USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 73 GLN : amide:sc= -1.21 K(o=-2.3,f=-6.2!) USER MOD Set 1.2: A 74 HIS : no HD1:sc= -1.07 K(o=-2.3,f=-4.9!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.28) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc=-0.00677 (180deg=-0.117) USER MOD Single : A 37 MET CE :methyl -144:sc= -8.16! (180deg=-14.1!) USER MOD Single : A 38 GLN : amide:sc= -2.76! C(o=-2.8!,f=-3.1!) USER MOD Single : A 39 ASN : amide:sc= -0.473 K(o=-0.47,f=-1.7!) USER MOD Single : A 44 HIS : no HD1:sc= -1.67! K(o=-1.7!,f=-0.94) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.224 K(o=-0.22,f=-1.9!) USER MOD Single : A 57 GLN : amide:sc= -0.0688 K(o=-0.069,f=-1.5!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -162:sc= -0.668! USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.0013) USER MOD Single : A 69 GLN : amide:sc= -2.58 K(o=-2.6,f=-5!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot -148:sc= -2.8! USER MOD Single : A 79 THR OG1 : rot 100:sc= 1.25 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 161:sc= -4.63! (180deg=-5.29!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -3.11! C(o=-3.1!,f=-4.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot -56:sc= 0.989 USER MOD Single : A 95 MET CE :methyl 165:sc= 0 (180deg=-0.209) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 14.525 47.456 69.220 1.00 33.13 N ATOM 249 CA LYS A 17 14.722 46.236 68.446 1.00 52.31 C ATOM 250 C LYS A 17 13.471 45.890 67.646 1.00 74.23 C ATOM 251 O LYS A 17 13.468 45.967 66.417 1.00 55.44 O ATOM 252 CB LYS A 17 15.085 45.073 69.374 1.00 72.32 C ATOM 253 CG LYS A 17 15.924 45.488 70.569 1.00 51.34 C ATOM 254 CD LYS A 17 15.808 44.486 71.706 1.00 40.11 C ATOM 255 CE LYS A 17 17.140 43.810 71.991 1.00 64.12 C ATOM 256 NZ LYS A 17 17.061 42.333 71.815 1.00 53.33 N ATOM 0 HA LYS A 17 15.542 46.407 67.748 1.00 52.31 H new ATOM 0 HB2 LYS A 17 14.168 44.603 69.730 1.00 72.32 H new ATOM 0 HB3 LYS A 17 15.628 44.320 68.803 1.00 72.32 H new ATOM 0 HG2 LYS A 17 16.968 45.579 70.268 1.00 51.34 H new ATOM 0 HG3 LYS A 17 15.605 46.471 70.915 1.00 51.34 H new ATOM 0 HD2 LYS A 17 15.456 44.993 72.605 1.00 40.11 H new ATOM 0 HD3 LYS A 17 15.063 43.732 71.453 1.00 40.11 H new ATOM 0 HE2 LYS A 17 17.903 44.215 71.326 1.00 64.12 H new ATOM 0 HE3 LYS A 17 17.452 44.038 73.010 1.00 64.12 H new ATOM 0 HZ1 LYS A 17 17.989 41.909 72.018 1.00 53.33 H new ATOM 0 HZ2 LYS A 17 16.351 41.943 72.468 1.00 53.33 H new ATOM 0 HZ3 LYS A 17 16.788 42.114 70.836 1.00 53.33 H new ATOM 270 N TRP A 18 12.410 45.513 68.350 1.00 22.30 N ATOM 271 CA TRP A 18 11.151 45.157 67.704 1.00 64.32 C ATOM 272 C TRP A 18 9.966 45.477 68.608 1.00 44.11 C ATOM 273 O TRP A 18 10.140 45.917 69.744 1.00 52.15 O ATOM 274 CB TRP A 18 11.145 43.672 67.337 1.00 15.33 C ATOM 275 CG TRP A 18 12.215 43.297 66.359 1.00 21.43 C ATOM 276 CD1 TRP A 18 13.331 42.550 66.611 1.00 71.11 C ATOM 277 CD2 TRP A 18 12.271 43.651 64.972 1.00 44.21 C ATOM 278 NE1 TRP A 18 14.078 42.420 65.465 1.00 22.15 N ATOM 279 CE2 TRP A 18 13.449 43.085 64.446 1.00 43.11 C ATOM 280 CE3 TRP A 18 11.442 44.389 64.125 1.00 32.22 C ATOM 281 CZ2 TRP A 18 13.815 43.237 63.111 1.00 23.01 C ATOM 282 CZ3 TRP A 18 11.806 44.539 62.800 1.00 43.14 C ATOM 283 CH2 TRP A 18 12.984 43.964 62.304 1.00 71.35 C ATOM 0 H TRP A 18 12.396 45.446 69.368 1.00 22.30 H new ATOM 0 HA TRP A 18 11.058 45.749 66.793 1.00 64.32 H new ATOM 0 HB2 TRP A 18 11.269 43.081 68.244 1.00 15.33 H new ATOM 0 HB3 TRP A 18 10.173 43.413 66.918 1.00 15.33 H new ATOM 0 HD1 TRP A 18 13.588 42.124 67.570 1.00 71.11 H new ATOM 0 HE1 TRP A 18 14.958 41.911 65.386 1.00 22.15 H new ATOM 0 HE3 TRP A 18 10.532 44.835 64.499 1.00 32.22 H new ATOM 0 HZ2 TRP A 18 14.723 42.796 62.727 1.00 23.01 H new ATOM 0 HZ3 TRP A 18 11.172 45.108 62.136 1.00 43.14 H new ATOM 0 HH2 TRP A 18 13.241 44.098 61.264 1.00 71.35 H new ATOM 294 N LEU A 19 8.761 45.252 68.097 1.00 12.44 N ATOM 295 CA LEU A 19 7.545 45.515 68.859 1.00 42.40 C ATOM 296 C LEU A 19 7.641 44.919 70.261 1.00 61.51 C ATOM 297 O LEU A 19 7.074 45.454 71.214 1.00 5.30 O ATOM 298 CB LEU A 19 6.328 44.942 68.131 1.00 52.11 C ATOM 299 CG LEU A 19 5.003 45.668 68.365 1.00 61.31 C ATOM 300 CD1 LEU A 19 4.762 45.873 69.852 1.00 34.13 C ATOM 301 CD2 LEU A 19 4.989 47.001 67.632 1.00 73.45 C ATOM 0 H LEU A 19 8.599 44.888 67.158 1.00 12.44 H new ATOM 0 HA LEU A 19 7.430 46.595 68.950 1.00 42.40 H new ATOM 0 HB2 LEU A 19 6.536 44.943 67.061 1.00 52.11 H new ATOM 0 HB3 LEU A 19 6.207 43.901 68.431 1.00 52.11 H new ATOM 0 HG LEU A 19 4.197 45.050 67.969 1.00 61.31 H new ATOM 0 HD11 LEU A 19 3.814 46.391 69.999 1.00 34.13 H new ATOM 0 HD12 LEU A 19 4.728 44.905 70.352 1.00 34.13 H new ATOM 0 HD13 LEU A 19 5.571 46.470 70.273 1.00 34.13 H new ATOM 0 HD21 LEU A 19 4.038 47.504 67.810 1.00 73.45 H new ATOM 0 HD22 LEU A 19 5.804 47.626 67.997 1.00 73.45 H new ATOM 0 HD23 LEU A 19 5.114 46.830 66.563 1.00 73.45 H new ATOM 313 N ASP A 20 8.364 43.811 70.378 1.00 24.14 N ATOM 314 CA ASP A 20 8.537 43.143 71.663 1.00 24.51 C ATOM 315 C ASP A 20 9.992 42.734 71.870 1.00 72.21 C ATOM 316 O ASP A 20 10.731 42.523 70.910 1.00 44.04 O ATOM 317 CB ASP A 20 7.631 41.914 71.749 1.00 62.10 C ATOM 318 CG ASP A 20 7.883 41.096 73.001 1.00 71.41 C ATOM 319 OD1 ASP A 20 7.359 41.473 74.071 1.00 32.33 O ATOM 320 OD2 ASP A 20 8.602 40.081 72.911 1.00 4.12 O ATOM 0 H ASP A 20 8.840 43.356 69.599 1.00 24.14 H new ATOM 0 HA ASP A 20 8.260 43.844 72.450 1.00 24.51 H new ATOM 0 HB2 ASP A 20 6.589 42.232 71.730 1.00 62.10 H new ATOM 0 HB3 ASP A 20 7.789 41.288 70.871 1.00 62.10 H new ATOM 325 N GLY A 21 10.396 42.624 73.132 1.00 61.02 N ATOM 326 CA GLY A 21 11.761 42.242 73.444 1.00 64.11 C ATOM 327 C GLY A 21 12.407 43.169 74.454 1.00 31.40 C ATOM 328 O GLY A 21 13.373 42.797 75.121 1.00 43.15 O ATOM 0 H GLY A 21 9.802 42.793 73.944 1.00 61.02 H new ATOM 0 HA2 GLY A 21 11.770 41.224 73.833 1.00 64.11 H new ATOM 0 HA3 GLY A 21 12.352 42.239 72.528 1.00 64.11 H new ATOM 332 N LEU A 22 11.874 44.381 74.568 1.00 50.21 N ATOM 333 CA LEU A 22 12.405 45.365 75.504 1.00 23.10 C ATOM 334 C LEU A 22 11.677 45.294 76.842 1.00 15.24 C ATOM 335 O LEU A 22 10.543 45.760 76.968 1.00 5.41 O ATOM 336 CB LEU A 22 12.284 46.773 74.918 1.00 33.34 C ATOM 337 CG LEU A 22 13.170 47.077 73.710 1.00 0.40 C ATOM 338 CD1 LEU A 22 12.331 47.188 72.446 1.00 51.20 C ATOM 339 CD2 LEU A 22 13.965 48.354 73.939 1.00 40.14 C ATOM 0 H LEU A 22 11.075 44.705 74.024 1.00 50.21 H new ATOM 0 HA LEU A 22 13.458 45.138 75.673 1.00 23.10 H new ATOM 0 HB2 LEU A 22 11.245 46.937 74.632 1.00 33.34 H new ATOM 0 HB3 LEU A 22 12.516 47.493 75.703 1.00 33.34 H new ATOM 0 HG LEU A 22 13.873 46.253 73.583 1.00 0.40 H new ATOM 0 HD11 LEU A 22 12.979 47.405 71.597 1.00 51.20 H new ATOM 0 HD12 LEU A 22 11.808 46.247 72.273 1.00 51.20 H new ATOM 0 HD13 LEU A 22 11.604 47.992 72.562 1.00 51.20 H new ATOM 0 HD21 LEU A 22 14.590 48.555 73.069 1.00 40.14 H new ATOM 0 HD22 LEU A 22 13.279 49.187 74.093 1.00 40.14 H new ATOM 0 HD23 LEU A 22 14.596 48.237 74.820 1.00 40.14 H new ATOM 351 N ARG A 23 12.334 44.710 77.838 1.00 70.03 N ATOM 352 CA ARG A 23 11.749 44.580 79.168 1.00 25.23 C ATOM 353 C ARG A 23 11.592 45.945 79.829 1.00 13.24 C ATOM 354 O ARG A 23 10.479 46.374 80.132 1.00 53.31 O ATOM 355 CB ARG A 23 12.616 43.673 80.042 1.00 51.34 C ATOM 356 CG ARG A 23 11.919 43.200 81.308 1.00 61.31 C ATOM 357 CD ARG A 23 12.916 42.683 82.333 1.00 71.24 C ATOM 358 NE ARG A 23 13.241 41.276 82.119 1.00 3.12 N ATOM 359 CZ ARG A 23 13.967 40.552 82.964 1.00 34.15 C ATOM 360 NH1 ARG A 23 14.441 41.100 84.074 1.00 54.20 N ATOM 361 NH2 ARG A 23 14.220 39.276 82.700 1.00 31.23 N ATOM 0 H ARG A 23 13.272 44.319 77.750 1.00 70.03 H new ATOM 0 HA ARG A 23 10.761 44.133 79.061 1.00 25.23 H new ATOM 0 HB2 ARG A 23 12.921 42.804 79.459 1.00 51.34 H new ATOM 0 HB3 ARG A 23 13.525 44.208 80.316 1.00 51.34 H new ATOM 0 HG2 ARG A 23 11.346 44.022 81.738 1.00 61.31 H new ATOM 0 HG3 ARG A 23 11.208 42.412 81.060 1.00 61.31 H new ATOM 0 HD2 ARG A 23 13.828 43.277 82.283 1.00 71.24 H new ATOM 0 HD3 ARG A 23 12.506 42.812 83.335 1.00 71.24 H new ATOM 0 HE ARG A 23 12.891 40.824 81.274 1.00 3.12 H new ATOM 0 HH11 ARG A 23 14.249 42.080 84.281 1.00 54.20 H new ATOM 0 HH12 ARG A 23 14.998 40.542 84.721 1.00 54.20 H new ATOM 0 HH21 ARG A 23 13.857 38.850 81.847 1.00 31.23 H new ATOM 0 HH22 ARG A 23 14.778 38.722 83.350 1.00 31.23 H new ATOM 449 N GLN A 30 4.816 53.357 77.114 1.00 3.33 N ATOM 450 CA GLN A 30 5.035 52.090 76.425 1.00 55.43 C ATOM 451 C GLN A 30 5.954 52.277 75.223 1.00 72.40 C ATOM 452 O GLN A 30 5.539 52.790 74.185 1.00 22.14 O ATOM 453 CB GLN A 30 3.701 51.494 75.975 1.00 65.31 C ATOM 454 CG GLN A 30 2.884 50.903 77.112 1.00 12.13 C ATOM 455 CD GLN A 30 3.567 49.718 77.767 1.00 35.23 C ATOM 456 OE1 GLN A 30 4.252 49.864 78.779 1.00 20.45 O ATOM 457 NE2 GLN A 30 3.381 48.535 77.191 1.00 74.04 N ATOM 0 HA GLN A 30 5.515 51.403 77.122 1.00 55.43 H new ATOM 0 HB2 GLN A 30 3.114 52.269 75.482 1.00 65.31 H new ATOM 0 HB3 GLN A 30 3.891 50.718 75.234 1.00 65.31 H new ATOM 0 HG2 GLN A 30 2.702 51.673 77.862 1.00 12.13 H new ATOM 0 HG3 GLN A 30 1.911 50.592 76.732 1.00 12.13 H new ATOM 0 HE21 GLN A 30 2.805 48.461 76.353 1.00 74.04 H new ATOM 0 HE22 GLN A 30 3.814 47.701 77.587 1.00 74.04 H new ATOM 466 N GLY A 31 7.207 51.857 75.371 1.00 60.22 N ATOM 467 CA GLY A 31 8.166 51.988 74.290 1.00 22.33 C ATOM 468 C GLY A 31 7.797 51.146 73.083 1.00 52.35 C ATOM 469 O GLY A 31 8.285 51.386 71.979 1.00 23.23 O ATOM 0 H GLY A 31 7.575 51.428 76.220 1.00 60.22 H new ATOM 0 HA2 GLY A 31 8.233 53.034 73.993 1.00 22.33 H new ATOM 0 HA3 GLY A 31 9.153 51.694 74.646 1.00 22.33 H new ATOM 473 N ASP A 32 6.936 50.158 73.295 1.00 64.10 N ATOM 474 CA ASP A 32 6.503 49.277 72.217 1.00 30.22 C ATOM 475 C ASP A 32 5.596 50.019 71.240 1.00 14.44 C ATOM 476 O ASP A 32 5.886 50.102 70.046 1.00 11.30 O ATOM 477 CB ASP A 32 5.772 48.060 72.785 1.00 43.35 C ATOM 478 CG ASP A 32 4.814 48.429 73.901 1.00 25.44 C ATOM 479 OD1 ASP A 32 5.279 48.959 74.931 1.00 4.53 O ATOM 480 OD2 ASP A 32 3.599 48.186 73.743 1.00 34.04 O ATOM 0 H ASP A 32 6.524 49.947 74.204 1.00 64.10 H new ATOM 0 HA ASP A 32 7.389 48.940 71.679 1.00 30.22 H new ATOM 0 HB2 ASP A 32 5.221 47.565 71.985 1.00 43.35 H new ATOM 0 HB3 ASP A 32 6.503 47.343 73.159 1.00 43.35 H new ATOM 485 N VAL A 33 4.495 50.557 71.755 1.00 51.05 N ATOM 486 CA VAL A 33 3.545 51.293 70.929 1.00 15.01 C ATOM 487 C VAL A 33 3.994 52.736 70.729 1.00 32.33 C ATOM 488 O VAL A 33 3.590 53.396 69.771 1.00 65.40 O ATOM 489 CB VAL A 33 2.137 51.287 71.553 1.00 34.35 C ATOM 490 CG1 VAL A 33 1.605 49.866 71.656 1.00 3.15 C ATOM 491 CG2 VAL A 33 2.155 51.959 72.918 1.00 63.41 C ATOM 0 H VAL A 33 4.239 50.497 72.740 1.00 51.05 H new ATOM 0 HA VAL A 33 3.508 50.790 69.963 1.00 15.01 H new ATOM 0 HB VAL A 33 1.469 51.854 70.904 1.00 34.35 H new ATOM 0 HG11 VAL A 33 0.609 49.882 72.099 1.00 3.15 H new ATOM 0 HG12 VAL A 33 1.553 49.424 70.661 1.00 3.15 H new ATOM 0 HG13 VAL A 33 2.271 49.272 72.282 1.00 3.15 H new ATOM 0 HG21 VAL A 33 1.152 51.945 73.344 1.00 63.41 H new ATOM 0 HG22 VAL A 33 2.837 51.423 73.578 1.00 63.41 H new ATOM 0 HG23 VAL A 33 2.490 52.991 72.811 1.00 63.41 H new ATOM 501 N LYS A 34 4.832 53.222 71.638 1.00 12.44 N ATOM 502 CA LYS A 34 5.337 54.587 71.562 1.00 41.32 C ATOM 503 C LYS A 34 6.137 54.799 70.280 1.00 71.23 C ATOM 504 O LYS A 34 6.092 55.874 69.681 1.00 31.31 O ATOM 505 CB LYS A 34 6.213 54.896 72.779 1.00 73.51 C ATOM 506 CG LYS A 34 7.021 56.175 72.637 1.00 64.11 C ATOM 507 CD LYS A 34 8.201 56.197 73.594 1.00 74.44 C ATOM 508 CE LYS A 34 9.457 56.725 72.918 1.00 52.24 C ATOM 509 NZ LYS A 34 9.985 55.772 71.904 1.00 30.22 N ATOM 0 H LYS A 34 5.176 52.690 72.437 1.00 12.44 H new ATOM 0 HA LYS A 34 4.484 55.265 71.554 1.00 41.32 H new ATOM 0 HB2 LYS A 34 5.579 54.973 73.663 1.00 73.51 H new ATOM 0 HB3 LYS A 34 6.895 54.062 72.947 1.00 73.51 H new ATOM 0 HG2 LYS A 34 7.381 56.268 71.612 1.00 64.11 H new ATOM 0 HG3 LYS A 34 6.380 57.035 72.829 1.00 64.11 H new ATOM 0 HD2 LYS A 34 7.961 56.820 74.455 1.00 74.44 H new ATOM 0 HD3 LYS A 34 8.385 55.191 73.970 1.00 74.44 H new ATOM 0 HE2 LYS A 34 9.238 57.679 72.439 1.00 52.24 H new ATOM 0 HE3 LYS A 34 10.222 56.914 73.671 1.00 52.24 H new ATOM 0 HZ1 LYS A 34 10.980 55.996 71.702 1.00 30.22 H new ATOM 0 HZ2 LYS A 34 9.916 54.801 72.271 1.00 30.22 H new ATOM 0 HZ3 LYS A 34 9.428 55.852 71.029 1.00 30.22 H new ATOM 523 N VAL A 35 6.867 53.769 69.865 1.00 73.25 N ATOM 524 CA VAL A 35 7.674 53.843 68.654 1.00 62.51 C ATOM 525 C VAL A 35 6.809 53.685 67.407 1.00 62.12 C ATOM 526 O VAL A 35 7.196 54.100 66.315 1.00 3.02 O ATOM 527 CB VAL A 35 8.771 52.763 68.643 1.00 60.25 C ATOM 528 CG1 VAL A 35 9.606 52.838 69.913 1.00 15.11 C ATOM 529 CG2 VAL A 35 8.158 51.381 68.479 1.00 31.14 C ATOM 0 H VAL A 35 6.916 52.873 70.350 1.00 73.25 H new ATOM 0 HA VAL A 35 8.143 54.827 68.646 1.00 62.51 H new ATOM 0 HB VAL A 35 9.428 52.946 67.793 1.00 60.25 H new ATOM 0 HG11 VAL A 35 10.376 52.067 69.888 1.00 15.11 H new ATOM 0 HG12 VAL A 35 10.076 53.819 69.982 1.00 15.11 H new ATOM 0 HG13 VAL A 35 8.964 52.681 70.780 1.00 15.11 H new ATOM 0 HG21 VAL A 35 8.949 50.631 68.473 1.00 31.14 H new ATOM 0 HG22 VAL A 35 7.477 51.184 69.307 1.00 31.14 H new ATOM 0 HG23 VAL A 35 7.608 51.336 67.539 1.00 31.14 H new ATOM 539 N TRP A 36 5.638 53.084 67.579 1.00 31.23 N ATOM 540 CA TRP A 36 4.718 52.871 66.468 1.00 21.31 C ATOM 541 C TRP A 36 4.429 54.181 65.743 1.00 21.21 C ATOM 542 O TRP A 36 4.333 54.213 64.516 1.00 31.14 O ATOM 543 CB TRP A 36 3.412 52.254 66.971 1.00 32.33 C ATOM 544 CG TRP A 36 2.401 52.037 65.886 1.00 12.35 C ATOM 545 CD1 TRP A 36 1.910 52.975 65.023 1.00 43.15 C ATOM 546 CD2 TRP A 36 1.754 50.804 65.552 1.00 31.41 C ATOM 547 NE1 TRP A 36 0.999 52.399 64.171 1.00 74.10 N ATOM 548 CE2 TRP A 36 0.886 51.068 64.474 1.00 70.13 C ATOM 549 CE3 TRP A 36 1.825 49.503 66.055 1.00 42.23 C ATOM 550 CZ2 TRP A 36 0.096 50.078 63.895 1.00 52.42 C ATOM 551 CZ3 TRP A 36 1.041 48.521 65.480 1.00 21.50 C ATOM 552 CH2 TRP A 36 0.186 48.813 64.409 1.00 64.51 C ATOM 0 H TRP A 36 5.303 52.735 68.477 1.00 31.23 H new ATOM 0 HA TRP A 36 5.189 52.184 65.765 1.00 21.31 H new ATOM 0 HB2 TRP A 36 3.630 51.300 67.450 1.00 32.33 H new ATOM 0 HB3 TRP A 36 2.982 52.903 67.734 1.00 32.33 H new ATOM 0 HD1 TRP A 36 2.196 54.016 65.012 1.00 43.15 H new ATOM 0 HE1 TRP A 36 0.489 52.884 63.432 1.00 74.10 H new ATOM 0 HE3 TRP A 36 2.482 49.268 66.880 1.00 42.23 H new ATOM 0 HZ2 TRP A 36 -0.564 50.301 63.070 1.00 52.42 H new ATOM 0 HZ3 TRP A 36 1.088 47.512 65.862 1.00 21.50 H new ATOM 0 HH2 TRP A 36 -0.414 48.024 63.981 1.00 64.51 H new ATOM 563 N MET A 37 4.291 55.259 66.507 1.00 44.24 N ATOM 564 CA MET A 37 4.015 56.571 65.935 1.00 13.14 C ATOM 565 C MET A 37 5.306 57.255 65.495 1.00 34.15 C ATOM 566 O MET A 37 5.320 57.999 64.515 1.00 63.21 O ATOM 567 CB MET A 37 3.279 57.449 66.950 1.00 44.23 C ATOM 568 CG MET A 37 3.970 57.525 68.302 1.00 3.52 C ATOM 569 SD MET A 37 3.349 56.300 69.469 1.00 1.52 S ATOM 570 CE MET A 37 1.589 56.626 69.398 1.00 50.03 C ATOM 0 H MET A 37 4.366 55.250 67.524 1.00 44.24 H new ATOM 0 HA MET A 37 3.382 56.432 65.059 1.00 13.14 H new ATOM 0 HB2 MET A 37 3.181 58.456 66.544 1.00 44.23 H new ATOM 0 HB3 MET A 37 2.269 57.062 67.088 1.00 44.23 H new ATOM 0 HG2 MET A 37 5.042 57.381 68.166 1.00 3.52 H new ATOM 0 HG3 MET A 37 3.833 58.522 68.720 1.00 3.52 H new ATOM 0 HE1 MET A 37 1.153 56.487 70.387 1.00 50.03 H new ATOM 0 HE2 MET A 37 1.422 57.651 69.068 1.00 50.03 H new ATOM 0 HE3 MET A 37 1.120 55.938 68.695 1.00 50.03 H new ATOM 580 N GLN A 38 6.385 56.999 66.226 1.00 51.21 N ATOM 581 CA GLN A 38 7.680 57.591 65.911 1.00 73.32 C ATOM 582 C GLN A 38 8.237 57.020 64.612 1.00 72.13 C ATOM 583 O GLN A 38 9.015 57.674 63.919 1.00 23.33 O ATOM 584 CB GLN A 38 8.667 57.350 67.054 1.00 10.14 C ATOM 585 CG GLN A 38 9.579 56.154 66.827 1.00 62.14 C ATOM 586 CD GLN A 38 10.721 56.463 65.878 1.00 73.03 C ATOM 587 OE1 GLN A 38 11.338 57.527 65.957 1.00 5.13 O ATOM 588 NE2 GLN A 38 11.008 55.534 64.974 1.00 33.21 N ATOM 0 H GLN A 38 6.389 56.385 67.041 1.00 51.21 H new ATOM 0 HA GLN A 38 7.539 58.664 65.784 1.00 73.32 H new ATOM 0 HB2 GLN A 38 9.278 58.242 67.190 1.00 10.14 H new ATOM 0 HB3 GLN A 38 8.110 57.202 67.979 1.00 10.14 H new ATOM 0 HG2 GLN A 38 9.985 55.825 67.783 1.00 62.14 H new ATOM 0 HG3 GLN A 38 8.993 55.326 66.428 1.00 62.14 H new ATOM 0 HE21 GLN A 38 10.471 54.667 64.945 1.00 33.21 H new ATOM 0 HE22 GLN A 38 11.766 55.687 64.309 1.00 33.21 H new ATOM 597 N ASN A 39 7.834 55.796 64.288 1.00 24.31 N ATOM 598 CA ASN A 39 8.295 55.136 63.072 1.00 64.50 C ATOM 599 C ASN A 39 7.622 55.735 61.840 1.00 23.14 C ATOM 600 O ASN A 39 8.204 55.765 60.755 1.00 71.31 O ATOM 601 CB ASN A 39 8.011 53.635 63.142 1.00 41.50 C ATOM 602 CG ASN A 39 9.281 52.809 63.227 1.00 41.12 C ATOM 603 OD1 ASN A 39 10.331 53.212 62.725 1.00 31.31 O ATOM 604 ND2 ASN A 39 9.191 51.648 63.864 1.00 71.24 N ATOM 0 H ASN A 39 7.189 55.241 64.851 1.00 24.31 H new ATOM 0 HA ASN A 39 9.371 55.292 62.989 1.00 64.50 H new ATOM 0 HB2 ASN A 39 7.386 53.426 64.011 1.00 41.50 H new ATOM 0 HB3 ASN A 39 7.443 53.334 62.261 1.00 41.50 H new ATOM 0 HD21 ASN A 39 10.013 51.050 63.953 1.00 71.24 H new ATOM 0 HD22 ASN A 39 8.300 51.354 64.265 1.00 71.24 H new ATOM 611 N LEU A 40 6.394 56.209 62.016 1.00 74.11 N ATOM 612 CA LEU A 40 5.641 56.807 60.919 1.00 75.23 C ATOM 613 C LEU A 40 6.072 58.252 60.688 1.00 53.10 C ATOM 614 O LEU A 40 6.363 58.650 59.560 1.00 61.21 O ATOM 615 CB LEU A 40 4.141 56.752 61.214 1.00 52.33 C ATOM 616 CG LEU A 40 3.691 55.676 62.204 1.00 75.13 C ATOM 617 CD1 LEU A 40 2.183 55.492 62.143 1.00 74.02 C ATOM 618 CD2 LEU A 40 4.403 54.361 61.923 1.00 61.23 C ATOM 0 H LEU A 40 5.898 56.191 62.907 1.00 74.11 H new ATOM 0 HA LEU A 40 5.848 56.235 60.014 1.00 75.23 H new ATOM 0 HB2 LEU A 40 3.831 57.724 61.598 1.00 52.33 H new ATOM 0 HB3 LEU A 40 3.611 56.597 60.274 1.00 52.33 H new ATOM 0 HG LEU A 40 3.956 56.001 63.210 1.00 75.13 H new ATOM 0 HD11 LEU A 40 1.881 54.723 62.854 1.00 74.02 H new ATOM 0 HD12 LEU A 40 1.691 56.432 62.395 1.00 74.02 H new ATOM 0 HD13 LEU A 40 1.894 55.189 61.137 1.00 74.02 H new ATOM 0 HD21 LEU A 40 4.070 53.607 62.637 1.00 61.23 H new ATOM 0 HD22 LEU A 40 4.170 54.030 60.911 1.00 61.23 H new ATOM 0 HD23 LEU A 40 5.479 54.502 62.020 1.00 61.23 H new ATOM 630 N GLU A 41 6.112 59.033 61.764 1.00 10.14 N ATOM 631 CA GLU A 41 6.508 60.433 61.677 1.00 52.22 C ATOM 632 C GLU A 41 7.753 60.593 60.808 1.00 33.12 C ATOM 633 O GLU A 41 7.963 61.638 60.192 1.00 54.12 O ATOM 634 CB GLU A 41 6.772 60.999 63.073 1.00 11.40 C ATOM 635 CG GLU A 41 6.260 62.417 63.263 1.00 71.34 C ATOM 636 CD GLU A 41 7.367 63.395 63.612 1.00 1.45 C ATOM 637 OE1 GLU A 41 8.333 62.980 64.285 1.00 1.44 O ATOM 638 OE2 GLU A 41 7.265 64.573 63.213 1.00 51.44 O ATOM 0 H GLU A 41 5.875 58.719 62.705 1.00 10.14 H new ATOM 0 HA GLU A 41 5.690 60.987 61.217 1.00 52.22 H new ATOM 0 HB2 GLU A 41 6.303 60.350 63.813 1.00 11.40 H new ATOM 0 HB3 GLU A 41 7.845 60.980 63.266 1.00 11.40 H new ATOM 0 HG2 GLU A 41 5.764 62.746 62.350 1.00 71.34 H new ATOM 0 HG3 GLU A 41 5.510 62.426 64.054 1.00 71.34 H new ATOM 645 N ASP A 42 8.574 59.550 60.765 1.00 61.23 N ATOM 646 CA ASP A 42 9.798 59.574 59.972 1.00 44.23 C ATOM 647 C ASP A 42 9.508 59.225 58.516 1.00 22.21 C ATOM 648 O ASP A 42 10.015 59.873 57.598 1.00 34.03 O ATOM 649 CB ASP A 42 10.823 58.596 60.548 1.00 50.15 C ATOM 650 CG ASP A 42 12.248 59.085 60.379 1.00 61.42 C ATOM 651 OD1 ASP A 42 12.629 59.420 59.238 1.00 24.31 O ATOM 652 OD2 ASP A 42 12.984 59.133 61.387 1.00 74.52 O ATOM 0 H ASP A 42 8.415 58.678 61.269 1.00 61.23 H new ATOM 0 HA ASP A 42 10.208 60.583 60.011 1.00 44.23 H new ATOM 0 HB2 ASP A 42 10.618 58.442 61.607 1.00 50.15 H new ATOM 0 HB3 ASP A 42 10.713 57.629 60.058 1.00 50.15 H new ATOM 657 N LEU A 43 8.693 58.198 58.309 1.00 10.02 N ATOM 658 CA LEU A 43 8.336 57.762 56.963 1.00 1.21 C ATOM 659 C LEU A 43 7.174 58.583 56.415 1.00 20.32 C ATOM 660 O LEU A 43 7.289 59.217 55.365 1.00 55.21 O ATOM 661 CB LEU A 43 7.968 56.277 56.968 1.00 43.22 C ATOM 662 CG LEU A 43 8.269 55.507 55.681 1.00 11.43 C ATOM 663 CD1 LEU A 43 7.616 56.186 54.488 1.00 75.44 C ATOM 664 CD2 LEU A 43 9.771 55.385 55.472 1.00 5.22 C ATOM 0 H LEU A 43 8.266 57.650 59.056 1.00 10.02 H new ATOM 0 HA LEU A 43 9.201 57.914 56.317 1.00 1.21 H new ATOM 0 HB2 LEU A 43 8.498 55.794 57.789 1.00 43.22 H new ATOM 0 HB3 LEU A 43 6.903 56.188 57.181 1.00 43.22 H new ATOM 0 HG LEU A 43 7.853 54.504 55.774 1.00 11.43 H new ATOM 0 HD11 LEU A 43 7.841 55.624 53.581 1.00 75.44 H new ATOM 0 HD12 LEU A 43 6.536 56.221 54.635 1.00 75.44 H new ATOM 0 HD13 LEU A 43 8.002 57.201 54.391 1.00 75.44 H new ATOM 0 HD21 LEU A 43 9.967 54.834 54.552 1.00 5.22 H new ATOM 0 HD22 LEU A 43 10.210 56.380 55.400 1.00 5.22 H new ATOM 0 HD23 LEU A 43 10.214 54.853 56.314 1.00 5.22 H new ATOM 676 N HIS A 44 6.055 58.571 57.134 1.00 23.01 N ATOM 677 CA HIS A 44 4.873 59.317 56.720 1.00 33.52 C ATOM 678 C HIS A 44 5.260 60.686 56.168 1.00 54.14 C ATOM 679 O HIS A 44 4.861 61.059 55.065 1.00 15.12 O ATOM 680 CB HIS A 44 3.910 59.482 57.896 1.00 55.31 C ATOM 681 CG HIS A 44 2.474 59.587 57.486 1.00 24.13 C ATOM 682 ND1 HIS A 44 2.045 60.381 56.443 1.00 62.24 N ATOM 683 CD2 HIS A 44 1.365 58.990 57.982 1.00 73.11 C ATOM 684 CE1 HIS A 44 0.735 60.270 56.317 1.00 52.13 C ATOM 685 NE2 HIS A 44 0.298 59.432 57.239 1.00 43.41 N ATOM 0 H HIS A 44 5.943 58.053 58.005 1.00 23.01 H new ATOM 0 HA HIS A 44 4.377 58.753 55.930 1.00 33.52 H new ATOM 0 HB2 HIS A 44 4.025 58.634 58.571 1.00 55.31 H new ATOM 0 HB3 HIS A 44 4.185 60.375 58.457 1.00 55.31 H new ATOM 0 HD2 HIS A 44 1.326 58.295 58.808 1.00 73.11 H new ATOM 0 HE1 HIS A 44 0.125 60.778 55.585 1.00 52.13 H new ATOM 0 HE2 HIS A 44 -0.675 59.157 57.377 1.00 43.41 H new ATOM 693 N THR A 45 6.039 61.433 56.945 1.00 4.41 N ATOM 694 CA THR A 45 6.479 62.761 56.535 1.00 3.34 C ATOM 695 C THR A 45 6.898 62.774 55.070 1.00 13.15 C ATOM 696 O THR A 45 6.646 63.741 54.351 1.00 33.13 O ATOM 697 CB THR A 45 7.655 63.254 57.399 1.00 33.34 C ATOM 698 OG1 THR A 45 8.139 64.505 56.898 1.00 73.33 O ATOM 699 CG2 THR A 45 8.784 62.235 57.408 1.00 15.23 C ATOM 0 H THR A 45 6.378 61.141 57.862 1.00 4.41 H new ATOM 0 HA THR A 45 5.631 63.432 56.672 1.00 3.34 H new ATOM 0 HB THR A 45 7.297 63.385 58.420 1.00 33.34 H new ATOM 0 HG1 THR A 45 8.886 64.813 57.453 1.00 73.33 H new ATOM 0 HG21 THR A 45 9.603 62.605 58.024 1.00 15.23 H new ATOM 0 HG22 THR A 45 8.420 61.292 57.816 1.00 15.23 H new ATOM 0 HG23 THR A 45 9.139 62.076 56.390 1.00 15.23 H new ATOM 707 N ARG A 46 7.538 61.694 54.633 1.00 62.51 N ATOM 708 CA ARG A 46 7.993 61.582 53.252 1.00 40.42 C ATOM 709 C ARG A 46 6.940 60.898 52.387 1.00 3.15 C ATOM 710 O ARG A 46 6.515 61.438 51.365 1.00 1.52 O ATOM 711 CB ARG A 46 9.307 60.802 53.187 1.00 12.51 C ATOM 712 CG ARG A 46 10.337 61.420 52.257 1.00 70.33 C ATOM 713 CD ARG A 46 11.705 61.507 52.917 1.00 1.03 C ATOM 714 NE ARG A 46 12.779 61.633 51.936 1.00 10.14 N ATOM 715 CZ ARG A 46 13.145 60.652 51.118 1.00 42.31 C ATOM 716 NH1 ARG A 46 12.526 59.480 51.163 1.00 44.23 N ATOM 717 NH2 ARG A 46 14.133 60.843 50.253 1.00 31.43 N ATOM 0 H ARG A 46 7.753 60.884 55.215 1.00 62.51 H new ATOM 0 HA ARG A 46 8.157 62.589 52.867 1.00 40.42 H new ATOM 0 HB2 ARG A 46 9.729 60.734 54.190 1.00 12.51 H new ATOM 0 HB3 ARG A 46 9.099 59.783 52.859 1.00 12.51 H new ATOM 0 HG2 ARG A 46 10.409 60.826 51.346 1.00 70.33 H new ATOM 0 HG3 ARG A 46 10.010 62.417 51.962 1.00 70.33 H new ATOM 0 HD2 ARG A 46 11.728 62.363 53.592 1.00 1.03 H new ATOM 0 HD3 ARG A 46 11.872 60.617 53.525 1.00 1.03 H new ATOM 0 HE ARG A 46 13.275 62.522 51.875 1.00 10.14 H new ATOM 0 HH11 ARG A 46 11.766 59.330 51.827 1.00 44.23 H new ATOM 0 HH12 ARG A 46 12.809 58.729 50.534 1.00 44.23 H new ATOM 0 HH21 ARG A 46 14.612 61.743 50.216 1.00 31.43 H new ATOM 0 HH22 ARG A 46 14.414 60.090 49.625 1.00 31.43 H new ATOM 731 N ARG A 47 6.523 59.706 52.802 1.00 14.33 N ATOM 732 CA ARG A 47 5.521 58.947 52.064 1.00 0.33 C ATOM 733 C ARG A 47 4.552 58.254 53.019 1.00 72.41 C ATOM 734 O ARG A 47 4.946 57.478 53.889 1.00 61.43 O ATOM 735 CB ARG A 47 6.196 57.910 51.165 1.00 3.52 C ATOM 736 CG ARG A 47 5.271 57.324 50.111 1.00 23.11 C ATOM 737 CD ARG A 47 5.769 57.623 48.706 1.00 24.45 C ATOM 738 NE ARG A 47 4.897 57.052 47.682 1.00 41.52 N ATOM 739 CZ ARG A 47 3.681 57.511 47.413 1.00 75.22 C ATOM 740 NH1 ARG A 47 3.195 58.545 48.089 1.00 25.54 N ATOM 741 NH2 ARG A 47 2.947 56.939 46.467 1.00 51.23 N ATOM 0 H ARG A 47 6.864 59.245 53.646 1.00 14.33 H new ATOM 0 HA ARG A 47 4.958 59.644 51.444 1.00 0.33 H new ATOM 0 HB2 ARG A 47 7.051 58.372 50.670 1.00 3.52 H new ATOM 0 HB3 ARG A 47 6.585 57.102 51.785 1.00 3.52 H new ATOM 0 HG2 ARG A 47 5.196 56.245 50.250 1.00 23.11 H new ATOM 0 HG3 ARG A 47 4.268 57.732 50.238 1.00 23.11 H new ATOM 0 HD2 ARG A 47 5.833 58.702 48.566 1.00 24.45 H new ATOM 0 HD3 ARG A 47 6.777 57.225 48.587 1.00 24.45 H new ATOM 0 HE ARG A 47 5.242 56.257 47.144 1.00 41.52 H new ATOM 0 HH11 ARG A 47 3.756 58.988 48.816 1.00 25.54 H new ATOM 0 HH12 ARG A 47 2.260 58.896 47.881 1.00 25.54 H new ATOM 0 HH21 ARG A 47 3.317 56.145 45.945 1.00 51.23 H new ATOM 0 HH22 ARG A 47 2.013 57.294 46.262 1.00 51.23 H new ATOM 755 N PRO A 48 3.252 58.541 52.853 1.00 74.34 N ATOM 756 CA PRO A 48 2.199 57.957 53.690 1.00 74.21 C ATOM 757 C PRO A 48 2.006 56.469 53.423 1.00 20.32 C ATOM 758 O PRO A 48 2.009 55.657 54.348 1.00 21.13 O ATOM 759 CB PRO A 48 0.948 58.741 53.285 1.00 24.34 C ATOM 760 CG PRO A 48 1.227 59.209 51.898 1.00 61.24 C ATOM 761 CD PRO A 48 2.709 59.458 51.835 1.00 3.31 C ATOM 0 HA PRO A 48 2.436 58.026 54.752 1.00 74.21 H new ATOM 0 HB2 PRO A 48 0.058 58.112 53.319 1.00 24.34 H new ATOM 0 HB3 PRO A 48 0.771 59.580 53.958 1.00 24.34 H new ATOM 0 HG2 PRO A 48 0.926 58.460 51.165 1.00 61.24 H new ATOM 0 HG3 PRO A 48 0.669 60.118 51.673 1.00 61.24 H new ATOM 0 HD2 PRO A 48 3.111 59.243 50.845 1.00 3.31 H new ATOM 0 HD3 PRO A 48 2.952 60.497 52.059 1.00 3.31 H new ATOM 769 N ASP A 49 1.838 56.117 52.153 1.00 51.13 N ATOM 770 CA ASP A 49 1.644 54.726 51.764 1.00 4.15 C ATOM 771 C ASP A 49 2.681 53.826 52.429 1.00 51.34 C ATOM 772 O ASP A 49 2.420 52.654 52.697 1.00 1.43 O ATOM 773 CB ASP A 49 1.728 54.581 50.244 1.00 32.41 C ATOM 774 CG ASP A 49 1.284 53.212 49.766 1.00 74.33 C ATOM 775 OD1 ASP A 49 0.266 52.705 50.281 1.00 12.14 O ATOM 776 OD2 ASP A 49 1.955 52.649 48.876 1.00 15.03 O ATOM 0 H ASP A 49 1.832 56.777 51.375 1.00 51.13 H new ATOM 0 HA ASP A 49 0.653 54.418 52.097 1.00 4.15 H new ATOM 0 HB2 ASP A 49 1.108 55.345 49.775 1.00 32.41 H new ATOM 0 HB3 ASP A 49 2.754 54.760 49.921 1.00 32.41 H new ATOM 781 N GLU A 50 3.859 54.383 52.692 1.00 40.54 N ATOM 782 CA GLU A 50 4.936 53.630 53.324 1.00 43.24 C ATOM 783 C GLU A 50 4.876 53.765 54.843 1.00 14.13 C ATOM 784 O GLU A 50 5.388 52.917 55.573 1.00 53.53 O ATOM 785 CB GLU A 50 6.295 54.112 52.811 1.00 12.44 C ATOM 786 CG GLU A 50 6.773 53.377 51.571 1.00 63.21 C ATOM 787 CD GLU A 50 7.931 52.441 51.858 1.00 3.22 C ATOM 788 OE1 GLU A 50 7.680 51.321 52.352 1.00 53.21 O ATOM 789 OE2 GLU A 50 9.087 52.826 51.588 1.00 60.43 O ATOM 0 H GLU A 50 4.092 55.353 52.477 1.00 40.54 H new ATOM 0 HA GLU A 50 4.810 52.579 53.065 1.00 43.24 H new ATOM 0 HB2 GLU A 50 6.233 55.178 52.590 1.00 12.44 H new ATOM 0 HB3 GLU A 50 7.036 53.993 53.602 1.00 12.44 H new ATOM 0 HG2 GLU A 50 5.945 52.806 51.150 1.00 63.21 H new ATOM 0 HG3 GLU A 50 7.076 54.103 50.817 1.00 63.21 H new ATOM 796 N PHE A 51 4.246 54.838 55.311 1.00 42.22 N ATOM 797 CA PHE A 51 4.120 55.087 56.742 1.00 33.31 C ATOM 798 C PHE A 51 3.714 53.815 57.481 1.00 73.04 C ATOM 799 O PHE A 51 4.204 53.535 58.576 1.00 2.21 O ATOM 800 CB PHE A 51 3.092 56.191 57.001 1.00 63.23 C ATOM 801 CG PHE A 51 1.802 55.685 57.581 1.00 63.02 C ATOM 802 CD1 PHE A 51 1.779 55.073 58.823 1.00 71.13 C ATOM 803 CD2 PHE A 51 0.614 55.823 56.883 1.00 1.34 C ATOM 804 CE1 PHE A 51 0.594 54.606 59.359 1.00 32.52 C ATOM 805 CE2 PHE A 51 -0.575 55.359 57.414 1.00 11.35 C ATOM 806 CZ PHE A 51 -0.585 54.750 58.654 1.00 14.22 C ATOM 0 H PHE A 51 3.815 55.549 54.720 1.00 42.22 H new ATOM 0 HA PHE A 51 5.091 55.410 57.116 1.00 33.31 H new ATOM 0 HB2 PHE A 51 3.523 56.926 57.681 1.00 63.23 H new ATOM 0 HB3 PHE A 51 2.882 56.708 56.065 1.00 63.23 H new ATOM 0 HD1 PHE A 51 2.698 54.959 59.379 1.00 71.13 H new ATOM 0 HD2 PHE A 51 0.616 56.298 55.913 1.00 1.34 H new ATOM 0 HE1 PHE A 51 0.590 54.129 60.328 1.00 32.52 H new ATOM 0 HE2 PHE A 51 -1.495 55.472 56.860 1.00 11.35 H new ATOM 0 HZ PHE A 51 -1.513 54.387 59.071 1.00 14.22 H new ATOM 816 N THR A 52 2.813 53.048 56.876 1.00 33.52 N ATOM 817 CA THR A 52 2.339 51.807 57.475 1.00 13.33 C ATOM 818 C THR A 52 3.349 50.683 57.284 1.00 1.41 C ATOM 819 O THR A 52 3.353 49.705 58.032 1.00 63.14 O ATOM 820 CB THR A 52 0.987 51.374 56.876 1.00 71.10 C ATOM 821 OG1 THR A 52 1.191 50.773 55.592 1.00 14.41 O ATOM 822 CG2 THR A 52 0.049 52.564 56.740 1.00 71.44 C ATOM 0 H THR A 52 2.396 53.265 55.971 1.00 33.52 H new ATOM 0 HA THR A 52 2.211 52.000 58.540 1.00 13.33 H new ATOM 0 HB THR A 52 0.532 50.648 57.550 1.00 71.10 H new ATOM 0 HG1 THR A 52 0.328 50.499 55.218 1.00 14.41 H new ATOM 0 HG21 THR A 52 -0.899 52.234 56.315 1.00 71.44 H new ATOM 0 HG22 THR A 52 -0.127 53.003 57.722 1.00 71.44 H new ATOM 0 HG23 THR A 52 0.500 53.310 56.085 1.00 71.44 H new ATOM 830 N ALA A 53 4.206 50.827 56.279 1.00 22.51 N ATOM 831 CA ALA A 53 5.224 49.824 55.992 1.00 53.41 C ATOM 832 C ALA A 53 6.315 49.830 57.057 1.00 42.44 C ATOM 833 O ALA A 53 7.055 48.857 57.206 1.00 50.45 O ATOM 834 CB ALA A 53 5.826 50.062 54.614 1.00 54.55 C ATOM 0 H ALA A 53 4.216 51.629 55.649 1.00 22.51 H new ATOM 0 HA ALA A 53 4.747 48.844 56.003 1.00 53.41 H new ATOM 0 HB1 ALA A 53 6.585 49.306 54.413 1.00 54.55 H new ATOM 0 HB2 ALA A 53 5.042 50.000 53.859 1.00 54.55 H new ATOM 0 HB3 ALA A 53 6.283 51.051 54.582 1.00 54.55 H new ATOM 840 N ARG A 54 6.412 50.932 57.794 1.00 22.34 N ATOM 841 CA ARG A 54 7.415 51.064 58.843 1.00 34.11 C ATOM 842 C ARG A 54 7.108 50.128 60.008 1.00 43.53 C ATOM 843 O ARG A 54 7.865 49.197 60.286 1.00 44.54 O ATOM 844 CB ARG A 54 7.477 52.510 59.340 1.00 72.12 C ATOM 845 CG ARG A 54 8.828 52.899 59.916 1.00 3.11 C ATOM 846 CD ARG A 54 9.732 53.508 58.855 1.00 54.33 C ATOM 847 NE ARG A 54 11.014 52.815 58.765 1.00 25.01 N ATOM 848 CZ ARG A 54 12.121 53.375 58.290 1.00 55.43 C ATOM 849 NH1 ARG A 54 12.103 54.632 57.869 1.00 33.22 N ATOM 850 NH2 ARG A 54 13.250 52.680 58.240 1.00 12.14 N ATOM 0 H ARG A 54 5.808 51.746 57.684 1.00 22.34 H new ATOM 0 HA ARG A 54 8.383 50.790 58.423 1.00 34.11 H new ATOM 0 HB2 ARG A 54 7.237 53.180 58.514 1.00 72.12 H new ATOM 0 HB3 ARG A 54 6.711 52.657 60.102 1.00 72.12 H new ATOM 0 HG2 ARG A 54 8.687 53.612 60.728 1.00 3.11 H new ATOM 0 HG3 ARG A 54 9.309 52.020 60.344 1.00 3.11 H new ATOM 0 HD2 ARG A 54 9.231 53.471 57.888 1.00 54.33 H new ATOM 0 HD3 ARG A 54 9.904 54.560 59.085 1.00 54.33 H new ATOM 0 HE ARG A 54 11.062 51.848 59.084 1.00 25.01 H new ATOM 0 HH11 ARG A 54 11.238 55.171 57.909 1.00 33.22 H new ATOM 0 HH12 ARG A 54 12.954 55.060 57.505 1.00 33.22 H new ATOM 0 HH21 ARG A 54 13.269 51.714 58.567 1.00 12.14 H new ATOM 0 HH22 ARG A 54 14.099 53.112 57.875 1.00 12.14 H new ATOM 864 N LEU A 55 5.996 50.382 60.689 1.00 23.43 N ATOM 865 CA LEU A 55 5.589 49.561 61.824 1.00 74.13 C ATOM 866 C LEU A 55 5.031 48.222 61.357 1.00 40.52 C ATOM 867 O LEU A 55 4.959 47.266 62.129 1.00 51.12 O ATOM 868 CB LEU A 55 4.543 50.299 62.662 1.00 21.42 C ATOM 869 CG LEU A 55 3.145 50.400 62.051 1.00 12.34 C ATOM 870 CD1 LEU A 55 3.199 51.107 60.706 1.00 32.11 C ATOM 871 CD2 LEU A 55 2.525 49.017 61.904 1.00 63.23 C ATOM 0 H LEU A 55 5.360 51.150 60.475 1.00 23.43 H new ATOM 0 HA LEU A 55 6.470 49.371 62.437 1.00 74.13 H new ATOM 0 HB2 LEU A 55 4.461 49.799 63.627 1.00 21.42 H new ATOM 0 HB3 LEU A 55 4.907 51.308 62.856 1.00 21.42 H new ATOM 0 HG LEU A 55 2.519 50.988 62.722 1.00 12.34 H new ATOM 0 HD11 LEU A 55 2.195 51.169 60.287 1.00 32.11 H new ATOM 0 HD12 LEU A 55 3.600 52.112 60.839 1.00 32.11 H new ATOM 0 HD13 LEU A 55 3.842 50.547 60.026 1.00 32.11 H new ATOM 0 HD21 LEU A 55 1.530 49.109 61.468 1.00 63.23 H new ATOM 0 HD22 LEU A 55 3.151 48.405 61.255 1.00 63.23 H new ATOM 0 HD23 LEU A 55 2.449 48.546 62.884 1.00 63.23 H new ATOM 883 N GLN A 56 4.640 48.159 60.088 1.00 41.03 N ATOM 884 CA GLN A 56 4.090 46.935 59.518 1.00 41.13 C ATOM 885 C GLN A 56 5.004 45.746 59.799 1.00 12.44 C ATOM 886 O GLN A 56 4.535 44.653 60.116 1.00 21.35 O ATOM 887 CB GLN A 56 3.891 47.095 58.010 1.00 31.04 C ATOM 888 CG GLN A 56 3.904 45.777 57.252 1.00 1.31 C ATOM 889 CD GLN A 56 2.854 45.722 56.160 1.00 1.05 C ATOM 890 OE1 GLN A 56 1.825 46.395 56.237 1.00 44.33 O ATOM 891 NE2 GLN A 56 3.107 44.918 55.134 1.00 11.52 N ATOM 0 H GLN A 56 4.694 48.941 59.435 1.00 41.03 H new ATOM 0 HA GLN A 56 3.124 46.747 59.987 1.00 41.13 H new ATOM 0 HB2 GLN A 56 2.942 47.600 57.829 1.00 31.04 H new ATOM 0 HB3 GLN A 56 4.676 47.740 57.615 1.00 31.04 H new ATOM 0 HG2 GLN A 56 4.889 45.625 56.811 1.00 1.31 H new ATOM 0 HG3 GLN A 56 3.738 44.958 57.952 1.00 1.31 H new ATOM 0 HE21 GLN A 56 3.972 44.378 55.110 1.00 11.52 H new ATOM 0 HE22 GLN A 56 2.436 44.840 54.370 1.00 11.52 H new ATOM 900 N GLN A 57 6.309 45.967 59.680 1.00 15.14 N ATOM 901 CA GLN A 57 7.286 44.913 59.920 1.00 65.14 C ATOM 902 C GLN A 57 7.648 44.832 61.400 1.00 61.04 C ATOM 903 O GLN A 57 8.117 43.801 61.879 1.00 3.44 O ATOM 904 CB GLN A 57 8.546 45.157 59.088 1.00 60.34 C ATOM 905 CG GLN A 57 9.346 46.371 59.535 1.00 34.13 C ATOM 906 CD GLN A 57 10.778 46.341 59.040 1.00 14.13 C ATOM 907 OE1 GLN A 57 11.354 45.272 58.835 1.00 14.12 O ATOM 908 NE2 GLN A 57 11.362 47.517 58.846 1.00 70.13 N ATOM 0 H GLN A 57 6.714 46.866 59.419 1.00 15.14 H new ATOM 0 HA GLN A 57 6.840 43.965 59.621 1.00 65.14 H new ATOM 0 HB2 GLN A 57 9.182 44.274 59.140 1.00 60.34 H new ATOM 0 HB3 GLN A 57 8.262 45.284 58.043 1.00 60.34 H new ATOM 0 HG2 GLN A 57 8.859 47.276 59.172 1.00 34.13 H new ATOM 0 HG3 GLN A 57 9.343 46.422 60.624 1.00 34.13 H new ATOM 0 HE21 GLN A 57 10.847 48.378 59.029 1.00 70.13 H new ATOM 0 HE22 GLN A 57 12.326 47.559 58.514 1.00 70.13 H new ATOM 917 N SER A 58 7.428 45.929 62.118 1.00 42.21 N ATOM 918 CA SER A 58 7.735 45.984 63.542 1.00 14.34 C ATOM 919 C SER A 58 6.689 45.225 64.353 1.00 33.32 C ATOM 920 O SER A 58 7.004 44.258 65.047 1.00 55.54 O ATOM 921 CB SER A 58 7.806 47.437 64.014 1.00 55.13 C ATOM 922 OG SER A 58 8.905 47.637 64.887 1.00 45.43 O ATOM 0 H SER A 58 7.038 46.791 61.737 1.00 42.21 H new ATOM 0 HA SER A 58 8.704 45.511 63.698 1.00 14.34 H new ATOM 0 HB2 SER A 58 7.897 48.098 63.152 1.00 55.13 H new ATOM 0 HB3 SER A 58 6.880 47.703 64.524 1.00 55.13 H new ATOM 0 HG SER A 58 8.929 48.574 65.173 1.00 45.43 H new ATOM 928 N THR A 59 5.439 45.669 64.260 1.00 74.24 N ATOM 929 CA THR A 59 4.345 45.035 64.984 1.00 50.13 C ATOM 930 C THR A 59 4.452 43.516 64.919 1.00 53.41 C ATOM 931 O THR A 59 3.972 42.812 65.809 1.00 64.21 O ATOM 932 CB THR A 59 2.977 45.467 64.425 1.00 2.45 C ATOM 933 OG1 THR A 59 2.823 46.885 64.547 1.00 35.32 O ATOM 934 CG2 THR A 59 1.845 44.764 65.162 1.00 51.13 C ATOM 0 H THR A 59 5.159 46.467 63.689 1.00 74.24 H new ATOM 0 HA THR A 59 4.423 45.358 66.022 1.00 50.13 H new ATOM 0 HB THR A 59 2.935 45.187 63.373 1.00 2.45 H new ATOM 0 HG1 THR A 59 1.876 47.120 64.460 1.00 35.32 H new ATOM 0 HG21 THR A 59 0.888 45.085 64.750 1.00 51.13 H new ATOM 0 HG22 THR A 59 1.948 43.685 65.043 1.00 51.13 H new ATOM 0 HG23 THR A 59 1.887 45.018 66.221 1.00 51.13 H new ATOM 942 N ASP A 60 5.082 43.016 63.863 1.00 64.44 N ATOM 943 CA ASP A 60 5.254 41.579 63.684 1.00 35.24 C ATOM 944 C ASP A 60 5.692 40.917 64.986 1.00 41.23 C ATOM 945 O ASP A 60 5.380 39.754 65.238 1.00 40.33 O ATOM 946 CB ASP A 60 6.280 41.299 62.584 1.00 20.21 C ATOM 947 CG ASP A 60 5.745 40.364 61.518 1.00 0.22 C ATOM 948 OD1 ASP A 60 4.723 40.706 60.887 1.00 71.50 O ATOM 949 OD2 ASP A 60 6.347 39.289 61.314 1.00 43.25 O ATOM 0 H ASP A 60 5.483 43.585 63.117 1.00 64.44 H new ATOM 0 HA ASP A 60 4.293 41.158 63.389 1.00 35.24 H new ATOM 0 HB2 ASP A 60 6.578 42.240 62.121 1.00 20.21 H new ATOM 0 HB3 ASP A 60 7.175 40.864 63.028 1.00 20.21 H new ATOM 954 N ALA A 61 6.419 41.666 65.809 1.00 52.53 N ATOM 955 CA ALA A 61 6.900 41.152 67.086 1.00 71.31 C ATOM 956 C ALA A 61 5.737 40.770 67.996 1.00 51.33 C ATOM 957 O ALA A 61 5.790 39.756 68.694 1.00 24.34 O ATOM 958 CB ALA A 61 7.790 42.181 67.768 1.00 24.52 C ATOM 0 H ALA A 61 6.688 42.631 65.614 1.00 52.53 H new ATOM 0 HA ALA A 61 7.486 40.254 66.891 1.00 71.31 H new ATOM 0 HB1 ALA A 61 8.142 41.784 68.720 1.00 24.52 H new ATOM 0 HB2 ALA A 61 8.645 42.403 67.129 1.00 24.52 H new ATOM 0 HB3 ALA A 61 7.222 43.094 67.944 1.00 24.52 H new ATOM 964 N LEU A 62 4.690 41.587 67.986 1.00 40.12 N ATOM 965 CA LEU A 62 3.515 41.334 68.812 1.00 52.51 C ATOM 966 C LEU A 62 2.516 40.444 68.080 1.00 24.02 C ATOM 967 O LEU A 62 1.870 39.589 68.687 1.00 75.21 O ATOM 968 CB LEU A 62 2.848 42.655 69.202 1.00 2.35 C ATOM 969 CG LEU A 62 2.344 42.753 70.642 1.00 40.41 C ATOM 970 CD1 LEU A 62 3.477 42.487 71.623 1.00 33.42 C ATOM 971 CD2 LEU A 62 1.724 44.118 70.899 1.00 74.54 C ATOM 0 H LEU A 62 4.631 42.430 67.415 1.00 40.12 H new ATOM 0 HA LEU A 62 3.840 40.817 69.715 1.00 52.51 H new ATOM 0 HB2 LEU A 62 3.560 43.463 69.032 1.00 2.35 H new ATOM 0 HB3 LEU A 62 2.006 42.826 68.531 1.00 2.35 H new ATOM 0 HG LEU A 62 1.576 41.994 70.790 1.00 40.41 H new ATOM 0 HD11 LEU A 62 3.100 42.561 72.643 1.00 33.42 H new ATOM 0 HD12 LEU A 62 3.876 41.487 71.455 1.00 33.42 H new ATOM 0 HD13 LEU A 62 4.267 43.223 71.474 1.00 33.42 H new ATOM 0 HD21 LEU A 62 1.371 44.169 71.929 1.00 74.54 H new ATOM 0 HD22 LEU A 62 2.471 44.894 70.732 1.00 74.54 H new ATOM 0 HD23 LEU A 62 0.885 44.270 70.220 1.00 74.54 H new ATOM 983 N TYR A 63 2.398 40.647 66.773 1.00 23.32 N ATOM 984 CA TYR A 63 1.478 39.862 65.957 1.00 52.02 C ATOM 985 C TYR A 63 1.846 38.382 65.993 1.00 43.35 C ATOM 986 O TYR A 63 0.980 37.519 66.131 1.00 4.12 O ATOM 987 CB TYR A 63 1.486 40.366 64.514 1.00 71.24 C ATOM 988 CG TYR A 63 1.335 39.266 63.487 1.00 74.34 C ATOM 989 CD1 TYR A 63 2.442 38.567 63.022 1.00 11.45 C ATOM 990 CD2 TYR A 63 0.086 38.929 62.981 1.00 4.51 C ATOM 991 CE1 TYR A 63 2.309 37.561 62.085 1.00 24.31 C ATOM 992 CE2 TYR A 63 -0.057 37.923 62.044 1.00 42.33 C ATOM 993 CZ TYR A 63 1.058 37.244 61.599 1.00 25.05 C ATOM 994 OH TYR A 63 0.920 36.243 60.664 1.00 4.22 O ATOM 0 H TYR A 63 2.928 41.348 66.255 1.00 23.32 H new ATOM 0 HA TYR A 63 0.476 39.979 66.370 1.00 52.02 H new ATOM 0 HB2 TYR A 63 0.677 41.085 64.385 1.00 71.24 H new ATOM 0 HB3 TYR A 63 2.419 40.898 64.329 1.00 71.24 H new ATOM 0 HD1 TYR A 63 3.423 38.814 63.400 1.00 11.45 H new ATOM 0 HD2 TYR A 63 -0.788 39.462 63.325 1.00 4.51 H new ATOM 0 HE1 TYR A 63 3.179 37.026 61.735 1.00 24.31 H new ATOM 0 HE2 TYR A 63 -1.035 37.670 61.663 1.00 42.33 H new ATOM 0 HH TYR A 63 -0.026 36.145 60.427 1.00 4.22 H new ATOM 1004 N SER A 64 3.138 38.097 65.868 1.00 25.20 N ATOM 1005 CA SER A 64 3.623 36.721 65.883 1.00 30.41 C ATOM 1006 C SER A 64 3.804 36.224 67.313 1.00 74.32 C ATOM 1007 O SER A 64 3.575 35.051 67.609 1.00 65.30 O ATOM 1008 CB SER A 64 4.946 36.616 65.122 1.00 73.44 C ATOM 1009 OG SER A 64 4.892 35.592 64.144 1.00 62.13 O ATOM 0 H SER A 64 3.868 38.800 65.755 1.00 25.20 H new ATOM 0 HA SER A 64 2.879 36.094 65.391 1.00 30.41 H new ATOM 0 HB2 SER A 64 5.170 37.569 64.643 1.00 73.44 H new ATOM 0 HB3 SER A 64 5.757 36.412 65.822 1.00 73.44 H new ATOM 0 HG SER A 64 5.749 35.546 63.671 1.00 62.13 H new ATOM 1015 N HIS A 65 4.217 37.126 68.198 1.00 63.23 N ATOM 1016 CA HIS A 65 4.430 36.781 69.599 1.00 3.53 C ATOM 1017 C HIS A 65 3.166 36.180 70.208 1.00 50.23 C ATOM 1018 O HIS A 65 3.204 35.106 70.810 1.00 63.33 O ATOM 1019 CB HIS A 65 4.856 38.017 70.392 1.00 3.53 C ATOM 1020 CG HIS A 65 4.628 37.889 71.868 1.00 60.52 C ATOM 1021 ND1 HIS A 65 3.628 38.563 72.536 1.00 61.23 N ATOM 1022 CD2 HIS A 65 5.278 37.158 72.804 1.00 70.51 C ATOM 1023 CE1 HIS A 65 3.674 38.254 73.820 1.00 64.52 C ATOM 1024 NE2 HIS A 65 4.666 37.403 74.008 1.00 31.01 N ATOM 0 H HIS A 65 4.411 38.101 67.970 1.00 63.23 H new ATOM 0 HA HIS A 65 5.225 36.037 69.648 1.00 3.53 H new ATOM 0 HB2 HIS A 65 5.914 38.208 70.211 1.00 3.53 H new ATOM 0 HB3 HIS A 65 4.308 38.883 70.022 1.00 3.53 H new ATOM 0 HD2 HIS A 65 6.121 36.504 72.635 1.00 70.51 H new ATOM 0 HE1 HIS A 65 3.013 38.633 74.585 1.00 64.52 H new ATOM 0 HE2 HIS A 65 4.934 36.994 74.903 1.00 31.01 H new ATOM 1032 N LEU A 66 2.049 36.882 70.050 1.00 1.43 N ATOM 1033 CA LEU A 66 0.773 36.418 70.585 1.00 21.10 C ATOM 1034 C LEU A 66 0.254 35.221 69.796 1.00 25.13 C ATOM 1035 O LEU A 66 -0.004 34.158 70.360 1.00 62.21 O ATOM 1036 CB LEU A 66 -0.256 37.549 70.553 1.00 40.02 C ATOM 1037 CG LEU A 66 -1.526 37.324 71.374 1.00 13.20 C ATOM 1038 CD1 LEU A 66 -1.417 38.013 72.726 1.00 43.40 C ATOM 1039 CD2 LEU A 66 -2.748 37.824 70.616 1.00 43.35 C ATOM 0 H LEU A 66 2.001 37.773 69.557 1.00 1.43 H new ATOM 0 HA LEU A 66 0.931 36.107 71.618 1.00 21.10 H new ATOM 0 HB2 LEU A 66 0.225 38.461 70.907 1.00 40.02 H new ATOM 0 HB3 LEU A 66 -0.544 37.722 69.516 1.00 40.02 H new ATOM 0 HG LEU A 66 -1.641 36.253 71.543 1.00 13.20 H new ATOM 0 HD11 LEU A 66 -2.330 37.842 73.296 1.00 43.40 H new ATOM 0 HD12 LEU A 66 -0.566 37.608 73.273 1.00 43.40 H new ATOM 0 HD13 LEU A 66 -1.277 39.084 72.578 1.00 43.40 H new ATOM 0 HD21 LEU A 66 -3.642 37.655 71.216 1.00 43.35 H new ATOM 0 HD22 LEU A 66 -2.641 38.890 70.416 1.00 43.35 H new ATOM 0 HD23 LEU A 66 -2.837 37.285 69.673 1.00 43.35 H new ATOM 1051 N GLU A 67 0.106 35.401 68.487 1.00 24.22 N ATOM 1052 CA GLU A 67 -0.381 34.333 67.620 1.00 50.43 C ATOM 1053 C GLU A 67 0.453 33.068 67.795 1.00 24.44 C ATOM 1054 O GLU A 67 -0.062 31.954 67.696 1.00 44.13 O ATOM 1055 CB GLU A 67 -0.351 34.780 66.157 1.00 71.15 C ATOM 1056 CG GLU A 67 -1.065 33.828 65.214 1.00 2.53 C ATOM 1057 CD GLU A 67 -0.771 34.119 63.756 1.00 62.55 C ATOM 1058 OE1 GLU A 67 -1.202 35.184 63.266 1.00 23.22 O ATOM 1059 OE2 GLU A 67 -0.110 33.282 63.104 1.00 75.31 O ATOM 0 H GLU A 67 0.316 36.275 68.004 1.00 24.22 H new ATOM 0 HA GLU A 67 -1.410 34.111 67.903 1.00 50.43 H new ATOM 0 HB2 GLU A 67 -0.808 35.766 66.078 1.00 71.15 H new ATOM 0 HB3 GLU A 67 0.686 34.883 65.839 1.00 71.15 H new ATOM 0 HG2 GLU A 67 -0.767 32.805 65.443 1.00 2.53 H new ATOM 0 HG3 GLU A 67 -2.140 33.893 65.384 1.00 2.53 H new ATOM 1066 N ALA A 68 1.744 33.248 68.053 1.00 63.45 N ATOM 1067 CA ALA A 68 2.650 32.122 68.242 1.00 31.23 C ATOM 1068 C ALA A 68 2.591 31.605 69.675 1.00 3.42 C ATOM 1069 O ALA A 68 2.245 30.448 69.913 1.00 21.10 O ATOM 1070 CB ALA A 68 4.073 32.522 67.882 1.00 31.30 C ATOM 0 H ALA A 68 2.186 34.163 68.136 1.00 63.45 H new ATOM 0 HA ALA A 68 2.332 31.317 67.579 1.00 31.23 H new ATOM 0 HB1 ALA A 68 4.738 31.671 68.028 1.00 31.30 H new ATOM 0 HB2 ALA A 68 4.110 32.836 66.839 1.00 31.30 H new ATOM 0 HB3 ALA A 68 4.392 33.346 68.521 1.00 31.30 H new ATOM 1076 N GLN A 69 2.933 32.469 70.626 1.00 43.40 N ATOM 1077 CA GLN A 69 2.920 32.097 72.036 1.00 71.34 C ATOM 1078 C GLN A 69 1.514 31.710 72.483 1.00 43.43 C ATOM 1079 O GLN A 69 1.295 30.608 72.987 1.00 52.04 O ATOM 1080 CB GLN A 69 3.441 33.251 72.894 1.00 34.42 C ATOM 1081 CG GLN A 69 4.142 32.797 74.164 1.00 63.51 C ATOM 1082 CD GLN A 69 3.225 32.027 75.093 1.00 12.31 C ATOM 1083 OE1 GLN A 69 2.834 30.896 74.802 1.00 23.31 O ATOM 1084 NE2 GLN A 69 2.875 32.636 76.220 1.00 41.34 N ATOM 0 H GLN A 69 3.222 33.430 70.446 1.00 43.40 H new ATOM 0 HA GLN A 69 3.573 31.234 72.165 1.00 71.34 H new ATOM 0 HB2 GLN A 69 4.133 33.850 72.301 1.00 34.42 H new ATOM 0 HB3 GLN A 69 2.607 33.899 73.161 1.00 34.42 H new ATOM 0 HG2 GLN A 69 4.994 32.171 73.900 1.00 63.51 H new ATOM 0 HG3 GLN A 69 4.536 33.668 74.688 1.00 63.51 H new ATOM 0 HE21 GLN A 69 3.222 33.574 76.422 1.00 41.34 H new ATOM 0 HE22 GLN A 69 2.259 32.166 76.884 1.00 41.34 H new ATOM 1093 N TRP A 70 0.567 32.622 72.297 1.00 30.33 N ATOM 1094 CA TRP A 70 -0.818 32.374 72.683 1.00 31.40 C ATOM 1095 C TRP A 70 -1.285 31.009 72.191 1.00 60.51 C ATOM 1096 O TRP A 70 -2.107 30.355 72.833 1.00 74.33 O ATOM 1097 CB TRP A 70 -1.727 33.470 72.123 1.00 40.30 C ATOM 1098 CG TRP A 70 -3.056 33.548 72.813 1.00 41.14 C ATOM 1099 CD1 TRP A 70 -4.258 33.118 72.328 1.00 21.21 C ATOM 1100 CD2 TRP A 70 -3.317 34.091 74.111 1.00 40.25 C ATOM 1101 NE1 TRP A 70 -5.250 33.361 73.247 1.00 25.12 N ATOM 1102 CE2 TRP A 70 -4.698 33.956 74.350 1.00 33.24 C ATOM 1103 CE3 TRP A 70 -2.518 34.676 75.097 1.00 74.01 C ATOM 1104 CZ2 TRP A 70 -5.295 34.386 75.532 1.00 33.52 C ATOM 1105 CZ3 TRP A 70 -3.112 35.103 76.270 1.00 62.11 C ATOM 1106 CH2 TRP A 70 -4.489 34.955 76.480 1.00 32.00 C ATOM 0 H TRP A 70 0.732 33.539 71.882 1.00 30.33 H new ATOM 0 HA TRP A 70 -0.874 32.385 73.772 1.00 31.40 H new ATOM 0 HB2 TRP A 70 -1.222 34.432 72.212 1.00 40.30 H new ATOM 0 HB3 TRP A 70 -1.887 33.291 71.060 1.00 40.30 H new ATOM 0 HD1 TRP A 70 -4.407 32.655 71.364 1.00 21.21 H new ATOM 0 HE1 TRP A 70 -6.237 33.135 73.127 1.00 25.12 H new ATOM 0 HE3 TRP A 70 -1.455 34.792 74.945 1.00 74.01 H new ATOM 0 HZ2 TRP A 70 -6.357 34.274 75.695 1.00 33.52 H new ATOM 0 HZ3 TRP A 70 -2.504 35.558 77.038 1.00 62.11 H new ATOM 0 HH2 TRP A 70 -4.923 35.297 77.408 1.00 32.00 H new ATOM 1117 N ALA A 71 -0.754 30.583 71.048 1.00 14.43 N ATOM 1118 CA ALA A 71 -1.116 29.294 70.473 1.00 61.50 C ATOM 1119 C ALA A 71 -0.834 28.158 71.450 1.00 70.22 C ATOM 1120 O ALA A 71 -1.602 27.200 71.545 1.00 24.51 O ATOM 1121 CB ALA A 71 -0.366 29.070 69.168 1.00 4.32 C ATOM 0 H ALA A 71 -0.073 31.112 70.504 1.00 14.43 H new ATOM 0 HA ALA A 71 -2.186 29.303 70.267 1.00 61.50 H new ATOM 0 HB1 ALA A 71 -0.646 28.103 68.749 1.00 4.32 H new ATOM 0 HB2 ALA A 71 -0.622 29.860 68.461 1.00 4.32 H new ATOM 0 HB3 ALA A 71 0.707 29.086 69.358 1.00 4.32 H new ATOM 1127 N LYS A 72 0.273 28.270 72.176 1.00 4.40 N ATOM 1128 CA LYS A 72 0.659 27.252 73.147 1.00 34.42 C ATOM 1129 C LYS A 72 -0.521 26.879 74.040 1.00 62.30 C ATOM 1130 O LYS A 72 -0.533 25.811 74.652 1.00 61.13 O ATOM 1131 CB LYS A 72 1.824 27.751 74.004 1.00 21.04 C ATOM 1132 CG LYS A 72 3.002 26.793 74.045 1.00 0.05 C ATOM 1133 CD LYS A 72 3.892 26.952 72.823 1.00 4.41 C ATOM 1134 CE LYS A 72 4.714 28.230 72.896 1.00 60.30 C ATOM 1135 NZ LYS A 72 5.946 28.144 72.063 1.00 71.21 N ATOM 0 H LYS A 72 0.920 29.056 72.111 1.00 4.40 H new ATOM 0 HA LYS A 72 0.974 26.363 72.600 1.00 34.42 H new ATOM 0 HB2 LYS A 72 2.162 28.713 73.619 1.00 21.04 H new ATOM 0 HB3 LYS A 72 1.469 27.922 75.021 1.00 21.04 H new ATOM 0 HG2 LYS A 72 3.586 26.972 74.948 1.00 0.05 H new ATOM 0 HG3 LYS A 72 2.637 25.767 74.099 1.00 0.05 H new ATOM 0 HD2 LYS A 72 4.559 26.093 72.743 1.00 4.41 H new ATOM 0 HD3 LYS A 72 3.277 26.964 71.923 1.00 4.41 H new ATOM 0 HE2 LYS A 72 4.107 29.072 72.562 1.00 60.30 H new ATOM 0 HE3 LYS A 72 4.989 28.427 73.932 1.00 60.30 H new ATOM 0 HZ1 LYS A 72 6.479 29.034 72.139 1.00 71.21 H new ATOM 0 HZ2 LYS A 72 6.537 27.356 72.398 1.00 71.21 H new ATOM 0 HZ3 LYS A 72 5.683 27.982 71.070 1.00 71.21 H new ATOM 1149 N GLN A 73 -1.509 27.766 74.109 1.00 1.23 N ATOM 1150 CA GLN A 73 -2.692 27.528 74.926 1.00 54.22 C ATOM 1151 C GLN A 73 -3.684 26.626 74.200 1.00 11.30 C ATOM 1152 O GLN A 73 -4.017 25.541 74.676 1.00 12.23 O ATOM 1153 CB GLN A 73 -3.361 28.855 75.291 1.00 23.34 C ATOM 1154 CG GLN A 73 -3.238 29.215 76.762 1.00 64.51 C ATOM 1155 CD GLN A 73 -4.365 28.644 77.599 1.00 55.04 C ATOM 1156 OE1 GLN A 73 -5.503 28.542 77.143 1.00 23.32 O ATOM 1157 NE2 GLN A 73 -4.053 28.269 78.834 1.00 10.43 N ATOM 0 H GLN A 73 -1.513 28.655 73.609 1.00 1.23 H new ATOM 0 HA GLN A 73 -2.376 27.025 75.840 1.00 54.22 H new ATOM 0 HB2 GLN A 73 -2.919 29.652 74.693 1.00 23.34 H new ATOM 0 HB3 GLN A 73 -4.417 28.805 75.025 1.00 23.34 H new ATOM 0 HG2 GLN A 73 -2.285 28.848 77.143 1.00 64.51 H new ATOM 0 HG3 GLN A 73 -3.226 30.300 76.867 1.00 64.51 H new ATOM 0 HE21 GLN A 73 -3.096 28.371 79.172 1.00 10.43 H new ATOM 0 HE22 GLN A 73 -4.770 27.879 79.445 1.00 10.43 H new ATOM 1166 N HIS A 74 -4.155 27.083 73.044 1.00 44.12 N ATOM 1167 CA HIS A 74 -5.109 26.317 72.251 1.00 33.33 C ATOM 1168 C HIS A 74 -4.668 26.243 70.792 1.00 3.40 C ATOM 1169 O HIS A 74 -4.565 25.159 70.219 1.00 30.43 O ATOM 1170 CB HIS A 74 -6.500 26.945 72.342 1.00 50.20 C ATOM 1171 CG HIS A 74 -6.967 27.167 73.748 1.00 44.52 C ATOM 1172 ND1 HIS A 74 -7.240 26.135 74.622 1.00 5.31 N ATOM 1173 CD2 HIS A 74 -7.204 28.310 74.433 1.00 31.04 C ATOM 1174 CE1 HIS A 74 -7.628 26.634 75.781 1.00 2.30 C ATOM 1175 NE2 HIS A 74 -7.615 27.951 75.694 1.00 62.24 N ATOM 0 H HIS A 74 -3.891 27.980 72.636 1.00 44.12 H new ATOM 0 HA HIS A 74 -5.147 25.305 72.653 1.00 33.33 H new ATOM 0 HB2 HIS A 74 -6.494 27.899 71.815 1.00 50.20 H new ATOM 0 HB3 HIS A 74 -7.214 26.302 71.828 1.00 50.20 H new ATOM 0 HD2 HIS A 74 -7.091 29.317 74.058 1.00 31.04 H new ATOM 0 HE1 HIS A 74 -7.909 26.062 76.653 1.00 2.30 H new ATOM 0 HE2 HIS A 74 -7.869 28.597 76.441 1.00 62.24 H new ATOM 1183 N GLY A 75 -4.407 27.403 70.196 1.00 13.34 N ATOM 1184 CA GLY A 75 -3.981 27.446 68.810 1.00 54.54 C ATOM 1185 C GLY A 75 -5.149 27.454 67.844 1.00 43.51 C ATOM 1186 O GLY A 75 -4.963 27.344 66.632 1.00 65.15 O ATOM 0 H GLY A 75 -4.483 28.314 70.649 1.00 13.34 H new ATOM 0 HA2 GLY A 75 -3.373 28.336 68.648 1.00 54.54 H new ATOM 0 HA3 GLY A 75 -3.347 26.584 68.601 1.00 54.54 H new ATOM 1190 N THR A 76 -6.358 27.581 68.381 1.00 54.21 N ATOM 1191 CA THR A 76 -7.561 27.599 67.560 1.00 22.53 C ATOM 1192 C THR A 76 -8.008 29.028 67.269 1.00 44.43 C ATOM 1193 O THR A 76 -8.111 29.450 66.117 1.00 50.11 O ATOM 1194 CB THR A 76 -8.717 26.840 68.237 1.00 52.15 C ATOM 1195 OG1 THR A 76 -9.838 27.713 68.418 1.00 40.43 O ATOM 1196 CG2 THR A 76 -8.281 26.282 69.584 1.00 25.34 C ATOM 0 H THR A 76 -6.530 27.673 69.382 1.00 54.21 H new ATOM 0 HA THR A 76 -7.310 27.101 66.623 1.00 22.53 H new ATOM 0 HB THR A 76 -9.004 26.010 67.592 1.00 52.15 H new ATOM 0 HG1 THR A 76 -10.325 27.456 69.228 1.00 40.43 H new ATOM 0 HG21 THR A 76 -9.114 25.750 70.044 1.00 25.34 H new ATOM 0 HG22 THR A 76 -7.446 25.596 69.441 1.00 25.34 H new ATOM 0 HG23 THR A 76 -7.970 27.100 70.233 1.00 25.34 H new ATOM 1204 N PRO A 77 -8.280 29.792 68.337 1.00 51.45 N ATOM 1205 CA PRO A 77 -8.718 31.186 68.223 1.00 25.31 C ATOM 1206 C PRO A 77 -7.607 32.104 67.726 1.00 72.31 C ATOM 1207 O PRO A 77 -7.855 33.142 67.111 1.00 51.04 O ATOM 1208 CB PRO A 77 -9.114 31.553 69.655 1.00 70.10 C ATOM 1209 CG PRO A 77 -8.315 30.636 70.515 1.00 64.11 C ATOM 1210 CD PRO A 77 -8.178 29.354 69.740 1.00 34.21 C ATOM 0 HA PRO A 77 -9.526 31.301 67.500 1.00 25.31 H new ATOM 0 HB2 PRO A 77 -8.889 32.597 69.873 1.00 70.10 H new ATOM 0 HB3 PRO A 77 -10.183 31.417 69.817 1.00 70.10 H new ATOM 0 HG2 PRO A 77 -7.337 31.063 70.738 1.00 64.11 H new ATOM 0 HG3 PRO A 77 -8.813 30.464 71.469 1.00 64.11 H new ATOM 0 HD2 PRO A 77 -7.225 28.863 69.940 1.00 34.21 H new ATOM 0 HD3 PRO A 77 -8.963 28.643 69.997 1.00 34.21 H new ATOM 1218 N PRO A 78 -6.352 31.716 67.996 1.00 21.21 N ATOM 1219 CA PRO A 78 -5.177 32.490 67.583 1.00 53.32 C ATOM 1220 C PRO A 78 -4.965 32.463 66.073 1.00 12.34 C ATOM 1221 O PRO A 78 -4.484 31.473 65.521 1.00 74.34 O ATOM 1222 CB PRO A 78 -4.020 31.788 68.299 1.00 33.44 C ATOM 1223 CG PRO A 78 -4.497 30.393 68.510 1.00 1.21 C ATOM 1224 CD PRO A 78 -5.982 30.490 68.723 1.00 14.11 C ATOM 0 HA PRO A 78 -5.275 33.546 67.836 1.00 53.32 H new ATOM 0 HB2 PRO A 78 -3.111 31.809 67.698 1.00 33.44 H new ATOM 0 HB3 PRO A 78 -3.787 32.274 69.246 1.00 33.44 H new ATOM 0 HG2 PRO A 78 -4.267 29.767 67.648 1.00 1.21 H new ATOM 0 HG3 PRO A 78 -4.008 29.940 69.372 1.00 1.21 H new ATOM 0 HD2 PRO A 78 -6.502 29.617 68.329 1.00 14.11 H new ATOM 0 HD3 PRO A 78 -6.232 30.560 69.782 1.00 14.11 H new ATOM 1232 N THR A 79 -5.328 33.556 65.409 1.00 13.55 N ATOM 1233 CA THR A 79 -5.179 33.657 63.963 1.00 41.43 C ATOM 1234 C THR A 79 -4.645 35.027 63.560 1.00 24.24 C ATOM 1235 O THR A 79 -4.759 35.994 64.312 1.00 32.44 O ATOM 1236 CB THR A 79 -6.516 33.406 63.241 1.00 64.23 C ATOM 1237 OG1 THR A 79 -7.315 32.487 63.994 1.00 42.32 O ATOM 1238 CG2 THR A 79 -6.281 32.854 61.843 1.00 42.45 C ATOM 0 H THR A 79 -5.728 34.384 65.850 1.00 13.55 H new ATOM 0 HA THR A 79 -4.465 32.890 63.664 1.00 41.43 H new ATOM 0 HB THR A 79 -7.041 34.357 63.155 1.00 64.23 H new ATOM 0 HG1 THR A 79 -7.986 32.982 64.508 1.00 42.32 H new ATOM 0 HG21 THR A 79 -7.240 32.685 61.353 1.00 42.45 H new ATOM 0 HG22 THR A 79 -5.698 33.569 61.263 1.00 42.45 H new ATOM 0 HG23 THR A 79 -5.737 31.912 61.910 1.00 42.45 H new ATOM 1246 N ALA A 80 -4.062 35.102 62.368 1.00 32.34 N ATOM 1247 CA ALA A 80 -3.513 36.355 61.863 1.00 11.05 C ATOM 1248 C ALA A 80 -4.552 37.471 61.918 1.00 3.44 C ATOM 1249 O ALA A 80 -4.212 38.640 62.088 1.00 52.42 O ATOM 1250 CB ALA A 80 -3.006 36.174 60.440 1.00 1.42 C ATOM 0 H ALA A 80 -3.958 34.310 61.734 1.00 32.34 H new ATOM 0 HA ALA A 80 -2.677 36.640 62.501 1.00 11.05 H new ATOM 0 HB1 ALA A 80 -2.599 37.117 60.076 1.00 1.42 H new ATOM 0 HB2 ALA A 80 -2.226 35.413 60.426 1.00 1.42 H new ATOM 0 HB3 ALA A 80 -3.829 35.862 59.797 1.00 1.42 H new ATOM 1256 N SER A 81 -5.821 37.099 61.771 1.00 44.14 N ATOM 1257 CA SER A 81 -6.909 38.070 61.799 1.00 50.43 C ATOM 1258 C SER A 81 -7.247 38.465 63.234 1.00 22.14 C ATOM 1259 O SER A 81 -7.274 39.648 63.573 1.00 43.01 O ATOM 1260 CB SER A 81 -8.149 37.498 61.109 1.00 43.13 C ATOM 1261 OG SER A 81 -8.005 37.523 59.700 1.00 73.50 O ATOM 0 H SER A 81 -6.120 36.134 61.632 1.00 44.14 H new ATOM 0 HA SER A 81 -6.583 38.961 61.263 1.00 50.43 H new ATOM 0 HB2 SER A 81 -8.315 36.474 61.443 1.00 43.13 H new ATOM 0 HB3 SER A 81 -9.028 38.074 61.398 1.00 43.13 H new ATOM 0 HG SER A 81 -8.810 37.151 59.282 1.00 73.50 H new ATOM 1267 N ASP A 82 -7.506 37.466 64.070 1.00 2.31 N ATOM 1268 CA ASP A 82 -7.842 37.707 65.468 1.00 53.22 C ATOM 1269 C ASP A 82 -6.695 38.407 66.190 1.00 61.22 C ATOM 1270 O ASP A 82 -6.867 39.493 66.742 1.00 53.54 O ATOM 1271 CB ASP A 82 -8.174 36.388 66.169 1.00 54.55 C ATOM 1272 CG ASP A 82 -9.162 35.548 65.385 1.00 13.21 C ATOM 1273 OD1 ASP A 82 -10.257 36.059 65.069 1.00 64.14 O ATOM 1274 OD2 ASP A 82 -8.840 34.380 65.086 1.00 2.54 O ATOM 0 H ASP A 82 -7.490 36.481 63.804 1.00 2.31 H new ATOM 0 HA ASP A 82 -8.717 38.357 65.499 1.00 53.22 H new ATOM 0 HB2 ASP A 82 -7.257 35.819 66.319 1.00 54.55 H new ATOM 0 HB3 ASP A 82 -8.584 36.598 67.157 1.00 54.55 H new ATOM 1279 N VAL A 83 -5.524 37.777 66.182 1.00 13.54 N ATOM 1280 CA VAL A 83 -4.350 38.339 66.836 1.00 44.04 C ATOM 1281 C VAL A 83 -4.260 39.843 66.608 1.00 24.42 C ATOM 1282 O VAL A 83 -3.834 40.592 67.487 1.00 44.54 O ATOM 1283 CB VAL A 83 -3.054 37.676 66.329 1.00 50.10 C ATOM 1284 CG1 VAL A 83 -1.854 38.177 67.117 1.00 52.52 C ATOM 1285 CG2 VAL A 83 -3.163 36.160 66.414 1.00 73.10 C ATOM 0 H VAL A 83 -5.364 36.877 65.729 1.00 13.54 H new ATOM 0 HA VAL A 83 -4.458 38.142 67.903 1.00 44.04 H new ATOM 0 HB VAL A 83 -2.911 37.950 65.284 1.00 50.10 H new ATOM 0 HG11 VAL A 83 -0.948 37.698 66.745 1.00 52.52 H new ATOM 0 HG12 VAL A 83 -1.767 39.257 67.000 1.00 52.52 H new ATOM 0 HG13 VAL A 83 -1.985 37.936 68.172 1.00 52.52 H new ATOM 0 HG21 VAL A 83 -2.240 35.708 66.052 1.00 73.10 H new ATOM 0 HG22 VAL A 83 -3.330 35.865 67.450 1.00 73.10 H new ATOM 0 HG23 VAL A 83 -3.998 35.820 65.801 1.00 73.10 H new ATOM 1295 N VAL A 84 -4.665 40.281 65.419 1.00 61.32 N ATOM 1296 CA VAL A 84 -4.633 41.697 65.074 1.00 70.12 C ATOM 1297 C VAL A 84 -5.271 42.544 66.169 1.00 13.24 C ATOM 1298 O VAL A 84 -4.733 43.578 66.562 1.00 60.55 O ATOM 1299 CB VAL A 84 -5.358 41.967 63.743 1.00 24.41 C ATOM 1300 CG1 VAL A 84 -5.355 43.455 63.425 1.00 64.52 C ATOM 1301 CG2 VAL A 84 -4.717 41.171 62.616 1.00 70.20 C ATOM 0 H VAL A 84 -5.019 39.675 64.679 1.00 61.32 H new ATOM 0 HA VAL A 84 -3.584 41.974 64.970 1.00 70.12 H new ATOM 0 HB VAL A 84 -6.394 41.643 63.842 1.00 24.41 H new ATOM 0 HG11 VAL A 84 -5.872 43.626 62.481 1.00 64.52 H new ATOM 0 HG12 VAL A 84 -5.864 43.998 64.221 1.00 64.52 H new ATOM 0 HG13 VAL A 84 -4.327 43.808 63.345 1.00 64.52 H new ATOM 0 HG21 VAL A 84 -5.242 41.374 61.683 1.00 70.20 H new ATOM 0 HG22 VAL A 84 -3.671 41.461 62.515 1.00 70.20 H new ATOM 0 HG23 VAL A 84 -4.778 40.106 62.842 1.00 70.20 H new ATOM 1311 N GLY A 85 -6.423 42.097 66.659 1.00 54.22 N ATOM 1312 CA GLY A 85 -7.116 42.825 67.706 1.00 35.55 C ATOM 1313 C GLY A 85 -7.587 41.921 68.828 1.00 74.22 C ATOM 1314 O GLY A 85 -8.413 42.319 69.649 1.00 21.21 O ATOM 0 H GLY A 85 -6.889 41.244 66.350 1.00 54.22 H new ATOM 0 HA2 GLY A 85 -6.453 43.588 68.113 1.00 35.55 H new ATOM 0 HA3 GLY A 85 -7.974 43.343 67.277 1.00 35.55 H new ATOM 1318 N MET A 86 -7.060 40.702 68.863 1.00 54.52 N ATOM 1319 CA MET A 86 -7.431 39.739 69.894 1.00 35.44 C ATOM 1320 C MET A 86 -6.801 40.106 71.234 1.00 24.20 C ATOM 1321 O MET A 86 -7.461 40.123 72.273 1.00 51.13 O ATOM 1322 CB MET A 86 -7.002 38.330 69.484 1.00 22.31 C ATOM 1323 CG MET A 86 -6.858 37.372 70.656 1.00 61.32 C ATOM 1324 SD MET A 86 -7.228 35.665 70.209 1.00 40.14 S ATOM 1325 CE MET A 86 -5.633 34.894 70.470 1.00 5.32 C ATOM 0 H MET A 86 -6.375 40.357 68.190 1.00 54.52 H new ATOM 0 HA MET A 86 -8.515 39.763 70.004 1.00 35.44 H new ATOM 0 HB2 MET A 86 -7.733 37.926 68.783 1.00 22.31 H new ATOM 0 HB3 MET A 86 -6.051 38.388 68.954 1.00 22.31 H new ATOM 0 HG2 MET A 86 -5.841 37.429 71.044 1.00 61.32 H new ATOM 0 HG3 MET A 86 -7.524 37.685 71.460 1.00 61.32 H new ATOM 0 HE1 MET A 86 -5.762 33.816 70.568 1.00 5.32 H new ATOM 0 HE2 MET A 86 -4.983 35.106 69.621 1.00 5.32 H new ATOM 0 HE3 MET A 86 -5.182 35.290 71.380 1.00 5.32 H new ATOM 1335 N PRO A 87 -5.494 40.406 71.211 1.00 11.43 N ATOM 1336 CA PRO A 87 -4.747 40.778 72.415 1.00 50.24 C ATOM 1337 C PRO A 87 -5.152 42.148 72.949 1.00 54.53 C ATOM 1338 O PRO A 87 -6.165 42.710 72.534 1.00 51.52 O ATOM 1339 CB PRO A 87 -3.292 40.800 71.938 1.00 4.35 C ATOM 1340 CG PRO A 87 -3.378 41.065 70.475 1.00 70.55 C ATOM 1341 CD PRO A 87 -4.645 40.406 70.007 1.00 11.00 C ATOM 0 HA PRO A 87 -4.930 40.086 73.237 1.00 50.24 H new ATOM 0 HB2 PRO A 87 -2.720 41.575 72.448 1.00 4.35 H new ATOM 0 HB3 PRO A 87 -2.795 39.851 72.140 1.00 4.35 H new ATOM 0 HG2 PRO A 87 -3.398 42.136 70.273 1.00 70.55 H new ATOM 0 HG3 PRO A 87 -2.511 40.659 69.953 1.00 70.55 H new ATOM 0 HD2 PRO A 87 -5.107 40.959 69.189 1.00 11.00 H new ATOM 0 HD3 PRO A 87 -4.462 39.395 69.644 1.00 11.00 H new ATOM 1349 N GLN A 88 -4.354 42.679 73.870 1.00 3.31 N ATOM 1350 CA GLN A 88 -4.632 43.983 74.461 1.00 65.24 C ATOM 1351 C GLN A 88 -4.325 45.103 73.473 1.00 71.43 C ATOM 1352 O GLN A 88 -5.162 45.971 73.224 1.00 42.10 O ATOM 1353 CB GLN A 88 -3.810 44.173 75.737 1.00 72.54 C ATOM 1354 CG GLN A 88 -2.312 44.024 75.525 1.00 10.33 C ATOM 1355 CD GLN A 88 -1.587 43.578 76.780 1.00 62.02 C ATOM 1356 OE1 GLN A 88 -0.901 44.370 77.428 1.00 1.21 O ATOM 1357 NE2 GLN A 88 -1.735 42.306 77.129 1.00 44.43 N ATOM 0 H GLN A 88 -3.511 42.227 74.223 1.00 3.31 H new ATOM 0 HA GLN A 88 -5.692 44.023 74.711 1.00 65.24 H new ATOM 0 HB2 GLN A 88 -4.014 45.163 76.146 1.00 72.54 H new ATOM 0 HB3 GLN A 88 -4.137 43.447 76.481 1.00 72.54 H new ATOM 0 HG2 GLN A 88 -2.132 43.301 74.729 1.00 10.33 H new ATOM 0 HG3 GLN A 88 -1.900 44.976 75.190 1.00 10.33 H new ATOM 0 HE21 GLN A 88 -2.313 41.686 76.562 1.00 44.43 H new ATOM 0 HE22 GLN A 88 -1.271 41.949 77.964 1.00 44.43 H new ATOM 1366 N TRP A 89 -3.120 45.079 72.914 1.00 74.34 N ATOM 1367 CA TRP A 89 -2.704 46.094 71.952 1.00 53.24 C ATOM 1368 C TRP A 89 -3.832 46.419 70.980 1.00 44.44 C ATOM 1369 O TRP A 89 -3.837 47.479 70.354 1.00 0.10 O ATOM 1370 CB TRP A 89 -1.469 45.621 71.182 1.00 55.52 C ATOM 1371 CG TRP A 89 -1.803 44.853 69.940 1.00 32.22 C ATOM 1372 CD1 TRP A 89 -2.570 45.282 68.893 1.00 44.44 C ATOM 1373 CD2 TRP A 89 -1.384 43.524 69.615 1.00 62.22 C ATOM 1374 NE1 TRP A 89 -2.651 44.298 67.937 1.00 74.22 N ATOM 1375 CE2 TRP A 89 -1.931 43.210 68.355 1.00 34.02 C ATOM 1376 CE3 TRP A 89 -0.597 42.568 70.263 1.00 31.11 C ATOM 1377 CZ2 TRP A 89 -1.718 41.982 67.736 1.00 45.02 C ATOM 1378 CZ3 TRP A 89 -0.386 41.350 69.647 1.00 4.44 C ATOM 1379 CH2 TRP A 89 -0.943 41.065 68.394 1.00 30.55 C ATOM 0 H TRP A 89 -2.415 44.369 73.110 1.00 74.34 H new ATOM 0 HA TRP A 89 -2.454 47.000 72.503 1.00 53.24 H new ATOM 0 HB2 TRP A 89 -0.863 46.487 70.914 1.00 55.52 H new ATOM 0 HB3 TRP A 89 -0.860 44.996 71.835 1.00 55.52 H new ATOM 0 HD1 TRP A 89 -3.042 46.251 68.827 1.00 44.44 H new ATOM 0 HE1 TRP A 89 -3.164 44.367 67.058 1.00 74.22 H new ATOM 0 HE3 TRP A 89 -0.161 42.778 71.229 1.00 31.11 H new ATOM 0 HZ2 TRP A 89 -2.149 41.760 66.771 1.00 45.02 H new ATOM 0 HZ3 TRP A 89 0.219 40.604 70.140 1.00 4.44 H new ATOM 0 HH2 TRP A 89 -0.758 40.104 67.938 1.00 30.55 H new ATOM 1390 N GLN A 90 -4.785 45.500 70.858 1.00 71.40 N ATOM 1391 CA GLN A 90 -5.917 45.691 69.960 1.00 12.51 C ATOM 1392 C GLN A 90 -6.423 47.128 70.019 1.00 20.42 C ATOM 1393 O GLN A 90 -6.435 47.833 69.010 1.00 40.10 O ATOM 1394 CB GLN A 90 -7.048 44.725 70.319 1.00 51.31 C ATOM 1395 CG GLN A 90 -8.371 45.060 69.650 1.00 50.22 C ATOM 1396 CD GLN A 90 -9.561 44.467 70.379 1.00 60.21 C ATOM 1397 OE1 GLN A 90 -9.514 44.244 71.589 1.00 71.32 O ATOM 1398 NE2 GLN A 90 -10.636 44.208 69.644 1.00 50.01 N ATOM 0 H GLN A 90 -4.795 44.617 71.369 1.00 71.40 H new ATOM 0 HA GLN A 90 -5.581 45.485 68.944 1.00 12.51 H new ATOM 0 HB2 GLN A 90 -6.754 43.714 70.037 1.00 51.31 H new ATOM 0 HB3 GLN A 90 -7.187 44.727 71.400 1.00 51.31 H new ATOM 0 HG2 GLN A 90 -8.484 46.143 69.599 1.00 50.22 H new ATOM 0 HG3 GLN A 90 -8.358 44.692 68.624 1.00 50.22 H new ATOM 0 HE21 GLN A 90 -10.631 44.409 68.644 1.00 50.01 H new ATOM 0 HE22 GLN A 90 -11.467 43.808 70.079 1.00 50.01 H new ATOM 1407 N GLU A 91 -6.841 47.556 71.206 1.00 11.32 N ATOM 1408 CA GLU A 91 -7.349 48.909 71.395 1.00 31.12 C ATOM 1409 C GLU A 91 -6.204 49.896 71.607 1.00 41.12 C ATOM 1410 O GLU A 91 -6.283 51.052 71.193 1.00 72.24 O ATOM 1411 CB GLU A 91 -8.305 48.957 72.588 1.00 13.41 C ATOM 1412 CG GLU A 91 -9.627 49.641 72.282 1.00 12.14 C ATOM 1413 CD GLU A 91 -10.631 49.502 73.411 1.00 63.34 C ATOM 1414 OE1 GLU A 91 -10.424 50.132 74.469 1.00 24.11 O ATOM 1415 OE2 GLU A 91 -11.623 48.765 73.235 1.00 34.54 O ATOM 0 H GLU A 91 -6.838 46.985 72.051 1.00 11.32 H new ATOM 0 HA GLU A 91 -7.890 49.195 70.493 1.00 31.12 H new ATOM 0 HB2 GLU A 91 -8.502 47.940 72.926 1.00 13.41 H new ATOM 0 HB3 GLU A 91 -7.818 49.478 73.412 1.00 13.41 H new ATOM 0 HG2 GLU A 91 -9.448 50.699 72.088 1.00 12.14 H new ATOM 0 HG3 GLU A 91 -10.049 49.217 71.371 1.00 12.14 H new ATOM 1422 N TYR A 92 -5.142 49.429 72.255 1.00 33.21 N ATOM 1423 CA TYR A 92 -3.982 50.271 72.525 1.00 64.10 C ATOM 1424 C TYR A 92 -3.479 50.933 71.245 1.00 34.11 C ATOM 1425 O TYR A 92 -3.496 52.158 71.118 1.00 20.41 O ATOM 1426 CB TYR A 92 -2.862 49.442 73.157 1.00 71.22 C ATOM 1427 CG TYR A 92 -2.240 50.093 74.372 1.00 72.41 C ATOM 1428 CD1 TYR A 92 -1.199 51.003 74.240 1.00 74.33 C ATOM 1429 CD2 TYR A 92 -2.694 49.797 75.651 1.00 62.24 C ATOM 1430 CE1 TYR A 92 -0.627 51.600 75.347 1.00 62.33 C ATOM 1431 CE2 TYR A 92 -2.129 50.390 76.764 1.00 61.25 C ATOM 1432 CZ TYR A 92 -1.096 51.290 76.607 1.00 22.51 C ATOM 1433 OH TYR A 92 -0.530 51.883 77.712 1.00 42.20 O ATOM 0 H TYR A 92 -5.060 48.474 72.603 1.00 33.21 H new ATOM 0 HA TYR A 92 -4.286 51.053 73.221 1.00 64.10 H new ATOM 0 HB2 TYR A 92 -3.258 48.467 73.440 1.00 71.22 H new ATOM 0 HB3 TYR A 92 -2.086 49.266 72.412 1.00 71.22 H new ATOM 0 HD1 TYR A 92 -0.830 51.248 73.255 1.00 74.33 H new ATOM 0 HD2 TYR A 92 -3.502 49.092 75.778 1.00 62.24 H new ATOM 0 HE1 TYR A 92 0.182 52.305 75.227 1.00 62.33 H new ATOM 0 HE2 TYR A 92 -2.494 50.150 77.752 1.00 61.25 H new ATOM 0 HH TYR A 92 -0.976 51.558 78.522 1.00 42.20 H new ATOM 1443 N THR A 93 -3.033 50.114 70.298 1.00 35.42 N ATOM 1444 CA THR A 93 -2.525 50.619 69.029 1.00 32.34 C ATOM 1445 C THR A 93 -3.613 51.359 68.258 1.00 64.32 C ATOM 1446 O THR A 93 -3.373 52.434 67.707 1.00 12.42 O ATOM 1447 CB THR A 93 -1.976 49.479 68.151 1.00 3.43 C ATOM 1448 OG1 THR A 93 -2.991 48.493 67.933 1.00 15.22 O ATOM 1449 CG2 THR A 93 -0.765 48.830 68.803 1.00 43.41 C ATOM 0 H THR A 93 -3.013 49.098 70.386 1.00 35.42 H new ATOM 0 HA THR A 93 -1.715 51.310 69.264 1.00 32.34 H new ATOM 0 HB THR A 93 -1.672 49.903 67.194 1.00 3.43 H new ATOM 0 HG1 THR A 93 -3.322 48.168 68.796 1.00 15.22 H new ATOM 0 HG21 THR A 93 -0.394 48.028 68.165 1.00 43.41 H new ATOM 0 HG22 THR A 93 0.018 49.576 68.940 1.00 43.41 H new ATOM 0 HG23 THR A 93 -1.049 48.421 69.772 1.00 43.41 H new ATOM 1457 N ALA A 94 -4.807 50.778 68.222 1.00 20.32 N ATOM 1458 CA ALA A 94 -5.930 51.385 67.520 1.00 32.34 C ATOM 1459 C ALA A 94 -6.239 52.773 68.073 1.00 41.43 C ATOM 1460 O ALA A 94 -6.611 53.679 67.328 1.00 50.52 O ATOM 1461 CB ALA A 94 -7.159 50.491 67.616 1.00 72.14 C ATOM 0 H ALA A 94 -5.021 49.888 68.671 1.00 20.32 H new ATOM 0 HA ALA A 94 -5.654 51.494 66.471 1.00 32.34 H new ATOM 0 HB1 ALA A 94 -7.990 50.957 67.087 1.00 72.14 H new ATOM 0 HB2 ALA A 94 -6.940 49.522 67.166 1.00 72.14 H new ATOM 0 HB3 ALA A 94 -7.427 50.353 68.663 1.00 72.14 H new ATOM 1467 N MET A 95 -6.083 52.930 69.383 1.00 42.33 N ATOM 1468 CA MET A 95 -6.344 54.208 70.036 1.00 23.14 C ATOM 1469 C MET A 95 -5.347 55.267 69.576 1.00 13.34 C ATOM 1470 O MET A 95 -5.643 56.462 69.597 1.00 63.31 O ATOM 1471 CB MET A 95 -6.276 54.051 71.556 1.00 61.32 C ATOM 1472 CG MET A 95 -7.640 54.041 72.228 1.00 41.03 C ATOM 1473 SD MET A 95 -7.627 54.856 73.836 1.00 34.44 S ATOM 1474 CE MET A 95 -8.745 56.222 73.531 1.00 73.43 C ATOM 0 H MET A 95 -5.777 52.189 70.013 1.00 42.33 H new ATOM 0 HA MET A 95 -7.346 54.533 69.757 1.00 23.14 H new ATOM 0 HB2 MET A 95 -5.756 53.123 71.794 1.00 61.32 H new ATOM 0 HB3 MET A 95 -5.682 54.865 71.971 1.00 61.32 H new ATOM 0 HG2 MET A 95 -8.364 54.536 71.580 1.00 41.03 H new ATOM 0 HG3 MET A 95 -7.973 53.010 72.350 1.00 41.03 H new ATOM 0 HE1 MET A 95 -9.051 56.661 74.481 1.00 73.43 H new ATOM 0 HE2 MET A 95 -8.241 56.977 72.928 1.00 73.43 H new ATOM 0 HE3 MET A 95 -9.625 55.860 72.998 1.00 73.43 H new ATOM 1484 N LEU A 96 -4.167 54.821 69.163 1.00 24.35 N ATOM 1485 CA LEU A 96 -3.126 55.731 68.697 1.00 41.40 C ATOM 1486 C LEU A 96 -3.366 56.139 67.247 1.00 55.10 C ATOM 1487 O LEU A 96 -3.526 57.320 66.943 1.00 75.43 O ATOM 1488 CB LEU A 96 -1.751 55.076 68.833 1.00 63.14 C ATOM 1489 CG LEU A 96 -1.633 53.974 69.886 1.00 4.24 C ATOM 1490 CD1 LEU A 96 -0.210 53.439 69.943 1.00 21.10 C ATOM 1491 CD2 LEU A 96 -2.064 54.491 71.251 1.00 32.33 C ATOM 0 H LEU A 96 -3.906 53.835 69.141 1.00 24.35 H new ATOM 0 HA LEU A 96 -3.158 56.627 69.317 1.00 41.40 H new ATOM 0 HB2 LEU A 96 -1.473 54.658 67.866 1.00 63.14 H new ATOM 0 HB3 LEU A 96 -1.022 55.853 69.066 1.00 63.14 H new ATOM 0 HG LEU A 96 -2.296 53.157 69.603 1.00 4.24 H new ATOM 0 HD11 LEU A 96 -0.146 52.656 70.698 1.00 21.10 H new ATOM 0 HD12 LEU A 96 0.064 53.029 68.971 1.00 21.10 H new ATOM 0 HD13 LEU A 96 0.473 54.248 70.201 1.00 21.10 H new ATOM 0 HD21 LEU A 96 -1.973 53.693 71.988 1.00 32.33 H new ATOM 0 HD22 LEU A 96 -1.427 55.327 71.541 1.00 32.33 H new ATOM 0 HD23 LEU A 96 -3.101 54.824 71.203 1.00 32.33 H new ATOM 1503 N ARG A 97 -3.393 55.152 66.357 1.00 54.13 N ATOM 1504 CA ARG A 97 -3.616 55.408 64.939 1.00 31.41 C ATOM 1505 C ARG A 97 -4.995 56.021 64.708 1.00 63.33 C ATOM 1506 O ARG A 97 -5.181 56.825 63.794 1.00 1.20 O ATOM 1507 CB ARG A 97 -3.480 54.113 64.138 1.00 24.43 C ATOM 1508 CG ARG A 97 -4.182 52.925 64.776 1.00 20.44 C ATOM 1509 CD ARG A 97 -3.215 51.783 65.043 1.00 10.22 C ATOM 1510 NE ARG A 97 -3.053 50.919 63.877 1.00 11.23 N ATOM 1511 CZ ARG A 97 -3.899 49.944 63.563 1.00 0.34 C ATOM 1512 NH1 ARG A 97 -4.960 49.711 64.323 1.00 32.41 N ATOM 1513 NH2 ARG A 97 -3.685 49.199 62.486 1.00 24.20 N ATOM 0 H ARG A 97 -3.263 54.168 66.593 1.00 54.13 H new ATOM 0 HA ARG A 97 -2.861 56.117 64.600 1.00 31.41 H new ATOM 0 HB2 ARG A 97 -3.885 54.270 63.138 1.00 24.43 H new ATOM 0 HB3 ARG A 97 -2.422 53.878 64.020 1.00 24.43 H new ATOM 0 HG2 ARG A 97 -4.647 53.236 65.712 1.00 20.44 H new ATOM 0 HG3 ARG A 97 -4.982 52.580 64.122 1.00 20.44 H new ATOM 0 HD2 ARG A 97 -2.245 52.189 65.331 1.00 10.22 H new ATOM 0 HD3 ARG A 97 -3.576 51.192 65.885 1.00 10.22 H new ATOM 0 HE ARG A 97 -2.247 51.072 63.271 1.00 11.23 H new ATOM 0 HH11 ARG A 97 -5.129 50.281 65.152 1.00 32.41 H new ATOM 0 HH12 ARG A 97 -5.607 48.962 64.079 1.00 32.41 H new ATOM 0 HH21 ARG A 97 -2.870 49.375 61.898 1.00 24.20 H new ATOM 0 HH22 ARG A 97 -4.335 48.451 62.246 1.00 24.20 H new ATOM 1527 N GLU A 98 -5.955 55.634 65.540 1.00 21.52 N ATOM 1528 CA GLU A 98 -7.317 56.145 65.423 1.00 44.25 C ATOM 1529 C GLU A 98 -7.452 57.496 66.118 1.00 51.13 C ATOM 1530 O GLU A 98 -7.872 58.480 65.509 1.00 71.32 O ATOM 1531 CB GLU A 98 -8.312 55.149 66.024 1.00 64.41 C ATOM 1532 CG GLU A 98 -9.753 55.408 65.617 1.00 43.11 C ATOM 1533 CD GLU A 98 -10.654 54.217 65.873 1.00 22.05 C ATOM 1534 OE1 GLU A 98 -10.862 53.872 67.055 1.00 54.52 O ATOM 1535 OE2 GLU A 98 -11.154 53.629 64.890 1.00 41.32 O ATOM 0 H GLU A 98 -5.817 54.970 66.302 1.00 21.52 H new ATOM 0 HA GLU A 98 -7.539 56.276 64.364 1.00 44.25 H new ATOM 0 HB2 GLU A 98 -8.033 54.140 65.719 1.00 64.41 H new ATOM 0 HB3 GLU A 98 -8.238 55.185 67.111 1.00 64.41 H new ATOM 0 HG2 GLU A 98 -10.132 56.270 66.166 1.00 43.11 H new ATOM 0 HG3 GLU A 98 -9.787 55.664 64.558 1.00 43.11 H new ATOM 1542 N ARG A 99 -7.094 57.535 67.398 1.00 72.04 N ATOM 1543 CA ARG A 99 -7.177 58.765 68.177 1.00 71.21 C ATOM 1544 C ARG A 99 -5.946 59.638 67.948 1.00 50.50 C ATOM 1545 O ARG A 99 -6.060 60.813 67.605 1.00 73.54 O ATOM 1546 CB ARG A 99 -7.318 58.443 69.665 1.00 42.42 C ATOM 1547 CG ARG A 99 -8.292 59.352 70.396 1.00 41.13 C ATOM 1548 CD ARG A 99 -9.657 58.700 70.548 1.00 0.34 C ATOM 1549 NE ARG A 99 -10.670 59.648 71.003 1.00 41.53 N ATOM 1550 CZ ARG A 99 -11.959 59.349 71.114 1.00 72.44 C ATOM 1551 NH1 ARG A 99 -12.391 58.135 70.805 1.00 51.21 N ATOM 1552 NH2 ARG A 99 -12.820 60.268 71.535 1.00 1.32 N ATOM 0 H ARG A 99 -6.744 56.730 67.917 1.00 72.04 H new ATOM 0 HA ARG A 99 -8.058 59.316 67.847 1.00 71.21 H new ATOM 0 HB2 ARG A 99 -7.647 57.410 69.775 1.00 42.42 H new ATOM 0 HB3 ARG A 99 -6.339 58.518 70.139 1.00 42.42 H new ATOM 0 HG2 ARG A 99 -7.893 59.597 71.380 1.00 41.13 H new ATOM 0 HG3 ARG A 99 -8.395 60.290 69.851 1.00 41.13 H new ATOM 0 HD2 ARG A 99 -9.963 58.273 69.593 1.00 0.34 H new ATOM 0 HD3 ARG A 99 -9.588 57.876 71.258 1.00 0.34 H new ATOM 0 HE ARG A 99 -10.371 60.592 71.249 1.00 41.53 H new ATOM 0 HH11 ARG A 99 -11.733 57.427 70.481 1.00 51.21 H new ATOM 0 HH12 ARG A 99 -13.382 57.909 70.892 1.00 51.21 H new ATOM 0 HH21 ARG A 99 -12.491 61.204 71.773 1.00 1.32 H new ATOM 0 HH22 ARG A 99 -13.810 60.038 71.620 1.00 1.32 H new ATOM 1566 N PHE A 100 -4.768 59.053 68.144 1.00 22.32 N ATOM 1567 CA PHE A 100 -3.516 59.776 67.961 1.00 73.23 C ATOM 1568 C PHE A 100 -3.489 61.042 68.813 1.00 14.32 C ATOM 1569 O PHE A 100 -3.000 62.084 68.380 1.00 41.13 O ATOM 1570 CB PHE A 100 -3.320 60.136 66.487 1.00 74.15 C ATOM 1571 CG PHE A 100 -1.885 60.098 66.046 1.00 34.03 C ATOM 1572 CD1 PHE A 100 -1.084 59.008 66.344 1.00 71.20 C ATOM 1573 CD2 PHE A 100 -1.338 61.153 65.334 1.00 64.23 C ATOM 1574 CE1 PHE A 100 0.238 58.970 65.939 1.00 20.22 C ATOM 1575 CE2 PHE A 100 -0.017 61.121 64.925 1.00 0.34 C ATOM 1576 CZ PHE A 100 0.771 60.028 65.229 1.00 51.13 C ATOM 0 H PHE A 100 -4.655 58.080 68.430 1.00 22.32 H new ATOM 0 HA PHE A 100 -2.701 59.126 68.280 1.00 73.23 H new ATOM 0 HB2 PHE A 100 -3.899 59.446 65.873 1.00 74.15 H new ATOM 0 HB3 PHE A 100 -3.720 61.134 66.309 1.00 74.15 H new ATOM 0 HD1 PHE A 100 -1.496 58.178 66.899 1.00 71.20 H new ATOM 0 HD2 PHE A 100 -1.950 62.010 65.096 1.00 64.23 H new ATOM 0 HE1 PHE A 100 0.852 58.114 66.178 1.00 20.22 H new ATOM 0 HE2 PHE A 100 0.397 61.949 64.369 1.00 0.34 H new ATOM 0 HZ PHE A 100 1.803 60.001 64.912 1.00 51.13 H new ATOM 1586 N ALA A 101 -4.020 60.942 70.028 1.00 30.14 N ATOM 1587 CA ALA A 101 -4.057 62.076 70.942 1.00 62.45 C ATOM 1588 C ALA A 101 -3.214 61.808 72.184 1.00 2.34 C ATOM 1589 O ALA A 101 -3.350 60.767 72.825 1.00 2.11 O ATOM 1590 CB ALA A 101 -5.493 62.392 71.334 1.00 43.24 C ATOM 0 H ALA A 101 -4.431 60.086 70.401 1.00 30.14 H new ATOM 0 HA ALA A 101 -3.634 62.939 70.428 1.00 62.45 H new ATOM 0 HB1 ALA A 101 -5.505 63.241 72.017 1.00 43.24 H new ATOM 0 HB2 ALA A 101 -6.069 62.636 70.441 1.00 43.24 H new ATOM 0 HB3 ALA A 101 -5.935 61.525 71.825 1.00 43.24 H new ATOM 1596 N GLY A 102 -2.342 62.754 72.518 1.00 74.43 N ATOM 1597 CA GLY A 102 -1.489 62.601 73.681 1.00 53.53 C ATOM 1598 C GLY A 102 -0.076 62.192 73.315 1.00 35.12 C ATOM 1599 O GLY A 102 0.886 62.879 73.661 1.00 41.14 O ATOM 0 H GLY A 102 -2.211 63.625 72.003 1.00 74.43 H new ATOM 0 HA2 GLY A 102 -1.460 63.541 74.233 1.00 53.53 H new ATOM 0 HA3 GLY A 102 -1.919 61.853 74.347 1.00 53.53 H new ATOM 1603 N LEU A 103 0.051 61.070 72.616 1.00 34.03 N ATOM 1604 CA LEU A 103 1.358 60.570 72.203 1.00 4.22 C ATOM 1605 C LEU A 103 2.250 61.709 71.721 1.00 24.23 C ATOM 1606 O LEU A 103 3.470 61.661 71.873 1.00 55.44 O ATOM 1607 CB LEU A 103 1.200 59.526 71.096 1.00 52.20 C ATOM 1608 CG LEU A 103 0.080 59.783 70.087 1.00 25.53 C ATOM 1609 CD1 LEU A 103 0.656 60.251 68.758 1.00 15.51 C ATOM 1610 CD2 LEU A 103 -0.762 58.530 69.893 1.00 53.40 C ATOM 0 H LEU A 103 -0.735 60.489 72.323 1.00 34.03 H new ATOM 0 HA LEU A 103 1.831 60.105 73.068 1.00 4.22 H new ATOM 0 HB2 LEU A 103 2.142 59.456 70.553 1.00 52.20 H new ATOM 0 HB3 LEU A 103 1.027 58.555 71.561 1.00 52.20 H new ATOM 0 HG LEU A 103 -0.563 60.571 70.480 1.00 25.53 H new ATOM 0 HD11 LEU A 103 -0.155 60.429 68.052 1.00 15.51 H new ATOM 0 HD12 LEU A 103 1.215 61.175 68.909 1.00 15.51 H new ATOM 0 HD13 LEU A 103 1.322 59.485 68.360 1.00 15.51 H new ATOM 0 HD21 LEU A 103 -1.554 58.732 69.172 1.00 53.40 H new ATOM 0 HD22 LEU A 103 -0.131 57.722 69.523 1.00 53.40 H new ATOM 0 HD23 LEU A 103 -1.204 58.238 70.845 1.00 53.40 H new