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= -0.392 K(o=-0.39,f=-2.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -110:sc= -3.14 (180deg=-7.65!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 39 ASN : amide:sc= -0.0555 X(o=-0.055,f=-0.16) USER MOD Single : A 44 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.00058) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.6) USER MOD Single : A 57 GLN : amide:sc= -0.925 K(o=-0.92,f=0.49) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 66:sc= 0.0339 USER MOD Single : A 65 HIS : no HD1:sc= -0.717 K(o=-0.72,f=-1.9!) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot -152:sc= -3.24! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.421 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 178:sc= -0.0175 (180deg=-0.0302) USER MOD Single : A 88 GLN : amide:sc= -0.0473 K(o=-0.047,f=-1.9!) USER MOD Single : A 90 GLN : amide:sc= -0.025 K(o=-0.025,f=-1.8) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 113:sc= 0.00074 USER MOD Single : A 95 MET CE :methyl -171:sc= 0 (180deg=-0.0637) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 15.484 49.262 69.174 1.00 53.54 N ATOM 249 CA LYS A 17 15.322 48.361 68.040 1.00 2.31 C ATOM 250 C LYS A 17 13.911 47.779 68.005 1.00 43.34 C ATOM 251 O LYS A 17 13.094 48.055 68.883 1.00 45.33 O ATOM 252 CB LYS A 17 16.350 47.229 68.109 1.00 73.44 C ATOM 253 CG LYS A 17 17.785 47.718 68.195 1.00 44.13 C ATOM 254 CD LYS A 17 18.617 46.844 69.119 1.00 55.30 C ATOM 255 CE LYS A 17 19.428 45.820 68.339 1.00 32.13 C ATOM 256 NZ LYS A 17 20.765 46.349 67.956 1.00 44.13 N ATOM 0 HA LYS A 17 15.483 48.934 67.127 1.00 2.31 H new ATOM 0 HB2 LYS A 17 16.134 46.606 68.977 1.00 73.44 H new ATOM 0 HB3 LYS A 17 16.242 46.597 67.228 1.00 73.44 H new ATOM 0 HG2 LYS A 17 18.229 47.723 67.200 1.00 44.13 H new ATOM 0 HG3 LYS A 17 17.799 48.747 68.555 1.00 44.13 H new ATOM 0 HD2 LYS A 17 19.289 47.470 69.706 1.00 55.30 H new ATOM 0 HD3 LYS A 17 17.962 46.331 69.823 1.00 55.30 H new ATOM 0 HE2 LYS A 17 19.552 44.920 68.941 1.00 32.13 H new ATOM 0 HE3 LYS A 17 18.881 45.530 67.442 1.00 32.13 H new ATOM 0 HZ1 LYS A 17 21.287 45.622 67.426 1.00 44.13 H new ATOM 0 HZ2 LYS A 17 20.647 47.193 67.361 1.00 44.13 H new ATOM 0 HZ3 LYS A 17 21.297 46.602 68.813 1.00 44.13 H new ATOM 270 N TRP A 18 13.635 46.974 66.986 1.00 12.22 N ATOM 271 CA TRP A 18 12.323 46.352 66.838 1.00 51.23 C ATOM 272 C TRP A 18 11.914 45.634 68.120 1.00 5.12 C ATOM 273 O TRP A 18 12.673 45.592 69.089 1.00 61.13 O ATOM 274 CB TRP A 18 12.332 45.368 65.668 1.00 32.51 C ATOM 275 CG TRP A 18 13.084 45.872 64.473 1.00 61.33 C ATOM 276 CD1 TRP A 18 13.186 47.169 64.056 1.00 12.12 C ATOM 277 CD2 TRP A 18 13.836 45.089 63.541 1.00 24.20 C ATOM 278 NE1 TRP A 18 13.956 47.239 62.921 1.00 44.44 N ATOM 279 CE2 TRP A 18 14.368 45.976 62.585 1.00 41.34 C ATOM 280 CE3 TRP A 18 14.115 43.725 63.421 1.00 31.24 C ATOM 281 CZ2 TRP A 18 15.160 45.541 61.526 1.00 63.21 C ATOM 282 CZ3 TRP A 18 14.900 43.295 62.368 1.00 14.25 C ATOM 283 CH2 TRP A 18 15.415 44.200 61.433 1.00 65.15 C ATOM 0 H TRP A 18 14.300 46.736 66.250 1.00 12.22 H new ATOM 0 HA TRP A 18 11.596 47.138 66.636 1.00 51.23 H new ATOM 0 HB2 TRP A 18 12.775 44.428 65.997 1.00 32.51 H new ATOM 0 HB3 TRP A 18 11.304 45.152 65.377 1.00 32.51 H new ATOM 0 HD1 TRP A 18 12.728 48.015 64.547 1.00 12.12 H new ATOM 0 HE1 TRP A 18 14.184 48.092 62.411 1.00 44.44 H new ATOM 0 HE3 TRP A 18 13.724 43.019 64.139 1.00 31.24 H new ATOM 0 HZ2 TRP A 18 15.559 46.237 60.803 1.00 63.21 H new ATOM 0 HZ3 TRP A 18 15.120 42.243 62.265 1.00 14.25 H new ATOM 0 HH2 TRP A 18 16.026 43.833 60.622 1.00 65.15 H new ATOM 294 N LEU A 19 10.712 45.069 68.117 1.00 40.30 N ATOM 295 CA LEU A 19 10.202 44.351 69.281 1.00 34.02 C ATOM 296 C LEU A 19 10.890 42.998 69.431 1.00 25.53 C ATOM 297 O LEU A 19 10.897 42.410 70.512 1.00 23.42 O ATOM 298 CB LEU A 19 8.690 44.157 69.162 1.00 14.22 C ATOM 299 CG LEU A 19 7.912 44.124 70.478 1.00 31.01 C ATOM 300 CD1 LEU A 19 8.023 45.459 71.198 1.00 60.32 C ATOM 301 CD2 LEU A 19 6.452 43.772 70.227 1.00 42.02 C ATOM 0 H LEU A 19 10.072 45.094 67.323 1.00 40.30 H new ATOM 0 HA LEU A 19 10.417 44.947 70.168 1.00 34.02 H new ATOM 0 HB2 LEU A 19 8.288 44.961 68.546 1.00 14.22 H new ATOM 0 HB3 LEU A 19 8.504 43.224 68.630 1.00 14.22 H new ATOM 0 HG LEU A 19 8.347 43.353 71.115 1.00 31.01 H new ATOM 0 HD11 LEU A 19 7.463 45.416 72.132 1.00 60.32 H new ATOM 0 HD12 LEU A 19 9.071 45.671 71.412 1.00 60.32 H new ATOM 0 HD13 LEU A 19 7.615 46.248 70.566 1.00 60.32 H new ATOM 0 HD21 LEU A 19 5.914 43.753 71.175 1.00 42.02 H new ATOM 0 HD22 LEU A 19 6.005 44.519 69.571 1.00 42.02 H new ATOM 0 HD23 LEU A 19 6.390 42.791 69.755 1.00 42.02 H new ATOM 313 N ASP A 20 11.468 42.510 68.338 1.00 30.01 N ATOM 314 CA ASP A 20 12.162 41.228 68.348 1.00 2.24 C ATOM 315 C ASP A 20 13.672 41.428 68.407 1.00 3.32 C ATOM 316 O ASP A 20 14.302 41.778 67.410 1.00 23.53 O ATOM 317 CB ASP A 20 11.790 40.414 67.107 1.00 43.12 C ATOM 318 CG ASP A 20 11.497 38.962 67.434 1.00 60.25 C ATOM 319 OD1 ASP A 20 10.900 38.703 68.500 1.00 21.44 O ATOM 320 OD2 ASP A 20 11.864 38.087 66.623 1.00 2.55 O ATOM 0 H ASP A 20 11.469 42.983 67.434 1.00 30.01 H new ATOM 0 HA ASP A 20 11.852 40.681 69.238 1.00 2.24 H new ATOM 0 HB2 ASP A 20 10.916 40.860 66.632 1.00 43.12 H new ATOM 0 HB3 ASP A 20 12.605 40.464 66.385 1.00 43.12 H new ATOM 325 N GLY A 21 14.249 41.203 69.583 1.00 13.43 N ATOM 326 CA GLY A 21 15.681 41.363 69.751 1.00 75.34 C ATOM 327 C GLY A 21 16.066 42.787 70.104 1.00 44.55 C ATOM 328 O GLY A 21 15.950 43.693 69.277 1.00 50.32 O ATOM 0 H GLY A 21 13.749 40.912 70.423 1.00 13.43 H new ATOM 0 HA2 GLY A 21 16.030 40.690 70.535 1.00 75.34 H new ATOM 0 HA3 GLY A 21 16.187 41.070 68.831 1.00 75.34 H new ATOM 332 N LEU A 22 16.526 42.986 71.335 1.00 62.11 N ATOM 333 CA LEU A 22 16.929 44.310 71.796 1.00 75.55 C ATOM 334 C LEU A 22 17.898 44.207 72.969 1.00 63.44 C ATOM 335 O LEU A 22 17.553 43.681 74.027 1.00 33.31 O ATOM 336 CB LEU A 22 15.700 45.125 72.204 1.00 42.14 C ATOM 337 CG LEU A 22 15.705 46.598 71.792 1.00 14.42 C ATOM 338 CD1 LEU A 22 14.320 47.026 71.329 1.00 41.43 C ATOM 339 CD2 LEU A 22 16.178 47.473 72.944 1.00 12.45 C ATOM 0 H LEU A 22 16.629 42.248 72.031 1.00 62.11 H new ATOM 0 HA LEU A 22 17.436 44.815 70.974 1.00 75.55 H new ATOM 0 HB2 LEU A 22 14.816 44.652 71.776 1.00 42.14 H new ATOM 0 HB3 LEU A 22 15.597 45.072 73.288 1.00 42.14 H new ATOM 0 HG LEU A 22 16.399 46.721 70.961 1.00 14.42 H new ATOM 0 HD11 LEU A 22 14.342 48.077 71.040 1.00 41.43 H new ATOM 0 HD12 LEU A 22 14.019 46.420 70.474 1.00 41.43 H new ATOM 0 HD13 LEU A 22 13.606 46.888 72.141 1.00 41.43 H new ATOM 0 HD21 LEU A 22 16.175 48.518 72.633 1.00 12.45 H new ATOM 0 HD22 LEU A 22 15.509 47.346 73.795 1.00 12.45 H new ATOM 0 HD23 LEU A 22 17.189 47.183 73.230 1.00 12.45 H new ATOM 351 N ARG A 23 19.111 44.714 72.774 1.00 1.41 N ATOM 352 CA ARG A 23 20.130 44.679 73.816 1.00 73.01 C ATOM 353 C ARG A 23 19.897 45.786 74.841 1.00 12.11 C ATOM 354 O ARG A 23 19.801 45.524 76.040 1.00 60.03 O ATOM 355 CB ARG A 23 21.523 44.825 73.203 1.00 4.14 C ATOM 356 CG ARG A 23 22.646 44.381 74.127 1.00 34.13 C ATOM 357 CD ARG A 23 23.303 43.103 73.631 1.00 11.51 C ATOM 358 NE ARG A 23 24.613 43.356 73.037 1.00 22.23 N ATOM 359 CZ ARG A 23 25.227 42.506 72.221 1.00 11.15 C ATOM 360 NH1 ARG A 23 24.653 41.353 71.906 1.00 73.30 N ATOM 361 NH2 ARG A 23 26.418 42.807 71.720 1.00 54.43 N ATOM 0 H ARG A 23 19.412 45.154 71.904 1.00 1.41 H new ATOM 0 HA ARG A 23 20.062 43.716 74.322 1.00 73.01 H new ATOM 0 HB2 ARG A 23 21.569 44.242 72.283 1.00 4.14 H new ATOM 0 HB3 ARG A 23 21.682 45.868 72.927 1.00 4.14 H new ATOM 0 HG2 ARG A 23 23.393 45.171 74.199 1.00 34.13 H new ATOM 0 HG3 ARG A 23 22.252 44.223 75.131 1.00 34.13 H new ATOM 0 HD2 ARG A 23 23.410 42.405 74.461 1.00 11.51 H new ATOM 0 HD3 ARG A 23 22.657 42.626 72.894 1.00 11.51 H new ATOM 0 HE ARG A 23 25.082 44.233 73.261 1.00 22.23 H new ATOM 0 HH11 ARG A 23 23.738 41.117 72.290 1.00 73.30 H new ATOM 0 HH12 ARG A 23 25.126 40.702 71.279 1.00 73.30 H new ATOM 0 HH21 ARG A 23 26.864 43.692 71.961 1.00 54.43 H new ATOM 0 HH22 ARG A 23 26.888 42.153 71.094 1.00 54.43 H new ATOM 449 N GLN A 30 6.966 52.243 77.010 1.00 71.03 N ATOM 450 CA GLN A 30 6.643 51.543 75.772 1.00 32.11 C ATOM 451 C GLN A 30 7.157 52.314 74.560 1.00 34.11 C ATOM 452 O GLN A 30 6.557 53.304 74.141 1.00 10.21 O ATOM 453 CB GLN A 30 5.131 51.338 75.657 1.00 71.24 C ATOM 454 CG GLN A 30 4.702 49.887 75.806 1.00 62.30 C ATOM 455 CD GLN A 30 3.708 49.686 76.932 1.00 11.11 C ATOM 456 OE1 GLN A 30 3.456 50.595 77.724 1.00 52.31 O ATOM 457 NE2 GLN A 30 3.136 48.490 77.011 1.00 32.02 N ATOM 0 HA GLN A 30 7.134 50.570 75.796 1.00 32.11 H new ATOM 0 HB2 GLN A 30 4.632 51.936 76.420 1.00 71.24 H new ATOM 0 HB3 GLN A 30 4.795 51.710 74.689 1.00 71.24 H new ATOM 0 HG2 GLN A 30 4.260 49.545 74.870 1.00 62.30 H new ATOM 0 HG3 GLN A 30 5.581 49.269 75.988 1.00 62.30 H new ATOM 0 HE21 GLN A 30 3.374 47.765 76.334 1.00 32.02 H new ATOM 0 HE22 GLN A 30 2.459 48.296 77.749 1.00 32.02 H new ATOM 466 N GLY A 31 8.272 51.855 74.001 1.00 54.42 N ATOM 467 CA GLY A 31 8.848 52.514 72.844 1.00 74.23 C ATOM 468 C GLY A 31 8.203 52.074 71.546 1.00 5.04 C ATOM 469 O GLY A 31 8.320 52.753 70.524 1.00 14.42 O ATOM 0 H GLY A 31 8.787 51.038 74.329 1.00 54.42 H new ATOM 0 HA2 GLY A 31 8.739 53.593 72.953 1.00 74.23 H new ATOM 0 HA3 GLY A 31 9.917 52.304 72.805 1.00 74.23 H new ATOM 473 N ASP A 32 7.522 50.934 71.583 1.00 22.40 N ATOM 474 CA ASP A 32 6.856 50.403 70.399 1.00 4.03 C ATOM 475 C ASP A 32 5.775 51.360 69.907 1.00 61.22 C ATOM 476 O ASP A 32 5.808 51.816 68.763 1.00 53.43 O ATOM 477 CB ASP A 32 6.242 49.034 70.703 1.00 71.34 C ATOM 478 CG ASP A 32 5.466 49.026 72.005 1.00 21.42 C ATOM 479 OD1 ASP A 32 6.098 48.878 73.072 1.00 41.33 O ATOM 480 OD2 ASP A 32 4.226 49.166 71.957 1.00 65.45 O ATOM 0 H ASP A 32 7.417 50.360 72.420 1.00 22.40 H new ATOM 0 HA ASP A 32 7.603 50.292 69.613 1.00 4.03 H new ATOM 0 HB2 ASP A 32 5.580 48.746 69.886 1.00 71.34 H new ATOM 0 HB3 ASP A 32 7.033 48.286 70.750 1.00 71.34 H new ATOM 485 N VAL A 33 4.818 51.661 70.778 1.00 73.44 N ATOM 486 CA VAL A 33 3.727 52.565 70.433 1.00 34.13 C ATOM 487 C VAL A 33 4.155 54.022 70.572 1.00 53.21 C ATOM 488 O VAL A 33 3.732 54.882 69.799 1.00 32.22 O ATOM 489 CB VAL A 33 2.492 52.318 71.320 1.00 32.32 C ATOM 490 CG1 VAL A 33 1.944 50.917 71.094 1.00 25.12 C ATOM 491 CG2 VAL A 33 2.836 52.535 72.786 1.00 25.23 C ATOM 0 H VAL A 33 4.776 51.292 71.728 1.00 73.44 H new ATOM 0 HA VAL A 33 3.466 52.364 69.394 1.00 34.13 H new ATOM 0 HB VAL A 33 1.718 53.034 71.043 1.00 32.32 H new ATOM 0 HG11 VAL A 33 1.072 50.761 71.729 1.00 25.12 H new ATOM 0 HG12 VAL A 33 1.657 50.803 70.049 1.00 25.12 H new ATOM 0 HG13 VAL A 33 2.710 50.182 71.342 1.00 25.12 H new ATOM 0 HG21 VAL A 33 1.952 52.356 73.398 1.00 25.23 H new ATOM 0 HG22 VAL A 33 3.626 51.845 73.080 1.00 25.23 H new ATOM 0 HG23 VAL A 33 3.177 53.560 72.932 1.00 25.23 H new ATOM 501 N LYS A 34 4.997 54.293 71.564 1.00 65.52 N ATOM 502 CA LYS A 34 5.485 55.646 71.805 1.00 42.53 C ATOM 503 C LYS A 34 6.118 56.228 70.545 1.00 52.04 C ATOM 504 O LYS A 34 5.843 57.367 70.170 1.00 61.32 O ATOM 505 CB LYS A 34 6.504 55.646 72.947 1.00 23.12 C ATOM 506 CG LYS A 34 7.240 56.965 73.106 1.00 74.50 C ATOM 507 CD LYS A 34 8.667 56.755 73.578 1.00 42.44 C ATOM 508 CE LYS A 34 9.630 57.707 72.885 1.00 62.13 C ATOM 509 NZ LYS A 34 10.954 57.752 73.567 1.00 31.21 N ATOM 0 H LYS A 34 5.356 53.593 72.214 1.00 65.52 H new ATOM 0 HA LYS A 34 4.635 56.268 72.084 1.00 42.53 H new ATOM 0 HB2 LYS A 34 5.992 55.411 73.880 1.00 23.12 H new ATOM 0 HB3 LYS A 34 7.231 54.853 72.774 1.00 23.12 H new ATOM 0 HG2 LYS A 34 7.245 57.496 72.154 1.00 74.50 H new ATOM 0 HG3 LYS A 34 6.709 57.595 73.820 1.00 74.50 H new ATOM 0 HD2 LYS A 34 8.720 56.904 74.657 1.00 42.44 H new ATOM 0 HD3 LYS A 34 8.968 55.726 73.383 1.00 42.44 H new ATOM 0 HE2 LYS A 34 9.766 57.396 71.849 1.00 62.13 H new ATOM 0 HE3 LYS A 34 9.199 58.708 72.863 1.00 62.13 H new ATOM 0 HZ1 LYS A 34 11.581 58.412 73.064 1.00 31.21 H new ATOM 0 HZ2 LYS A 34 10.828 58.073 74.548 1.00 31.21 H new ATOM 0 HZ3 LYS A 34 11.378 56.802 73.565 1.00 31.21 H new ATOM 523 N VAL A 35 6.967 55.438 69.895 1.00 61.33 N ATOM 524 CA VAL A 35 7.637 55.874 68.676 1.00 60.33 C ATOM 525 C VAL A 35 6.816 55.521 67.441 1.00 60.41 C ATOM 526 O VAL A 35 7.020 56.085 66.365 1.00 0.25 O ATOM 527 CB VAL A 35 9.035 55.243 68.547 1.00 43.53 C ATOM 528 CG1 VAL A 35 9.770 55.296 69.877 1.00 53.42 C ATOM 529 CG2 VAL A 35 8.929 53.811 68.044 1.00 61.35 C ATOM 0 H VAL A 35 7.207 54.492 70.193 1.00 61.33 H new ATOM 0 HA VAL A 35 7.741 56.957 68.742 1.00 60.33 H new ATOM 0 HB VAL A 35 9.608 55.818 67.820 1.00 43.53 H new ATOM 0 HG11 VAL A 35 10.756 54.845 69.766 1.00 53.42 H new ATOM 0 HG12 VAL A 35 9.879 56.334 70.192 1.00 53.42 H new ATOM 0 HG13 VAL A 35 9.203 54.747 70.628 1.00 53.42 H new ATOM 0 HG21 VAL A 35 9.927 53.381 67.959 1.00 61.35 H new ATOM 0 HG22 VAL A 35 8.338 53.222 68.745 1.00 61.35 H new ATOM 0 HG23 VAL A 35 8.446 53.803 67.067 1.00 61.35 H new ATOM 539 N TRP A 36 5.888 54.585 67.603 1.00 72.42 N ATOM 540 CA TRP A 36 5.035 54.157 66.500 1.00 30.32 C ATOM 541 C TRP A 36 4.553 55.354 65.688 1.00 15.04 C ATOM 542 O TRP A 36 4.278 55.235 64.494 1.00 54.31 O ATOM 543 CB TRP A 36 3.836 53.370 67.033 1.00 24.20 C ATOM 544 CG TRP A 36 2.759 53.163 66.010 1.00 63.52 C ATOM 545 CD1 TRP A 36 2.454 51.999 65.364 1.00 45.45 C ATOM 546 CD2 TRP A 36 1.848 54.150 65.515 1.00 73.20 C ATOM 547 NE1 TRP A 36 1.408 52.203 64.497 1.00 54.11 N ATOM 548 CE2 TRP A 36 1.017 53.513 64.572 1.00 60.31 C ATOM 549 CE3 TRP A 36 1.650 55.508 65.778 1.00 4.20 C ATOM 550 CZ2 TRP A 36 0.007 54.191 63.893 1.00 44.12 C ATOM 551 CZ3 TRP A 36 0.648 56.179 65.102 1.00 42.22 C ATOM 552 CH2 TRP A 36 -0.163 55.519 64.169 1.00 72.34 C ATOM 0 H TRP A 36 5.707 54.108 68.486 1.00 72.42 H new ATOM 0 HA TRP A 36 5.623 53.513 65.847 1.00 30.32 H new ATOM 0 HB2 TRP A 36 4.178 52.399 67.392 1.00 24.20 H new ATOM 0 HB3 TRP A 36 3.417 53.897 67.890 1.00 24.20 H new ATOM 0 HD1 TRP A 36 2.961 51.057 65.513 1.00 45.45 H new ATOM 0 HE1 TRP A 36 0.990 51.493 63.895 1.00 54.11 H new ATOM 0 HE3 TRP A 36 2.269 56.024 66.497 1.00 4.20 H new ATOM 0 HZ2 TRP A 36 -0.620 53.685 63.174 1.00 44.12 H new ATOM 0 HZ3 TRP A 36 0.488 57.229 65.296 1.00 42.22 H new ATOM 0 HH2 TRP A 36 -0.938 56.071 63.658 1.00 72.34 H new ATOM 563 N MET A 37 4.451 56.505 66.342 1.00 73.14 N ATOM 564 CA MET A 37 4.003 57.725 65.679 1.00 3.43 C ATOM 565 C MET A 37 5.165 58.421 64.978 1.00 1.43 C ATOM 566 O MET A 37 5.082 58.743 63.793 1.00 72.10 O ATOM 567 CB MET A 37 3.360 58.675 66.691 1.00 53.30 C ATOM 568 CG MET A 37 4.241 58.967 67.895 1.00 60.30 C ATOM 569 SD MET A 37 3.310 59.037 69.437 1.00 44.21 S ATOM 570 CE MET A 37 2.514 57.432 69.425 1.00 64.23 C ATOM 0 H MET A 37 4.672 56.620 67.331 1.00 73.14 H new ATOM 0 HA MET A 37 3.262 57.449 64.929 1.00 3.43 H new ATOM 0 HB2 MET A 37 3.117 59.613 66.193 1.00 53.30 H new ATOM 0 HB3 MET A 37 2.420 58.244 67.035 1.00 53.30 H new ATOM 0 HG2 MET A 37 5.009 58.197 67.973 1.00 60.30 H new ATOM 0 HG3 MET A 37 4.755 59.916 67.742 1.00 60.30 H new ATOM 0 HE1 MET A 37 1.444 57.558 69.257 1.00 64.23 H new ATOM 0 HE2 MET A 37 2.937 56.822 68.627 1.00 64.23 H new ATOM 0 HE3 MET A 37 2.675 56.939 70.383 1.00 64.23 H new ATOM 580 N GLN A 38 6.246 58.648 65.717 1.00 52.24 N ATOM 581 CA GLN A 38 7.424 59.307 65.164 1.00 13.53 C ATOM 582 C GLN A 38 7.933 58.567 63.932 1.00 64.33 C ATOM 583 O GLN A 38 8.518 59.170 63.033 1.00 0.50 O ATOM 584 CB GLN A 38 8.530 59.388 66.218 1.00 34.53 C ATOM 585 CG GLN A 38 9.298 58.089 66.396 1.00 13.24 C ATOM 586 CD GLN A 38 10.723 58.312 66.864 1.00 32.23 C ATOM 587 OE1 GLN A 38 11.051 58.075 68.027 1.00 74.41 O ATOM 588 NE2 GLN A 38 11.578 58.769 65.957 1.00 74.34 N ATOM 0 H GLN A 38 6.331 58.386 66.699 1.00 52.24 H new ATOM 0 HA GLN A 38 7.140 60.316 64.867 1.00 13.53 H new ATOM 0 HB2 GLN A 38 9.228 60.178 65.940 1.00 34.53 H new ATOM 0 HB3 GLN A 38 8.090 59.674 67.173 1.00 34.53 H new ATOM 0 HG2 GLN A 38 8.777 57.460 67.117 1.00 13.24 H new ATOM 0 HG3 GLN A 38 9.311 57.547 65.451 1.00 13.24 H new ATOM 0 HE21 GLN A 38 11.262 58.951 65.005 1.00 74.34 H new ATOM 0 HE22 GLN A 38 12.551 58.938 66.213 1.00 74.34 H new ATOM 597 N ASN A 39 7.706 57.258 63.898 1.00 63.34 N ATOM 598 CA ASN A 39 8.143 56.436 62.775 1.00 60.02 C ATOM 599 C ASN A 39 7.409 56.828 61.496 1.00 3.41 C ATOM 600 O ASN A 39 8.028 57.046 60.453 1.00 42.52 O ATOM 601 CB ASN A 39 7.908 54.955 63.078 1.00 14.10 C ATOM 602 CG ASN A 39 9.192 54.225 63.421 1.00 61.11 C ATOM 603 OD1 ASN A 39 9.542 53.231 62.784 1.00 51.22 O ATOM 604 ND2 ASN A 39 9.900 54.715 64.432 1.00 61.44 N ATOM 0 H ASN A 39 7.222 56.744 64.634 1.00 63.34 H new ATOM 0 HA ASN A 39 9.210 56.605 62.627 1.00 60.02 H new ATOM 0 HB2 ASN A 39 7.208 54.863 63.909 1.00 14.10 H new ATOM 0 HB3 ASN A 39 7.442 54.480 62.215 1.00 14.10 H new ATOM 0 HD21 ASN A 39 10.773 54.265 64.709 1.00 61.44 H new ATOM 0 HD22 ASN A 39 9.571 55.541 64.932 1.00 61.44 H new ATOM 611 N LEU A 40 6.086 56.915 61.582 1.00 51.32 N ATOM 612 CA LEU A 40 5.267 57.282 60.433 1.00 3.45 C ATOM 613 C LEU A 40 5.217 58.796 60.259 1.00 24.11 C ATOM 614 O LEU A 40 4.905 59.296 59.178 1.00 12.34 O ATOM 615 CB LEU A 40 3.849 56.729 60.596 1.00 25.51 C ATOM 616 CG LEU A 40 3.621 55.809 61.796 1.00 63.14 C ATOM 617 CD1 LEU A 40 2.179 55.328 61.832 1.00 32.33 C ATOM 618 CD2 LEU A 40 4.579 54.628 61.753 1.00 33.40 C ATOM 0 H LEU A 40 5.558 56.736 62.436 1.00 51.32 H new ATOM 0 HA LEU A 40 5.721 56.848 59.542 1.00 3.45 H new ATOM 0 HB2 LEU A 40 3.159 57.570 60.672 1.00 25.51 H new ATOM 0 HB3 LEU A 40 3.587 56.183 59.690 1.00 25.51 H new ATOM 0 HG LEU A 40 3.817 56.375 62.707 1.00 63.14 H new ATOM 0 HD11 LEU A 40 2.035 54.674 62.692 1.00 32.33 H new ATOM 0 HD12 LEU A 40 1.511 56.186 61.912 1.00 32.33 H new ATOM 0 HD13 LEU A 40 1.956 54.778 60.918 1.00 32.33 H new ATOM 0 HD21 LEU A 40 4.402 53.984 62.615 1.00 33.40 H new ATOM 0 HD22 LEU A 40 4.416 54.061 60.837 1.00 33.40 H new ATOM 0 HD23 LEU A 40 5.606 54.992 61.777 1.00 33.40 H new ATOM 630 N GLU A 41 5.531 59.520 61.329 1.00 25.23 N ATOM 631 CA GLU A 41 5.524 60.977 61.292 1.00 41.52 C ATOM 632 C GLU A 41 6.204 61.493 60.028 1.00 51.13 C ATOM 633 O GLU A 41 5.741 62.451 59.408 1.00 1.00 O ATOM 634 CB GLU A 41 6.225 61.543 62.529 1.00 72.53 C ATOM 635 CG GLU A 41 5.845 62.981 62.839 1.00 63.53 C ATOM 636 CD GLU A 41 5.505 63.193 64.301 1.00 11.33 C ATOM 637 OE1 GLU A 41 4.584 62.513 64.801 1.00 20.41 O ATOM 638 OE2 GLU A 41 6.160 64.038 64.948 1.00 23.43 O ATOM 0 H GLU A 41 5.793 59.122 62.231 1.00 25.23 H new ATOM 0 HA GLU A 41 4.486 61.310 61.286 1.00 41.52 H new ATOM 0 HB2 GLU A 41 5.985 60.919 63.390 1.00 72.53 H new ATOM 0 HB3 GLU A 41 7.304 61.484 62.384 1.00 72.53 H new ATOM 0 HG2 GLU A 41 6.670 63.638 62.563 1.00 63.53 H new ATOM 0 HG3 GLU A 41 4.990 63.267 62.226 1.00 63.53 H new ATOM 645 N ASP A 42 7.306 60.853 59.652 1.00 71.12 N ATOM 646 CA ASP A 42 8.049 61.246 58.461 1.00 43.54 C ATOM 647 C ASP A 42 7.432 60.634 57.207 1.00 72.34 C ATOM 648 O ASP A 42 6.999 61.351 56.303 1.00 4.45 O ATOM 649 CB ASP A 42 9.514 60.818 58.585 1.00 72.41 C ATOM 650 CG ASP A 42 10.380 61.398 57.484 1.00 42.21 C ATOM 651 OD1 ASP A 42 10.278 60.921 56.334 1.00 74.22 O ATOM 652 OD2 ASP A 42 11.161 62.329 57.774 1.00 21.33 O ATOM 0 H ASP A 42 7.704 60.060 60.155 1.00 71.12 H new ATOM 0 HA ASP A 42 8.000 62.331 58.374 1.00 43.54 H new ATOM 0 HB2 ASP A 42 9.902 61.135 59.553 1.00 72.41 H new ATOM 0 HB3 ASP A 42 9.576 59.730 58.557 1.00 72.41 H new ATOM 657 N LEU A 43 7.396 59.308 57.159 1.00 24.11 N ATOM 658 CA LEU A 43 6.832 58.599 56.016 1.00 64.10 C ATOM 659 C LEU A 43 5.508 59.224 55.586 1.00 42.41 C ATOM 660 O LEU A 43 5.221 59.337 54.394 1.00 23.23 O ATOM 661 CB LEU A 43 6.625 57.122 56.356 1.00 54.21 C ATOM 662 CG LEU A 43 7.521 56.556 57.459 1.00 70.11 C ATOM 663 CD1 LEU A 43 7.267 55.068 57.642 1.00 71.32 C ATOM 664 CD2 LEU A 43 8.986 56.813 57.139 1.00 43.22 C ATOM 0 H LEU A 43 7.751 58.701 57.898 1.00 24.11 H new ATOM 0 HA LEU A 43 7.537 58.679 55.188 1.00 64.10 H new ATOM 0 HB2 LEU A 43 5.585 56.980 56.651 1.00 54.21 H new ATOM 0 HB3 LEU A 43 6.782 56.536 55.451 1.00 54.21 H new ATOM 0 HG LEU A 43 7.279 57.062 58.393 1.00 70.11 H new ATOM 0 HD11 LEU A 43 7.913 54.683 58.431 1.00 71.32 H new ATOM 0 HD12 LEU A 43 6.224 54.908 57.917 1.00 71.32 H new ATOM 0 HD13 LEU A 43 7.481 54.545 56.710 1.00 71.32 H new ATOM 0 HD21 LEU A 43 9.609 56.404 57.934 1.00 43.22 H new ATOM 0 HD22 LEU A 43 9.242 56.333 56.194 1.00 43.22 H new ATOM 0 HD23 LEU A 43 9.158 57.886 57.059 1.00 43.22 H new ATOM 676 N HIS A 44 4.706 59.630 56.565 1.00 42.11 N ATOM 677 CA HIS A 44 3.414 60.247 56.288 1.00 11.41 C ATOM 678 C HIS A 44 3.518 61.228 55.125 1.00 51.55 C ATOM 679 O HIS A 44 2.591 61.361 54.325 1.00 40.21 O ATOM 680 CB HIS A 44 2.892 60.966 57.532 1.00 12.10 C ATOM 681 CG HIS A 44 1.505 60.557 57.923 1.00 35.50 C ATOM 682 ND1 HIS A 44 1.095 60.444 59.234 1.00 10.43 N ATOM 683 CD2 HIS A 44 0.430 60.237 57.165 1.00 71.11 C ATOM 684 CE1 HIS A 44 -0.172 60.069 59.266 1.00 43.41 C ATOM 685 NE2 HIS A 44 -0.599 59.937 58.023 1.00 50.04 N ATOM 0 H HIS A 44 4.928 59.543 57.557 1.00 42.11 H new ATOM 0 HA HIS A 44 2.714 59.458 56.013 1.00 11.41 H new ATOM 0 HB2 HIS A 44 3.568 60.771 58.365 1.00 12.10 H new ATOM 0 HB3 HIS A 44 2.908 62.041 57.354 1.00 12.10 H new ATOM 0 HD2 HIS A 44 0.389 60.221 56.086 1.00 71.11 H new ATOM 0 HE1 HIS A 44 -0.758 59.899 60.157 1.00 43.41 H new ATOM 0 HE2 HIS A 44 -1.540 59.658 57.746 1.00 50.04 H new ATOM 693 N THR A 45 4.652 61.916 55.036 1.00 41.51 N ATOM 694 CA THR A 45 4.878 62.886 53.973 1.00 75.52 C ATOM 695 C THR A 45 5.349 62.201 52.695 1.00 74.02 C ATOM 696 O THR A 45 5.041 62.650 51.590 1.00 4.22 O ATOM 697 CB THR A 45 5.917 63.944 54.388 1.00 34.31 C ATOM 698 OG1 THR A 45 5.780 65.112 53.570 1.00 54.33 O ATOM 699 CG2 THR A 45 7.329 63.394 54.264 1.00 71.23 C ATOM 0 H THR A 45 5.429 61.819 55.689 1.00 41.51 H new ATOM 0 HA THR A 45 3.924 63.379 53.788 1.00 75.52 H new ATOM 0 HB THR A 45 5.738 64.208 55.430 1.00 34.31 H new ATOM 0 HG1 THR A 45 6.443 65.781 53.841 1.00 54.33 H new ATOM 0 HG21 THR A 45 8.045 64.160 54.563 1.00 71.23 H new ATOM 0 HG22 THR A 45 7.438 62.523 54.910 1.00 71.23 H new ATOM 0 HG23 THR A 45 7.517 63.105 53.230 1.00 71.23 H new ATOM 707 N ARG A 46 6.096 61.114 52.852 1.00 54.40 N ATOM 708 CA ARG A 46 6.610 60.368 51.710 1.00 55.41 C ATOM 709 C ARG A 46 5.534 59.456 51.128 1.00 44.13 C ATOM 710 O ARG A 46 5.047 59.684 50.020 1.00 62.31 O ATOM 711 CB ARG A 46 7.829 59.539 52.122 1.00 15.23 C ATOM 712 CG ARG A 46 9.133 60.030 51.515 1.00 14.02 C ATOM 713 CD ARG A 46 9.896 58.898 50.845 1.00 12.11 C ATOM 714 NE ARG A 46 11.324 58.947 51.147 1.00 73.21 N ATOM 715 CZ ARG A 46 12.245 58.292 50.449 1.00 4.54 C ATOM 716 NH1 ARG A 46 11.890 57.542 49.416 1.00 12.33 N ATOM 717 NH2 ARG A 46 13.525 58.386 50.786 1.00 71.44 N ATOM 0 H ARG A 46 6.359 60.730 53.760 1.00 54.40 H new ATOM 0 HA ARG A 46 6.908 61.084 50.944 1.00 55.41 H new ATOM 0 HB2 ARG A 46 7.916 59.552 53.208 1.00 15.23 H new ATOM 0 HB3 ARG A 46 7.669 58.502 51.827 1.00 15.23 H new ATOM 0 HG2 ARG A 46 8.924 60.812 50.785 1.00 14.02 H new ATOM 0 HG3 ARG A 46 9.752 60.477 52.293 1.00 14.02 H new ATOM 0 HD2 ARG A 46 9.489 57.942 51.174 1.00 12.11 H new ATOM 0 HD3 ARG A 46 9.752 58.952 49.766 1.00 12.11 H new ATOM 0 HE ARG A 46 11.631 59.515 51.937 1.00 73.21 H new ATOM 0 HH11 ARG A 46 10.907 57.466 49.155 1.00 12.33 H new ATOM 0 HH12 ARG A 46 12.600 57.040 48.882 1.00 12.33 H new ATOM 0 HH21 ARG A 46 13.802 58.961 51.581 1.00 71.44 H new ATOM 0 HH22 ARG A 46 14.232 57.883 50.250 1.00 71.44 H new ATOM 731 N ARG A 47 5.170 58.424 51.880 1.00 52.40 N ATOM 732 CA ARG A 47 4.153 57.477 51.438 1.00 64.12 C ATOM 733 C ARG A 47 3.479 56.805 52.631 1.00 60.42 C ATOM 734 O ARG A 47 4.135 56.286 53.534 1.00 34.01 O ATOM 735 CB ARG A 47 4.775 56.417 50.527 1.00 3.12 C ATOM 736 CG ARG A 47 3.805 55.321 50.116 1.00 73.01 C ATOM 737 CD ARG A 47 4.522 54.000 49.884 1.00 72.32 C ATOM 738 NE ARG A 47 4.293 53.483 48.537 1.00 42.12 N ATOM 739 CZ ARG A 47 4.998 53.860 47.476 1.00 42.12 C ATOM 740 NH1 ARG A 47 5.971 54.752 47.604 1.00 31.21 N ATOM 741 NH2 ARG A 47 4.731 53.344 46.283 1.00 15.14 N ATOM 0 H ARG A 47 5.564 58.222 52.799 1.00 52.40 H new ATOM 0 HA ARG A 47 3.397 58.029 50.880 1.00 64.12 H new ATOM 0 HB2 ARG A 47 5.162 56.902 49.631 1.00 3.12 H new ATOM 0 HB3 ARG A 47 5.625 55.965 51.038 1.00 3.12 H new ATOM 0 HG2 ARG A 47 3.048 55.194 50.890 1.00 73.01 H new ATOM 0 HG3 ARG A 47 3.283 55.618 49.206 1.00 73.01 H new ATOM 0 HD2 ARG A 47 5.592 54.135 50.044 1.00 72.32 H new ATOM 0 HD3 ARG A 47 4.180 53.268 50.616 1.00 72.32 H new ATOM 0 HE ARG A 47 3.552 52.795 48.404 1.00 42.12 H new ATOM 0 HH11 ARG A 47 6.180 55.151 48.519 1.00 31.21 H new ATOM 0 HH12 ARG A 47 6.510 55.039 46.787 1.00 31.21 H new ATOM 0 HH21 ARG A 47 3.984 52.657 46.180 1.00 15.14 H new ATOM 0 HH22 ARG A 47 5.273 53.634 45.469 1.00 15.14 H new ATOM 755 N PRO A 48 2.138 56.816 52.636 1.00 65.33 N ATOM 756 CA PRO A 48 1.346 56.213 53.712 1.00 31.44 C ATOM 757 C PRO A 48 1.431 54.690 53.710 1.00 51.43 C ATOM 758 O PRO A 48 1.735 54.076 54.733 1.00 14.54 O ATOM 759 CB PRO A 48 -0.082 56.668 53.399 1.00 22.34 C ATOM 760 CG PRO A 48 -0.087 56.919 51.930 1.00 44.14 C ATOM 761 CD PRO A 48 1.291 57.417 51.591 1.00 51.01 C ATOM 0 HA PRO A 48 1.699 56.517 54.697 1.00 31.44 H new ATOM 0 HB2 PRO A 48 -0.810 55.904 53.672 1.00 22.34 H new ATOM 0 HB3 PRO A 48 -0.341 57.569 53.955 1.00 22.34 H new ATOM 0 HG2 PRO A 48 -0.319 56.008 51.379 1.00 44.14 H new ATOM 0 HG3 PRO A 48 -0.845 57.655 51.662 1.00 44.14 H new ATOM 0 HD2 PRO A 48 1.598 57.101 50.594 1.00 51.01 H new ATOM 0 HD3 PRO A 48 1.341 58.506 51.610 1.00 51.01 H new ATOM 769 N ASP A 49 1.164 54.088 52.557 1.00 61.04 N ATOM 770 CA ASP A 49 1.213 52.636 52.423 1.00 33.21 C ATOM 771 C ASP A 49 2.466 52.072 53.085 1.00 45.14 C ATOM 772 O ASP A 49 2.469 50.938 53.562 1.00 12.25 O ATOM 773 CB ASP A 49 1.176 52.237 50.947 1.00 62.24 C ATOM 774 CG ASP A 49 1.245 50.735 50.751 1.00 74.31 C ATOM 775 OD1 ASP A 49 0.413 50.021 51.350 1.00 3.43 O ATOM 776 OD2 ASP A 49 2.129 50.276 49.999 1.00 32.42 O ATOM 0 H ASP A 49 0.911 54.582 51.701 1.00 61.04 H new ATOM 0 HA ASP A 49 0.340 52.219 52.925 1.00 33.21 H new ATOM 0 HB2 ASP A 49 0.261 52.618 50.494 1.00 62.24 H new ATOM 0 HB3 ASP A 49 2.010 52.707 50.426 1.00 62.24 H new ATOM 781 N GLU A 50 3.529 52.870 53.106 1.00 13.22 N ATOM 782 CA GLU A 50 4.788 52.447 53.706 1.00 55.54 C ATOM 783 C GLU A 50 4.839 52.823 55.185 1.00 72.14 C ATOM 784 O GLU A 50 5.566 52.211 55.968 1.00 1.32 O ATOM 785 CB GLU A 50 5.969 53.081 52.968 1.00 41.53 C ATOM 786 CG GLU A 50 7.213 52.209 52.948 1.00 21.23 C ATOM 787 CD GLU A 50 7.437 51.544 51.603 1.00 74.43 C ATOM 788 OE1 GLU A 50 8.039 52.187 50.717 1.00 21.22 O ATOM 789 OE2 GLU A 50 7.010 50.383 51.436 1.00 64.20 O ATOM 0 H GLU A 50 3.543 53.812 52.715 1.00 13.22 H new ATOM 0 HA GLU A 50 4.855 51.362 53.621 1.00 55.54 H new ATOM 0 HB2 GLU A 50 5.671 53.298 51.942 1.00 41.53 H new ATOM 0 HB3 GLU A 50 6.211 54.034 53.438 1.00 41.53 H new ATOM 0 HG2 GLU A 50 8.083 52.817 53.198 1.00 21.23 H new ATOM 0 HG3 GLU A 50 7.128 51.443 53.718 1.00 21.23 H new ATOM 796 N PHE A 51 4.062 53.834 55.560 1.00 12.42 N ATOM 797 CA PHE A 51 4.018 54.293 56.943 1.00 52.23 C ATOM 798 C PHE A 51 3.852 53.117 57.901 1.00 73.33 C ATOM 799 O PHE A 51 4.439 53.095 58.984 1.00 40.50 O ATOM 800 CB PHE A 51 2.873 55.289 57.137 1.00 10.11 C ATOM 801 CG PHE A 51 1.668 54.694 57.808 1.00 51.14 C ATOM 802 CD1 PHE A 51 1.753 54.198 59.099 1.00 13.45 C ATOM 803 CD2 PHE A 51 0.452 54.633 57.149 1.00 12.35 C ATOM 804 CE1 PHE A 51 0.646 53.649 59.718 1.00 52.30 C ATOM 805 CE2 PHE A 51 -0.660 54.086 57.764 1.00 5.43 C ATOM 806 CZ PHE A 51 -0.562 53.594 59.051 1.00 51.31 C ATOM 0 H PHE A 51 3.454 54.351 54.925 1.00 12.42 H new ATOM 0 HA PHE A 51 4.963 54.789 57.165 1.00 52.23 H new ATOM 0 HB2 PHE A 51 3.231 56.131 57.730 1.00 10.11 H new ATOM 0 HB3 PHE A 51 2.579 55.686 56.165 1.00 10.11 H new ATOM 0 HD1 PHE A 51 2.694 54.241 59.627 1.00 13.45 H new ATOM 0 HD2 PHE A 51 0.371 55.017 56.143 1.00 12.35 H new ATOM 0 HE1 PHE A 51 0.726 53.263 60.723 1.00 52.30 H new ATOM 0 HE2 PHE A 51 -1.603 54.044 57.239 1.00 5.43 H new ATOM 0 HZ PHE A 51 -1.428 53.167 59.535 1.00 51.31 H new ATOM 816 N THR A 52 3.046 52.140 57.496 1.00 54.05 N ATOM 817 CA THR A 52 2.800 50.962 58.317 1.00 11.45 C ATOM 818 C THR A 52 3.934 49.951 58.184 1.00 75.43 C ATOM 819 O THR A 52 4.139 49.115 59.063 1.00 32.52 O ATOM 820 CB THR A 52 1.472 50.280 57.937 1.00 44.13 C ATOM 821 OG1 THR A 52 1.644 49.502 56.747 1.00 4.31 O ATOM 822 CG2 THR A 52 0.376 51.312 57.721 1.00 24.22 C ATOM 0 H THR A 52 2.552 52.142 56.603 1.00 54.05 H new ATOM 0 HA THR A 52 2.742 51.304 59.350 1.00 11.45 H new ATOM 0 HB THR A 52 1.176 49.627 58.758 1.00 44.13 H new ATOM 0 HG1 THR A 52 0.796 49.070 56.513 1.00 4.31 H new ATOM 0 HG21 THR A 52 -0.552 50.807 57.454 1.00 24.22 H new ATOM 0 HG22 THR A 52 0.227 51.882 58.638 1.00 24.22 H new ATOM 0 HG23 THR A 52 0.666 51.988 56.916 1.00 24.22 H new ATOM 830 N ALA A 53 4.668 50.036 57.080 1.00 24.21 N ATOM 831 CA ALA A 53 5.783 49.131 56.833 1.00 1.21 C ATOM 832 C ALA A 53 6.927 49.391 57.807 1.00 20.12 C ATOM 833 O ALA A 53 7.745 48.509 58.068 1.00 13.34 O ATOM 834 CB ALA A 53 6.267 49.269 55.397 1.00 41.13 C ATOM 0 H ALA A 53 4.510 50.723 56.342 1.00 24.21 H new ATOM 0 HA ALA A 53 5.432 48.111 56.990 1.00 1.21 H new ATOM 0 HB1 ALA A 53 7.100 48.587 55.227 1.00 41.13 H new ATOM 0 HB2 ALA A 53 5.453 49.026 54.714 1.00 41.13 H new ATOM 0 HB3 ALA A 53 6.595 50.293 55.220 1.00 41.13 H new ATOM 840 N ARG A 54 6.980 50.607 58.339 1.00 21.52 N ATOM 841 CA ARG A 54 8.025 50.983 59.282 1.00 72.55 C ATOM 842 C ARG A 54 7.848 50.255 60.610 1.00 55.52 C ATOM 843 O ARG A 54 8.667 49.414 60.984 1.00 23.24 O ATOM 844 CB ARG A 54 8.014 52.497 59.513 1.00 22.33 C ATOM 845 CG ARG A 54 9.394 53.130 59.465 1.00 52.03 C ATOM 846 CD ARG A 54 10.009 53.022 58.079 1.00 55.15 C ATOM 847 NE ARG A 54 10.854 51.839 57.946 1.00 12.40 N ATOM 848 CZ ARG A 54 11.259 51.352 56.779 1.00 11.11 C ATOM 849 NH1 ARG A 54 10.899 51.945 55.649 1.00 32.05 N ATOM 850 NH2 ARG A 54 12.027 50.271 56.740 1.00 2.30 N ATOM 0 H ARG A 54 6.311 51.349 58.133 1.00 21.52 H new ATOM 0 HA ARG A 54 8.985 50.694 58.854 1.00 72.55 H new ATOM 0 HB2 ARG A 54 7.382 52.966 58.759 1.00 22.33 H new ATOM 0 HB3 ARG A 54 7.562 52.705 60.483 1.00 22.33 H new ATOM 0 HG2 ARG A 54 9.324 54.179 59.752 1.00 52.03 H new ATOM 0 HG3 ARG A 54 10.044 52.643 60.192 1.00 52.03 H new ATOM 0 HD2 ARG A 54 9.216 52.987 57.332 1.00 55.15 H new ATOM 0 HD3 ARG A 54 10.600 53.915 57.874 1.00 55.15 H new ATOM 0 HE ARG A 54 11.150 51.360 58.797 1.00 12.40 H new ATOM 0 HH11 ARG A 54 10.310 52.777 55.675 1.00 32.05 H new ATOM 0 HH12 ARG A 54 11.211 51.569 54.754 1.00 32.05 H new ATOM 0 HH21 ARG A 54 12.307 49.813 57.607 1.00 2.30 H new ATOM 0 HH22 ARG A 54 12.337 49.898 55.843 1.00 2.30 H new ATOM 864 N LEU A 55 6.774 50.583 61.320 1.00 1.53 N ATOM 865 CA LEU A 55 6.488 49.959 62.608 1.00 53.21 C ATOM 866 C LEU A 55 6.087 48.499 62.429 1.00 42.22 C ATOM 867 O LEU A 55 6.120 47.716 63.378 1.00 0.12 O ATOM 868 CB LEU A 55 5.374 50.721 63.329 1.00 65.01 C ATOM 869 CG LEU A 55 3.948 50.424 62.863 1.00 71.15 C ATOM 870 CD1 LEU A 55 3.803 50.706 61.375 1.00 40.35 C ATOM 871 CD2 LEU A 55 3.574 48.982 63.173 1.00 73.03 C ATOM 0 H LEU A 55 6.087 51.277 61.026 1.00 1.53 H new ATOM 0 HA LEU A 55 7.395 49.996 63.211 1.00 53.21 H new ATOM 0 HB2 LEU A 55 5.440 50.500 64.394 1.00 65.01 H new ATOM 0 HB3 LEU A 55 5.558 51.789 63.213 1.00 65.01 H new ATOM 0 HG LEU A 55 3.266 51.079 63.405 1.00 71.15 H new ATOM 0 HD11 LEU A 55 2.782 50.489 61.061 1.00 40.35 H new ATOM 0 HD12 LEU A 55 4.027 51.755 61.180 1.00 40.35 H new ATOM 0 HD13 LEU A 55 4.496 50.077 60.816 1.00 40.35 H new ATOM 0 HD21 LEU A 55 2.556 48.789 62.834 1.00 73.03 H new ATOM 0 HD22 LEU A 55 4.261 48.309 62.659 1.00 73.03 H new ATOM 0 HD23 LEU A 55 3.637 48.813 64.248 1.00 73.03 H new ATOM 883 N GLN A 56 5.714 48.139 61.205 1.00 2.33 N ATOM 884 CA GLN A 56 5.309 46.771 60.903 1.00 65.14 C ATOM 885 C GLN A 56 6.311 45.769 61.468 1.00 31.52 C ATOM 886 O GLN A 56 5.959 44.628 61.765 1.00 22.02 O ATOM 887 CB GLN A 56 5.176 46.579 59.390 1.00 50.40 C ATOM 888 CG GLN A 56 5.414 45.148 58.936 1.00 52.13 C ATOM 889 CD GLN A 56 4.338 44.196 59.416 1.00 12.35 C ATOM 890 OE1 GLN A 56 3.262 44.620 59.840 1.00 22.42 O ATOM 891 NE2 GLN A 56 4.622 42.900 59.354 1.00 52.32 N ATOM 0 H GLN A 56 5.684 48.774 60.408 1.00 2.33 H new ATOM 0 HA GLN A 56 4.341 46.593 61.372 1.00 65.14 H new ATOM 0 HB2 GLN A 56 4.178 46.889 59.079 1.00 50.40 H new ATOM 0 HB3 GLN A 56 5.885 47.235 58.885 1.00 50.40 H new ATOM 0 HG2 GLN A 56 5.459 45.119 57.847 1.00 52.13 H new ATOM 0 HG3 GLN A 56 6.383 44.811 59.304 1.00 52.13 H new ATOM 0 HE21 GLN A 56 5.526 42.593 58.996 1.00 52.32 H new ATOM 0 HE22 GLN A 56 3.936 42.212 59.665 1.00 52.32 H new ATOM 900 N GLN A 57 7.558 46.204 61.614 1.00 61.30 N ATOM 901 CA GLN A 57 8.610 45.344 62.142 1.00 33.05 C ATOM 902 C GLN A 57 8.481 45.195 63.655 1.00 40.33 C ATOM 903 O GLN A 57 8.750 44.129 64.208 1.00 42.31 O ATOM 904 CB GLN A 57 9.986 45.909 61.789 1.00 60.43 C ATOM 905 CG GLN A 57 10.683 45.156 60.667 1.00 61.13 C ATOM 906 CD GLN A 57 10.755 43.664 60.923 1.00 44.54 C ATOM 907 OE1 GLN A 57 11.618 43.192 61.664 1.00 24.15 O ATOM 908 NE2 GLN A 57 9.849 42.913 60.309 1.00 53.21 N ATOM 0 H GLN A 57 7.865 47.147 61.374 1.00 61.30 H new ATOM 0 HA GLN A 57 8.503 44.359 61.687 1.00 33.05 H new ATOM 0 HB2 GLN A 57 9.877 46.955 61.501 1.00 60.43 H new ATOM 0 HB3 GLN A 57 10.617 45.887 62.677 1.00 60.43 H new ATOM 0 HG2 GLN A 57 10.154 45.335 59.731 1.00 61.13 H new ATOM 0 HG3 GLN A 57 11.692 45.549 60.543 1.00 61.13 H new ATOM 0 HE21 GLN A 57 9.152 43.347 59.704 1.00 53.21 H new ATOM 0 HE22 GLN A 57 9.850 41.902 60.442 1.00 53.21 H new ATOM 917 N SER A 58 8.070 46.271 64.318 1.00 30.45 N ATOM 918 CA SER A 58 7.909 46.261 65.767 1.00 44.30 C ATOM 919 C SER A 58 6.797 45.305 66.185 1.00 23.53 C ATOM 920 O SER A 58 7.035 44.327 66.894 1.00 44.30 O ATOM 921 CB SER A 58 7.604 47.670 66.278 1.00 72.33 C ATOM 922 OG SER A 58 8.568 48.600 65.815 1.00 23.40 O ATOM 0 H SER A 58 7.842 47.161 63.875 1.00 30.45 H new ATOM 0 HA SER A 58 8.845 45.917 66.208 1.00 44.30 H new ATOM 0 HB2 SER A 58 6.612 47.974 65.945 1.00 72.33 H new ATOM 0 HB3 SER A 58 7.589 47.670 67.368 1.00 72.33 H new ATOM 0 HG SER A 58 8.350 49.493 66.154 1.00 23.40 H new ATOM 928 N THR A 59 5.578 45.594 65.739 1.00 45.32 N ATOM 929 CA THR A 59 4.427 44.762 66.066 1.00 32.02 C ATOM 930 C THR A 59 4.634 43.328 65.595 1.00 25.02 C ATOM 931 O THR A 59 4.003 42.400 66.101 1.00 73.21 O ATOM 932 CB THR A 59 3.136 45.317 65.436 1.00 64.01 C ATOM 933 OG1 THR A 59 2.969 46.694 65.790 1.00 5.21 O ATOM 934 CG2 THR A 59 1.924 44.519 65.895 1.00 71.45 C ATOM 0 H THR A 59 5.363 46.399 65.150 1.00 45.32 H new ATOM 0 HA THR A 59 4.326 44.773 67.151 1.00 32.02 H new ATOM 0 HB THR A 59 3.220 45.230 64.353 1.00 64.01 H new ATOM 0 HG1 THR A 59 2.147 47.039 65.384 1.00 5.21 H new ATOM 0 HG21 THR A 59 1.024 44.929 65.437 1.00 71.45 H new ATOM 0 HG22 THR A 59 2.040 43.477 65.597 1.00 71.45 H new ATOM 0 HG23 THR A 59 1.839 44.579 66.980 1.00 71.45 H new ATOM 942 N ASP A 60 5.522 43.152 64.621 1.00 13.31 N ATOM 943 CA ASP A 60 5.813 41.828 64.083 1.00 33.21 C ATOM 944 C ASP A 60 6.078 40.831 65.205 1.00 1.31 C ATOM 945 O ASP A 60 5.381 39.824 65.333 1.00 63.41 O ATOM 946 CB ASP A 60 7.018 41.891 63.144 1.00 44.32 C ATOM 947 CG ASP A 60 6.705 41.353 61.761 1.00 12.11 C ATOM 948 OD1 ASP A 60 6.391 40.150 61.651 1.00 1.14 O ATOM 949 OD2 ASP A 60 6.774 42.136 60.790 1.00 33.12 O ATOM 0 H ASP A 60 6.052 43.909 64.189 1.00 13.31 H new ATOM 0 HA ASP A 60 4.941 41.491 63.522 1.00 33.21 H new ATOM 0 HB2 ASP A 60 7.356 42.924 63.061 1.00 44.32 H new ATOM 0 HB3 ASP A 60 7.841 41.320 63.575 1.00 44.32 H new ATOM 954 N ALA A 61 7.091 41.116 66.018 1.00 65.43 N ATOM 955 CA ALA A 61 7.448 40.244 67.130 1.00 20.11 C ATOM 956 C ALA A 61 6.224 39.901 67.972 1.00 40.23 C ATOM 957 O ALA A 61 5.942 38.729 68.227 1.00 51.14 O ATOM 958 CB ALA A 61 8.517 40.899 67.991 1.00 51.25 C ATOM 0 H ALA A 61 7.679 41.945 65.927 1.00 65.43 H new ATOM 0 HA ALA A 61 7.846 39.316 66.720 1.00 20.11 H new ATOM 0 HB1 ALA A 61 8.774 40.237 68.818 1.00 51.25 H new ATOM 0 HB2 ALA A 61 9.405 41.088 67.388 1.00 51.25 H new ATOM 0 HB3 ALA A 61 8.139 41.842 68.386 1.00 51.25 H new ATOM 964 N LEU A 62 5.500 40.928 68.402 1.00 41.01 N ATOM 965 CA LEU A 62 4.306 40.735 69.217 1.00 12.10 C ATOM 966 C LEU A 62 3.307 39.822 68.513 1.00 44.32 C ATOM 967 O LEU A 62 2.733 38.924 69.127 1.00 14.34 O ATOM 968 CB LEU A 62 3.652 42.083 69.526 1.00 22.20 C ATOM 969 CG LEU A 62 2.336 42.028 70.302 1.00 0.34 C ATOM 970 CD1 LEU A 62 2.549 42.457 71.746 1.00 11.10 C ATOM 971 CD2 LEU A 62 1.285 42.902 69.633 1.00 53.34 C ATOM 0 H LEU A 62 5.719 41.903 68.200 1.00 41.01 H new ATOM 0 HA LEU A 62 4.607 40.261 70.151 1.00 12.10 H new ATOM 0 HB2 LEU A 62 4.360 42.686 70.094 1.00 22.20 H new ATOM 0 HB3 LEU A 62 3.474 42.602 68.584 1.00 22.20 H new ATOM 0 HG LEU A 62 1.978 40.998 70.300 1.00 0.34 H new ATOM 0 HD11 LEU A 62 1.601 42.411 72.283 1.00 11.10 H new ATOM 0 HD12 LEU A 62 3.268 41.790 72.222 1.00 11.10 H new ATOM 0 HD13 LEU A 62 2.931 43.478 71.770 1.00 11.10 H new ATOM 0 HD21 LEU A 62 0.355 42.850 70.199 1.00 53.34 H new ATOM 0 HD22 LEU A 62 1.635 43.934 69.603 1.00 53.34 H new ATOM 0 HD23 LEU A 62 1.111 42.549 68.617 1.00 53.34 H new ATOM 983 N TYR A 63 3.109 40.057 67.221 1.00 21.21 N ATOM 984 CA TYR A 63 2.180 39.256 66.432 1.00 43.24 C ATOM 985 C TYR A 63 2.460 37.766 66.609 1.00 70.10 C ATOM 986 O TYR A 63 1.549 36.979 66.866 1.00 64.04 O ATOM 987 CB TYR A 63 2.278 39.632 64.952 1.00 54.13 C ATOM 988 CG TYR A 63 2.348 38.438 64.027 1.00 34.11 C ATOM 989 CD1 TYR A 63 3.552 37.786 63.794 1.00 24.45 C ATOM 990 CD2 TYR A 63 1.210 37.964 63.387 1.00 4.32 C ATOM 991 CE1 TYR A 63 3.621 36.695 62.948 1.00 11.44 C ATOM 992 CE2 TYR A 63 1.270 36.872 62.541 1.00 75.10 C ATOM 993 CZ TYR A 63 2.477 36.242 62.326 1.00 24.51 C ATOM 994 OH TYR A 63 2.540 35.156 61.482 1.00 11.23 O ATOM 0 H TYR A 63 3.579 40.795 66.697 1.00 21.21 H new ATOM 0 HA TYR A 63 1.170 39.463 66.786 1.00 43.24 H new ATOM 0 HB2 TYR A 63 1.414 40.240 64.682 1.00 54.13 H new ATOM 0 HB3 TYR A 63 3.163 40.250 64.801 1.00 54.13 H new ATOM 0 HD1 TYR A 63 4.449 38.137 64.282 1.00 24.45 H new ATOM 0 HD2 TYR A 63 0.263 38.456 63.553 1.00 4.32 H new ATOM 0 HE1 TYR A 63 4.565 36.200 62.775 1.00 11.44 H new ATOM 0 HE2 TYR A 63 0.376 36.515 62.051 1.00 75.10 H new ATOM 0 HH TYR A 63 1.647 34.966 61.127 1.00 11.23 H new ATOM 1004 N SER A 64 3.726 37.388 66.470 1.00 42.52 N ATOM 1005 CA SER A 64 4.128 35.993 66.611 1.00 10.05 C ATOM 1006 C SER A 64 4.017 35.540 68.064 1.00 32.32 C ATOM 1007 O SER A 64 3.699 34.383 68.343 1.00 35.40 O ATOM 1008 CB SER A 64 5.561 35.799 66.112 1.00 0.22 C ATOM 1009 OG SER A 64 5.630 34.760 65.152 1.00 43.33 O ATOM 0 H SER A 64 4.492 38.028 66.260 1.00 42.52 H new ATOM 0 HA SER A 64 3.456 35.384 66.006 1.00 10.05 H new ATOM 0 HB2 SER A 64 5.926 36.728 65.674 1.00 0.22 H new ATOM 0 HB3 SER A 64 6.214 35.565 66.953 1.00 0.22 H new ATOM 0 HG SER A 64 5.136 35.024 64.348 1.00 43.33 H new ATOM 1015 N HIS A 65 4.281 36.460 68.986 1.00 61.11 N ATOM 1016 CA HIS A 65 4.210 36.156 70.410 1.00 53.03 C ATOM 1017 C HIS A 65 2.792 35.768 70.814 1.00 20.24 C ATOM 1018 O HIS A 65 2.583 34.776 71.513 1.00 42.40 O ATOM 1019 CB HIS A 65 4.675 37.359 71.233 1.00 63.00 C ATOM 1020 CG HIS A 65 4.659 37.116 72.711 1.00 44.54 C ATOM 1021 ND1 HIS A 65 3.498 36.935 73.431 1.00 3.44 N ATOM 1022 CD2 HIS A 65 5.672 37.023 73.603 1.00 44.54 C ATOM 1023 CE1 HIS A 65 3.797 36.743 74.704 1.00 24.11 C ATOM 1024 NE2 HIS A 65 5.111 36.791 74.835 1.00 24.04 N ATOM 0 H HIS A 65 4.546 37.422 68.772 1.00 61.11 H new ATOM 0 HA HIS A 65 4.869 35.311 70.609 1.00 53.03 H new ATOM 0 HB2 HIS A 65 5.686 37.628 70.928 1.00 63.00 H new ATOM 0 HB3 HIS A 65 4.036 38.213 71.007 1.00 63.00 H new ATOM 0 HD2 HIS A 65 6.726 37.114 73.386 1.00 44.54 H new ATOM 0 HE1 HIS A 65 3.088 36.575 75.501 1.00 24.11 H new ATOM 0 HE2 HIS A 65 5.625 36.675 75.708 1.00 24.04 H new ATOM 1032 N LEU A 66 1.819 36.556 70.369 1.00 14.53 N ATOM 1033 CA LEU A 66 0.418 36.294 70.685 1.00 71.12 C ATOM 1034 C LEU A 66 -0.110 35.113 69.878 1.00 34.31 C ATOM 1035 O LEU A 66 -0.781 34.232 70.416 1.00 72.41 O ATOM 1036 CB LEU A 66 -0.428 37.537 70.405 1.00 75.40 C ATOM 1037 CG LEU A 66 -1.943 37.354 70.503 1.00 60.01 C ATOM 1038 CD1 LEU A 66 -2.539 38.350 71.486 1.00 51.30 C ATOM 1039 CD2 LEU A 66 -2.588 37.503 69.133 1.00 11.04 C ATOM 0 H LEU A 66 1.974 37.381 69.789 1.00 14.53 H new ATOM 0 HA LEU A 66 0.349 36.046 71.744 1.00 71.12 H new ATOM 0 HB2 LEU A 66 -0.131 38.319 71.104 1.00 75.40 H new ATOM 0 HB3 LEU A 66 -0.190 37.896 69.404 1.00 75.40 H new ATOM 0 HG LEU A 66 -2.145 36.348 70.870 1.00 60.01 H new ATOM 0 HD11 LEU A 66 -3.618 38.205 71.542 1.00 51.30 H new ATOM 0 HD12 LEU A 66 -2.100 38.196 72.472 1.00 51.30 H new ATOM 0 HD13 LEU A 66 -2.327 39.365 71.149 1.00 51.30 H new ATOM 0 HD21 LEU A 66 -3.666 37.370 69.222 1.00 11.04 H new ATOM 0 HD22 LEU A 66 -2.377 38.496 68.737 1.00 11.04 H new ATOM 0 HD23 LEU A 66 -2.184 36.750 68.457 1.00 11.04 H new ATOM 1051 N GLU A 67 0.199 35.099 68.586 1.00 63.55 N ATOM 1052 CA GLU A 67 -0.244 34.024 67.705 1.00 72.44 C ATOM 1053 C GLU A 67 0.381 32.694 68.114 1.00 53.22 C ATOM 1054 O GLU A 67 -0.249 31.643 68.007 1.00 1.43 O ATOM 1055 CB GLU A 67 0.116 34.344 66.252 1.00 55.23 C ATOM 1056 CG GLU A 67 -0.669 33.529 65.238 1.00 50.41 C ATOM 1057 CD GLU A 67 0.208 32.572 64.455 1.00 0.24 C ATOM 1058 OE1 GLU A 67 1.193 32.063 65.032 1.00 72.32 O ATOM 1059 OE2 GLU A 67 -0.089 32.330 63.267 1.00 72.11 O ATOM 0 H GLU A 67 0.754 35.820 68.125 1.00 63.55 H new ATOM 0 HA GLU A 67 -1.327 33.939 67.793 1.00 72.44 H new ATOM 0 HB2 GLU A 67 -0.059 35.404 66.068 1.00 55.23 H new ATOM 0 HB3 GLU A 67 1.181 34.166 66.103 1.00 55.23 H new ATOM 0 HG2 GLU A 67 -1.446 32.965 65.754 1.00 50.41 H new ATOM 0 HG3 GLU A 67 -1.172 34.204 64.546 1.00 50.41 H new ATOM 1066 N ALA A 68 1.623 32.750 68.583 1.00 13.41 N ATOM 1067 CA ALA A 68 2.333 31.551 69.010 1.00 12.43 C ATOM 1068 C ALA A 68 1.977 31.184 70.448 1.00 72.35 C ATOM 1069 O ALA A 68 1.477 30.092 70.713 1.00 44.40 O ATOM 1070 CB ALA A 68 3.835 31.748 68.871 1.00 42.11 C ATOM 0 H ALA A 68 2.158 33.613 68.677 1.00 13.41 H new ATOM 0 HA ALA A 68 2.024 30.728 68.365 1.00 12.43 H new ATOM 0 HB1 ALA A 68 4.352 30.844 69.194 1.00 42.11 H new ATOM 0 HB2 ALA A 68 4.080 31.954 67.829 1.00 42.11 H new ATOM 0 HB3 ALA A 68 4.151 32.587 69.491 1.00 42.11 H new ATOM 1076 N GLN A 69 2.239 32.105 71.370 1.00 41.50 N ATOM 1077 CA GLN A 69 1.947 31.877 72.780 1.00 72.01 C ATOM 1078 C GLN A 69 0.472 31.549 72.985 1.00 11.34 C ATOM 1079 O GLN A 69 0.130 30.512 73.553 1.00 3.51 O ATOM 1080 CB GLN A 69 2.327 33.107 73.606 1.00 50.54 C ATOM 1081 CG GLN A 69 2.222 32.888 75.108 1.00 70.31 C ATOM 1082 CD GLN A 69 3.448 32.211 75.686 1.00 43.24 C ATOM 1083 OE1 GLN A 69 3.464 30.997 75.889 1.00 4.32 O ATOM 1084 NE2 GLN A 69 4.485 32.995 75.956 1.00 51.01 N ATOM 0 H GLN A 69 2.652 33.015 71.166 1.00 41.50 H new ATOM 0 HA GLN A 69 2.539 31.025 73.114 1.00 72.01 H new ATOM 0 HB2 GLN A 69 3.348 33.398 73.360 1.00 50.54 H new ATOM 0 HB3 GLN A 69 1.682 33.938 73.322 1.00 50.54 H new ATOM 0 HG2 GLN A 69 2.075 33.849 75.602 1.00 70.31 H new ATOM 0 HG3 GLN A 69 1.342 32.282 75.322 1.00 70.31 H new ATOM 0 HE21 GLN A 69 4.429 33.997 75.772 1.00 51.01 H new ATOM 0 HE22 GLN A 69 5.338 32.596 76.347 1.00 51.01 H new ATOM 1093 N TRP A 70 -0.397 32.438 72.519 1.00 74.41 N ATOM 1094 CA TRP A 70 -1.836 32.243 72.652 1.00 4.22 C ATOM 1095 C TRP A 70 -2.279 30.964 71.949 1.00 42.33 C ATOM 1096 O TRP A 70 -3.197 30.281 72.402 1.00 60.02 O ATOM 1097 CB TRP A 70 -2.590 33.443 72.076 1.00 42.25 C ATOM 1098 CG TRP A 70 -3.974 33.596 72.630 1.00 30.23 C ATOM 1099 CD1 TRP A 70 -5.034 32.758 72.432 1.00 23.30 C ATOM 1100 CD2 TRP A 70 -4.449 34.653 73.472 1.00 4.40 C ATOM 1101 NE1 TRP A 70 -6.138 33.230 73.100 1.00 24.33 N ATOM 1102 CE2 TRP A 70 -5.805 34.390 73.746 1.00 72.30 C ATOM 1103 CE3 TRP A 70 -3.859 35.794 74.022 1.00 60.34 C ATOM 1104 CZ2 TRP A 70 -6.578 35.229 74.544 1.00 24.12 C ATOM 1105 CZ3 TRP A 70 -4.628 36.625 74.814 1.00 53.12 C ATOM 1106 CH2 TRP A 70 -5.976 36.339 75.069 1.00 42.42 C ATOM 0 H TRP A 70 -0.130 33.301 72.046 1.00 74.41 H new ATOM 0 HA TRP A 70 -2.068 32.152 73.713 1.00 4.22 H new ATOM 0 HB2 TRP A 70 -2.023 34.351 72.279 1.00 42.25 H new ATOM 0 HB3 TRP A 70 -2.649 33.340 70.993 1.00 42.25 H new ATOM 0 HD1 TRP A 70 -5.008 31.857 71.838 1.00 23.30 H new ATOM 0 HE1 TRP A 70 -7.057 32.788 73.113 1.00 24.33 H new ATOM 0 HE3 TRP A 70 -2.821 36.022 73.832 1.00 60.34 H new ATOM 0 HZ2 TRP A 70 -7.617 35.011 74.742 1.00 24.12 H new ATOM 0 HZ3 TRP A 70 -4.183 37.510 75.244 1.00 53.12 H new ATOM 0 HH2 TRP A 70 -6.551 37.008 75.692 1.00 42.42 H new ATOM 1117 N ALA A 71 -1.620 30.646 70.840 1.00 3.11 N ATOM 1118 CA ALA A 71 -1.945 29.447 70.076 1.00 21.43 C ATOM 1119 C ALA A 71 -1.949 28.211 70.969 1.00 13.14 C ATOM 1120 O ALA A 71 -2.856 27.381 70.894 1.00 62.24 O ATOM 1121 CB ALA A 71 -0.961 29.269 68.929 1.00 4.42 C ATOM 0 H ALA A 71 -0.858 31.201 70.450 1.00 3.11 H new ATOM 0 HA ALA A 71 -2.947 29.569 69.665 1.00 21.43 H new ATOM 0 HB1 ALA A 71 -1.216 28.370 68.367 1.00 4.42 H new ATOM 0 HB2 ALA A 71 -1.011 30.135 68.269 1.00 4.42 H new ATOM 0 HB3 ALA A 71 0.049 29.174 69.328 1.00 4.42 H new ATOM 1127 N LYS A 72 -0.930 28.094 71.814 1.00 31.44 N ATOM 1128 CA LYS A 72 -0.815 26.960 72.723 1.00 35.43 C ATOM 1129 C LYS A 72 -2.128 26.723 73.465 1.00 65.03 C ATOM 1130 O LYS A 72 -2.483 25.584 73.767 1.00 24.30 O ATOM 1131 CB LYS A 72 0.315 27.196 73.727 1.00 30.22 C ATOM 1132 CG LYS A 72 1.439 26.180 73.626 1.00 3.22 C ATOM 1133 CD LYS A 72 2.327 26.448 72.422 1.00 12.42 C ATOM 1134 CE LYS A 72 3.239 27.642 72.656 1.00 3.14 C ATOM 1135 NZ LYS A 72 4.508 27.247 73.329 1.00 31.05 N ATOM 0 H LYS A 72 -0.171 28.772 71.888 1.00 31.44 H new ATOM 0 HA LYS A 72 -0.586 26.074 72.131 1.00 35.43 H new ATOM 0 HB2 LYS A 72 0.724 28.195 73.573 1.00 30.22 H new ATOM 0 HB3 LYS A 72 -0.096 27.172 74.736 1.00 30.22 H new ATOM 0 HG2 LYS A 72 2.039 26.209 74.535 1.00 3.22 H new ATOM 0 HG3 LYS A 72 1.019 25.177 73.553 1.00 3.22 H new ATOM 0 HD2 LYS A 72 2.930 25.565 72.209 1.00 12.42 H new ATOM 0 HD3 LYS A 72 1.707 26.629 71.544 1.00 12.42 H new ATOM 0 HE2 LYS A 72 3.467 28.118 71.702 1.00 3.14 H new ATOM 0 HE3 LYS A 72 2.720 28.382 73.265 1.00 3.14 H new ATOM 0 HZ1 LYS A 72 5.102 28.089 73.471 1.00 31.05 H new ATOM 0 HZ2 LYS A 72 4.293 26.816 74.251 1.00 31.05 H new ATOM 0 HZ3 LYS A 72 5.016 26.560 72.736 1.00 31.05 H new ATOM 1149 N GLN A 73 -2.842 27.806 73.755 1.00 24.54 N ATOM 1150 CA GLN A 73 -4.114 27.714 74.460 1.00 12.24 C ATOM 1151 C GLN A 73 -5.068 26.763 73.744 1.00 73.03 C ATOM 1152 O GLN A 73 -5.468 25.736 74.293 1.00 54.55 O ATOM 1153 CB GLN A 73 -4.754 29.098 74.586 1.00 64.40 C ATOM 1154 CG GLN A 73 -3.951 30.064 75.441 1.00 0.30 C ATOM 1155 CD GLN A 73 -4.649 30.409 76.742 1.00 43.53 C ATOM 1156 OE1 GLN A 73 -5.221 29.541 77.402 1.00 52.11 O ATOM 1157 NE2 GLN A 73 -4.603 31.682 77.120 1.00 30.24 N ATOM 0 H GLN A 73 -2.561 28.756 73.513 1.00 24.54 H new ATOM 0 HA GLN A 73 -3.918 27.320 75.457 1.00 12.24 H new ATOM 0 HB2 GLN A 73 -4.878 29.524 73.590 1.00 64.40 H new ATOM 0 HB3 GLN A 73 -5.751 28.991 75.013 1.00 64.40 H new ATOM 0 HG2 GLN A 73 -2.977 29.626 75.660 1.00 0.30 H new ATOM 0 HG3 GLN A 73 -3.770 30.979 74.877 1.00 0.30 H new ATOM 0 HE21 GLN A 73 -4.118 32.368 76.542 1.00 30.24 H new ATOM 0 HE22 GLN A 73 -5.053 31.973 77.988 1.00 30.24 H new ATOM 1166 N HIS A 74 -5.430 27.112 72.513 1.00 54.32 N ATOM 1167 CA HIS A 74 -6.337 26.289 71.721 1.00 70.24 C ATOM 1168 C HIS A 74 -5.847 26.176 70.280 1.00 20.11 C ATOM 1169 O HIS A 74 -5.678 25.076 69.756 1.00 51.41 O ATOM 1170 CB HIS A 74 -7.748 26.878 71.747 1.00 2.53 C ATOM 1171 CG HIS A 74 -8.599 26.341 72.857 1.00 24.54 C ATOM 1172 ND1 HIS A 74 -9.296 25.154 72.763 1.00 61.32 N ATOM 1173 CD2 HIS A 74 -8.863 26.834 74.088 1.00 12.24 C ATOM 1174 CE1 HIS A 74 -9.953 24.942 73.889 1.00 61.22 C ATOM 1175 NE2 HIS A 74 -9.706 25.947 74.711 1.00 21.34 N ATOM 0 H HIS A 74 -5.109 27.959 72.043 1.00 54.32 H new ATOM 0 HA HIS A 74 -6.360 25.291 72.159 1.00 70.24 H new ATOM 0 HB2 HIS A 74 -7.679 27.961 71.844 1.00 2.53 H new ATOM 0 HB3 HIS A 74 -8.236 26.674 70.794 1.00 2.53 H new ATOM 0 HD2 HIS A 74 -8.482 27.755 74.504 1.00 12.24 H new ATOM 0 HE1 HIS A 74 -10.585 24.092 74.102 1.00 61.22 H new ATOM 0 HE2 HIS A 74 -10.081 26.047 75.654 1.00 21.34 H new ATOM 1183 N GLY A 75 -5.624 27.322 69.643 1.00 51.41 N ATOM 1184 CA GLY A 75 -5.158 27.329 68.269 1.00 4.13 C ATOM 1185 C GLY A 75 -6.283 27.540 67.276 1.00 13.31 C ATOM 1186 O GLY A 75 -6.115 27.313 66.077 1.00 54.12 O ATOM 0 H GLY A 75 -5.758 28.246 70.055 1.00 51.41 H new ATOM 0 HA2 GLY A 75 -4.415 28.117 68.145 1.00 4.13 H new ATOM 0 HA3 GLY A 75 -4.659 26.384 68.053 1.00 4.13 H new ATOM 1190 N THR A 76 -7.437 27.975 67.775 1.00 44.31 N ATOM 1191 CA THR A 76 -8.595 28.214 66.924 1.00 3.32 C ATOM 1192 C THR A 76 -8.719 29.691 66.566 1.00 30.12 C ATOM 1193 O THR A 76 -8.697 30.075 65.397 1.00 71.24 O ATOM 1194 CB THR A 76 -9.897 27.751 67.605 1.00 22.22 C ATOM 1195 OG1 THR A 76 -10.806 28.852 67.724 1.00 3.21 O ATOM 1196 CG2 THR A 76 -9.611 27.170 68.982 1.00 60.53 C ATOM 0 H THR A 76 -7.593 28.169 68.764 1.00 44.31 H new ATOM 0 HA THR A 76 -8.444 27.634 66.014 1.00 3.32 H new ATOM 0 HB THR A 76 -10.348 26.974 66.988 1.00 22.22 H new ATOM 0 HG1 THR A 76 -11.392 28.711 68.497 1.00 3.21 H new ATOM 0 HG21 THR A 76 -10.545 26.850 69.443 1.00 60.53 H new ATOM 0 HG22 THR A 76 -8.943 26.314 68.884 1.00 60.53 H new ATOM 0 HG23 THR A 76 -9.139 27.929 69.606 1.00 60.53 H new ATOM 1204 N PRO A 77 -8.854 30.540 67.595 1.00 41.52 N ATOM 1205 CA PRO A 77 -8.982 31.989 67.415 1.00 1.13 C ATOM 1206 C PRO A 77 -7.688 32.630 66.927 1.00 64.11 C ATOM 1207 O PRO A 77 -7.691 33.667 66.263 1.00 31.34 O ATOM 1208 CB PRO A 77 -9.333 32.492 68.817 1.00 51.04 C ATOM 1209 CG PRO A 77 -8.772 31.465 69.739 1.00 60.13 C ATOM 1210 CD PRO A 77 -8.888 30.152 69.015 1.00 2.44 C ATOM 0 HA PRO A 77 -9.726 32.241 66.659 1.00 1.13 H new ATOM 0 HB2 PRO A 77 -8.898 33.473 69.006 1.00 51.04 H new ATOM 0 HB3 PRO A 77 -10.411 32.591 68.944 1.00 51.04 H new ATOM 0 HG2 PRO A 77 -7.733 31.686 69.983 1.00 60.13 H new ATOM 0 HG3 PRO A 77 -9.323 31.442 70.679 1.00 60.13 H new ATOM 0 HD2 PRO A 77 -8.068 29.480 69.268 1.00 2.44 H new ATOM 0 HD3 PRO A 77 -9.813 29.634 69.268 1.00 2.44 H new ATOM 1218 N PRO A 78 -6.551 32.000 67.262 1.00 75.13 N ATOM 1219 CA PRO A 78 -5.228 32.491 66.868 1.00 24.50 C ATOM 1220 C PRO A 78 -4.979 32.349 65.370 1.00 12.33 C ATOM 1221 O PRO A 78 -4.809 31.240 64.861 1.00 64.44 O ATOM 1222 CB PRO A 78 -4.268 31.597 67.656 1.00 34.41 C ATOM 1223 CG PRO A 78 -5.034 30.344 67.903 1.00 32.23 C ATOM 1224 CD PRO A 78 -6.472 30.760 68.053 1.00 42.03 C ATOM 0 HA PRO A 78 -5.110 33.554 67.076 1.00 24.50 H new ATOM 0 HB2 PRO A 78 -3.357 31.399 67.091 1.00 34.41 H new ATOM 0 HB3 PRO A 78 -3.967 32.068 68.592 1.00 34.41 H new ATOM 0 HG2 PRO A 78 -4.915 29.644 67.076 1.00 32.23 H new ATOM 0 HG3 PRO A 78 -4.678 29.840 68.801 1.00 32.23 H new ATOM 0 HD2 PRO A 78 -7.153 29.998 67.675 1.00 42.03 H new ATOM 0 HD3 PRO A 78 -6.734 30.932 69.097 1.00 42.03 H new ATOM 1232 N THR A 79 -4.961 33.478 64.668 1.00 1.41 N ATOM 1233 CA THR A 79 -4.734 33.478 63.228 1.00 43.34 C ATOM 1234 C THR A 79 -4.201 34.826 62.757 1.00 23.53 C ATOM 1235 O THR A 79 -4.537 35.868 63.318 1.00 74.43 O ATOM 1236 CB THR A 79 -6.026 33.152 62.456 1.00 2.44 C ATOM 1237 OG1 THR A 79 -6.754 32.121 63.133 1.00 13.41 O ATOM 1238 CG2 THR A 79 -5.709 32.705 61.036 1.00 11.13 C ATOM 0 H THR A 79 -5.101 34.404 65.073 1.00 1.41 H new ATOM 0 HA THR A 79 -3.993 32.705 63.024 1.00 43.34 H new ATOM 0 HB THR A 79 -6.633 34.056 62.410 1.00 2.44 H new ATOM 0 HG1 THR A 79 -7.575 31.920 62.637 1.00 13.41 H new ATOM 0 HG21 THR A 79 -6.637 32.480 60.510 1.00 11.13 H new ATOM 0 HG22 THR A 79 -5.179 33.502 60.513 1.00 11.13 H new ATOM 0 HG23 THR A 79 -5.084 31.813 61.066 1.00 11.13 H new ATOM 1246 N ALA A 80 -3.369 34.799 61.720 1.00 50.20 N ATOM 1247 CA ALA A 80 -2.792 36.020 61.172 1.00 25.04 C ATOM 1248 C ALA A 80 -3.826 37.139 61.117 1.00 43.03 C ATOM 1249 O ALA A 80 -3.481 38.318 61.194 1.00 14.02 O ATOM 1250 CB ALA A 80 -2.222 35.756 59.786 1.00 23.40 C ATOM 0 H ALA A 80 -3.080 33.945 61.243 1.00 50.20 H new ATOM 0 HA ALA A 80 -1.985 36.340 61.831 1.00 25.04 H new ATOM 0 HB1 ALA A 80 -1.794 36.676 59.387 1.00 23.40 H new ATOM 0 HB2 ALA A 80 -1.446 34.993 59.851 1.00 23.40 H new ATOM 0 HB3 ALA A 80 -3.017 35.410 59.126 1.00 23.40 H new ATOM 1256 N SER A 81 -5.093 36.762 60.981 1.00 52.23 N ATOM 1257 CA SER A 81 -6.177 37.735 60.912 1.00 62.44 C ATOM 1258 C SER A 81 -6.572 38.209 62.307 1.00 45.25 C ATOM 1259 O SER A 81 -6.698 39.408 62.554 1.00 71.40 O ATOM 1260 CB SER A 81 -7.390 37.129 60.203 1.00 52.42 C ATOM 1261 OG SER A 81 -8.390 38.107 59.978 1.00 65.01 O ATOM 0 H SER A 81 -5.394 35.790 60.916 1.00 52.23 H new ATOM 0 HA SER A 81 -5.825 38.595 60.342 1.00 62.44 H new ATOM 0 HB2 SER A 81 -7.080 36.696 59.252 1.00 52.42 H new ATOM 0 HB3 SER A 81 -7.799 36.318 60.805 1.00 52.42 H new ATOM 0 HG SER A 81 -9.154 37.695 59.522 1.00 65.01 H new ATOM 1267 N ASP A 82 -6.765 37.259 63.215 1.00 52.04 N ATOM 1268 CA ASP A 82 -7.144 37.578 64.586 1.00 53.41 C ATOM 1269 C ASP A 82 -6.081 38.442 65.257 1.00 72.31 C ATOM 1270 O ASP A 82 -6.375 39.530 65.754 1.00 3.40 O ATOM 1271 CB ASP A 82 -7.358 36.294 65.391 1.00 44.12 C ATOM 1272 CG ASP A 82 -8.772 35.763 65.268 1.00 55.34 C ATOM 1273 OD1 ASP A 82 -9.180 35.415 64.141 1.00 2.24 O ATOM 1274 OD2 ASP A 82 -9.470 35.695 66.301 1.00 13.32 O ATOM 0 H ASP A 82 -6.665 36.262 63.026 1.00 52.04 H new ATOM 0 HA ASP A 82 -8.078 38.140 64.557 1.00 53.41 H new ATOM 0 HB2 ASP A 82 -6.656 35.533 65.049 1.00 44.12 H new ATOM 0 HB3 ASP A 82 -7.135 36.485 66.441 1.00 44.12 H new ATOM 1279 N VAL A 83 -4.846 37.951 65.269 1.00 72.10 N ATOM 1280 CA VAL A 83 -3.739 38.679 65.879 1.00 33.23 C ATOM 1281 C VAL A 83 -3.771 40.153 65.490 1.00 74.01 C ATOM 1282 O VAL A 83 -3.239 41.005 66.202 1.00 43.55 O ATOM 1283 CB VAL A 83 -2.381 38.080 65.469 1.00 52.30 C ATOM 1284 CG1 VAL A 83 -1.241 38.849 66.119 1.00 33.30 C ATOM 1285 CG2 VAL A 83 -2.318 36.605 65.835 1.00 45.22 C ATOM 0 H VAL A 83 -4.587 37.052 64.863 1.00 72.10 H new ATOM 0 HA VAL A 83 -3.856 38.589 66.959 1.00 33.23 H new ATOM 0 HB VAL A 83 -2.276 38.167 64.388 1.00 52.30 H new ATOM 0 HG11 VAL A 83 -0.289 38.412 65.818 1.00 33.30 H new ATOM 0 HG12 VAL A 83 -1.278 39.891 65.802 1.00 33.30 H new ATOM 0 HG13 VAL A 83 -1.338 38.796 67.203 1.00 33.30 H new ATOM 0 HG21 VAL A 83 -1.352 36.197 65.538 1.00 45.22 H new ATOM 0 HG22 VAL A 83 -2.444 36.492 66.912 1.00 45.22 H new ATOM 0 HG23 VAL A 83 -3.113 36.067 65.318 1.00 45.22 H new ATOM 1295 N VAL A 84 -4.400 40.448 64.357 1.00 45.21 N ATOM 1296 CA VAL A 84 -4.502 41.819 63.874 1.00 30.31 C ATOM 1297 C VAL A 84 -5.084 42.737 64.945 1.00 5.13 C ATOM 1298 O VAL A 84 -4.650 43.877 65.103 1.00 44.31 O ATOM 1299 CB VAL A 84 -5.377 41.905 62.610 1.00 24.41 C ATOM 1300 CG1 VAL A 84 -5.471 43.343 62.121 1.00 61.03 C ATOM 1301 CG2 VAL A 84 -4.827 40.998 61.519 1.00 12.31 C ATOM 0 H VAL A 84 -4.847 39.755 63.756 1.00 45.21 H new ATOM 0 HA VAL A 84 -3.491 42.145 63.630 1.00 30.31 H new ATOM 0 HB VAL A 84 -6.382 41.566 62.862 1.00 24.41 H new ATOM 0 HG11 VAL A 84 -6.093 43.383 61.227 1.00 61.03 H new ATOM 0 HG12 VAL A 84 -5.914 43.964 62.900 1.00 61.03 H new ATOM 0 HG13 VAL A 84 -4.473 43.713 61.885 1.00 61.03 H new ATOM 0 HG21 VAL A 84 -5.458 41.071 60.633 1.00 12.31 H new ATOM 0 HG22 VAL A 84 -3.812 41.305 61.268 1.00 12.31 H new ATOM 0 HG23 VAL A 84 -4.817 39.967 61.873 1.00 12.31 H new ATOM 1311 N GLY A 85 -6.070 42.230 65.678 1.00 23.43 N ATOM 1312 CA GLY A 85 -6.696 43.017 66.725 1.00 62.32 C ATOM 1313 C GLY A 85 -6.888 42.229 68.005 1.00 15.32 C ATOM 1314 O GLY A 85 -7.391 42.756 68.997 1.00 71.45 O ATOM 0 H GLY A 85 -6.447 41.289 65.566 1.00 23.43 H new ATOM 0 HA2 GLY A 85 -6.084 43.895 66.931 1.00 62.32 H new ATOM 0 HA3 GLY A 85 -7.663 43.378 66.375 1.00 62.32 H new ATOM 1318 N MET A 86 -6.488 40.962 67.984 1.00 53.54 N ATOM 1319 CA MET A 86 -6.620 40.100 69.154 1.00 21.52 C ATOM 1320 C MET A 86 -5.802 40.639 70.322 1.00 40.05 C ATOM 1321 O MET A 86 -6.274 40.723 71.456 1.00 43.41 O ATOM 1322 CB MET A 86 -6.173 38.676 68.817 1.00 74.24 C ATOM 1323 CG MET A 86 -6.121 37.754 70.025 1.00 62.14 C ATOM 1324 SD MET A 86 -6.925 36.169 69.724 1.00 31.23 S ATOM 1325 CE MET A 86 -5.506 35.126 69.395 1.00 73.10 C ATOM 0 H MET A 86 -6.070 40.509 67.171 1.00 53.54 H new ATOM 0 HA MET A 86 -7.670 40.084 69.446 1.00 21.52 H new ATOM 0 HB2 MET A 86 -6.855 38.255 68.078 1.00 74.24 H new ATOM 0 HB3 MET A 86 -5.186 38.713 68.356 1.00 74.24 H new ATOM 0 HG2 MET A 86 -5.081 37.583 70.302 1.00 62.14 H new ATOM 0 HG3 MET A 86 -6.600 38.245 70.873 1.00 62.14 H new ATOM 0 HE1 MET A 86 -5.839 34.102 69.225 1.00 73.10 H new ATOM 0 HE2 MET A 86 -4.984 35.490 68.510 1.00 73.10 H new ATOM 0 HE3 MET A 86 -4.830 35.151 70.250 1.00 73.10 H new ATOM 1335 N PRO A 87 -4.545 41.016 70.042 1.00 25.00 N ATOM 1336 CA PRO A 87 -3.634 41.554 71.057 1.00 20.22 C ATOM 1337 C PRO A 87 -4.049 42.943 71.530 1.00 23.51 C ATOM 1338 O PRO A 87 -5.025 43.509 71.039 1.00 31.22 O ATOM 1339 CB PRO A 87 -2.289 41.616 70.330 1.00 31.31 C ATOM 1340 CG PRO A 87 -2.643 41.726 68.887 1.00 62.11 C ATOM 1341 CD PRO A 87 -3.916 40.945 68.712 1.00 32.21 C ATOM 0 HA PRO A 87 -3.619 40.940 71.958 1.00 20.22 H new ATOM 0 HB2 PRO A 87 -1.700 42.472 70.659 1.00 31.31 H new ATOM 0 HB3 PRO A 87 -1.692 40.725 70.524 1.00 31.31 H new ATOM 0 HG2 PRO A 87 -2.781 42.768 68.598 1.00 62.11 H new ATOM 0 HG3 PRO A 87 -1.849 41.323 68.259 1.00 62.11 H new ATOM 0 HD2 PRO A 87 -4.553 41.381 67.942 1.00 32.21 H new ATOM 0 HD3 PRO A 87 -3.718 39.915 68.415 1.00 32.21 H new ATOM 1349 N GLN A 88 -3.299 43.487 72.483 1.00 15.25 N ATOM 1350 CA GLN A 88 -3.591 44.811 73.021 1.00 24.42 C ATOM 1351 C GLN A 88 -3.010 45.902 72.127 1.00 10.04 C ATOM 1352 O GLN A 88 -3.609 46.964 71.960 1.00 45.15 O ATOM 1353 CB GLN A 88 -3.030 44.944 74.438 1.00 3.01 C ATOM 1354 CG GLN A 88 -1.541 44.654 74.532 1.00 51.03 C ATOM 1355 CD GLN A 88 -1.180 43.845 75.762 1.00 3.22 C ATOM 1356 OE1 GLN A 88 -1.045 44.388 76.859 1.00 11.31 O ATOM 1357 NE2 GLN A 88 -1.022 42.539 75.586 1.00 30.04 N ATOM 0 H GLN A 88 -2.486 43.032 72.898 1.00 15.25 H new ATOM 0 HA GLN A 88 -4.674 44.932 73.054 1.00 24.42 H new ATOM 0 HB2 GLN A 88 -3.219 45.954 74.801 1.00 3.01 H new ATOM 0 HB3 GLN A 88 -3.567 44.263 75.098 1.00 3.01 H new ATOM 0 HG2 GLN A 88 -1.223 44.114 73.640 1.00 51.03 H new ATOM 0 HG3 GLN A 88 -0.992 45.595 74.547 1.00 51.03 H new ATOM 0 HE21 GLN A 88 -1.144 42.131 74.659 1.00 30.04 H new ATOM 0 HE22 GLN A 88 -0.779 41.943 76.378 1.00 30.04 H new ATOM 1366 N TRP A 89 -1.842 45.631 71.555 1.00 11.43 N ATOM 1367 CA TRP A 89 -1.180 46.591 70.679 1.00 3.21 C ATOM 1368 C TRP A 89 -2.182 47.247 69.735 1.00 71.10 C ATOM 1369 O TRP A 89 -2.087 48.440 69.449 1.00 54.13 O ATOM 1370 CB TRP A 89 -0.078 45.900 69.873 1.00 72.10 C ATOM 1371 CG TRP A 89 -0.525 45.462 68.511 1.00 4.44 C ATOM 1372 CD1 TRP A 89 -0.886 44.200 68.135 1.00 21.51 C ATOM 1373 CD2 TRP A 89 -0.654 46.283 67.346 1.00 63.44 C ATOM 1374 NE1 TRP A 89 -1.233 44.188 66.805 1.00 64.32 N ATOM 1375 CE2 TRP A 89 -1.099 45.454 66.298 1.00 1.23 C ATOM 1376 CE3 TRP A 89 -0.438 47.639 67.085 1.00 51.20 C ATOM 1377 CZ2 TRP A 89 -1.331 45.937 65.013 1.00 51.12 C ATOM 1378 CZ3 TRP A 89 -0.668 48.117 65.809 1.00 52.23 C ATOM 1379 CH2 TRP A 89 -1.111 47.269 64.787 1.00 14.14 C ATOM 0 H TRP A 89 -1.334 44.755 71.682 1.00 11.43 H new ATOM 0 HA TRP A 89 -0.734 47.367 71.301 1.00 3.21 H new ATOM 0 HB2 TRP A 89 0.767 46.580 69.769 1.00 72.10 H new ATOM 0 HB3 TRP A 89 0.278 45.032 70.428 1.00 72.10 H new ATOM 0 HD1 TRP A 89 -0.897 43.339 68.786 1.00 21.51 H new ATOM 0 HE1 TRP A 89 -1.541 43.369 66.280 1.00 64.32 H new ATOM 0 HE3 TRP A 89 -0.097 48.302 67.867 1.00 51.20 H new ATOM 0 HZ2 TRP A 89 -1.672 45.284 64.223 1.00 51.12 H new ATOM 0 HZ3 TRP A 89 -0.503 49.163 65.596 1.00 52.23 H new ATOM 0 HH2 TRP A 89 -1.283 47.674 63.801 1.00 14.14 H new ATOM 1390 N GLN A 90 -3.139 46.460 69.255 1.00 35.45 N ATOM 1391 CA GLN A 90 -4.158 46.967 68.343 1.00 13.40 C ATOM 1392 C GLN A 90 -4.944 48.105 68.984 1.00 33.21 C ATOM 1393 O GLN A 90 -5.197 49.130 68.351 1.00 4.01 O ATOM 1394 CB GLN A 90 -5.109 45.842 67.933 1.00 21.53 C ATOM 1395 CG GLN A 90 -6.399 46.337 67.297 1.00 73.44 C ATOM 1396 CD GLN A 90 -6.206 46.797 65.866 1.00 71.04 C ATOM 1397 OE1 GLN A 90 -5.142 46.601 65.277 1.00 72.12 O ATOM 1398 NE2 GLN A 90 -7.236 47.412 65.297 1.00 12.22 N ATOM 0 H GLN A 90 -3.230 45.470 69.482 1.00 35.45 H new ATOM 0 HA GLN A 90 -3.657 47.352 67.455 1.00 13.40 H new ATOM 0 HB2 GLN A 90 -4.598 45.183 67.232 1.00 21.53 H new ATOM 0 HB3 GLN A 90 -5.353 45.245 68.812 1.00 21.53 H new ATOM 0 HG2 GLN A 90 -7.141 45.539 67.321 1.00 73.44 H new ATOM 0 HG3 GLN A 90 -6.798 47.161 67.889 1.00 73.44 H new ATOM 0 HE21 GLN A 90 -8.099 47.553 65.822 1.00 12.22 H new ATOM 0 HE22 GLN A 90 -7.164 47.743 64.335 1.00 12.22 H new ATOM 1407 N GLU A 91 -5.330 47.918 70.243 1.00 64.24 N ATOM 1408 CA GLU A 91 -6.088 48.930 70.967 1.00 12.34 C ATOM 1409 C GLU A 91 -5.179 50.065 71.430 1.00 43.20 C ATOM 1410 O GLU A 91 -5.503 51.241 71.265 1.00 64.01 O ATOM 1411 CB GLU A 91 -6.794 48.304 72.173 1.00 30.31 C ATOM 1412 CG GLU A 91 -8.098 48.992 72.538 1.00 54.33 C ATOM 1413 CD GLU A 91 -9.307 48.097 72.340 1.00 52.44 C ATOM 1414 OE1 GLU A 91 -9.606 47.756 71.178 1.00 23.33 O ATOM 1415 OE2 GLU A 91 -9.951 47.740 73.348 1.00 1.15 O ATOM 0 H GLU A 91 -5.130 47.075 70.781 1.00 64.24 H new ATOM 0 HA GLU A 91 -6.836 49.341 70.289 1.00 12.34 H new ATOM 0 HB2 GLU A 91 -6.994 47.254 71.962 1.00 30.31 H new ATOM 0 HB3 GLU A 91 -6.124 48.334 73.032 1.00 30.31 H new ATOM 0 HG2 GLU A 91 -8.056 49.314 73.579 1.00 54.33 H new ATOM 0 HG3 GLU A 91 -8.213 49.890 71.931 1.00 54.33 H new ATOM 1422 N TYR A 92 -4.041 49.703 72.011 1.00 44.22 N ATOM 1423 CA TYR A 92 -3.085 50.689 72.500 1.00 73.12 C ATOM 1424 C TYR A 92 -2.654 51.632 71.381 1.00 71.43 C ATOM 1425 O TYR A 92 -2.853 52.845 71.463 1.00 21.32 O ATOM 1426 CB TYR A 92 -1.860 49.993 73.095 1.00 12.44 C ATOM 1427 CG TYR A 92 -2.106 49.402 74.465 1.00 12.44 C ATOM 1428 CD1 TYR A 92 -2.686 50.158 75.476 1.00 40.03 C ATOM 1429 CD2 TYR A 92 -1.757 48.087 74.750 1.00 64.20 C ATOM 1430 CE1 TYR A 92 -2.912 49.623 76.730 1.00 5.23 C ATOM 1431 CE2 TYR A 92 -1.981 47.543 75.999 1.00 4.35 C ATOM 1432 CZ TYR A 92 -2.558 48.315 76.986 1.00 41.41 C ATOM 1433 OH TYR A 92 -2.781 47.777 78.232 1.00 12.52 O ATOM 0 H TYR A 92 -3.758 48.734 72.155 1.00 44.22 H new ATOM 0 HA TYR A 92 -3.574 51.276 73.277 1.00 73.12 H new ATOM 0 HB2 TYR A 92 -1.539 49.201 72.419 1.00 12.44 H new ATOM 0 HB3 TYR A 92 -1.041 50.709 73.159 1.00 12.44 H new ATOM 0 HD1 TYR A 92 -2.965 51.182 75.278 1.00 40.03 H new ATOM 0 HD2 TYR A 92 -1.303 47.480 73.981 1.00 64.20 H new ATOM 0 HE1 TYR A 92 -3.363 50.225 77.505 1.00 5.23 H new ATOM 0 HE2 TYR A 92 -1.706 46.519 76.202 1.00 4.35 H new ATOM 0 HH TYR A 92 -2.476 46.846 78.246 1.00 12.52 H new ATOM 1443 N THR A 93 -2.061 51.066 70.334 1.00 74.11 N ATOM 1444 CA THR A 93 -1.600 51.854 69.199 1.00 31.42 C ATOM 1445 C THR A 93 -2.622 52.919 68.817 1.00 13.42 C ATOM 1446 O THR A 93 -2.262 54.000 68.350 1.00 0.33 O ATOM 1447 CB THR A 93 -1.323 50.963 67.972 1.00 14.15 C ATOM 1448 OG1 THR A 93 -0.782 51.751 66.907 1.00 61.02 O ATOM 1449 CG2 THR A 93 -2.596 50.275 67.505 1.00 2.23 C ATOM 0 H THR A 93 -1.889 50.064 70.249 1.00 74.11 H new ATOM 0 HA THR A 93 -0.673 52.337 69.506 1.00 31.42 H new ATOM 0 HB THR A 93 -0.601 50.199 68.261 1.00 14.15 H new ATOM 0 HG1 THR A 93 0.150 51.492 66.749 1.00 61.02 H new ATOM 0 HG21 THR A 93 -2.376 49.652 66.638 1.00 2.23 H new ATOM 0 HG22 THR A 93 -2.989 49.653 68.309 1.00 2.23 H new ATOM 0 HG23 THR A 93 -3.337 51.027 67.233 1.00 2.23 H new ATOM 1457 N ALA A 94 -3.898 52.607 69.021 1.00 61.44 N ATOM 1458 CA ALA A 94 -4.972 53.540 68.701 1.00 64.32 C ATOM 1459 C ALA A 94 -5.215 54.512 69.850 1.00 40.05 C ATOM 1460 O ALA A 94 -5.366 55.716 69.636 1.00 45.53 O ATOM 1461 CB ALA A 94 -6.249 52.782 68.371 1.00 4.35 C ATOM 0 H ALA A 94 -4.213 51.716 69.406 1.00 61.44 H new ATOM 0 HA ALA A 94 -4.669 54.118 67.828 1.00 64.32 H new ATOM 0 HB1 ALA A 94 -7.042 53.491 68.134 1.00 4.35 H new ATOM 0 HB2 ALA A 94 -6.075 52.132 67.513 1.00 4.35 H new ATOM 0 HB3 ALA A 94 -6.546 52.179 69.229 1.00 4.35 H new ATOM 1467 N MET A 95 -5.253 53.984 71.068 1.00 11.44 N ATOM 1468 CA MET A 95 -5.478 54.807 72.251 1.00 42.01 C ATOM 1469 C MET A 95 -4.658 56.092 72.183 1.00 20.41 C ATOM 1470 O MET A 95 -5.181 57.186 72.401 1.00 23.25 O ATOM 1471 CB MET A 95 -5.119 54.027 73.518 1.00 21.12 C ATOM 1472 CG MET A 95 -5.983 54.383 74.717 1.00 23.34 C ATOM 1473 SD MET A 95 -6.781 52.942 75.451 1.00 22.41 S ATOM 1474 CE MET A 95 -5.534 52.429 76.629 1.00 42.35 C ATOM 0 H MET A 95 -5.131 52.990 71.262 1.00 11.44 H new ATOM 0 HA MET A 95 -6.535 55.071 72.283 1.00 42.01 H new ATOM 0 HB2 MET A 95 -5.213 52.960 73.317 1.00 21.12 H new ATOM 0 HB3 MET A 95 -4.074 54.213 73.766 1.00 21.12 H new ATOM 0 HG2 MET A 95 -5.368 54.875 75.470 1.00 23.34 H new ATOM 0 HG3 MET A 95 -6.746 55.099 74.411 1.00 23.34 H new ATOM 0 HE1 MET A 95 -5.807 51.461 77.049 1.00 42.35 H new ATOM 0 HE2 MET A 95 -4.570 52.348 76.127 1.00 42.35 H new ATOM 0 HE3 MET A 95 -5.465 53.165 77.430 1.00 42.35 H new ATOM 1484 N LEU A 96 -3.373 55.953 71.881 1.00 25.14 N ATOM 1485 CA LEU A 96 -2.481 57.103 71.784 1.00 24.21 C ATOM 1486 C LEU A 96 -2.932 58.051 70.677 1.00 30.01 C ATOM 1487 O LEU A 96 -2.971 59.267 70.865 1.00 33.43 O ATOM 1488 CB LEU A 96 -1.046 56.641 71.521 1.00 72.11 C ATOM 1489 CG LEU A 96 -0.890 55.236 70.939 1.00 11.42 C ATOM 1490 CD1 LEU A 96 0.302 55.178 69.996 1.00 2.45 C ATOM 1491 CD2 LEU A 96 -0.741 54.210 72.054 1.00 31.41 C ATOM 0 H LEU A 96 -2.925 55.055 71.699 1.00 25.14 H new ATOM 0 HA LEU A 96 -2.516 57.638 72.733 1.00 24.21 H new ATOM 0 HB2 LEU A 96 -0.577 57.350 70.839 1.00 72.11 H new ATOM 0 HB3 LEU A 96 -0.493 56.688 72.459 1.00 72.11 H new ATOM 0 HG LEU A 96 -1.789 54.997 70.370 1.00 11.42 H new ATOM 0 HD11 LEU A 96 0.397 54.170 69.592 1.00 2.45 H new ATOM 0 HD12 LEU A 96 0.154 55.884 69.179 1.00 2.45 H new ATOM 0 HD13 LEU A 96 1.210 55.438 70.541 1.00 2.45 H new ATOM 0 HD21 LEU A 96 -0.631 53.216 71.621 1.00 31.41 H new ATOM 0 HD22 LEU A 96 0.141 54.446 72.650 1.00 31.41 H new ATOM 0 HD23 LEU A 96 -1.626 54.233 72.690 1.00 31.41 H new ATOM 1503 N ARG A 97 -3.274 57.486 69.524 1.00 43.40 N ATOM 1504 CA ARG A 97 -3.724 58.279 68.387 1.00 55.05 C ATOM 1505 C ARG A 97 -4.823 59.253 68.805 1.00 4.04 C ATOM 1506 O ARG A 97 -4.679 60.466 68.659 1.00 22.33 O ATOM 1507 CB ARG A 97 -4.234 57.368 67.270 1.00 42.03 C ATOM 1508 CG ARG A 97 -3.152 56.492 66.657 1.00 73.35 C ATOM 1509 CD ARG A 97 -3.731 55.522 65.640 1.00 4.32 C ATOM 1510 NE ARG A 97 -3.077 55.639 64.339 1.00 61.11 N ATOM 1511 CZ ARG A 97 -3.335 56.612 63.472 1.00 0.05 C ATOM 1512 NH1 ARG A 97 -4.228 57.547 63.766 1.00 4.14 N ATOM 1513 NH2 ARG A 97 -2.700 56.649 62.307 1.00 73.14 N ATOM 0 H ARG A 97 -3.248 56.481 69.353 1.00 43.40 H new ATOM 0 HA ARG A 97 -2.874 58.852 68.018 1.00 55.05 H new ATOM 0 HB2 ARG A 97 -5.025 56.731 67.665 1.00 42.03 H new ATOM 0 HB3 ARG A 97 -4.680 57.982 66.487 1.00 42.03 H new ATOM 0 HG2 ARG A 97 -2.402 57.121 66.176 1.00 73.35 H new ATOM 0 HG3 ARG A 97 -2.644 55.935 67.444 1.00 73.35 H new ATOM 0 HD2 ARG A 97 -3.624 54.502 66.009 1.00 4.32 H new ATOM 0 HD3 ARG A 97 -4.799 55.709 65.527 1.00 4.32 H new ATOM 0 HE ARG A 97 -2.385 54.935 64.082 1.00 61.11 H new ATOM 0 HH11 ARG A 97 -4.719 57.520 64.660 1.00 4.14 H new ATOM 0 HH12 ARG A 97 -4.424 58.293 63.098 1.00 4.14 H new ATOM 0 HH21 ARG A 97 -2.014 55.930 62.077 1.00 73.14 H new ATOM 0 HH22 ARG A 97 -2.898 57.396 61.642 1.00 73.14 H new ATOM 1527 N GLU A 98 -5.921 58.711 69.324 1.00 40.22 N ATOM 1528 CA GLU A 98 -7.044 59.531 69.762 1.00 24.22 C ATOM 1529 C GLU A 98 -6.750 60.182 71.110 1.00 63.33 C ATOM 1530 O GLU A 98 -6.828 61.402 71.252 1.00 53.02 O ATOM 1531 CB GLU A 98 -8.315 58.685 69.857 1.00 14.31 C ATOM 1532 CG GLU A 98 -9.516 59.449 70.389 1.00 70.01 C ATOM 1533 CD GLU A 98 -10.278 60.173 69.296 1.00 23.12 C ATOM 1534 OE1 GLU A 98 -9.644 60.934 68.535 1.00 14.32 O ATOM 1535 OE2 GLU A 98 -11.508 59.977 69.200 1.00 41.53 O ATOM 0 H GLU A 98 -6.056 57.708 69.451 1.00 40.22 H new ATOM 0 HA GLU A 98 -7.195 60.319 69.024 1.00 24.22 H new ATOM 0 HB2 GLU A 98 -8.554 58.291 68.869 1.00 14.31 H new ATOM 0 HB3 GLU A 98 -8.124 57.829 70.504 1.00 14.31 H new ATOM 0 HG2 GLU A 98 -10.187 58.756 70.897 1.00 70.01 H new ATOM 0 HG3 GLU A 98 -9.182 60.172 71.133 1.00 70.01 H new ATOM 1542 N ARG A 99 -6.412 59.358 72.096 1.00 72.02 N ATOM 1543 CA ARG A 99 -6.108 59.853 73.434 1.00 0.25 C ATOM 1544 C ARG A 99 -4.890 60.771 73.410 1.00 14.21 C ATOM 1545 O ARG A 99 -4.969 61.934 73.805 1.00 60.42 O ATOM 1546 CB ARG A 99 -5.861 58.683 74.389 1.00 72.43 C ATOM 1547 CG ARG A 99 -6.138 59.018 75.845 1.00 11.34 C ATOM 1548 CD ARG A 99 -7.481 58.464 76.298 1.00 5.40 C ATOM 1549 NE ARG A 99 -7.397 57.051 76.656 1.00 31.34 N ATOM 1550 CZ ARG A 99 -8.454 56.308 76.969 1.00 41.25 C ATOM 1551 NH1 ARG A 99 -9.667 56.843 76.970 1.00 22.25 N ATOM 1552 NH2 ARG A 99 -8.298 55.029 77.284 1.00 50.05 N ATOM 0 H ARG A 99 -6.342 58.346 71.994 1.00 72.02 H new ATOM 0 HA ARG A 99 -6.966 60.426 73.787 1.00 0.25 H new ATOM 0 HB2 ARG A 99 -6.490 57.843 74.092 1.00 72.43 H new ATOM 0 HB3 ARG A 99 -4.826 58.357 74.290 1.00 72.43 H new ATOM 0 HG2 ARG A 99 -5.345 58.609 76.471 1.00 11.34 H new ATOM 0 HG3 ARG A 99 -6.125 60.100 75.980 1.00 11.34 H new ATOM 0 HD2 ARG A 99 -7.838 59.035 77.155 1.00 5.40 H new ATOM 0 HD3 ARG A 99 -8.214 58.593 75.502 1.00 5.40 H new ATOM 0 HE ARG A 99 -6.477 56.610 76.667 1.00 31.34 H new ATOM 0 HH11 ARG A 99 -9.791 57.827 76.730 1.00 22.25 H new ATOM 0 HH12 ARG A 99 -10.477 56.271 77.210 1.00 22.25 H new ATOM 0 HH21 ARG A 99 -7.366 54.614 77.286 1.00 50.05 H new ATOM 0 HH22 ARG A 99 -9.110 54.460 77.524 1.00 50.05 H new ATOM 1566 N PHE A 100 -3.764 60.240 72.946 1.00 50.52 N ATOM 1567 CA PHE A 100 -2.528 61.010 72.873 1.00 74.31 C ATOM 1568 C PHE A 100 -2.145 61.556 74.246 1.00 30.11 C ATOM 1569 O PHE A 100 -1.804 62.730 74.385 1.00 53.40 O ATOM 1570 CB PHE A 100 -2.680 62.163 71.877 1.00 11.51 C ATOM 1571 CG PHE A 100 -1.426 62.456 71.105 1.00 63.12 C ATOM 1572 CD1 PHE A 100 -0.895 61.516 70.236 1.00 12.42 C ATOM 1573 CD2 PHE A 100 -0.777 63.672 71.248 1.00 60.32 C ATOM 1574 CE1 PHE A 100 0.258 61.783 69.524 1.00 43.53 C ATOM 1575 CE2 PHE A 100 0.377 63.945 70.537 1.00 43.31 C ATOM 1576 CZ PHE A 100 0.896 62.999 69.676 1.00 5.05 C ATOM 0 H PHE A 100 -3.682 59.279 72.615 1.00 50.52 H new ATOM 0 HA PHE A 100 -1.734 60.346 72.532 1.00 74.31 H new ATOM 0 HB2 PHE A 100 -3.481 61.925 71.177 1.00 11.51 H new ATOM 0 HB3 PHE A 100 -2.984 63.061 72.416 1.00 11.51 H new ATOM 0 HD1 PHE A 100 -1.389 60.563 70.114 1.00 12.42 H new ATOM 0 HD2 PHE A 100 -1.177 64.415 71.922 1.00 60.32 H new ATOM 0 HE1 PHE A 100 0.660 61.042 68.849 1.00 43.53 H new ATOM 0 HE2 PHE A 100 0.872 64.898 70.655 1.00 43.31 H new ATOM 0 HZ PHE A 100 1.799 63.209 69.122 1.00 5.05 H new ATOM 1586 N ALA A 101 -2.204 60.694 75.256 1.00 71.43 N ATOM 1587 CA ALA A 101 -1.863 61.087 76.616 1.00 54.04 C ATOM 1588 C ALA A 101 -0.830 60.141 77.219 1.00 63.33 C ATOM 1589 O ALA A 101 -1.133 58.989 77.524 1.00 60.03 O ATOM 1590 CB ALA A 101 -3.112 61.130 77.484 1.00 3.45 C ATOM 0 H ALA A 101 -2.485 59.719 75.157 1.00 71.43 H new ATOM 0 HA ALA A 101 -1.426 62.085 76.579 1.00 54.04 H new ATOM 0 HB1 ALA A 101 -2.841 61.425 78.498 1.00 3.45 H new ATOM 0 HB2 ALA A 101 -3.817 61.852 77.072 1.00 3.45 H new ATOM 0 HB3 ALA A 101 -3.575 60.143 77.505 1.00 3.45 H new ATOM 1596 N GLY A 102 0.393 60.636 77.386 1.00 52.22 N ATOM 1597 CA GLY A 102 1.452 59.820 77.951 1.00 63.23 C ATOM 1598 C GLY A 102 2.630 59.665 77.008 1.00 32.43 C ATOM 1599 O GLY A 102 3.784 59.773 77.421 1.00 55.41 O ATOM 0 H GLY A 102 0.669 61.587 77.140 1.00 52.22 H new ATOM 0 HA2 GLY A 102 1.794 60.268 78.884 1.00 63.23 H new ATOM 0 HA3 GLY A 102 1.056 58.835 78.197 1.00 63.23 H new ATOM 1603 N LEU A 103 2.337 59.408 75.738 1.00 2.52 N ATOM 1604 CA LEU A 103 3.380 59.235 74.733 1.00 24.33 C ATOM 1605 C LEU A 103 4.351 60.411 74.748 1.00 44.12 C ATOM 1606 O LEU A 103 4.007 61.518 74.336 1.00 72.11 O ATOM 1607 CB LEU A 103 2.758 59.091 73.343 1.00 2.14 C ATOM 1608 CG LEU A 103 1.582 60.019 73.034 1.00 62.13 C ATOM 1609 CD1 LEU A 103 2.014 61.131 72.092 1.00 33.21 C ATOM 1610 CD2 LEU A 103 0.424 59.232 72.439 1.00 44.12 C ATOM 0 H LEU A 103 1.386 59.315 75.380 1.00 2.52 H new ATOM 0 HA LEU A 103 3.934 58.327 74.973 1.00 24.33 H new ATOM 0 HB2 LEU A 103 3.536 59.263 72.599 1.00 2.14 H new ATOM 0 HB3 LEU A 103 2.423 58.061 73.222 1.00 2.14 H new ATOM 0 HG LEU A 103 1.245 60.472 73.967 1.00 62.13 H new ATOM 0 HD11 LEU A 103 1.165 61.781 71.883 1.00 33.21 H new ATOM 0 HD12 LEU A 103 2.811 61.712 72.556 1.00 33.21 H new ATOM 0 HD13 LEU A 103 2.377 60.698 71.160 1.00 33.21 H new ATOM 0 HD21 LEU A 103 -0.404 59.908 72.225 1.00 44.12 H new ATOM 0 HD22 LEU A 103 0.747 58.751 71.516 1.00 44.12 H new ATOM 0 HD23 LEU A 103 0.098 58.472 73.149 1.00 44.12 H new