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 65 HIS : no HE2:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= -0.717 USER MOD Set 2.2: A 56 GLN : amide:sc= 0 K(o=-0.72,f=-1.6) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 163:sc= -3.87 (180deg=-5.2!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.2) USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.127 F(o=-0.77,f=-0.13) USER MOD Single : A 45 THR OG1 : rot 84:sc= 1.15 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 66:sc= 0.481 USER MOD Single : A 63 TYR OH : rot 150:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 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) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -3.34! USER MOD Single : A 79 THR OG1 : rot -73:sc= 0.187 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 141:sc= -1.34 (180deg=-3.08) USER MOD Single : A 88 GLN : amide:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 90 GLN : amide:sc= -0.141 K(o=-0.14,f=-2.8!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 26:sc= 0.52 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 15.178 47.336 69.285 1.00 72.30 N ATOM 249 CA LYS A 17 15.360 46.130 68.486 1.00 53.31 C ATOM 250 C LYS A 17 14.046 45.702 67.840 1.00 62.34 C ATOM 251 O LYS A 17 13.890 45.774 66.621 1.00 41.22 O ATOM 252 CB LYS A 17 15.906 44.996 69.355 1.00 0.41 C ATOM 253 CG LYS A 17 17.142 45.379 70.151 1.00 74.55 C ATOM 254 CD LYS A 17 17.089 44.827 71.565 1.00 34.23 C ATOM 255 CE LYS A 17 18.389 44.133 71.942 1.00 34.41 C ATOM 256 NZ LYS A 17 18.250 42.651 71.931 1.00 3.21 N ATOM 0 HA LYS A 17 16.077 46.352 67.696 1.00 53.31 H new ATOM 0 HB2 LYS A 17 15.127 44.671 70.044 1.00 0.41 H new ATOM 0 HB3 LYS A 17 16.144 44.144 68.718 1.00 0.41 H new ATOM 0 HG2 LYS A 17 18.032 45.003 69.646 1.00 74.55 H new ATOM 0 HG3 LYS A 17 17.231 46.465 70.187 1.00 74.55 H new ATOM 0 HD2 LYS A 17 16.892 45.638 72.266 1.00 34.23 H new ATOM 0 HD3 LYS A 17 16.261 44.123 71.651 1.00 34.23 H new ATOM 0 HE2 LYS A 17 19.174 44.429 71.246 1.00 34.41 H new ATOM 0 HE3 LYS A 17 18.702 44.461 72.933 1.00 34.41 H new ATOM 0 HZ1 LYS A 17 19.157 42.215 72.193 1.00 3.21 H new ATOM 0 HZ2 LYS A 17 17.519 42.366 72.613 1.00 3.21 H new ATOM 0 HZ3 LYS A 17 17.977 42.335 70.979 1.00 3.21 H new ATOM 270 N TRP A 18 13.104 45.259 68.664 1.00 73.43 N ATOM 271 CA TRP A 18 11.802 44.821 68.172 1.00 61.40 C ATOM 272 C TRP A 18 10.679 45.357 69.053 1.00 10.40 C ATOM 273 O TRP A 18 10.930 45.989 70.080 1.00 32.42 O ATOM 274 CB TRP A 18 11.742 43.294 68.119 1.00 10.15 C ATOM 275 CG TRP A 18 12.893 42.678 67.383 1.00 71.44 C ATOM 276 CD1 TRP A 18 13.204 42.844 66.064 1.00 45.11 C ATOM 277 CD2 TRP A 18 13.885 41.800 67.925 1.00 52.20 C ATOM 278 NE1 TRP A 18 14.330 42.120 65.752 1.00 4.52 N ATOM 279 CE2 TRP A 18 14.768 41.471 66.877 1.00 34.03 C ATOM 280 CE3 TRP A 18 14.115 41.260 69.192 1.00 13.40 C ATOM 281 CZ2 TRP A 18 15.859 40.626 67.061 1.00 10.11 C ATOM 282 CZ3 TRP A 18 15.199 40.421 69.373 1.00 75.00 C ATOM 283 CH2 TRP A 18 16.060 40.112 68.313 1.00 22.15 C ATOM 0 H TRP A 18 13.217 45.193 69.676 1.00 73.43 H new ATOM 0 HA TRP A 18 11.669 45.218 67.165 1.00 61.40 H new ATOM 0 HB2 TRP A 18 11.720 42.903 69.136 1.00 10.15 H new ATOM 0 HB3 TRP A 18 10.811 42.991 67.641 1.00 10.15 H new ATOM 0 HD1 TRP A 18 12.647 43.454 65.368 1.00 45.11 H new ATOM 0 HE1 TRP A 18 14.769 42.073 64.832 1.00 4.52 H new ATOM 0 HE3 TRP A 18 13.458 41.494 70.016 1.00 13.40 H new ATOM 0 HZ2 TRP A 18 16.523 40.385 66.244 1.00 10.11 H new ATOM 0 HZ3 TRP A 18 15.385 39.997 70.349 1.00 75.00 H new ATOM 0 HH2 TRP A 18 16.899 39.455 68.487 1.00 22.15 H new ATOM 294 N LEU A 19 9.440 45.100 68.647 1.00 2.52 N ATOM 295 CA LEU A 19 8.278 45.556 69.400 1.00 53.24 C ATOM 296 C LEU A 19 8.274 44.966 70.807 1.00 43.35 C ATOM 297 O LEU A 19 7.928 43.801 71.001 1.00 40.45 O ATOM 298 CB LEU A 19 6.990 45.172 68.670 1.00 15.34 C ATOM 299 CG LEU A 19 5.697 45.756 69.239 1.00 32.44 C ATOM 300 CD1 LEU A 19 5.619 47.250 68.961 1.00 32.43 C ATOM 301 CD2 LEU A 19 4.486 45.040 68.656 1.00 74.12 C ATOM 0 H LEU A 19 9.215 44.578 67.800 1.00 2.52 H new ATOM 0 HA LEU A 19 8.332 46.642 69.482 1.00 53.24 H new ATOM 0 HB2 LEU A 19 7.079 45.484 67.629 1.00 15.34 H new ATOM 0 HB3 LEU A 19 6.906 44.085 68.671 1.00 15.34 H new ATOM 0 HG LEU A 19 5.698 45.607 70.319 1.00 32.44 H new ATOM 0 HD11 LEU A 19 4.692 47.649 69.373 1.00 32.43 H new ATOM 0 HD12 LEU A 19 6.468 47.751 69.426 1.00 32.43 H new ATOM 0 HD13 LEU A 19 5.641 47.421 67.885 1.00 32.43 H new ATOM 0 HD21 LEU A 19 3.574 45.469 69.072 1.00 74.12 H new ATOM 0 HD22 LEU A 19 4.480 45.158 67.572 1.00 74.12 H new ATOM 0 HD23 LEU A 19 4.535 43.980 68.905 1.00 74.12 H new ATOM 313 N ASP A 20 8.660 45.779 71.784 1.00 51.35 N ATOM 314 CA ASP A 20 8.699 45.339 73.174 1.00 32.35 C ATOM 315 C ASP A 20 9.723 44.224 73.362 1.00 54.50 C ATOM 316 O ASP A 20 9.465 43.240 74.055 1.00 61.21 O ATOM 317 CB ASP A 20 7.316 44.859 73.618 1.00 22.21 C ATOM 318 CG ASP A 20 7.160 44.859 75.126 1.00 72.32 C ATOM 319 OD1 ASP A 20 6.974 45.952 75.702 1.00 2.12 O ATOM 320 OD2 ASP A 20 7.223 43.768 75.730 1.00 50.42 O ATOM 0 H ASP A 20 8.950 46.746 71.639 1.00 51.35 H new ATOM 0 HA ASP A 20 8.995 46.188 73.790 1.00 32.35 H new ATOM 0 HB2 ASP A 20 6.553 45.500 73.177 1.00 22.21 H new ATOM 0 HB3 ASP A 20 7.145 43.852 73.238 1.00 22.21 H new ATOM 325 N GLY A 21 10.887 44.386 72.742 1.00 63.02 N ATOM 326 CA GLY A 21 11.933 43.385 72.853 1.00 21.14 C ATOM 327 C GLY A 21 13.284 43.991 73.179 1.00 14.24 C ATOM 328 O GLY A 21 14.148 44.105 72.309 1.00 0.43 O ATOM 0 H GLY A 21 11.125 45.192 72.165 1.00 63.02 H new ATOM 0 HA2 GLY A 21 11.664 42.667 73.628 1.00 21.14 H new ATOM 0 HA3 GLY A 21 12.003 42.832 71.916 1.00 21.14 H new ATOM 332 N LEU A 22 13.466 44.383 74.435 1.00 14.33 N ATOM 333 CA LEU A 22 14.721 44.983 74.874 1.00 3.20 C ATOM 334 C LEU A 22 15.118 44.467 76.254 1.00 51.20 C ATOM 335 O LEU A 22 14.384 43.697 76.874 1.00 1.34 O ATOM 336 CB LEU A 22 14.599 46.507 74.903 1.00 15.10 C ATOM 337 CG LEU A 22 14.584 47.205 73.543 1.00 0.13 C ATOM 338 CD1 LEU A 22 13.170 47.257 72.985 1.00 62.22 C ATOM 339 CD2 LEU A 22 15.166 48.606 73.656 1.00 43.02 C ATOM 0 H LEU A 22 12.761 44.296 75.167 1.00 14.33 H new ATOM 0 HA LEU A 22 15.498 44.701 74.163 1.00 3.20 H new ATOM 0 HB2 LEU A 22 13.683 46.768 75.433 1.00 15.10 H new ATOM 0 HB3 LEU A 22 15.429 46.907 75.485 1.00 15.10 H new ATOM 0 HG LEU A 22 15.203 46.630 72.855 1.00 0.13 H new ATOM 0 HD11 LEU A 22 13.179 47.757 72.017 1.00 62.22 H new ATOM 0 HD12 LEU A 22 12.788 46.243 72.866 1.00 62.22 H new ATOM 0 HD13 LEU A 22 12.528 47.808 73.672 1.00 62.22 H new ATOM 0 HD21 LEU A 22 15.147 49.088 72.678 1.00 43.02 H new ATOM 0 HD22 LEU A 22 14.574 49.190 74.360 1.00 43.02 H new ATOM 0 HD23 LEU A 22 16.195 48.545 74.011 1.00 43.02 H new ATOM 351 N ARG A 23 16.281 44.900 76.729 1.00 13.41 N ATOM 352 CA ARG A 23 16.774 44.483 78.037 1.00 2.42 C ATOM 353 C ARG A 23 16.342 45.466 79.121 1.00 30.31 C ATOM 354 O ARG A 23 15.730 45.079 80.115 1.00 32.34 O ATOM 355 CB ARG A 23 18.299 44.367 78.018 1.00 25.23 C ATOM 356 CG ARG A 23 18.829 43.172 78.793 1.00 24.00 C ATOM 357 CD ARG A 23 20.070 42.588 78.136 1.00 45.03 C ATOM 358 NE ARG A 23 20.684 41.546 78.955 1.00 15.21 N ATOM 359 CZ ARG A 23 21.904 41.067 78.742 1.00 3.41 C ATOM 360 NH1 ARG A 23 22.638 41.533 77.741 1.00 32.10 N ATOM 361 NH2 ARG A 23 22.393 40.119 79.531 1.00 44.41 N ATOM 0 H ARG A 23 16.899 45.539 76.229 1.00 13.41 H new ATOM 0 HA ARG A 23 16.345 43.507 78.264 1.00 2.42 H new ATOM 0 HB2 ARG A 23 18.637 44.297 76.984 1.00 25.23 H new ATOM 0 HB3 ARG A 23 18.729 45.278 78.433 1.00 25.23 H new ATOM 0 HG2 ARG A 23 19.064 43.474 79.814 1.00 24.00 H new ATOM 0 HG3 ARG A 23 18.056 42.407 78.857 1.00 24.00 H new ATOM 0 HD2 ARG A 23 19.805 42.175 77.163 1.00 45.03 H new ATOM 0 HD3 ARG A 23 20.794 43.383 77.958 1.00 45.03 H new ATOM 0 HE ARG A 23 20.146 41.165 79.733 1.00 15.21 H new ATOM 0 HH11 ARG A 23 22.266 42.262 77.132 1.00 32.10 H new ATOM 0 HH12 ARG A 23 23.575 41.163 77.580 1.00 32.10 H new ATOM 0 HH21 ARG A 23 21.832 39.757 80.302 1.00 44.41 H new ATOM 0 HH22 ARG A 23 23.330 39.752 79.366 1.00 44.41 H new ATOM 449 N GLN A 30 7.239 52.292 77.248 1.00 13.05 N ATOM 450 CA GLN A 30 6.465 51.791 76.117 1.00 42.43 C ATOM 451 C GLN A 30 7.111 52.194 74.796 1.00 32.43 C ATOM 452 O GLN A 30 6.422 52.452 73.810 1.00 31.03 O ATOM 453 CB GLN A 30 5.031 52.317 76.179 1.00 15.33 C ATOM 454 CG GLN A 30 4.313 51.975 77.475 1.00 50.00 C ATOM 455 CD GLN A 30 2.838 52.322 77.435 1.00 24.40 C ATOM 456 OE1 GLN A 30 2.458 53.486 77.567 1.00 24.11 O ATOM 457 NE2 GLN A 30 1.996 51.311 77.250 1.00 41.05 N ATOM 0 HA GLN A 30 6.447 50.703 76.175 1.00 42.43 H new ATOM 0 HB2 GLN A 30 5.044 53.400 76.056 1.00 15.33 H new ATOM 0 HB3 GLN A 30 4.466 51.908 75.341 1.00 15.33 H new ATOM 0 HG2 GLN A 30 4.426 50.910 77.678 1.00 50.00 H new ATOM 0 HG3 GLN A 30 4.786 52.509 78.299 1.00 50.00 H new ATOM 0 HE21 GLN A 30 2.354 50.362 77.145 1.00 41.05 H new ATOM 0 HE22 GLN A 30 0.992 51.484 77.213 1.00 41.05 H new ATOM 466 N GLY A 31 8.439 52.247 74.783 1.00 60.02 N ATOM 467 CA GLY A 31 9.156 52.621 73.577 1.00 32.00 C ATOM 468 C GLY A 31 8.588 51.958 72.337 1.00 74.13 C ATOM 469 O GLY A 31 8.799 52.431 71.221 1.00 4.20 O ATOM 0 H GLY A 31 9.032 52.038 75.586 1.00 60.02 H new ATOM 0 HA2 GLY A 31 9.118 53.704 73.456 1.00 32.00 H new ATOM 0 HA3 GLY A 31 10.206 52.348 73.683 1.00 32.00 H new ATOM 473 N ASP A 32 7.867 50.860 72.533 1.00 73.20 N ATOM 474 CA ASP A 32 7.268 50.130 71.421 1.00 34.02 C ATOM 475 C ASP A 32 6.215 50.981 70.718 1.00 32.33 C ATOM 476 O ASP A 32 6.336 51.281 69.531 1.00 40.02 O ATOM 477 CB ASP A 32 6.640 48.827 71.918 1.00 42.04 C ATOM 478 CG ASP A 32 7.407 48.220 73.077 1.00 22.32 C ATOM 479 OD1 ASP A 32 8.641 48.398 73.128 1.00 45.33 O ATOM 480 OD2 ASP A 32 6.773 47.566 73.931 1.00 2.34 O ATOM 0 H ASP A 32 7.683 50.456 73.451 1.00 73.20 H new ATOM 0 HA ASP A 32 8.056 49.894 70.706 1.00 34.02 H new ATOM 0 HB2 ASP A 32 5.612 49.017 72.226 1.00 42.04 H new ATOM 0 HB3 ASP A 32 6.600 48.110 71.098 1.00 42.04 H new ATOM 485 N VAL A 33 5.180 51.366 71.460 1.00 44.10 N ATOM 486 CA VAL A 33 4.105 52.181 70.908 1.00 63.01 C ATOM 487 C VAL A 33 4.455 53.664 70.968 1.00 35.20 C ATOM 488 O VAL A 33 3.928 54.470 70.200 1.00 20.25 O ATOM 489 CB VAL A 33 2.781 51.946 71.657 1.00 22.42 C ATOM 490 CG1 VAL A 33 2.239 50.557 71.359 1.00 15.42 C ATOM 491 CG2 VAL A 33 2.973 52.144 73.153 1.00 35.34 C ATOM 0 H VAL A 33 5.064 51.126 72.445 1.00 44.10 H new ATOM 0 HA VAL A 33 3.982 51.881 69.867 1.00 63.01 H new ATOM 0 HB VAL A 33 2.051 52.677 71.308 1.00 22.42 H new ATOM 0 HG11 VAL A 33 1.303 50.409 71.897 1.00 15.42 H new ATOM 0 HG12 VAL A 33 2.062 50.458 70.288 1.00 15.42 H new ATOM 0 HG13 VAL A 33 2.963 49.808 71.678 1.00 15.42 H new ATOM 0 HG21 VAL A 33 2.027 51.974 73.667 1.00 35.34 H new ATOM 0 HG22 VAL A 33 3.718 51.438 73.521 1.00 35.34 H new ATOM 0 HG23 VAL A 33 3.312 53.162 73.345 1.00 35.34 H new ATOM 501 N LYS A 34 5.347 54.019 71.887 1.00 20.41 N ATOM 502 CA LYS A 34 5.769 55.405 72.048 1.00 70.11 C ATOM 503 C LYS A 34 6.466 55.912 70.788 1.00 54.34 C ATOM 504 O LYS A 34 6.114 56.962 70.252 1.00 61.42 O ATOM 505 CB LYS A 34 6.706 55.538 73.250 1.00 61.14 C ATOM 506 CG LYS A 34 7.502 56.832 73.262 1.00 31.23 C ATOM 507 CD LYS A 34 8.704 56.739 74.186 1.00 63.01 C ATOM 508 CE LYS A 34 9.997 57.057 73.452 1.00 43.52 C ATOM 509 NZ LYS A 34 11.195 56.616 74.220 1.00 55.45 N ATOM 0 H LYS A 34 5.792 53.365 72.532 1.00 20.41 H new ATOM 0 HA LYS A 34 4.880 56.012 72.219 1.00 70.11 H new ATOM 0 HB2 LYS A 34 6.119 55.474 74.166 1.00 61.14 H new ATOM 0 HB3 LYS A 34 7.398 54.696 73.255 1.00 61.14 H new ATOM 0 HG2 LYS A 34 7.836 57.064 72.251 1.00 31.23 H new ATOM 0 HG3 LYS A 34 6.859 57.653 73.581 1.00 31.23 H new ATOM 0 HD2 LYS A 34 8.578 57.430 75.019 1.00 63.01 H new ATOM 0 HD3 LYS A 34 8.762 55.736 74.610 1.00 63.01 H new ATOM 0 HE2 LYS A 34 9.991 56.569 72.477 1.00 43.52 H new ATOM 0 HE3 LYS A 34 10.057 58.130 73.271 1.00 43.52 H new ATOM 0 HZ1 LYS A 34 12.056 56.851 73.686 1.00 55.45 H new ATOM 0 HZ2 LYS A 34 11.215 57.101 75.140 1.00 55.45 H new ATOM 0 HZ3 LYS A 34 11.151 55.588 74.371 1.00 55.45 H new ATOM 523 N VAL A 35 7.457 55.158 70.321 1.00 35.11 N ATOM 524 CA VAL A 35 8.201 55.529 69.124 1.00 72.13 C ATOM 525 C VAL A 35 7.370 55.300 67.867 1.00 33.23 C ATOM 526 O VAL A 35 7.556 55.976 66.855 1.00 44.33 O ATOM 527 CB VAL A 35 9.514 54.732 69.010 1.00 61.23 C ATOM 528 CG1 VAL A 35 10.239 54.703 70.346 1.00 72.33 C ATOM 529 CG2 VAL A 35 9.238 53.321 68.513 1.00 14.33 C ATOM 0 H VAL A 35 7.763 54.287 70.754 1.00 35.11 H new ATOM 0 HA VAL A 35 8.435 56.590 69.213 1.00 72.13 H new ATOM 0 HB VAL A 35 10.159 55.229 68.285 1.00 61.23 H new ATOM 0 HG11 VAL A 35 11.164 54.135 70.246 1.00 72.33 H new ATOM 0 HG12 VAL A 35 10.470 55.722 70.657 1.00 72.33 H new ATOM 0 HG13 VAL A 35 9.603 54.231 71.095 1.00 72.33 H new ATOM 0 HG21 VAL A 35 10.176 52.772 68.438 1.00 14.33 H new ATOM 0 HG22 VAL A 35 8.574 52.812 69.212 1.00 14.33 H new ATOM 0 HG23 VAL A 35 8.765 53.367 67.532 1.00 14.33 H new ATOM 539 N TRP A 36 6.450 54.345 67.939 1.00 24.33 N ATOM 540 CA TRP A 36 5.588 54.028 66.805 1.00 14.54 C ATOM 541 C TRP A 36 5.083 55.299 66.132 1.00 53.51 C ATOM 542 O TRP A 36 5.076 55.402 64.906 1.00 42.30 O ATOM 543 CB TRP A 36 4.404 53.173 67.263 1.00 25.15 C ATOM 544 CG TRP A 36 3.226 53.249 66.339 1.00 10.51 C ATOM 545 CD1 TRP A 36 3.156 52.778 65.060 1.00 34.44 C ATOM 546 CD2 TRP A 36 1.950 53.831 66.625 1.00 61.11 C ATOM 547 NE1 TRP A 36 1.912 53.033 64.532 1.00 2.53 N ATOM 548 CE2 TRP A 36 1.154 53.677 65.473 1.00 43.22 C ATOM 549 CE3 TRP A 36 1.401 54.467 67.743 1.00 24.55 C ATOM 550 CZ2 TRP A 36 -0.159 54.138 65.409 1.00 4.54 C ATOM 551 CZ3 TRP A 36 0.098 54.922 67.676 1.00 14.24 C ATOM 552 CH2 TRP A 36 -0.670 54.755 66.517 1.00 31.14 C ATOM 0 H TRP A 36 6.281 53.777 68.769 1.00 24.33 H new ATOM 0 HA TRP A 36 6.176 53.465 66.080 1.00 14.54 H new ATOM 0 HB2 TRP A 36 4.725 52.135 67.347 1.00 25.15 H new ATOM 0 HB3 TRP A 36 4.097 53.493 68.259 1.00 25.15 H new ATOM 0 HD1 TRP A 36 3.959 52.278 64.539 1.00 34.44 H new ATOM 0 HE1 TRP A 36 1.604 52.783 63.592 1.00 2.53 H new ATOM 0 HE3 TRP A 36 1.985 54.600 68.642 1.00 24.55 H new ATOM 0 HZ2 TRP A 36 -0.753 54.012 64.515 1.00 4.54 H new ATOM 0 HZ3 TRP A 36 -0.336 55.415 68.533 1.00 14.24 H new ATOM 0 HH2 TRP A 36 -1.686 55.121 66.498 1.00 31.14 H new ATOM 563 N MET A 37 4.661 56.264 66.942 1.00 61.11 N ATOM 564 CA MET A 37 4.156 57.530 66.423 1.00 11.43 C ATOM 565 C MET A 37 5.203 58.217 65.551 1.00 40.21 C ATOM 566 O MET A 37 4.929 58.576 64.406 1.00 43.04 O ATOM 567 CB MET A 37 3.750 58.453 67.573 1.00 14.44 C ATOM 568 CG MET A 37 2.361 59.048 67.413 1.00 14.21 C ATOM 569 SD MET A 37 1.050 57.850 67.727 1.00 52.43 S ATOM 570 CE MET A 37 1.610 57.132 69.270 1.00 1.30 C ATOM 0 H MET A 37 4.659 56.194 67.960 1.00 61.11 H new ATOM 0 HA MET A 37 3.280 57.318 65.810 1.00 11.43 H new ATOM 0 HB2 MET A 37 3.792 57.895 68.508 1.00 14.44 H new ATOM 0 HB3 MET A 37 4.476 59.262 67.652 1.00 14.44 H new ATOM 0 HG2 MET A 37 2.250 59.890 68.097 1.00 14.21 H new ATOM 0 HG3 MET A 37 2.253 59.442 66.402 1.00 14.21 H new ATOM 0 HE1 MET A 37 0.784 56.605 69.747 1.00 1.30 H new ATOM 0 HE2 MET A 37 2.421 56.431 69.072 1.00 1.30 H new ATOM 0 HE3 MET A 37 1.967 57.922 69.931 1.00 1.30 H new ATOM 580 N GLN A 38 6.400 58.395 66.100 1.00 15.40 N ATOM 581 CA GLN A 38 7.486 59.040 65.373 1.00 70.34 C ATOM 582 C GLN A 38 7.898 58.209 64.162 1.00 35.12 C ATOM 583 O GLN A 38 8.352 58.746 63.153 1.00 75.44 O ATOM 584 CB GLN A 38 8.688 59.254 66.293 1.00 4.10 C ATOM 585 CG GLN A 38 9.445 57.975 66.611 1.00 52.52 C ATOM 586 CD GLN A 38 10.924 58.215 66.847 1.00 41.22 C ATOM 587 OE1 GLN A 38 11.749 57.993 65.960 1.00 53.24 O ATOM 588 NE2 GLN A 38 11.266 58.670 68.047 1.00 44.13 N ATOM 0 H GLN A 38 6.642 58.101 67.046 1.00 15.40 H new ATOM 0 HA GLN A 38 7.130 60.009 65.022 1.00 70.34 H new ATOM 0 HB2 GLN A 38 9.371 59.964 65.826 1.00 4.10 H new ATOM 0 HB3 GLN A 38 8.346 59.706 67.224 1.00 4.10 H new ATOM 0 HG2 GLN A 38 9.010 57.511 67.496 1.00 52.52 H new ATOM 0 HG3 GLN A 38 9.322 57.270 65.789 1.00 52.52 H new ATOM 0 HE21 GLN A 38 10.548 58.840 68.752 1.00 44.13 H new ATOM 0 HE22 GLN A 38 12.246 58.850 68.264 1.00 44.13 H new ATOM 597 N ASN A 39 7.737 56.894 64.270 1.00 52.41 N ATOM 598 CA ASN A 39 8.094 55.988 63.185 1.00 62.20 C ATOM 599 C ASN A 39 7.319 56.329 61.915 1.00 14.33 C ATOM 600 O ASN A 39 7.871 56.315 60.815 1.00 22.21 O ATOM 601 CB ASN A 39 7.818 54.539 63.591 1.00 44.30 C ATOM 602 CG ASN A 39 9.077 53.811 64.023 1.00 35.02 C ATOM 603 OD1 ASN A 39 9.409 52.752 63.491 1.00 14.34 O ATOM 604 ND2 ASN A 39 9.784 54.378 64.995 1.00 64.32 N ATOM 0 H ASN A 39 7.361 56.432 65.098 1.00 52.41 H new ATOM 0 HA ASN A 39 9.159 56.105 62.982 1.00 62.20 H new ATOM 0 HB2 ASN A 39 7.095 54.524 64.406 1.00 44.30 H new ATOM 0 HB3 ASN A 39 7.364 54.010 62.753 1.00 44.30 H new ATOM 0 HD21 ASN A 39 10.640 53.934 65.329 1.00 64.32 H new ATOM 0 HD22 ASN A 39 9.471 55.257 65.407 1.00 64.32 H new ATOM 611 N LEU A 40 6.036 56.634 62.077 1.00 12.24 N ATOM 612 CA LEU A 40 5.183 56.978 60.944 1.00 55.33 C ATOM 613 C LEU A 40 5.352 58.445 60.562 1.00 50.02 C ATOM 614 O LEU A 40 5.345 58.794 59.382 1.00 31.35 O ATOM 615 CB LEU A 40 3.718 56.692 61.278 1.00 33.12 C ATOM 616 CG LEU A 40 3.469 55.772 62.472 1.00 14.42 C ATOM 617 CD1 LEU A 40 1.986 55.464 62.610 1.00 22.41 C ATOM 618 CD2 LEU A 40 4.272 54.486 62.333 1.00 60.41 C ATOM 0 H LEU A 40 5.564 56.650 62.981 1.00 12.24 H new ATOM 0 HA LEU A 40 5.482 56.363 60.095 1.00 55.33 H new ATOM 0 HB2 LEU A 40 3.217 57.642 61.466 1.00 33.12 H new ATOM 0 HB3 LEU A 40 3.246 56.251 60.400 1.00 33.12 H new ATOM 0 HG LEU A 40 3.798 56.286 63.375 1.00 14.42 H new ATOM 0 HD11 LEU A 40 1.829 54.808 63.466 1.00 22.41 H new ATOM 0 HD12 LEU A 40 1.434 56.392 62.758 1.00 22.41 H new ATOM 0 HD13 LEU A 40 1.631 54.971 61.705 1.00 22.41 H new ATOM 0 HD21 LEU A 40 4.082 53.843 63.193 1.00 60.41 H new ATOM 0 HD22 LEU A 40 3.975 53.969 61.421 1.00 60.41 H new ATOM 0 HD23 LEU A 40 5.335 54.724 62.286 1.00 60.41 H new ATOM 630 N GLU A 41 5.508 59.300 61.569 1.00 31.40 N ATOM 631 CA GLU A 41 5.681 60.729 61.337 1.00 13.15 C ATOM 632 C GLU A 41 6.691 60.981 60.222 1.00 73.20 C ATOM 633 O GLU A 41 6.534 61.906 59.425 1.00 41.14 O ATOM 634 CB GLU A 41 6.137 61.425 62.620 1.00 53.34 C ATOM 635 CG GLU A 41 5.519 62.798 62.821 1.00 73.05 C ATOM 636 CD GLU A 41 5.856 63.398 64.173 1.00 54.40 C ATOM 637 OE1 GLU A 41 7.057 63.591 64.455 1.00 62.53 O ATOM 638 OE2 GLU A 41 4.917 63.672 64.951 1.00 63.54 O ATOM 0 H GLU A 41 5.518 59.028 62.552 1.00 31.40 H new ATOM 0 HA GLU A 41 4.719 61.140 61.032 1.00 13.15 H new ATOM 0 HB2 GLU A 41 5.887 60.795 63.474 1.00 53.34 H new ATOM 0 HB3 GLU A 41 7.222 61.523 62.604 1.00 53.34 H new ATOM 0 HG2 GLU A 41 5.866 63.467 62.034 1.00 73.05 H new ATOM 0 HG3 GLU A 41 4.436 62.723 62.721 1.00 73.05 H new ATOM 645 N ASP A 42 7.727 60.151 60.172 1.00 62.23 N ATOM 646 CA ASP A 42 8.763 60.283 59.155 1.00 4.54 C ATOM 647 C ASP A 42 8.336 59.611 57.853 1.00 71.32 C ATOM 648 O ASP A 42 8.432 60.202 56.776 1.00 72.01 O ATOM 649 CB ASP A 42 10.075 59.672 59.651 1.00 73.13 C ATOM 650 CG ASP A 42 11.145 60.720 59.894 1.00 23.03 C ATOM 651 OD1 ASP A 42 10.991 61.517 60.844 1.00 23.35 O ATOM 652 OD2 ASP A 42 12.137 60.740 59.136 1.00 71.03 O ATOM 0 H ASP A 42 7.871 59.380 60.824 1.00 62.23 H new ATOM 0 HA ASP A 42 8.915 61.345 58.962 1.00 4.54 H new ATOM 0 HB2 ASP A 42 9.891 59.123 60.575 1.00 73.13 H new ATOM 0 HB3 ASP A 42 10.437 58.950 58.918 1.00 73.13 H new ATOM 657 N LEU A 43 7.865 58.373 57.959 1.00 75.55 N ATOM 658 CA LEU A 43 7.423 57.620 56.790 1.00 41.20 C ATOM 659 C LEU A 43 6.275 58.334 56.086 1.00 30.35 C ATOM 660 O LEU A 43 6.381 58.697 54.914 1.00 31.02 O ATOM 661 CB LEU A 43 6.990 56.212 57.201 1.00 60.12 C ATOM 662 CG LEU A 43 7.144 55.125 56.136 1.00 40.10 C ATOM 663 CD1 LEU A 43 6.434 55.530 54.854 1.00 0.11 C ATOM 664 CD2 LEU A 43 8.616 54.846 55.868 1.00 54.00 C ATOM 0 H LEU A 43 7.779 57.870 58.842 1.00 75.55 H new ATOM 0 HA LEU A 43 8.260 57.547 56.096 1.00 41.20 H new ATOM 0 HB2 LEU A 43 7.566 55.918 58.078 1.00 60.12 H new ATOM 0 HB3 LEU A 43 5.944 56.249 57.505 1.00 60.12 H new ATOM 0 HG LEU A 43 6.683 54.210 56.508 1.00 40.10 H new ATOM 0 HD11 LEU A 43 6.554 54.745 54.108 1.00 0.11 H new ATOM 0 HD12 LEU A 43 5.373 55.678 55.057 1.00 0.11 H new ATOM 0 HD13 LEU A 43 6.865 56.458 54.477 1.00 0.11 H new ATOM 0 HD21 LEU A 43 8.707 54.070 55.108 1.00 54.00 H new ATOM 0 HD22 LEU A 43 9.101 55.757 55.517 1.00 54.00 H new ATOM 0 HD23 LEU A 43 9.096 54.511 56.787 1.00 54.00 H new ATOM 676 N HIS A 44 5.176 58.532 56.808 1.00 23.21 N ATOM 677 CA HIS A 44 4.007 59.204 56.253 1.00 63.40 C ATOM 678 C HIS A 44 4.420 60.429 55.441 1.00 34.54 C ATOM 679 O HIS A 44 3.903 60.666 54.348 1.00 32.52 O ATOM 680 CB HIS A 44 3.051 59.618 57.372 1.00 24.41 C ATOM 681 CG HIS A 44 1.749 60.168 56.873 1.00 54.23 C ATOM 682 ND1 HIS A 44 1.481 61.254 56.113 1.00 32.31 N flip ATOM 683 CD2 HIS A 44 0.531 59.587 57.154 1.00 30.51 C flip ATOM 684 CE1 HIS A 44 0.118 61.309 55.946 1.00 5.42 C flip ATOM 685 NE2 HIS A 44 -0.432 60.292 56.584 1.00 4.30 N flip ATOM 0 H HIS A 44 5.071 58.236 57.779 1.00 23.21 H new ATOM 0 HA HIS A 44 3.497 58.505 55.590 1.00 63.40 H new ATOM 0 HB2 HIS A 44 2.852 58.755 58.007 1.00 24.41 H new ATOM 0 HB3 HIS A 44 3.538 60.368 57.996 1.00 24.41 H new ATOM 0 HD2 HIS A 44 0.386 58.696 57.747 1.00 30.51 H new ATOM 0 HE1 HIS A 44 -0.416 62.061 55.385 1.00 5.42 H new ATOM 0 HE2 HIS A 44 -1.430 60.085 56.629 1.00 4.30 H new ATOM 693 N THR A 45 5.353 61.206 55.982 1.00 13.43 N ATOM 694 CA THR A 45 5.833 62.406 55.310 1.00 23.21 C ATOM 695 C THR A 45 6.055 62.152 53.824 1.00 61.23 C ATOM 696 O THR A 45 5.814 63.027 52.992 1.00 62.31 O ATOM 697 CB THR A 45 7.146 62.913 55.935 1.00 3.22 C ATOM 698 OG1 THR A 45 6.939 63.238 57.314 1.00 72.22 O ATOM 699 CG2 THR A 45 7.663 64.135 55.191 1.00 10.54 C ATOM 0 H THR A 45 5.791 61.025 56.885 1.00 13.43 H new ATOM 0 HA THR A 45 5.063 63.167 55.434 1.00 23.21 H new ATOM 0 HB THR A 45 7.890 62.120 55.858 1.00 3.22 H new ATOM 0 HG1 THR A 45 7.021 62.427 57.857 1.00 72.22 H new ATOM 0 HG21 THR A 45 8.591 64.475 55.651 1.00 10.54 H new ATOM 0 HG22 THR A 45 7.848 63.875 54.149 1.00 10.54 H new ATOM 0 HG23 THR A 45 6.921 64.932 55.240 1.00 10.54 H new ATOM 707 N ARG A 46 6.516 60.949 53.496 1.00 24.10 N ATOM 708 CA ARG A 46 6.772 60.581 52.108 1.00 14.10 C ATOM 709 C ARG A 46 5.633 59.731 51.553 1.00 20.41 C ATOM 710 O ARG A 46 4.978 60.110 50.582 1.00 52.04 O ATOM 711 CB ARG A 46 8.093 59.818 51.996 1.00 63.13 C ATOM 712 CG ARG A 46 9.059 60.418 50.989 1.00 61.53 C ATOM 713 CD ARG A 46 10.505 60.219 51.415 1.00 11.21 C ATOM 714 NE ARG A 46 11.444 60.637 50.378 1.00 45.30 N ATOM 715 CZ ARG A 46 12.697 61.003 50.626 1.00 61.50 C ATOM 716 NH1 ARG A 46 13.157 61.005 51.869 1.00 42.42 N ATOM 717 NH2 ARG A 46 13.492 61.371 49.628 1.00 4.02 N ATOM 0 H ARG A 46 6.720 60.213 54.172 1.00 24.10 H new ATOM 0 HA ARG A 46 6.839 61.497 51.521 1.00 14.10 H new ATOM 0 HB2 ARG A 46 8.572 59.792 52.975 1.00 63.13 H new ATOM 0 HB3 ARG A 46 7.884 58.786 51.716 1.00 63.13 H new ATOM 0 HG2 ARG A 46 8.900 59.959 50.013 1.00 61.53 H new ATOM 0 HG3 ARG A 46 8.855 61.483 50.878 1.00 61.53 H new ATOM 0 HD2 ARG A 46 10.696 60.786 52.326 1.00 11.21 H new ATOM 0 HD3 ARG A 46 10.672 59.168 51.652 1.00 11.21 H new ATOM 0 HE ARG A 46 11.121 60.649 49.411 1.00 45.30 H new ATOM 0 HH11 ARG A 46 12.549 60.725 52.638 1.00 42.42 H new ATOM 0 HH12 ARG A 46 14.119 61.286 52.056 1.00 42.42 H new ATOM 0 HH21 ARG A 46 13.141 61.373 48.670 1.00 4.02 H new ATOM 0 HH22 ARG A 46 14.454 61.652 49.819 1.00 4.02 H new ATOM 731 N ARG A 47 5.402 58.580 52.176 1.00 65.24 N ATOM 732 CA ARG A 47 4.343 57.675 51.743 1.00 42.32 C ATOM 733 C ARG A 47 3.413 57.333 52.902 1.00 54.12 C ATOM 734 O ARG A 47 3.827 56.782 53.922 1.00 53.31 O ATOM 735 CB ARG A 47 4.944 56.394 51.162 1.00 41.32 C ATOM 736 CG ARG A 47 3.914 55.465 50.540 1.00 62.24 C ATOM 737 CD ARG A 47 3.610 55.855 49.102 1.00 72.32 C ATOM 738 NE ARG A 47 3.669 54.708 48.200 1.00 43.02 N ATOM 739 CZ ARG A 47 3.490 54.795 46.887 1.00 72.34 C ATOM 740 NH1 ARG A 47 3.244 55.971 46.325 1.00 34.24 N ATOM 741 NH2 ARG A 47 3.558 53.707 46.133 1.00 25.21 N ATOM 0 H ARG A 47 5.934 58.252 52.982 1.00 65.24 H new ATOM 0 HA ARG A 47 3.762 58.179 50.970 1.00 42.32 H new ATOM 0 HB2 ARG A 47 5.684 56.660 50.407 1.00 41.32 H new ATOM 0 HB3 ARG A 47 5.472 55.860 51.952 1.00 41.32 H new ATOM 0 HG2 ARG A 47 4.282 54.439 50.570 1.00 62.24 H new ATOM 0 HG3 ARG A 47 2.996 55.492 51.127 1.00 62.24 H new ATOM 0 HD2 ARG A 47 2.619 56.306 49.050 1.00 72.32 H new ATOM 0 HD3 ARG A 47 4.322 56.612 48.773 1.00 72.32 H new ATOM 0 HE ARG A 47 3.858 53.789 48.601 1.00 43.02 H new ATOM 0 HH11 ARG A 47 3.192 56.811 46.902 1.00 34.24 H new ATOM 0 HH12 ARG A 47 3.107 56.035 45.316 1.00 34.24 H new ATOM 0 HH21 ARG A 47 3.748 52.801 46.561 1.00 25.21 H new ATOM 0 HH22 ARG A 47 3.420 53.776 45.125 1.00 25.21 H new ATOM 755 N PRO A 48 2.124 57.668 52.745 1.00 35.51 N ATOM 756 CA PRO A 48 1.107 57.407 53.768 1.00 54.23 C ATOM 757 C PRO A 48 0.804 55.920 53.917 1.00 33.20 C ATOM 758 O PRO A 48 0.427 55.458 54.995 1.00 25.01 O ATOM 759 CB PRO A 48 -0.123 58.153 53.245 1.00 71.11 C ATOM 760 CG PRO A 48 0.074 58.223 51.770 1.00 14.42 C ATOM 761 CD PRO A 48 1.559 58.329 51.556 1.00 32.02 C ATOM 0 HA PRO A 48 1.431 57.732 54.757 1.00 54.23 H new ATOM 0 HB2 PRO A 48 -1.043 57.625 53.497 1.00 71.11 H new ATOM 0 HB3 PRO A 48 -0.197 59.149 53.682 1.00 71.11 H new ATOM 0 HG2 PRO A 48 -0.329 57.337 51.280 1.00 14.42 H new ATOM 0 HG3 PRO A 48 -0.444 59.084 51.347 1.00 14.42 H new ATOM 0 HD2 PRO A 48 1.869 57.834 50.636 1.00 32.02 H new ATOM 0 HD3 PRO A 48 1.881 59.368 51.483 1.00 32.02 H new ATOM 769 N ASP A 49 0.971 55.176 52.830 1.00 4.53 N ATOM 770 CA ASP A 49 0.716 53.739 52.840 1.00 45.11 C ATOM 771 C ASP A 49 1.851 52.991 53.533 1.00 72.15 C ATOM 772 O ASP A 49 1.628 52.268 54.504 1.00 22.32 O ATOM 773 CB ASP A 49 0.545 53.220 51.411 1.00 34.15 C ATOM 774 CG ASP A 49 0.187 51.747 51.370 1.00 34.31 C ATOM 775 OD1 ASP A 49 -0.938 51.398 51.786 1.00 55.12 O ATOM 776 OD2 ASP A 49 1.030 50.944 50.921 1.00 62.32 O ATOM 0 H ASP A 49 1.282 55.543 51.930 1.00 4.53 H new ATOM 0 HA ASP A 49 -0.205 53.562 53.396 1.00 45.11 H new ATOM 0 HB2 ASP A 49 -0.234 53.794 50.909 1.00 34.15 H new ATOM 0 HB3 ASP A 49 1.469 53.382 50.855 1.00 34.15 H new ATOM 781 N GLU A 50 3.067 53.170 53.027 1.00 24.31 N ATOM 782 CA GLU A 50 4.236 52.510 53.596 1.00 75.14 C ATOM 783 C GLU A 50 4.380 52.843 55.079 1.00 72.22 C ATOM 784 O GLU A 50 5.138 52.196 55.802 1.00 64.24 O ATOM 785 CB GLU A 50 5.502 52.926 52.844 1.00 53.13 C ATOM 786 CG GLU A 50 5.761 52.107 51.591 1.00 45.22 C ATOM 787 CD GLU A 50 7.225 52.095 51.196 1.00 5.52 C ATOM 788 OE1 GLU A 50 7.903 53.124 51.394 1.00 63.43 O ATOM 789 OE2 GLU A 50 7.693 51.053 50.688 1.00 50.00 O ATOM 0 H GLU A 50 3.268 53.766 52.224 1.00 24.31 H new ATOM 0 HA GLU A 50 4.099 51.433 53.494 1.00 75.14 H new ATOM 0 HB2 GLU A 50 5.423 53.978 52.571 1.00 53.13 H new ATOM 0 HB3 GLU A 50 6.358 52.834 53.512 1.00 53.13 H new ATOM 0 HG2 GLU A 50 5.424 51.083 51.754 1.00 45.22 H new ATOM 0 HG3 GLU A 50 5.170 52.510 50.769 1.00 45.22 H new ATOM 796 N PHE A 51 3.646 53.857 55.525 1.00 41.33 N ATOM 797 CA PHE A 51 3.692 54.278 56.921 1.00 40.44 C ATOM 798 C PHE A 51 3.698 53.070 57.854 1.00 25.14 C ATOM 799 O PHE A 51 4.465 53.017 58.816 1.00 61.00 O ATOM 800 CB PHE A 51 2.499 55.180 57.244 1.00 3.12 C ATOM 801 CG PHE A 51 1.339 54.444 57.853 1.00 50.41 C ATOM 802 CD1 PHE A 51 0.521 53.645 57.071 1.00 53.32 C ATOM 803 CD2 PHE A 51 1.069 54.551 59.208 1.00 61.14 C ATOM 804 CE1 PHE A 51 -0.548 52.968 57.630 1.00 44.03 C ATOM 805 CE2 PHE A 51 0.003 53.877 59.771 1.00 11.33 C ATOM 806 CZ PHE A 51 -0.806 53.083 58.981 1.00 42.44 C ATOM 0 H PHE A 51 3.012 54.402 54.941 1.00 41.33 H new ATOM 0 HA PHE A 51 4.614 54.838 57.075 1.00 40.44 H new ATOM 0 HB2 PHE A 51 2.821 55.964 57.929 1.00 3.12 H new ATOM 0 HB3 PHE A 51 2.167 55.672 56.330 1.00 3.12 H new ATOM 0 HD1 PHE A 51 0.720 53.550 56.014 1.00 53.32 H new ATOM 0 HD2 PHE A 51 1.699 55.168 59.831 1.00 61.14 H new ATOM 0 HE1 PHE A 51 -1.180 52.350 57.010 1.00 44.03 H new ATOM 0 HE2 PHE A 51 -0.198 53.971 60.828 1.00 11.33 H new ATOM 0 HZ PHE A 51 -1.639 52.553 59.420 1.00 42.44 H new ATOM 816 N THR A 52 2.837 52.100 57.562 1.00 23.32 N ATOM 817 CA THR A 52 2.741 50.894 58.373 1.00 14.35 C ATOM 818 C THR A 52 3.968 50.010 58.192 1.00 3.35 C ATOM 819 O THR A 52 4.338 49.254 59.089 1.00 2.54 O ATOM 820 CB THR A 52 1.480 50.081 58.024 1.00 12.14 C ATOM 821 OG1 THR A 52 1.720 48.686 58.244 1.00 13.20 O ATOM 822 CG2 THR A 52 1.074 50.308 56.576 1.00 33.22 C ATOM 0 H THR A 52 2.196 52.127 56.769 1.00 23.32 H new ATOM 0 HA THR A 52 2.680 51.217 59.412 1.00 14.35 H new ATOM 0 HB THR A 52 0.668 50.416 58.670 1.00 12.14 H new ATOM 0 HG1 THR A 52 0.913 48.176 58.021 1.00 13.20 H new ATOM 0 HG21 THR A 52 0.181 49.724 56.353 1.00 33.22 H new ATOM 0 HG22 THR A 52 0.864 51.366 56.419 1.00 33.22 H new ATOM 0 HG23 THR A 52 1.885 49.997 55.918 1.00 33.22 H new ATOM 830 N ALA A 53 4.596 50.110 57.025 1.00 3.33 N ATOM 831 CA ALA A 53 5.785 49.321 56.727 1.00 4.25 C ATOM 832 C ALA A 53 6.872 49.548 57.773 1.00 61.55 C ATOM 833 O ALA A 53 7.807 48.757 57.893 1.00 1.32 O ATOM 834 CB ALA A 53 6.308 49.656 55.338 1.00 72.12 C ATOM 0 H ALA A 53 4.301 50.730 56.270 1.00 3.33 H new ATOM 0 HA ALA A 53 5.506 48.268 56.753 1.00 4.25 H new ATOM 0 HB1 ALA A 53 7.196 49.059 55.130 1.00 72.12 H new ATOM 0 HB2 ALA A 53 5.540 49.435 54.597 1.00 72.12 H new ATOM 0 HB3 ALA A 53 6.563 50.715 55.291 1.00 72.12 H new ATOM 840 N ARG A 54 6.743 50.636 58.526 1.00 30.40 N ATOM 841 CA ARG A 54 7.716 50.969 59.559 1.00 34.01 C ATOM 842 C ARG A 54 7.526 50.084 60.789 1.00 71.12 C ATOM 843 O ARG A 54 8.384 49.262 61.114 1.00 21.45 O ATOM 844 CB ARG A 54 7.590 52.442 59.953 1.00 12.31 C ATOM 845 CG ARG A 54 8.896 53.059 60.425 1.00 72.35 C ATOM 846 CD ARG A 54 9.576 53.841 59.312 1.00 41.01 C ATOM 847 NE ARG A 54 10.387 52.980 58.456 1.00 43.25 N ATOM 848 CZ ARG A 54 11.339 53.434 57.648 1.00 3.25 C ATOM 849 NH1 ARG A 54 11.597 54.732 57.585 1.00 41.54 N ATOM 850 NH2 ARG A 54 12.035 52.587 56.899 1.00 33.20 N ATOM 0 H ARG A 54 5.975 51.301 58.440 1.00 30.40 H new ATOM 0 HA ARG A 54 8.713 50.792 59.155 1.00 34.01 H new ATOM 0 HB2 ARG A 54 7.219 53.008 59.098 1.00 12.31 H new ATOM 0 HB3 ARG A 54 6.847 52.535 60.745 1.00 12.31 H new ATOM 0 HG2 ARG A 54 8.703 53.720 61.270 1.00 72.35 H new ATOM 0 HG3 ARG A 54 9.563 52.274 60.780 1.00 72.35 H new ATOM 0 HD2 ARG A 54 8.821 54.344 58.709 1.00 41.01 H new ATOM 0 HD3 ARG A 54 10.206 54.617 59.747 1.00 41.01 H new ATOM 0 HE ARG A 54 10.213 51.975 58.480 1.00 43.25 H new ATOM 0 HH11 ARG A 54 11.064 55.386 58.158 1.00 41.54 H new ATOM 0 HH12 ARG A 54 12.329 55.077 56.964 1.00 41.54 H new ATOM 0 HH21 ARG A 54 11.839 51.587 56.944 1.00 33.20 H new ATOM 0 HH22 ARG A 54 12.766 52.936 56.279 1.00 33.20 H new ATOM 864 N LEU A 55 6.399 50.261 61.470 1.00 32.52 N ATOM 865 CA LEU A 55 6.096 49.480 62.663 1.00 15.41 C ATOM 866 C LEU A 55 5.584 48.092 62.292 1.00 54.11 C ATOM 867 O LEU A 55 5.572 47.182 63.120 1.00 1.01 O ATOM 868 CB LEU A 55 5.060 50.205 63.523 1.00 31.42 C ATOM 869 CG LEU A 55 3.636 50.244 62.966 1.00 73.42 C ATOM 870 CD1 LEU A 55 3.605 50.966 61.628 1.00 63.14 C ATOM 871 CD2 LEU A 55 3.078 48.835 62.827 1.00 43.12 C ATOM 0 H LEU A 55 5.680 50.939 61.216 1.00 32.52 H new ATOM 0 HA LEU A 55 7.017 49.366 63.234 1.00 15.41 H new ATOM 0 HB2 LEU A 55 5.033 49.729 64.503 1.00 31.42 H new ATOM 0 HB3 LEU A 55 5.397 51.230 63.676 1.00 31.42 H new ATOM 0 HG LEU A 55 3.008 50.794 63.667 1.00 73.42 H new ATOM 0 HD11 LEU A 55 2.584 50.984 61.248 1.00 63.14 H new ATOM 0 HD12 LEU A 55 3.962 51.988 61.758 1.00 63.14 H new ATOM 0 HD13 LEU A 55 4.248 50.445 60.918 1.00 63.14 H new ATOM 0 HD21 LEU A 55 2.064 48.883 62.429 1.00 43.12 H new ATOM 0 HD22 LEU A 55 3.707 48.260 62.148 1.00 43.12 H new ATOM 0 HD23 LEU A 55 3.062 48.352 63.804 1.00 43.12 H new ATOM 883 N GLN A 56 5.164 47.938 61.040 1.00 74.43 N ATOM 884 CA GLN A 56 4.651 46.661 60.559 1.00 3.31 C ATOM 885 C GLN A 56 5.655 45.541 60.814 1.00 5.10 C ATOM 886 O GLN A 56 5.273 44.395 61.049 1.00 55.24 O ATOM 887 CB GLN A 56 4.334 46.745 59.065 1.00 34.33 C ATOM 888 CG GLN A 56 4.191 45.388 58.395 1.00 42.14 C ATOM 889 CD GLN A 56 3.800 45.496 56.935 1.00 23.33 C ATOM 890 OE1 GLN A 56 3.330 46.539 56.481 1.00 55.24 O ATOM 891 NE2 GLN A 56 3.992 44.415 56.189 1.00 4.41 N ATOM 0 H GLN A 56 5.169 48.681 60.341 1.00 74.43 H new ATOM 0 HA GLN A 56 3.735 46.437 61.106 1.00 3.31 H new ATOM 0 HB2 GLN A 56 3.410 47.307 58.929 1.00 34.33 H new ATOM 0 HB3 GLN A 56 5.124 47.306 58.566 1.00 34.33 H new ATOM 0 HG2 GLN A 56 5.133 44.846 58.476 1.00 42.14 H new ATOM 0 HG3 GLN A 56 3.440 44.802 58.926 1.00 42.14 H new ATOM 0 HE21 GLN A 56 4.384 43.571 56.606 1.00 4.41 H new ATOM 0 HE22 GLN A 56 3.747 44.429 55.199 1.00 4.41 H new ATOM 900 N GLN A 57 6.939 45.880 60.765 1.00 73.44 N ATOM 901 CA GLN A 57 7.997 44.903 60.991 1.00 22.41 C ATOM 902 C GLN A 57 8.164 44.615 62.479 1.00 41.54 C ATOM 903 O GLN A 57 8.390 43.473 62.878 1.00 52.02 O ATOM 904 CB GLN A 57 9.317 45.405 60.404 1.00 40.23 C ATOM 905 CG GLN A 57 9.322 45.475 58.886 1.00 71.03 C ATOM 906 CD GLN A 57 10.117 44.350 58.252 1.00 75.41 C ATOM 907 OE1 GLN A 57 9.629 43.228 58.120 1.00 12.53 O ATOM 908 NE2 GLN A 57 11.349 44.647 57.855 1.00 23.24 N ATOM 0 H GLN A 57 7.272 46.824 60.571 1.00 73.44 H new ATOM 0 HA GLN A 57 7.715 43.977 60.491 1.00 22.41 H new ATOM 0 HB2 GLN A 57 9.530 46.396 60.805 1.00 40.23 H new ATOM 0 HB3 GLN A 57 10.123 44.749 60.731 1.00 40.23 H new ATOM 0 HG2 GLN A 57 8.295 45.440 58.521 1.00 71.03 H new ATOM 0 HG3 GLN A 57 9.739 46.432 58.572 1.00 71.03 H new ATOM 0 HE21 GLN A 57 11.713 45.591 57.984 1.00 23.24 H new ATOM 0 HE22 GLN A 57 11.931 43.931 57.421 1.00 23.24 H new ATOM 917 N SER A 58 8.052 45.659 63.295 1.00 3.05 N ATOM 918 CA SER A 58 8.195 45.518 64.739 1.00 73.12 C ATOM 919 C SER A 58 7.034 44.721 65.325 1.00 73.10 C ATOM 920 O SER A 58 7.224 43.873 66.198 1.00 41.21 O ATOM 921 CB SER A 58 8.268 46.895 65.402 1.00 42.34 C ATOM 922 OG SER A 58 9.612 47.329 65.528 1.00 63.31 O ATOM 0 H SER A 58 7.863 46.611 62.981 1.00 3.05 H new ATOM 0 HA SER A 58 9.121 44.977 64.936 1.00 73.12 H new ATOM 0 HB2 SER A 58 7.703 47.617 64.812 1.00 42.34 H new ATOM 0 HB3 SER A 58 7.802 46.853 66.386 1.00 42.34 H new ATOM 0 HG SER A 58 9.632 48.212 65.953 1.00 63.31 H new ATOM 928 N THR A 59 5.828 44.999 64.839 1.00 2.22 N ATOM 929 CA THR A 59 4.635 44.309 65.314 1.00 21.30 C ATOM 930 C THR A 59 4.876 42.809 65.429 1.00 51.11 C ATOM 931 O THR A 59 4.331 42.150 66.314 1.00 14.44 O ATOM 932 CB THR A 59 3.435 44.555 64.379 1.00 1.22 C ATOM 933 OG1 THR A 59 3.266 45.959 64.157 1.00 4.24 O ATOM 934 CG2 THR A 59 2.160 43.973 64.971 1.00 1.40 C ATOM 0 H THR A 59 5.652 45.697 64.117 1.00 2.22 H new ATOM 0 HA THR A 59 4.407 44.714 66.300 1.00 21.30 H new ATOM 0 HB THR A 59 3.635 44.059 63.429 1.00 1.22 H new ATOM 0 HG1 THR A 59 4.032 46.305 63.654 1.00 4.24 H new ATOM 0 HG21 THR A 59 1.327 44.159 64.294 1.00 1.40 H new ATOM 0 HG22 THR A 59 2.281 42.899 65.111 1.00 1.40 H new ATOM 0 HG23 THR A 59 1.958 44.444 65.933 1.00 1.40 H new ATOM 942 N ASP A 60 5.696 42.275 64.531 1.00 42.33 N ATOM 943 CA ASP A 60 6.012 40.851 64.534 1.00 72.20 C ATOM 944 C ASP A 60 6.239 40.348 65.956 1.00 1.14 C ATOM 945 O ASP A 60 5.760 39.277 66.330 1.00 32.55 O ATOM 946 CB ASP A 60 7.251 40.580 63.680 1.00 2.13 C ATOM 947 CG ASP A 60 7.013 39.503 62.640 1.00 10.21 C ATOM 948 OD1 ASP A 60 6.477 39.829 61.560 1.00 20.12 O ATOM 949 OD2 ASP A 60 7.364 38.335 62.905 1.00 42.43 O ATOM 0 H ASP A 60 6.154 42.807 63.791 1.00 42.33 H new ATOM 0 HA ASP A 60 5.163 40.315 64.109 1.00 72.20 H new ATOM 0 HB2 ASP A 60 7.554 41.501 63.182 1.00 2.13 H new ATOM 0 HB3 ASP A 60 8.076 40.281 64.327 1.00 2.13 H new ATOM 954 N ALA A 61 6.971 41.126 66.744 1.00 50.34 N ATOM 955 CA ALA A 61 7.261 40.760 68.125 1.00 41.32 C ATOM 956 C ALA A 61 5.995 40.318 68.853 1.00 42.15 C ATOM 957 O ALA A 61 5.987 39.296 69.540 1.00 72.14 O ATOM 958 CB ALA A 61 7.912 41.925 68.856 1.00 20.11 C ATOM 0 H ALA A 61 7.375 42.015 66.450 1.00 50.34 H new ATOM 0 HA ALA A 61 7.955 39.920 68.113 1.00 41.32 H new ATOM 0 HB1 ALA A 61 8.122 41.636 69.886 1.00 20.11 H new ATOM 0 HB2 ALA A 61 8.843 42.193 68.357 1.00 20.11 H new ATOM 0 HB3 ALA A 61 7.237 42.781 68.850 1.00 20.11 H new ATOM 964 N LEU A 62 4.928 41.094 68.698 1.00 52.04 N ATOM 965 CA LEU A 62 3.656 40.782 69.340 1.00 41.25 C ATOM 966 C LEU A 62 2.816 39.858 68.466 1.00 23.11 C ATOM 967 O LEU A 62 2.285 38.852 68.939 1.00 65.53 O ATOM 968 CB LEU A 62 2.883 42.069 69.633 1.00 14.24 C ATOM 969 CG LEU A 62 1.898 42.009 70.801 1.00 33.14 C ATOM 970 CD1 LEU A 62 2.211 43.092 71.821 1.00 50.33 C ATOM 971 CD2 LEU A 62 0.466 42.144 70.300 1.00 44.52 C ATOM 0 H LEU A 62 4.918 41.944 68.134 1.00 52.04 H new ATOM 0 HA LEU A 62 3.867 40.269 70.279 1.00 41.25 H new ATOM 0 HB2 LEU A 62 3.602 42.864 69.831 1.00 14.24 H new ATOM 0 HB3 LEU A 62 2.334 42.352 68.735 1.00 14.24 H new ATOM 0 HG LEU A 62 2.002 41.039 71.288 1.00 33.14 H new ATOM 0 HD11 LEU A 62 1.499 43.033 72.644 1.00 50.33 H new ATOM 0 HD12 LEU A 62 3.222 42.950 72.204 1.00 50.33 H new ATOM 0 HD13 LEU A 62 2.137 44.071 71.347 1.00 50.33 H new ATOM 0 HD21 LEU A 62 -0.221 42.099 71.145 1.00 44.52 H new ATOM 0 HD22 LEU A 62 0.348 43.099 69.787 1.00 44.52 H new ATOM 0 HD23 LEU A 62 0.244 41.331 69.609 1.00 44.52 H new ATOM 983 N TYR A 63 2.702 40.203 67.188 1.00 52.11 N ATOM 984 CA TYR A 63 1.926 39.405 66.247 1.00 22.45 C ATOM 985 C TYR A 63 2.270 37.924 66.375 1.00 42.33 C ATOM 986 O TYR A 63 1.385 37.069 66.408 1.00 61.00 O ATOM 987 CB TYR A 63 2.180 39.876 64.815 1.00 70.53 C ATOM 988 CG TYR A 63 2.168 38.759 63.797 1.00 21.44 C ATOM 989 CD1 TYR A 63 3.272 37.933 63.630 1.00 2.24 C ATOM 990 CD2 TYR A 63 1.051 38.528 63.002 1.00 71.33 C ATOM 991 CE1 TYR A 63 3.265 36.909 62.701 1.00 73.11 C ATOM 992 CE2 TYR A 63 1.035 37.507 62.072 1.00 63.32 C ATOM 993 CZ TYR A 63 2.144 36.701 61.925 1.00 60.12 C ATOM 994 OH TYR A 63 2.132 35.683 60.999 1.00 62.23 O ATOM 0 H TYR A 63 3.137 41.030 66.780 1.00 52.11 H new ATOM 0 HA TYR A 63 0.870 39.536 66.484 1.00 22.45 H new ATOM 0 HB2 TYR A 63 1.422 40.611 64.544 1.00 70.53 H new ATOM 0 HB3 TYR A 63 3.144 40.383 64.774 1.00 70.53 H new ATOM 0 HD1 TYR A 63 4.151 38.093 64.236 1.00 2.24 H new ATOM 0 HD2 TYR A 63 0.181 39.158 63.114 1.00 71.33 H new ATOM 0 HE1 TYR A 63 4.132 36.276 62.584 1.00 73.11 H new ATOM 0 HE2 TYR A 63 0.159 37.341 61.463 1.00 63.32 H new ATOM 0 HH TYR A 63 1.216 35.352 60.889 1.00 62.23 H new ATOM 1004 N SER A 64 3.565 37.629 66.448 1.00 12.55 N ATOM 1005 CA SER A 64 4.029 36.252 66.570 1.00 30.45 C ATOM 1006 C SER A 64 3.841 35.739 67.995 1.00 32.32 C ATOM 1007 O SER A 64 3.251 34.680 68.212 1.00 43.44 O ATOM 1008 CB SER A 64 5.502 36.151 66.170 1.00 53.12 C ATOM 1009 OG SER A 64 5.755 34.955 65.453 1.00 54.41 O ATOM 0 H SER A 64 4.310 38.325 66.425 1.00 12.55 H new ATOM 0 HA SER A 64 3.434 35.633 65.898 1.00 30.45 H new ATOM 0 HB2 SER A 64 5.776 37.010 65.558 1.00 53.12 H new ATOM 0 HB3 SER A 64 6.127 36.183 67.062 1.00 53.12 H new ATOM 0 HG SER A 64 6.703 34.915 65.207 1.00 54.41 H new ATOM 1015 N HIS A 65 4.346 36.498 68.962 1.00 32.33 N ATOM 1016 CA HIS A 65 4.234 36.122 70.366 1.00 12.24 C ATOM 1017 C HIS A 65 2.808 35.694 70.702 1.00 33.20 C ATOM 1018 O HIS A 65 2.595 34.709 71.410 1.00 35.15 O ATOM 1019 CB HIS A 65 4.653 37.286 71.263 1.00 75.11 C ATOM 1020 CG HIS A 65 4.502 37.000 72.726 1.00 73.44 C ATOM 1021 ND1 HIS A 65 3.906 37.878 73.607 1.00 35.14 N ATOM 1022 CD2 HIS A 65 4.873 35.927 73.461 1.00 21.15 C ATOM 1023 CE1 HIS A 65 3.917 37.356 74.821 1.00 63.14 C ATOM 1024 NE2 HIS A 65 4.499 36.172 74.760 1.00 24.54 N ATOM 0 H HIS A 65 4.837 37.377 68.799 1.00 32.33 H new ATOM 0 HA HIS A 65 4.900 35.278 70.544 1.00 12.24 H new ATOM 0 HB2 HIS A 65 5.693 37.537 71.056 1.00 75.11 H new ATOM 0 HB3 HIS A 65 4.057 38.162 71.009 1.00 75.11 H new ATOM 0 HD1 HIS A 65 3.517 38.788 73.360 1.00 35.14 H new ATOM 0 HD2 HIS A 65 5.371 35.042 73.095 1.00 21.15 H new ATOM 0 HE1 HIS A 65 3.518 37.819 75.711 1.00 63.14 H new ATOM 1032 N LEU A 66 1.835 36.440 70.190 1.00 41.40 N ATOM 1033 CA LEU A 66 0.430 36.139 70.436 1.00 21.12 C ATOM 1034 C LEU A 66 0.005 34.876 69.692 1.00 41.13 C ATOM 1035 O LEU A 66 -0.497 33.929 70.295 1.00 53.44 O ATOM 1036 CB LEU A 66 -0.448 37.316 70.006 1.00 61.43 C ATOM 1037 CG LEU A 66 -1.897 37.286 70.493 1.00 72.14 C ATOM 1038 CD1 LEU A 66 -2.044 38.084 71.779 1.00 73.24 C ATOM 1039 CD2 LEU A 66 -2.832 37.824 69.419 1.00 44.04 C ATOM 0 H LEU A 66 1.994 37.258 69.602 1.00 41.40 H new ATOM 0 HA LEU A 66 0.303 35.970 71.505 1.00 21.12 H new ATOM 0 HB2 LEU A 66 0.014 38.237 70.361 1.00 61.43 H new ATOM 0 HB3 LEU A 66 -0.453 37.361 68.917 1.00 61.43 H new ATOM 0 HG LEU A 66 -2.170 36.251 70.699 1.00 72.14 H new ATOM 0 HD11 LEU A 66 -3.082 38.052 72.111 1.00 73.24 H new ATOM 0 HD12 LEU A 66 -1.403 37.654 72.549 1.00 73.24 H new ATOM 0 HD13 LEU A 66 -1.752 39.119 71.600 1.00 73.24 H new ATOM 0 HD21 LEU A 66 -3.859 37.795 69.783 1.00 44.04 H new ATOM 0 HD22 LEU A 66 -2.560 38.852 69.182 1.00 44.04 H new ATOM 0 HD23 LEU A 66 -2.748 37.210 68.522 1.00 44.04 H new ATOM 1051 N GLU A 67 0.213 34.870 68.379 1.00 51.14 N ATOM 1052 CA GLU A 67 -0.147 33.723 67.554 1.00 41.42 C ATOM 1053 C GLU A 67 0.552 32.459 68.046 1.00 43.13 C ATOM 1054 O GLU A 67 0.035 31.353 67.897 1.00 1.04 O ATOM 1055 CB GLU A 67 0.217 33.985 66.092 1.00 65.40 C ATOM 1056 CG GLU A 67 -0.615 33.182 65.104 1.00 73.31 C ATOM 1057 CD GLU A 67 0.114 32.926 63.800 1.00 64.43 C ATOM 1058 OE1 GLU A 67 0.932 33.782 63.400 1.00 30.42 O ATOM 1059 OE2 GLU A 67 -0.132 31.872 63.178 1.00 34.25 O ATOM 0 H GLU A 67 0.629 35.646 67.864 1.00 51.14 H new ATOM 0 HA GLU A 67 -1.224 33.575 67.631 1.00 41.42 H new ATOM 0 HB2 GLU A 67 0.093 35.047 65.880 1.00 65.40 H new ATOM 0 HB3 GLU A 67 1.271 33.751 65.941 1.00 65.40 H new ATOM 0 HG2 GLU A 67 -0.889 32.229 65.556 1.00 73.31 H new ATOM 0 HG3 GLU A 67 -1.543 33.716 64.898 1.00 73.31 H new ATOM 1066 N ALA A 68 1.733 32.632 68.631 1.00 63.22 N ATOM 1067 CA ALA A 68 2.504 31.507 69.145 1.00 64.14 C ATOM 1068 C ALA A 68 2.058 31.135 70.555 1.00 72.44 C ATOM 1069 O ALA A 68 1.588 30.023 70.793 1.00 75.13 O ATOM 1070 CB ALA A 68 3.990 31.833 69.128 1.00 20.22 C ATOM 0 H ALA A 68 2.177 33.541 68.761 1.00 63.22 H new ATOM 0 HA ALA A 68 2.325 30.649 68.497 1.00 64.14 H new ATOM 0 HB1 ALA A 68 4.553 30.984 69.515 1.00 20.22 H new ATOM 0 HB2 ALA A 68 4.305 32.042 68.106 1.00 20.22 H new ATOM 0 HB3 ALA A 68 4.178 32.707 69.752 1.00 20.22 H new ATOM 1076 N GLN A 69 2.211 32.073 71.485 1.00 22.34 N ATOM 1077 CA GLN A 69 1.824 31.842 72.872 1.00 62.22 C ATOM 1078 C GLN A 69 0.337 31.524 72.977 1.00 32.24 C ATOM 1079 O GLN A 69 -0.056 30.557 73.631 1.00 25.20 O ATOM 1080 CB GLN A 69 2.158 33.066 73.727 1.00 61.40 C ATOM 1081 CG GLN A 69 2.574 32.721 75.147 1.00 43.33 C ATOM 1082 CD GLN A 69 1.675 33.355 76.190 1.00 43.25 C ATOM 1083 OE1 GLN A 69 0.591 32.850 76.482 1.00 62.01 O ATOM 1084 NE2 GLN A 69 2.122 34.469 76.759 1.00 65.33 N ATOM 0 H GLN A 69 2.600 32.998 71.303 1.00 22.34 H new ATOM 0 HA GLN A 69 2.386 30.985 73.242 1.00 62.22 H new ATOM 0 HB2 GLN A 69 2.961 33.625 73.248 1.00 61.40 H new ATOM 0 HB3 GLN A 69 1.289 33.723 73.761 1.00 61.40 H new ATOM 0 HG2 GLN A 69 2.561 31.638 75.272 1.00 43.33 H new ATOM 0 HG3 GLN A 69 3.601 33.049 75.310 1.00 43.33 H new ATOM 0 HE21 GLN A 69 3.027 34.853 76.487 1.00 65.33 H new ATOM 0 HE22 GLN A 69 1.560 34.940 77.468 1.00 65.33 H new ATOM 1093 N TRP A 70 -0.486 32.342 72.330 1.00 51.54 N ATOM 1094 CA TRP A 70 -1.930 32.148 72.352 1.00 13.15 C ATOM 1095 C TRP A 70 -2.308 30.806 71.733 1.00 33.05 C ATOM 1096 O TRP A 70 -3.188 30.107 72.234 1.00 35.54 O ATOM 1097 CB TRP A 70 -2.630 33.283 71.603 1.00 54.45 C ATOM 1098 CG TRP A 70 -4.096 33.376 71.902 1.00 73.30 C ATOM 1099 CD1 TRP A 70 -5.067 32.494 71.522 1.00 23.20 C ATOM 1100 CD2 TRP A 70 -4.756 34.410 72.640 1.00 74.40 C ATOM 1101 NE1 TRP A 70 -6.292 32.918 71.980 1.00 44.34 N ATOM 1102 CE2 TRP A 70 -6.128 34.090 72.669 1.00 71.14 C ATOM 1103 CE3 TRP A 70 -4.323 35.574 73.280 1.00 52.42 C ATOM 1104 CZ2 TRP A 70 -7.066 34.893 73.312 1.00 51.42 C ATOM 1105 CZ3 TRP A 70 -5.255 36.369 73.918 1.00 74.12 C ATOM 1106 CH2 TRP A 70 -6.614 36.027 73.931 1.00 1.52 C ATOM 0 H TRP A 70 -0.177 33.146 71.784 1.00 51.54 H new ATOM 0 HA TRP A 70 -2.256 32.153 73.392 1.00 13.15 H new ATOM 0 HB2 TRP A 70 -2.153 34.228 71.862 1.00 54.45 H new ATOM 0 HB3 TRP A 70 -2.493 33.140 70.531 1.00 54.45 H new ATOM 0 HD1 TRP A 70 -4.898 31.596 70.947 1.00 23.20 H new ATOM 0 HE1 TRP A 70 -7.179 32.437 71.831 1.00 44.34 H new ATOM 0 HE3 TRP A 70 -3.278 35.847 73.276 1.00 52.42 H new ATOM 0 HZ2 TRP A 70 -8.114 34.630 73.322 1.00 51.42 H new ATOM 0 HZ3 TRP A 70 -4.931 37.271 74.416 1.00 74.12 H new ATOM 0 HH2 TRP A 70 -7.318 36.670 74.439 1.00 1.52 H new ATOM 1117 N ALA A 71 -1.638 30.453 70.642 1.00 45.42 N ATOM 1118 CA ALA A 71 -1.901 29.193 69.957 1.00 30.11 C ATOM 1119 C ALA A 71 -2.024 28.043 70.951 1.00 24.30 C ATOM 1120 O ALA A 71 -2.841 27.139 70.773 1.00 44.03 O ATOM 1121 CB ALA A 71 -0.805 28.903 68.944 1.00 63.13 C ATOM 0 H ALA A 71 -0.908 31.022 70.213 1.00 45.42 H new ATOM 0 HA ALA A 71 -2.851 29.286 69.430 1.00 30.11 H new ATOM 0 HB1 ALA A 71 -1.015 27.959 68.441 1.00 63.13 H new ATOM 0 HB2 ALA A 71 -0.768 29.706 68.208 1.00 63.13 H new ATOM 0 HB3 ALA A 71 0.155 28.835 69.456 1.00 63.13 H new ATOM 1127 N LYS A 72 -1.206 28.082 71.998 1.00 24.52 N ATOM 1128 CA LYS A 72 -1.222 27.043 73.020 1.00 31.15 C ATOM 1129 C LYS A 72 -2.627 26.856 73.585 1.00 65.43 C ATOM 1130 O LYS A 72 -3.041 25.738 73.886 1.00 43.52 O ATOM 1131 CB LYS A 72 -0.250 27.395 74.148 1.00 14.21 C ATOM 1132 CG LYS A 72 0.784 26.316 74.419 1.00 1.12 C ATOM 1133 CD LYS A 72 1.902 26.345 73.391 1.00 64.14 C ATOM 1134 CE LYS A 72 2.824 27.536 73.605 1.00 61.43 C ATOM 1135 NZ LYS A 72 4.214 27.111 73.929 1.00 11.02 N ATOM 0 H LYS A 72 -0.524 28.823 72.160 1.00 24.52 H new ATOM 0 HA LYS A 72 -0.909 26.107 72.557 1.00 31.15 H new ATOM 0 HB2 LYS A 72 0.263 28.323 73.897 1.00 14.21 H new ATOM 0 HB3 LYS A 72 -0.817 27.580 75.060 1.00 14.21 H new ATOM 0 HG2 LYS A 72 1.202 26.453 75.416 1.00 1.12 H new ATOM 0 HG3 LYS A 72 0.303 25.338 74.407 1.00 1.12 H new ATOM 0 HD2 LYS A 72 2.478 25.422 73.452 1.00 64.14 H new ATOM 0 HD3 LYS A 72 1.475 26.389 72.389 1.00 64.14 H new ATOM 0 HE2 LYS A 72 2.833 28.154 72.707 1.00 61.43 H new ATOM 0 HE3 LYS A 72 2.436 28.155 74.414 1.00 61.43 H new ATOM 0 HZ1 LYS A 72 4.811 27.952 74.067 1.00 11.02 H new ATOM 0 HZ2 LYS A 72 4.209 26.543 74.800 1.00 11.02 H new ATOM 0 HZ3 LYS A 72 4.594 26.542 73.146 1.00 11.02 H new ATOM 1149 N GLN A 73 -3.355 27.960 73.722 1.00 71.31 N ATOM 1150 CA GLN A 73 -4.714 27.916 74.249 1.00 55.21 C ATOM 1151 C GLN A 73 -5.565 26.912 73.479 1.00 72.44 C ATOM 1152 O GLN A 73 -6.026 25.916 74.038 1.00 1.32 O ATOM 1153 CB GLN A 73 -5.355 29.304 74.181 1.00 55.10 C ATOM 1154 CG GLN A 73 -4.805 30.279 75.210 1.00 33.43 C ATOM 1155 CD GLN A 73 -5.693 30.395 76.435 1.00 65.51 C ATOM 1156 OE1 GLN A 73 -5.605 29.585 77.358 1.00 62.11 O ATOM 1157 NE2 GLN A 73 -6.553 31.407 76.448 1.00 13.35 N ATOM 0 H GLN A 73 -3.027 28.894 73.476 1.00 71.31 H new ATOM 0 HA GLN A 73 -4.663 27.597 75.290 1.00 55.21 H new ATOM 0 HB2 GLN A 73 -5.203 29.717 73.184 1.00 55.10 H new ATOM 0 HB3 GLN A 73 -6.431 29.206 74.325 1.00 55.10 H new ATOM 0 HG2 GLN A 73 -3.810 29.956 75.516 1.00 33.43 H new ATOM 0 HG3 GLN A 73 -4.694 31.262 74.751 1.00 33.43 H new ATOM 0 HE21 GLN A 73 -6.591 32.054 75.660 1.00 13.35 H new ATOM 0 HE22 GLN A 73 -7.175 31.537 77.246 1.00 13.35 H new ATOM 1166 N HIS A 74 -5.771 27.180 72.194 1.00 62.13 N ATOM 1167 CA HIS A 74 -6.566 26.300 71.346 1.00 35.05 C ATOM 1168 C HIS A 74 -5.914 26.127 69.978 1.00 11.40 C ATOM 1169 O HIS A 74 -5.670 25.006 69.533 1.00 21.42 O ATOM 1170 CB HIS A 74 -7.981 26.856 71.184 1.00 25.42 C ATOM 1171 CG HIS A 74 -8.990 26.197 72.072 1.00 50.21 C ATOM 1172 ND1 HIS A 74 -9.376 26.718 73.289 1.00 40.42 N ATOM 1173 CD2 HIS A 74 -9.696 25.052 71.915 1.00 22.41 C ATOM 1174 CE1 HIS A 74 -10.273 25.923 73.843 1.00 31.54 C ATOM 1175 NE2 HIS A 74 -10.486 24.904 73.029 1.00 63.33 N ATOM 0 H HIS A 74 -5.398 28.001 71.717 1.00 62.13 H new ATOM 0 HA HIS A 74 -6.620 25.324 71.828 1.00 35.05 H new ATOM 0 HB2 HIS A 74 -7.968 27.925 71.394 1.00 25.42 H new ATOM 0 HB3 HIS A 74 -8.292 26.739 70.146 1.00 25.42 H new ATOM 0 HD2 HIS A 74 -9.647 24.380 71.071 1.00 22.41 H new ATOM 0 HE1 HIS A 74 -10.751 26.079 74.799 1.00 31.54 H new ATOM 0 HE2 HIS A 74 -11.132 24.133 73.200 1.00 63.33 H new ATOM 1183 N GLY A 75 -5.634 27.244 69.315 1.00 72.43 N ATOM 1184 CA GLY A 75 -5.015 27.195 68.004 1.00 51.44 C ATOM 1185 C GLY A 75 -6.002 27.459 66.885 1.00 53.05 C ATOM 1186 O GLY A 75 -5.682 27.282 65.709 1.00 1.22 O ATOM 0 H GLY A 75 -5.825 28.184 69.663 1.00 72.43 H new ATOM 0 HA2 GLY A 75 -4.212 27.931 67.957 1.00 51.44 H new ATOM 0 HA3 GLY A 75 -4.559 26.216 67.858 1.00 51.44 H new ATOM 1190 N THR A 76 -7.207 27.883 67.249 1.00 32.02 N ATOM 1191 CA THR A 76 -8.246 28.169 66.268 1.00 71.23 C ATOM 1192 C THR A 76 -8.309 29.660 65.953 1.00 14.25 C ATOM 1193 O THR A 76 -8.131 30.086 64.812 1.00 71.12 O ATOM 1194 CB THR A 76 -9.629 27.701 66.760 1.00 30.11 C ATOM 1195 OG1 THR A 76 -10.533 28.810 66.808 1.00 24.43 O ATOM 1196 CG2 THR A 76 -9.526 27.065 68.138 1.00 22.42 C ATOM 0 H THR A 76 -7.488 28.036 68.217 1.00 32.02 H new ATOM 0 HA THR A 76 -7.986 27.619 65.363 1.00 71.23 H new ATOM 0 HB THR A 76 -10.006 26.955 66.060 1.00 30.11 H new ATOM 0 HG1 THR A 76 -11.410 28.504 67.120 1.00 24.43 H new ATOM 0 HG21 THR A 76 -10.515 26.742 68.465 1.00 22.42 H new ATOM 0 HG22 THR A 76 -8.860 26.203 68.092 1.00 22.42 H new ATOM 0 HG23 THR A 76 -9.130 27.793 68.846 1.00 22.42 H new ATOM 1204 N PRO A 77 -8.569 30.474 66.988 1.00 1.21 N ATOM 1205 CA PRO A 77 -8.660 31.930 66.846 1.00 24.42 C ATOM 1206 C PRO A 77 -7.307 32.570 66.555 1.00 22.24 C ATOM 1207 O PRO A 77 -7.216 33.634 65.944 1.00 42.15 O ATOM 1208 CB PRO A 77 -9.185 32.387 68.209 1.00 33.25 C ATOM 1209 CG PRO A 77 -8.760 31.319 69.156 1.00 41.12 C ATOM 1210 CD PRO A 77 -8.792 30.034 68.375 1.00 34.55 C ATOM 0 HA PRO A 77 -9.297 32.219 66.010 1.00 24.42 H new ATOM 0 HB2 PRO A 77 -8.768 33.354 68.490 1.00 33.25 H new ATOM 0 HB3 PRO A 77 -10.269 32.498 68.199 1.00 33.25 H new ATOM 0 HG2 PRO A 77 -7.760 31.516 69.542 1.00 41.12 H new ATOM 0 HG3 PRO A 77 -9.430 31.270 70.015 1.00 41.12 H new ATOM 0 HD2 PRO A 77 -8.018 29.342 68.707 1.00 34.55 H new ATOM 0 HD3 PRO A 77 -9.747 29.520 68.485 1.00 34.55 H new ATOM 1218 N PRO A 78 -6.230 31.907 67.002 1.00 0.24 N ATOM 1219 CA PRO A 78 -4.861 32.393 66.800 1.00 21.03 C ATOM 1220 C PRO A 78 -4.427 32.312 65.340 1.00 73.35 C ATOM 1221 O PRO A 78 -3.957 31.273 64.878 1.00 24.33 O ATOM 1222 CB PRO A 78 -4.019 31.448 67.661 1.00 21.21 C ATOM 1223 CG PRO A 78 -4.825 30.198 67.752 1.00 42.22 C ATOM 1224 CD PRO A 78 -6.264 30.632 67.738 1.00 21.22 C ATOM 0 HA PRO A 78 -4.757 33.444 67.070 1.00 21.03 H new ATOM 0 HB2 PRO A 78 -3.046 31.260 67.207 1.00 21.21 H new ATOM 0 HB3 PRO A 78 -3.833 31.872 68.648 1.00 21.21 H new ATOM 0 HG2 PRO A 78 -4.610 29.533 66.916 1.00 42.22 H new ATOM 0 HG3 PRO A 78 -4.592 29.649 68.664 1.00 42.22 H new ATOM 0 HD2 PRO A 78 -6.900 29.899 67.242 1.00 21.22 H new ATOM 0 HD3 PRO A 78 -6.654 30.761 68.747 1.00 21.22 H new ATOM 1232 N THR A 79 -4.587 33.418 64.618 1.00 11.21 N ATOM 1233 CA THR A 79 -4.212 33.472 63.211 1.00 52.35 C ATOM 1234 C THR A 79 -3.869 34.896 62.788 1.00 31.24 C ATOM 1235 O THR A 79 -4.399 35.861 63.337 1.00 55.33 O ATOM 1236 CB THR A 79 -5.340 32.938 62.308 1.00 62.14 C ATOM 1237 OG1 THR A 79 -6.506 33.756 62.446 1.00 33.13 O ATOM 1238 CG2 THR A 79 -5.679 31.498 62.661 1.00 33.02 C ATOM 0 H THR A 79 -4.974 34.287 64.985 1.00 11.21 H new ATOM 0 HA THR A 79 -3.332 32.839 63.094 1.00 52.35 H new ATOM 0 HB THR A 79 -4.995 32.970 61.275 1.00 62.14 H new ATOM 0 HG1 THR A 79 -6.927 33.582 63.314 1.00 33.13 H new ATOM 0 HG21 THR A 79 -6.478 31.142 62.010 1.00 33.02 H new ATOM 0 HG22 THR A 79 -4.796 30.873 62.527 1.00 33.02 H new ATOM 0 HG23 THR A 79 -6.006 31.445 63.699 1.00 33.02 H new ATOM 1246 N ALA A 80 -2.981 35.020 61.808 1.00 4.30 N ATOM 1247 CA ALA A 80 -2.569 36.326 61.309 1.00 70.22 C ATOM 1248 C ALA A 80 -3.777 37.222 61.058 1.00 73.34 C ATOM 1249 O ALA A 80 -3.651 38.445 60.990 1.00 71.10 O ATOM 1250 CB ALA A 80 -1.750 36.172 60.036 1.00 10.23 C ATOM 0 H ALA A 80 -2.532 34.231 61.343 1.00 4.30 H new ATOM 0 HA ALA A 80 -1.949 36.799 62.070 1.00 70.22 H new ATOM 0 HB1 ALA A 80 -1.450 37.156 59.675 1.00 10.23 H new ATOM 0 HB2 ALA A 80 -0.862 35.575 60.245 1.00 10.23 H new ATOM 0 HB3 ALA A 80 -2.351 35.674 59.275 1.00 10.23 H new ATOM 1256 N SER A 81 -4.947 36.607 60.920 1.00 45.54 N ATOM 1257 CA SER A 81 -6.177 37.350 60.672 1.00 41.11 C ATOM 1258 C SER A 81 -6.738 37.921 61.970 1.00 60.03 C ATOM 1259 O SER A 81 -7.229 39.050 62.004 1.00 44.22 O ATOM 1260 CB SER A 81 -7.217 36.446 60.007 1.00 70.31 C ATOM 1261 OG SER A 81 -8.511 37.021 60.078 1.00 4.41 O ATOM 0 H SER A 81 -5.069 35.596 60.976 1.00 45.54 H new ATOM 0 HA SER A 81 -5.944 38.178 60.003 1.00 41.11 H new ATOM 0 HB2 SER A 81 -6.946 36.280 58.964 1.00 70.31 H new ATOM 0 HB3 SER A 81 -7.221 35.471 60.494 1.00 70.31 H new ATOM 0 HG SER A 81 -9.158 36.426 59.645 1.00 4.41 H new ATOM 1267 N ASP A 82 -6.661 37.133 63.037 1.00 35.43 N ATOM 1268 CA ASP A 82 -7.161 37.559 64.340 1.00 63.41 C ATOM 1269 C ASP A 82 -6.100 38.355 65.094 1.00 70.52 C ATOM 1270 O ASP A 82 -6.368 39.447 65.595 1.00 53.12 O ATOM 1271 CB ASP A 82 -7.591 36.347 65.166 1.00 51.12 C ATOM 1272 CG ASP A 82 -8.798 35.643 64.577 1.00 42.15 C ATOM 1273 OD1 ASP A 82 -9.858 36.289 64.452 1.00 32.42 O ATOM 1274 OD2 ASP A 82 -8.681 34.446 64.241 1.00 50.42 O ATOM 0 H ASP A 82 -6.257 36.196 63.026 1.00 35.43 H new ATOM 0 HA ASP A 82 -8.026 38.203 64.178 1.00 63.41 H new ATOM 0 HB2 ASP A 82 -6.761 35.644 65.233 1.00 51.12 H new ATOM 0 HB3 ASP A 82 -7.821 36.667 66.182 1.00 51.12 H new ATOM 1279 N VAL A 83 -4.895 37.800 65.172 1.00 44.34 N ATOM 1280 CA VAL A 83 -3.794 38.456 65.865 1.00 65.04 C ATOM 1281 C VAL A 83 -3.766 39.950 65.561 1.00 54.41 C ATOM 1282 O VAL A 83 -3.217 40.741 66.330 1.00 11.04 O ATOM 1283 CB VAL A 83 -2.437 37.840 65.475 1.00 52.44 C ATOM 1284 CG1 VAL A 83 -1.296 38.590 66.145 1.00 55.05 C ATOM 1285 CG2 VAL A 83 -2.400 36.362 65.837 1.00 74.24 C ATOM 0 H VAL A 83 -4.657 36.896 64.763 1.00 44.34 H new ATOM 0 HA VAL A 83 -3.959 38.307 66.932 1.00 65.04 H new ATOM 0 HB VAL A 83 -2.314 37.930 64.396 1.00 52.44 H new ATOM 0 HG11 VAL A 83 -0.346 38.140 65.857 1.00 55.05 H new ATOM 0 HG12 VAL A 83 -1.313 39.634 65.831 1.00 55.05 H new ATOM 0 HG13 VAL A 83 -1.410 38.535 67.228 1.00 55.05 H new ATOM 0 HG21 VAL A 83 -1.434 35.942 65.555 1.00 74.24 H new ATOM 0 HG22 VAL A 83 -2.546 36.247 66.911 1.00 74.24 H new ATOM 0 HG23 VAL A 83 -3.193 35.837 65.305 1.00 74.24 H new ATOM 1295 N VAL A 84 -4.363 40.331 64.436 1.00 45.44 N ATOM 1296 CA VAL A 84 -4.408 41.731 64.032 1.00 61.33 C ATOM 1297 C VAL A 84 -5.055 42.594 65.109 1.00 4.14 C ATOM 1298 O VAL A 84 -4.575 43.683 65.418 1.00 71.34 O ATOM 1299 CB VAL A 84 -5.184 41.908 62.712 1.00 54.45 C ATOM 1300 CG1 VAL A 84 -4.530 41.109 61.596 1.00 44.14 C ATOM 1301 CG2 VAL A 84 -6.638 41.499 62.892 1.00 62.52 C ATOM 0 H VAL A 84 -4.822 39.690 63.789 1.00 45.44 H new ATOM 0 HA VAL A 84 -3.377 42.052 63.886 1.00 61.33 H new ATOM 0 HB VAL A 84 -5.158 42.961 62.433 1.00 54.45 H new ATOM 0 HG11 VAL A 84 -5.092 41.247 60.672 1.00 44.14 H new ATOM 0 HG12 VAL A 84 -3.506 41.455 61.453 1.00 44.14 H new ATOM 0 HG13 VAL A 84 -4.522 40.052 61.862 1.00 44.14 H new ATOM 0 HG21 VAL A 84 -7.172 41.630 61.951 1.00 62.52 H new ATOM 0 HG22 VAL A 84 -6.687 40.453 63.194 1.00 62.52 H new ATOM 0 HG23 VAL A 84 -7.098 42.121 63.660 1.00 62.52 H new ATOM 1311 N GLY A 85 -6.149 42.098 65.680 1.00 25.24 N ATOM 1312 CA GLY A 85 -6.844 42.836 66.717 1.00 54.42 C ATOM 1313 C GLY A 85 -7.020 42.027 67.986 1.00 51.32 C ATOM 1314 O GLY A 85 -7.476 42.547 69.004 1.00 34.44 O ATOM 0 H GLY A 85 -6.566 41.198 65.442 1.00 25.24 H new ATOM 0 HA2 GLY A 85 -6.289 43.746 66.944 1.00 54.42 H new ATOM 0 HA3 GLY A 85 -7.822 43.143 66.347 1.00 54.42 H new ATOM 1318 N MET A 86 -6.656 40.749 67.927 1.00 61.25 N ATOM 1319 CA MET A 86 -6.776 39.867 69.081 1.00 4.41 C ATOM 1320 C MET A 86 -6.001 40.422 70.273 1.00 5.22 C ATOM 1321 O MET A 86 -6.491 40.455 71.401 1.00 10.34 O ATOM 1322 CB MET A 86 -6.267 38.466 68.735 1.00 62.33 C ATOM 1323 CG MET A 86 -6.334 37.490 69.898 1.00 25.11 C ATOM 1324 SD MET A 86 -7.169 35.952 69.466 1.00 22.43 S ATOM 1325 CE MET A 86 -5.862 35.090 68.595 1.00 21.25 C ATOM 0 H MET A 86 -6.276 40.303 67.092 1.00 61.25 H new ATOM 0 HA MET A 86 -7.830 39.806 69.352 1.00 4.41 H new ATOM 0 HB2 MET A 86 -6.853 38.070 67.905 1.00 62.33 H new ATOM 0 HB3 MET A 86 -5.235 38.538 68.391 1.00 62.33 H new ATOM 0 HG2 MET A 86 -5.323 37.267 70.239 1.00 25.11 H new ATOM 0 HG3 MET A 86 -6.855 37.960 70.732 1.00 25.11 H new ATOM 0 HE1 MET A 86 -5.888 34.032 68.855 1.00 21.25 H new ATOM 0 HE2 MET A 86 -6.004 35.204 67.520 1.00 21.25 H new ATOM 0 HE3 MET A 86 -4.897 35.510 68.879 1.00 21.25 H new ATOM 1335 N PRO A 87 -4.762 40.867 70.018 1.00 22.12 N ATOM 1336 CA PRO A 87 -3.893 41.427 71.058 1.00 63.34 C ATOM 1337 C PRO A 87 -4.384 42.783 71.554 1.00 62.40 C ATOM 1338 O PRO A 87 -5.378 43.313 71.058 1.00 23.31 O ATOM 1339 CB PRO A 87 -2.543 41.574 70.351 1.00 42.00 C ATOM 1340 CG PRO A 87 -2.884 41.698 68.906 1.00 72.34 C ATOM 1341 CD PRO A 87 -4.113 40.858 68.696 1.00 32.13 C ATOM 0 HA PRO A 87 -3.859 40.794 71.945 1.00 63.34 H new ATOM 0 HB2 PRO A 87 -2.003 42.451 70.707 1.00 42.00 H new ATOM 0 HB3 PRO A 87 -1.904 40.710 70.534 1.00 42.00 H new ATOM 0 HG2 PRO A 87 -3.072 42.738 68.637 1.00 72.34 H new ATOM 0 HG3 PRO A 87 -2.062 41.350 68.280 1.00 72.34 H new ATOM 0 HD2 PRO A 87 -4.761 41.279 67.927 1.00 32.13 H new ATOM 0 HD3 PRO A 87 -3.859 39.846 68.380 1.00 32.13 H new ATOM 1349 N GLN A 88 -3.681 43.339 72.535 1.00 15.23 N ATOM 1350 CA GLN A 88 -4.047 44.633 73.098 1.00 55.20 C ATOM 1351 C GLN A 88 -3.486 45.773 72.254 1.00 71.00 C ATOM 1352 O GLN A 88 -4.136 46.803 72.074 1.00 62.02 O ATOM 1353 CB GLN A 88 -3.538 44.750 74.536 1.00 71.54 C ATOM 1354 CG GLN A 88 -2.036 44.560 74.668 1.00 24.34 C ATOM 1355 CD GLN A 88 -1.658 43.718 75.870 1.00 2.21 C ATOM 1356 OE1 GLN A 88 -1.459 42.508 75.759 1.00 44.11 O ATOM 1357 NE2 GLN A 88 -1.555 44.356 77.031 1.00 31.32 N ATOM 0 H GLN A 88 -2.855 42.914 72.956 1.00 15.23 H new ATOM 0 HA GLN A 88 -5.135 44.706 73.098 1.00 55.20 H new ATOM 0 HB2 GLN A 88 -3.808 45.730 74.929 1.00 71.54 H new ATOM 0 HB3 GLN A 88 -4.045 44.008 75.153 1.00 71.54 H new ATOM 0 HG2 GLN A 88 -1.652 44.088 73.763 1.00 24.34 H new ATOM 0 HG3 GLN A 88 -1.556 45.535 74.747 1.00 24.34 H new ATOM 0 HE21 GLN A 88 -1.729 45.360 77.078 1.00 31.32 H new ATOM 0 HE22 GLN A 88 -1.302 43.842 77.875 1.00 31.32 H new ATOM 1366 N TRP A 89 -2.277 45.580 71.739 1.00 54.22 N ATOM 1367 CA TRP A 89 -1.628 46.593 70.913 1.00 53.30 C ATOM 1368 C TRP A 89 -2.624 47.229 69.950 1.00 50.23 C ATOM 1369 O TRP A 89 -2.564 48.430 69.687 1.00 64.15 O ATOM 1370 CB TRP A 89 -0.466 45.976 70.133 1.00 61.11 C ATOM 1371 CG TRP A 89 -0.845 45.541 68.750 1.00 61.31 C ATOM 1372 CD1 TRP A 89 -1.217 44.286 68.358 1.00 63.22 C ATOM 1373 CD2 TRP A 89 -0.888 46.359 67.576 1.00 64.32 C ATOM 1374 NE1 TRP A 89 -1.488 44.275 67.011 1.00 11.24 N ATOM 1375 CE2 TRP A 89 -1.295 45.534 66.508 1.00 62.24 C ATOM 1376 CE3 TRP A 89 -0.625 47.707 67.322 1.00 64.25 C ATOM 1377 CZ2 TRP A 89 -1.441 46.016 65.210 1.00 12.21 C ATOM 1378 CZ3 TRP A 89 -0.770 48.184 66.033 1.00 35.44 C ATOM 1379 CH2 TRP A 89 -1.177 47.340 64.990 1.00 54.23 C ATOM 0 H TRP A 89 -1.726 44.733 71.878 1.00 54.22 H new ATOM 0 HA TRP A 89 -1.241 47.371 71.571 1.00 53.30 H new ATOM 0 HB2 TRP A 89 0.345 46.701 70.069 1.00 61.11 H new ATOM 0 HB3 TRP A 89 -0.083 45.117 70.684 1.00 61.11 H new ATOM 0 HD1 TRP A 89 -1.288 43.429 69.011 1.00 63.22 H new ATOM 0 HE1 TRP A 89 -1.785 43.461 66.473 1.00 11.24 H new ATOM 0 HE3 TRP A 89 -0.314 48.365 68.119 1.00 64.25 H new ATOM 0 HZ2 TRP A 89 -1.752 45.367 64.405 1.00 12.21 H new ATOM 0 HZ3 TRP A 89 -0.566 49.224 65.826 1.00 35.44 H new ATOM 0 HH2 TRP A 89 -1.284 47.743 63.994 1.00 54.23 H new ATOM 1390 N GLN A 90 -3.537 46.418 69.429 1.00 32.53 N ATOM 1391 CA GLN A 90 -4.545 46.903 68.493 1.00 51.24 C ATOM 1392 C GLN A 90 -5.366 48.028 69.114 1.00 72.44 C ATOM 1393 O GLN A 90 -5.593 49.063 68.487 1.00 32.25 O ATOM 1394 CB GLN A 90 -5.466 45.760 68.064 1.00 74.42 C ATOM 1395 CG GLN A 90 -6.705 46.226 67.315 1.00 31.12 C ATOM 1396 CD GLN A 90 -7.970 46.094 68.140 1.00 45.12 C ATOM 1397 OE1 GLN A 90 -7.926 46.099 69.371 1.00 25.53 O ATOM 1398 NE2 GLN A 90 -9.107 45.974 67.465 1.00 30.45 N ATOM 0 H GLN A 90 -3.600 45.422 69.638 1.00 32.53 H new ATOM 0 HA GLN A 90 -4.031 47.294 67.615 1.00 51.24 H new ATOM 0 HB2 GLN A 90 -4.906 45.071 67.431 1.00 74.42 H new ATOM 0 HB3 GLN A 90 -5.774 45.201 68.948 1.00 74.42 H new ATOM 0 HG2 GLN A 90 -6.576 47.267 67.019 1.00 31.12 H new ATOM 0 HG3 GLN A 90 -6.811 45.645 66.399 1.00 31.12 H new ATOM 0 HE21 GLN A 90 -9.097 45.975 66.445 1.00 30.45 H new ATOM 0 HE22 GLN A 90 -9.990 45.881 67.966 1.00 30.45 H new ATOM 1407 N GLU A 91 -5.808 47.819 70.350 1.00 32.23 N ATOM 1408 CA GLU A 91 -6.606 48.816 71.054 1.00 54.24 C ATOM 1409 C GLU A 91 -5.714 49.888 71.675 1.00 43.35 C ATOM 1410 O GLU A 91 -5.950 51.084 71.504 1.00 23.50 O ATOM 1411 CB GLU A 91 -7.452 48.150 72.142 1.00 60.43 C ATOM 1412 CG GLU A 91 -8.863 48.706 72.241 1.00 62.02 C ATOM 1413 CD GLU A 91 -9.619 48.166 73.440 1.00 22.34 C ATOM 1414 OE1 GLU A 91 -9.162 48.392 74.580 1.00 4.52 O ATOM 1415 OE2 GLU A 91 -10.667 47.519 73.237 1.00 11.35 O ATOM 0 H GLU A 91 -5.627 46.969 70.884 1.00 32.23 H new ATOM 0 HA GLU A 91 -7.267 49.292 70.329 1.00 54.24 H new ATOM 0 HB2 GLU A 91 -7.505 47.079 71.945 1.00 60.43 H new ATOM 0 HB3 GLU A 91 -6.954 48.272 73.104 1.00 60.43 H new ATOM 0 HG2 GLU A 91 -8.818 49.793 72.304 1.00 62.02 H new ATOM 0 HG3 GLU A 91 -9.411 48.462 71.331 1.00 62.02 H new ATOM 1422 N TYR A 92 -4.688 49.449 72.396 1.00 60.22 N ATOM 1423 CA TYR A 92 -3.761 50.369 73.045 1.00 74.42 C ATOM 1424 C TYR A 92 -3.313 51.462 72.079 1.00 75.44 C ATOM 1425 O TYR A 92 -3.563 52.648 72.304 1.00 24.33 O ATOM 1426 CB TYR A 92 -2.542 49.611 73.573 1.00 52.11 C ATOM 1427 CG TYR A 92 -2.540 49.442 75.076 1.00 22.24 C ATOM 1428 CD1 TYR A 92 -2.560 50.546 75.919 1.00 34.02 C ATOM 1429 CD2 TYR A 92 -2.516 48.178 75.652 1.00 1.31 C ATOM 1430 CE1 TYR A 92 -2.557 50.397 77.293 1.00 23.45 C ATOM 1431 CE2 TYR A 92 -2.515 48.019 77.024 1.00 50.32 C ATOM 1432 CZ TYR A 92 -2.535 49.131 77.840 1.00 11.22 C ATOM 1433 OH TYR A 92 -2.532 48.976 79.207 1.00 54.30 O ATOM 0 H TYR A 92 -4.477 48.462 72.546 1.00 60.22 H new ATOM 0 HA TYR A 92 -4.280 50.837 73.881 1.00 74.42 H new ATOM 0 HB2 TYR A 92 -2.505 48.627 73.105 1.00 52.11 H new ATOM 0 HB3 TYR A 92 -1.637 50.140 73.274 1.00 52.11 H new ATOM 0 HD1 TYR A 92 -2.578 51.538 75.493 1.00 34.02 H new ATOM 0 HD2 TYR A 92 -2.498 47.305 75.016 1.00 1.31 H new ATOM 0 HE1 TYR A 92 -2.572 51.266 77.934 1.00 23.45 H new ATOM 0 HE2 TYR A 92 -2.499 47.029 77.456 1.00 50.32 H new ATOM 0 HH TYR A 92 -2.517 48.021 79.428 1.00 54.30 H new ATOM 1443 N THR A 93 -2.650 51.056 71.001 1.00 63.04 N ATOM 1444 CA THR A 93 -2.167 51.999 70.000 1.00 72.15 C ATOM 1445 C THR A 93 -3.237 53.026 69.650 1.00 43.02 C ATOM 1446 O THR A 93 -2.928 54.166 69.305 1.00 0.22 O ATOM 1447 CB THR A 93 -1.725 51.276 68.714 1.00 42.44 C ATOM 1448 OG1 THR A 93 -1.276 52.230 67.745 1.00 20.12 O ATOM 1449 CG2 THR A 93 -2.868 50.456 68.135 1.00 43.54 C ATOM 0 H THR A 93 -2.435 50.080 70.799 1.00 63.04 H new ATOM 0 HA THR A 93 -1.307 52.509 70.435 1.00 72.15 H new ATOM 0 HB THR A 93 -0.906 50.602 68.965 1.00 42.44 H new ATOM 0 HG1 THR A 93 -0.956 53.035 68.203 1.00 20.12 H new ATOM 0 HG21 THR A 93 -2.533 49.954 67.227 1.00 43.54 H new ATOM 0 HG22 THR A 93 -3.187 49.711 68.864 1.00 43.54 H new ATOM 0 HG23 THR A 93 -3.704 51.114 67.898 1.00 43.54 H new ATOM 1457 N ALA A 94 -4.498 52.615 69.741 1.00 42.54 N ATOM 1458 CA ALA A 94 -5.614 53.500 69.437 1.00 60.33 C ATOM 1459 C ALA A 94 -5.875 54.470 70.584 1.00 74.33 C ATOM 1460 O ALA A 94 -6.143 55.651 70.364 1.00 25.23 O ATOM 1461 CB ALA A 94 -6.865 52.689 69.135 1.00 12.04 C ATOM 0 H ALA A 94 -4.771 51.674 70.023 1.00 42.54 H new ATOM 0 HA ALA A 94 -5.351 54.084 68.555 1.00 60.33 H new ATOM 0 HB1 ALA A 94 -7.691 53.364 68.910 1.00 12.04 H new ATOM 0 HB2 ALA A 94 -6.681 52.042 68.277 1.00 12.04 H new ATOM 0 HB3 ALA A 94 -7.121 52.079 70.001 1.00 12.04 H new ATOM 1467 N MET A 95 -5.795 53.963 71.811 1.00 70.44 N ATOM 1468 CA MET A 95 -6.022 54.786 72.993 1.00 42.12 C ATOM 1469 C MET A 95 -5.022 55.936 73.056 1.00 74.13 C ATOM 1470 O MET A 95 -5.272 56.955 73.702 1.00 5.51 O ATOM 1471 CB MET A 95 -5.918 53.935 74.261 1.00 22.31 C ATOM 1472 CG MET A 95 -7.188 53.933 75.097 1.00 61.23 C ATOM 1473 SD MET A 95 -7.213 52.607 76.318 1.00 31.02 S ATOM 1474 CE MET A 95 -8.544 53.154 77.385 1.00 61.40 C ATOM 0 H MET A 95 -5.575 52.987 72.012 1.00 70.44 H new ATOM 0 HA MET A 95 -7.026 55.205 72.926 1.00 42.12 H new ATOM 0 HB2 MET A 95 -5.675 52.910 73.982 1.00 22.31 H new ATOM 0 HB3 MET A 95 -5.093 54.304 74.870 1.00 22.31 H new ATOM 0 HG2 MET A 95 -7.285 54.892 75.606 1.00 61.23 H new ATOM 0 HG3 MET A 95 -8.051 53.832 74.439 1.00 61.23 H new ATOM 0 HE1 MET A 95 -8.682 52.435 78.193 1.00 61.40 H new ATOM 0 HE2 MET A 95 -8.296 54.129 77.805 1.00 61.40 H new ATOM 0 HE3 MET A 95 -9.465 53.232 76.807 1.00 61.40 H new ATOM 1484 N LEU A 96 -3.889 55.767 72.382 1.00 33.11 N ATOM 1485 CA LEU A 96 -2.851 56.791 72.361 1.00 62.14 C ATOM 1486 C LEU A 96 -3.315 58.022 71.589 1.00 33.54 C ATOM 1487 O LEU A 96 -3.304 59.136 72.112 1.00 72.10 O ATOM 1488 CB LEU A 96 -1.571 56.234 71.735 1.00 51.05 C ATOM 1489 CG LEU A 96 -1.205 54.800 72.119 1.00 54.10 C ATOM 1490 CD1 LEU A 96 0.032 54.345 71.362 1.00 4.10 C ATOM 1491 CD2 LEU A 96 -0.984 54.690 73.620 1.00 52.41 C ATOM 0 H LEU A 96 -3.666 54.930 71.843 1.00 33.11 H new ATOM 0 HA LEU A 96 -2.646 57.087 73.390 1.00 62.14 H new ATOM 0 HB2 LEU A 96 -1.669 56.285 70.651 1.00 51.05 H new ATOM 0 HB3 LEU A 96 -0.742 56.886 72.011 1.00 51.05 H new ATOM 0 HG LEU A 96 -2.034 54.148 71.845 1.00 54.10 H new ATOM 0 HD11 LEU A 96 0.278 53.322 71.648 1.00 4.10 H new ATOM 0 HD12 LEU A 96 -0.162 54.386 70.290 1.00 4.10 H new ATOM 0 HD13 LEU A 96 0.868 55.000 71.604 1.00 4.10 H new ATOM 0 HD21 LEU A 96 -0.724 53.663 73.875 1.00 52.41 H new ATOM 0 HD22 LEU A 96 -0.173 55.354 73.918 1.00 52.41 H new ATOM 0 HD23 LEU A 96 -1.897 54.974 74.144 1.00 52.41 H new ATOM 1503 N ARG A 97 -3.725 57.812 70.342 1.00 3.22 N ATOM 1504 CA ARG A 97 -4.193 58.904 69.497 1.00 13.31 C ATOM 1505 C ARG A 97 -5.598 59.340 69.904 1.00 74.42 C ATOM 1506 O ARG A 97 -5.945 60.517 69.805 1.00 42.41 O ATOM 1507 CB ARG A 97 -4.185 58.480 68.027 1.00 50.22 C ATOM 1508 CG ARG A 97 -4.928 57.181 67.764 1.00 2.42 C ATOM 1509 CD ARG A 97 -4.071 56.198 66.982 1.00 4.25 C ATOM 1510 NE ARG A 97 -3.791 56.673 65.629 1.00 44.53 N ATOM 1511 CZ ARG A 97 -4.610 56.489 64.601 1.00 25.14 C ATOM 1512 NH1 ARG A 97 -5.757 55.843 64.769 1.00 44.43 N ATOM 1513 NH2 ARG A 97 -4.285 56.950 63.400 1.00 44.05 N ATOM 0 H ARG A 97 -3.742 56.895 69.895 1.00 3.22 H new ATOM 0 HA ARG A 97 -3.516 59.748 69.628 1.00 13.31 H new ATOM 0 HB2 ARG A 97 -4.632 59.272 67.427 1.00 50.22 H new ATOM 0 HB3 ARG A 97 -3.153 58.372 67.694 1.00 50.22 H new ATOM 0 HG2 ARG A 97 -5.225 56.732 68.712 1.00 2.42 H new ATOM 0 HG3 ARG A 97 -5.843 57.390 67.209 1.00 2.42 H new ATOM 0 HD2 ARG A 97 -3.132 56.035 67.511 1.00 4.25 H new ATOM 0 HD3 ARG A 97 -4.579 55.235 66.930 1.00 4.25 H new ATOM 0 HE ARG A 97 -2.918 57.174 65.465 1.00 44.53 H new ATOM 0 HH11 ARG A 97 -6.011 55.486 65.690 1.00 44.43 H new ATOM 0 HH12 ARG A 97 -6.384 55.703 63.977 1.00 44.43 H new ATOM 0 HH21 ARG A 97 -3.404 57.447 63.266 1.00 44.05 H new ATOM 0 HH22 ARG A 97 -4.916 56.808 62.611 1.00 44.05 H new ATOM 1527 N GLU A 98 -6.401 58.384 70.361 1.00 4.14 N ATOM 1528 CA GLU A 98 -7.768 58.671 70.780 1.00 1.32 C ATOM 1529 C GLU A 98 -7.783 59.401 72.119 1.00 15.34 C ATOM 1530 O GLU A 98 -8.426 60.441 72.264 1.00 1.31 O ATOM 1531 CB GLU A 98 -8.574 57.375 70.883 1.00 34.54 C ATOM 1532 CG GLU A 98 -10.000 57.583 71.368 1.00 34.12 C ATOM 1533 CD GLU A 98 -10.998 56.706 70.638 1.00 14.44 C ATOM 1534 OE1 GLU A 98 -10.772 55.479 70.572 1.00 20.42 O ATOM 1535 OE2 GLU A 98 -12.006 57.245 70.134 1.00 40.31 O ATOM 0 H GLU A 98 -6.129 57.405 70.450 1.00 4.14 H new ATOM 0 HA GLU A 98 -8.225 59.316 70.029 1.00 1.32 H new ATOM 0 HB2 GLU A 98 -8.598 56.893 69.906 1.00 34.54 H new ATOM 0 HB3 GLU A 98 -8.064 56.692 71.563 1.00 34.54 H new ATOM 0 HG2 GLU A 98 -10.051 57.373 72.436 1.00 34.12 H new ATOM 0 HG3 GLU A 98 -10.276 58.629 71.235 1.00 34.12 H new ATOM 1542 N ARG A 99 -7.072 58.848 73.097 1.00 42.20 N ATOM 1543 CA ARG A 99 -7.006 59.445 74.425 1.00 52.03 C ATOM 1544 C ARG A 99 -5.863 60.453 74.512 1.00 1.25 C ATOM 1545 O ARG A 99 -6.060 61.595 74.927 1.00 44.14 O ATOM 1546 CB ARG A 99 -6.823 58.359 75.487 1.00 21.10 C ATOM 1547 CG ARG A 99 -7.275 58.782 76.876 1.00 21.23 C ATOM 1548 CD ARG A 99 -8.770 58.574 77.062 1.00 11.21 C ATOM 1549 NE ARG A 99 -9.062 57.391 77.868 1.00 52.52 N ATOM 1550 CZ ARG A 99 -10.257 56.814 77.921 1.00 44.02 C ATOM 1551 NH1 ARG A 99 -11.267 57.308 77.217 1.00 44.21 N ATOM 1552 NH2 ARG A 99 -10.443 55.740 78.678 1.00 62.12 N ATOM 0 H ARG A 99 -6.534 57.988 72.994 1.00 42.20 H new ATOM 0 HA ARG A 99 -7.945 59.968 74.607 1.00 52.03 H new ATOM 0 HB2 ARG A 99 -7.381 57.472 75.187 1.00 21.10 H new ATOM 0 HB3 ARG A 99 -5.771 58.076 75.527 1.00 21.10 H new ATOM 0 HG2 ARG A 99 -6.731 58.210 77.627 1.00 21.23 H new ATOM 0 HG3 ARG A 99 -7.030 59.832 77.036 1.00 21.23 H new ATOM 0 HD2 ARG A 99 -9.202 59.454 77.540 1.00 11.21 H new ATOM 0 HD3 ARG A 99 -9.246 58.475 76.087 1.00 11.21 H new ATOM 0 HE ARG A 99 -8.306 56.986 78.421 1.00 52.52 H new ATOM 0 HH11 ARG A 99 -11.127 58.133 76.633 1.00 44.21 H new ATOM 0 HH12 ARG A 99 -12.184 56.863 77.259 1.00 44.21 H new ATOM 0 HH21 ARG A 99 -9.668 55.357 79.220 1.00 62.12 H new ATOM 0 HH22 ARG A 99 -11.361 55.297 78.718 1.00 62.12 H new ATOM 1566 N PHE A 100 -4.669 60.021 74.118 1.00 74.42 N ATOM 1567 CA PHE A 100 -3.495 60.886 74.152 1.00 23.12 C ATOM 1568 C PHE A 100 -3.389 61.606 75.493 1.00 24.12 C ATOM 1569 O PHE A 100 -2.929 62.745 75.563 1.00 13.11 O ATOM 1570 CB PHE A 100 -3.555 61.908 73.015 1.00 65.24 C ATOM 1571 CG PHE A 100 -4.741 62.826 73.095 1.00 2.32 C ATOM 1572 CD1 PHE A 100 -5.954 62.462 72.534 1.00 73.11 C ATOM 1573 CD2 PHE A 100 -4.643 64.053 73.731 1.00 12.14 C ATOM 1574 CE1 PHE A 100 -7.048 63.304 72.607 1.00 63.20 C ATOM 1575 CE2 PHE A 100 -5.733 64.898 73.807 1.00 55.21 C ATOM 1576 CZ PHE A 100 -6.937 64.525 73.243 1.00 3.34 C ATOM 0 H PHE A 100 -4.489 59.078 73.772 1.00 74.42 H new ATOM 0 HA PHE A 100 -2.611 60.262 74.024 1.00 23.12 H new ATOM 0 HB2 PHE A 100 -2.643 62.505 73.025 1.00 65.24 H new ATOM 0 HB3 PHE A 100 -3.579 61.379 72.062 1.00 65.24 H new ATOM 0 HD1 PHE A 100 -6.046 61.509 72.034 1.00 73.11 H new ATOM 0 HD2 PHE A 100 -3.704 64.352 74.172 1.00 12.14 H new ATOM 0 HE1 PHE A 100 -7.989 63.007 72.167 1.00 63.20 H new ATOM 0 HE2 PHE A 100 -5.644 65.851 74.308 1.00 55.21 H new ATOM 0 HZ PHE A 100 -7.789 65.186 73.299 1.00 3.34 H new ATOM 1586 N ALA A 101 -3.817 60.931 76.555 1.00 71.02 N ATOM 1587 CA ALA A 101 -3.769 61.505 77.894 1.00 44.44 C ATOM 1588 C ALA A 101 -2.533 62.380 78.073 1.00 72.34 C ATOM 1589 O ALA A 101 -2.638 63.597 78.220 1.00 63.12 O ATOM 1590 CB ALA A 101 -3.792 60.401 78.942 1.00 72.15 C ATOM 0 H ALA A 101 -4.201 59.987 76.514 1.00 71.02 H new ATOM 0 HA ALA A 101 -4.649 62.134 78.024 1.00 44.44 H new ATOM 0 HB1 ALA A 101 -3.756 60.843 79.937 1.00 72.15 H new ATOM 0 HB2 ALA A 101 -4.707 59.819 78.837 1.00 72.15 H new ATOM 0 HB3 ALA A 101 -2.929 59.749 78.803 1.00 72.15 H new ATOM 1596 N GLY A 102 -1.361 61.753 78.059 1.00 2.53 N ATOM 1597 CA GLY A 102 -0.122 62.490 78.221 1.00 4.22 C ATOM 1598 C GLY A 102 1.064 61.774 77.604 1.00 30.53 C ATOM 1599 O GLY A 102 2.177 61.836 78.127 1.00 11.43 O ATOM 0 H GLY A 102 -1.248 60.747 77.938 1.00 2.53 H new ATOM 0 HA2 GLY A 102 -0.226 63.474 77.764 1.00 4.22 H new ATOM 0 HA3 GLY A 102 0.066 62.650 79.283 1.00 4.22 H new ATOM 1603 N LEU A 103 0.826 61.092 76.489 1.00 12.53 N ATOM 1604 CA LEU A 103 1.884 60.360 75.801 1.00 12.14 C ATOM 1605 C LEU A 103 2.715 61.295 74.929 1.00 24.13 C ATOM 1606 O LEU A 103 3.803 60.935 74.478 1.00 74.41 O ATOM 1607 CB LEU A 103 1.283 59.243 74.943 1.00 72.12 C ATOM 1608 CG LEU A 103 0.207 59.670 73.944 1.00 64.11 C ATOM 1609 CD1 LEU A 103 0.837 60.052 72.613 1.00 41.03 C ATOM 1610 CD2 LEU A 103 -0.814 58.559 73.752 1.00 74.01 C ATOM 0 H LEU A 103 -0.089 61.031 76.042 1.00 12.53 H new ATOM 0 HA LEU A 103 2.537 59.920 76.555 1.00 12.14 H new ATOM 0 HB2 LEU A 103 2.091 58.760 74.393 1.00 72.12 H new ATOM 0 HB3 LEU A 103 0.856 58.491 75.607 1.00 72.12 H new ATOM 0 HG LEU A 103 -0.307 60.544 74.345 1.00 64.11 H new ATOM 0 HD11 LEU A 103 0.057 60.353 71.914 1.00 41.03 H new ATOM 0 HD12 LEU A 103 1.530 60.880 72.763 1.00 41.03 H new ATOM 0 HD13 LEU A 103 1.377 59.197 72.207 1.00 41.03 H new ATOM 0 HD21 LEU A 103 -1.572 58.881 73.038 1.00 74.01 H new ATOM 0 HD22 LEU A 103 -0.314 57.667 73.374 1.00 74.01 H new ATOM 0 HD23 LEU A 103 -1.288 58.332 74.707 1.00 74.01 H new