USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.729 X(o=-0.73,f=-0.72) USER MOD Single : A 34 LYS NZ :NH3+ -150:sc= -0.904 (180deg=-1.57) USER MOD Single : A 37 MET CE :methyl -128:sc= -9.39! (180deg=-17!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -2.02 K(o=-2,f=-4.5!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0772 X(o=-0.077,f=-0.2) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -101:sc= 1.23 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.27) USER MOD Single : A 58 SER OG : rot 180:sc= -0.965 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot -15:sc= -0.0345 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 69 GLN : amide:sc= -0.0742 X(o=-0.074,f=-0.3) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.94) 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= -1.75 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0088 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 141:sc= 0 (180deg=-1.47!) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 14.451 50.196 69.253 1.00 71.02 N ATOM 249 CA LYS A 17 14.807 48.968 68.554 1.00 1.32 C ATOM 250 C LYS A 17 13.594 48.054 68.408 1.00 23.13 C ATOM 251 O LYS A 17 12.503 48.377 68.875 1.00 32.31 O ATOM 252 CB LYS A 17 15.924 48.235 69.303 1.00 33.25 C ATOM 253 CG LYS A 17 16.984 49.162 69.870 1.00 54.51 C ATOM 254 CD LYS A 17 17.569 48.615 71.162 1.00 35.41 C ATOM 255 CE LYS A 17 18.960 49.172 71.425 1.00 31.11 C ATOM 256 NZ LYS A 17 20.023 48.292 70.868 1.00 25.32 N ATOM 0 HA LYS A 17 15.161 49.236 67.558 1.00 1.32 H new ATOM 0 HB2 LYS A 17 15.486 47.657 70.116 1.00 33.25 H new ATOM 0 HB3 LYS A 17 16.399 47.525 68.626 1.00 33.25 H new ATOM 0 HG2 LYS A 17 17.780 49.297 69.138 1.00 54.51 H new ATOM 0 HG3 LYS A 17 16.549 50.145 70.054 1.00 54.51 H new ATOM 0 HD2 LYS A 17 16.912 48.866 71.995 1.00 35.41 H new ATOM 0 HD3 LYS A 17 17.616 47.527 71.110 1.00 35.41 H new ATOM 0 HE2 LYS A 17 19.043 50.165 70.984 1.00 31.11 H new ATOM 0 HE3 LYS A 17 19.109 49.286 72.499 1.00 31.11 H new ATOM 0 HZ1 LYS A 17 20.956 48.706 71.068 1.00 25.32 H new ATOM 0 HZ2 LYS A 17 19.960 47.351 71.307 1.00 25.32 H new ATOM 0 HZ3 LYS A 17 19.897 48.203 69.840 1.00 25.32 H new ATOM 270 N TRP A 18 13.794 46.913 67.758 1.00 10.22 N ATOM 271 CA TRP A 18 12.716 45.952 67.553 1.00 71.42 C ATOM 272 C TRP A 18 12.025 45.619 68.871 1.00 22.44 C ATOM 273 O TRP A 18 12.506 45.983 69.944 1.00 72.10 O ATOM 274 CB TRP A 18 13.259 44.675 66.910 1.00 43.10 C ATOM 275 CG TRP A 18 14.333 44.930 65.896 1.00 40.42 C ATOM 276 CD1 TRP A 18 14.383 45.956 64.996 1.00 43.22 C ATOM 277 CD2 TRP A 18 15.512 44.145 65.679 1.00 55.10 C ATOM 278 NE1 TRP A 18 15.521 45.855 64.232 1.00 21.51 N ATOM 279 CE2 TRP A 18 16.230 44.754 64.631 1.00 54.41 C ATOM 280 CE3 TRP A 18 16.029 42.989 66.269 1.00 43.32 C ATOM 281 CZ2 TRP A 18 17.438 44.243 64.163 1.00 33.35 C ATOM 282 CZ3 TRP A 18 17.228 42.483 65.803 1.00 71.41 C ATOM 283 CH2 TRP A 18 17.922 43.110 64.759 1.00 61.52 C ATOM 0 H TRP A 18 14.692 46.631 67.364 1.00 10.22 H new ATOM 0 HA TRP A 18 11.983 46.403 66.885 1.00 71.42 H new ATOM 0 HB2 TRP A 18 13.653 44.023 67.690 1.00 43.10 H new ATOM 0 HB3 TRP A 18 12.438 44.140 66.432 1.00 43.10 H new ATOM 0 HD1 TRP A 18 13.638 46.732 64.899 1.00 43.22 H new ATOM 0 HE1 TRP A 18 15.793 46.497 63.488 1.00 21.51 H new ATOM 0 HE3 TRP A 18 15.502 42.500 67.074 1.00 43.32 H new ATOM 0 HZ2 TRP A 18 17.974 44.724 63.358 1.00 33.35 H new ATOM 0 HZ3 TRP A 18 17.637 41.589 66.251 1.00 71.41 H new ATOM 0 HH2 TRP A 18 18.857 42.691 64.418 1.00 61.52 H new ATOM 294 N LEU A 19 10.895 44.925 68.782 1.00 63.33 N ATOM 295 CA LEU A 19 10.138 44.542 69.968 1.00 43.33 C ATOM 296 C LEU A 19 10.918 43.537 70.812 1.00 21.32 C ATOM 297 O LEU A 19 10.478 43.146 71.893 1.00 32.24 O ATOM 298 CB LEU A 19 8.788 43.948 69.565 1.00 34.34 C ATOM 299 CG LEU A 19 7.562 44.820 69.840 1.00 0.12 C ATOM 300 CD1 LEU A 19 6.304 44.161 69.295 1.00 44.55 C ATOM 301 CD2 LEU A 19 7.421 45.088 71.332 1.00 2.30 C ATOM 0 H LEU A 19 10.484 44.617 67.901 1.00 63.33 H new ATOM 0 HA LEU A 19 9.970 45.437 70.566 1.00 43.33 H new ATOM 0 HB2 LEU A 19 8.817 43.722 68.499 1.00 34.34 H new ATOM 0 HB3 LEU A 19 8.660 43.000 70.088 1.00 34.34 H new ATOM 0 HG LEU A 19 7.698 45.774 69.330 1.00 0.12 H new ATOM 0 HD11 LEU A 19 5.442 44.796 69.500 1.00 44.55 H new ATOM 0 HD12 LEU A 19 6.404 44.021 68.219 1.00 44.55 H new ATOM 0 HD13 LEU A 19 6.163 43.193 69.775 1.00 44.55 H new ATOM 0 HD21 LEU A 19 6.543 45.710 71.509 1.00 2.30 H new ATOM 0 HD22 LEU A 19 7.308 44.142 71.862 1.00 2.30 H new ATOM 0 HD23 LEU A 19 8.310 45.604 71.695 1.00 2.30 H new ATOM 313 N ASP A 20 12.077 43.126 70.311 1.00 30.52 N ATOM 314 CA ASP A 20 12.920 42.170 71.018 1.00 2.45 C ATOM 315 C ASP A 20 13.156 42.615 72.459 1.00 24.31 C ATOM 316 O ASP A 20 12.981 41.839 73.396 1.00 1.44 O ATOM 317 CB ASP A 20 14.258 42.004 70.297 1.00 42.22 C ATOM 318 CG ASP A 20 14.107 41.345 68.941 1.00 22.23 C ATOM 319 OD1 ASP A 20 13.072 41.576 68.281 1.00 2.03 O ATOM 320 OD2 ASP A 20 15.022 40.597 68.538 1.00 4.42 O ATOM 0 H ASP A 20 12.455 43.440 69.417 1.00 30.52 H new ATOM 0 HA ASP A 20 12.404 41.210 71.032 1.00 2.45 H new ATOM 0 HB2 ASP A 20 14.724 42.981 70.173 1.00 42.22 H new ATOM 0 HB3 ASP A 20 14.929 41.407 70.915 1.00 42.22 H new ATOM 325 N GLY A 21 13.555 43.872 72.626 1.00 63.34 N ATOM 326 CA GLY A 21 13.810 44.399 73.953 1.00 53.23 C ATOM 327 C GLY A 21 14.326 45.825 73.923 1.00 4.52 C ATOM 328 O GLY A 21 14.947 46.247 72.946 1.00 33.55 O ATOM 0 H GLY A 21 13.706 44.535 71.865 1.00 63.34 H new ATOM 0 HA2 GLY A 21 12.891 44.361 74.538 1.00 53.23 H new ATOM 0 HA3 GLY A 21 14.537 43.764 74.459 1.00 53.23 H new ATOM 332 N LEU A 22 14.070 46.568 74.993 1.00 34.54 N ATOM 333 CA LEU A 22 14.510 47.955 75.085 1.00 65.55 C ATOM 334 C LEU A 22 14.641 48.391 76.541 1.00 40.30 C ATOM 335 O LEU A 22 13.725 48.196 77.341 1.00 53.11 O ATOM 336 CB LEU A 22 13.531 48.873 74.352 1.00 13.03 C ATOM 337 CG LEU A 22 13.912 49.258 72.922 1.00 25.24 C ATOM 338 CD1 LEU A 22 12.993 48.572 71.922 1.00 60.23 C ATOM 339 CD2 LEU A 22 13.863 50.768 72.745 1.00 51.40 C ATOM 0 H LEU A 22 13.559 46.233 75.810 1.00 34.54 H new ATOM 0 HA LEU A 22 15.490 48.030 74.613 1.00 65.55 H new ATOM 0 HB2 LEU A 22 12.556 48.386 74.328 1.00 13.03 H new ATOM 0 HB3 LEU A 22 13.416 49.787 74.934 1.00 13.03 H new ATOM 0 HG LEU A 22 14.933 48.924 72.736 1.00 25.24 H new ATOM 0 HD11 LEU A 22 13.279 48.858 70.910 1.00 60.23 H new ATOM 0 HD12 LEU A 22 13.078 47.491 72.032 1.00 60.23 H new ATOM 0 HD13 LEU A 22 11.963 48.875 72.107 1.00 60.23 H new ATOM 0 HD21 LEU A 22 14.137 51.023 71.721 1.00 51.40 H new ATOM 0 HD22 LEU A 22 12.854 51.126 72.951 1.00 51.40 H new ATOM 0 HD23 LEU A 22 14.563 51.238 73.436 1.00 51.40 H new ATOM 351 N ARG A 23 15.783 48.981 76.877 1.00 32.51 N ATOM 352 CA ARG A 23 16.031 49.445 78.236 1.00 45.55 C ATOM 353 C ARG A 23 15.716 50.931 78.370 1.00 33.12 C ATOM 354 O ARG A 23 15.050 51.352 79.317 1.00 42.41 O ATOM 355 CB ARG A 23 17.488 49.185 78.628 1.00 44.32 C ATOM 356 CG ARG A 23 17.860 49.741 79.992 1.00 53.53 C ATOM 357 CD ARG A 23 18.768 50.956 79.871 1.00 1.12 C ATOM 358 NE ARG A 23 20.004 50.794 80.632 1.00 32.44 N ATOM 359 CZ ARG A 23 20.065 50.868 81.957 1.00 21.00 C ATOM 360 NH1 ARG A 23 18.967 51.099 82.663 1.00 5.52 N ATOM 361 NH2 ARG A 23 21.228 50.710 82.578 1.00 21.12 N ATOM 0 H ARG A 23 16.551 49.149 76.227 1.00 32.51 H new ATOM 0 HA ARG A 23 15.375 48.890 78.907 1.00 45.55 H new ATOM 0 HB2 ARG A 23 17.671 48.111 78.621 1.00 44.32 H new ATOM 0 HB3 ARG A 23 18.142 49.625 77.875 1.00 44.32 H new ATOM 0 HG2 ARG A 23 16.955 50.015 80.534 1.00 53.53 H new ATOM 0 HG3 ARG A 23 18.360 48.969 80.577 1.00 53.53 H new ATOM 0 HD2 ARG A 23 19.008 51.126 78.821 1.00 1.12 H new ATOM 0 HD3 ARG A 23 18.238 51.841 80.224 1.00 1.12 H new ATOM 0 HE ARG A 23 20.867 50.614 80.118 1.00 32.44 H new ATOM 0 HH11 ARG A 23 18.072 51.220 82.189 1.00 5.52 H new ATOM 0 HH12 ARG A 23 19.017 51.155 83.680 1.00 5.52 H new ATOM 0 HH21 ARG A 23 22.075 50.532 82.038 1.00 21.12 H new ATOM 0 HH22 ARG A 23 21.275 50.767 83.595 1.00 21.12 H new ATOM 449 N GLN A 30 4.412 53.004 75.933 1.00 42.11 N ATOM 450 CA GLN A 30 5.135 52.062 75.087 1.00 53.23 C ATOM 451 C GLN A 30 5.923 52.795 74.006 1.00 35.12 C ATOM 452 O GLN A 30 5.343 53.409 73.111 1.00 65.42 O ATOM 453 CB GLN A 30 4.164 51.071 74.444 1.00 70.30 C ATOM 454 CG GLN A 30 4.210 49.684 75.063 1.00 53.55 C ATOM 455 CD GLN A 30 4.058 49.714 76.572 1.00 2.02 C ATOM 456 OE1 GLN A 30 3.596 50.703 77.141 1.00 34.13 O ATOM 457 NE2 GLN A 30 4.446 48.626 77.228 1.00 64.14 N ATOM 0 HA GLN A 30 5.838 51.514 75.715 1.00 53.23 H new ATOM 0 HB2 GLN A 30 3.150 51.463 74.527 1.00 70.30 H new ATOM 0 HB3 GLN A 30 4.390 50.993 73.380 1.00 70.30 H new ATOM 0 HG2 GLN A 30 3.417 49.072 74.634 1.00 53.55 H new ATOM 0 HG3 GLN A 30 5.156 49.207 74.806 1.00 53.55 H new ATOM 0 HE21 GLN A 30 4.823 47.829 76.716 1.00 64.14 H new ATOM 0 HE22 GLN A 30 4.366 48.588 78.244 1.00 64.14 H new ATOM 466 N GLY A 31 7.248 52.727 74.096 1.00 74.10 N ATOM 467 CA GLY A 31 8.093 53.389 73.119 1.00 14.21 C ATOM 468 C GLY A 31 8.083 52.690 71.776 1.00 25.43 C ATOM 469 O GLY A 31 8.436 53.284 70.756 1.00 12.41 O ATOM 0 H GLY A 31 7.751 52.225 74.828 1.00 74.10 H new ATOM 0 HA2 GLY A 31 7.758 54.418 72.992 1.00 14.21 H new ATOM 0 HA3 GLY A 31 9.115 53.431 73.496 1.00 14.21 H new ATOM 473 N ASP A 32 7.678 51.425 71.771 1.00 5.21 N ATOM 474 CA ASP A 32 7.625 50.643 70.541 1.00 32.24 C ATOM 475 C ASP A 32 6.609 51.230 69.567 1.00 75.34 C ATOM 476 O ASP A 32 6.917 51.470 68.400 1.00 41.35 O ATOM 477 CB ASP A 32 7.269 49.188 70.852 1.00 3.40 C ATOM 478 CG ASP A 32 6.111 49.069 71.822 1.00 52.24 C ATOM 479 OD1 ASP A 32 6.209 49.631 72.934 1.00 31.34 O ATOM 480 OD2 ASP A 32 5.107 48.414 71.472 1.00 51.03 O ATOM 0 H ASP A 32 7.381 50.919 72.605 1.00 5.21 H new ATOM 0 HA ASP A 32 8.610 50.677 70.075 1.00 32.24 H new ATOM 0 HB2 ASP A 32 7.017 48.673 69.925 1.00 3.40 H new ATOM 0 HB3 ASP A 32 8.141 48.685 71.269 1.00 3.40 H new ATOM 485 N VAL A 33 5.393 51.461 70.056 1.00 24.13 N ATOM 486 CA VAL A 33 4.331 52.021 69.229 1.00 10.14 C ATOM 487 C VAL A 33 4.426 53.541 69.168 1.00 31.41 C ATOM 488 O VAL A 33 4.140 54.151 68.137 1.00 73.45 O ATOM 489 CB VAL A 33 2.940 51.625 69.758 1.00 60.24 C ATOM 490 CG1 VAL A 33 2.783 50.113 69.767 1.00 11.14 C ATOM 491 CG2 VAL A 33 2.716 52.202 71.148 1.00 12.25 C ATOM 0 H VAL A 33 5.120 51.269 71.020 1.00 24.13 H new ATOM 0 HA VAL A 33 4.460 51.611 68.227 1.00 10.14 H new ATOM 0 HB VAL A 33 2.184 52.040 69.091 1.00 60.24 H new ATOM 0 HG11 VAL A 33 1.794 49.852 70.144 1.00 11.14 H new ATOM 0 HG12 VAL A 33 2.898 49.729 68.753 1.00 11.14 H new ATOM 0 HG13 VAL A 33 3.544 49.672 70.410 1.00 11.14 H new ATOM 0 HG21 VAL A 33 1.728 51.913 71.507 1.00 12.25 H new ATOM 0 HG22 VAL A 33 3.476 51.818 71.828 1.00 12.25 H new ATOM 0 HG23 VAL A 33 2.783 53.289 71.106 1.00 12.25 H new ATOM 501 N LYS A 34 4.830 54.149 70.278 1.00 11.44 N ATOM 502 CA LYS A 34 4.965 55.598 70.353 1.00 30.10 C ATOM 503 C LYS A 34 5.616 56.149 69.088 1.00 53.33 C ATOM 504 O LYS A 34 5.337 57.274 68.674 1.00 30.33 O ATOM 505 CB LYS A 34 5.791 55.992 71.579 1.00 44.21 C ATOM 506 CG LYS A 34 6.227 57.447 71.578 1.00 65.41 C ATOM 507 CD LYS A 34 7.409 57.676 72.504 1.00 74.00 C ATOM 508 CE LYS A 34 8.475 58.539 71.846 1.00 30.31 C ATOM 509 NZ LYS A 34 8.955 57.947 70.567 1.00 5.42 N ATOM 0 H LYS A 34 5.070 53.659 71.140 1.00 11.44 H new ATOM 0 HA LYS A 34 3.967 56.027 70.444 1.00 30.10 H new ATOM 0 HB2 LYS A 34 5.206 55.797 72.478 1.00 44.21 H new ATOM 0 HB3 LYS A 34 6.675 55.357 71.630 1.00 44.21 H new ATOM 0 HG2 LYS A 34 6.494 57.747 70.565 1.00 65.41 H new ATOM 0 HG3 LYS A 34 5.394 58.078 71.888 1.00 65.41 H new ATOM 0 HD2 LYS A 34 7.066 58.156 73.421 1.00 74.00 H new ATOM 0 HD3 LYS A 34 7.841 56.716 72.788 1.00 74.00 H new ATOM 0 HE2 LYS A 34 8.071 59.534 71.657 1.00 30.31 H new ATOM 0 HE3 LYS A 34 9.316 58.661 72.528 1.00 30.31 H new ATOM 0 HZ1 LYS A 34 9.946 58.219 70.409 1.00 5.42 H new ATOM 0 HZ2 LYS A 34 8.884 56.911 70.616 1.00 5.42 H new ATOM 0 HZ3 LYS A 34 8.371 58.298 69.781 1.00 5.42 H new ATOM 523 N VAL A 35 6.486 55.350 68.479 1.00 15.43 N ATOM 524 CA VAL A 35 7.176 55.757 67.261 1.00 1.14 C ATOM 525 C VAL A 35 6.382 55.359 66.022 1.00 43.20 C ATOM 526 O VAL A 35 6.513 55.975 64.964 1.00 34.10 O ATOM 527 CB VAL A 35 8.583 55.136 67.178 1.00 21.53 C ATOM 528 CG1 VAL A 35 9.273 55.194 68.532 1.00 10.41 C ATOM 529 CG2 VAL A 35 8.503 53.703 66.672 1.00 31.12 C ATOM 0 H VAL A 35 6.730 54.416 68.810 1.00 15.43 H new ATOM 0 HA VAL A 35 7.269 56.842 67.297 1.00 1.14 H new ATOM 0 HB VAL A 35 9.176 55.715 66.470 1.00 21.53 H new ATOM 0 HG11 VAL A 35 10.266 54.751 68.454 1.00 10.41 H new ATOM 0 HG12 VAL A 35 9.363 56.233 68.850 1.00 10.41 H new ATOM 0 HG13 VAL A 35 8.685 54.640 69.264 1.00 10.41 H new ATOM 0 HG21 VAL A 35 9.506 53.279 66.619 1.00 31.12 H new ATOM 0 HG22 VAL A 35 7.894 53.110 67.354 1.00 31.12 H new ATOM 0 HG23 VAL A 35 8.052 53.692 65.680 1.00 31.12 H new ATOM 539 N TRP A 36 5.560 54.326 66.160 1.00 33.25 N ATOM 540 CA TRP A 36 4.743 53.845 65.050 1.00 52.23 C ATOM 541 C TRP A 36 4.074 55.007 64.324 1.00 4.03 C ATOM 542 O TRP A 36 3.667 54.876 63.170 1.00 61.51 O ATOM 543 CB TRP A 36 3.683 52.866 65.557 1.00 40.10 C ATOM 544 CG TRP A 36 2.291 53.418 65.506 1.00 70.32 C ATOM 545 CD1 TRP A 36 1.678 54.185 66.456 1.00 44.33 C ATOM 546 CD2 TRP A 36 1.338 53.245 64.452 1.00 63.43 C ATOM 547 NE1 TRP A 36 0.402 54.499 66.056 1.00 73.13 N ATOM 548 CE2 TRP A 36 0.169 53.935 64.829 1.00 63.13 C ATOM 549 CE3 TRP A 36 1.359 52.577 63.224 1.00 53.15 C ATOM 550 CZ2 TRP A 36 -0.965 53.974 64.023 1.00 11.11 C ATOM 551 CZ3 TRP A 36 0.232 52.616 62.426 1.00 15.31 C ATOM 552 CH2 TRP A 36 -0.917 53.310 62.827 1.00 54.12 C ATOM 0 H TRP A 36 5.441 53.805 67.029 1.00 33.25 H new ATOM 0 HA TRP A 36 5.397 53.329 64.347 1.00 52.23 H new ATOM 0 HB2 TRP A 36 3.726 51.954 64.961 1.00 40.10 H new ATOM 0 HB3 TRP A 36 3.918 52.587 66.584 1.00 40.10 H new ATOM 0 HD1 TRP A 36 2.130 54.498 67.385 1.00 44.33 H new ATOM 0 HE1 TRP A 36 -0.264 55.061 66.586 1.00 73.13 H new ATOM 0 HE3 TRP A 36 2.240 52.040 62.905 1.00 53.15 H new ATOM 0 HZ2 TRP A 36 -1.851 54.509 64.330 1.00 11.11 H new ATOM 0 HZ3 TRP A 36 0.237 52.102 61.476 1.00 15.31 H new ATOM 0 HH2 TRP A 36 -1.782 53.321 62.180 1.00 54.12 H new ATOM 563 N MET A 37 3.964 56.141 65.006 1.00 53.15 N ATOM 564 CA MET A 37 3.345 57.326 64.423 1.00 31.20 C ATOM 565 C MET A 37 4.373 58.158 63.663 1.00 51.31 C ATOM 566 O MET A 37 4.260 58.344 62.452 1.00 63.14 O ATOM 567 CB MET A 37 2.692 58.175 65.515 1.00 33.44 C ATOM 568 CG MET A 37 1.245 58.538 65.218 1.00 11.34 C ATOM 569 SD MET A 37 0.229 58.616 66.706 1.00 64.14 S ATOM 570 CE MET A 37 0.643 57.056 67.481 1.00 32.14 C ATOM 0 H MET A 37 4.295 56.265 65.963 1.00 53.15 H new ATOM 0 HA MET A 37 2.579 56.997 63.721 1.00 31.20 H new ATOM 0 HB2 MET A 37 2.736 57.633 66.460 1.00 33.44 H new ATOM 0 HB3 MET A 37 3.269 59.091 65.645 1.00 33.44 H new ATOM 0 HG2 MET A 37 1.213 59.502 64.710 1.00 11.34 H new ATOM 0 HG3 MET A 37 0.823 57.803 64.533 1.00 11.34 H new ATOM 0 HE1 MET A 37 -0.272 56.515 67.721 1.00 32.14 H new ATOM 0 HE2 MET A 37 1.249 56.460 66.798 1.00 32.14 H new ATOM 0 HE3 MET A 37 1.205 57.242 68.396 1.00 32.14 H new ATOM 580 N GLN A 38 5.374 58.656 64.382 1.00 32.14 N ATOM 581 CA GLN A 38 6.421 59.469 63.774 1.00 35.31 C ATOM 582 C GLN A 38 7.035 58.757 62.574 1.00 24.34 C ATOM 583 O GLN A 38 7.541 59.396 61.653 1.00 64.42 O ATOM 584 CB GLN A 38 7.507 59.792 64.802 1.00 32.02 C ATOM 585 CG GLN A 38 8.424 58.618 65.105 1.00 52.13 C ATOM 586 CD GLN A 38 9.866 59.041 65.306 1.00 14.22 C ATOM 587 OE1 GLN A 38 10.311 59.258 66.434 1.00 1.25 O ATOM 588 NE2 GLN A 38 10.605 59.161 64.210 1.00 71.35 N ATOM 0 H GLN A 38 5.482 58.511 65.386 1.00 32.14 H new ATOM 0 HA GLN A 38 5.970 60.399 63.429 1.00 35.31 H new ATOM 0 HB2 GLN A 38 8.106 60.626 64.436 1.00 32.02 H new ATOM 0 HB3 GLN A 38 7.034 60.121 65.727 1.00 32.02 H new ATOM 0 HG2 GLN A 38 8.071 58.108 66.001 1.00 52.13 H new ATOM 0 HG3 GLN A 38 8.371 57.900 64.287 1.00 52.13 H new ATOM 0 HE21 GLN A 38 10.195 58.971 63.295 1.00 71.35 H new ATOM 0 HE22 GLN A 38 11.583 59.443 64.282 1.00 71.35 H new ATOM 597 N ASN A 39 6.986 57.429 62.592 1.00 60.41 N ATOM 598 CA ASN A 39 7.539 56.630 61.504 1.00 4.31 C ATOM 599 C ASN A 39 6.785 56.886 60.203 1.00 31.32 C ATOM 600 O ASN A 39 7.383 57.238 59.185 1.00 1.14 O ATOM 601 CB ASN A 39 7.480 55.142 61.857 1.00 3.01 C ATOM 602 CG ASN A 39 8.795 54.626 62.408 1.00 5.23 C ATOM 603 OD1 ASN A 39 9.861 55.160 62.102 1.00 4.24 O ATOM 604 ND2 ASN A 39 8.725 53.581 63.224 1.00 24.24 N ATOM 0 H ASN A 39 6.570 56.884 63.347 1.00 60.41 H new ATOM 0 HA ASN A 39 8.579 56.923 61.363 1.00 4.31 H new ATOM 0 HB2 ASN A 39 6.692 54.977 62.591 1.00 3.01 H new ATOM 0 HB3 ASN A 39 7.213 54.571 60.968 1.00 3.01 H new ATOM 0 HD21 ASN A 39 9.577 53.189 63.625 1.00 24.24 H new ATOM 0 HD22 ASN A 39 7.819 53.170 63.450 1.00 24.24 H new ATOM 611 N LEU A 40 5.470 56.707 60.243 1.00 20.23 N ATOM 612 CA LEU A 40 4.632 56.919 59.067 1.00 70.12 C ATOM 613 C LEU A 40 4.293 58.397 58.900 1.00 3.31 C ATOM 614 O LEU A 40 3.904 58.835 57.818 1.00 61.43 O ATOM 615 CB LEU A 40 3.347 56.097 59.177 1.00 75.05 C ATOM 616 CG LEU A 40 3.277 55.114 60.345 1.00 15.44 C ATOM 617 CD1 LEU A 40 1.962 54.349 60.321 1.00 63.45 C ATOM 618 CD2 LEU A 40 4.455 54.153 60.304 1.00 52.31 C ATOM 0 H LEU A 40 4.960 56.415 61.077 1.00 20.23 H new ATOM 0 HA LEU A 40 5.190 56.592 58.189 1.00 70.12 H new ATOM 0 HB2 LEU A 40 2.505 56.785 59.256 1.00 75.05 H new ATOM 0 HB3 LEU A 40 3.216 55.539 58.250 1.00 75.05 H new ATOM 0 HG LEU A 40 3.328 55.680 61.275 1.00 15.44 H new ATOM 0 HD11 LEU A 40 1.930 53.654 61.160 1.00 63.45 H new ATOM 0 HD12 LEU A 40 1.131 55.051 60.399 1.00 63.45 H new ATOM 0 HD13 LEU A 40 1.881 53.794 59.387 1.00 63.45 H new ATOM 0 HD21 LEU A 40 4.389 53.460 61.143 1.00 52.31 H new ATOM 0 HD22 LEU A 40 4.436 53.593 59.369 1.00 52.31 H new ATOM 0 HD23 LEU A 40 5.386 54.716 60.371 1.00 52.31 H new ATOM 630 N GLU A 41 4.445 59.159 59.978 1.00 73.23 N ATOM 631 CA GLU A 41 4.155 60.589 59.950 1.00 3.35 C ATOM 632 C GLU A 41 4.707 61.230 58.679 1.00 13.05 C ATOM 633 O GLU A 41 4.247 62.290 58.257 1.00 71.30 O ATOM 634 CB GLU A 41 4.749 61.276 61.181 1.00 1.11 C ATOM 635 CG GLU A 41 4.097 62.610 61.506 1.00 43.43 C ATOM 636 CD GLU A 41 5.089 63.757 61.512 1.00 54.43 C ATOM 637 OE1 GLU A 41 6.304 63.491 61.615 1.00 41.11 O ATOM 638 OE2 GLU A 41 4.648 64.922 61.414 1.00 5.34 O ATOM 0 H GLU A 41 4.767 58.811 60.881 1.00 73.23 H new ATOM 0 HA GLU A 41 3.072 60.716 59.960 1.00 3.35 H new ATOM 0 HB2 GLU A 41 4.649 60.613 62.040 1.00 1.11 H new ATOM 0 HB3 GLU A 41 5.816 61.432 61.021 1.00 1.11 H new ATOM 0 HG2 GLU A 41 3.314 62.815 60.776 1.00 43.43 H new ATOM 0 HG3 GLU A 41 3.614 62.547 62.481 1.00 43.43 H new ATOM 645 N ASP A 42 5.695 60.579 58.076 1.00 41.35 N ATOM 646 CA ASP A 42 6.310 61.085 56.855 1.00 4.40 C ATOM 647 C ASP A 42 5.463 60.735 55.635 1.00 34.42 C ATOM 648 O ASP A 42 5.074 61.613 54.863 1.00 51.13 O ATOM 649 CB ASP A 42 7.719 60.512 56.693 1.00 43.43 C ATOM 650 CG ASP A 42 8.726 61.562 56.266 1.00 34.14 C ATOM 651 OD1 ASP A 42 8.865 61.788 55.046 1.00 62.55 O ATOM 652 OD2 ASP A 42 9.373 62.158 57.152 1.00 5.41 O ATOM 0 H ASP A 42 6.087 59.700 58.413 1.00 41.35 H new ATOM 0 HA ASP A 42 6.374 62.170 56.932 1.00 4.40 H new ATOM 0 HB2 ASP A 42 8.038 60.069 57.636 1.00 43.43 H new ATOM 0 HB3 ASP A 42 7.699 59.710 55.955 1.00 43.43 H new ATOM 657 N LEU A 43 5.180 59.448 55.467 1.00 42.02 N ATOM 658 CA LEU A 43 4.378 58.982 54.340 1.00 44.42 C ATOM 659 C LEU A 43 2.907 59.333 54.536 1.00 2.32 C ATOM 660 O LEU A 43 2.124 59.320 53.586 1.00 55.42 O ATOM 661 CB LEU A 43 4.536 57.470 54.168 1.00 44.20 C ATOM 662 CG LEU A 43 4.275 56.924 52.764 1.00 43.20 C ATOM 663 CD1 LEU A 43 4.424 58.025 51.726 1.00 52.40 C ATOM 664 CD2 LEU A 43 5.217 55.769 52.458 1.00 45.11 C ATOM 0 H LEU A 43 5.493 58.709 56.096 1.00 42.02 H new ATOM 0 HA LEU A 43 4.734 59.483 53.440 1.00 44.42 H new ATOM 0 HB2 LEU A 43 5.549 57.195 54.461 1.00 44.20 H new ATOM 0 HB3 LEU A 43 3.858 56.973 54.862 1.00 44.20 H new ATOM 0 HG LEU A 43 3.251 56.552 52.724 1.00 43.20 H new ATOM 0 HD11 LEU A 43 4.234 57.617 50.733 1.00 52.40 H new ATOM 0 HD12 LEU A 43 3.708 58.820 51.934 1.00 52.40 H new ATOM 0 HD13 LEU A 43 5.436 58.428 51.766 1.00 52.40 H new ATOM 0 HD21 LEU A 43 5.017 55.393 51.455 1.00 45.11 H new ATOM 0 HD22 LEU A 43 6.249 56.116 52.517 1.00 45.11 H new ATOM 0 HD23 LEU A 43 5.061 54.970 53.183 1.00 45.11 H new ATOM 676 N HIS A 44 2.539 59.647 55.774 1.00 4.45 N ATOM 677 CA HIS A 44 1.162 60.004 56.094 1.00 73.24 C ATOM 678 C HIS A 44 0.590 60.958 55.049 1.00 4.41 C ATOM 679 O HIS A 44 -0.524 60.767 54.562 1.00 42.12 O ATOM 680 CB HIS A 44 1.088 60.644 57.481 1.00 61.30 C ATOM 681 CG HIS A 44 -0.244 60.482 58.145 1.00 71.22 C ATOM 682 ND1 HIS A 44 -0.393 59.976 59.419 1.00 31.25 N ATOM 683 CD2 HIS A 44 -1.494 60.765 57.706 1.00 43.43 C ATOM 684 CE1 HIS A 44 -1.676 59.952 59.734 1.00 73.34 C ATOM 685 NE2 HIS A 44 -2.365 60.426 58.712 1.00 61.44 N ATOM 0 H HIS A 44 3.175 59.661 56.571 1.00 4.45 H new ATOM 0 HA HIS A 44 0.566 59.091 56.091 1.00 73.24 H new ATOM 0 HB2 HIS A 44 1.857 60.205 58.116 1.00 61.30 H new ATOM 0 HB3 HIS A 44 1.315 61.707 57.394 1.00 61.30 H new ATOM 0 HD2 HIS A 44 -1.757 61.180 56.744 1.00 43.43 H new ATOM 0 HE1 HIS A 44 -2.091 59.604 60.668 1.00 73.34 H new ATOM 0 HE2 HIS A 44 -3.380 60.524 58.676 1.00 61.44 H new ATOM 693 N THR A 45 1.362 61.986 54.710 1.00 25.43 N ATOM 694 CA THR A 45 0.932 62.970 53.724 1.00 53.05 C ATOM 695 C THR A 45 0.253 62.299 52.536 1.00 34.41 C ATOM 696 O THR A 45 -0.628 62.881 51.903 1.00 61.34 O ATOM 697 CB THR A 45 2.119 63.810 53.215 1.00 64.52 C ATOM 698 OG1 THR A 45 2.728 64.510 54.306 1.00 73.42 O ATOM 699 CG2 THR A 45 1.665 64.804 52.157 1.00 33.11 C ATOM 0 H THR A 45 2.287 62.159 55.103 1.00 25.43 H new ATOM 0 HA THR A 45 0.219 63.626 54.223 1.00 53.05 H new ATOM 0 HB THR A 45 2.847 63.134 52.766 1.00 64.52 H new ATOM 0 HG1 THR A 45 3.483 65.040 53.974 1.00 73.42 H new ATOM 0 HG21 THR A 45 2.520 65.385 51.813 1.00 33.11 H new ATOM 0 HG22 THR A 45 1.230 64.266 51.315 1.00 33.11 H new ATOM 0 HG23 THR A 45 0.919 65.474 52.584 1.00 33.11 H new ATOM 707 N ARG A 46 0.666 61.072 52.241 1.00 3.14 N ATOM 708 CA ARG A 46 0.096 60.321 51.127 1.00 15.32 C ATOM 709 C ARG A 46 -0.610 59.063 51.625 1.00 72.10 C ATOM 710 O ARG A 46 -1.806 58.881 51.400 1.00 51.11 O ATOM 711 CB ARG A 46 1.189 59.943 50.127 1.00 64.41 C ATOM 712 CG ARG A 46 0.972 60.524 48.739 1.00 61.24 C ATOM 713 CD ARG A 46 2.259 61.096 48.166 1.00 13.40 C ATOM 714 NE ARG A 46 2.150 61.363 46.735 1.00 74.45 N ATOM 715 CZ ARG A 46 2.983 62.157 46.070 1.00 33.34 C ATOM 716 NH1 ARG A 46 3.981 62.757 46.704 1.00 13.30 N ATOM 717 NH2 ARG A 46 2.818 62.352 44.768 1.00 32.32 N ATOM 0 H ARG A 46 1.393 60.576 52.757 1.00 3.14 H new ATOM 0 HA ARG A 46 -0.637 60.956 50.630 1.00 15.32 H new ATOM 0 HB2 ARG A 46 2.152 60.284 50.508 1.00 64.41 H new ATOM 0 HB3 ARG A 46 1.242 58.857 50.053 1.00 64.41 H new ATOM 0 HG2 ARG A 46 0.590 59.749 48.075 1.00 61.24 H new ATOM 0 HG3 ARG A 46 0.214 61.306 48.785 1.00 61.24 H new ATOM 0 HD2 ARG A 46 2.510 62.019 48.689 1.00 13.40 H new ATOM 0 HD3 ARG A 46 3.077 60.397 48.343 1.00 13.40 H new ATOM 0 HE ARG A 46 1.393 60.916 46.217 1.00 74.45 H new ATOM 0 HH11 ARG A 46 4.111 62.610 47.705 1.00 13.30 H new ATOM 0 HH12 ARG A 46 4.619 63.366 46.191 1.00 13.30 H new ATOM 0 HH21 ARG A 46 2.051 61.892 44.277 1.00 32.32 H new ATOM 0 HH22 ARG A 46 3.458 62.962 44.258 1.00 32.32 H new ATOM 731 N ARG A 47 0.140 58.198 52.300 1.00 53.14 N ATOM 732 CA ARG A 47 -0.414 56.956 52.828 1.00 62.43 C ATOM 733 C ARG A 47 0.421 56.444 53.998 1.00 4.15 C ATOM 734 O ARG A 47 1.515 55.907 53.824 1.00 12.41 O ATOM 735 CB ARG A 47 -0.477 55.895 51.729 1.00 10.22 C ATOM 736 CG ARG A 47 -1.776 55.105 51.719 1.00 15.23 C ATOM 737 CD ARG A 47 -2.837 55.789 50.871 1.00 53.32 C ATOM 738 NE ARG A 47 -4.027 54.957 50.707 1.00 41.24 N ATOM 739 CZ ARG A 47 -4.916 55.130 49.736 1.00 71.01 C ATOM 740 NH1 ARG A 47 -4.750 56.100 48.846 1.00 12.44 N ATOM 741 NH2 ARG A 47 -5.972 54.332 49.652 1.00 54.20 N ATOM 0 H ARG A 47 1.132 58.334 52.494 1.00 53.14 H new ATOM 0 HA ARG A 47 -1.423 57.159 53.186 1.00 62.43 H new ATOM 0 HB2 ARG A 47 -0.348 56.379 50.761 1.00 10.22 H new ATOM 0 HB3 ARG A 47 0.357 55.205 51.854 1.00 10.22 H new ATOM 0 HG2 ARG A 47 -1.591 54.103 51.333 1.00 15.23 H new ATOM 0 HG3 ARG A 47 -2.142 54.991 52.739 1.00 15.23 H new ATOM 0 HD2 ARG A 47 -3.117 56.735 51.334 1.00 53.32 H new ATOM 0 HD3 ARG A 47 -2.422 56.025 49.891 1.00 53.32 H new ATOM 0 HE ARG A 47 -4.183 54.202 51.375 1.00 41.24 H new ATOM 0 HH11 ARG A 47 -3.938 56.715 48.907 1.00 12.44 H new ATOM 0 HH12 ARG A 47 -5.434 56.231 48.101 1.00 12.44 H new ATOM 0 HH21 ARG A 47 -6.102 53.584 50.334 1.00 54.20 H new ATOM 0 HH22 ARG A 47 -6.654 54.466 48.906 1.00 54.20 H new ATOM 755 N PRO A 48 -0.106 56.612 55.220 1.00 21.33 N ATOM 756 CA PRO A 48 0.572 56.173 56.443 1.00 23.12 C ATOM 757 C PRO A 48 0.620 54.654 56.566 1.00 60.02 C ATOM 758 O PRO A 48 1.637 54.085 56.963 1.00 44.24 O ATOM 759 CB PRO A 48 -0.286 56.773 57.560 1.00 61.14 C ATOM 760 CG PRO A 48 -1.638 56.933 56.955 1.00 41.05 C ATOM 761 CD PRO A 48 -1.406 57.244 55.502 1.00 30.41 C ATOM 0 HA PRO A 48 1.614 56.493 56.468 1.00 23.12 H new ATOM 0 HB2 PRO A 48 -0.317 56.118 58.431 1.00 61.14 H new ATOM 0 HB3 PRO A 48 0.113 57.730 57.895 1.00 61.14 H new ATOM 0 HG2 PRO A 48 -2.227 56.023 57.070 1.00 41.05 H new ATOM 0 HG3 PRO A 48 -2.191 57.736 57.443 1.00 41.05 H new ATOM 0 HD2 PRO A 48 -2.196 56.835 54.873 1.00 30.41 H new ATOM 0 HD3 PRO A 48 -1.378 58.318 55.321 1.00 30.41 H new ATOM 769 N ASP A 49 -0.486 54.003 56.222 1.00 14.33 N ATOM 770 CA ASP A 49 -0.570 52.548 56.294 1.00 64.31 C ATOM 771 C ASP A 49 0.533 51.899 55.462 1.00 54.44 C ATOM 772 O ASP A 49 0.853 50.725 55.647 1.00 34.01 O ATOM 773 CB ASP A 49 -1.939 52.071 55.807 1.00 11.20 C ATOM 774 CG ASP A 49 -2.060 50.560 55.813 1.00 24.44 C ATOM 775 OD1 ASP A 49 -1.444 49.913 54.941 1.00 24.14 O ATOM 776 OD2 ASP A 49 -2.773 50.024 56.689 1.00 63.53 O ATOM 0 H ASP A 49 -1.336 54.459 55.891 1.00 14.33 H new ATOM 0 HA ASP A 49 -0.439 52.252 57.335 1.00 64.31 H new ATOM 0 HB2 ASP A 49 -2.716 52.498 56.441 1.00 11.20 H new ATOM 0 HB3 ASP A 49 -2.112 52.443 54.797 1.00 11.20 H new ATOM 781 N GLU A 50 1.111 52.672 54.548 1.00 60.51 N ATOM 782 CA GLU A 50 2.176 52.171 53.688 1.00 22.05 C ATOM 783 C GLU A 50 3.512 52.163 54.426 1.00 41.15 C ATOM 784 O GLU A 50 4.169 51.127 54.531 1.00 63.24 O ATOM 785 CB GLU A 50 2.286 53.025 52.423 1.00 14.43 C ATOM 786 CG GLU A 50 1.090 52.892 51.494 1.00 1.42 C ATOM 787 CD GLU A 50 0.875 51.468 51.019 1.00 65.24 C ATOM 788 OE1 GLU A 50 1.836 50.867 50.493 1.00 52.31 O ATOM 789 OE2 GLU A 50 -0.252 50.955 51.173 1.00 75.11 O ATOM 0 H GLU A 50 0.860 53.647 54.384 1.00 60.51 H new ATOM 0 HA GLU A 50 1.929 51.147 53.406 1.00 22.05 H new ATOM 0 HB2 GLU A 50 2.399 54.071 52.709 1.00 14.43 H new ATOM 0 HB3 GLU A 50 3.189 52.743 51.882 1.00 14.43 H new ATOM 0 HG2 GLU A 50 0.194 53.238 52.010 1.00 1.42 H new ATOM 0 HG3 GLU A 50 1.232 53.542 50.630 1.00 1.42 H new ATOM 796 N PHE A 51 3.907 53.325 54.935 1.00 64.25 N ATOM 797 CA PHE A 51 5.166 53.453 55.661 1.00 35.02 C ATOM 798 C PHE A 51 5.237 52.447 56.806 1.00 52.02 C ATOM 799 O PHE A 51 6.314 52.159 57.330 1.00 2.20 O ATOM 800 CB PHE A 51 5.321 54.875 56.206 1.00 3.31 C ATOM 801 CG PHE A 51 6.734 55.221 56.581 1.00 71.11 C ATOM 802 CD1 PHE A 51 7.230 54.900 57.835 1.00 62.31 C ATOM 803 CD2 PHE A 51 7.565 55.867 55.681 1.00 31.11 C ATOM 804 CE1 PHE A 51 8.529 55.218 58.183 1.00 62.23 C ATOM 805 CE2 PHE A 51 8.865 56.187 56.023 1.00 61.25 C ATOM 806 CZ PHE A 51 9.348 55.861 57.275 1.00 74.15 C ATOM 0 H PHE A 51 3.374 54.191 54.858 1.00 64.25 H new ATOM 0 HA PHE A 51 5.981 53.246 54.967 1.00 35.02 H new ATOM 0 HB2 PHE A 51 4.968 55.584 55.457 1.00 3.31 H new ATOM 0 HB3 PHE A 51 4.682 54.992 57.081 1.00 3.31 H new ATOM 0 HD1 PHE A 51 6.594 54.396 58.548 1.00 62.31 H new ATOM 0 HD2 PHE A 51 7.193 56.124 54.700 1.00 31.11 H new ATOM 0 HE1 PHE A 51 8.904 54.964 59.164 1.00 62.23 H new ATOM 0 HE2 PHE A 51 9.503 56.691 55.312 1.00 61.25 H new ATOM 0 HZ PHE A 51 10.364 56.108 57.544 1.00 74.15 H new ATOM 816 N THR A 52 4.081 51.914 57.191 1.00 74.30 N ATOM 817 CA THR A 52 4.011 50.942 58.274 1.00 13.11 C ATOM 818 C THR A 52 5.196 49.984 58.231 1.00 21.04 C ATOM 819 O THR A 52 5.583 49.413 59.249 1.00 52.34 O ATOM 820 CB THR A 52 2.704 50.128 58.215 1.00 50.15 C ATOM 821 OG1 THR A 52 2.644 49.387 56.991 1.00 73.21 O ATOM 822 CG2 THR A 52 1.493 51.042 58.323 1.00 65.31 C ATOM 0 H THR A 52 3.181 52.140 56.768 1.00 74.30 H new ATOM 0 HA THR A 52 4.037 51.506 59.207 1.00 13.11 H new ATOM 0 HB THR A 52 2.693 49.437 59.058 1.00 50.15 H new ATOM 0 HG1 THR A 52 2.063 49.853 56.354 1.00 73.21 H new ATOM 0 HG21 THR A 52 0.582 50.445 58.279 1.00 65.31 H new ATOM 0 HG22 THR A 52 1.528 51.582 59.269 1.00 65.31 H new ATOM 0 HG23 THR A 52 1.500 51.755 57.498 1.00 65.31 H new ATOM 830 N ALA A 53 5.768 49.811 57.043 1.00 54.11 N ATOM 831 CA ALA A 53 6.910 48.923 56.867 1.00 74.15 C ATOM 832 C ALA A 53 8.000 49.222 57.892 1.00 11.23 C ATOM 833 O ALA A 53 8.878 48.394 58.138 1.00 31.34 O ATOM 834 CB ALA A 53 7.464 49.049 55.456 1.00 23.44 C ATOM 0 H ALA A 53 5.459 50.274 56.189 1.00 54.11 H new ATOM 0 HA ALA A 53 6.570 47.899 57.023 1.00 74.15 H new ATOM 0 HB1 ALA A 53 8.317 48.380 55.339 1.00 23.44 H new ATOM 0 HB2 ALA A 53 6.691 48.781 54.736 1.00 23.44 H new ATOM 0 HB3 ALA A 53 7.782 50.077 55.280 1.00 23.44 H new ATOM 840 N ARG A 54 7.937 50.408 58.487 1.00 65.20 N ATOM 841 CA ARG A 54 8.920 50.815 59.484 1.00 73.00 C ATOM 842 C ARG A 54 8.627 50.167 60.834 1.00 5.15 C ATOM 843 O ARG A 54 9.398 49.336 61.316 1.00 63.53 O ATOM 844 CB ARG A 54 8.929 52.339 59.630 1.00 42.30 C ATOM 845 CG ARG A 54 10.297 52.910 59.966 1.00 13.14 C ATOM 846 CD ARG A 54 11.221 52.890 58.759 1.00 32.11 C ATOM 847 NE ARG A 54 11.773 54.212 58.470 1.00 33.04 N ATOM 848 CZ ARG A 54 12.568 54.874 59.303 1.00 12.25 C ATOM 849 NH1 ARG A 54 12.903 54.341 60.470 1.00 4.10 N ATOM 850 NH2 ARG A 54 13.029 56.072 58.970 1.00 64.42 N ATOM 0 H ARG A 54 7.216 51.104 58.296 1.00 65.20 H new ATOM 0 HA ARG A 54 9.901 50.482 59.146 1.00 73.00 H new ATOM 0 HB2 ARG A 54 8.576 52.787 58.701 1.00 42.30 H new ATOM 0 HB3 ARG A 54 8.224 52.625 60.410 1.00 42.30 H new ATOM 0 HG2 ARG A 54 10.187 53.933 60.324 1.00 13.14 H new ATOM 0 HG3 ARG A 54 10.743 52.334 60.777 1.00 13.14 H new ATOM 0 HD2 ARG A 54 12.036 52.188 58.938 1.00 32.11 H new ATOM 0 HD3 ARG A 54 10.673 52.528 57.889 1.00 32.11 H new ATOM 0 HE ARG A 54 11.535 54.650 57.580 1.00 33.04 H new ATOM 0 HH11 ARG A 54 12.550 53.420 60.730 1.00 4.10 H new ATOM 0 HH12 ARG A 54 13.514 54.852 61.107 1.00 4.10 H new ATOM 0 HH21 ARG A 54 12.773 56.486 58.074 1.00 64.42 H new ATOM 0 HH22 ARG A 54 13.639 56.580 59.610 1.00 64.42 H new ATOM 864 N LEU A 55 7.508 50.550 61.438 1.00 71.31 N ATOM 865 CA LEU A 55 7.112 50.006 62.732 1.00 52.42 C ATOM 866 C LEU A 55 6.773 48.523 62.619 1.00 13.25 C ATOM 867 O LEU A 55 6.850 47.783 63.599 1.00 41.31 O ATOM 868 CB LEU A 55 5.911 50.775 63.285 1.00 1.23 C ATOM 869 CG LEU A 55 4.533 50.225 62.914 1.00 11.53 C ATOM 870 CD1 LEU A 55 4.376 50.150 61.404 1.00 42.21 C ATOM 871 CD2 LEU A 55 4.320 48.855 63.542 1.00 50.34 C ATOM 0 H LEU A 55 6.858 51.235 61.052 1.00 71.31 H new ATOM 0 HA LEU A 55 7.953 50.116 63.417 1.00 52.42 H new ATOM 0 HB2 LEU A 55 5.990 50.799 64.372 1.00 1.23 H new ATOM 0 HB3 LEU A 55 5.974 51.806 62.938 1.00 1.23 H new ATOM 0 HG LEU A 55 3.775 50.905 63.304 1.00 11.53 H new ATOM 0 HD11 LEU A 55 3.389 49.756 61.160 1.00 42.21 H new ATOM 0 HD12 LEU A 55 4.485 51.147 60.977 1.00 42.21 H new ATOM 0 HD13 LEU A 55 5.141 49.493 60.991 1.00 42.21 H new ATOM 0 HD21 LEU A 55 3.335 48.478 63.268 1.00 50.34 H new ATOM 0 HD22 LEU A 55 5.085 48.167 63.182 1.00 50.34 H new ATOM 0 HD23 LEU A 55 4.388 48.937 64.627 1.00 50.34 H new ATOM 883 N GLN A 56 6.399 48.098 61.417 1.00 23.15 N ATOM 884 CA GLN A 56 6.050 46.702 61.176 1.00 65.42 C ATOM 885 C GLN A 56 7.168 45.774 61.638 1.00 2.20 C ATOM 886 O GLN A 56 6.921 44.622 61.998 1.00 41.13 O ATOM 887 CB GLN A 56 5.764 46.476 59.690 1.00 23.01 C ATOM 888 CG GLN A 56 5.531 45.016 59.331 1.00 73.33 C ATOM 889 CD GLN A 56 5.811 44.723 57.870 1.00 72.31 C ATOM 890 OE1 GLN A 56 6.963 44.701 57.439 1.00 54.15 O ATOM 891 NE2 GLN A 56 4.753 44.496 57.099 1.00 51.42 N ATOM 0 H GLN A 56 6.330 48.699 60.596 1.00 23.15 H new ATOM 0 HA GLN A 56 5.153 46.473 61.751 1.00 65.42 H new ATOM 0 HB2 GLN A 56 4.886 47.056 59.405 1.00 23.01 H new ATOM 0 HB3 GLN A 56 6.602 46.856 59.105 1.00 23.01 H new ATOM 0 HG2 GLN A 56 6.168 44.387 59.953 1.00 73.33 H new ATOM 0 HG3 GLN A 56 4.499 44.750 59.560 1.00 73.33 H new ATOM 0 HE21 GLN A 56 3.815 44.524 57.499 1.00 51.42 H new ATOM 0 HE22 GLN A 56 4.879 44.293 56.107 1.00 51.42 H new ATOM 900 N GLN A 57 8.396 46.281 61.624 1.00 53.34 N ATOM 901 CA GLN A 57 9.551 45.496 62.042 1.00 52.03 C ATOM 902 C GLN A 57 9.439 45.100 63.510 1.00 14.04 C ATOM 903 O GLN A 57 9.805 43.989 63.894 1.00 21.12 O ATOM 904 CB GLN A 57 10.841 46.286 61.812 1.00 11.23 C ATOM 905 CG GLN A 57 11.219 46.419 60.346 1.00 63.52 C ATOM 906 CD GLN A 57 12.107 45.288 59.865 1.00 54.20 C ATOM 907 OE1 GLN A 57 13.121 44.974 60.488 1.00 45.02 O ATOM 908 NE2 GLN A 57 11.728 44.669 58.753 1.00 42.40 N ATOM 0 H GLN A 57 8.617 47.232 61.328 1.00 53.34 H new ATOM 0 HA GLN A 57 9.577 44.587 61.441 1.00 52.03 H new ATOM 0 HB2 GLN A 57 10.729 47.281 62.242 1.00 11.23 H new ATOM 0 HB3 GLN A 57 11.656 45.798 62.346 1.00 11.23 H new ATOM 0 HG2 GLN A 57 10.312 46.445 59.742 1.00 63.52 H new ATOM 0 HG3 GLN A 57 11.732 47.368 60.192 1.00 63.52 H new ATOM 0 HE21 GLN A 57 10.880 44.963 58.269 1.00 42.40 H new ATOM 0 HE22 GLN A 57 12.285 43.899 58.383 1.00 42.40 H new ATOM 917 N SER A 58 8.930 46.016 64.328 1.00 55.13 N ATOM 918 CA SER A 58 8.774 45.764 65.756 1.00 75.51 C ATOM 919 C SER A 58 7.503 44.965 66.030 1.00 52.23 C ATOM 920 O SER A 58 7.557 43.846 66.542 1.00 52.20 O ATOM 921 CB SER A 58 8.736 47.085 66.528 1.00 32.55 C ATOM 922 OG SER A 58 10.043 47.522 66.855 1.00 62.31 O ATOM 0 H SER A 58 8.619 46.939 64.026 1.00 55.13 H new ATOM 0 HA SER A 58 9.630 45.180 66.093 1.00 75.51 H new ATOM 0 HB2 SER A 58 8.234 47.845 65.930 1.00 32.55 H new ATOM 0 HB3 SER A 58 8.152 46.960 67.440 1.00 32.55 H new ATOM 0 HG SER A 58 9.992 48.368 67.346 1.00 62.31 H new ATOM 928 N THR A 59 6.359 45.548 65.686 1.00 12.12 N ATOM 929 CA THR A 59 5.075 44.893 65.896 1.00 31.32 C ATOM 930 C THR A 59 5.133 43.425 65.488 1.00 31.05 C ATOM 931 O THR A 59 4.329 42.612 65.945 1.00 23.14 O ATOM 932 CB THR A 59 3.952 45.589 65.103 1.00 70.13 C ATOM 933 OG1 THR A 59 2.674 45.188 65.607 1.00 52.34 O ATOM 934 CG2 THR A 59 4.047 45.254 63.622 1.00 75.11 C ATOM 0 H THR A 59 6.296 46.473 65.261 1.00 12.12 H new ATOM 0 HA THR A 59 4.856 44.964 66.961 1.00 31.32 H new ATOM 0 HB THR A 59 4.067 46.666 65.224 1.00 70.13 H new ATOM 0 HG1 THR A 59 1.966 45.636 65.098 1.00 52.34 H new ATOM 0 HG21 THR A 59 3.244 45.757 63.083 1.00 75.11 H new ATOM 0 HG22 THR A 59 5.009 45.589 63.234 1.00 75.11 H new ATOM 0 HG23 THR A 59 3.956 44.176 63.486 1.00 75.11 H new ATOM 942 N ASP A 60 6.088 43.093 64.627 1.00 3.34 N ATOM 943 CA ASP A 60 6.253 41.721 64.159 1.00 53.20 C ATOM 944 C ASP A 60 6.388 40.759 65.335 1.00 3.43 C ATOM 945 O ASP A 60 5.641 39.787 65.443 1.00 63.21 O ATOM 946 CB ASP A 60 7.479 41.613 63.251 1.00 51.44 C ATOM 947 CG ASP A 60 7.134 41.088 61.872 1.00 31.13 C ATOM 948 OD1 ASP A 60 6.244 41.674 61.219 1.00 71.43 O ATOM 949 OD2 ASP A 60 7.752 40.092 61.444 1.00 61.03 O ATOM 0 H ASP A 60 6.760 43.755 64.239 1.00 3.34 H new ATOM 0 HA ASP A 60 5.365 41.448 63.590 1.00 53.20 H new ATOM 0 HB2 ASP A 60 7.945 42.594 63.157 1.00 51.44 H new ATOM 0 HB3 ASP A 60 8.213 40.954 63.714 1.00 51.44 H new ATOM 954 N ALA A 61 7.348 41.036 66.212 1.00 33.35 N ATOM 955 CA ALA A 61 7.580 40.195 67.380 1.00 41.44 C ATOM 956 C ALA A 61 6.274 39.892 68.108 1.00 65.35 C ATOM 957 O ALA A 61 5.963 38.734 68.390 1.00 63.42 O ATOM 958 CB ALA A 61 8.569 40.864 68.323 1.00 44.10 C ATOM 0 H ALA A 61 7.977 41.835 66.136 1.00 33.35 H new ATOM 0 HA ALA A 61 8.002 39.250 67.038 1.00 41.44 H new ATOM 0 HB1 ALA A 61 8.733 40.225 69.191 1.00 44.10 H new ATOM 0 HB2 ALA A 61 9.515 41.023 67.805 1.00 44.10 H new ATOM 0 HB3 ALA A 61 8.168 41.824 68.649 1.00 44.10 H new ATOM 964 N LEU A 62 5.515 40.939 68.411 1.00 24.40 N ATOM 965 CA LEU A 62 4.243 40.786 69.107 1.00 60.11 C ATOM 966 C LEU A 62 3.258 39.977 68.270 1.00 23.43 C ATOM 967 O LEU A 62 2.665 39.010 68.750 1.00 72.42 O ATOM 968 CB LEU A 62 3.648 42.157 69.432 1.00 14.11 C ATOM 969 CG LEU A 62 2.463 42.163 70.399 1.00 52.22 C ATOM 970 CD1 LEU A 62 2.455 43.438 71.226 1.00 74.14 C ATOM 971 CD2 LEU A 62 1.153 42.009 69.639 1.00 42.34 C ATOM 0 H LEU A 62 5.759 41.903 68.185 1.00 24.40 H new ATOM 0 HA LEU A 62 4.429 40.248 70.037 1.00 60.11 H new ATOM 0 HB2 LEU A 62 4.436 42.783 69.851 1.00 14.11 H new ATOM 0 HB3 LEU A 62 3.332 42.624 68.499 1.00 14.11 H new ATOM 0 HG LEU A 62 2.568 41.316 71.077 1.00 52.22 H new ATOM 0 HD11 LEU A 62 1.605 43.424 71.908 1.00 74.14 H new ATOM 0 HD12 LEU A 62 3.379 43.505 71.800 1.00 74.14 H new ATOM 0 HD13 LEU A 62 2.375 44.300 70.564 1.00 74.14 H new ATOM 0 HD21 LEU A 62 0.321 42.015 70.343 1.00 42.34 H new ATOM 0 HD22 LEU A 62 1.040 42.835 68.937 1.00 42.34 H new ATOM 0 HD23 LEU A 62 1.158 41.066 69.092 1.00 42.34 H new ATOM 983 N TYR A 63 3.089 40.378 67.013 1.00 15.32 N ATOM 984 CA TYR A 63 2.176 39.691 66.108 1.00 13.22 C ATOM 985 C TYR A 63 2.404 38.183 66.145 1.00 42.45 C ATOM 986 O TYR A 63 1.489 37.412 66.436 1.00 63.15 O ATOM 987 CB TYR A 63 2.353 40.210 64.680 1.00 12.51 C ATOM 988 CG TYR A 63 1.175 41.015 64.178 1.00 12.53 C ATOM 989 CD1 TYR A 63 0.107 40.396 63.540 1.00 62.12 C ATOM 990 CD2 TYR A 63 1.130 42.394 64.345 1.00 61.32 C ATOM 991 CE1 TYR A 63 -0.970 41.128 63.080 1.00 30.24 C ATOM 992 CE2 TYR A 63 0.055 43.133 63.889 1.00 65.12 C ATOM 993 CZ TYR A 63 -0.992 42.496 63.256 1.00 1.52 C ATOM 994 OH TYR A 63 -2.064 43.228 62.800 1.00 3.30 O ATOM 0 H TYR A 63 3.573 41.175 66.599 1.00 15.32 H new ATOM 0 HA TYR A 63 1.157 39.894 66.438 1.00 13.22 H new ATOM 0 HB2 TYR A 63 3.250 40.828 64.635 1.00 12.51 H new ATOM 0 HB3 TYR A 63 2.515 39.364 64.012 1.00 12.51 H new ATOM 0 HD1 TYR A 63 0.119 39.325 63.402 1.00 62.12 H new ATOM 0 HD2 TYR A 63 1.948 42.896 64.839 1.00 61.32 H new ATOM 0 HE1 TYR A 63 -1.791 40.632 62.585 1.00 30.24 H new ATOM 0 HE2 TYR A 63 0.035 44.204 64.028 1.00 65.12 H new ATOM 0 HH TYR A 63 -2.592 42.683 62.179 1.00 3.30 H new ATOM 1004 N SER A 64 3.633 37.770 65.848 1.00 33.54 N ATOM 1005 CA SER A 64 3.982 36.354 65.843 1.00 52.45 C ATOM 1006 C SER A 64 3.969 35.787 67.259 1.00 43.32 C ATOM 1007 O SER A 64 3.580 34.639 67.477 1.00 12.04 O ATOM 1008 CB SER A 64 5.361 36.150 65.213 1.00 31.14 C ATOM 1009 OG SER A 64 5.262 35.439 63.991 1.00 63.14 O ATOM 0 H SER A 64 4.402 38.395 65.608 1.00 33.54 H new ATOM 0 HA SER A 64 3.237 35.823 65.250 1.00 52.45 H new ATOM 0 HB2 SER A 64 5.831 37.118 65.038 1.00 31.14 H new ATOM 0 HB3 SER A 64 6.003 35.604 65.904 1.00 31.14 H new ATOM 0 HG SER A 64 6.156 35.323 63.607 1.00 63.14 H new ATOM 1015 N HIS A 65 4.399 36.599 68.219 1.00 53.53 N ATOM 1016 CA HIS A 65 4.437 36.180 69.616 1.00 5.11 C ATOM 1017 C HIS A 65 3.088 35.614 70.051 1.00 60.45 C ATOM 1018 O HIS A 65 2.975 34.435 70.384 1.00 25.15 O ATOM 1019 CB HIS A 65 4.824 37.355 70.514 1.00 22.01 C ATOM 1020 CG HIS A 65 4.650 37.076 71.975 1.00 3.41 C ATOM 1021 ND1 HIS A 65 3.879 37.861 72.805 1.00 51.24 N ATOM 1022 CD2 HIS A 65 5.153 36.089 72.754 1.00 23.22 C ATOM 1023 CE1 HIS A 65 3.916 37.371 74.031 1.00 52.50 C ATOM 1024 NE2 HIS A 65 4.682 36.295 74.026 1.00 51.52 N ATOM 0 H HIS A 65 4.726 37.551 68.055 1.00 53.53 H new ATOM 0 HA HIS A 65 5.188 35.396 69.713 1.00 5.11 H new ATOM 0 HB2 HIS A 65 5.864 37.619 70.324 1.00 22.01 H new ATOM 0 HB3 HIS A 65 4.221 38.222 70.244 1.00 22.01 H new ATOM 0 HD2 HIS A 65 5.804 35.289 72.434 1.00 23.22 H new ATOM 0 HE1 HIS A 65 3.407 37.780 74.891 1.00 52.50 H new ATOM 0 HE2 HIS A 65 4.890 35.712 74.837 1.00 51.52 H new ATOM 1032 N LEU A 66 2.067 36.465 70.046 1.00 1.22 N ATOM 1033 CA LEU A 66 0.725 36.051 70.440 1.00 51.34 C ATOM 1034 C LEU A 66 0.310 34.780 69.707 1.00 32.34 C ATOM 1035 O LEU A 66 -0.055 33.784 70.331 1.00 44.41 O ATOM 1036 CB LEU A 66 -0.279 37.169 70.155 1.00 72.44 C ATOM 1037 CG LEU A 66 -1.473 37.259 71.106 1.00 51.22 C ATOM 1038 CD1 LEU A 66 -1.134 38.129 72.307 1.00 31.04 C ATOM 1039 CD2 LEU A 66 -2.695 37.802 70.379 1.00 3.12 C ATOM 0 H LEU A 66 2.143 37.445 69.774 1.00 1.22 H new ATOM 0 HA LEU A 66 0.735 35.844 71.510 1.00 51.34 H new ATOM 0 HB2 LEU A 66 0.251 38.121 70.179 1.00 72.44 H new ATOM 0 HB3 LEU A 66 -0.657 37.040 69.141 1.00 72.44 H new ATOM 0 HG LEU A 66 -1.705 36.256 71.464 1.00 51.22 H new ATOM 0 HD11 LEU A 66 -1.995 38.182 72.973 1.00 31.04 H new ATOM 0 HD12 LEU A 66 -0.288 37.697 72.842 1.00 31.04 H new ATOM 0 HD13 LEU A 66 -0.876 39.132 71.968 1.00 31.04 H new ATOM 0 HD21 LEU A 66 -3.535 37.859 71.071 1.00 3.12 H new ATOM 0 HD22 LEU A 66 -2.476 38.797 69.992 1.00 3.12 H new ATOM 0 HD23 LEU A 66 -2.951 37.139 69.552 1.00 3.12 H new ATOM 1051 N GLU A 67 0.370 34.821 68.380 1.00 63.11 N ATOM 1052 CA GLU A 67 0.001 33.671 67.563 1.00 62.22 C ATOM 1053 C GLU A 67 0.930 32.491 67.833 1.00 42.33 C ATOM 1054 O GLU A 67 0.607 31.347 67.515 1.00 40.02 O ATOM 1055 CB GLU A 67 0.043 34.038 66.078 1.00 63.11 C ATOM 1056 CG GLU A 67 -0.966 33.279 65.234 1.00 33.33 C ATOM 1057 CD GLU A 67 -0.429 32.921 63.862 1.00 70.42 C ATOM 1058 OE1 GLU A 67 0.224 33.784 63.238 1.00 54.14 O ATOM 1059 OE2 GLU A 67 -0.663 31.781 63.411 1.00 11.41 O ATOM 0 H GLU A 67 0.670 35.638 67.848 1.00 63.11 H new ATOM 0 HA GLU A 67 -1.015 33.379 67.829 1.00 62.22 H new ATOM 0 HB2 GLU A 67 -0.139 35.107 65.972 1.00 63.11 H new ATOM 0 HB3 GLU A 67 1.044 33.845 65.693 1.00 63.11 H new ATOM 0 HG2 GLU A 67 -1.257 32.367 65.755 1.00 33.33 H new ATOM 0 HG3 GLU A 67 -1.867 33.883 65.121 1.00 33.33 H new ATOM 1066 N ALA A 68 2.087 32.779 68.421 1.00 41.31 N ATOM 1067 CA ALA A 68 3.063 31.743 68.735 1.00 33.11 C ATOM 1068 C ALA A 68 2.726 31.054 70.053 1.00 2.22 C ATOM 1069 O ALA A 68 2.490 29.846 70.089 1.00 63.03 O ATOM 1070 CB ALA A 68 4.463 32.336 68.791 1.00 72.12 C ATOM 0 H ALA A 68 2.371 33.721 68.689 1.00 41.31 H new ATOM 0 HA ALA A 68 3.029 30.994 67.944 1.00 33.11 H new ATOM 0 HB1 ALA A 68 5.182 31.551 69.026 1.00 72.12 H new ATOM 0 HB2 ALA A 68 4.710 32.777 67.825 1.00 72.12 H new ATOM 0 HB3 ALA A 68 4.501 33.106 69.562 1.00 72.12 H new ATOM 1076 N GLN A 69 2.706 31.828 71.133 1.00 0.44 N ATOM 1077 CA GLN A 69 2.398 31.289 72.453 1.00 24.33 C ATOM 1078 C GLN A 69 0.895 31.300 72.708 1.00 52.23 C ATOM 1079 O GLN A 69 0.297 30.263 73.000 1.00 44.03 O ATOM 1080 CB GLN A 69 3.118 32.096 73.536 1.00 4.22 C ATOM 1081 CG GLN A 69 3.480 31.276 74.764 1.00 71.04 C ATOM 1082 CD GLN A 69 2.657 31.651 75.979 1.00 52.42 C ATOM 1083 OE1 GLN A 69 2.460 32.832 76.270 1.00 10.34 O ATOM 1084 NE2 GLN A 69 2.170 30.647 76.699 1.00 41.13 N ATOM 0 H GLN A 69 2.899 32.829 71.120 1.00 0.44 H new ATOM 0 HA GLN A 69 2.746 30.256 72.487 1.00 24.33 H new ATOM 0 HB2 GLN A 69 4.027 32.525 73.114 1.00 4.22 H new ATOM 0 HB3 GLN A 69 2.484 32.929 73.839 1.00 4.22 H new ATOM 0 HG2 GLN A 69 3.336 30.218 74.545 1.00 71.04 H new ATOM 0 HG3 GLN A 69 4.537 31.414 74.990 1.00 71.04 H new ATOM 0 HE21 GLN A 69 2.357 29.683 76.422 1.00 41.13 H new ATOM 0 HE22 GLN A 69 1.609 30.840 77.529 1.00 41.13 H new ATOM 1093 N TRP A 70 0.290 32.478 72.599 1.00 5.33 N ATOM 1094 CA TRP A 70 -1.144 32.622 72.819 1.00 13.55 C ATOM 1095 C TRP A 70 -1.923 31.550 72.064 1.00 51.23 C ATOM 1096 O TRP A 70 -3.020 31.167 72.467 1.00 74.11 O ATOM 1097 CB TRP A 70 -1.611 34.011 72.382 1.00 64.41 C ATOM 1098 CG TRP A 70 -2.644 34.605 73.291 1.00 61.21 C ATOM 1099 CD1 TRP A 70 -3.963 34.816 73.006 1.00 65.43 C ATOM 1100 CD2 TRP A 70 -2.443 35.066 74.631 1.00 41.22 C ATOM 1101 NE1 TRP A 70 -4.593 35.380 74.088 1.00 71.24 N ATOM 1102 CE2 TRP A 70 -3.683 35.543 75.099 1.00 70.20 C ATOM 1103 CE3 TRP A 70 -1.336 35.121 75.483 1.00 31.41 C ATOM 1104 CZ2 TRP A 70 -3.844 36.068 76.378 1.00 3.53 C ATOM 1105 CZ3 TRP A 70 -1.498 35.642 76.752 1.00 53.22 C ATOM 1106 CH2 TRP A 70 -2.744 36.109 77.190 1.00 1.41 C ATOM 0 H TRP A 70 0.770 33.346 72.360 1.00 5.33 H new ATOM 0 HA TRP A 70 -1.336 32.500 73.885 1.00 13.55 H new ATOM 0 HB2 TRP A 70 -0.750 34.678 72.337 1.00 64.41 H new ATOM 0 HB3 TRP A 70 -2.018 33.948 71.373 1.00 64.41 H new ATOM 0 HD1 TRP A 70 -4.440 34.575 72.068 1.00 65.43 H new ATOM 0 HE1 TRP A 70 -5.579 35.636 74.132 1.00 71.24 H new ATOM 0 HE3 TRP A 70 -0.371 34.763 75.155 1.00 31.41 H new ATOM 0 HZ2 TRP A 70 -4.803 36.430 76.717 1.00 3.53 H new ATOM 0 HZ3 TRP A 70 -0.649 35.690 77.418 1.00 53.22 H new ATOM 0 HH2 TRP A 70 -2.838 36.509 78.189 1.00 1.41 H new ATOM 1117 N ALA A 71 -1.346 31.069 70.967 1.00 72.12 N ATOM 1118 CA ALA A 71 -1.985 30.039 70.158 1.00 33.33 C ATOM 1119 C ALA A 71 -2.236 28.776 70.974 1.00 23.01 C ATOM 1120 O ALA A 71 -3.284 28.142 70.850 1.00 2.10 O ATOM 1121 CB ALA A 71 -1.132 29.722 68.938 1.00 71.31 C ATOM 0 H ALA A 71 -0.438 31.376 70.619 1.00 72.12 H new ATOM 0 HA ALA A 71 -2.950 30.421 69.824 1.00 33.33 H new ATOM 0 HB1 ALA A 71 -1.621 28.951 68.342 1.00 71.31 H new ATOM 0 HB2 ALA A 71 -1.009 30.622 68.336 1.00 71.31 H new ATOM 0 HB3 ALA A 71 -0.154 29.365 69.261 1.00 71.31 H new ATOM 1127 N LYS A 72 -1.268 28.415 71.809 1.00 3.04 N ATOM 1128 CA LYS A 72 -1.383 27.228 72.647 1.00 5.45 C ATOM 1129 C LYS A 72 -2.768 27.139 73.279 1.00 71.30 C ATOM 1130 O LYS A 72 -3.225 26.057 73.645 1.00 22.25 O ATOM 1131 CB LYS A 72 -0.312 27.244 73.740 1.00 3.03 C ATOM 1132 CG LYS A 72 0.489 25.955 73.827 1.00 33.42 C ATOM 1133 CD LYS A 72 1.681 25.975 72.885 1.00 70.32 C ATOM 1134 CE LYS A 72 2.772 26.908 73.388 1.00 63.01 C ATOM 1135 NZ LYS A 72 4.129 26.315 73.222 1.00 34.34 N ATOM 0 H LYS A 72 -0.394 28.928 71.923 1.00 3.04 H new ATOM 0 HA LYS A 72 -1.235 26.353 72.015 1.00 5.45 H new ATOM 0 HB2 LYS A 72 0.370 28.074 73.556 1.00 3.03 H new ATOM 0 HB3 LYS A 72 -0.789 27.431 74.702 1.00 3.03 H new ATOM 0 HG2 LYS A 72 0.835 25.809 74.850 1.00 33.42 H new ATOM 0 HG3 LYS A 72 -0.154 25.109 73.584 1.00 33.42 H new ATOM 0 HD2 LYS A 72 2.082 24.967 72.782 1.00 70.32 H new ATOM 0 HD3 LYS A 72 1.358 26.292 71.894 1.00 70.32 H new ATOM 0 HE2 LYS A 72 2.720 27.853 72.847 1.00 63.01 H new ATOM 0 HE3 LYS A 72 2.600 27.133 74.441 1.00 63.01 H new ATOM 0 HZ1 LYS A 72 4.845 26.981 73.576 1.00 34.34 H new ATOM 0 HZ2 LYS A 72 4.187 25.426 73.759 1.00 34.34 H new ATOM 0 HZ3 LYS A 72 4.303 26.123 72.215 1.00 34.34 H new ATOM 1149 N GLN A 73 -3.431 28.284 73.402 1.00 75.53 N ATOM 1150 CA GLN A 73 -4.766 28.336 73.989 1.00 44.44 C ATOM 1151 C GLN A 73 -5.695 27.331 73.317 1.00 40.42 C ATOM 1152 O GLN A 73 -6.222 26.427 73.966 1.00 12.23 O ATOM 1153 CB GLN A 73 -5.345 29.745 73.868 1.00 74.33 C ATOM 1154 CG GLN A 73 -4.716 30.747 74.823 1.00 23.22 C ATOM 1155 CD GLN A 73 -5.668 31.187 75.917 1.00 42.45 C ATOM 1156 OE1 GLN A 73 -6.873 31.306 75.697 1.00 41.13 O ATOM 1157 NE2 GLN A 73 -5.130 31.432 77.107 1.00 61.44 N ATOM 0 H GLN A 73 -3.066 29.188 73.103 1.00 75.53 H new ATOM 0 HA GLN A 73 -4.682 28.076 75.044 1.00 44.44 H new ATOM 0 HB2 GLN A 73 -5.211 30.097 72.845 1.00 74.33 H new ATOM 0 HB3 GLN A 73 -6.418 29.705 74.053 1.00 74.33 H new ATOM 0 HG2 GLN A 73 -3.829 30.304 75.275 1.00 23.22 H new ATOM 0 HG3 GLN A 73 -4.385 31.621 74.261 1.00 23.22 H new ATOM 0 HE21 GLN A 73 -4.126 31.320 77.245 1.00 61.44 H new ATOM 0 HE22 GLN A 73 -5.721 31.732 77.882 1.00 61.44 H new ATOM 1166 N HIS A 74 -5.890 27.495 72.012 1.00 13.35 N ATOM 1167 CA HIS A 74 -6.757 26.601 71.253 1.00 23.41 C ATOM 1168 C HIS A 74 -6.098 26.195 69.937 1.00 14.10 C ATOM 1169 O HIS A 74 -6.064 25.015 69.586 1.00 74.25 O ATOM 1170 CB HIS A 74 -8.102 27.273 70.976 1.00 64.51 C ATOM 1171 CG HIS A 74 -9.150 26.958 71.999 1.00 22.42 C ATOM 1172 ND1 HIS A 74 -10.057 25.929 71.854 1.00 61.13 N ATOM 1173 CD2 HIS A 74 -9.432 27.542 73.186 1.00 50.14 C ATOM 1174 CE1 HIS A 74 -10.852 25.895 72.908 1.00 74.03 C ATOM 1175 NE2 HIS A 74 -10.494 26.863 73.732 1.00 54.23 N ATOM 0 H HIS A 74 -5.460 28.237 71.459 1.00 13.35 H new ATOM 0 HA HIS A 74 -6.924 25.704 71.849 1.00 23.41 H new ATOM 0 HB2 HIS A 74 -7.958 28.353 70.936 1.00 64.51 H new ATOM 0 HB3 HIS A 74 -8.459 26.962 69.994 1.00 64.51 H new ATOM 0 HD2 HIS A 74 -8.918 28.385 73.623 1.00 50.14 H new ATOM 0 HE1 HIS A 74 -11.658 25.194 73.069 1.00 74.03 H new ATOM 0 HE2 HIS A 74 -10.934 27.072 74.628 1.00 54.23 H new ATOM 1183 N GLY A 75 -5.576 27.181 69.213 1.00 33.05 N ATOM 1184 CA GLY A 75 -4.927 26.905 67.944 1.00 54.51 C ATOM 1185 C GLY A 75 -5.850 27.122 66.762 1.00 23.03 C ATOM 1186 O GLY A 75 -5.393 27.353 65.641 1.00 11.12 O ATOM 0 H GLY A 75 -5.591 28.165 69.482 1.00 33.05 H new ATOM 0 HA2 GLY A 75 -4.052 27.546 67.840 1.00 54.51 H new ATOM 0 HA3 GLY A 75 -4.570 25.875 67.938 1.00 54.51 H new ATOM 1190 N THR A 76 -7.154 27.044 67.009 1.00 61.42 N ATOM 1191 CA THR A 76 -8.144 27.231 65.955 1.00 22.11 C ATOM 1192 C THR A 76 -8.495 28.704 65.784 1.00 74.33 C ATOM 1193 O THR A 76 -8.443 29.256 64.685 1.00 64.30 O ATOM 1194 CB THR A 76 -9.432 26.438 66.247 1.00 55.20 C ATOM 1195 OG1 THR A 76 -10.531 27.339 66.426 1.00 70.13 O ATOM 1196 CG2 THR A 76 -9.268 25.579 67.492 1.00 50.12 C ATOM 0 H THR A 76 -7.549 26.853 67.930 1.00 61.42 H new ATOM 0 HA THR A 76 -7.698 26.858 65.033 1.00 22.11 H new ATOM 0 HB THR A 76 -9.631 25.785 65.397 1.00 55.20 H new ATOM 0 HG1 THR A 76 -11.347 26.828 66.610 1.00 70.13 H new ATOM 0 HG21 THR A 76 -10.190 25.028 67.678 1.00 50.12 H new ATOM 0 HG22 THR A 76 -8.449 24.875 67.343 1.00 50.12 H new ATOM 0 HG23 THR A 76 -9.047 26.217 68.348 1.00 50.12 H new ATOM 1204 N PRO A 77 -8.861 29.359 66.896 1.00 63.13 N ATOM 1205 CA PRO A 77 -9.226 30.779 66.895 1.00 22.05 C ATOM 1206 C PRO A 77 -8.027 31.686 66.637 1.00 12.21 C ATOM 1207 O PRO A 77 -8.158 32.797 66.125 1.00 33.42 O ATOM 1208 CB PRO A 77 -9.774 31.005 68.306 1.00 3.31 C ATOM 1209 CG PRO A 77 -9.121 29.957 69.139 1.00 74.22 C ATOM 1210 CD PRO A 77 -8.944 28.764 68.240 1.00 32.25 C ATOM 0 HA PRO A 77 -9.937 31.017 66.104 1.00 22.05 H new ATOM 0 HB2 PRO A 77 -9.534 32.005 68.668 1.00 3.31 H new ATOM 0 HB3 PRO A 77 -10.860 30.909 68.329 1.00 3.31 H new ATOM 0 HG2 PRO A 77 -8.161 30.304 69.521 1.00 74.22 H new ATOM 0 HG3 PRO A 77 -9.736 29.706 70.003 1.00 74.22 H new ATOM 0 HD2 PRO A 77 -8.042 28.204 68.488 1.00 32.25 H new ATOM 0 HD3 PRO A 77 -9.782 28.071 68.322 1.00 32.25 H new ATOM 1218 N PRO A 78 -6.830 31.202 66.999 1.00 22.30 N ATOM 1219 CA PRO A 78 -5.585 31.953 66.814 1.00 52.34 C ATOM 1220 C PRO A 78 -5.197 32.083 65.346 1.00 73.32 C ATOM 1221 O PRO A 78 -4.679 31.143 64.744 1.00 23.45 O ATOM 1222 CB PRO A 78 -4.550 31.114 67.568 1.00 51.30 C ATOM 1223 CG PRO A 78 -5.105 29.731 67.560 1.00 64.22 C ATOM 1224 CD PRO A 78 -6.599 29.885 67.614 1.00 44.31 C ATOM 0 HA PRO A 78 -5.670 32.978 67.176 1.00 52.34 H new ATOM 0 HB2 PRO A 78 -3.577 31.153 67.079 1.00 51.30 H new ATOM 0 HB3 PRO A 78 -4.410 31.479 68.586 1.00 51.30 H new ATOM 0 HG2 PRO A 78 -4.800 29.193 66.662 1.00 64.22 H new ATOM 0 HG3 PRO A 78 -4.740 29.159 68.413 1.00 64.22 H new ATOM 0 HD2 PRO A 78 -7.105 29.091 67.065 1.00 44.31 H new ATOM 0 HD3 PRO A 78 -6.970 29.850 68.638 1.00 44.31 H new ATOM 1232 N THR A 79 -5.452 33.256 64.773 1.00 30.13 N ATOM 1233 CA THR A 79 -5.131 33.509 63.374 1.00 31.35 C ATOM 1234 C THR A 79 -5.015 35.004 63.098 1.00 41.11 C ATOM 1235 O THR A 79 -5.437 35.829 63.908 1.00 43.32 O ATOM 1236 CB THR A 79 -6.195 32.907 62.436 1.00 41.24 C ATOM 1237 OG1 THR A 79 -5.689 32.848 61.097 1.00 42.11 O ATOM 1238 CG2 THR A 79 -7.472 33.732 62.466 1.00 25.51 C ATOM 0 H THR A 79 -5.880 34.045 65.257 1.00 30.13 H new ATOM 0 HA THR A 79 -4.171 33.030 63.178 1.00 31.35 H new ATOM 0 HB THR A 79 -6.425 31.899 62.782 1.00 41.24 H new ATOM 0 HG1 THR A 79 -6.370 32.463 60.507 1.00 42.11 H new ATOM 0 HG21 THR A 79 -8.208 33.288 61.796 1.00 25.51 H new ATOM 0 HG22 THR A 79 -7.869 33.751 63.481 1.00 25.51 H new ATOM 0 HG23 THR A 79 -7.255 34.750 62.143 1.00 25.51 H new ATOM 1246 N ALA A 80 -4.440 35.346 61.950 1.00 72.00 N ATOM 1247 CA ALA A 80 -4.270 36.742 61.566 1.00 12.54 C ATOM 1248 C ALA A 80 -5.541 37.542 61.832 1.00 61.21 C ATOM 1249 O ALA A 80 -5.481 38.706 62.230 1.00 33.15 O ATOM 1250 CB ALA A 80 -3.878 36.842 60.100 1.00 74.41 C ATOM 0 H ALA A 80 -4.084 34.675 61.269 1.00 72.00 H new ATOM 0 HA ALA A 80 -3.471 37.166 62.174 1.00 12.54 H new ATOM 0 HB1 ALA A 80 -3.754 37.890 59.827 1.00 74.41 H new ATOM 0 HB2 ALA A 80 -2.940 36.312 59.937 1.00 74.41 H new ATOM 0 HB3 ALA A 80 -4.658 36.396 59.483 1.00 74.41 H new ATOM 1256 N SER A 81 -6.690 36.911 61.609 1.00 71.03 N ATOM 1257 CA SER A 81 -7.975 37.566 61.820 1.00 74.53 C ATOM 1258 C SER A 81 -8.166 37.927 63.291 1.00 24.22 C ATOM 1259 O SER A 81 -8.755 38.958 63.616 1.00 55.41 O ATOM 1260 CB SER A 81 -9.116 36.661 61.352 1.00 52.33 C ATOM 1261 OG SER A 81 -9.044 36.431 59.956 1.00 2.33 O ATOM 0 H SER A 81 -6.757 35.947 61.282 1.00 71.03 H new ATOM 0 HA SER A 81 -7.987 38.485 61.234 1.00 74.53 H new ATOM 0 HB2 SER A 81 -9.072 35.710 61.883 1.00 52.33 H new ATOM 0 HB3 SER A 81 -10.073 37.120 61.599 1.00 52.33 H new ATOM 0 HG SER A 81 -9.783 35.849 59.682 1.00 2.33 H new ATOM 1267 N ASP A 82 -7.665 37.070 64.173 1.00 42.04 N ATOM 1268 CA ASP A 82 -7.779 37.297 65.609 1.00 43.30 C ATOM 1269 C ASP A 82 -6.559 38.044 66.139 1.00 51.13 C ATOM 1270 O ASP A 82 -6.679 39.146 66.677 1.00 24.13 O ATOM 1271 CB ASP A 82 -7.936 35.966 66.346 1.00 22.42 C ATOM 1272 CG ASP A 82 -9.175 35.206 65.911 1.00 21.41 C ATOM 1273 OD1 ASP A 82 -9.335 34.981 64.693 1.00 73.34 O ATOM 1274 OD2 ASP A 82 -9.984 34.837 66.788 1.00 71.32 O ATOM 0 H ASP A 82 -7.176 36.212 63.919 1.00 42.04 H new ATOM 0 HA ASP A 82 -8.664 37.909 65.786 1.00 43.30 H new ATOM 0 HB2 ASP A 82 -7.054 35.350 66.169 1.00 22.42 H new ATOM 0 HB3 ASP A 82 -7.985 36.152 67.419 1.00 22.42 H new ATOM 1279 N VAL A 83 -5.386 37.438 65.986 1.00 64.30 N ATOM 1280 CA VAL A 83 -4.145 38.046 66.449 1.00 22.31 C ATOM 1281 C VAL A 83 -4.083 39.523 66.075 1.00 50.21 C ATOM 1282 O VAL A 83 -3.484 40.329 66.787 1.00 63.53 O ATOM 1283 CB VAL A 83 -2.916 37.328 65.862 1.00 44.15 C ATOM 1284 CG1 VAL A 83 -1.634 37.883 66.465 1.00 54.12 C ATOM 1285 CG2 VAL A 83 -3.015 35.827 66.091 1.00 34.52 C ATOM 0 H VAL A 83 -5.269 36.526 65.545 1.00 64.30 H new ATOM 0 HA VAL A 83 -4.131 37.948 67.535 1.00 22.31 H new ATOM 0 HB VAL A 83 -2.892 37.508 64.787 1.00 44.15 H new ATOM 0 HG11 VAL A 83 -0.776 37.363 66.038 1.00 54.12 H new ATOM 0 HG12 VAL A 83 -1.560 38.948 66.245 1.00 54.12 H new ATOM 0 HG13 VAL A 83 -1.646 37.736 67.545 1.00 54.12 H new ATOM 0 HG21 VAL A 83 -2.138 35.336 65.670 1.00 34.52 H new ATOM 0 HG22 VAL A 83 -3.065 35.625 67.161 1.00 34.52 H new ATOM 0 HG23 VAL A 83 -3.913 35.444 65.607 1.00 34.52 H new ATOM 1295 N VAL A 84 -4.708 39.870 64.954 1.00 50.24 N ATOM 1296 CA VAL A 84 -4.726 41.251 64.486 1.00 50.02 C ATOM 1297 C VAL A 84 -5.246 42.192 65.568 1.00 4.22 C ATOM 1298 O VAL A 84 -4.746 43.303 65.731 1.00 74.25 O ATOM 1299 CB VAL A 84 -5.597 41.406 63.226 1.00 11.15 C ATOM 1300 CG1 VAL A 84 -6.981 40.815 63.458 1.00 65.12 C ATOM 1301 CG2 VAL A 84 -5.695 42.869 62.821 1.00 1.11 C ATOM 0 H VAL A 84 -5.208 39.214 64.354 1.00 50.24 H new ATOM 0 HA VAL A 84 -3.697 41.515 64.242 1.00 50.02 H new ATOM 0 HB VAL A 84 -5.125 40.858 62.410 1.00 11.15 H new ATOM 0 HG11 VAL A 84 -7.583 40.933 62.557 1.00 65.12 H new ATOM 0 HG12 VAL A 84 -6.889 39.755 63.696 1.00 65.12 H new ATOM 0 HG13 VAL A 84 -7.463 41.333 64.287 1.00 65.12 H new ATOM 0 HG21 VAL A 84 -6.314 42.959 61.929 1.00 1.11 H new ATOM 0 HG22 VAL A 84 -6.143 43.442 63.633 1.00 1.11 H new ATOM 0 HG23 VAL A 84 -4.698 43.256 62.611 1.00 1.11 H new ATOM 1311 N GLY A 85 -6.253 41.736 66.307 1.00 71.33 N ATOM 1312 CA GLY A 85 -6.824 42.549 67.365 1.00 44.31 C ATOM 1313 C GLY A 85 -6.939 41.796 68.675 1.00 15.44 C ATOM 1314 O GLY A 85 -7.496 42.309 69.646 1.00 13.41 O ATOM 0 H GLY A 85 -6.683 40.818 66.192 1.00 71.33 H new ATOM 0 HA2 GLY A 85 -6.207 43.435 67.512 1.00 44.31 H new ATOM 0 HA3 GLY A 85 -7.812 42.895 67.060 1.00 44.31 H new ATOM 1318 N MET A 86 -6.416 40.575 68.704 1.00 65.53 N ATOM 1319 CA MET A 86 -6.464 39.751 69.906 1.00 21.12 C ATOM 1320 C MET A 86 -5.616 40.360 71.018 1.00 32.44 C ATOM 1321 O MET A 86 -6.046 40.478 72.165 1.00 12.00 O ATOM 1322 CB MET A 86 -5.979 38.333 69.596 1.00 55.35 C ATOM 1323 CG MET A 86 -6.395 37.308 70.640 1.00 64.33 C ATOM 1324 SD MET A 86 -7.055 35.799 69.906 1.00 65.02 S ATOM 1325 CE MET A 86 -5.585 35.128 69.133 1.00 5.21 C ATOM 0 H MET A 86 -5.954 40.134 67.909 1.00 65.53 H new ATOM 0 HA MET A 86 -7.499 39.708 70.246 1.00 21.12 H new ATOM 0 HB2 MET A 86 -6.368 38.029 68.624 1.00 55.35 H new ATOM 0 HB3 MET A 86 -4.892 38.338 69.517 1.00 55.35 H new ATOM 0 HG2 MET A 86 -5.535 37.059 71.262 1.00 64.33 H new ATOM 0 HG3 MET A 86 -7.147 37.747 71.296 1.00 64.33 H new ATOM 0 HE1 MET A 86 -5.573 34.045 69.254 1.00 5.21 H new ATOM 0 HE2 MET A 86 -5.587 35.375 68.071 1.00 5.21 H new ATOM 0 HE3 MET A 86 -4.699 35.556 69.603 1.00 5.21 H new ATOM 1335 N PRO A 87 -4.382 40.757 70.673 1.00 60.12 N ATOM 1336 CA PRO A 87 -3.449 41.361 71.628 1.00 52.01 C ATOM 1337 C PRO A 87 -3.883 42.758 72.059 1.00 2.14 C ATOM 1338 O PRO A 87 -4.928 43.250 71.635 1.00 22.44 O ATOM 1339 CB PRO A 87 -2.135 41.427 70.846 1.00 71.24 C ATOM 1340 CG PRO A 87 -2.547 41.468 69.415 1.00 64.11 C ATOM 1341 CD PRO A 87 -3.804 40.647 69.322 1.00 54.05 C ATOM 0 HA PRO A 87 -3.383 40.787 72.552 1.00 52.01 H new ATOM 0 HB2 PRO A 87 -1.557 42.311 71.117 1.00 71.24 H new ATOM 0 HB3 PRO A 87 -1.507 40.560 71.053 1.00 71.24 H new ATOM 0 HG2 PRO A 87 -2.725 42.493 69.090 1.00 64.11 H new ATOM 0 HG3 PRO A 87 -1.766 41.061 68.772 1.00 64.11 H new ATOM 0 HD2 PRO A 87 -4.482 41.035 68.562 1.00 54.05 H new ATOM 0 HD3 PRO A 87 -3.589 39.611 69.060 1.00 54.05 H new ATOM 1349 N GLN A 88 -3.075 43.389 72.904 1.00 72.33 N ATOM 1350 CA GLN A 88 -3.377 44.729 73.393 1.00 74.41 C ATOM 1351 C GLN A 88 -2.914 45.788 72.398 1.00 15.21 C ATOM 1352 O GLN A 88 -3.558 46.825 72.236 1.00 72.12 O ATOM 1353 CB GLN A 88 -2.713 44.962 74.751 1.00 31.03 C ATOM 1354 CG GLN A 88 -1.194 45.000 74.686 1.00 73.42 C ATOM 1355 CD GLN A 88 -0.559 45.245 76.041 1.00 23.24 C ATOM 1356 OE1 GLN A 88 -1.224 45.166 77.074 1.00 54.44 O ATOM 1357 NE2 GLN A 88 0.735 45.541 76.043 1.00 71.41 N ATOM 0 H GLN A 88 -2.206 42.994 73.264 1.00 72.33 H new ATOM 0 HA GLN A 88 -4.458 44.812 73.507 1.00 74.41 H new ATOM 0 HB2 GLN A 88 -3.074 45.903 75.166 1.00 31.03 H new ATOM 0 HB3 GLN A 88 -3.020 44.172 75.437 1.00 31.03 H new ATOM 0 HG2 GLN A 88 -0.827 44.056 74.282 1.00 73.42 H new ATOM 0 HG3 GLN A 88 -0.883 45.784 73.996 1.00 73.42 H new ATOM 0 HE21 GLN A 88 1.247 45.596 75.163 1.00 71.41 H new ATOM 0 HE22 GLN A 88 1.217 45.714 76.925 1.00 71.41 H new ATOM 1366 N TRP A 89 -1.795 45.521 71.735 1.00 33.02 N ATOM 1367 CA TRP A 89 -1.246 46.452 70.756 1.00 11.34 C ATOM 1368 C TRP A 89 -2.351 47.042 69.886 1.00 42.05 C ATOM 1369 O TRP A 89 -2.256 48.185 69.440 1.00 33.32 O ATOM 1370 CB TRP A 89 -0.210 45.749 69.878 1.00 24.03 C ATOM 1371 CG TRP A 89 -0.778 45.221 68.594 1.00 52.24 C ATOM 1372 CD1 TRP A 89 -1.043 43.917 68.290 1.00 60.23 C ATOM 1373 CD2 TRP A 89 -1.150 45.989 67.443 1.00 1.53 C ATOM 1374 NE1 TRP A 89 -1.556 43.826 67.019 1.00 64.43 N ATOM 1375 CE2 TRP A 89 -1.632 45.083 66.478 1.00 53.40 C ATOM 1376 CE3 TRP A 89 -1.124 47.351 67.135 1.00 43.45 C ATOM 1377 CZ2 TRP A 89 -2.083 45.498 65.228 1.00 63.14 C ATOM 1378 CZ3 TRP A 89 -1.571 47.761 65.893 1.00 51.44 C ATOM 1379 CH2 TRP A 89 -2.046 46.838 64.953 1.00 2.32 C ATOM 0 H TRP A 89 -1.250 44.668 71.857 1.00 33.02 H new ATOM 0 HA TRP A 89 -0.762 47.265 71.297 1.00 11.34 H new ATOM 0 HB2 TRP A 89 0.596 46.447 69.651 1.00 24.03 H new ATOM 0 HB3 TRP A 89 0.231 44.924 70.438 1.00 24.03 H new ATOM 0 HD1 TRP A 89 -0.874 43.080 68.951 1.00 60.23 H new ATOM 0 HE1 TRP A 89 -1.835 42.963 66.553 1.00 64.43 H new ATOM 0 HE3 TRP A 89 -0.761 48.071 67.854 1.00 43.45 H new ATOM 0 HZ2 TRP A 89 -2.449 44.788 64.501 1.00 63.14 H new ATOM 0 HZ3 TRP A 89 -1.554 48.812 65.643 1.00 51.44 H new ATOM 0 HH2 TRP A 89 -2.390 47.191 63.992 1.00 2.32 H new ATOM 1390 N GLN A 90 -3.396 46.256 69.651 1.00 61.20 N ATOM 1391 CA GLN A 90 -4.518 46.702 68.833 1.00 14.11 C ATOM 1392 C GLN A 90 -5.331 47.769 69.561 1.00 64.35 C ATOM 1393 O GLN A 90 -5.774 48.744 68.954 1.00 12.14 O ATOM 1394 CB GLN A 90 -5.417 45.518 68.473 1.00 72.42 C ATOM 1395 CG GLN A 90 -6.762 45.929 67.895 1.00 52.42 C ATOM 1396 CD GLN A 90 -6.647 46.497 66.495 1.00 23.20 C ATOM 1397 OE1 GLN A 90 -5.570 46.495 65.898 1.00 25.03 O ATOM 1398 NE2 GLN A 90 -7.760 46.987 65.961 1.00 42.23 N ATOM 0 H GLN A 90 -3.490 45.308 70.015 1.00 61.20 H new ATOM 0 HA GLN A 90 -4.117 47.137 67.917 1.00 14.11 H new ATOM 0 HB2 GLN A 90 -4.899 44.885 67.752 1.00 72.42 H new ATOM 0 HB3 GLN A 90 -5.583 44.914 69.365 1.00 72.42 H new ATOM 0 HG2 GLN A 90 -7.425 45.064 67.879 1.00 52.42 H new ATOM 0 HG3 GLN A 90 -7.222 46.671 68.547 1.00 52.42 H new ATOM 0 HE21 GLN A 90 -8.631 46.969 66.491 1.00 42.23 H new ATOM 0 HE22 GLN A 90 -7.744 47.382 65.021 1.00 42.23 H new ATOM 1407 N GLU A 91 -5.521 47.577 70.862 1.00 43.45 N ATOM 1408 CA GLU A 91 -6.281 48.523 71.670 1.00 42.33 C ATOM 1409 C GLU A 91 -5.434 49.743 72.019 1.00 73.25 C ATOM 1410 O GLU A 91 -5.919 50.875 72.000 1.00 73.15 O ATOM 1411 CB GLU A 91 -6.777 47.850 72.952 1.00 61.12 C ATOM 1412 CG GLU A 91 -8.288 47.875 73.106 1.00 41.40 C ATOM 1413 CD GLU A 91 -8.747 47.333 74.446 1.00 64.04 C ATOM 1414 OE1 GLU A 91 -8.324 46.216 74.811 1.00 71.21 O ATOM 1415 OE2 GLU A 91 -9.528 48.027 75.129 1.00 52.23 O ATOM 0 H GLU A 91 -5.159 46.775 71.379 1.00 43.45 H new ATOM 0 HA GLU A 91 -7.140 48.853 71.085 1.00 42.33 H new ATOM 0 HB2 GLU A 91 -6.436 46.815 72.964 1.00 61.12 H new ATOM 0 HB3 GLU A 91 -6.324 48.345 73.811 1.00 61.12 H new ATOM 0 HG2 GLU A 91 -8.644 48.899 72.991 1.00 41.40 H new ATOM 0 HG3 GLU A 91 -8.741 47.288 72.307 1.00 41.40 H new ATOM 1422 N TYR A 92 -4.167 49.506 72.338 1.00 41.43 N ATOM 1423 CA TYR A 92 -3.252 50.584 72.694 1.00 54.42 C ATOM 1424 C TYR A 92 -2.975 51.484 71.494 1.00 24.44 C ATOM 1425 O TYR A 92 -3.206 52.692 71.541 1.00 41.01 O ATOM 1426 CB TYR A 92 -1.939 50.011 73.230 1.00 50.15 C ATOM 1427 CG TYR A 92 -1.853 50.002 74.739 1.00 1.43 C ATOM 1428 CD1 TYR A 92 -1.584 51.166 75.447 1.00 53.33 C ATOM 1429 CD2 TYR A 92 -2.041 48.826 75.458 1.00 65.33 C ATOM 1430 CE1 TYR A 92 -1.504 51.162 76.827 1.00 25.41 C ATOM 1431 CE2 TYR A 92 -1.964 48.813 76.837 1.00 65.23 C ATOM 1432 CZ TYR A 92 -1.696 49.983 77.517 1.00 5.13 C ATOM 1433 OH TYR A 92 -1.617 49.973 78.891 1.00 21.42 O ATOM 0 H TYR A 92 -3.749 48.576 72.357 1.00 41.43 H new ATOM 0 HA TYR A 92 -3.724 51.183 73.473 1.00 54.42 H new ATOM 0 HB2 TYR A 92 -1.820 48.992 72.862 1.00 50.15 H new ATOM 0 HB3 TYR A 92 -1.109 50.593 72.831 1.00 50.15 H new ATOM 0 HD1 TYR A 92 -1.435 52.091 74.910 1.00 53.33 H new ATOM 0 HD2 TYR A 92 -2.251 47.908 74.929 1.00 65.33 H new ATOM 0 HE1 TYR A 92 -1.292 52.076 77.362 1.00 25.41 H new ATOM 0 HE2 TYR A 92 -2.113 47.891 77.380 1.00 65.23 H new ATOM 0 HH TYR A 92 -1.778 49.064 79.221 1.00 21.42 H new ATOM 1443 N THR A 93 -2.480 50.884 70.415 1.00 14.51 N ATOM 1444 CA THR A 93 -2.172 51.628 69.200 1.00 54.31 C ATOM 1445 C THR A 93 -3.301 52.587 68.842 1.00 32.41 C ATOM 1446 O THR A 93 -3.086 53.586 68.156 1.00 41.23 O ATOM 1447 CB THR A 93 -1.919 50.683 68.012 1.00 62.35 C ATOM 1448 OG1 THR A 93 -1.493 51.435 66.870 1.00 33.32 O ATOM 1449 CG2 THR A 93 -3.174 49.897 67.668 1.00 21.14 C ATOM 0 H THR A 93 -2.284 49.885 70.358 1.00 14.51 H new ATOM 0 HA THR A 93 -1.265 52.198 69.400 1.00 54.31 H new ATOM 0 HB THR A 93 -1.136 49.980 68.297 1.00 62.35 H new ATOM 0 HG1 THR A 93 -1.333 50.826 66.119 1.00 33.32 H new ATOM 0 HG21 THR A 93 -2.970 49.236 66.825 1.00 21.14 H new ATOM 0 HG22 THR A 93 -3.479 49.303 68.530 1.00 21.14 H new ATOM 0 HG23 THR A 93 -3.974 50.588 67.402 1.00 21.14 H new ATOM 1457 N ALA A 94 -4.506 52.276 69.309 1.00 74.24 N ATOM 1458 CA ALA A 94 -5.669 53.113 69.039 1.00 44.34 C ATOM 1459 C ALA A 94 -5.680 54.346 69.938 1.00 64.22 C ATOM 1460 O ALA A 94 -6.059 55.435 69.508 1.00 5.53 O ATOM 1461 CB ALA A 94 -6.949 52.312 69.224 1.00 55.42 C ATOM 0 H ALA A 94 -4.702 51.451 69.876 1.00 74.24 H new ATOM 0 HA ALA A 94 -5.610 53.451 68.004 1.00 44.34 H new ATOM 0 HB1 ALA A 94 -7.810 52.949 69.019 1.00 55.42 H new ATOM 0 HB2 ALA A 94 -6.952 51.466 68.536 1.00 55.42 H new ATOM 0 HB3 ALA A 94 -7.004 51.946 70.249 1.00 55.42 H new ATOM 1467 N MET A 95 -5.261 54.166 71.186 1.00 40.24 N ATOM 1468 CA MET A 95 -5.222 55.265 72.144 1.00 5.53 C ATOM 1469 C MET A 95 -4.218 56.328 71.711 1.00 74.13 C ATOM 1470 O MET A 95 -4.459 57.526 71.872 1.00 21.02 O ATOM 1471 CB MET A 95 -4.860 54.743 73.537 1.00 24.40 C ATOM 1472 CG MET A 95 -5.586 55.462 74.661 1.00 53.25 C ATOM 1473 SD MET A 95 -5.275 54.719 76.275 1.00 74.01 S ATOM 1474 CE MET A 95 -5.887 56.003 77.362 1.00 53.51 C ATOM 0 H MET A 95 -4.944 53.271 71.558 1.00 40.24 H new ATOM 0 HA MET A 95 -6.213 55.718 72.179 1.00 5.53 H new ATOM 0 HB2 MET A 95 -5.090 53.679 73.589 1.00 24.40 H new ATOM 0 HB3 MET A 95 -3.785 54.844 73.686 1.00 24.40 H new ATOM 0 HG2 MET A 95 -5.275 56.506 74.680 1.00 53.25 H new ATOM 0 HG3 MET A 95 -6.657 55.452 74.461 1.00 53.25 H new ATOM 0 HE1 MET A 95 -5.763 55.691 78.399 1.00 53.51 H new ATOM 0 HE2 MET A 95 -5.327 56.922 77.190 1.00 53.51 H new ATOM 0 HE3 MET A 95 -6.944 56.178 77.159 1.00 53.51 H new ATOM 1484 N LEU A 96 -3.093 55.886 71.161 1.00 44.41 N ATOM 1485 CA LEU A 96 -2.052 56.800 70.704 1.00 2.22 C ATOM 1486 C LEU A 96 -2.420 57.416 69.358 1.00 5.13 C ATOM 1487 O LEU A 96 -2.407 58.636 69.198 1.00 61.24 O ATOM 1488 CB LEU A 96 -0.714 56.067 70.594 1.00 52.13 C ATOM 1489 CG LEU A 96 -0.792 54.564 70.324 1.00 14.13 C ATOM 1490 CD1 LEU A 96 0.392 54.109 69.487 1.00 44.23 C ATOM 1491 CD2 LEU A 96 -0.851 53.790 71.633 1.00 30.22 C ATOM 0 H LEU A 96 -2.878 54.899 71.020 1.00 44.41 H new ATOM 0 HA LEU A 96 -1.960 57.602 71.436 1.00 2.22 H new ATOM 0 HB2 LEU A 96 -0.134 56.530 69.796 1.00 52.13 H new ATOM 0 HB3 LEU A 96 -0.161 56.221 71.520 1.00 52.13 H new ATOM 0 HG LEU A 96 -1.705 54.362 69.763 1.00 14.13 H new ATOM 0 HD11 LEU A 96 0.319 53.037 69.305 1.00 44.23 H new ATOM 0 HD12 LEU A 96 0.390 54.639 68.535 1.00 44.23 H new ATOM 0 HD13 LEU A 96 1.318 54.324 70.020 1.00 44.23 H new ATOM 0 HD21 LEU A 96 -0.906 52.722 71.422 1.00 30.22 H new ATOM 0 HD22 LEU A 96 0.044 53.998 72.219 1.00 30.22 H new ATOM 0 HD23 LEU A 96 -1.733 54.095 72.196 1.00 30.22 H new ATOM 1503 N ARG A 97 -2.751 56.562 68.394 1.00 53.12 N ATOM 1504 CA ARG A 97 -3.124 57.023 67.062 1.00 10.35 C ATOM 1505 C ARG A 97 -4.372 57.900 67.119 1.00 21.02 C ATOM 1506 O ARG A 97 -4.466 58.906 66.418 1.00 70.51 O ATOM 1507 CB ARG A 97 -3.369 55.829 66.137 1.00 22.15 C ATOM 1508 CG ARG A 97 -4.818 55.374 66.101 1.00 2.55 C ATOM 1509 CD ARG A 97 -4.971 54.060 65.348 1.00 71.02 C ATOM 1510 NE ARG A 97 -6.059 54.112 64.376 1.00 24.04 N ATOM 1511 CZ ARG A 97 -7.340 53.964 64.697 1.00 63.10 C ATOM 1512 NH1 ARG A 97 -7.691 53.759 65.958 1.00 53.43 N ATOM 1513 NH2 ARG A 97 -8.273 54.023 63.755 1.00 65.12 N ATOM 0 H ARG A 97 -2.768 55.549 68.511 1.00 53.12 H new ATOM 0 HA ARG A 97 -2.301 57.618 66.667 1.00 10.35 H new ATOM 0 HB2 ARG A 97 -3.054 56.092 65.127 1.00 22.15 H new ATOM 0 HB3 ARG A 97 -2.743 54.996 66.459 1.00 22.15 H new ATOM 0 HG2 ARG A 97 -5.189 55.257 67.119 1.00 2.55 H new ATOM 0 HG3 ARG A 97 -5.430 56.141 65.625 1.00 2.55 H new ATOM 0 HD2 ARG A 97 -4.038 53.824 64.836 1.00 71.02 H new ATOM 0 HD3 ARG A 97 -5.157 53.254 66.058 1.00 71.02 H new ATOM 0 HE ARG A 97 -5.823 54.271 63.396 1.00 24.04 H new ATOM 0 HH11 ARG A 97 -6.977 53.714 66.685 1.00 53.43 H new ATOM 0 HH12 ARG A 97 -8.675 53.646 66.202 1.00 53.43 H new ATOM 0 HH21 ARG A 97 -8.007 54.182 62.783 1.00 65.12 H new ATOM 0 HH22 ARG A 97 -9.256 53.909 64.003 1.00 65.12 H new ATOM 1527 N GLU A 98 -5.325 57.509 67.959 1.00 30.35 N ATOM 1528 CA GLU A 98 -6.567 58.259 68.105 1.00 55.55 C ATOM 1529 C GLU A 98 -6.345 59.522 68.932 1.00 5.12 C ATOM 1530 O GLU A 98 -6.692 60.624 68.507 1.00 62.02 O ATOM 1531 CB GLU A 98 -7.641 57.388 68.762 1.00 54.33 C ATOM 1532 CG GLU A 98 -9.021 58.023 68.766 1.00 0.22 C ATOM 1533 CD GLU A 98 -9.430 58.540 67.400 1.00 44.20 C ATOM 1534 OE1 GLU A 98 -9.712 57.709 66.512 1.00 75.40 O ATOM 1535 OE2 GLU A 98 -9.466 59.775 67.221 1.00 34.33 O ATOM 0 H GLU A 98 -5.261 56.679 68.548 1.00 30.35 H new ATOM 0 HA GLU A 98 -6.905 58.551 67.111 1.00 55.55 H new ATOM 0 HB2 GLU A 98 -7.691 56.433 68.240 1.00 54.33 H new ATOM 0 HB3 GLU A 98 -7.345 57.175 69.789 1.00 54.33 H new ATOM 0 HG2 GLU A 98 -9.753 57.291 69.107 1.00 0.22 H new ATOM 0 HG3 GLU A 98 -9.036 58.846 69.481 1.00 0.22 H new ATOM 1542 N ARG A 99 -5.765 59.353 70.116 1.00 11.22 N ATOM 1543 CA ARG A 99 -5.498 60.478 71.004 1.00 31.13 C ATOM 1544 C ARG A 99 -4.124 61.078 70.722 1.00 75.13 C ATOM 1545 O ARG A 99 -3.576 61.814 71.544 1.00 3.30 O ATOM 1546 CB ARG A 99 -5.583 60.033 72.465 1.00 61.11 C ATOM 1547 CG ARG A 99 -6.164 61.090 73.391 1.00 12.01 C ATOM 1548 CD ARG A 99 -7.681 61.143 73.293 1.00 44.20 C ATOM 1549 NE ARG A 99 -8.310 61.261 74.605 1.00 32.43 N ATOM 1550 CZ ARG A 99 -8.297 62.375 75.328 1.00 54.21 C ATOM 1551 NH1 ARG A 99 -7.690 63.461 74.870 1.00 33.45 N ATOM 1552 NH2 ARG A 99 -8.893 62.404 76.514 1.00 50.44 N ATOM 0 H ARG A 99 -5.471 58.448 70.482 1.00 11.22 H new ATOM 0 HA ARG A 99 -6.253 61.242 70.820 1.00 31.13 H new ATOM 0 HB2 ARG A 99 -6.194 59.132 72.527 1.00 61.11 H new ATOM 0 HB3 ARG A 99 -4.585 59.766 72.813 1.00 61.11 H new ATOM 0 HG2 ARG A 99 -5.872 60.875 74.419 1.00 12.01 H new ATOM 0 HG3 ARG A 99 -5.748 62.065 73.139 1.00 12.01 H new ATOM 0 HD2 ARG A 99 -7.975 61.990 72.673 1.00 44.20 H new ATOM 0 HD3 ARG A 99 -8.044 60.243 72.797 1.00 44.20 H new ATOM 0 HE ARG A 99 -8.785 60.443 74.987 1.00 32.43 H new ATOM 0 HH11 ARG A 99 -7.231 63.443 73.959 1.00 33.45 H new ATOM 0 HH12 ARG A 99 -7.682 64.315 75.428 1.00 33.45 H new ATOM 0 HH21 ARG A 99 -9.361 61.571 76.870 1.00 50.44 H new ATOM 0 HH22 ARG A 99 -8.883 63.260 77.069 1.00 50.44 H new ATOM 1566 N PHE A 100 -3.573 60.760 69.555 1.00 53.31 N ATOM 1567 CA PHE A 100 -2.262 61.266 69.166 1.00 71.55 C ATOM 1568 C PHE A 100 -2.152 62.763 69.447 1.00 42.33 C ATOM 1569 O PHE A 100 -1.117 63.244 69.908 1.00 10.42 O ATOM 1570 CB PHE A 100 -2.008 60.995 67.682 1.00 62.22 C ATOM 1571 CG PHE A 100 -2.829 61.856 66.766 1.00 65.22 C ATOM 1572 CD1 PHE A 100 -4.206 61.718 66.712 1.00 3.32 C ATOM 1573 CD2 PHE A 100 -2.223 62.804 65.956 1.00 50.14 C ATOM 1574 CE1 PHE A 100 -4.964 62.509 65.871 1.00 25.45 C ATOM 1575 CE2 PHE A 100 -2.976 63.599 65.112 1.00 11.43 C ATOM 1576 CZ PHE A 100 -4.349 63.450 65.069 1.00 63.23 C ATOM 0 H PHE A 100 -4.014 60.155 68.863 1.00 53.31 H new ATOM 0 HA PHE A 100 -1.509 60.746 69.758 1.00 71.55 H new ATOM 0 HB2 PHE A 100 -0.951 61.155 67.467 1.00 62.22 H new ATOM 0 HB3 PHE A 100 -2.221 59.947 67.471 1.00 62.22 H new ATOM 0 HD1 PHE A 100 -4.693 60.983 67.335 1.00 3.32 H new ATOM 0 HD2 PHE A 100 -1.150 62.923 65.985 1.00 50.14 H new ATOM 0 HE1 PHE A 100 -6.037 62.392 65.841 1.00 25.45 H new ATOM 0 HE2 PHE A 100 -2.492 64.335 64.487 1.00 11.43 H new ATOM 0 HZ PHE A 100 -4.940 64.068 64.409 1.00 63.23 H new ATOM 1586 N ALA A 101 -3.226 63.492 69.166 1.00 61.32 N ATOM 1587 CA ALA A 101 -3.251 64.933 69.389 1.00 22.31 C ATOM 1588 C ALA A 101 -2.541 65.300 70.688 1.00 3.12 C ATOM 1589 O ALA A 101 -2.046 66.415 70.842 1.00 1.03 O ATOM 1590 CB ALA A 101 -4.686 65.439 69.410 1.00 23.24 C ATOM 0 H ALA A 101 -4.091 63.109 68.783 1.00 61.32 H new ATOM 0 HA ALA A 101 -2.720 65.412 68.567 1.00 22.31 H new ATOM 0 HB1 ALA A 101 -4.690 66.516 69.577 1.00 23.24 H new ATOM 0 HB2 ALA A 101 -5.164 65.218 68.455 1.00 23.24 H new ATOM 0 HB3 ALA A 101 -5.234 64.945 70.212 1.00 23.24 H new ATOM 1596 N GLY A 102 -2.494 64.352 71.619 1.00 12.34 N ATOM 1597 CA GLY A 102 -1.842 64.595 72.892 1.00 53.42 C ATOM 1598 C GLY A 102 -0.348 64.348 72.836 1.00 0.24 C ATOM 1599 O GLY A 102 0.447 65.287 72.887 1.00 41.35 O ATOM 0 H GLY A 102 -2.896 63.420 71.514 1.00 12.34 H new ATOM 0 HA2 GLY A 102 -2.025 65.624 73.200 1.00 53.42 H new ATOM 0 HA3 GLY A 102 -2.285 63.951 73.652 1.00 53.42 H new ATOM 1603 N LEU A 103 0.036 63.081 72.733 1.00 2.31 N ATOM 1604 CA LEU A 103 1.447 62.710 72.672 1.00 35.30 C ATOM 1605 C LEU A 103 2.208 63.625 71.718 1.00 72.14 C ATOM 1606 O LEU A 103 3.412 63.833 71.869 1.00 11.02 O ATOM 1607 CB LEU A 103 1.593 61.254 72.227 1.00 62.24 C ATOM 1608 CG LEU A 103 0.646 60.792 71.120 1.00 21.41 C ATOM 1609 CD1 LEU A 103 1.347 60.817 69.771 1.00 70.02 C ATOM 1610 CD2 LEU A 103 0.114 59.398 71.421 1.00 61.54 C ATOM 0 H LEU A 103 -0.609 62.292 72.690 1.00 2.31 H new ATOM 0 HA LEU A 103 1.871 62.822 73.670 1.00 35.30 H new ATOM 0 HB2 LEU A 103 2.618 61.100 71.889 1.00 62.24 H new ATOM 0 HB3 LEU A 103 1.444 60.613 73.096 1.00 62.24 H new ATOM 0 HG LEU A 103 -0.198 61.481 71.080 1.00 21.41 H new ATOM 0 HD11 LEU A 103 0.656 60.485 68.996 1.00 70.02 H new ATOM 0 HD12 LEU A 103 1.678 61.832 69.552 1.00 70.02 H new ATOM 0 HD13 LEU A 103 2.210 60.152 69.797 1.00 70.02 H new ATOM 0 HD21 LEU A 103 -0.559 59.085 70.622 1.00 61.54 H new ATOM 0 HD22 LEU A 103 0.947 58.698 71.490 1.00 61.54 H new ATOM 0 HD23 LEU A 103 -0.427 59.412 72.367 1.00 61.54 H new