.884 1.00 25.33 H new ATOM 0 HZ2 TRP A 70 -6.964 34.439 75.372 1.00 31.15 H new ATOM 0 HZ3 TRP A 70 -6.690 31.384 72.390 1.00 42.21 H new ATOM 0 HH2 TRP A 70 -7.975 32.588 74.111 1.00 44.33 H new ATOM 1117 N ALA A 71 -1.158 30.848 71.234 1.00 43.01 N ATOM 1118 CA ALA A 71 -1.655 29.649 70.571 1.00 4.03 C ATOM 1119 C ALA A 71 -1.808 28.497 71.559 1.00 34.53 C ATOM 1120 O ALA A 71 -2.759 27.719 71.478 1.00 15.33 O ATOM 1121 CB ALA A 71 -0.724 29.250 69.434 1.00 71.12 C ATOM 0 H ALA A 71 -0.338 31.265 70.794 1.00 43.01 H new ATOM 0 HA ALA A 71 -2.639 29.874 70.160 1.00 4.03 H new ATOM 0 HB1 ALA A 71 -1.107 28.353 68.948 1.00 71.12 H new ATOM 0 HB2 ALA A 71 -0.668 30.061 68.708 1.00 71.12 H new ATOM 0 HB3 ALA A 71 0.271 29.050 69.832 1.00 71.12 H new ATOM 1127 N LYS A 72 -0.867 28.394 72.490 1.00 13.00 N ATOM 1128 CA LYS A 72 -0.898 27.338 73.495 1.00 53.41 C ATOM 1129 C LYS A 72 -2.271 27.254 74.155 1.00 70.14 C ATOM 1130 O LYS A 72 -2.667 26.199 74.651 1.00 74.14 O ATOM 1131 CB LYS A 72 0.175 27.587 74.559 1.00 22.05 C ATOM 1132 CG LYS A 72 1.310 26.578 74.524 1.00 1.24 C ATOM 1133 CD LYS A 72 2.137 26.713 73.257 1.00 22.20 C ATOM 1134 CE LYS A 72 3.027 27.947 73.300 1.00 3.40 C ATOM 1135 NZ LYS A 72 4.408 27.618 73.748 1.00 53.24 N ATOM 0 H LYS A 72 -0.073 29.029 72.570 1.00 13.00 H new ATOM 0 HA LYS A 72 -0.695 26.390 72.996 1.00 53.41 H new ATOM 0 HB2 LYS A 72 0.585 28.588 74.423 1.00 22.05 H new ATOM 0 HB3 LYS A 72 -0.290 27.565 75.545 1.00 22.05 H new ATOM 0 HG2 LYS A 72 1.951 26.719 75.394 1.00 1.24 H new ATOM 0 HG3 LYS A 72 0.903 25.569 74.588 1.00 1.24 H new ATOM 0 HD2 LYS A 72 2.753 25.823 73.127 1.00 22.20 H new ATOM 0 HD3 LYS A 72 1.474 26.771 72.393 1.00 22.20 H new ATOM 0 HE2 LYS A 72 3.065 28.402 72.310 1.00 3.40 H new ATOM 0 HE3 LYS A 72 2.592 28.685 73.974 1.00 3.40 H new ATOM 0 HZ1 LYS A 72 4.983 28.484 73.764 1.00 53.24 H new ATOM 0 HZ2 LYS A 72 4.375 27.207 74.703 1.00 53.24 H new ATOM 0 HZ3 LYS A 72 4.832 26.933 73.091 1.00 53.24 H new ATOM 1149 N GLN A 73 -2.993 28.370 74.153 1.00 52.42 N ATOM 1150 CA GLN A 73 -4.322 28.420 74.750 1.00 54.54 C ATOM 1151 C GLN A 73 -5.256 27.416 74.085 1.00 25.12 C ATOM 1152 O GLN A 73 -5.811 26.536 74.745 1.00 45.24 O ATOM 1153 CB GLN A 73 -4.904 29.830 74.634 1.00 63.45 C ATOM 1154 CG GLN A 73 -4.217 30.848 75.530 1.00 70.12 C ATOM 1155 CD GLN A 73 -4.075 30.365 76.960 1.00 3.42 C ATOM 1156 OE1 GLN A 73 -4.982 29.736 77.508 1.00 63.41 O ATOM 1157 NE2 GLN A 73 -2.934 30.655 77.573 1.00 73.40 N ATOM 0 H GLN A 73 -2.680 29.251 73.745 1.00 52.42 H new ATOM 0 HA GLN A 73 -4.229 28.159 75.804 1.00 54.54 H new ATOM 0 HB2 GLN A 73 -4.829 30.161 73.598 1.00 63.45 H new ATOM 0 HB3 GLN A 73 -5.965 29.798 74.882 1.00 63.45 H new ATOM 0 HG2 GLN A 73 -3.230 31.073 75.127 1.00 70.12 H new ATOM 0 HG3 GLN A 73 -4.786 31.778 75.519 1.00 70.12 H new ATOM 0 HE21 GLN A 73 -2.210 31.178 77.081 1.00 73.40 H new ATOM 0 HE22 GLN A 73 -2.782 30.355 78.536 1.00 73.40 H new ATOM 1166 N HIS A 74 -5.427 27.552 72.773 1.00 1.41 N ATOM 1167 CA HIS A 74 -6.295 26.655 72.018 1.00 61.32 C ATOM 1168 C HIS A 74 -5.620 26.209 70.724 1.00 11.24 C ATOM 1169 O HIS A 74 -5.532 25.015 70.439 1.00 21.32 O ATOM 1170 CB HIS A 74 -7.624 27.343 71.703 1.00 64.11 C ATOM 1171 CG HIS A 74 -8.725 26.981 72.652 1.00 22.41 C ATOM 1172 ND1 HIS A 74 -9.781 26.166 72.303 1.00 1.31 N ATOM 1173 CD2 HIS A 74 -8.929 27.328 73.944 1.00 34.51 C ATOM 1174 CE1 HIS A 74 -10.588 26.028 73.340 1.00 63.11 C ATOM 1175 NE2 HIS A 74 -10.094 26.723 74.348 1.00 72.43 N ATOM 0 H HIS A 74 -4.976 28.274 72.211 1.00 1.41 H new ATOM 0 HA HIS A 74 -6.487 25.774 72.630 1.00 61.32 H new ATOM 0 HB2 HIS A 74 -7.478 28.423 71.723 1.00 64.11 H new ATOM 0 HB3 HIS A 74 -7.928 27.081 70.690 1.00 64.11 H new ATOM 0 HD2 HIS A 74 -8.294 27.962 74.545 1.00 34.51 H new ATOM 0 HE1 HIS A 74 -11.497 25.446 73.360 1.00 63.11 H new ATOM 0 HE2 HIS A 74 -10.510 26.798 75.276 1.00 72.43 H new ATOM 1183 N GLY A 75 -5.146 27.176 69.944 1.00 14.34 N ATOM 1184 CA GLY A 75 -4.487 26.862 68.690 1.00 54.43 C ATOM 1185 C GLY A 75 -5.392 27.066 67.493 1.00 31.11 C ATOM 1186 O GLY A 75 -4.920 27.203 66.364 1.00 24.54 O ATOM 0 H GLY A 75 -5.207 28.171 70.158 1.00 14.34 H new ATOM 0 HA2 GLY A 75 -3.601 27.487 68.582 1.00 54.43 H new ATOM 0 HA3 GLY A 75 -4.146 25.827 68.712 1.00 54.43 H new ATOM 1190 N THR A 76 -6.699 27.084 67.736 1.00 13.11 N ATOM 1191 CA THR A 76 -7.673 27.270 66.669 1.00 32.42 C ATOM 1192 C THR A 76 -7.929 28.751 66.408 1.00 2.32 C ATOM 1193 O THR A 76 -7.816 29.236 65.282 1.00 5.51 O ATOM 1194 CB THR A 76 -9.011 26.582 67.002 1.00 50.12 C ATOM 1195 OG1 THR A 76 -10.052 27.559 67.107 1.00 23.02 O ATOM 1196 CG2 THR A 76 -8.908 25.801 68.305 1.00 72.32 C ATOM 0 H THR A 76 -7.107 26.972 68.664 1.00 13.11 H new ATOM 0 HA THR A 76 -7.250 26.813 65.774 1.00 32.42 H new ATOM 0 HB THR A 76 -9.247 25.886 66.197 1.00 50.12 H new ATOM 0 HG1 THR A 76 -10.899 27.113 67.317 1.00 23.02 H new ATOM 0 HG21 THR A 76 -9.864 25.324 68.520 1.00 72.32 H new ATOM 0 HG22 THR A 76 -8.135 25.038 68.212 1.00 72.32 H new ATOM 0 HG23 THR A 76 -8.651 26.481 69.117 1.00 72.32 H new ATOM 1204 N PRO A 77 -8.280 29.487 67.472 1.00 73.30 N ATOM 1205 CA PRO A 77 -8.557 30.925 67.383 1.00 3.14 C ATOM 1206 C PRO A 77 -7.299 31.741 67.110 1.00 1.11 C ATOM 1207 O PRO A 77 -7.348 32.826 66.530 1.00 11.30 O ATOM 1208 CB PRO A 77 -9.125 31.262 68.764 1.00 20.21 C ATOM 1209 CG PRO A 77 -8.558 30.225 69.671 1.00 63.43 C ATOM 1210 CD PRO A 77 -8.434 28.975 68.844 1.00 2.24 C ATOM 0 HA PRO A 77 -9.232 31.161 66.560 1.00 3.14 H new ATOM 0 HB2 PRO A 77 -8.834 32.264 69.078 1.00 20.21 H new ATOM 0 HB3 PRO A 77 -10.215 31.233 68.762 1.00 20.21 H new ATOM 0 HG2 PRO A 77 -7.587 30.534 70.059 1.00 63.43 H new ATOM 0 HG3 PRO A 77 -9.207 30.061 70.531 1.00 63.43 H new ATOM 0 HD2 PRO A 77 -7.576 28.376 69.148 1.00 2.24 H new ATOM 0 HD3 PRO A 77 -9.315 28.341 68.940 1.00 2.24 H new ATOM 1218 N PRO A 78 -6.144 31.210 67.536 1.00 40.03 N ATOM 1219 CA PRO A 78 -4.850 31.874 67.348 1.00 64.11 C ATOM 1220 C PRO A 78 -4.416 31.892 65.886 1.00 64.43 C ATOM 1221 O PRO A 78 -3.825 30.931 65.390 1.00 34.13 O ATOM 1222 CB PRO A 78 -3.889 31.021 68.180 1.00 13.23 C ATOM 1223 CG PRO A 78 -4.527 29.676 68.235 1.00 43.21 C ATOM 1224 CD PRO A 78 -6.011 29.920 68.234 1.00 52.13 C ATOM 0 HA PRO A 78 -4.881 32.921 67.649 1.00 64.11 H new ATOM 0 HB2 PRO A 78 -2.902 30.973 67.719 1.00 13.23 H new ATOM 0 HB3 PRO A 78 -3.754 31.436 69.179 1.00 13.23 H new ATOM 0 HG2 PRO A 78 -4.231 29.069 67.380 1.00 43.21 H new ATOM 0 HG3 PRO A 78 -4.221 29.136 69.131 1.00 43.21 H new ATOM 0 HD2 PRO A 78 -6.549 29.126 67.716 1.00 52.13 H new ATOM 0 HD3 PRO A 78 -6.411 29.968 69.247 1.00 52.13 H new ATOM 1232 N THR A 79 -4.711 32.991 65.199 1.00 12.22 N ATOM 1233 CA THR A 79 -4.352 33.135 63.794 1.00 4.53 C ATOM 1234 C THR A 79 -4.348 34.599 63.374 1.00 34.01 C ATOM 1235 O THR A 79 -4.911 35.452 64.059 1.00 74.04 O ATOM 1236 CB THR A 79 -5.320 32.353 62.884 1.00 74.24 C ATOM 1237 OG1 THR A 79 -5.768 31.167 63.549 1.00 53.22 O ATOM 1238 CG2 THR A 79 -4.647 31.983 61.572 1.00 24.24 C ATOM 0 H THR A 79 -5.198 33.795 65.594 1.00 12.22 H new ATOM 0 HA THR A 79 -3.348 32.726 63.681 1.00 4.53 H new ATOM 0 HB THR A 79 -6.177 32.991 62.667 1.00 74.24 H new ATOM 0 HG1 THR A 79 -6.383 30.677 62.965 1.00 53.22 H new ATOM 0 HG21 THR A 79 -5.349 31.432 60.946 1.00 24.24 H new ATOM 0 HG22 THR A 79 -4.334 32.890 61.055 1.00 24.24 H new ATOM 0 HG23 THR A 79 -3.775 31.361 61.773 1.00 24.24 H new ATOM 1246 N ALA A 80 -3.711 34.884 62.242 1.00 52.32 N ATOM 1247 CA ALA A 80 -3.637 36.247 61.730 1.00 42.13 C ATOM 1248 C ALA A 80 -5.006 36.918 61.756 1.00 74.35 C ATOM 1249 O ALA A 80 -5.105 38.144 61.812 1.00 14.04 O ATOM 1250 CB ALA A 80 -3.072 36.250 60.317 1.00 44.31 C ATOM 0 H ALA A 80 -3.239 34.189 61.663 1.00 52.32 H new ATOM 0 HA ALA A 80 -2.970 36.816 62.377 1.00 42.13 H new ATOM 0 HB1 ALA A 80 -3.022 37.274 59.947 1.00 44.31 H new ATOM 0 HB2 ALA A 80 -2.071 35.818 60.324 1.00 44.31 H new ATOM 0 HB3 ALA A 80 -3.717 35.660 59.666 1.00 44.31 H new ATOM 1256 N SER A 81 -6.058 36.108 61.713 1.00 31.13 N ATOM 1257 CA SER A 81 -7.422 36.625 61.727 1.00 4.31 C ATOM 1258 C SER A 81 -7.777 37.186 63.100 1.00 55.21 C ATOM 1259 O SER A 81 -8.359 38.265 63.211 1.00 72.14 O ATOM 1260 CB SER A 81 -8.411 35.522 61.343 1.00 72.40 C ATOM 1261 OG SER A 81 -9.575 36.067 60.746 1.00 1.41 O ATOM 0 H SER A 81 -5.993 35.091 61.668 1.00 31.13 H new ATOM 0 HA SER A 81 -7.486 37.432 60.997 1.00 4.31 H new ATOM 0 HB2 SER A 81 -7.935 34.827 60.651 1.00 72.40 H new ATOM 0 HB3 SER A 81 -8.686 34.951 62.230 1.00 72.40 H new ATOM 0 HG SER A 81 -10.190 35.342 60.508 1.00 1.41 H new ATOM 1267 N ASP A 82 -7.422 36.445 64.144 1.00 52.15 N ATOM 1268 CA ASP A 82 -7.701 36.869 65.512 1.00 11.51 C ATOM 1269 C ASP A 82 -6.613 37.808 66.023 1.00 41.22 C ATOM 1270 O ASP A 82 -6.902 38.893 66.527 1.00 51.04 O ATOM 1271 CB ASP A 82 -7.814 35.651 66.432 1.00 72.00 C ATOM 1272 CG ASP A 82 -8.961 34.738 66.045 1.00 73.14 C ATOM 1273 OD1 ASP A 82 -9.301 34.690 64.845 1.00 1.31 O ATOM 1274 OD2 ASP A 82 -9.520 34.075 66.943 1.00 12.22 O ATOM 0 H ASP A 82 -6.941 35.549 64.070 1.00 52.15 H new ATOM 0 HA ASP A 82 -8.649 37.406 65.514 1.00 11.51 H new ATOM 0 HB2 ASP A 82 -6.880 35.089 66.403 1.00 72.00 H new ATOM 0 HB3 ASP A 82 -7.952 35.987 67.460 1.00 72.00 H new ATOM 1279 N VAL A 83 -5.360 37.383 65.890 1.00 10.11 N ATOM 1280 CA VAL A 83 -4.229 38.185 66.339 1.00 71.31 C ATOM 1281 C VAL A 83 -4.362 39.631 65.872 1.00 53.13 C ATOM 1282 O VAL A 83 -3.803 40.544 66.479 1.00 71.11 O ATOM 1283 CB VAL A 83 -2.895 37.612 65.823 1.00 61.14 C ATOM 1284 CG1 VAL A 83 -1.724 38.425 66.355 1.00 11.44 C ATOM 1285 CG2 VAL A 83 -2.760 36.148 66.212 1.00 62.34 C ATOM 0 H VAL A 83 -5.103 36.487 65.475 1.00 10.11 H new ATOM 0 HA VAL A 83 -4.232 38.155 67.429 1.00 71.31 H new ATOM 0 HB VAL A 83 -2.886 37.677 64.735 1.00 61.14 H new ATOM 0 HG11 VAL A 83 -0.790 38.006 65.980 1.00 11.44 H new ATOM 0 HG12 VAL A 83 -1.817 39.459 66.022 1.00 11.44 H new ATOM 0 HG13 VAL A 83 -1.724 38.394 67.445 1.00 11.44 H new ATOM 0 HG21 VAL A 83 -1.812 35.759 65.840 1.00 62.34 H new ATOM 0 HG22 VAL A 83 -2.789 36.056 67.298 1.00 62.34 H new ATOM 0 HG23 VAL A 83 -3.582 35.579 65.778 1.00 62.34 H new ATOM 1295 N VAL A 84 -5.107 39.832 64.790 1.00 13.31 N ATOM 1296 CA VAL A 84 -5.317 41.167 64.243 1.00 41.45 C ATOM 1297 C VAL A 84 -5.853 42.119 65.306 1.00 41.10 C ATOM 1298 O VAL A 84 -5.520 43.304 65.318 1.00 1.15 O ATOM 1299 CB VAL A 84 -6.295 41.140 63.054 1.00 42.31 C ATOM 1300 CG1 VAL A 84 -7.705 40.823 63.529 1.00 71.14 C ATOM 1301 CG2 VAL A 84 -6.260 42.463 62.304 1.00 14.43 C ATOM 0 H VAL A 84 -5.575 39.087 64.275 1.00 13.31 H new ATOM 0 HA VAL A 84 -4.346 41.523 63.897 1.00 41.45 H new ATOM 0 HB VAL A 84 -5.983 40.352 62.368 1.00 42.31 H new ATOM 0 HG11 VAL A 84 -8.382 40.808 62.675 1.00 71.14 H new ATOM 0 HG12 VAL A 84 -7.714 39.848 64.016 1.00 71.14 H new ATOM 0 HG13 VAL A 84 -8.030 41.585 64.237 1.00 71.14 H new ATOM 0 HG21 VAL A 84 -6.957 42.425 61.467 1.00 14.43 H new ATOM 0 HG22 VAL A 84 -6.545 43.271 62.978 1.00 14.43 H new ATOM 0 HG23 VAL A 84 -5.252 42.642 61.929 1.00 14.43 H new ATOM 1311 N GLY A 85 -6.685 41.593 66.199 1.00 2.44 N ATOM 1312 CA GLY A 85 -7.255 42.409 67.254 1.00 53.45 C ATOM 1313 C GLY A 85 -7.250 41.706 68.598 1.00 74.45 C ATOM 1314 O GLY A 85 -7.699 42.264 69.599 1.00 1.05 O ATOM 0 H GLY A 85 -6.975 40.615 66.210 1.00 2.44 H new ATOM 0 HA2 GLY A 85 -6.694 43.340 67.332 1.00 53.45 H new ATOM 0 HA3 GLY A 85 -8.279 42.675 66.990 1.00 53.45 H new ATOM 1318 N MET A 86 -6.743 40.478 68.619 1.00 11.53 N ATOM 1319 CA MET A 86 -6.682 39.698 69.851 1.00 20.45 C ATOM 1320 C MET A 86 -5.795 40.382 70.884 1.00 12.22 C ATOM 1321 O MET A 86 -6.167 40.545 72.047 1.00 44.43 O ATOM 1322 CB MET A 86 -6.159 38.291 69.562 1.00 3.41 C ATOM 1323 CG MET A 86 -6.610 37.253 70.578 1.00 61.34 C ATOM 1324 SD MET A 86 -6.984 35.659 69.824 1.00 31.43 S ATOM 1325 CE MET A 86 -5.468 34.764 70.152 1.00 33.43 C ATOM 0 H MET A 86 -6.369 40.001 67.799 1.00 11.53 H new ATOM 0 HA MET A 86 -7.691 39.626 70.257 1.00 20.45 H new ATOM 0 HB2 MET A 86 -6.492 37.985 68.570 1.00 3.41 H new ATOM 0 HB3 MET A 86 -5.070 38.315 69.539 1.00 3.41 H new ATOM 0 HG2 MET A 86 -5.830 37.122 71.328 1.00 61.34 H new ATOM 0 HG3 MET A 86 -7.494 37.620 71.099 1.00 61.34 H new ATOM 0 HE1 MET A 86 -5.670 33.693 70.148 1.00 33.43 H new ATOM 0 HE2 MET A 86 -4.734 34.998 69.381 1.00 33.43 H new ATOM 0 HE3 MET A 86 -5.077 35.056 71.126 1.00 33.43 H new ATOM 1335 N PRO A 87 -4.593 40.794 70.455 1.00 1.30 N ATOM 1336 CA PRO A 87 -3.627 41.468 71.329 1.00 25.13 C ATOM 1337 C PRO A 87 -4.078 42.871 71.717 1.00 42.21 C ATOM 1338 O PRO A 87 -5.130 43.337 71.281 1.00 33.11 O ATOM 1339 CB PRO A 87 -2.359 41.529 70.474 1.00 32.10 C ATOM 1340 CG PRO A 87 -2.848 41.489 69.067 1.00 53.35 C ATOM 1341 CD PRO A 87 -4.084 40.633 69.082 1.00 50.13 C ATOM 0 HA PRO A 87 -3.495 40.942 72.274 1.00 25.13 H new ATOM 0 HB2 PRO A 87 -1.793 42.439 70.670 1.00 32.10 H new ATOM 0 HB3 PRO A 87 -1.697 40.690 70.687 1.00 32.10 H new ATOM 0 HG2 PRO A 87 -3.072 42.492 68.703 1.00 53.35 H new ATOM 0 HG3 PRO A 87 -2.092 41.071 68.403 1.00 53.35 H new ATOM 0 HD2 PRO A 87 -4.812 40.965 68.342 1.00 50.13 H new ATOM 0 HD3 PRO A 87 -3.854 39.591 68.858 1.00 50.13 H new ATOM 1349 N GLN A 88 -3.274 43.540 72.537 1.00 74.21 N ATOM 1350 CA GLN A 88 -3.592 44.891 72.984 1.00 73.51 C ATOM 1351 C GLN A 88 -3.166 45.923 71.943 1.00 3.24 C ATOM 1352 O GLN A 88 -3.805 46.963 71.789 1.00 31.13 O ATOM 1353 CB GLN A 88 -2.907 45.184 74.319 1.00 42.13 C ATOM 1354 CG GLN A 88 -1.389 45.119 74.252 1.00 31.40 C ATOM 1355 CD GLN A 88 -0.763 44.712 75.571 1.00 34.05 C ATOM 1356 OE1 GLN A 88 -0.200 45.540 76.286 1.00 2.01 O ATOM 1357 NE2 GLN A 88 -0.860 43.429 75.900 1.00 10.41 N ATOM 0 H GLN A 88 -2.398 43.169 72.905 1.00 74.21 H new ATOM 0 HA GLN A 88 -4.672 44.958 73.116 1.00 73.51 H new ATOM 0 HB2 GLN A 88 -3.205 46.175 74.661 1.00 42.13 H new ATOM 0 HB3 GLN A 88 -3.260 44.470 75.063 1.00 42.13 H new ATOM 0 HG2 GLN A 88 -1.093 44.409 73.480 1.00 31.40 H new ATOM 0 HG3 GLN A 88 -1.000 46.093 73.955 1.00 31.40 H new ATOM 0 HE21 GLN A 88 -1.336 42.777 75.276 1.00 10.41 H new ATOM 0 HE22 GLN A 88 -0.459 43.095 76.776 1.00 10.41 H new ATOM 1366 N TRP A 89 -2.084 45.626 71.234 1.00 62.44 N ATOM 1367 CA TRP A 89 -1.572 46.528 70.207 1.00 41.12 C ATOM 1368 C TRP A 89 -2.709 47.097 69.366 1.00 11.14 C ATOM 1369 O TRP A 89 -2.668 48.255 68.954 1.00 13.32 O ATOM 1370 CB TRP A 89 -0.573 45.798 69.309 1.00 0.52 C ATOM 1371 CG TRP A 89 -1.172 45.313 68.024 1.00 35.43 C ATOM 1372 CD1 TRP A 89 -1.449 44.020 67.685 1.00 21.44 C ATOM 1373 CD2 TRP A 89 -1.567 46.116 66.906 1.00 72.44 C ATOM 1374 NE1 TRP A 89 -1.993 43.971 66.424 1.00 70.40 N ATOM 1375 CE2 TRP A 89 -2.076 45.244 65.924 1.00 53.45 C ATOM 1376 CE3 TRP A 89 -1.541 47.489 66.640 1.00 23.21 C ATOM 1377 CZ2 TRP A 89 -2.552 45.699 64.699 1.00 34.31 C ATOM 1378 CZ3 TRP A 89 -2.014 47.939 65.422 1.00 60.21 C ATOM 1379 CH2 TRP A 89 -2.515 47.048 64.464 1.00 11.44 C ATOM 0 H TRP A 89 -1.544 44.769 71.350 1.00 62.44 H new ATOM 0 HA TRP A 89 -1.065 47.354 70.705 1.00 41.12 H new ATOM 0 HB2 TRP A 89 0.258 46.466 69.084 1.00 0.52 H new ATOM 0 HB3 TRP A 89 -0.161 44.948 69.853 1.00 0.52 H new ATOM 0 HD1 TRP A 89 -1.267 43.162 68.315 1.00 21.44 H new ATOM 0 HE1 TRP A 89 -2.287 43.124 65.939 1.00 70.40 H new ATOM 0 HE3 TRP A 89 -1.159 48.184 67.373 1.00 23.21 H new ATOM 0 HZ2 TRP A 89 -2.937 45.013 63.959 1.00 34.31 H new ATOM 0 HZ3 TRP A 89 -1.997 48.997 65.205 1.00 60.21 H new ATOM 0 HH2 TRP A 89 -2.879 47.432 63.522 1.00 11.44 H new ATOM 1390 N GLN A 90 -3.722 46.273 69.116 1.00 34.55 N ATOM 1391 CA GLN A 90 -4.871 46.697 68.322 1.00 4.33 C ATOM 1392 C GLN A 90 -5.613 47.841 69.005 1.00 12.41 C ATOM 1393 O GLN A 90 -6.055 48.783 68.350 1.00 73.11 O ATOM 1394 CB GLN A 90 -5.822 45.520 68.096 1.00 14.35 C ATOM 1395 CG GLN A 90 -7.158 45.924 67.493 1.00 43.22 C ATOM 1396 CD GLN A 90 -8.319 45.693 68.440 1.00 61.21 C ATOM 1397 OE1 GLN A 90 -8.134 45.572 69.651 1.00 4.11 O ATOM 1398 NE2 GLN A 90 -9.527 45.631 67.891 1.00 63.41 N ATOM 0 H GLN A 90 -3.771 45.311 69.450 1.00 34.55 H new ATOM 0 HA GLN A 90 -4.505 47.051 67.358 1.00 4.33 H new ATOM 0 HB2 GLN A 90 -5.341 44.796 67.439 1.00 14.35 H new ATOM 0 HB3 GLN A 90 -5.999 45.019 69.048 1.00 14.35 H new ATOM 0 HG2 GLN A 90 -7.124 46.978 67.216 1.00 43.22 H new ATOM 0 HG3 GLN A 90 -7.324 45.359 66.576 1.00 43.22 H new ATOM 0 HE21 GLN A 90 -9.635 45.737 66.882 1.00 63.41 H new ATOM 0 HE22 GLN A 90 -10.347 45.478 68.478 1.00 63.41 H new ATOM 1407 N GLU A 91 -5.745 47.750 70.324 1.00 51.44 N ATOM 1408 CA GLU A 91 -6.434 48.779 71.095 1.00 10.13 C ATOM 1409 C GLU A 91 -5.499 49.942 71.408 1.00 54.03 C ATOM 1410 O GLU A 91 -5.823 51.102 71.146 1.00 43.20 O ATOM 1411 CB GLU A 91 -6.987 48.189 72.395 1.00 64.15 C ATOM 1412 CG GLU A 91 -8.335 48.762 72.798 1.00 2.40 C ATOM 1413 CD GLU A 91 -8.932 48.054 73.999 1.00 34.44 C ATOM 1414 OE1 GLU A 91 -9.298 46.867 73.866 1.00 53.21 O ATOM 1415 OE2 GLU A 91 -9.035 48.687 75.071 1.00 11.35 O ATOM 0 H GLU A 91 -5.385 46.975 70.881 1.00 51.44 H new ATOM 0 HA GLU A 91 -7.262 49.154 70.494 1.00 10.13 H new ATOM 0 HB2 GLU A 91 -7.080 47.109 72.283 1.00 64.15 H new ATOM 0 HB3 GLU A 91 -6.271 48.366 73.198 1.00 64.15 H new ATOM 0 HG2 GLU A 91 -8.222 49.822 73.024 1.00 2.40 H new ATOM 0 HG3 GLU A 91 -9.024 48.687 71.957 1.00 2.40 H new ATOM 1422 N TYR A 92 -4.338 49.627 71.971 1.00 2.25 N ATOM 1423 CA TYR A 92 -3.356 50.645 72.323 1.00 32.32 C ATOM 1424 C TYR A 92 -3.092 51.577 71.143 1.00 54.41 C ATOM 1425 O TYR A 92 -3.224 52.795 71.257 1.00 35.30 O ATOM 1426 CB TYR A 92 -2.050 49.990 72.773 1.00 42.43 C ATOM 1427 CG TYR A 92 -2.042 49.594 74.233 1.00 21.41 C ATOM 1428 CD1 TYR A 92 -3.084 48.852 74.775 1.00 15.22 C ATOM 1429 CD2 TYR A 92 -0.995 49.961 75.068 1.00 33.41 C ATOM 1430 CE1 TYR A 92 -3.083 48.487 76.108 1.00 74.44 C ATOM 1431 CE2 TYR A 92 -0.984 49.600 76.401 1.00 1.32 C ATOM 1432 CZ TYR A 92 -2.030 48.863 76.917 1.00 74.40 C ATOM 1433 OH TYR A 92 -2.024 48.504 78.244 1.00 12.12 O ATOM 0 H TYR A 92 -4.054 48.673 72.194 1.00 2.25 H new ATOM 0 HA TYR A 92 -3.760 51.235 73.146 1.00 32.32 H new ATOM 0 HB2 TYR A 92 -1.869 49.104 72.164 1.00 42.43 H new ATOM 0 HB3 TYR A 92 -1.225 50.678 72.587 1.00 42.43 H new ATOM 0 HD1 TYR A 92 -3.909 48.555 74.144 1.00 15.22 H new ATOM 0 HD2 TYR A 92 -0.175 50.539 74.668 1.00 33.41 H new ATOM 0 HE1 TYR A 92 -3.901 47.911 76.514 1.00 74.44 H new ATOM 0 HE2 TYR A 92 -0.161 49.893 77.036 1.00 1.32 H new ATOM 0 HH TYR A 92 -1.212 48.846 78.672 1.00 12.12 H new ATOM 1443 N THR A 93 -2.715 50.994 70.010 1.00 25.35 N ATOM 1444 CA THR A 93 -2.431 51.769 68.810 1.00 23.24 C ATOM 1445 C THR A 93 -3.489 52.845 68.586 1.00 5.33 C ATOM 1446 O THR A 93 -3.186 53.934 68.102 1.00 34.22 O ATOM 1447 CB THR A 93 -2.359 50.868 67.562 1.00 11.43 C ATOM 1448 OG1 THR A 93 -2.121 51.663 66.396 1.00 74.44 O ATOM 1449 CG2 THR A 93 -3.648 50.079 67.390 1.00 34.45 C ATOM 0 H THR A 93 -2.599 49.987 69.899 1.00 25.35 H new ATOM 0 HA THR A 93 -1.461 52.243 68.963 1.00 23.24 H new ATOM 0 HB THR A 93 -1.536 50.166 67.695 1.00 11.43 H new ATOM 0 HG1 THR A 93 -1.412 51.252 65.859 1.00 74.44 H new ATOM 0 HG21 THR A 93 -3.574 49.450 66.503 1.00 34.45 H new ATOM 0 HG22 THR A 93 -3.811 49.452 68.267 1.00 34.45 H new ATOM 0 HG23 THR A 93 -4.484 50.769 67.277 1.00 34.45 H new ATOM 1457 N ALA A 94 -4.730 52.528 68.940 1.00 71.24 N ATOM 1458 CA ALA A 94 -5.832 53.470 68.781 1.00 44.04 C ATOM 1459 C ALA A 94 -5.759 54.583 69.820 1.00 0.13 C ATOM 1460 O ALA A 94 -6.069 55.738 69.529 1.00 1.24 O ATOM 1461 CB ALA A 94 -7.165 52.742 68.876 1.00 52.33 C ATOM 0 H ALA A 94 -4.998 51.628 69.338 1.00 71.24 H new ATOM 0 HA ALA A 94 -5.748 53.926 67.794 1.00 44.04 H new ATOM 0 HB1 ALA A 94 -7.979 53.457 68.756 1.00 52.33 H new ATOM 0 HB2 ALA A 94 -7.225 51.988 68.091 1.00 52.33 H new ATOM 0 HB3 ALA A 94 -7.247 52.259 69.850 1.00 52.33 H new ATOM 1467 N MET A 95 -5.347 54.228 71.032 1.00 11.53 N ATOM 1468 CA MET A 95 -5.234 55.197 72.115 1.00 40.25 C ATOM 1469 C MET A 95 -4.294 56.336 71.728 1.00 53.51 C ATOM 1470 O MET A 95 -4.374 57.434 72.280 1.00 73.42 O ATOM 1471 CB MET A 95 -4.730 54.516 73.389 1.00 32.12 C ATOM 1472 CG MET A 95 -4.410 55.488 74.513 1.00 1.32 C ATOM 1473 SD MET A 95 -3.867 54.656 76.017 1.00 52.32 S ATOM 1474 CE MET A 95 -5.441 54.185 76.731 1.00 42.34 C ATOM 0 H MET A 95 -5.086 53.276 71.289 1.00 11.53 H new ATOM 0 HA MET A 95 -6.224 55.612 72.302 1.00 40.25 H new ATOM 0 HB2 MET A 95 -5.484 53.809 73.735 1.00 32.12 H new ATOM 0 HB3 MET A 95 -3.836 53.939 73.153 1.00 32.12 H new ATOM 0 HG2 MET A 95 -3.632 56.176 74.182 1.00 1.32 H new ATOM 0 HG3 MET A 95 -5.294 56.087 74.733 1.00 1.32 H new ATOM 0 HE1 MET A 95 -5.271 53.658 77.670 1.00 42.34 H new ATOM 0 HE2 MET A 95 -6.037 55.078 76.918 1.00 42.34 H new ATOM 0 HE3 MET A 95 -5.973 53.532 76.040 1.00 42.34 H new ATOM 1484 N LEU A 96 -3.405 56.066 70.779 1.00 0.03 N ATOM 1485 CA LEU A 96 -2.450 57.068 70.319 1.00 14.31 C ATOM 1486 C LEU A 96 -3.137 58.118 69.452 1.00 41.13 C ATOM 1487 O LEU A 96 -3.155 59.301 69.789 1.00 15.40 O ATOM 1488 CB LEU A 96 -1.320 56.401 69.533 1.00 23.21 C ATOM 1489 CG LEU A 96 -0.827 55.059 70.075 1.00 11.03 C ATOM 1490 CD1 LEU A 96 0.226 54.465 69.152 1.00 2.34 C ATOM 1491 CD2 LEU A 96 -0.274 55.222 71.482 1.00 55.31 C ATOM 0 H LEU A 96 -3.325 55.162 70.313 1.00 0.03 H new ATOM 0 HA LEU A 96 -2.032 57.564 71.195 1.00 14.31 H new ATOM 0 HB2 LEU A 96 -1.656 56.254 68.506 1.00 23.21 H new ATOM 0 HB3 LEU A 96 -0.475 57.088 69.497 1.00 23.21 H new ATOM 0 HG LEU A 96 -1.673 54.373 70.117 1.00 11.03 H new ATOM 0 HD11 LEU A 96 0.565 53.510 69.554 1.00 2.34 H new ATOM 0 HD12 LEU A 96 -0.203 54.310 68.162 1.00 2.34 H new ATOM 0 HD13 LEU A 96 1.072 55.148 69.078 1.00 2.34 H new ATOM 0 HD21 LEU A 96 0.072 54.257 71.851 1.00 55.31 H new ATOM 0 HD22 LEU A 96 0.559 55.924 71.466 1.00 55.31 H new ATOM 0 HD23 LEU A 96 -1.056 55.602 72.139 1.00 55.31 H new ATOM 1503 N ARG A 97 -3.703 57.676 68.334 1.00 1.11 N ATOM 1504 CA ARG A 97 -4.392 58.577 67.418 1.00 34.11 C ATOM 1505 C ARG A 97 -5.633 59.176 68.076 1.00 42.21 C ATOM 1506 O ARG A 97 -5.968 60.337 67.848 1.00 70.22 O ATOM 1507 CB ARG A 97 -4.789 57.835 66.140 1.00 51.34 C ATOM 1508 CG ARG A 97 -5.458 56.495 66.397 1.00 65.24 C ATOM 1509 CD ARG A 97 -4.828 55.390 65.563 1.00 1.34 C ATOM 1510 NE ARG A 97 -5.612 55.090 64.368 1.00 72.25 N ATOM 1511 CZ ARG A 97 -5.478 53.975 63.661 1.00 4.24 C ATOM 1512 NH1 ARG A 97 -4.595 53.055 64.028 1.00 54.30 N ATOM 1513 NH2 ARG A 97 -6.228 53.774 62.585 1.00 73.30 N ATOM 0 H ARG A 97 -3.698 56.699 68.041 1.00 1.11 H new ATOM 0 HA ARG A 97 -3.709 59.387 67.163 1.00 34.11 H new ATOM 0 HB2 ARG A 97 -5.465 58.464 65.560 1.00 51.34 H new ATOM 0 HB3 ARG A 97 -3.899 57.676 65.531 1.00 51.34 H new ATOM 0 HG2 ARG A 97 -5.379 56.244 67.455 1.00 65.24 H new ATOM 0 HG3 ARG A 97 -6.521 56.567 66.165 1.00 65.24 H new ATOM 0 HD2 ARG A 97 -3.821 55.686 65.270 1.00 1.34 H new ATOM 0 HD3 ARG A 97 -4.732 54.489 66.169 1.00 1.34 H new ATOM 0 HE ARG A 97 -6.301 55.776 64.060 1.00 72.25 H new ATOM 0 HH11 ARG A 97 -4.017 53.204 64.855 1.00 54.30 H new ATOM 0 HH12 ARG A 97 -4.494 52.199 63.483 1.00 54.30 H new ATOM 0 HH21 ARG A 97 -6.909 54.477 62.300 1.00 73.30 H new ATOM 0 HH22 ARG A 97 -6.123 52.916 62.043 1.00 73.30 H new ATOM 1527 N GLU A 98 -6.308 58.374 68.894 1.00 70.51 N ATOM 1528 CA GLU A 98 -7.512 58.826 69.583 1.00 64.01 C ATOM 1529 C GLU A 98 -7.166 59.832 70.677 1.00 2.23 C ATOM 1530 O GLU A 98 -7.700 60.940 70.706 1.00 33.21 O ATOM 1531 CB GLU A 98 -8.258 57.634 70.187 1.00 65.13 C ATOM 1532 CG GLU A 98 -9.580 58.008 70.833 1.00 53.02 C ATOM 1533 CD GLU A 98 -10.597 56.885 70.774 1.00 32.24 C ATOM 1534 OE1 GLU A 98 -10.351 55.829 71.395 1.00 63.42 O ATOM 1535 OE2 GLU A 98 -11.638 57.060 70.108 1.00 72.22 O ATOM 0 H GLU A 98 -6.042 57.410 69.096 1.00 70.51 H new ATOM 0 HA GLU A 98 -8.156 59.316 68.853 1.00 64.01 H new ATOM 0 HB2 GLU A 98 -8.441 56.897 69.405 1.00 65.13 H new ATOM 0 HB3 GLU A 98 -7.621 57.157 70.932 1.00 65.13 H new ATOM 0 HG2 GLU A 98 -9.407 58.282 71.874 1.00 53.02 H new ATOM 0 HG3 GLU A 98 -9.987 58.888 70.335 1.00 53.02 H new ATOM 1542 N ARG A 99 -6.271 59.436 71.575 1.00 23.12 N ATOM 1543 CA ARG A 99 -5.855 60.301 72.672 1.00 12.31 C ATOM 1544 C ARG A 99 -4.557 61.026 72.331 1.00 54.25 C ATOM 1545 O ARG A 99 -3.832 61.473 73.220 1.00 65.35 O ATOM 1546 CB ARG A 99 -5.675 59.486 73.954 1.00 5.34 C ATOM 1547 CG ARG A 99 -5.729 60.321 75.222 1.00 33.42 C ATOM 1548 CD ARG A 99 -7.162 60.552 75.676 1.00 23.31 C ATOM 1549 NE ARG A 99 -7.278 60.566 77.132 1.00 75.53 N ATOM 1550 CZ ARG A 99 -8.284 61.142 77.782 1.00 40.44 C ATOM 1551 NH1 ARG A 99 -9.254 61.745 77.110 1.00 63.40 N ATOM 1552 NH2 ARG A 99 -8.320 61.113 79.108 1.00 32.12 N ATOM 0 H ARG A 99 -5.820 58.521 71.565 1.00 23.12 H new ATOM 0 HA ARG A 99 -6.636 61.045 72.830 1.00 12.31 H new ATOM 0 HB2 ARG A 99 -6.451 58.722 74.000 1.00 5.34 H new ATOM 0 HB3 ARG A 99 -4.718 58.967 73.912 1.00 5.34 H new ATOM 0 HG2 ARG A 99 -5.172 59.819 76.013 1.00 33.42 H new ATOM 0 HG3 ARG A 99 -5.242 61.281 75.048 1.00 33.42 H new ATOM 0 HD2 ARG A 99 -7.522 61.499 75.274 1.00 23.31 H new ATOM 0 HD3 ARG A 99 -7.802 59.770 75.269 1.00 23.31 H new ATOM 0 HE ARG A 99 -6.548 60.109 77.679 1.00 75.53 H new ATOM 0 HH11 ARG A 99 -9.230 61.768 76.091 1.00 63.40 H new ATOM 0 HH12 ARG A 99 -10.025 62.186 77.612 1.00 63.40 H new ATOM 0 HH21 ARG A 99 -7.576 60.649 79.628 1.00 32.12 H new ATOM 0 HH22 ARG A 99 -9.092 61.555 79.607 1.00 32.12 H new ATOM 1566 N PHE A 100 -4.270 61.139 71.039 1.00 24.44 N ATOM 1567 CA PHE A 100 -3.058 61.808 70.580 1.00 34.01 C ATOM 1568 C PHE A 100 -2.923 63.187 71.221 1.00 4.40 C ATOM 1569 O PHE A 100 -1.815 63.652 71.487 1.00 14.11 O ATOM 1570 CB PHE A 100 -3.071 61.942 69.056 1.00 45.14 C ATOM 1571 CG PHE A 100 -3.618 63.255 68.573 1.00 31.02 C ATOM 1572 CD1 PHE A 100 -4.985 63.457 68.479 1.00 52.32 C ATOM 1573 CD2 PHE A 100 -2.765 64.285 68.213 1.00 70.10 C ATOM 1574 CE1 PHE A 100 -5.492 64.664 68.036 1.00 73.34 C ATOM 1575 CE2 PHE A 100 -3.267 65.495 67.769 1.00 41.34 C ATOM 1576 CZ PHE A 100 -4.631 65.684 67.679 1.00 13.13 C ATOM 0 H PHE A 100 -4.860 60.776 70.291 1.00 24.44 H new ATOM 0 HA PHE A 100 -2.202 61.202 70.878 1.00 34.01 H new ATOM 0 HB2 PHE A 100 -2.055 61.821 68.680 1.00 45.14 H new ATOM 0 HB3 PHE A 100 -3.666 61.132 68.633 1.00 45.14 H new ATOM 0 HD1 PHE A 100 -5.662 62.662 68.755 1.00 52.32 H new ATOM 0 HD2 PHE A 100 -1.697 64.142 68.280 1.00 70.10 H new ATOM 0 HE1 PHE A 100 -6.560 64.810 67.969 1.00 73.34 H new ATOM 0 HE2 PHE A 100 -2.592 66.291 67.493 1.00 41.34 H new ATOM 0 HZ PHE A 100 -5.025 66.627 67.330 1.00 13.13 H new ATOM 1586 N ALA A 101 -4.057 63.833 71.467 1.00 25.43 N ATOM 1587 CA ALA A 101 -4.066 65.156 72.077 1.00 53.44 C ATOM 1588 C ALA A 101 -3.234 65.176 73.356 1.00 73.01 C ATOM 1589 O ALA A 101 -2.779 66.231 73.796 1.00 30.34 O ATOM 1590 CB ALA A 101 -5.494 65.594 72.368 1.00 41.23 C ATOM 0 H ALA A 101 -4.982 63.461 71.253 1.00 25.43 H new ATOM 0 HA ALA A 101 -3.619 65.857 71.372 1.00 53.44 H new ATOM 0 HB1 ALA A 101 -5.485 66.584 72.824 1.00 41.23 H new ATOM 0 HB2 ALA A 101 -6.061 65.628 71.438 1.00 41.23 H new ATOM 0 HB3 ALA A 101 -5.960 64.884 73.051 1.00 41.23 H new ATOM 1596 N GLY A 102 -3.038 64.002 73.948 1.00 22.24 N ATOM 1597 CA GLY A 102 -2.263 63.906 75.170 1.00 54.02 C ATOM 1598 C GLY A 102 -0.774 63.798 74.906 1.00 63.55 C ATOM 1599 O GLY A 102 0.019 64.570 75.447 1.00 73.31 O ATOM 0 H GLY A 102 -3.403 63.115 73.602 1.00 22.24 H new ATOM 0 HA2 GLY A 102 -2.456 64.782 75.789 1.00 54.02 H new ATOM 0 HA3 GLY A 102 -2.592 63.036 75.738 1.00 54.02 H new ATOM 1603 N LEU A 103 -0.392 62.838 74.070 1.00 72.32 N ATOM 1604 CA LEU A 103 1.012 62.631 73.735 1.00 44.13 C ATOM 1605 C LEU A 103 1.493 63.674 72.732 1.00 21.40 C ATOM 1606 O LEU A 103 2.603 63.580 72.206 1.00 75.11 O ATOM 1607 CB LEU A 103 1.219 61.227 73.165 1.00 12.45 C ATOM 1608 CG LEU A 103 0.354 60.857 71.960 1.00 10.15 C ATOM 1609 CD1 LEU A 103 0.987 61.362 70.673 1.00 3.41 C ATOM 1610 CD2 LEU A 103 0.141 59.351 71.898 1.00 71.25 C ATOM 0 H LEU A 103 -1.035 62.192 73.612 1.00 72.32 H new ATOM 0 HA LEU A 103 1.596 62.736 74.649 1.00 44.13 H new ATOM 0 HB2 LEU A 103 2.266 61.123 72.881 1.00 12.45 H new ATOM 0 HB3 LEU A 103 1.030 60.503 73.958 1.00 12.45 H new ATOM 0 HG LEU A 103 -0.618 61.336 72.074 1.00 10.15 H new ATOM 0 HD11 LEU A 103 0.357 61.089 69.826 1.00 3.41 H new ATOM 0 HD12 LEU A 103 1.086 62.447 70.717 1.00 3.41 H new ATOM 0 HD13 LEU A 103 1.973 60.913 70.552 1.00 3.41 H new ATOM 0 HD21 LEU A 103 -0.477 59.106 71.034 1.00 71.25 H new ATOM 0 HD22 LEU A 103 1.105 58.851 71.808 1.00 71.25 H new ATOM 0 HD23 LEU A 103 -0.358 59.016 72.807 1.00 71.25 H new