USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=13 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 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 148:sc= -8.14! (180deg=-12.3!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -5.34! C(o=-5.3!,f=-7.8!) USER MOD Single : A 44 HIS : no HD1:sc= -0.562 K(o=-0.56,f=0.065) USER MOD Single : A 45 THR OG1 : rot 67:sc= 1.05 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) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 82:sc= 0.527 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 65:sc= 0.00759 USER MOD Single : A 65 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.042) USER MOD Single : A 69 GLN : amide:sc= -2.58! C(o=-2.6!,f=-3.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.115 K(o=-0.12,f=-1.8!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 79 THR OG1 : rot -31:sc= 0.583 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -168:sc= -0.475 (180deg=-0.787) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 90 GLN : amide:sc= -7.46! C(o=-7.5!,f=-12!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 81:sc= 0.00674 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 15.736 46.672 69.061 1.00 40.12 N ATOM 249 CA LYS A 17 15.585 45.434 68.304 1.00 73.23 C ATOM 250 C LYS A 17 14.115 45.152 68.012 1.00 4.13 C ATOM 251 O LYS A 17 13.234 45.905 68.428 1.00 64.01 O ATOM 252 CB LYS A 17 16.198 44.263 69.075 1.00 40.11 C ATOM 253 CG LYS A 17 17.688 44.417 69.333 1.00 31.44 C ATOM 254 CD LYS A 17 18.082 43.838 70.681 1.00 45.34 C ATOM 255 CE LYS A 17 19.113 42.730 70.532 1.00 61.14 C ATOM 256 NZ LYS A 17 20.500 43.231 70.741 1.00 32.21 N ATOM 0 HA LYS A 17 16.110 45.550 67.356 1.00 73.23 H new ATOM 0 HB2 LYS A 17 15.682 44.157 70.029 1.00 40.11 H new ATOM 0 HB3 LYS A 17 16.028 43.342 68.517 1.00 40.11 H new ATOM 0 HG2 LYS A 17 18.249 43.917 68.543 1.00 31.44 H new ATOM 0 HG3 LYS A 17 17.958 45.473 69.296 1.00 31.44 H new ATOM 0 HD2 LYS A 17 18.485 44.629 71.314 1.00 45.34 H new ATOM 0 HD3 LYS A 17 17.197 43.448 71.183 1.00 45.34 H new ATOM 0 HE2 LYS A 17 18.901 41.938 71.250 1.00 61.14 H new ATOM 0 HE3 LYS A 17 19.032 42.290 69.538 1.00 61.14 H new ATOM 0 HZ1 LYS A 17 21.173 42.446 70.631 1.00 32.21 H new ATOM 0 HZ2 LYS A 17 20.712 43.969 70.040 1.00 32.21 H new ATOM 0 HZ3 LYS A 17 20.585 43.628 71.698 1.00 32.21 H new ATOM 270 N TRP A 18 13.858 44.062 67.297 1.00 60.53 N ATOM 271 CA TRP A 18 12.494 43.680 66.951 1.00 62.00 C ATOM 272 C TRP A 18 11.620 43.595 68.197 1.00 12.13 C ATOM 273 O TRP A 18 12.117 43.659 69.323 1.00 65.23 O ATOM 274 CB TRP A 18 12.489 42.339 66.217 1.00 64.14 C ATOM 275 CG TRP A 18 13.384 42.316 65.015 1.00 63.13 C ATOM 276 CD1 TRP A 18 14.735 42.110 65.001 1.00 13.25 C ATOM 277 CD2 TRP A 18 12.993 42.510 63.651 1.00 54.04 C ATOM 278 NE1 TRP A 18 15.206 42.163 63.712 1.00 12.11 N ATOM 279 CE2 TRP A 18 14.157 42.407 62.865 1.00 4.31 C ATOM 280 CE3 TRP A 18 11.773 42.759 63.017 1.00 11.11 C ATOM 281 CZ2 TRP A 18 14.135 42.544 61.480 1.00 71.33 C ATOM 282 CZ3 TRP A 18 11.752 42.896 61.643 1.00 24.12 C ATOM 283 CH2 TRP A 18 12.926 42.787 60.885 1.00 74.24 C ATOM 0 H TRP A 18 14.576 43.428 66.946 1.00 60.53 H new ATOM 0 HA TRP A 18 12.084 44.447 66.294 1.00 62.00 H new ATOM 0 HB2 TRP A 18 12.799 41.554 66.907 1.00 64.14 H new ATOM 0 HB3 TRP A 18 11.470 42.107 65.907 1.00 64.14 H new ATOM 0 HD1 TRP A 18 15.343 41.932 65.876 1.00 13.25 H new ATOM 0 HE1 TRP A 18 16.179 42.041 63.431 1.00 12.11 H new ATOM 0 HE3 TRP A 18 10.862 42.843 63.591 1.00 11.11 H new ATOM 0 HZ2 TRP A 18 15.039 42.462 60.895 1.00 71.33 H new ATOM 0 HZ3 TRP A 18 10.814 43.091 61.144 1.00 24.12 H new ATOM 0 HH2 TRP A 18 12.876 42.897 59.812 1.00 74.24 H new ATOM 294 N LEU A 19 10.315 43.449 67.991 1.00 44.31 N ATOM 295 CA LEU A 19 9.372 43.354 69.099 1.00 13.31 C ATOM 296 C LEU A 19 9.712 42.174 70.004 1.00 4.45 C ATOM 297 O LEU A 19 9.827 41.037 69.543 1.00 63.44 O ATOM 298 CB LEU A 19 7.944 43.209 68.568 1.00 43.35 C ATOM 299 CG LEU A 19 7.035 44.425 68.748 1.00 55.24 C ATOM 300 CD1 LEU A 19 6.696 44.625 70.218 1.00 25.44 C ATOM 301 CD2 LEU A 19 7.694 45.673 68.177 1.00 51.03 C ATOM 0 H LEU A 19 9.887 43.394 67.067 1.00 44.31 H new ATOM 0 HA LEU A 19 9.444 44.270 69.685 1.00 13.31 H new ATOM 0 HB2 LEU A 19 7.995 42.973 67.505 1.00 43.35 H new ATOM 0 HB3 LEU A 19 7.479 42.356 69.062 1.00 43.35 H new ATOM 0 HG LEU A 19 6.108 44.246 68.203 1.00 55.24 H new ATOM 0 HD11 LEU A 19 6.048 45.495 70.327 1.00 25.44 H new ATOM 0 HD12 LEU A 19 6.183 43.741 70.597 1.00 25.44 H new ATOM 0 HD13 LEU A 19 7.614 44.783 70.785 1.00 25.44 H new ATOM 0 HD21 LEU A 19 7.033 46.529 68.314 1.00 51.03 H new ATOM 0 HD22 LEU A 19 8.636 45.856 68.694 1.00 51.03 H new ATOM 0 HD23 LEU A 19 7.886 45.529 67.114 1.00 51.03 H new ATOM 313 N ASP A 20 9.869 42.450 71.294 1.00 14.24 N ATOM 314 CA ASP A 20 10.192 41.411 72.265 1.00 32.25 C ATOM 315 C ASP A 20 11.456 40.661 71.858 1.00 2.05 C ATOM 316 O ASP A 20 11.507 39.433 71.913 1.00 33.11 O ATOM 317 CB ASP A 20 9.025 40.431 72.402 1.00 31.05 C ATOM 318 CG ASP A 20 8.730 40.081 73.848 1.00 21.42 C ATOM 319 OD1 ASP A 20 8.515 41.013 74.650 1.00 53.43 O ATOM 320 OD2 ASP A 20 8.713 38.876 74.176 1.00 61.24 O ATOM 0 H ASP A 20 9.778 43.385 71.692 1.00 14.24 H new ATOM 0 HA ASP A 20 10.369 41.890 73.228 1.00 32.25 H new ATOM 0 HB2 ASP A 20 8.135 40.865 71.947 1.00 31.05 H new ATOM 0 HB3 ASP A 20 9.253 39.519 71.850 1.00 31.05 H new ATOM 325 N GLY A 21 12.475 41.409 71.448 1.00 23.40 N ATOM 326 CA GLY A 21 13.726 40.798 71.036 1.00 30.40 C ATOM 327 C GLY A 21 14.933 41.475 71.655 1.00 10.04 C ATOM 328 O GLY A 21 15.988 41.573 71.027 1.00 52.41 O ATOM 0 H GLY A 21 12.457 42.427 71.394 1.00 23.40 H new ATOM 0 HA2 GLY A 21 13.721 39.744 71.315 1.00 30.40 H new ATOM 0 HA3 GLY A 21 13.807 40.840 69.950 1.00 30.40 H new ATOM 332 N LEU A 22 14.778 41.943 72.888 1.00 42.32 N ATOM 333 CA LEU A 22 15.864 42.616 73.593 1.00 44.23 C ATOM 334 C LEU A 22 16.245 41.857 74.859 1.00 1.15 C ATOM 335 O LEU A 22 15.455 41.760 75.798 1.00 51.43 O ATOM 336 CB LEU A 22 15.460 44.048 73.946 1.00 43.13 C ATOM 337 CG LEU A 22 15.253 44.997 72.765 1.00 35.45 C ATOM 338 CD1 LEU A 22 13.894 44.761 72.123 1.00 72.41 C ATOM 339 CD2 LEU A 22 15.387 46.445 73.214 1.00 60.14 C ATOM 0 H LEU A 22 13.911 41.869 73.421 1.00 42.32 H new ATOM 0 HA LEU A 22 16.731 42.642 72.932 1.00 44.23 H new ATOM 0 HB2 LEU A 22 14.536 44.012 74.524 1.00 43.13 H new ATOM 0 HB3 LEU A 22 16.226 44.471 74.596 1.00 43.13 H new ATOM 0 HG LEU A 22 16.024 44.795 72.022 1.00 35.45 H new ATOM 0 HD11 LEU A 22 13.764 45.445 71.284 1.00 72.41 H new ATOM 0 HD12 LEU A 22 13.834 43.733 71.765 1.00 72.41 H new ATOM 0 HD13 LEU A 22 13.109 44.935 72.859 1.00 72.41 H new ATOM 0 HD21 LEU A 22 15.237 47.106 72.360 1.00 60.14 H new ATOM 0 HD22 LEU A 22 14.638 46.660 73.976 1.00 60.14 H new ATOM 0 HD23 LEU A 22 16.382 46.607 73.627 1.00 60.14 H new ATOM 351 N ARG A 23 17.461 41.320 74.879 1.00 1.11 N ATOM 352 CA ARG A 23 17.947 40.569 76.030 1.00 14.41 C ATOM 353 C ARG A 23 19.097 41.304 76.713 1.00 24.52 C ATOM 354 O ARG A 23 19.235 41.264 77.934 1.00 2.53 O ATOM 355 CB ARG A 23 18.402 39.173 75.601 1.00 21.22 C ATOM 356 CG ARG A 23 18.167 38.105 76.657 1.00 44.11 C ATOM 357 CD ARG A 23 18.658 36.744 76.190 1.00 4.12 C ATOM 358 NE ARG A 23 18.311 35.683 77.133 1.00 32.25 N ATOM 359 CZ ARG A 23 18.967 35.462 78.266 1.00 75.35 C ATOM 360 NH1 ARG A 23 20.001 36.224 78.597 1.00 65.53 N ATOM 361 NH2 ARG A 23 18.591 34.478 79.072 1.00 32.53 N ATOM 0 H ARG A 23 18.128 41.391 74.110 1.00 1.11 H new ATOM 0 HA ARG A 23 17.127 40.473 76.741 1.00 14.41 H new ATOM 0 HB2 ARG A 23 17.875 38.893 74.689 1.00 21.22 H new ATOM 0 HB3 ARG A 23 19.464 39.205 75.358 1.00 21.22 H new ATOM 0 HG2 ARG A 23 18.681 38.382 77.577 1.00 44.11 H new ATOM 0 HG3 ARG A 23 17.104 38.049 76.890 1.00 44.11 H new ATOM 0 HD2 ARG A 23 18.226 36.518 75.215 1.00 4.12 H new ATOM 0 HD3 ARG A 23 19.740 36.774 76.060 1.00 4.12 H new ATOM 0 HE ARG A 23 17.521 35.078 76.908 1.00 32.25 H new ATOM 0 HH11 ARG A 23 20.294 36.982 77.981 1.00 65.53 H new ATOM 0 HH12 ARG A 23 20.503 36.052 79.468 1.00 65.53 H new ATOM 0 HH21 ARG A 23 17.796 33.889 78.822 1.00 32.53 H new ATOM 0 HH22 ARG A 23 19.096 34.310 79.942 1.00 32.53 H new ATOM 449 N GLN A 30 7.714 50.821 77.277 1.00 71.10 N ATOM 450 CA GLN A 30 6.740 51.364 76.336 1.00 12.22 C ATOM 451 C GLN A 30 7.433 51.927 75.100 1.00 62.11 C ATOM 452 O GLN A 30 6.796 52.169 74.076 1.00 71.54 O ATOM 453 CB GLN A 30 5.904 52.454 77.007 1.00 34.33 C ATOM 454 CG GLN A 30 4.931 51.921 78.047 1.00 51.24 C ATOM 455 CD GLN A 30 4.137 53.023 78.722 1.00 1.05 C ATOM 456 OE1 GLN A 30 3.214 53.587 78.133 1.00 55.21 O ATOM 457 NE2 GLN A 30 4.491 53.335 79.963 1.00 3.53 N ATOM 0 HA GLN A 30 6.083 50.553 76.024 1.00 12.22 H new ATOM 0 HB2 GLN A 30 6.572 53.173 77.481 1.00 34.33 H new ATOM 0 HB3 GLN A 30 5.346 52.994 76.243 1.00 34.33 H new ATOM 0 HG2 GLN A 30 4.243 51.222 77.571 1.00 51.24 H new ATOM 0 HG3 GLN A 30 5.483 51.361 78.802 1.00 51.24 H new ATOM 0 HE21 GLN A 30 5.262 52.842 80.413 1.00 3.53 H new ATOM 0 HE22 GLN A 30 3.992 54.068 80.467 1.00 3.53 H new ATOM 466 N GLY A 31 8.742 52.133 75.203 1.00 45.53 N ATOM 467 CA GLY A 31 9.500 52.666 74.086 1.00 44.41 C ATOM 468 C GLY A 31 9.178 51.967 72.780 1.00 3.40 C ATOM 469 O GLY A 31 9.433 52.503 71.702 1.00 23.45 O ATOM 0 H GLY A 31 9.292 51.940 76.040 1.00 45.53 H new ATOM 0 HA2 GLY A 31 9.292 53.731 73.985 1.00 44.41 H new ATOM 0 HA3 GLY A 31 10.565 52.568 74.294 1.00 44.41 H new ATOM 473 N ASP A 32 8.618 50.765 72.877 1.00 52.22 N ATOM 474 CA ASP A 32 8.262 49.991 71.694 1.00 25.30 C ATOM 475 C ASP A 32 7.157 50.685 70.902 1.00 40.50 C ATOM 476 O ASP A 32 7.331 51.007 69.728 1.00 24.41 O ATOM 477 CB ASP A 32 7.812 48.585 72.095 1.00 60.35 C ATOM 478 CG ASP A 32 8.842 47.528 71.749 1.00 14.24 C ATOM 479 OD1 ASP A 32 9.099 47.322 70.544 1.00 72.02 O ATOM 480 OD2 ASP A 32 9.390 46.904 72.683 1.00 11.24 O ATOM 0 H ASP A 32 8.401 50.307 73.762 1.00 52.22 H new ATOM 0 HA ASP A 32 9.146 49.915 71.061 1.00 25.30 H new ATOM 0 HB2 ASP A 32 7.617 48.561 73.167 1.00 60.35 H new ATOM 0 HB3 ASP A 32 6.873 48.351 71.594 1.00 60.35 H new ATOM 485 N VAL A 33 6.022 50.912 71.555 1.00 4.35 N ATOM 486 CA VAL A 33 4.888 51.567 70.912 1.00 42.34 C ATOM 487 C VAL A 33 5.039 53.084 70.949 1.00 34.01 C ATOM 488 O VAL A 33 4.583 53.786 70.046 1.00 41.44 O ATOM 489 CB VAL A 33 3.559 51.177 71.585 1.00 52.03 C ATOM 490 CG1 VAL A 33 2.390 51.861 70.895 1.00 61.54 C ATOM 491 CG2 VAL A 33 3.383 49.667 71.580 1.00 24.32 C ATOM 0 H VAL A 33 5.863 50.652 72.528 1.00 4.35 H new ATOM 0 HA VAL A 33 4.873 51.231 69.875 1.00 42.34 H new ATOM 0 HB VAL A 33 3.584 51.513 72.622 1.00 52.03 H new ATOM 0 HG11 VAL A 33 1.460 51.573 71.385 1.00 61.54 H new ATOM 0 HG12 VAL A 33 2.513 52.942 70.957 1.00 61.54 H new ATOM 0 HG13 VAL A 33 2.358 51.559 69.848 1.00 61.54 H new ATOM 0 HG21 VAL A 33 2.439 49.409 72.059 1.00 24.32 H new ATOM 0 HG22 VAL A 33 3.379 49.305 70.552 1.00 24.32 H new ATOM 0 HG23 VAL A 33 4.205 49.203 72.125 1.00 24.32 H new ATOM 501 N LYS A 34 5.682 53.584 71.998 1.00 13.20 N ATOM 502 CA LYS A 34 5.895 55.018 72.154 1.00 24.44 C ATOM 503 C LYS A 34 6.537 55.611 70.903 1.00 53.12 C ATOM 504 O LYS A 34 6.306 56.773 70.567 1.00 24.13 O ATOM 505 CB LYS A 34 6.777 55.295 73.373 1.00 30.15 C ATOM 506 CG LYS A 34 7.325 56.710 73.419 1.00 61.25 C ATOM 507 CD LYS A 34 7.426 57.224 74.846 1.00 63.30 C ATOM 508 CE LYS A 34 8.749 57.931 75.091 1.00 41.24 C ATOM 509 NZ LYS A 34 8.932 58.283 76.526 1.00 50.23 N ATOM 0 H LYS A 34 6.065 53.017 72.754 1.00 13.20 H new ATOM 0 HA LYS A 34 4.924 55.490 72.302 1.00 24.44 H new ATOM 0 HB2 LYS A 34 6.200 55.109 74.278 1.00 30.15 H new ATOM 0 HB3 LYS A 34 7.610 54.592 73.376 1.00 30.15 H new ATOM 0 HG2 LYS A 34 8.310 56.735 72.952 1.00 61.25 H new ATOM 0 HG3 LYS A 34 6.680 57.370 72.839 1.00 61.25 H new ATOM 0 HD2 LYS A 34 6.603 57.910 75.046 1.00 63.30 H new ATOM 0 HD3 LYS A 34 7.323 56.391 75.542 1.00 63.30 H new ATOM 0 HE2 LYS A 34 9.569 57.290 74.767 1.00 41.24 H new ATOM 0 HE3 LYS A 34 8.794 58.837 74.486 1.00 41.24 H new ATOM 0 HZ1 LYS A 34 9.846 58.763 76.652 1.00 50.23 H new ATOM 0 HZ2 LYS A 34 8.164 58.915 76.829 1.00 50.23 H new ATOM 0 HZ3 LYS A 34 8.914 57.417 77.101 1.00 50.23 H new ATOM 523 N VAL A 35 7.342 54.805 70.219 1.00 22.51 N ATOM 524 CA VAL A 35 8.015 55.250 69.004 1.00 44.02 C ATOM 525 C VAL A 35 7.158 54.983 67.772 1.00 62.23 C ATOM 526 O VAL A 35 7.236 55.709 66.780 1.00 72.01 O ATOM 527 CB VAL A 35 9.377 54.552 68.829 1.00 2.52 C ATOM 528 CG1 VAL A 35 10.227 54.718 70.079 1.00 72.01 C ATOM 529 CG2 VAL A 35 9.182 53.079 68.501 1.00 24.52 C ATOM 0 H VAL A 35 7.544 53.841 70.485 1.00 22.51 H new ATOM 0 HA VAL A 35 8.175 56.323 69.106 1.00 44.02 H new ATOM 0 HB VAL A 35 9.901 55.021 67.996 1.00 2.52 H new ATOM 0 HG11 VAL A 35 11.185 54.218 69.936 1.00 72.01 H new ATOM 0 HG12 VAL A 35 10.395 55.779 70.266 1.00 72.01 H new ATOM 0 HG13 VAL A 35 9.711 54.276 70.931 1.00 72.01 H new ATOM 0 HG21 VAL A 35 10.154 52.601 68.381 1.00 24.52 H new ATOM 0 HG22 VAL A 35 8.638 52.595 69.312 1.00 24.52 H new ATOM 0 HG23 VAL A 35 8.614 52.984 67.575 1.00 24.52 H new ATOM 539 N TRP A 36 6.341 53.939 67.841 1.00 63.11 N ATOM 540 CA TRP A 36 5.468 53.577 66.730 1.00 30.30 C ATOM 541 C TRP A 36 4.805 54.814 66.133 1.00 4.30 C ATOM 542 O TRP A 36 4.433 54.824 64.960 1.00 40.03 O ATOM 543 CB TRP A 36 4.400 52.585 67.196 1.00 65.11 C ATOM 544 CG TRP A 36 4.933 51.203 67.424 1.00 51.13 C ATOM 545 CD1 TRP A 36 6.239 50.807 67.360 1.00 13.54 C ATOM 546 CD2 TRP A 36 4.173 50.035 67.750 1.00 12.42 C ATOM 547 NE1 TRP A 36 6.335 49.462 67.628 1.00 64.10 N ATOM 548 CE2 TRP A 36 5.082 48.966 67.870 1.00 12.22 C ATOM 549 CE3 TRP A 36 2.812 49.788 67.955 1.00 63.22 C ATOM 550 CZ2 TRP A 36 4.673 47.672 68.185 1.00 31.10 C ATOM 551 CZ3 TRP A 36 2.408 48.503 68.266 1.00 61.13 C ATOM 552 CH2 TRP A 36 3.335 47.460 68.379 1.00 1.03 C ATOM 0 H TRP A 36 6.264 53.328 68.654 1.00 63.11 H new ATOM 0 HA TRP A 36 6.078 53.107 65.959 1.00 30.30 H new ATOM 0 HB2 TRP A 36 3.952 52.951 68.120 1.00 65.11 H new ATOM 0 HB3 TRP A 36 3.605 52.542 66.452 1.00 65.11 H new ATOM 0 HD1 TRP A 36 7.073 51.455 67.133 1.00 13.54 H new ATOM 0 HE1 TRP A 36 7.200 48.921 67.644 1.00 64.10 H new ATOM 0 HE3 TRP A 36 2.090 50.587 67.872 1.00 63.22 H new ATOM 0 HZ2 TRP A 36 5.386 46.866 68.273 1.00 31.10 H new ATOM 0 HZ3 TRP A 36 1.359 48.300 68.425 1.00 61.13 H new ATOM 0 HH2 TRP A 36 2.987 46.467 68.624 1.00 1.03 H new ATOM 563 N MET A 37 4.661 55.854 66.948 1.00 3.15 N ATOM 564 CA MET A 37 4.043 57.096 66.498 1.00 12.32 C ATOM 565 C MET A 37 5.068 57.996 65.816 1.00 44.14 C ATOM 566 O MET A 37 4.774 58.627 64.801 1.00 45.44 O ATOM 567 CB MET A 37 3.407 57.832 67.680 1.00 2.24 C ATOM 568 CG MET A 37 4.375 58.099 68.821 1.00 62.43 C ATOM 569 SD MET A 37 3.661 57.737 70.436 1.00 44.21 S ATOM 570 CE MET A 37 2.989 56.101 70.150 1.00 75.32 C ATOM 0 H MET A 37 4.963 55.861 67.922 1.00 3.15 H new ATOM 0 HA MET A 37 3.267 56.846 65.775 1.00 12.32 H new ATOM 0 HB2 MET A 37 3.000 58.781 67.330 1.00 2.24 H new ATOM 0 HB3 MET A 37 2.569 57.244 68.055 1.00 2.24 H new ATOM 0 HG2 MET A 37 5.271 57.495 68.681 1.00 62.43 H new ATOM 0 HG3 MET A 37 4.686 59.143 68.791 1.00 62.43 H new ATOM 0 HE1 MET A 37 3.035 55.522 71.072 1.00 75.32 H new ATOM 0 HE2 MET A 37 1.952 56.185 69.826 1.00 75.32 H new ATOM 0 HE3 MET A 37 3.571 55.599 69.377 1.00 75.32 H new ATOM 580 N GLN A 38 6.270 58.052 66.380 1.00 54.40 N ATOM 581 CA GLN A 38 7.337 58.876 65.826 1.00 53.53 C ATOM 582 C GLN A 38 7.877 58.272 64.534 1.00 1.11 C ATOM 583 O GLN A 38 8.387 58.984 63.671 1.00 32.45 O ATOM 584 CB GLN A 38 8.470 59.033 66.843 1.00 3.20 C ATOM 585 CG GLN A 38 9.421 57.847 66.880 1.00 13.14 C ATOM 586 CD GLN A 38 10.712 58.158 67.612 1.00 4.40 C ATOM 587 OE1 GLN A 38 10.709 58.429 68.813 1.00 11.13 O ATOM 588 NE2 GLN A 38 11.826 58.119 66.890 1.00 61.21 N ATOM 0 H GLN A 38 6.529 57.536 67.221 1.00 54.40 H new ATOM 0 HA GLN A 38 6.923 59.859 65.600 1.00 53.53 H new ATOM 0 HB2 GLN A 38 9.036 59.935 66.609 1.00 3.20 H new ATOM 0 HB3 GLN A 38 8.040 59.175 67.835 1.00 3.20 H new ATOM 0 HG2 GLN A 38 8.927 57.005 67.364 1.00 13.14 H new ATOM 0 HG3 GLN A 38 9.651 57.538 65.860 1.00 13.14 H new ATOM 0 HE21 GLN A 38 11.782 57.890 65.897 1.00 61.21 H new ATOM 0 HE22 GLN A 38 12.725 58.318 67.328 1.00 61.21 H new ATOM 597 N ASN A 39 7.760 56.954 64.410 1.00 45.20 N ATOM 598 CA ASN A 39 8.239 56.253 63.224 1.00 21.54 C ATOM 599 C ASN A 39 7.459 56.687 61.985 1.00 60.44 C ATOM 600 O ASN A 39 8.027 56.843 60.903 1.00 11.42 O ATOM 601 CB ASN A 39 8.113 54.741 63.414 1.00 25.21 C ATOM 602 CG ASN A 39 9.417 54.014 63.146 1.00 42.24 C ATOM 603 OD1 ASN A 39 10.338 54.570 62.547 1.00 44.44 O ATOM 604 ND2 ASN A 39 9.502 52.767 63.591 1.00 10.33 N ATOM 0 H ASN A 39 7.338 56.350 65.116 1.00 45.20 H new ATOM 0 HA ASN A 39 9.289 56.508 63.080 1.00 21.54 H new ATOM 0 HB2 ASN A 39 7.786 54.532 64.432 1.00 25.21 H new ATOM 0 HB3 ASN A 39 7.342 54.357 62.746 1.00 25.21 H new ATOM 0 HD21 ASN A 39 10.356 52.229 63.442 1.00 10.33 H new ATOM 0 HD22 ASN A 39 8.714 52.346 64.083 1.00 10.33 H new ATOM 611 N LEU A 40 6.156 56.881 62.151 1.00 35.20 N ATOM 612 CA LEU A 40 5.297 57.298 61.048 1.00 62.33 C ATOM 613 C LEU A 40 5.367 58.809 60.844 1.00 14.34 C ATOM 614 O LEU A 40 5.262 59.297 59.720 1.00 52.03 O ATOM 615 CB LEU A 40 3.851 56.875 61.312 1.00 13.22 C ATOM 616 CG LEU A 40 3.651 55.810 62.392 1.00 24.34 C ATOM 617 CD1 LEU A 40 2.176 55.466 62.534 1.00 41.14 C ATOM 618 CD2 LEU A 40 4.461 54.563 62.068 1.00 62.55 C ATOM 0 H LEU A 40 5.670 56.756 63.039 1.00 35.20 H new ATOM 0 HA LEU A 40 5.652 56.810 60.140 1.00 62.33 H new ATOM 0 HB2 LEU A 40 3.280 57.760 61.592 1.00 13.22 H new ATOM 0 HB3 LEU A 40 3.426 56.503 60.380 1.00 13.22 H new ATOM 0 HG LEU A 40 4.004 56.212 63.342 1.00 24.34 H new ATOM 0 HD11 LEU A 40 2.052 54.707 63.306 1.00 41.14 H new ATOM 0 HD12 LEU A 40 1.619 56.361 62.812 1.00 41.14 H new ATOM 0 HD13 LEU A 40 1.799 55.083 61.586 1.00 41.14 H new ATOM 0 HD21 LEU A 40 4.307 53.816 62.847 1.00 62.55 H new ATOM 0 HD22 LEU A 40 4.138 54.159 61.109 1.00 62.55 H new ATOM 0 HD23 LEU A 40 5.519 54.820 62.016 1.00 62.55 H new ATOM 630 N GLU A 41 5.547 59.540 61.939 1.00 50.12 N ATOM 631 CA GLU A 41 5.633 60.995 61.879 1.00 21.23 C ATOM 632 C GLU A 41 6.589 61.438 60.776 1.00 71.15 C ATOM 633 O GLU A 41 6.342 62.428 60.086 1.00 4.21 O ATOM 634 CB GLU A 41 6.094 61.557 63.225 1.00 71.12 C ATOM 635 CG GLU A 41 5.416 62.862 63.605 1.00 20.42 C ATOM 636 CD GLU A 41 6.369 64.042 63.587 1.00 12.40 C ATOM 637 OE1 GLU A 41 7.042 64.244 62.555 1.00 63.22 O ATOM 638 OE2 GLU A 41 6.443 64.761 64.605 1.00 62.52 O ATOM 0 H GLU A 41 5.636 59.150 62.877 1.00 50.12 H new ATOM 0 HA GLU A 41 4.640 61.383 61.653 1.00 21.23 H new ATOM 0 HB2 GLU A 41 5.902 60.818 64.003 1.00 71.12 H new ATOM 0 HB3 GLU A 41 7.172 61.713 63.194 1.00 71.12 H new ATOM 0 HG2 GLU A 41 4.593 63.054 62.916 1.00 20.42 H new ATOM 0 HG3 GLU A 41 4.982 62.765 64.600 1.00 20.42 H new ATOM 645 N ASP A 42 7.682 60.700 60.616 1.00 63.24 N ATOM 646 CA ASP A 42 8.676 61.016 59.597 1.00 71.34 C ATOM 647 C ASP A 42 8.258 60.460 58.239 1.00 5.03 C ATOM 648 O ASP A 42 8.068 61.210 57.280 1.00 40.12 O ATOM 649 CB ASP A 42 10.042 60.453 59.994 1.00 33.40 C ATOM 650 CG ASP A 42 11.189 61.221 59.367 1.00 30.30 C ATOM 651 OD1 ASP A 42 11.272 62.447 59.588 1.00 53.43 O ATOM 652 OD2 ASP A 42 12.002 60.597 58.654 1.00 43.31 O ATOM 0 H ASP A 42 7.902 59.879 61.179 1.00 63.24 H new ATOM 0 HA ASP A 42 8.748 62.101 59.519 1.00 71.34 H new ATOM 0 HB2 ASP A 42 10.141 60.479 61.079 1.00 33.40 H new ATOM 0 HB3 ASP A 42 10.102 59.407 59.694 1.00 33.40 H new ATOM 657 N LEU A 43 8.117 59.141 58.164 1.00 31.01 N ATOM 658 CA LEU A 43 7.722 58.483 56.923 1.00 53.33 C ATOM 659 C LEU A 43 6.381 59.013 56.429 1.00 34.12 C ATOM 660 O LEU A 43 6.273 59.512 55.308 1.00 10.12 O ATOM 661 CB LEU A 43 7.641 56.970 57.129 1.00 24.44 C ATOM 662 CG LEU A 43 8.388 56.112 56.106 1.00 33.30 C ATOM 663 CD1 LEU A 43 9.889 56.205 56.326 1.00 73.32 C ATOM 664 CD2 LEU A 43 7.924 54.665 56.184 1.00 61.14 C ATOM 0 H LEU A 43 8.270 58.506 58.948 1.00 31.01 H new ATOM 0 HA LEU A 43 8.478 58.701 56.168 1.00 53.33 H new ATOM 0 HB2 LEU A 43 8.029 56.737 58.121 1.00 24.44 H new ATOM 0 HB3 LEU A 43 6.591 56.678 57.121 1.00 24.44 H new ATOM 0 HG LEU A 43 8.164 56.491 55.109 1.00 33.30 H new ATOM 0 HD11 LEU A 43 10.404 55.588 55.589 1.00 73.32 H new ATOM 0 HD12 LEU A 43 10.209 57.241 56.219 1.00 73.32 H new ATOM 0 HD13 LEU A 43 10.132 55.852 57.328 1.00 73.32 H new ATOM 0 HD21 LEU A 43 8.466 54.069 55.449 1.00 61.14 H new ATOM 0 HD22 LEU A 43 8.118 54.274 57.183 1.00 61.14 H new ATOM 0 HD23 LEU A 43 6.855 54.614 55.976 1.00 61.14 H new ATOM 676 N HIS A 44 5.359 58.904 57.273 1.00 0.23 N ATOM 677 CA HIS A 44 4.024 59.375 56.923 1.00 31.23 C ATOM 678 C HIS A 44 4.093 60.723 56.212 1.00 63.12 C ATOM 679 O HIS A 44 3.414 60.944 55.207 1.00 13.40 O ATOM 680 CB HIS A 44 3.156 59.490 58.175 1.00 53.42 C ATOM 681 CG HIS A 44 1.686 59.495 57.888 1.00 12.33 C ATOM 682 ND1 HIS A 44 0.748 58.978 58.756 1.00 32.42 N ATOM 683 CD2 HIS A 44 0.994 59.958 56.821 1.00 70.02 C ATOM 684 CE1 HIS A 44 -0.458 59.122 58.235 1.00 50.20 C ATOM 685 NE2 HIS A 44 -0.336 59.715 57.062 1.00 21.42 N ATOM 0 H HIS A 44 5.430 58.494 58.204 1.00 0.23 H new ATOM 0 HA HIS A 44 3.576 58.649 56.245 1.00 31.23 H new ATOM 0 HB2 HIS A 44 3.384 58.659 58.843 1.00 53.42 H new ATOM 0 HB3 HIS A 44 3.417 60.406 58.705 1.00 53.42 H new ATOM 0 HD2 HIS A 44 1.410 60.431 55.944 1.00 70.02 H new ATOM 0 HE1 HIS A 44 -1.385 58.808 58.691 1.00 50.20 H new ATOM 0 HE2 HIS A 44 -1.105 59.954 56.436 1.00 21.42 H new ATOM 693 N THR A 45 4.917 61.623 56.738 1.00 54.13 N ATOM 694 CA THR A 45 5.073 62.950 56.156 1.00 30.34 C ATOM 695 C THR A 45 5.279 62.868 54.647 1.00 4.21 C ATOM 696 O THR A 45 4.721 63.662 53.891 1.00 63.15 O ATOM 697 CB THR A 45 6.260 63.704 56.784 1.00 60.03 C ATOM 698 OG1 THR A 45 6.021 63.920 58.179 1.00 2.02 O ATOM 699 CG2 THR A 45 6.483 65.039 56.089 1.00 11.14 C ATOM 0 H THR A 45 5.487 61.457 57.567 1.00 54.13 H new ATOM 0 HA THR A 45 4.154 63.496 56.366 1.00 30.34 H new ATOM 0 HB THR A 45 7.155 63.094 56.660 1.00 60.03 H new ATOM 0 HG1 THR A 45 6.021 63.060 58.648 1.00 2.02 H new ATOM 0 HG21 THR A 45 7.326 65.553 56.550 1.00 11.14 H new ATOM 0 HG22 THR A 45 6.695 64.869 55.033 1.00 11.14 H new ATOM 0 HG23 THR A 45 5.588 65.653 56.185 1.00 11.14 H new ATOM 707 N ARG A 46 6.083 61.900 54.217 1.00 34.31 N ATOM 708 CA ARG A 46 6.362 61.715 52.798 1.00 20.12 C ATOM 709 C ARG A 46 5.336 60.784 52.159 1.00 13.11 C ATOM 710 O ARG A 46 4.524 61.209 51.338 1.00 24.52 O ATOM 711 CB ARG A 46 7.771 61.149 52.603 1.00 33.12 C ATOM 712 CG ARG A 46 8.785 62.184 52.147 1.00 74.05 C ATOM 713 CD ARG A 46 9.333 61.856 50.767 1.00 72.44 C ATOM 714 NE ARG A 46 9.856 63.041 50.091 1.00 60.22 N ATOM 715 CZ ARG A 46 10.743 62.991 49.103 1.00 41.42 C ATOM 716 NH1 ARG A 46 11.202 61.822 48.678 1.00 63.14 N ATOM 717 NH2 ARG A 46 11.171 64.112 48.537 1.00 43.21 N ATOM 0 H ARG A 46 6.552 61.233 54.830 1.00 34.31 H new ATOM 0 HA ARG A 46 6.298 62.688 52.311 1.00 20.12 H new ATOM 0 HB2 ARG A 46 8.110 60.710 53.541 1.00 33.12 H new ATOM 0 HB3 ARG A 46 7.732 60.344 51.870 1.00 33.12 H new ATOM 0 HG2 ARG A 46 8.319 63.169 52.130 1.00 74.05 H new ATOM 0 HG3 ARG A 46 9.605 62.232 52.863 1.00 74.05 H new ATOM 0 HD2 ARG A 46 10.124 61.112 50.858 1.00 72.44 H new ATOM 0 HD3 ARG A 46 8.545 61.410 50.160 1.00 72.44 H new ATOM 0 HE ARG A 46 9.522 63.956 50.394 1.00 60.22 H new ATOM 0 HH11 ARG A 46 10.874 60.958 49.110 1.00 63.14 H new ATOM 0 HH12 ARG A 46 11.883 61.787 47.919 1.00 63.14 H new ATOM 0 HH21 ARG A 46 10.819 65.013 48.860 1.00 43.21 H new ATOM 0 HH22 ARG A 46 11.852 64.073 47.779 1.00 43.21 H new ATOM 731 N ARG A 47 5.379 59.512 52.541 1.00 12.24 N ATOM 732 CA ARG A 47 4.454 58.520 52.005 1.00 61.23 C ATOM 733 C ARG A 47 3.753 57.766 53.130 1.00 52.32 C ATOM 734 O ARG A 47 4.387 57.145 53.984 1.00 4.05 O ATOM 735 CB ARG A 47 5.197 57.535 51.101 1.00 41.54 C ATOM 736 CG ARG A 47 4.296 56.485 50.474 1.00 45.02 C ATOM 737 CD ARG A 47 4.849 55.999 49.143 1.00 63.23 C ATOM 738 NE ARG A 47 4.850 57.054 48.133 1.00 75.12 N ATOM 739 CZ ARG A 47 3.792 57.359 47.388 1.00 41.44 C ATOM 740 NH1 ARG A 47 2.656 56.694 47.540 1.00 1.24 N ATOM 741 NH2 ARG A 47 3.872 58.333 46.491 1.00 24.22 N ATOM 0 H ARG A 47 6.045 59.144 53.220 1.00 12.24 H new ATOM 0 HA ARG A 47 3.700 59.043 51.418 1.00 61.23 H new ATOM 0 HB2 ARG A 47 5.700 58.090 50.309 1.00 41.54 H new ATOM 0 HB3 ARG A 47 5.973 57.036 51.682 1.00 41.54 H new ATOM 0 HG2 ARG A 47 4.190 55.641 51.155 1.00 45.02 H new ATOM 0 HG3 ARG A 47 3.300 56.901 50.325 1.00 45.02 H new ATOM 0 HD2 ARG A 47 5.866 55.632 49.285 1.00 63.23 H new ATOM 0 HD3 ARG A 47 4.253 55.158 48.788 1.00 63.23 H new ATOM 0 HE ARG A 47 5.709 57.586 47.992 1.00 75.12 H new ATOM 0 HH11 ARG A 47 2.592 55.946 48.230 1.00 1.24 H new ATOM 0 HH12 ARG A 47 1.846 56.930 46.967 1.00 1.24 H new ATOM 0 HH21 ARG A 47 4.745 58.847 46.373 1.00 24.22 H new ATOM 0 HH22 ARG A 47 3.061 58.568 45.919 1.00 24.22 H new ATOM 755 N PRO A 48 2.413 57.821 53.134 1.00 11.43 N ATOM 756 CA PRO A 48 1.596 57.148 54.149 1.00 62.12 C ATOM 757 C PRO A 48 1.632 55.630 54.009 1.00 62.30 C ATOM 758 O PRO A 48 1.907 54.915 54.972 1.00 3.05 O ATOM 759 CB PRO A 48 0.186 57.677 53.878 1.00 64.23 C ATOM 760 CG PRO A 48 0.196 58.062 52.438 1.00 54.33 C ATOM 761 CD PRO A 48 1.591 58.543 52.149 1.00 42.24 C ATOM 0 HA PRO A 48 1.954 57.349 55.159 1.00 62.12 H new ATOM 0 HB2 PRO A 48 -0.568 56.916 54.079 1.00 64.23 H new ATOM 0 HB3 PRO A 48 -0.046 58.531 54.515 1.00 64.23 H new ATOM 0 HG2 PRO A 48 -0.063 57.213 51.805 1.00 54.33 H new ATOM 0 HG3 PRO A 48 -0.536 58.844 52.238 1.00 54.33 H new ATOM 0 HD2 PRO A 48 1.892 58.311 51.127 1.00 42.24 H new ATOM 0 HD3 PRO A 48 1.676 59.623 52.269 1.00 42.24 H new ATOM 769 N ASP A 49 1.352 55.146 52.804 1.00 41.21 N ATOM 770 CA ASP A 49 1.353 53.712 52.538 1.00 65.11 C ATOM 771 C ASP A 49 2.568 53.042 53.172 1.00 43.11 C ATOM 772 O ASP A 49 2.526 51.863 53.523 1.00 60.33 O ATOM 773 CB ASP A 49 1.341 53.451 51.030 1.00 73.54 C ATOM 774 CG ASP A 49 1.063 52.000 50.695 1.00 32.03 C ATOM 775 OD1 ASP A 49 -0.001 51.490 51.106 1.00 62.52 O ATOM 776 OD2 ASP A 49 1.909 51.372 50.025 1.00 23.50 O ATOM 0 H ASP A 49 1.122 55.725 51.996 1.00 41.21 H new ATOM 0 HA ASP A 49 0.453 53.285 52.980 1.00 65.11 H new ATOM 0 HB2 ASP A 49 0.584 54.080 50.562 1.00 73.54 H new ATOM 0 HB3 ASP A 49 2.303 53.741 50.607 1.00 73.54 H new ATOM 781 N GLU A 50 3.649 53.802 53.315 1.00 60.13 N ATOM 782 CA GLU A 50 4.877 53.281 53.905 1.00 33.12 C ATOM 783 C GLU A 50 4.890 53.500 55.415 1.00 34.22 C ATOM 784 O GLU A 50 5.538 52.761 56.155 1.00 41.44 O ATOM 785 CB GLU A 50 6.098 53.950 53.271 1.00 22.13 C ATOM 786 CG GLU A 50 7.283 53.014 53.099 1.00 51.21 C ATOM 787 CD GLU A 50 8.472 53.692 52.445 1.00 20.21 C ATOM 788 OE1 GLU A 50 8.262 54.452 51.476 1.00 54.02 O ATOM 789 OE2 GLU A 50 9.611 53.461 52.901 1.00 30.21 O ATOM 0 H GLU A 50 3.700 54.780 53.031 1.00 60.13 H new ATOM 0 HA GLU A 50 4.917 52.209 53.710 1.00 33.12 H new ATOM 0 HB2 GLU A 50 5.818 54.351 52.297 1.00 22.13 H new ATOM 0 HB3 GLU A 50 6.400 54.796 53.889 1.00 22.13 H new ATOM 0 HG2 GLU A 50 7.581 52.628 54.074 1.00 51.21 H new ATOM 0 HG3 GLU A 50 6.981 52.158 52.496 1.00 51.21 H new ATOM 796 N PHE A 51 4.169 54.522 55.865 1.00 21.35 N ATOM 797 CA PHE A 51 4.098 54.841 57.285 1.00 55.51 C ATOM 798 C PHE A 51 3.853 53.583 58.114 1.00 35.13 C ATOM 799 O PHE A 51 4.391 53.432 59.211 1.00 1.31 O ATOM 800 CB PHE A 51 2.989 55.861 57.547 1.00 62.44 C ATOM 801 CG PHE A 51 1.742 55.257 58.127 1.00 63.21 C ATOM 802 CD1 PHE A 51 1.762 54.660 59.377 1.00 31.40 C ATOM 803 CD2 PHE A 51 0.550 55.286 57.421 1.00 24.52 C ATOM 804 CE1 PHE A 51 0.616 54.103 59.912 1.00 74.03 C ATOM 805 CE2 PHE A 51 -0.599 54.730 57.951 1.00 70.04 C ATOM 806 CZ PHE A 51 -0.566 54.137 59.199 1.00 64.53 C ATOM 0 H PHE A 51 3.626 55.143 55.266 1.00 21.35 H new ATOM 0 HA PHE A 51 5.055 55.271 57.582 1.00 55.51 H new ATOM 0 HB2 PHE A 51 3.363 56.625 58.228 1.00 62.44 H new ATOM 0 HB3 PHE A 51 2.739 56.362 56.612 1.00 62.44 H new ATOM 0 HD1 PHE A 51 2.683 54.630 59.940 1.00 31.40 H new ATOM 0 HD2 PHE A 51 0.518 55.748 56.445 1.00 24.52 H new ATOM 0 HE1 PHE A 51 0.645 53.641 60.888 1.00 74.03 H new ATOM 0 HE2 PHE A 51 -1.522 54.759 57.391 1.00 70.04 H new ATOM 0 HZ PHE A 51 -1.462 53.701 59.615 1.00 64.53 H new ATOM 816 N THR A 52 3.033 52.682 57.582 1.00 22.15 N ATOM 817 CA THR A 52 2.713 51.438 58.271 1.00 23.45 C ATOM 818 C THR A 52 3.827 50.412 58.100 1.00 70.31 C ATOM 819 O THR A 52 3.959 49.486 58.899 1.00 64.31 O ATOM 820 CB THR A 52 1.392 50.834 57.755 1.00 64.15 C ATOM 821 OG1 THR A 52 1.608 50.183 56.499 1.00 61.24 O ATOM 822 CG2 THR A 52 0.329 51.911 57.597 1.00 50.15 C ATOM 0 H THR A 52 2.578 52.791 56.676 1.00 22.15 H new ATOM 0 HA THR A 52 2.606 51.681 59.328 1.00 23.45 H new ATOM 0 HB THR A 52 1.042 50.105 58.486 1.00 64.15 H new ATOM 0 HG1 THR A 52 0.764 49.801 56.179 1.00 61.24 H new ATOM 0 HG21 THR A 52 -0.594 51.461 57.232 1.00 50.15 H new ATOM 0 HG22 THR A 52 0.145 52.385 58.561 1.00 50.15 H new ATOM 0 HG23 THR A 52 0.674 52.661 56.885 1.00 50.15 H new ATOM 830 N ALA A 53 4.628 50.584 57.053 1.00 52.14 N ATOM 831 CA ALA A 53 5.734 49.675 56.780 1.00 12.40 C ATOM 832 C ALA A 53 6.853 49.848 57.802 1.00 51.12 C ATOM 833 O ALA A 53 7.693 48.965 57.972 1.00 22.10 O ATOM 834 CB ALA A 53 6.265 49.898 55.371 1.00 1.32 C ATOM 0 H ALA A 53 4.531 51.345 56.380 1.00 52.14 H new ATOM 0 HA ALA A 53 5.360 48.654 56.859 1.00 12.40 H new ATOM 0 HB1 ALA A 53 7.091 49.212 55.181 1.00 1.32 H new ATOM 0 HB2 ALA A 53 5.469 49.716 54.649 1.00 1.32 H new ATOM 0 HB3 ALA A 53 6.616 50.925 55.273 1.00 1.32 H new ATOM 840 N ARG A 54 6.858 50.992 58.479 1.00 14.32 N ATOM 841 CA ARG A 54 7.874 51.280 59.484 1.00 33.50 C ATOM 842 C ARG A 54 7.703 50.381 60.705 1.00 61.23 C ATOM 843 O ARG A 54 8.552 49.534 60.989 1.00 60.32 O ATOM 844 CB ARG A 54 7.803 52.750 59.905 1.00 31.25 C ATOM 845 CG ARG A 54 9.145 53.332 60.317 1.00 25.42 C ATOM 846 CD ARG A 54 10.050 53.550 59.113 1.00 1.40 C ATOM 847 NE ARG A 54 11.348 52.903 59.281 1.00 53.21 N ATOM 848 CZ ARG A 54 12.253 52.808 58.313 1.00 0.14 C ATOM 849 NH1 ARG A 54 12.001 53.315 57.114 1.00 14.22 N ATOM 850 NH2 ARG A 54 13.412 52.204 58.544 1.00 21.51 N ATOM 0 H ARG A 54 6.170 51.734 58.350 1.00 14.32 H new ATOM 0 HA ARG A 54 8.851 51.082 59.043 1.00 33.50 H new ATOM 0 HB2 ARG A 54 7.401 53.336 59.079 1.00 31.25 H new ATOM 0 HB3 ARG A 54 7.104 52.848 60.736 1.00 31.25 H new ATOM 0 HG2 ARG A 54 8.989 54.279 60.833 1.00 25.42 H new ATOM 0 HG3 ARG A 54 9.633 52.661 61.024 1.00 25.42 H new ATOM 0 HD2 ARG A 54 9.564 53.161 58.219 1.00 1.40 H new ATOM 0 HD3 ARG A 54 10.195 54.619 58.957 1.00 1.40 H new ATOM 0 HE ARG A 54 11.572 52.502 60.192 1.00 53.21 H new ATOM 0 HH11 ARG A 54 11.111 53.779 56.933 1.00 14.22 H new ATOM 0 HH12 ARG A 54 12.697 53.241 56.372 1.00 14.22 H new ATOM 0 HH21 ARG A 54 13.608 51.812 59.465 1.00 21.51 H new ATOM 0 HH22 ARG A 54 14.106 52.131 57.800 1.00 21.51 H new ATOM 864 N LEU A 55 6.603 50.572 61.423 1.00 13.33 N ATOM 865 CA LEU A 55 6.321 49.778 62.615 1.00 24.51 C ATOM 866 C LEU A 55 5.894 48.363 62.238 1.00 2.31 C ATOM 867 O LEU A 55 5.950 47.449 63.060 1.00 63.03 O ATOM 868 CB LEU A 55 5.228 50.448 63.451 1.00 22.35 C ATOM 869 CG LEU A 55 3.809 50.369 62.886 1.00 0.43 C ATOM 870 CD1 LEU A 55 3.749 50.996 61.502 1.00 21.11 C ATOM 871 CD2 LEU A 55 3.333 48.924 62.840 1.00 24.23 C ATOM 0 H LEU A 55 5.892 51.269 61.202 1.00 13.33 H new ATOM 0 HA LEU A 55 7.235 49.716 63.206 1.00 24.51 H new ATOM 0 HB2 LEU A 55 5.229 49.996 64.443 1.00 22.35 H new ATOM 0 HB3 LEU A 55 5.489 51.499 63.579 1.00 22.35 H new ATOM 0 HG LEU A 55 3.145 50.929 63.545 1.00 0.43 H new ATOM 0 HD11 LEU A 55 2.732 50.930 61.117 1.00 21.11 H new ATOM 0 HD12 LEU A 55 4.047 52.043 61.564 1.00 21.11 H new ATOM 0 HD13 LEU A 55 4.426 50.465 60.832 1.00 21.11 H new ATOM 0 HD21 LEU A 55 2.322 48.887 62.435 1.00 24.23 H new ATOM 0 HD22 LEU A 55 4.000 48.341 62.204 1.00 24.23 H new ATOM 0 HD23 LEU A 55 3.336 48.508 63.847 1.00 24.23 H new ATOM 883 N GLN A 56 5.470 48.190 60.991 1.00 71.52 N ATOM 884 CA GLN A 56 5.035 46.887 60.505 1.00 4.42 C ATOM 885 C GLN A 56 6.138 45.847 60.676 1.00 23.13 C ATOM 886 O GLN A 56 5.865 44.676 60.939 1.00 50.10 O ATOM 887 CB GLN A 56 4.626 46.976 59.034 1.00 71.10 C ATOM 888 CG GLN A 56 4.697 45.647 58.300 1.00 54.41 C ATOM 889 CD GLN A 56 3.469 45.382 57.452 1.00 61.32 C ATOM 890 OE1 GLN A 56 3.518 45.467 56.224 1.00 45.32 O ATOM 891 NE2 GLN A 56 2.358 45.059 58.103 1.00 31.32 N ATOM 0 H GLN A 56 5.418 48.937 60.298 1.00 71.52 H new ATOM 0 HA GLN A 56 4.173 46.577 61.095 1.00 4.42 H new ATOM 0 HB2 GLN A 56 3.609 47.362 58.971 1.00 71.10 H new ATOM 0 HB3 GLN A 56 5.271 47.695 58.529 1.00 71.10 H new ATOM 0 HG2 GLN A 56 5.582 45.634 57.664 1.00 54.41 H new ATOM 0 HG3 GLN A 56 4.814 44.842 59.025 1.00 54.41 H new ATOM 0 HE21 GLN A 56 2.362 45.000 59.121 1.00 31.32 H new ATOM 0 HE22 GLN A 56 1.500 44.870 57.585 1.00 31.32 H new ATOM 900 N GLN A 57 7.384 46.284 60.525 1.00 65.11 N ATOM 901 CA GLN A 57 8.528 45.390 60.661 1.00 42.24 C ATOM 902 C GLN A 57 8.738 44.992 62.118 1.00 55.10 C ATOM 903 O GLN A 57 9.142 43.867 62.413 1.00 72.12 O ATOM 904 CB GLN A 57 9.792 46.057 60.115 1.00 31.43 C ATOM 905 CG GLN A 57 10.024 45.801 58.634 1.00 41.54 C ATOM 906 CD GLN A 57 11.122 46.672 58.056 1.00 54.21 C ATOM 907 OE1 GLN A 57 11.824 47.371 58.787 1.00 45.25 O ATOM 908 NE2 GLN A 57 11.274 46.635 56.738 1.00 62.24 N ATOM 0 H GLN A 57 7.627 47.251 60.309 1.00 65.11 H new ATOM 0 HA GLN A 57 8.323 44.489 60.083 1.00 42.24 H new ATOM 0 HB2 GLN A 57 9.727 47.132 60.284 1.00 31.43 H new ATOM 0 HB3 GLN A 57 10.654 45.698 60.677 1.00 31.43 H new ATOM 0 HG2 GLN A 57 10.282 44.752 58.487 1.00 41.54 H new ATOM 0 HG3 GLN A 57 9.098 45.981 58.089 1.00 41.54 H new ATOM 0 HE21 GLN A 57 10.669 46.041 56.171 1.00 62.24 H new ATOM 0 HE22 GLN A 57 11.996 47.201 56.292 1.00 62.24 H new ATOM 917 N SER A 58 8.461 45.923 63.025 1.00 52.25 N ATOM 918 CA SER A 58 8.623 45.671 64.453 1.00 51.14 C ATOM 919 C SER A 58 7.425 44.911 65.010 1.00 32.25 C ATOM 920 O SER A 58 7.561 43.795 65.513 1.00 20.23 O ATOM 921 CB SER A 58 8.801 46.991 65.208 1.00 5.40 C ATOM 922 OG SER A 58 10.073 47.560 64.949 1.00 21.41 O ATOM 0 H SER A 58 8.124 46.858 62.797 1.00 52.25 H new ATOM 0 HA SER A 58 9.514 45.059 64.590 1.00 51.14 H new ATOM 0 HB2 SER A 58 8.019 47.691 64.912 1.00 5.40 H new ATOM 0 HB3 SER A 58 8.687 46.819 66.278 1.00 5.40 H new ATOM 0 HG SER A 58 10.161 48.403 65.441 1.00 21.41 H new ATOM 928 N THR A 59 6.248 45.523 64.917 1.00 2.15 N ATOM 929 CA THR A 59 5.024 44.905 65.412 1.00 52.42 C ATOM 930 C THR A 59 4.897 43.468 64.923 1.00 21.24 C ATOM 931 O THR A 59 4.188 42.658 65.523 1.00 64.23 O ATOM 932 CB THR A 59 3.778 45.698 64.973 1.00 11.34 C ATOM 933 OG1 THR A 59 2.679 45.402 65.842 1.00 52.40 O ATOM 934 CG2 THR A 59 3.401 45.362 63.538 1.00 71.34 C ATOM 0 H THR A 59 6.117 46.446 64.503 1.00 2.15 H new ATOM 0 HA THR A 59 5.084 44.911 66.500 1.00 52.42 H new ATOM 0 HB THR A 59 4.011 46.761 65.031 1.00 11.34 H new ATOM 0 HG1 THR A 59 2.746 45.949 66.652 1.00 52.40 H new ATOM 0 HG21 THR A 59 2.519 45.934 63.250 1.00 71.34 H new ATOM 0 HG22 THR A 59 4.229 45.615 62.876 1.00 71.34 H new ATOM 0 HG23 THR A 59 3.185 44.297 63.459 1.00 71.34 H new ATOM 942 N ASP A 60 5.586 43.156 63.831 1.00 43.30 N ATOM 943 CA ASP A 60 5.552 41.813 63.262 1.00 32.12 C ATOM 944 C ASP A 60 5.805 40.761 64.337 1.00 12.02 C ATOM 945 O ASP A 60 5.063 39.786 64.451 1.00 21.23 O ATOM 946 CB ASP A 60 6.591 41.682 62.148 1.00 3.32 C ATOM 947 CG ASP A 60 5.963 41.364 60.805 1.00 61.13 C ATOM 948 OD1 ASP A 60 4.862 41.884 60.528 1.00 63.14 O ATOM 949 OD2 ASP A 60 6.572 40.594 60.033 1.00 62.51 O ATOM 0 H ASP A 60 6.175 43.815 63.322 1.00 43.30 H new ATOM 0 HA ASP A 60 4.559 41.647 62.844 1.00 32.12 H new ATOM 0 HB2 ASP A 60 7.156 42.611 62.071 1.00 3.32 H new ATOM 0 HB3 ASP A 60 7.302 40.898 62.408 1.00 3.32 H new ATOM 954 N ALA A 61 6.857 40.965 65.122 1.00 0.53 N ATOM 955 CA ALA A 61 7.207 40.034 66.188 1.00 72.41 C ATOM 956 C ALA A 61 6.029 39.811 67.131 1.00 23.22 C ATOM 957 O ALA A 61 5.793 38.694 67.592 1.00 50.43 O ATOM 958 CB ALA A 61 8.414 40.546 66.961 1.00 3.31 C ATOM 0 H ALA A 61 7.482 41.767 65.040 1.00 0.53 H new ATOM 0 HA ALA A 61 7.460 39.077 65.732 1.00 72.41 H new ATOM 0 HB1 ALA A 61 8.664 39.841 67.754 1.00 3.31 H new ATOM 0 HB2 ALA A 61 9.263 40.648 66.285 1.00 3.31 H new ATOM 0 HB3 ALA A 61 8.181 41.517 67.399 1.00 3.31 H new ATOM 964 N LEU A 62 5.293 40.880 67.413 1.00 72.22 N ATOM 965 CA LEU A 62 4.138 40.802 68.302 1.00 2.43 C ATOM 966 C LEU A 62 3.043 39.929 67.696 1.00 52.35 C ATOM 967 O LEU A 62 2.497 39.049 68.362 1.00 61.03 O ATOM 968 CB LEU A 62 3.592 42.201 68.586 1.00 74.35 C ATOM 969 CG LEU A 62 3.060 42.439 69.999 1.00 33.32 C ATOM 970 CD1 LEU A 62 4.179 42.317 71.020 1.00 12.50 C ATOM 971 CD2 LEU A 62 2.395 43.806 70.096 1.00 22.15 C ATOM 0 H LEU A 62 5.475 41.811 67.039 1.00 72.22 H new ATOM 0 HA LEU A 62 4.462 40.349 69.239 1.00 2.43 H new ATOM 0 HB2 LEU A 62 4.383 42.925 68.390 1.00 74.35 H new ATOM 0 HB3 LEU A 62 2.790 42.407 67.878 1.00 74.35 H new ATOM 0 HG LEU A 62 2.313 41.676 70.217 1.00 33.32 H new ATOM 0 HD11 LEU A 62 3.780 42.490 72.020 1.00 12.50 H new ATOM 0 HD12 LEU A 62 4.610 41.317 70.969 1.00 12.50 H new ATOM 0 HD13 LEU A 62 4.950 43.056 70.804 1.00 12.50 H new ATOM 0 HD21 LEU A 62 2.022 43.958 71.109 1.00 22.15 H new ATOM 0 HD22 LEU A 62 3.122 44.582 69.856 1.00 22.15 H new ATOM 0 HD23 LEU A 62 1.564 43.857 69.392 1.00 22.15 H new ATOM 983 N TYR A 63 2.728 40.178 66.430 1.00 43.13 N ATOM 984 CA TYR A 63 1.699 39.417 65.734 1.00 5.53 C ATOM 985 C TYR A 63 1.939 37.917 65.879 1.00 3.25 C ATOM 986 O TYR A 63 1.024 37.158 66.198 1.00 55.34 O ATOM 987 CB TYR A 63 1.665 39.797 64.253 1.00 41.14 C ATOM 988 CG TYR A 63 1.809 38.616 63.320 1.00 51.23 C ATOM 989 CD1 TYR A 63 0.825 37.638 63.249 1.00 74.24 C ATOM 990 CD2 TYR A 63 2.929 38.480 62.509 1.00 12.51 C ATOM 991 CE1 TYR A 63 0.953 36.558 62.398 1.00 1.11 C ATOM 992 CE2 TYR A 63 3.065 37.402 61.655 1.00 72.41 C ATOM 993 CZ TYR A 63 2.074 36.444 61.603 1.00 2.24 C ATOM 994 OH TYR A 63 2.204 35.369 60.753 1.00 53.23 O ATOM 0 H TYR A 63 3.171 40.902 65.865 1.00 43.13 H new ATOM 0 HA TYR A 63 0.737 39.659 66.186 1.00 5.53 H new ATOM 0 HB2 TYR A 63 0.725 40.306 64.039 1.00 41.14 H new ATOM 0 HB3 TYR A 63 2.466 40.508 64.051 1.00 41.14 H new ATOM 0 HD1 TYR A 63 -0.055 37.724 63.870 1.00 74.24 H new ATOM 0 HD2 TYR A 63 3.706 39.229 62.547 1.00 12.51 H new ATOM 0 HE1 TYR A 63 0.179 35.806 62.355 1.00 1.11 H new ATOM 0 HE2 TYR A 63 3.942 37.310 61.032 1.00 72.41 H new ATOM 0 HH TYR A 63 3.050 35.440 60.263 1.00 53.23 H new ATOM 1004 N SER A 64 3.177 37.497 65.641 1.00 51.42 N ATOM 1005 CA SER A 64 3.540 36.088 65.742 1.00 12.10 C ATOM 1006 C SER A 64 3.778 35.690 67.196 1.00 74.04 C ATOM 1007 O SER A 64 3.543 34.547 67.586 1.00 14.43 O ATOM 1008 CB SER A 64 4.791 35.800 64.912 1.00 44.03 C ATOM 1009 OG SER A 64 4.514 34.874 63.875 1.00 41.53 O ATOM 0 H SER A 64 3.946 38.112 65.377 1.00 51.42 H new ATOM 0 HA SER A 64 2.711 35.497 65.353 1.00 12.10 H new ATOM 0 HB2 SER A 64 5.168 36.728 64.483 1.00 44.03 H new ATOM 0 HB3 SER A 64 5.576 35.404 65.557 1.00 44.03 H new ATOM 0 HG SER A 64 3.877 35.270 63.245 1.00 41.53 H new ATOM 1015 N HIS A 65 4.248 36.644 67.994 1.00 55.02 N ATOM 1016 CA HIS A 65 4.519 36.396 69.406 1.00 72.10 C ATOM 1017 C HIS A 65 3.252 35.952 70.132 1.00 44.13 C ATOM 1018 O HIS A 65 3.236 34.917 70.799 1.00 51.53 O ATOM 1019 CB HIS A 65 5.086 37.652 70.067 1.00 30.50 C ATOM 1020 CG HIS A 65 5.265 37.521 71.548 1.00 21.32 C ATOM 1021 ND1 HIS A 65 5.122 38.579 72.420 1.00 73.11 N ATOM 1022 CD2 HIS A 65 5.574 36.447 72.311 1.00 5.31 C ATOM 1023 CE1 HIS A 65 5.338 38.162 73.655 1.00 71.51 C ATOM 1024 NE2 HIS A 65 5.614 36.872 73.615 1.00 15.43 N ATOM 0 H HIS A 65 4.449 37.596 67.687 1.00 55.02 H new ATOM 0 HA HIS A 65 5.256 35.595 69.474 1.00 72.10 H new ATOM 0 HB2 HIS A 65 6.048 37.889 69.613 1.00 30.50 H new ATOM 0 HB3 HIS A 65 4.422 38.492 69.863 1.00 30.50 H new ATOM 0 HD2 HIS A 65 5.755 35.442 71.959 1.00 5.31 H new ATOM 0 HE1 HIS A 65 5.296 38.772 74.545 1.00 71.51 H new ATOM 0 HE2 HIS A 65 5.823 36.286 74.423 1.00 15.43 H new ATOM 1032 N LEU A 66 2.192 36.742 69.998 1.00 50.52 N ATOM 1033 CA LEU A 66 0.920 36.431 70.642 1.00 10.22 C ATOM 1034 C LEU A 66 0.226 35.266 69.943 1.00 52.33 C ATOM 1035 O LEU A 66 -0.186 34.301 70.587 1.00 64.43 O ATOM 1036 CB LEU A 66 0.009 37.660 70.636 1.00 41.14 C ATOM 1037 CG LEU A 66 -1.290 37.536 71.433 1.00 25.52 C ATOM 1038 CD1 LEU A 66 -1.188 38.305 72.741 1.00 14.24 C ATOM 1039 CD2 LEU A 66 -2.470 38.032 70.610 1.00 73.34 C ATOM 0 H LEU A 66 2.188 37.602 69.450 1.00 50.52 H new ATOM 0 HA LEU A 66 1.124 36.142 71.673 1.00 10.22 H new ATOM 0 HB2 LEU A 66 0.572 38.507 71.027 1.00 41.14 H new ATOM 0 HB3 LEU A 66 -0.244 37.895 69.602 1.00 41.14 H new ATOM 0 HG LEU A 66 -1.453 36.484 71.666 1.00 25.52 H new ATOM 0 HD11 LEU A 66 -2.121 38.206 73.295 1.00 14.24 H new ATOM 0 HD12 LEU A 66 -0.368 37.903 73.336 1.00 14.24 H new ATOM 0 HD13 LEU A 66 -1.001 39.358 72.530 1.00 14.24 H new ATOM 0 HD21 LEU A 66 -3.386 37.936 71.193 1.00 73.34 H new ATOM 0 HD22 LEU A 66 -2.315 39.078 70.346 1.00 73.34 H new ATOM 0 HD23 LEU A 66 -2.555 37.437 69.701 1.00 73.34 H new ATOM 1051 N GLU A 67 0.103 35.363 68.624 1.00 64.24 N ATOM 1052 CA GLU A 67 -0.540 34.316 67.838 1.00 42.11 C ATOM 1053 C GLU A 67 0.137 32.968 68.071 1.00 2.31 C ATOM 1054 O GLU A 67 -0.522 31.930 68.117 1.00 54.32 O ATOM 1055 CB GLU A 67 -0.501 34.668 66.349 1.00 4.43 C ATOM 1056 CG GLU A 67 -1.506 33.892 65.514 1.00 72.10 C ATOM 1057 CD GLU A 67 -1.005 32.513 65.132 1.00 31.31 C ATOM 1058 OE1 GLU A 67 -0.151 32.423 64.225 1.00 24.01 O ATOM 1059 OE2 GLU A 67 -1.467 31.523 65.738 1.00 72.14 O ATOM 0 H GLU A 67 0.440 36.155 68.077 1.00 64.24 H new ATOM 0 HA GLU A 67 -1.579 34.242 68.159 1.00 42.11 H new ATOM 0 HB2 GLU A 67 -0.690 35.735 66.231 1.00 4.43 H new ATOM 0 HB3 GLU A 67 0.501 34.478 65.965 1.00 4.43 H new ATOM 0 HG2 GLU A 67 -2.438 33.795 66.071 1.00 72.10 H new ATOM 0 HG3 GLU A 67 -1.733 34.456 64.609 1.00 72.10 H new ATOM 1066 N ALA A 68 1.458 32.993 68.215 1.00 12.10 N ATOM 1067 CA ALA A 68 2.224 31.775 68.444 1.00 44.34 C ATOM 1068 C ALA A 68 2.233 31.401 69.923 1.00 44.12 C ATOM 1069 O ALA A 68 1.855 30.290 70.292 1.00 53.32 O ATOM 1070 CB ALA A 68 3.648 31.942 67.932 1.00 71.10 C ATOM 0 H ALA A 68 2.020 33.844 68.177 1.00 12.10 H new ATOM 0 HA ALA A 68 1.744 30.966 67.894 1.00 44.34 H new ATOM 0 HB1 ALA A 68 4.209 31.024 68.110 1.00 71.10 H new ATOM 0 HB2 ALA A 68 3.628 32.154 66.863 1.00 71.10 H new ATOM 0 HB3 ALA A 68 4.129 32.768 68.456 1.00 71.10 H new ATOM 1076 N GLN A 69 2.668 32.336 70.762 1.00 40.03 N ATOM 1077 CA GLN A 69 2.726 32.103 72.200 1.00 44.30 C ATOM 1078 C GLN A 69 1.329 31.895 72.775 1.00 42.53 C ATOM 1079 O GLN A 69 1.056 30.880 73.414 1.00 12.11 O ATOM 1080 CB GLN A 69 3.410 33.278 72.900 1.00 52.32 C ATOM 1081 CG GLN A 69 3.965 32.929 74.272 1.00 70.04 C ATOM 1082 CD GLN A 69 2.960 32.196 75.140 1.00 65.12 C ATOM 1083 OE1 GLN A 69 2.882 30.967 75.115 1.00 14.11 O ATOM 1084 NE2 GLN A 69 2.185 32.948 75.912 1.00 41.44 N ATOM 0 H GLN A 69 2.985 33.261 70.471 1.00 40.03 H new ATOM 0 HA GLN A 69 3.308 31.198 72.373 1.00 44.30 H new ATOM 0 HB2 GLN A 69 4.222 33.642 72.271 1.00 52.32 H new ATOM 0 HB3 GLN A 69 2.695 34.095 73.003 1.00 52.32 H new ATOM 0 HG2 GLN A 69 4.855 32.311 74.153 1.00 70.04 H new ATOM 0 HG3 GLN A 69 4.277 33.843 74.777 1.00 70.04 H new ATOM 0 HE21 GLN A 69 2.285 33.963 75.900 1.00 41.44 H new ATOM 0 HE22 GLN A 69 1.490 32.511 76.517 1.00 41.44 H new ATOM 1093 N TRP A 70 0.450 32.864 72.543 1.00 2.32 N ATOM 1094 CA TRP A 70 -0.919 32.786 73.040 1.00 22.53 C ATOM 1095 C TRP A 70 -1.643 31.577 72.457 1.00 64.13 C ATOM 1096 O TRP A 70 -2.557 31.033 73.074 1.00 31.44 O ATOM 1097 CB TRP A 70 -1.681 34.067 72.694 1.00 5.03 C ATOM 1098 CG TRP A 70 -2.843 34.330 73.603 1.00 33.12 C ATOM 1099 CD1 TRP A 70 -2.833 35.061 74.756 1.00 53.43 C ATOM 1100 CD2 TRP A 70 -4.186 33.862 73.434 1.00 75.52 C ATOM 1101 NE1 TRP A 70 -4.088 35.076 75.316 1.00 24.42 N ATOM 1102 CE2 TRP A 70 -4.936 34.348 74.523 1.00 72.31 C ATOM 1103 CE3 TRP A 70 -4.828 33.082 72.469 1.00 73.40 C ATOM 1104 CZ2 TRP A 70 -6.294 34.079 74.671 1.00 4.35 C ATOM 1105 CZ3 TRP A 70 -6.176 32.815 72.617 1.00 4.01 C ATOM 1106 CH2 TRP A 70 -6.898 33.312 73.711 1.00 1.40 C ATOM 0 H TRP A 70 0.660 33.711 72.015 1.00 2.32 H new ATOM 0 HA TRP A 70 -0.880 32.674 74.124 1.00 22.53 H new ATOM 0 HB2 TRP A 70 -0.995 34.913 72.739 1.00 5.03 H new ATOM 0 HB3 TRP A 70 -2.040 34.002 71.667 1.00 5.03 H new ATOM 0 HD1 TRP A 70 -1.966 35.555 75.168 1.00 53.43 H new ATOM 0 HE1 TRP A 70 -4.346 35.551 76.181 1.00 24.42 H new ATOM 0 HE3 TRP A 70 -4.281 32.695 71.622 1.00 73.40 H new ATOM 0 HZ2 TRP A 70 -6.851 34.462 75.513 1.00 4.35 H new ATOM 0 HZ3 TRP A 70 -6.682 32.213 71.877 1.00 4.01 H new ATOM 0 HH2 TRP A 70 -7.950 33.086 73.798 1.00 1.40 H new ATOM 1117 N ALA A 71 -1.225 31.161 71.265 1.00 50.04 N ATOM 1118 CA ALA A 71 -1.832 30.014 70.601 1.00 52.13 C ATOM 1119 C ALA A 71 -1.978 28.838 71.561 1.00 21.15 C ATOM 1120 O ALA A 71 -2.961 28.099 71.507 1.00 11.03 O ATOM 1121 CB ALA A 71 -1.007 29.609 69.388 1.00 30.33 C ATOM 0 H ALA A 71 -0.469 31.601 70.740 1.00 50.04 H new ATOM 0 HA ALA A 71 -2.829 30.303 70.268 1.00 52.13 H new ATOM 0 HB1 ALA A 71 -1.472 28.751 68.902 1.00 30.33 H new ATOM 0 HB2 ALA A 71 -0.959 30.442 68.686 1.00 30.33 H new ATOM 0 HB3 ALA A 71 0.001 29.343 69.706 1.00 30.33 H new ATOM 1127 N LYS A 72 -0.993 28.670 72.437 1.00 22.32 N ATOM 1128 CA LYS A 72 -1.012 27.583 73.409 1.00 51.34 C ATOM 1129 C LYS A 72 -2.394 27.440 74.039 1.00 2.21 C ATOM 1130 O LYS A 72 -2.749 26.374 74.541 1.00 61.31 O ATOM 1131 CB LYS A 72 0.034 27.829 74.499 1.00 72.14 C ATOM 1132 CG LYS A 72 1.100 26.751 74.574 1.00 5.03 C ATOM 1133 CD LYS A 72 2.097 26.872 73.434 1.00 73.40 C ATOM 1134 CE LYS A 72 3.120 27.965 73.702 1.00 63.32 C ATOM 1135 NZ LYS A 72 4.459 27.621 73.148 1.00 33.35 N ATOM 0 H LYS A 72 -0.172 29.272 72.494 1.00 22.32 H new ATOM 0 HA LYS A 72 -0.773 26.657 72.886 1.00 51.34 H new ATOM 0 HB2 LYS A 72 0.514 28.791 74.319 1.00 72.14 H new ATOM 0 HB3 LYS A 72 -0.469 27.899 75.464 1.00 72.14 H new ATOM 0 HG2 LYS A 72 1.625 26.823 75.527 1.00 5.03 H new ATOM 0 HG3 LYS A 72 0.628 25.769 74.543 1.00 5.03 H new ATOM 0 HD2 LYS A 72 2.609 25.920 73.294 1.00 73.40 H new ATOM 0 HD3 LYS A 72 1.567 27.088 72.507 1.00 73.40 H new ATOM 0 HE2 LYS A 72 2.775 28.901 73.262 1.00 63.32 H new ATOM 0 HE3 LYS A 72 3.203 28.129 74.776 1.00 63.32 H new ATOM 0 HZ1 LYS A 72 5.127 28.391 73.352 1.00 33.35 H new ATOM 0 HZ2 LYS A 72 4.800 26.742 73.586 1.00 33.35 H new ATOM 0 HZ3 LYS A 72 4.386 27.490 72.119 1.00 33.35 H new ATOM 1149 N GLN A 73 -3.169 28.520 74.007 1.00 40.10 N ATOM 1150 CA GLN A 73 -4.511 28.512 74.575 1.00 22.55 C ATOM 1151 C GLN A 73 -5.424 27.565 73.802 1.00 42.51 C ATOM 1152 O GLN A 73 -5.978 26.621 74.368 1.00 60.51 O ATOM 1153 CB GLN A 73 -5.100 29.924 74.566 1.00 63.10 C ATOM 1154 CG GLN A 73 -4.781 30.723 75.819 1.00 62.45 C ATOM 1155 CD GLN A 73 -5.814 30.533 76.912 1.00 60.23 C ATOM 1156 OE1 GLN A 73 -6.777 29.784 76.748 1.00 44.04 O ATOM 1157 NE2 GLN A 73 -5.619 31.212 78.036 1.00 43.43 N ATOM 0 H GLN A 73 -2.890 29.410 73.594 1.00 40.10 H new ATOM 0 HA GLN A 73 -4.440 28.161 75.604 1.00 22.55 H new ATOM 0 HB2 GLN A 73 -4.722 30.461 73.696 1.00 63.10 H new ATOM 0 HB3 GLN A 73 -6.182 29.857 74.453 1.00 63.10 H new ATOM 0 HG2 GLN A 73 -3.802 30.427 76.195 1.00 62.45 H new ATOM 0 HG3 GLN A 73 -4.718 31.781 75.564 1.00 62.45 H new ATOM 0 HE21 GLN A 73 -4.807 31.822 78.129 1.00 43.43 H new ATOM 0 HE22 GLN A 73 -6.281 31.124 78.807 1.00 43.43 H new ATOM 1166 N HIS A 74 -5.575 27.822 72.507 1.00 43.10 N ATOM 1167 CA HIS A 74 -6.420 26.991 71.656 1.00 22.00 C ATOM 1168 C HIS A 74 -5.677 26.577 70.389 1.00 51.12 C ATOM 1169 O HIS A 74 -5.613 25.396 70.053 1.00 23.45 O ATOM 1170 CB HIS A 74 -7.702 27.739 71.288 1.00 12.03 C ATOM 1171 CG HIS A 74 -8.742 27.712 72.366 1.00 2.32 C ATOM 1172 ND1 HIS A 74 -8.667 28.487 73.504 1.00 62.23 N ATOM 1173 CD2 HIS A 74 -9.886 26.996 72.475 1.00 35.41 C ATOM 1174 CE1 HIS A 74 -9.719 28.249 74.266 1.00 74.32 C ATOM 1175 NE2 HIS A 74 -10.475 27.349 73.664 1.00 72.21 N ATOM 0 H HIS A 74 -5.124 28.599 72.024 1.00 43.10 H new ATOM 0 HA HIS A 74 -6.680 26.091 72.213 1.00 22.00 H new ATOM 0 HB2 HIS A 74 -7.455 28.776 71.059 1.00 12.03 H new ATOM 0 HB3 HIS A 74 -8.120 27.303 70.381 1.00 12.03 H new ATOM 0 HD2 HIS A 74 -10.265 26.281 71.760 1.00 35.41 H new ATOM 0 HE1 HIS A 74 -9.926 28.712 75.220 1.00 74.32 H new ATOM 0 HE2 HIS A 74 -11.354 26.977 74.024 1.00 72.21 H new ATOM 1183 N GLY A 75 -5.116 27.560 69.691 1.00 51.04 N ATOM 1184 CA GLY A 75 -4.385 27.278 68.469 1.00 35.30 C ATOM 1185 C GLY A 75 -5.257 27.393 67.234 1.00 70.24 C ATOM 1186 O GLY A 75 -4.761 27.650 66.136 1.00 2.14 O ATOM 0 H GLY A 75 -5.155 28.546 69.950 1.00 51.04 H new ATOM 0 HA2 GLY A 75 -3.546 27.968 68.383 1.00 35.30 H new ATOM 0 HA3 GLY A 75 -3.967 26.273 68.523 1.00 35.30 H new ATOM 1190 N THR A 76 -6.561 27.201 67.410 1.00 44.41 N ATOM 1191 CA THR A 76 -7.502 27.281 66.301 1.00 73.24 C ATOM 1192 C THR A 76 -7.995 28.710 66.101 1.00 32.23 C ATOM 1193 O THR A 76 -7.993 29.243 64.992 1.00 64.44 O ATOM 1194 CB THR A 76 -8.714 26.358 66.525 1.00 31.21 C ATOM 1195 OG1 THR A 76 -9.923 27.128 66.527 1.00 3.40 O ATOM 1196 CG2 THR A 76 -8.585 25.605 67.841 1.00 74.10 C ATOM 0 H THR A 76 -6.989 26.989 68.311 1.00 44.41 H new ATOM 0 HA THR A 76 -6.968 26.956 65.408 1.00 73.24 H new ATOM 0 HB THR A 76 -8.746 25.633 65.711 1.00 31.21 H new ATOM 0 HG1 THR A 76 -10.689 26.534 66.668 1.00 3.40 H new ATOM 0 HG21 THR A 76 -9.453 24.959 67.977 1.00 74.10 H new ATOM 0 HG22 THR A 76 -7.680 24.998 67.826 1.00 74.10 H new ATOM 0 HG23 THR A 76 -8.530 26.318 68.664 1.00 74.10 H new ATOM 1204 N PRO A 77 -8.429 29.347 67.199 1.00 2.15 N ATOM 1205 CA PRO A 77 -8.933 30.722 67.169 1.00 22.21 C ATOM 1206 C PRO A 77 -7.828 31.737 66.897 1.00 75.34 C ATOM 1207 O PRO A 77 -8.064 32.817 66.355 1.00 60.14 O ATOM 1208 CB PRO A 77 -9.508 30.921 68.574 1.00 1.32 C ATOM 1209 CG PRO A 77 -8.758 29.958 69.429 1.00 3.44 C ATOM 1210 CD PRO A 77 -8.461 28.771 68.554 1.00 73.11 C ATOM 0 HA PRO A 77 -9.661 30.872 66.371 1.00 22.21 H new ATOM 0 HB2 PRO A 77 -9.370 31.946 68.917 1.00 1.32 H new ATOM 0 HB3 PRO A 77 -10.579 30.719 68.596 1.00 1.32 H new ATOM 0 HG2 PRO A 77 -7.838 30.405 69.806 1.00 3.44 H new ATOM 0 HG3 PRO A 77 -9.349 29.665 70.297 1.00 3.44 H new ATOM 0 HD2 PRO A 77 -7.510 28.306 68.816 1.00 73.11 H new ATOM 0 HD3 PRO A 77 -9.228 28.002 68.646 1.00 73.11 H new ATOM 1218 N PRO A 78 -6.593 31.387 67.283 1.00 2.50 N ATOM 1219 CA PRO A 78 -5.426 32.255 67.090 1.00 1.54 C ATOM 1220 C PRO A 78 -5.038 32.384 65.621 1.00 0.41 C ATOM 1221 O PRO A 78 -4.518 31.444 65.019 1.00 51.41 O ATOM 1222 CB PRO A 78 -4.321 31.543 67.875 1.00 4.33 C ATOM 1223 CG PRO A 78 -4.735 30.111 67.898 1.00 33.11 C ATOM 1224 CD PRO A 78 -6.238 30.115 67.936 1.00 73.44 C ATOM 0 HA PRO A 78 -5.616 33.275 67.425 1.00 1.54 H new ATOM 0 HB2 PRO A 78 -3.351 31.667 67.394 1.00 4.33 H new ATOM 0 HB3 PRO A 78 -4.230 31.945 68.884 1.00 4.33 H new ATOM 0 HG2 PRO A 78 -4.368 29.585 67.017 1.00 33.11 H new ATOM 0 HG3 PRO A 78 -4.324 29.600 68.769 1.00 33.11 H new ATOM 0 HD2 PRO A 78 -6.656 29.260 67.404 1.00 73.44 H new ATOM 0 HD3 PRO A 78 -6.614 30.069 68.958 1.00 73.44 H new ATOM 1232 N THR A 79 -5.291 33.556 65.048 1.00 30.41 N ATOM 1233 CA THR A 79 -4.969 33.810 63.650 1.00 2.10 C ATOM 1234 C THR A 79 -4.986 35.303 63.343 1.00 40.24 C ATOM 1235 O THR A 79 -5.666 36.076 64.016 1.00 25.31 O ATOM 1236 CB THR A 79 -5.953 33.092 62.707 1.00 73.01 C ATOM 1237 OG1 THR A 79 -6.077 31.716 63.084 1.00 22.45 O ATOM 1238 CG2 THR A 79 -5.486 33.188 61.263 1.00 31.52 C ATOM 0 H THR A 79 -5.719 34.346 65.532 1.00 30.41 H new ATOM 0 HA THR A 79 -3.965 33.419 63.482 1.00 2.10 H new ATOM 0 HB THR A 79 -6.924 33.580 62.791 1.00 73.01 H new ATOM 0 HG1 THR A 79 -5.229 31.403 63.463 1.00 22.45 H new ATOM 0 HG21 THR A 79 -6.197 32.674 60.616 1.00 31.52 H new ATOM 0 HG22 THR A 79 -5.421 34.236 60.970 1.00 31.52 H new ATOM 0 HG23 THR A 79 -4.505 32.723 61.166 1.00 31.52 H new ATOM 1246 N ALA A 80 -4.234 35.700 62.321 1.00 74.05 N ATOM 1247 CA ALA A 80 -4.166 37.101 61.925 1.00 64.43 C ATOM 1248 C ALA A 80 -5.529 37.774 62.047 1.00 40.34 C ATOM 1249 O ALA A 80 -5.619 38.974 62.309 1.00 43.25 O ATOM 1250 CB ALA A 80 -3.642 37.221 60.501 1.00 22.43 C ATOM 0 H ALA A 80 -3.665 35.072 61.754 1.00 74.05 H new ATOM 0 HA ALA A 80 -3.478 37.610 62.599 1.00 64.43 H new ATOM 0 HB1 ALA A 80 -3.596 38.273 60.218 1.00 22.43 H new ATOM 0 HB2 ALA A 80 -2.644 36.786 60.442 1.00 22.43 H new ATOM 0 HB3 ALA A 80 -4.310 36.691 59.822 1.00 22.43 H new ATOM 1256 N SER A 81 -6.588 36.994 61.855 1.00 41.14 N ATOM 1257 CA SER A 81 -7.947 37.517 61.939 1.00 15.40 C ATOM 1258 C SER A 81 -8.228 38.076 63.331 1.00 10.32 C ATOM 1259 O SER A 81 -8.691 39.207 63.475 1.00 74.42 O ATOM 1260 CB SER A 81 -8.959 36.419 61.605 1.00 63.12 C ATOM 1261 OG SER A 81 -8.989 36.160 60.212 1.00 53.12 O ATOM 0 H SER A 81 -6.531 35.998 61.640 1.00 41.14 H new ATOM 0 HA SER A 81 -8.045 38.325 61.214 1.00 15.40 H new ATOM 0 HB2 SER A 81 -8.701 35.506 62.142 1.00 63.12 H new ATOM 0 HB3 SER A 81 -9.951 36.719 61.944 1.00 63.12 H new ATOM 0 HG SER A 81 -9.642 35.454 60.025 1.00 53.12 H new ATOM 1267 N ASP A 82 -7.944 37.275 64.353 1.00 65.22 N ATOM 1268 CA ASP A 82 -8.165 37.689 65.733 1.00 15.32 C ATOM 1269 C ASP A 82 -6.937 38.403 66.289 1.00 53.34 C ATOM 1270 O ASP A 82 -7.049 39.459 66.912 1.00 61.55 O ATOM 1271 CB ASP A 82 -8.504 36.478 66.604 1.00 24.42 C ATOM 1272 CG ASP A 82 -9.764 35.771 66.145 1.00 3.43 C ATOM 1273 OD1 ASP A 82 -10.591 36.412 65.464 1.00 13.10 O ATOM 1274 OD2 ASP A 82 -9.924 34.575 66.468 1.00 45.31 O ATOM 0 H ASP A 82 -7.560 36.335 64.251 1.00 65.22 H new ATOM 0 HA ASP A 82 -9.005 38.383 65.748 1.00 15.32 H new ATOM 0 HB2 ASP A 82 -7.670 35.776 66.587 1.00 24.42 H new ATOM 0 HB3 ASP A 82 -8.628 36.801 67.638 1.00 24.42 H new ATOM 1279 N VAL A 83 -5.765 37.818 66.062 1.00 2.02 N ATOM 1280 CA VAL A 83 -4.515 38.398 66.540 1.00 60.00 C ATOM 1281 C VAL A 83 -4.484 39.904 66.306 1.00 44.10 C ATOM 1282 O VAL A 83 -3.820 40.643 67.035 1.00 21.23 O ATOM 1283 CB VAL A 83 -3.298 37.756 65.849 1.00 44.20 C ATOM 1284 CG1 VAL A 83 -2.004 38.304 66.430 1.00 63.25 C ATOM 1285 CG2 VAL A 83 -3.351 36.240 65.978 1.00 42.05 C ATOM 0 H VAL A 83 -5.655 36.943 65.550 1.00 2.02 H new ATOM 0 HA VAL A 83 -4.462 38.199 67.610 1.00 60.00 H new ATOM 0 HB VAL A 83 -3.328 38.009 64.789 1.00 44.20 H new ATOM 0 HG11 VAL A 83 -1.155 37.839 65.930 1.00 63.25 H new ATOM 0 HG12 VAL A 83 -1.967 39.383 66.281 1.00 63.25 H new ATOM 0 HG13 VAL A 83 -1.962 38.083 67.497 1.00 63.25 H new ATOM 0 HG21 VAL A 83 -2.483 35.802 65.484 1.00 42.05 H new ATOM 0 HG22 VAL A 83 -3.346 35.964 67.033 1.00 42.05 H new ATOM 0 HG23 VAL A 83 -4.262 35.867 65.510 1.00 42.05 H new ATOM 1295 N VAL A 84 -5.205 40.354 65.284 1.00 45.10 N ATOM 1296 CA VAL A 84 -5.261 41.772 64.953 1.00 41.25 C ATOM 1297 C VAL A 84 -5.967 42.565 66.048 1.00 5.23 C ATOM 1298 O VAL A 84 -5.549 43.666 66.401 1.00 63.51 O ATOM 1299 CB VAL A 84 -5.985 42.009 63.615 1.00 45.12 C ATOM 1300 CG1 VAL A 84 -7.469 41.706 63.750 1.00 2.41 C ATOM 1301 CG2 VAL A 84 -5.765 43.436 63.136 1.00 73.20 C ATOM 0 H VAL A 84 -5.759 39.756 64.671 1.00 45.10 H new ATOM 0 HA VAL A 84 -4.231 42.117 64.865 1.00 41.25 H new ATOM 0 HB VAL A 84 -5.567 41.332 62.870 1.00 45.12 H new ATOM 0 HG11 VAL A 84 -7.964 41.879 62.795 1.00 2.41 H new ATOM 0 HG12 VAL A 84 -7.602 40.665 64.044 1.00 2.41 H new ATOM 0 HG13 VAL A 84 -7.906 42.356 64.508 1.00 2.41 H new ATOM 0 HG21 VAL A 84 -6.284 43.586 62.189 1.00 73.20 H new ATOM 0 HG22 VAL A 84 -6.155 44.133 63.878 1.00 73.20 H new ATOM 0 HG23 VAL A 84 -4.698 43.613 62.997 1.00 73.20 H new ATOM 1311 N GLY A 85 -7.042 41.993 66.585 1.00 63.31 N ATOM 1312 CA GLY A 85 -7.790 42.660 67.635 1.00 63.11 C ATOM 1313 C GLY A 85 -7.919 41.810 68.883 1.00 43.14 C ATOM 1314 O GLY A 85 -8.750 42.086 69.747 1.00 73.42 O ATOM 0 H GLY A 85 -7.407 41.081 66.312 1.00 63.31 H new ATOM 0 HA2 GLY A 85 -7.297 43.599 67.888 1.00 63.11 H new ATOM 0 HA3 GLY A 85 -8.784 42.911 67.266 1.00 63.11 H new ATOM 1318 N MET A 86 -7.096 40.771 68.977 1.00 45.52 N ATOM 1319 CA MET A 86 -7.122 39.878 70.130 1.00 2.24 C ATOM 1320 C MET A 86 -6.323 40.462 71.290 1.00 13.20 C ATOM 1321 O MET A 86 -6.844 40.688 72.382 1.00 12.42 O ATOM 1322 CB MET A 86 -6.562 38.505 69.751 1.00 12.23 C ATOM 1323 CG MET A 86 -5.948 37.755 70.922 1.00 22.20 C ATOM 1324 SD MET A 86 -6.412 36.013 70.950 1.00 52.42 S ATOM 1325 CE MET A 86 -5.032 35.280 70.075 1.00 44.53 C ATOM 0 H MET A 86 -6.403 40.527 68.269 1.00 45.52 H new ATOM 0 HA MET A 86 -8.159 39.766 70.447 1.00 2.24 H new ATOM 0 HB2 MET A 86 -7.362 37.901 69.323 1.00 12.23 H new ATOM 0 HB3 MET A 86 -5.807 38.631 68.975 1.00 12.23 H new ATOM 0 HG2 MET A 86 -4.862 37.837 70.872 1.00 22.20 H new ATOM 0 HG3 MET A 86 -6.261 38.225 71.854 1.00 22.20 H new ATOM 0 HE1 MET A 86 -5.269 34.246 69.823 1.00 44.53 H new ATOM 0 HE2 MET A 86 -4.841 35.842 69.161 1.00 44.53 H new ATOM 0 HE3 MET A 86 -4.145 35.305 70.708 1.00 44.53 H new ATOM 1335 N PRO A 87 -5.027 40.714 71.051 1.00 33.52 N ATOM 1336 CA PRO A 87 -4.131 41.277 72.064 1.00 4.40 C ATOM 1337 C PRO A 87 -4.455 42.732 72.383 1.00 12.33 C ATOM 1338 O PRO A 87 -5.487 43.253 71.959 1.00 54.33 O ATOM 1339 CB PRO A 87 -2.749 41.169 71.413 1.00 11.45 C ATOM 1340 CG PRO A 87 -3.019 41.167 69.948 1.00 32.02 C ATOM 1341 CD PRO A 87 -4.340 40.471 69.772 1.00 45.11 C ATOM 0 HA PRO A 87 -4.213 40.753 73.016 1.00 4.40 H new ATOM 0 HB2 PRO A 87 -2.111 42.006 71.697 1.00 11.45 H new ATOM 0 HB3 PRO A 87 -2.236 40.258 71.722 1.00 11.45 H new ATOM 0 HG2 PRO A 87 -3.058 42.184 69.557 1.00 32.02 H new ATOM 0 HG3 PRO A 87 -2.229 40.647 69.406 1.00 32.02 H new ATOM 0 HD2 PRO A 87 -4.900 40.879 68.931 1.00 45.11 H new ATOM 0 HD3 PRO A 87 -4.211 39.406 69.582 1.00 45.11 H new ATOM 1349 N GLN A 88 -3.569 43.382 73.132 1.00 1.24 N ATOM 1350 CA GLN A 88 -3.764 44.777 73.507 1.00 53.41 C ATOM 1351 C GLN A 88 -3.247 45.711 72.419 1.00 65.30 C ATOM 1352 O GLN A 88 -3.892 46.704 72.080 1.00 12.43 O ATOM 1353 CB GLN A 88 -3.056 45.074 74.830 1.00 42.01 C ATOM 1354 CG GLN A 88 -1.723 44.360 74.980 1.00 40.41 C ATOM 1355 CD GLN A 88 -0.750 45.118 75.863 1.00 3.14 C ATOM 1356 OE1 GLN A 88 -0.400 46.264 75.579 1.00 33.42 O ATOM 1357 NE2 GLN A 88 -0.308 44.480 76.940 1.00 53.11 N ATOM 0 H GLN A 88 -2.710 42.965 73.490 1.00 1.24 H new ATOM 0 HA GLN A 88 -4.834 44.949 73.628 1.00 53.41 H new ATOM 0 HB2 GLN A 88 -2.894 46.149 74.913 1.00 42.01 H new ATOM 0 HB3 GLN A 88 -3.708 44.785 75.654 1.00 42.01 H new ATOM 0 HG2 GLN A 88 -1.892 43.368 75.400 1.00 40.41 H new ATOM 0 HG3 GLN A 88 -1.279 44.218 73.995 1.00 40.41 H new ATOM 0 HE21 GLN A 88 -0.625 43.531 77.136 1.00 53.11 H new ATOM 0 HE22 GLN A 88 0.349 44.939 77.571 1.00 53.11 H new ATOM 1366 N TRP A 89 -2.080 45.387 71.873 1.00 12.32 N ATOM 1367 CA TRP A 89 -1.476 46.197 70.822 1.00 62.34 C ATOM 1368 C TRP A 89 -2.516 46.609 69.786 1.00 20.34 C ATOM 1369 O TRP A 89 -2.330 47.586 69.062 1.00 50.10 O ATOM 1370 CB TRP A 89 -0.341 45.427 70.145 1.00 71.53 C ATOM 1371 CG TRP A 89 -0.810 44.524 69.045 1.00 60.12 C ATOM 1372 CD1 TRP A 89 -1.545 44.879 67.949 1.00 50.34 C ATOM 1373 CD2 TRP A 89 -0.576 43.116 68.935 1.00 30.53 C ATOM 1374 NE1 TRP A 89 -1.783 43.776 67.166 1.00 5.53 N ATOM 1375 CE2 TRP A 89 -1.199 42.682 67.747 1.00 52.44 C ATOM 1376 CE3 TRP A 89 0.099 42.179 69.722 1.00 74.24 C ATOM 1377 CZ2 TRP A 89 -1.165 41.353 67.333 1.00 63.23 C ATOM 1378 CZ3 TRP A 89 0.131 40.861 69.308 1.00 55.53 C ATOM 1379 CH2 TRP A 89 -0.497 40.458 68.123 1.00 62.12 C ATOM 0 H TRP A 89 -1.533 44.569 72.141 1.00 12.32 H new ATOM 0 HA TRP A 89 -1.071 47.099 71.281 1.00 62.34 H new ATOM 0 HB2 TRP A 89 0.379 46.138 69.740 1.00 71.53 H new ATOM 0 HB3 TRP A 89 0.183 44.834 70.894 1.00 71.53 H new ATOM 0 HD1 TRP A 89 -1.888 45.879 67.731 1.00 50.34 H new ATOM 0 HE1 TRP A 89 -2.310 43.772 66.293 1.00 5.53 H new ATOM 0 HE3 TRP A 89 0.587 42.480 70.637 1.00 74.24 H new ATOM 0 HZ2 TRP A 89 -1.649 41.040 66.420 1.00 63.23 H new ATOM 0 HZ3 TRP A 89 0.650 40.129 69.909 1.00 55.53 H new ATOM 0 HH2 TRP A 89 -0.453 39.420 67.827 1.00 62.12 H new ATOM 1390 N GLN A 90 -3.611 45.858 69.722 1.00 55.53 N ATOM 1391 CA GLN A 90 -4.681 46.146 68.774 1.00 65.01 C ATOM 1392 C GLN A 90 -5.240 47.548 68.994 1.00 51.42 C ATOM 1393 O GLN A 90 -5.358 48.333 68.054 1.00 15.13 O ATOM 1394 CB GLN A 90 -5.800 45.111 68.904 1.00 51.54 C ATOM 1395 CG GLN A 90 -6.433 45.070 70.285 1.00 71.14 C ATOM 1396 CD GLN A 90 -7.554 46.078 70.443 1.00 13.14 C ATOM 1397 OE1 GLN A 90 -7.749 46.946 69.591 1.00 14.51 O ATOM 1398 NE2 GLN A 90 -8.301 45.968 71.535 1.00 11.42 N ATOM 0 H GLN A 90 -3.780 45.046 70.315 1.00 55.53 H new ATOM 0 HA GLN A 90 -4.264 46.094 67.768 1.00 65.01 H new ATOM 0 HB2 GLN A 90 -6.572 45.328 68.166 1.00 51.54 H new ATOM 0 HB3 GLN A 90 -5.401 44.125 68.667 1.00 51.54 H new ATOM 0 HG2 GLN A 90 -6.821 44.069 70.473 1.00 71.14 H new ATOM 0 HG3 GLN A 90 -5.668 45.262 71.037 1.00 71.14 H new ATOM 0 HE21 GLN A 90 -8.105 45.234 72.215 1.00 11.42 H new ATOM 0 HE22 GLN A 90 -9.071 46.618 71.694 1.00 11.42 H new ATOM 1407 N GLU A 91 -5.583 47.854 70.242 1.00 24.32 N ATOM 1408 CA GLU A 91 -6.131 49.160 70.584 1.00 35.53 C ATOM 1409 C GLU A 91 -5.019 50.191 70.751 1.00 44.23 C ATOM 1410 O GLU A 91 -5.145 51.333 70.309 1.00 75.12 O ATOM 1411 CB GLU A 91 -6.957 49.072 71.870 1.00 43.51 C ATOM 1412 CG GLU A 91 -8.283 49.808 71.794 1.00 62.13 C ATOM 1413 CD GLU A 91 -8.932 49.982 73.154 1.00 43.43 C ATOM 1414 OE1 GLU A 91 -8.194 50.174 74.143 1.00 74.41 O ATOM 1415 OE2 GLU A 91 -10.177 49.927 73.228 1.00 2.14 O ATOM 0 H GLU A 91 -5.491 47.215 71.032 1.00 24.32 H new ATOM 0 HA GLU A 91 -6.778 49.478 69.766 1.00 35.53 H new ATOM 0 HB2 GLU A 91 -7.146 48.023 72.099 1.00 43.51 H new ATOM 0 HB3 GLU A 91 -6.373 49.478 72.696 1.00 43.51 H new ATOM 0 HG2 GLU A 91 -8.125 50.788 71.343 1.00 62.13 H new ATOM 0 HG3 GLU A 91 -8.961 49.261 71.139 1.00 62.13 H new ATOM 1422 N TYR A 92 -3.930 49.779 71.390 1.00 31.00 N ATOM 1423 CA TYR A 92 -2.795 50.666 71.618 1.00 15.12 C ATOM 1424 C TYR A 92 -2.285 51.246 70.303 1.00 51.32 C ATOM 1425 O TYR A 92 -2.241 52.464 70.123 1.00 3.43 O ATOM 1426 CB TYR A 92 -1.668 49.915 72.329 1.00 23.14 C ATOM 1427 CG TYR A 92 -1.671 50.097 73.830 1.00 21.40 C ATOM 1428 CD1 TYR A 92 -1.190 51.266 74.407 1.00 51.50 C ATOM 1429 CD2 TYR A 92 -2.153 49.102 74.670 1.00 64.22 C ATOM 1430 CE1 TYR A 92 -1.189 51.438 75.778 1.00 3.11 C ATOM 1431 CE2 TYR A 92 -2.157 49.265 76.042 1.00 31.10 C ATOM 1432 CZ TYR A 92 -1.674 50.434 76.591 1.00 72.24 C ATOM 1433 OH TYR A 92 -1.676 50.600 77.957 1.00 71.32 O ATOM 0 H TYR A 92 -3.809 48.836 71.760 1.00 31.00 H new ATOM 0 HA TYR A 92 -3.130 51.488 72.251 1.00 15.12 H new ATOM 0 HB2 TYR A 92 -1.750 48.852 72.100 1.00 23.14 H new ATOM 0 HB3 TYR A 92 -0.711 50.253 71.932 1.00 23.14 H new ATOM 0 HD1 TYR A 92 -0.810 52.054 73.773 1.00 51.50 H new ATOM 0 HD2 TYR A 92 -2.531 48.185 74.244 1.00 64.22 H new ATOM 0 HE1 TYR A 92 -0.811 52.353 76.211 1.00 3.11 H new ATOM 0 HE2 TYR A 92 -2.536 48.481 76.681 1.00 31.10 H new ATOM 0 HH TYR A 92 -2.051 49.801 78.383 1.00 71.32 H new ATOM 1443 N THR A 93 -1.899 50.366 69.385 1.00 20.34 N ATOM 1444 CA THR A 93 -1.391 50.788 68.086 1.00 12.12 C ATOM 1445 C THR A 93 -2.374 51.723 67.389 1.00 43.12 C ATOM 1446 O THR A 93 -1.978 52.567 66.586 1.00 33.41 O ATOM 1447 CB THR A 93 -1.113 49.580 67.171 1.00 73.44 C ATOM 1448 OG1 THR A 93 -0.295 49.981 66.066 1.00 14.04 O ATOM 1449 CG2 THR A 93 -2.412 48.980 66.656 1.00 32.01 C ATOM 0 H THR A 93 -1.929 49.355 69.517 1.00 20.34 H new ATOM 0 HA THR A 93 -0.456 51.318 68.269 1.00 12.12 H new ATOM 0 HB THR A 93 -0.589 48.823 67.755 1.00 73.44 H new ATOM 0 HG1 THR A 93 0.642 50.022 66.350 1.00 14.04 H new ATOM 0 HG21 THR A 93 -2.190 48.129 66.012 1.00 32.01 H new ATOM 0 HG22 THR A 93 -3.019 48.649 67.499 1.00 32.01 H new ATOM 0 HG23 THR A 93 -2.960 49.732 66.087 1.00 32.01 H new ATOM 1457 N ALA A 94 -3.656 51.566 67.701 1.00 74.23 N ATOM 1458 CA ALA A 94 -4.694 52.399 67.108 1.00 24.45 C ATOM 1459 C ALA A 94 -4.836 53.719 67.857 1.00 3.43 C ATOM 1460 O ALA A 94 -5.117 54.756 67.257 1.00 54.11 O ATOM 1461 CB ALA A 94 -6.021 51.655 67.089 1.00 22.15 C ATOM 0 H ALA A 94 -4.001 50.869 68.361 1.00 74.23 H new ATOM 0 HA ALA A 94 -4.401 52.624 66.083 1.00 24.45 H new ATOM 0 HB1 ALA A 94 -6.787 52.289 66.643 1.00 22.15 H new ATOM 0 HB2 ALA A 94 -5.918 50.743 66.501 1.00 22.15 H new ATOM 0 HB3 ALA A 94 -6.309 51.399 68.109 1.00 22.15 H new ATOM 1467 N MET A 95 -4.641 53.671 69.171 1.00 71.31 N ATOM 1468 CA MET A 95 -4.748 54.865 70.002 1.00 61.04 C ATOM 1469 C MET A 95 -3.705 55.904 69.598 1.00 1.55 C ATOM 1470 O MET A 95 -3.876 57.098 69.845 1.00 61.21 O ATOM 1471 CB MET A 95 -4.577 54.502 71.478 1.00 41.42 C ATOM 1472 CG MET A 95 -5.236 55.488 72.427 1.00 55.30 C ATOM 1473 SD MET A 95 -5.030 55.031 74.159 1.00 41.41 S ATOM 1474 CE MET A 95 -5.512 56.553 74.971 1.00 10.02 C ATOM 0 H MET A 95 -4.408 52.820 69.683 1.00 71.31 H new ATOM 0 HA MET A 95 -5.739 55.293 69.853 1.00 61.04 H new ATOM 0 HB2 MET A 95 -4.995 53.510 71.650 1.00 41.42 H new ATOM 0 HB3 MET A 95 -3.513 54.444 71.708 1.00 41.42 H new ATOM 0 HG2 MET A 95 -4.814 56.480 72.265 1.00 55.30 H new ATOM 0 HG3 MET A 95 -6.299 55.552 72.197 1.00 55.30 H new ATOM 0 HE1 MET A 95 -5.437 56.429 76.051 1.00 10.02 H new ATOM 0 HE2 MET A 95 -4.853 57.360 74.652 1.00 10.02 H new ATOM 0 HE3 MET A 95 -6.540 56.798 74.704 1.00 10.02 H new ATOM 1484 N LEU A 96 -2.625 55.440 68.978 1.00 73.00 N ATOM 1485 CA LEU A 96 -1.555 56.330 68.540 1.00 44.43 C ATOM 1486 C LEU A 96 -2.021 57.221 67.394 1.00 34.21 C ATOM 1487 O LEU A 96 -1.968 58.447 67.486 1.00 11.31 O ATOM 1488 CB LEU A 96 -0.335 55.515 68.105 1.00 34.43 C ATOM 1489 CG LEU A 96 -0.027 54.270 68.937 1.00 31.12 C ATOM 1490 CD1 LEU A 96 1.280 53.636 68.486 1.00 34.11 C ATOM 1491 CD2 LEU A 96 0.030 54.620 70.417 1.00 41.30 C ATOM 0 H LEU A 96 -2.467 54.454 68.768 1.00 73.00 H new ATOM 0 HA LEU A 96 -1.279 56.967 69.380 1.00 44.43 H new ATOM 0 HB2 LEU A 96 -0.479 55.208 67.069 1.00 34.43 H new ATOM 0 HB3 LEU A 96 0.538 56.167 68.126 1.00 34.43 H new ATOM 0 HG LEU A 96 -0.828 53.547 68.785 1.00 31.12 H new ATOM 0 HD11 LEU A 96 1.483 52.751 69.090 1.00 34.11 H new ATOM 0 HD12 LEU A 96 1.203 53.350 67.437 1.00 34.11 H new ATOM 0 HD13 LEU A 96 2.093 54.352 68.608 1.00 34.11 H new ATOM 0 HD21 LEU A 96 0.250 53.722 70.995 1.00 41.30 H new ATOM 0 HD22 LEU A 96 0.811 55.361 70.586 1.00 41.30 H new ATOM 0 HD23 LEU A 96 -0.931 55.028 70.732 1.00 41.30 H new ATOM 1503 N ARG A 97 -2.480 56.595 66.314 1.00 72.34 N ATOM 1504 CA ARG A 97 -2.956 57.333 65.150 1.00 20.05 C ATOM 1505 C ARG A 97 -4.326 57.948 65.420 1.00 61.13 C ATOM 1506 O ARG A 97 -4.639 59.031 64.925 1.00 51.53 O ATOM 1507 CB ARG A 97 -3.032 56.410 63.932 1.00 20.31 C ATOM 1508 CG ARG A 97 -3.890 55.176 64.155 1.00 71.11 C ATOM 1509 CD ARG A 97 -3.243 53.933 63.563 1.00 0.15 C ATOM 1510 NE ARG A 97 -4.061 53.339 62.509 1.00 23.21 N ATOM 1511 CZ ARG A 97 -3.787 52.172 61.936 1.00 64.43 C ATOM 1512 NH1 ARG A 97 -2.723 51.479 62.314 1.00 1.44 N ATOM 1513 NH2 ARG A 97 -4.579 51.698 60.983 1.00 62.04 N ATOM 0 H ARG A 97 -2.532 55.581 66.221 1.00 72.34 H new ATOM 0 HA ARG A 97 -2.249 58.137 64.946 1.00 20.05 H new ATOM 0 HB2 ARG A 97 -3.430 56.971 63.086 1.00 20.31 H new ATOM 0 HB3 ARG A 97 -2.024 56.097 63.661 1.00 20.31 H new ATOM 0 HG2 ARG A 97 -4.050 55.031 65.223 1.00 71.11 H new ATOM 0 HG3 ARG A 97 -4.871 55.327 63.704 1.00 71.11 H new ATOM 0 HD2 ARG A 97 -2.264 54.191 63.160 1.00 0.15 H new ATOM 0 HD3 ARG A 97 -3.079 53.199 64.352 1.00 0.15 H new ATOM 0 HE ARG A 97 -4.888 53.848 62.196 1.00 23.21 H new ATOM 0 HH11 ARG A 97 -2.112 51.841 63.046 1.00 1.44 H new ATOM 0 HH12 ARG A 97 -2.515 50.583 61.873 1.00 1.44 H new ATOM 0 HH21 ARG A 97 -5.399 52.230 60.690 1.00 62.04 H new ATOM 0 HH22 ARG A 97 -4.368 50.802 60.543 1.00 62.04 H new ATOM 1527 N GLU A 98 -5.139 57.250 66.207 1.00 52.41 N ATOM 1528 CA GLU A 98 -6.475 57.728 66.541 1.00 70.30 C ATOM 1529 C GLU A 98 -6.405 58.902 67.515 1.00 64.31 C ATOM 1530 O GLU A 98 -6.973 59.965 67.263 1.00 72.14 O ATOM 1531 CB GLU A 98 -7.310 56.598 67.147 1.00 43.05 C ATOM 1532 CG GLU A 98 -8.682 57.042 67.623 1.00 12.21 C ATOM 1533 CD GLU A 98 -9.780 56.702 66.635 1.00 20.31 C ATOM 1534 OE1 GLU A 98 -9.934 57.444 65.642 1.00 24.13 O ATOM 1535 OE2 GLU A 98 -10.486 55.696 66.854 1.00 25.21 O ATOM 0 H GLU A 98 -4.896 56.352 66.625 1.00 52.41 H new ATOM 0 HA GLU A 98 -6.951 58.068 65.621 1.00 70.30 H new ATOM 0 HB2 GLU A 98 -7.430 55.809 66.405 1.00 43.05 H new ATOM 0 HB3 GLU A 98 -6.766 56.166 67.987 1.00 43.05 H new ATOM 0 HG2 GLU A 98 -8.901 56.569 68.581 1.00 12.21 H new ATOM 0 HG3 GLU A 98 -8.672 58.119 67.794 1.00 12.21 H new ATOM 1542 N ARG A 99 -5.707 58.699 68.627 1.00 64.15 N ATOM 1543 CA ARG A 99 -5.564 59.738 69.639 1.00 70.14 C ATOM 1544 C ARG A 99 -4.239 60.478 69.476 1.00 73.42 C ATOM 1545 O ARG A 99 -3.740 61.096 70.417 1.00 0.11 O ATOM 1546 CB ARG A 99 -5.650 59.130 71.040 1.00 74.11 C ATOM 1547 CG ARG A 99 -5.939 60.150 72.130 1.00 53.11 C ATOM 1548 CD ARG A 99 -7.426 60.447 72.236 1.00 21.21 C ATOM 1549 NE ARG A 99 -7.785 60.983 73.547 1.00 22.31 N ATOM 1550 CZ ARG A 99 -9.031 61.026 74.006 1.00 74.32 C ATOM 1551 NH1 ARG A 99 -10.031 60.567 73.267 1.00 43.13 N ATOM 1552 NH2 ARG A 99 -9.278 61.529 75.209 1.00 42.22 N ATOM 0 H ARG A 99 -5.232 57.825 68.850 1.00 64.15 H new ATOM 0 HA ARG A 99 -6.378 60.451 69.508 1.00 70.14 H new ATOM 0 HB2 ARG A 99 -6.431 58.370 71.050 1.00 74.11 H new ATOM 0 HB3 ARG A 99 -4.711 58.625 71.266 1.00 74.11 H new ATOM 0 HG2 ARG A 99 -5.573 59.776 73.086 1.00 53.11 H new ATOM 0 HG3 ARG A 99 -5.397 61.072 71.920 1.00 53.11 H new ATOM 0 HD2 ARG A 99 -7.709 61.161 71.463 1.00 21.21 H new ATOM 0 HD3 ARG A 99 -7.992 59.534 72.050 1.00 21.21 H new ATOM 0 HE ARG A 99 -7.039 61.344 74.142 1.00 22.31 H new ATOM 0 HH11 ARG A 99 -9.845 60.179 72.342 1.00 43.13 H new ATOM 0 HH12 ARG A 99 -10.986 60.602 73.623 1.00 43.13 H new ATOM 0 HH21 ARG A 99 -8.511 61.883 75.781 1.00 42.22 H new ATOM 0 HH22 ARG A 99 -10.235 61.562 75.561 1.00 42.22 H new ATOM 1566 N PHE A 100 -3.675 60.412 68.275 1.00 64.43 N ATOM 1567 CA PHE A 100 -2.407 61.074 67.988 1.00 31.51 C ATOM 1568 C PHE A 100 -2.437 62.529 68.447 1.00 15.23 C ATOM 1569 O PHE A 100 -1.404 63.110 68.775 1.00 43.41 O ATOM 1570 CB PHE A 100 -2.100 61.007 66.491 1.00 25.45 C ATOM 1571 CG PHE A 100 -2.698 62.138 65.704 1.00 15.22 C ATOM 1572 CD1 PHE A 100 -4.070 62.228 65.528 1.00 52.32 C ATOM 1573 CD2 PHE A 100 -1.889 63.111 65.140 1.00 22.23 C ATOM 1574 CE1 PHE A 100 -4.624 63.268 64.806 1.00 62.02 C ATOM 1575 CE2 PHE A 100 -2.438 64.153 64.417 1.00 61.14 C ATOM 1576 CZ PHE A 100 -3.807 64.232 64.248 1.00 50.40 C ATOM 0 H PHE A 100 -4.075 59.907 67.484 1.00 64.43 H new ATOM 0 HA PHE A 100 -1.622 60.554 68.537 1.00 31.51 H new ATOM 0 HB2 PHE A 100 -1.019 61.009 66.350 1.00 25.45 H new ATOM 0 HB3 PHE A 100 -2.472 60.062 66.094 1.00 25.45 H new ATOM 0 HD1 PHE A 100 -4.714 61.476 65.960 1.00 52.32 H new ATOM 0 HD2 PHE A 100 -0.818 63.055 65.267 1.00 22.23 H new ATOM 0 HE1 PHE A 100 -5.695 63.327 64.678 1.00 62.02 H new ATOM 0 HE2 PHE A 100 -1.796 64.906 63.984 1.00 61.14 H new ATOM 0 HZ PHE A 100 -4.237 65.045 63.681 1.00 50.40 H new ATOM 1586 N ALA A 101 -3.632 63.112 68.467 1.00 52.31 N ATOM 1587 CA ALA A 101 -3.798 64.498 68.888 1.00 50.11 C ATOM 1588 C ALA A 101 -3.094 64.758 70.214 1.00 41.55 C ATOM 1589 O ALA A 101 -2.546 65.837 70.437 1.00 21.15 O ATOM 1590 CB ALA A 101 -5.276 64.842 68.997 1.00 53.22 C ATOM 0 H ALA A 101 -4.498 62.646 68.197 1.00 52.31 H new ATOM 0 HA ALA A 101 -3.341 65.138 68.133 1.00 50.11 H new ATOM 0 HB1 ALA A 101 -5.386 65.880 69.312 1.00 53.22 H new ATOM 0 HB2 ALA A 101 -5.754 64.705 68.027 1.00 53.22 H new ATOM 0 HB3 ALA A 101 -5.749 64.188 69.730 1.00 53.22 H new ATOM 1596 N GLY A 102 -3.111 63.760 71.095 1.00 60.53 N ATOM 1597 CA GLY A 102 -2.470 63.902 72.389 1.00 22.41 C ATOM 1598 C GLY A 102 -1.635 62.693 72.758 1.00 3.35 C ATOM 1599 O GLY A 102 -2.077 61.834 73.523 1.00 55.42 O ATOM 0 H GLY A 102 -3.557 62.857 70.935 1.00 60.53 H new ATOM 0 HA2 GLY A 102 -1.836 64.789 72.382 1.00 22.41 H new ATOM 0 HA3 GLY A 102 -3.231 64.061 73.153 1.00 22.41 H new ATOM 1603 N LEU A 103 -0.426 62.620 72.212 1.00 33.13 N ATOM 1604 CA LEU A 103 0.472 61.505 72.487 1.00 43.24 C ATOM 1605 C LEU A 103 1.380 61.817 73.672 1.00 1.13 C ATOM 1606 O LEU A 103 1.525 61.004 74.586 1.00 71.12 O ATOM 1607 CB LEU A 103 1.318 61.189 71.252 1.00 2.02 C ATOM 1608 CG LEU A 103 0.550 60.724 70.014 1.00 0.24 C ATOM 1609 CD1 LEU A 103 1.358 60.990 68.753 1.00 14.51 C ATOM 1610 CD2 LEU A 103 0.203 59.246 70.126 1.00 73.42 C ATOM 0 H LEU A 103 -0.045 63.321 71.576 1.00 33.13 H new ATOM 0 HA LEU A 103 -0.135 60.635 72.737 1.00 43.24 H new ATOM 0 HB2 LEU A 103 1.887 62.080 70.988 1.00 2.02 H new ATOM 0 HB3 LEU A 103 2.040 60.417 71.518 1.00 2.02 H new ATOM 0 HG LEU A 103 -0.379 61.291 69.952 1.00 0.24 H new ATOM 0 HD11 LEU A 103 0.795 60.653 67.882 1.00 14.51 H new ATOM 0 HD12 LEU A 103 1.555 62.058 68.666 1.00 14.51 H new ATOM 0 HD13 LEU A 103 2.303 60.450 68.806 1.00 14.51 H new ATOM 0 HD21 LEU A 103 -0.343 58.932 69.237 1.00 73.42 H new ATOM 0 HD22 LEU A 103 1.120 58.663 70.214 1.00 73.42 H new ATOM 0 HD23 LEU A 103 -0.416 59.083 71.008 1.00 73.42 H new