USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 GLN : amide:sc= -1.28 K(o=-4.3,f=-3) USER MOD Set 1.2: A 39 ASN : amide:sc= -3.05! C(o=-4.3!,f=-4.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.238 K(o=-0.24,f=-1.6) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl -115:sc= -2.13! (180deg=-4.44!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 45 THR OG1 : rot 77:sc= 0.842 USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00162 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) USER MOD Single : A 69 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.14) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0.203 X(o=0.2,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.51! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0238 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 156:sc= -2.93 (180deg=-3.87!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -8.97! C(o=-9!,f=-14!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 64:sc= -2.44! USER MOD Single : A 95 MET CE :methyl 173:sc= -0.0181 (180deg=-0.164) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 15.680 48.751 68.587 1.00 21.23 N ATOM 249 CA LYS A 17 15.499 47.517 67.831 1.00 10.40 C ATOM 250 C LYS A 17 14.019 47.245 67.580 1.00 53.01 C ATOM 251 O LYS A 17 13.157 48.010 68.010 1.00 54.21 O ATOM 252 CB LYS A 17 16.124 46.339 68.582 1.00 3.22 C ATOM 253 CG LYS A 17 17.577 46.563 68.964 1.00 14.14 C ATOM 254 CD LYS A 17 17.901 45.941 70.312 1.00 52.23 C ATOM 255 CE LYS A 17 18.864 44.772 70.170 1.00 30.32 C ATOM 256 NZ LYS A 17 20.233 45.120 70.641 1.00 62.21 N ATOM 0 HA LYS A 17 15.998 47.633 66.869 1.00 10.40 H new ATOM 0 HB2 LYS A 17 15.545 46.147 69.485 1.00 3.22 H new ATOM 0 HB3 LYS A 17 16.054 45.445 67.962 1.00 3.22 H new ATOM 0 HG2 LYS A 17 18.225 46.135 68.199 1.00 14.14 H new ATOM 0 HG3 LYS A 17 17.785 47.632 68.996 1.00 14.14 H new ATOM 0 HD2 LYS A 17 18.337 46.696 70.967 1.00 52.23 H new ATOM 0 HD3 LYS A 17 16.981 45.600 70.787 1.00 52.23 H new ATOM 0 HE2 LYS A 17 18.489 43.922 70.740 1.00 30.32 H new ATOM 0 HE3 LYS A 17 18.907 44.462 69.126 1.00 30.32 H new ATOM 0 HZ1 LYS A 17 20.859 44.297 70.528 1.00 62.21 H new ATOM 0 HZ2 LYS A 17 20.601 45.915 70.081 1.00 62.21 H new ATOM 0 HZ3 LYS A 17 20.196 45.391 71.644 1.00 62.21 H new ATOM 270 N TRP A 18 13.734 46.152 66.882 1.00 55.21 N ATOM 271 CA TRP A 18 12.358 45.779 66.575 1.00 35.42 C ATOM 272 C TRP A 18 11.504 45.757 67.839 1.00 60.35 C ATOM 273 O TRP A 18 12.002 45.996 68.939 1.00 14.10 O ATOM 274 CB TRP A 18 12.317 44.410 65.894 1.00 62.31 C ATOM 275 CG TRP A 18 13.405 44.219 64.881 1.00 61.41 C ATOM 276 CD1 TRP A 18 13.940 45.173 64.062 1.00 54.24 C ATOM 277 CD2 TRP A 18 14.088 42.998 64.577 1.00 22.24 C ATOM 278 NE1 TRP A 18 14.915 44.619 63.268 1.00 33.32 N ATOM 279 CE2 TRP A 18 15.025 43.286 63.565 1.00 32.23 C ATOM 280 CE3 TRP A 18 14.001 41.691 65.061 1.00 13.32 C ATOM 281 CZ2 TRP A 18 15.865 42.313 63.031 1.00 42.21 C ATOM 282 CZ3 TRP A 18 14.836 40.726 64.529 1.00 54.42 C ATOM 283 CH2 TRP A 18 15.759 41.041 63.523 1.00 14.10 C ATOM 0 H TRP A 18 14.437 45.509 66.518 1.00 55.21 H new ATOM 0 HA TRP A 18 11.950 46.527 65.895 1.00 35.42 H new ATOM 0 HB2 TRP A 18 12.396 43.632 66.653 1.00 62.31 H new ATOM 0 HB3 TRP A 18 11.350 44.283 65.407 1.00 62.31 H new ATOM 0 HD1 TRP A 18 13.640 46.210 64.042 1.00 54.24 H new ATOM 0 HE1 TRP A 18 15.467 45.119 62.571 1.00 33.32 H new ATOM 0 HE3 TRP A 18 13.294 41.438 65.837 1.00 13.32 H new ATOM 0 HZ2 TRP A 18 16.576 42.554 62.255 1.00 42.21 H new ATOM 0 HZ3 TRP A 18 14.776 39.712 64.895 1.00 54.42 H new ATOM 0 HH2 TRP A 18 16.399 40.265 63.129 1.00 14.10 H new ATOM 294 N LEU A 19 10.218 45.469 67.674 1.00 55.11 N ATOM 295 CA LEU A 19 9.296 45.415 68.803 1.00 75.11 C ATOM 296 C LEU A 19 9.879 44.590 69.945 1.00 64.21 C ATOM 297 O LEU A 19 9.815 44.989 71.108 1.00 14.30 O ATOM 298 CB LEU A 19 7.955 44.823 68.363 1.00 55.24 C ATOM 299 CG LEU A 19 6.855 44.794 69.424 1.00 74.41 C ATOM 300 CD1 LEU A 19 5.534 45.264 68.835 1.00 31.24 C ATOM 301 CD2 LEU A 19 6.712 43.397 70.009 1.00 41.24 C ATOM 0 H LEU A 19 9.790 45.269 66.770 1.00 55.11 H new ATOM 0 HA LEU A 19 9.138 46.433 69.160 1.00 75.11 H new ATOM 0 HB2 LEU A 19 7.592 45.393 67.507 1.00 55.24 H new ATOM 0 HB3 LEU A 19 8.126 43.803 68.018 1.00 55.24 H new ATOM 0 HG LEU A 19 7.135 45.475 70.228 1.00 74.41 H new ATOM 0 HD11 LEU A 19 4.762 45.237 69.604 1.00 31.24 H new ATOM 0 HD12 LEU A 19 5.643 46.284 68.466 1.00 31.24 H new ATOM 0 HD13 LEU A 19 5.249 44.609 68.012 1.00 31.24 H new ATOM 0 HD21 LEU A 19 5.924 43.397 70.762 1.00 41.24 H new ATOM 0 HD22 LEU A 19 6.456 42.695 69.216 1.00 41.24 H new ATOM 0 HD23 LEU A 19 7.654 43.097 70.469 1.00 41.24 H new ATOM 313 N ASP A 20 10.451 43.440 69.605 1.00 20.41 N ATOM 314 CA ASP A 20 11.050 42.560 70.601 1.00 2.24 C ATOM 315 C ASP A 20 12.540 42.370 70.333 1.00 23.24 C ATOM 316 O ASP A 20 12.958 42.197 69.188 1.00 35.03 O ATOM 317 CB ASP A 20 10.342 41.204 70.606 1.00 23.12 C ATOM 318 CG ASP A 20 9.252 41.123 71.656 1.00 51.22 C ATOM 319 OD1 ASP A 20 8.678 42.179 71.998 1.00 2.24 O ATOM 320 OD2 ASP A 20 8.971 40.005 72.135 1.00 65.43 O ATOM 0 H ASP A 20 10.512 43.096 68.647 1.00 20.41 H new ATOM 0 HA ASP A 20 10.932 43.026 71.579 1.00 2.24 H new ATOM 0 HB2 ASP A 20 9.909 41.020 69.623 1.00 23.12 H new ATOM 0 HB3 ASP A 20 11.074 40.416 70.785 1.00 23.12 H new ATOM 325 N GLY A 21 13.337 42.403 71.396 1.00 73.55 N ATOM 326 CA GLY A 21 14.771 42.235 71.254 1.00 60.32 C ATOM 327 C GLY A 21 15.551 42.982 72.318 1.00 52.12 C ATOM 328 O GLY A 21 16.487 42.441 72.908 1.00 23.05 O ATOM 0 H GLY A 21 13.015 42.543 72.354 1.00 73.55 H new ATOM 0 HA2 GLY A 21 15.016 41.174 71.306 1.00 60.32 H new ATOM 0 HA3 GLY A 21 15.079 42.586 70.269 1.00 60.32 H new ATOM 332 N LEU A 22 15.167 44.230 72.565 1.00 23.11 N ATOM 333 CA LEU A 22 15.838 45.053 73.564 1.00 50.14 C ATOM 334 C LEU A 22 15.848 44.361 74.923 1.00 74.13 C ATOM 335 O LEU A 22 15.009 43.504 75.200 1.00 30.40 O ATOM 336 CB LEU A 22 15.150 46.415 73.677 1.00 70.50 C ATOM 337 CG LEU A 22 15.407 47.394 72.532 1.00 20.41 C ATOM 338 CD1 LEU A 22 14.173 47.523 71.652 1.00 74.20 C ATOM 339 CD2 LEU A 22 15.820 48.754 73.076 1.00 64.43 C ATOM 0 H LEU A 22 14.394 44.694 72.087 1.00 23.11 H new ATOM 0 HA LEU A 22 16.870 45.199 73.244 1.00 50.14 H new ATOM 0 HB2 LEU A 22 14.075 46.251 73.754 1.00 70.50 H new ATOM 0 HB3 LEU A 22 15.468 46.884 74.608 1.00 70.50 H new ATOM 0 HG LEU A 22 16.223 47.005 71.923 1.00 20.41 H new ATOM 0 HD11 LEU A 22 14.375 48.224 70.842 1.00 74.20 H new ATOM 0 HD12 LEU A 22 13.921 46.549 71.234 1.00 74.20 H new ATOM 0 HD13 LEU A 22 13.337 47.889 72.249 1.00 74.20 H new ATOM 0 HD21 LEU A 22 15.999 49.438 72.247 1.00 64.43 H new ATOM 0 HD22 LEU A 22 15.025 49.150 73.708 1.00 64.43 H new ATOM 0 HD23 LEU A 22 16.732 48.649 73.663 1.00 64.43 H new ATOM 351 N ARG A 23 16.801 44.740 75.768 1.00 73.41 N ATOM 352 CA ARG A 23 16.918 44.157 77.099 1.00 3.24 C ATOM 353 C ARG A 23 16.027 44.891 78.096 1.00 24.34 C ATOM 354 O ARG A 23 15.253 44.271 78.826 1.00 23.41 O ATOM 355 CB ARG A 23 18.372 44.201 77.571 1.00 43.41 C ATOM 356 CG ARG A 23 18.770 43.012 78.430 1.00 52.34 C ATOM 357 CD ARG A 23 20.166 42.517 78.087 1.00 63.34 C ATOM 358 NE ARG A 23 20.196 41.074 77.860 1.00 35.11 N ATOM 359 CZ ARG A 23 21.148 40.458 77.170 1.00 41.50 C ATOM 360 NH1 ARG A 23 22.145 41.155 76.641 1.00 2.13 N ATOM 361 NH2 ARG A 23 21.105 39.142 77.009 1.00 24.45 N ATOM 0 H ARG A 23 17.503 45.448 75.554 1.00 73.41 H new ATOM 0 HA ARG A 23 16.591 43.119 77.043 1.00 3.24 H new ATOM 0 HB2 ARG A 23 19.026 44.245 76.700 1.00 43.41 H new ATOM 0 HB3 ARG A 23 18.534 45.118 78.138 1.00 43.41 H new ATOM 0 HG2 ARG A 23 18.731 43.293 79.482 1.00 52.34 H new ATOM 0 HG3 ARG A 23 18.052 42.204 78.289 1.00 52.34 H new ATOM 0 HD2 ARG A 23 20.524 43.032 77.195 1.00 63.34 H new ATOM 0 HD3 ARG A 23 20.850 42.771 78.897 1.00 63.34 H new ATOM 0 HE ARG A 23 19.444 40.509 78.254 1.00 35.11 H new ATOM 0 HH11 ARG A 23 22.181 42.167 76.764 1.00 2.13 H new ATOM 0 HH12 ARG A 23 22.875 40.679 76.111 1.00 2.13 H new ATOM 0 HH21 ARG A 23 20.340 38.603 77.415 1.00 24.45 H new ATOM 0 HH22 ARG A 23 21.837 38.669 76.479 1.00 24.45 H new ATOM 449 N GLN A 30 6.981 51.379 76.682 1.00 45.13 N ATOM 450 CA GLN A 30 6.324 50.709 75.566 1.00 5.42 C ATOM 451 C GLN A 30 6.849 51.229 74.232 1.00 42.11 C ATOM 452 O GLN A 30 6.075 51.546 73.330 1.00 2.44 O ATOM 453 CB GLN A 30 4.810 50.907 75.644 1.00 53.31 C ATOM 454 CG GLN A 30 4.212 50.506 76.983 1.00 10.01 C ATOM 455 CD GLN A 30 4.482 49.055 77.330 1.00 54.34 C ATOM 456 OE1 GLN A 30 4.776 48.240 76.457 1.00 12.24 O ATOM 457 NE2 GLN A 30 4.383 48.725 78.613 1.00 52.32 N ATOM 0 HA GLN A 30 6.548 49.644 75.633 1.00 5.42 H new ATOM 0 HB2 GLN A 30 4.579 51.955 75.451 1.00 53.31 H new ATOM 0 HB3 GLN A 30 4.335 50.325 74.854 1.00 53.31 H new ATOM 0 HG2 GLN A 30 4.621 51.145 77.766 1.00 10.01 H new ATOM 0 HG3 GLN A 30 3.136 50.677 76.962 1.00 10.01 H new ATOM 0 HE21 GLN A 30 4.136 49.433 79.304 1.00 52.32 H new ATOM 0 HE22 GLN A 30 4.554 47.763 78.907 1.00 52.32 H new ATOM 466 N GLY A 31 8.171 51.317 74.115 1.00 62.14 N ATOM 467 CA GLY A 31 8.777 51.800 72.889 1.00 70.34 C ATOM 468 C GLY A 31 8.089 51.261 71.650 1.00 12.54 C ATOM 469 O GLY A 31 8.144 51.874 70.584 1.00 72.11 O ATOM 0 H GLY A 31 8.833 51.062 74.848 1.00 62.14 H new ATOM 0 HA2 GLY A 31 8.742 52.889 72.875 1.00 70.34 H new ATOM 0 HA3 GLY A 31 9.829 51.514 72.870 1.00 70.34 H new ATOM 473 N ASP A 32 7.442 50.109 71.790 1.00 21.45 N ATOM 474 CA ASP A 32 6.742 49.485 70.673 1.00 75.50 C ATOM 475 C ASP A 32 5.617 50.385 70.167 1.00 3.30 C ATOM 476 O ASP A 32 5.597 50.774 68.999 1.00 11.31 O ATOM 477 CB ASP A 32 6.176 48.128 71.092 1.00 54.41 C ATOM 478 CG ASP A 32 5.807 48.083 72.563 1.00 24.23 C ATOM 479 OD1 ASP A 32 5.605 49.163 73.156 1.00 1.03 O ATOM 480 OD2 ASP A 32 5.722 46.968 73.119 1.00 24.34 O ATOM 0 H ASP A 32 7.388 49.589 72.666 1.00 21.45 H new ATOM 0 HA ASP A 32 7.458 49.337 69.864 1.00 75.50 H new ATOM 0 HB2 ASP A 32 5.294 47.905 70.492 1.00 54.41 H new ATOM 0 HB3 ASP A 32 6.910 47.351 70.881 1.00 54.41 H new ATOM 485 N VAL A 33 4.682 50.709 71.054 1.00 74.25 N ATOM 486 CA VAL A 33 3.555 51.563 70.698 1.00 21.54 C ATOM 487 C VAL A 33 3.931 53.038 70.785 1.00 13.41 C ATOM 488 O VAL A 33 3.347 53.881 70.104 1.00 3.21 O ATOM 489 CB VAL A 33 2.341 51.300 71.610 1.00 2.02 C ATOM 490 CG1 VAL A 33 1.852 49.869 71.448 1.00 50.10 C ATOM 491 CG2 VAL A 33 2.694 51.590 73.061 1.00 11.20 C ATOM 0 H VAL A 33 4.682 50.393 72.024 1.00 74.25 H new ATOM 0 HA VAL A 33 3.288 51.320 69.670 1.00 21.54 H new ATOM 0 HB VAL A 33 1.534 51.970 71.315 1.00 2.02 H new ATOM 0 HG11 VAL A 33 0.994 49.702 72.100 1.00 50.10 H new ATOM 0 HG12 VAL A 33 1.559 49.700 70.412 1.00 50.10 H new ATOM 0 HG13 VAL A 33 2.652 49.179 71.716 1.00 50.10 H new ATOM 0 HG21 VAL A 33 1.826 51.399 73.692 1.00 11.20 H new ATOM 0 HG22 VAL A 33 3.517 50.945 73.371 1.00 11.20 H new ATOM 0 HG23 VAL A 33 2.993 52.633 73.161 1.00 11.20 H new ATOM 501 N LYS A 34 4.912 53.343 71.628 1.00 53.23 N ATOM 502 CA LYS A 34 5.371 54.716 71.805 1.00 34.43 C ATOM 503 C LYS A 34 5.965 55.261 70.511 1.00 43.23 C ATOM 504 O LYS A 34 5.813 56.441 70.194 1.00 42.55 O ATOM 505 CB LYS A 34 6.407 54.789 72.927 1.00 43.53 C ATOM 506 CG LYS A 34 7.342 55.981 72.815 1.00 72.51 C ATOM 507 CD LYS A 34 7.898 56.382 74.171 1.00 50.03 C ATOM 508 CE LYS A 34 9.386 56.688 74.095 1.00 62.22 C ATOM 509 NZ LYS A 34 10.214 55.465 74.283 1.00 22.25 N ATOM 0 H LYS A 34 5.405 52.657 72.200 1.00 53.23 H new ATOM 0 HA LYS A 34 4.511 55.329 72.075 1.00 34.43 H new ATOM 0 HB2 LYS A 34 5.890 54.832 73.885 1.00 43.53 H new ATOM 0 HB3 LYS A 34 6.998 53.873 72.925 1.00 43.53 H new ATOM 0 HG2 LYS A 34 8.164 55.738 72.141 1.00 72.51 H new ATOM 0 HG3 LYS A 34 6.808 56.824 72.376 1.00 72.51 H new ATOM 0 HD2 LYS A 34 7.364 57.258 74.540 1.00 50.03 H new ATOM 0 HD3 LYS A 34 7.727 55.579 74.888 1.00 50.03 H new ATOM 0 HE2 LYS A 34 9.616 57.137 73.129 1.00 62.22 H new ATOM 0 HE3 LYS A 34 9.645 57.423 74.857 1.00 62.22 H new ATOM 0 HZ1 LYS A 34 11.222 55.716 74.224 1.00 22.25 H new ATOM 0 HZ2 LYS A 34 10.014 55.050 75.216 1.00 22.25 H new ATOM 0 HZ3 LYS A 34 9.985 54.774 73.541 1.00 22.25 H new ATOM 523 N VAL A 35 6.643 54.394 69.765 1.00 51.31 N ATOM 524 CA VAL A 35 7.260 54.788 68.504 1.00 75.20 C ATOM 525 C VAL A 35 6.301 54.584 67.336 1.00 54.14 C ATOM 526 O VAL A 35 6.485 55.156 66.262 1.00 32.21 O ATOM 527 CB VAL A 35 8.552 53.994 68.238 1.00 4.22 C ATOM 528 CG1 VAL A 35 9.468 54.043 69.451 1.00 62.43 C ATOM 529 CG2 VAL A 35 8.225 52.556 67.865 1.00 25.13 C ATOM 0 H VAL A 35 6.779 53.414 70.012 1.00 51.31 H new ATOM 0 HA VAL A 35 7.505 55.847 68.589 1.00 75.20 H new ATOM 0 HB VAL A 35 9.075 54.454 67.399 1.00 4.22 H new ATOM 0 HG11 VAL A 35 10.376 53.476 69.244 1.00 62.43 H new ATOM 0 HG12 VAL A 35 9.728 55.079 69.669 1.00 62.43 H new ATOM 0 HG13 VAL A 35 8.957 53.609 70.310 1.00 62.43 H new ATOM 0 HG21 VAL A 35 9.149 52.009 67.680 1.00 25.13 H new ATOM 0 HG22 VAL A 35 7.680 52.083 68.682 1.00 25.13 H new ATOM 0 HG23 VAL A 35 7.610 52.544 66.965 1.00 25.13 H new ATOM 539 N TRP A 36 5.278 53.765 67.554 1.00 43.51 N ATOM 540 CA TRP A 36 4.290 53.485 66.519 1.00 30.53 C ATOM 541 C TRP A 36 3.894 54.762 65.784 1.00 51.44 C ATOM 542 O TRP A 36 3.523 54.724 64.612 1.00 33.40 O ATOM 543 CB TRP A 36 3.051 52.830 67.132 1.00 55.32 C ATOM 544 CG TRP A 36 1.839 52.913 66.254 1.00 3.24 C ATOM 545 CD1 TRP A 36 1.256 54.046 65.766 1.00 75.42 C ATOM 546 CD2 TRP A 36 1.063 51.815 65.760 1.00 5.14 C ATOM 547 NE1 TRP A 36 0.163 53.720 64.999 1.00 51.04 N ATOM 548 CE2 TRP A 36 0.024 52.357 64.979 1.00 71.43 C ATOM 549 CE3 TRP A 36 1.146 50.427 65.900 1.00 30.44 C ATOM 550 CZ2 TRP A 36 -0.923 51.560 64.343 1.00 31.14 C ATOM 551 CZ3 TRP A 36 0.204 49.636 65.269 1.00 65.04 C ATOM 552 CH2 TRP A 36 -0.818 50.204 64.497 1.00 52.03 C ATOM 0 H TRP A 36 5.111 53.284 68.438 1.00 43.51 H new ATOM 0 HA TRP A 36 4.738 52.798 65.800 1.00 30.53 H new ATOM 0 HB2 TRP A 36 3.268 51.783 67.341 1.00 55.32 H new ATOM 0 HB3 TRP A 36 2.832 53.307 68.087 1.00 55.32 H new ATOM 0 HD1 TRP A 36 1.602 55.051 65.955 1.00 75.42 H new ATOM 0 HE1 TRP A 36 -0.446 54.385 64.522 1.00 51.04 H new ATOM 0 HE3 TRP A 36 1.932 49.980 66.491 1.00 30.44 H new ATOM 0 HZ2 TRP A 36 -1.713 51.996 63.749 1.00 31.14 H new ATOM 0 HZ3 TRP A 36 0.257 48.562 65.373 1.00 65.04 H new ATOM 0 HH2 TRP A 36 -1.537 49.559 64.014 1.00 52.03 H new ATOM 563 N MET A 37 3.977 55.891 66.482 1.00 4.44 N ATOM 564 CA MET A 37 3.629 57.178 65.894 1.00 22.21 C ATOM 565 C MET A 37 4.829 57.792 65.178 1.00 11.01 C ATOM 566 O MET A 37 4.790 58.023 63.970 1.00 34.42 O ATOM 567 CB MET A 37 3.120 58.135 66.973 1.00 50.53 C ATOM 568 CG MET A 37 4.033 58.224 68.185 1.00 41.41 C ATOM 569 SD MET A 37 3.121 58.246 69.741 1.00 72.32 S ATOM 570 CE MET A 37 2.242 56.689 69.641 1.00 2.33 C ATOM 0 H MET A 37 4.282 55.939 67.454 1.00 4.44 H new ATOM 0 HA MET A 37 2.838 57.013 65.163 1.00 22.21 H new ATOM 0 HB2 MET A 37 3.005 59.129 66.541 1.00 50.53 H new ATOM 0 HB3 MET A 37 2.131 57.812 67.296 1.00 50.53 H new ATOM 0 HG2 MET A 37 4.718 57.376 68.182 1.00 41.41 H new ATOM 0 HG3 MET A 37 4.641 59.126 68.112 1.00 41.41 H new ATOM 0 HE1 MET A 37 1.170 56.879 69.584 1.00 2.33 H new ATOM 0 HE2 MET A 37 2.562 56.147 68.751 1.00 2.33 H new ATOM 0 HE3 MET A 37 2.458 56.092 70.527 1.00 2.33 H new ATOM 580 N GLN A 38 5.892 58.052 65.932 1.00 10.54 N ATOM 581 CA GLN A 38 7.102 58.638 65.368 1.00 41.35 C ATOM 582 C GLN A 38 7.554 57.872 64.131 1.00 22.44 C ATOM 583 O GLN A 38 8.092 58.454 63.190 1.00 3.41 O ATOM 584 CB GLN A 38 8.221 58.652 66.412 1.00 25.31 C ATOM 585 CG GLN A 38 8.800 57.276 66.700 1.00 12.32 C ATOM 586 CD GLN A 38 10.211 57.114 66.171 1.00 71.03 C ATOM 587 OE1 GLN A 38 11.166 57.642 66.743 1.00 13.42 O ATOM 588 NE2 GLN A 38 10.352 56.381 65.073 1.00 33.14 N ATOM 0 H GLN A 38 5.940 57.866 66.934 1.00 10.54 H new ATOM 0 HA GLN A 38 6.876 59.663 65.074 1.00 41.35 H new ATOM 0 HB2 GLN A 38 9.020 59.309 66.068 1.00 25.31 H new ATOM 0 HB3 GLN A 38 7.837 59.077 67.339 1.00 25.31 H new ATOM 0 HG2 GLN A 38 8.798 57.103 67.776 1.00 12.32 H new ATOM 0 HG3 GLN A 38 8.159 56.516 66.253 1.00 12.32 H new ATOM 0 HE21 GLN A 38 9.534 55.962 64.631 1.00 33.14 H new ATOM 0 HE22 GLN A 38 11.278 56.237 64.671 1.00 33.14 H new ATOM 597 N ASN A 39 7.331 56.562 64.138 1.00 31.34 N ATOM 598 CA ASN A 39 7.716 55.714 63.015 1.00 73.33 C ATOM 599 C ASN A 39 7.050 56.183 61.726 1.00 62.31 C ATOM 600 O ASN A 39 7.714 56.380 60.706 1.00 3.53 O ATOM 601 CB ASN A 39 7.340 54.258 63.295 1.00 14.14 C ATOM 602 CG ASN A 39 8.478 53.477 63.923 1.00 0.22 C ATOM 603 OD1 ASN A 39 9.610 53.956 63.991 1.00 55.33 O ATOM 604 ND2 ASN A 39 8.183 52.268 64.385 1.00 14.04 N ATOM 0 H ASN A 39 6.886 56.064 64.909 1.00 31.34 H new ATOM 0 HA ASN A 39 8.797 55.786 62.892 1.00 73.33 H new ATOM 0 HB2 ASN A 39 6.475 54.230 63.958 1.00 14.14 H new ATOM 0 HB3 ASN A 39 7.044 53.777 62.363 1.00 14.14 H new ATOM 0 HD21 ASN A 39 8.909 51.696 64.817 1.00 14.04 H new ATOM 0 HD22 ASN A 39 7.231 51.911 64.308 1.00 14.04 H new ATOM 611 N LEU A 40 5.735 56.363 61.777 1.00 33.15 N ATOM 612 CA LEU A 40 4.978 56.811 60.613 1.00 30.12 C ATOM 613 C LEU A 40 5.045 58.328 60.470 1.00 5.41 C ATOM 614 O LEU A 40 4.862 58.866 59.379 1.00 63.51 O ATOM 615 CB LEU A 40 3.519 56.362 60.725 1.00 62.24 C ATOM 616 CG LEU A 40 3.192 55.431 61.893 1.00 10.23 C ATOM 617 CD1 LEU A 40 1.743 54.974 61.820 1.00 54.40 C ATOM 618 CD2 LEU A 40 4.131 54.234 61.900 1.00 34.33 C ATOM 0 H LEU A 40 5.171 56.206 62.612 1.00 33.15 H new ATOM 0 HA LEU A 40 5.424 56.361 59.726 1.00 30.12 H new ATOM 0 HB2 LEU A 40 2.892 57.250 60.807 1.00 62.24 H new ATOM 0 HB3 LEU A 40 3.242 55.860 59.798 1.00 62.24 H new ATOM 0 HG LEU A 40 3.332 55.982 62.823 1.00 10.23 H new ATOM 0 HD11 LEU A 40 1.528 54.312 62.659 1.00 54.40 H new ATOM 0 HD12 LEU A 40 1.085 55.842 61.864 1.00 54.40 H new ATOM 0 HD13 LEU A 40 1.577 54.440 60.884 1.00 54.40 H new ATOM 0 HD21 LEU A 40 3.884 53.582 62.738 1.00 34.33 H new ATOM 0 HD22 LEU A 40 4.023 53.682 60.967 1.00 34.33 H new ATOM 0 HD23 LEU A 40 5.160 54.579 62.000 1.00 34.33 H new ATOM 630 N GLU A 41 5.312 59.011 61.579 1.00 41.11 N ATOM 631 CA GLU A 41 5.406 60.466 61.576 1.00 31.55 C ATOM 632 C GLU A 41 6.418 60.944 60.539 1.00 33.12 C ATOM 633 O GLU A 41 6.137 61.848 59.752 1.00 73.02 O ATOM 634 CB GLU A 41 5.799 60.977 62.964 1.00 22.14 C ATOM 635 CG GLU A 41 5.191 62.325 63.312 1.00 24.45 C ATOM 636 CD GLU A 41 4.657 62.376 64.730 1.00 31.03 C ATOM 637 OE1 GLU A 41 3.947 61.431 65.132 1.00 21.04 O ATOM 638 OE2 GLU A 41 4.951 63.362 65.438 1.00 31.31 O ATOM 0 H GLU A 41 5.467 58.580 62.490 1.00 41.11 H new ATOM 0 HA GLU A 41 4.427 60.867 61.314 1.00 31.55 H new ATOM 0 HB2 GLU A 41 5.492 60.246 63.711 1.00 22.14 H new ATOM 0 HB3 GLU A 41 6.885 61.053 63.020 1.00 22.14 H new ATOM 0 HG2 GLU A 41 5.944 63.103 63.183 1.00 24.45 H new ATOM 0 HG3 GLU A 41 4.382 62.545 62.615 1.00 24.45 H new ATOM 645 N ASP A 42 7.596 60.331 60.546 1.00 70.10 N ATOM 646 CA ASP A 42 8.651 60.692 59.607 1.00 45.01 C ATOM 647 C ASP A 42 8.404 60.058 58.241 1.00 72.24 C ATOM 648 O ASP A 42 8.361 60.749 57.223 1.00 35.31 O ATOM 649 CB ASP A 42 10.015 60.256 60.146 1.00 22.31 C ATOM 650 CG ASP A 42 10.976 61.419 60.296 1.00 15.42 C ATOM 651 OD1 ASP A 42 10.563 62.462 60.844 1.00 61.55 O ATOM 652 OD2 ASP A 42 12.141 61.285 59.867 1.00 40.43 O ATOM 0 H ASP A 42 7.844 59.582 61.192 1.00 70.10 H new ATOM 0 HA ASP A 42 8.644 61.776 59.491 1.00 45.01 H new ATOM 0 HB2 ASP A 42 9.882 59.771 61.113 1.00 22.31 H new ATOM 0 HB3 ASP A 42 10.448 59.515 59.474 1.00 22.31 H new ATOM 657 N LEU A 43 8.245 58.740 58.227 1.00 34.34 N ATOM 658 CA LEU A 43 8.002 58.011 56.986 1.00 52.43 C ATOM 659 C LEU A 43 6.816 58.603 56.231 1.00 0.32 C ATOM 660 O LEU A 43 6.953 59.047 55.091 1.00 23.41 O ATOM 661 CB LEU A 43 7.748 56.533 57.282 1.00 12.24 C ATOM 662 CG LEU A 43 8.228 55.544 56.219 1.00 30.05 C ATOM 663 CD1 LEU A 43 7.682 55.924 54.851 1.00 3.33 C ATOM 664 CD2 LEU A 43 9.749 55.487 56.191 1.00 13.20 C ATOM 0 H LEU A 43 8.280 58.153 59.061 1.00 34.34 H new ATOM 0 HA LEU A 43 8.889 58.102 56.359 1.00 52.43 H new ATOM 0 HB2 LEU A 43 8.232 56.284 58.226 1.00 12.24 H new ATOM 0 HB3 LEU A 43 6.677 56.390 57.425 1.00 12.24 H new ATOM 0 HG LEU A 43 7.852 54.554 56.476 1.00 30.05 H new ATOM 0 HD11 LEU A 43 8.034 55.209 54.107 1.00 3.33 H new ATOM 0 HD12 LEU A 43 6.592 55.913 54.878 1.00 3.33 H new ATOM 0 HD13 LEU A 43 8.028 56.923 54.586 1.00 3.33 H new ATOM 0 HD21 LEU A 43 10.073 54.778 55.429 1.00 13.20 H new ATOM 0 HD22 LEU A 43 10.146 56.475 55.959 1.00 13.20 H new ATOM 0 HD23 LEU A 43 10.119 55.167 57.165 1.00 13.20 H new ATOM 676 N HIS A 44 5.653 58.605 56.874 1.00 11.34 N ATOM 677 CA HIS A 44 4.443 59.144 56.264 1.00 4.00 C ATOM 678 C HIS A 44 4.738 60.452 55.536 1.00 65.24 C ATOM 679 O HIS A 44 4.169 60.730 54.480 1.00 64.32 O ATOM 680 CB HIS A 44 3.367 59.370 57.326 1.00 4.44 C ATOM 681 CG HIS A 44 2.022 59.698 56.755 1.00 75.00 C ATOM 682 ND1 HIS A 44 1.209 58.759 56.155 1.00 12.52 N ATOM 683 CD2 HIS A 44 1.347 60.870 56.697 1.00 14.31 C ATOM 684 CE1 HIS A 44 0.093 59.339 55.752 1.00 63.41 C ATOM 685 NE2 HIS A 44 0.151 60.620 56.069 1.00 42.41 N ATOM 0 H HIS A 44 5.523 58.239 57.817 1.00 11.34 H new ATOM 0 HA HIS A 44 4.078 58.418 55.537 1.00 4.00 H new ATOM 0 HB2 HIS A 44 3.283 58.475 57.942 1.00 4.44 H new ATOM 0 HB3 HIS A 44 3.681 60.181 57.983 1.00 4.44 H new ATOM 0 HD2 HIS A 44 1.686 61.824 57.074 1.00 14.31 H new ATOM 0 HE1 HIS A 44 -0.728 58.849 55.249 1.00 63.41 H new ATOM 0 HE2 HIS A 44 -0.574 61.311 55.878 1.00 42.41 H new ATOM 693 N THR A 45 5.632 61.254 56.108 1.00 23.42 N ATOM 694 CA THR A 45 6.001 62.532 55.515 1.00 61.54 C ATOM 695 C THR A 45 6.499 62.353 54.085 1.00 53.53 C ATOM 696 O THR A 45 6.171 63.143 53.200 1.00 21.11 O ATOM 697 CB THR A 45 7.091 63.242 56.341 1.00 12.34 C ATOM 698 OG1 THR A 45 6.694 63.314 57.715 1.00 15.42 O ATOM 699 CG2 THR A 45 7.349 64.643 55.809 1.00 4.33 C ATOM 0 H THR A 45 6.113 61.040 56.981 1.00 23.42 H new ATOM 0 HA THR A 45 5.101 63.148 55.509 1.00 61.54 H new ATOM 0 HB THR A 45 8.012 62.665 56.258 1.00 12.34 H new ATOM 0 HG1 THR A 45 6.821 62.439 58.138 1.00 15.42 H new ATOM 0 HG21 THR A 45 8.122 65.123 56.409 1.00 4.33 H new ATOM 0 HG22 THR A 45 7.679 64.583 54.772 1.00 4.33 H new ATOM 0 HG23 THR A 45 6.431 65.228 55.865 1.00 4.33 H new ATOM 707 N ARG A 46 7.293 61.310 53.867 1.00 52.34 N ATOM 708 CA ARG A 46 7.838 61.027 52.545 1.00 31.00 C ATOM 709 C ARG A 46 6.947 60.046 51.789 1.00 14.41 C ATOM 710 O ARG A 46 6.355 60.390 50.766 1.00 13.41 O ATOM 711 CB ARG A 46 9.254 60.461 52.663 1.00 54.11 C ATOM 712 CG ARG A 46 9.932 60.232 51.323 1.00 31.43 C ATOM 713 CD ARG A 46 10.012 58.751 50.985 1.00 70.44 C ATOM 714 NE ARG A 46 11.366 58.227 51.141 1.00 52.15 N ATOM 715 CZ ARG A 46 12.341 58.434 50.263 1.00 60.23 C ATOM 716 NH1 ARG A 46 12.112 59.152 49.171 1.00 75.22 N ATOM 717 NH2 ARG A 46 13.547 57.925 50.475 1.00 1.21 N ATOM 0 H ARG A 46 7.573 60.647 54.589 1.00 52.34 H new ATOM 0 HA ARG A 46 7.875 61.963 51.987 1.00 31.00 H new ATOM 0 HB2 ARG A 46 9.861 61.145 53.256 1.00 54.11 H new ATOM 0 HB3 ARG A 46 9.215 59.517 53.207 1.00 54.11 H new ATOM 0 HG2 ARG A 46 9.382 60.756 50.541 1.00 31.43 H new ATOM 0 HG3 ARG A 46 10.936 60.656 51.345 1.00 31.43 H new ATOM 0 HD2 ARG A 46 9.331 58.195 51.630 1.00 70.44 H new ATOM 0 HD3 ARG A 46 9.679 58.595 49.959 1.00 70.44 H new ATOM 0 HE ARG A 46 11.575 57.671 51.970 1.00 52.15 H new ATOM 0 HH11 ARG A 46 11.186 59.546 49.005 1.00 75.22 H new ATOM 0 HH12 ARG A 46 12.862 59.310 48.498 1.00 75.22 H new ATOM 0 HH21 ARG A 46 13.727 57.373 51.314 1.00 1.21 H new ATOM 0 HH22 ARG A 46 14.294 58.085 49.799 1.00 1.21 H new ATOM 731 N ARG A 47 6.858 58.822 52.300 1.00 60.30 N ATOM 732 CA ARG A 47 6.041 57.790 51.673 1.00 5.32 C ATOM 733 C ARG A 47 4.896 57.371 52.588 1.00 12.53 C ATOM 734 O ARG A 47 5.102 56.792 53.656 1.00 13.21 O ATOM 735 CB ARG A 47 6.900 56.572 51.324 1.00 25.50 C ATOM 736 CG ARG A 47 6.327 55.725 50.199 1.00 22.23 C ATOM 737 CD ARG A 47 6.532 56.385 48.844 1.00 42.32 C ATOM 738 NE ARG A 47 5.424 56.116 47.932 1.00 25.25 N ATOM 739 CZ ARG A 47 5.178 56.836 46.842 1.00 40.22 C ATOM 740 NH1 ARG A 47 5.958 57.863 46.532 1.00 12.01 N ATOM 741 NH2 ARG A 47 4.151 56.529 46.060 1.00 53.30 N ATOM 0 H ARG A 47 7.342 58.521 53.146 1.00 60.30 H new ATOM 0 HA ARG A 47 5.618 58.204 50.758 1.00 5.32 H new ATOM 0 HB2 ARG A 47 7.897 56.910 51.041 1.00 25.50 H new ATOM 0 HB3 ARG A 47 7.014 55.951 52.213 1.00 25.50 H new ATOM 0 HG2 ARG A 47 6.802 54.744 50.203 1.00 22.23 H new ATOM 0 HG3 ARG A 47 5.262 55.564 50.369 1.00 22.23 H new ATOM 0 HD2 ARG A 47 6.639 57.462 48.977 1.00 42.32 H new ATOM 0 HD3 ARG A 47 7.461 56.025 48.402 1.00 42.32 H new ATOM 0 HE ARG A 47 4.805 55.333 48.143 1.00 25.25 H new ATOM 0 HH11 ARG A 47 6.749 58.102 47.131 1.00 12.01 H new ATOM 0 HH12 ARG A 47 5.767 58.414 45.695 1.00 12.01 H new ATOM 0 HH21 ARG A 47 3.549 55.740 46.295 1.00 53.30 H new ATOM 0 HH22 ARG A 47 3.963 57.082 45.224 1.00 53.30 H new ATOM 755 N PRO A 48 3.659 57.669 52.165 1.00 62.10 N ATOM 756 CA PRO A 48 2.456 57.334 52.932 1.00 0.43 C ATOM 757 C PRO A 48 2.189 55.832 52.963 1.00 71.22 C ATOM 758 O PRO A 48 1.730 55.295 53.971 1.00 1.33 O ATOM 759 CB PRO A 48 1.339 58.060 52.178 1.00 65.23 C ATOM 760 CG PRO A 48 1.849 58.195 50.784 1.00 54.05 C ATOM 761 CD PRO A 48 3.339 58.358 50.903 1.00 24.31 C ATOM 0 HA PRO A 48 2.544 57.630 53.977 1.00 0.43 H new ATOM 0 HB2 PRO A 48 0.409 57.493 52.206 1.00 65.23 H new ATOM 0 HB3 PRO A 48 1.131 59.035 52.620 1.00 65.23 H new ATOM 0 HG2 PRO A 48 1.599 57.316 50.190 1.00 54.05 H new ATOM 0 HG3 PRO A 48 1.401 59.055 50.286 1.00 54.05 H new ATOM 0 HD2 PRO A 48 3.861 57.910 50.057 1.00 24.31 H new ATOM 0 HD3 PRO A 48 3.627 59.409 50.935 1.00 24.31 H new ATOM 769 N ASP A 49 2.479 55.162 51.853 1.00 34.43 N ATOM 770 CA ASP A 49 2.270 53.722 51.754 1.00 62.02 C ATOM 771 C ASP A 49 3.256 52.968 52.642 1.00 74.00 C ATOM 772 O ASP A 49 2.862 52.107 53.428 1.00 41.42 O ATOM 773 CB ASP A 49 2.419 53.263 50.303 1.00 22.32 C ATOM 774 CG ASP A 49 2.220 51.768 50.145 1.00 70.41 C ATOM 775 OD1 ASP A 49 1.135 51.273 50.511 1.00 13.11 O ATOM 776 OD2 ASP A 49 3.151 51.094 49.656 1.00 0.24 O ATOM 0 H ASP A 49 2.859 55.592 51.010 1.00 34.43 H new ATOM 0 HA ASP A 49 1.259 53.502 52.095 1.00 62.02 H new ATOM 0 HB2 ASP A 49 1.695 53.791 49.682 1.00 22.32 H new ATOM 0 HB3 ASP A 49 3.410 53.535 49.939 1.00 22.32 H new ATOM 781 N GLU A 50 4.536 53.298 52.510 1.00 2.11 N ATOM 782 CA GLU A 50 5.577 52.650 53.299 1.00 35.20 C ATOM 783 C GLU A 50 5.484 53.063 54.765 1.00 74.30 C ATOM 784 O GLU A 50 6.121 52.465 55.632 1.00 13.42 O ATOM 785 CB GLU A 50 6.960 53.000 52.746 1.00 41.35 C ATOM 786 CG GLU A 50 7.619 51.861 51.988 1.00 23.32 C ATOM 787 CD GLU A 50 6.784 51.380 50.816 1.00 74.03 C ATOM 788 OE1 GLU A 50 6.388 52.225 49.986 1.00 1.13 O ATOM 789 OE2 GLU A 50 6.528 50.162 50.730 1.00 0.44 O ATOM 0 H GLU A 50 4.877 54.010 51.864 1.00 2.11 H new ATOM 0 HA GLU A 50 5.430 51.572 53.233 1.00 35.20 H new ATOM 0 HB2 GLU A 50 6.870 53.861 52.084 1.00 41.35 H new ATOM 0 HB3 GLU A 50 7.607 53.298 53.571 1.00 41.35 H new ATOM 0 HG2 GLU A 50 8.594 52.187 51.625 1.00 23.32 H new ATOM 0 HG3 GLU A 50 7.794 51.029 52.670 1.00 23.32 H new ATOM 796 N PHE A 51 4.686 54.091 55.034 1.00 55.12 N ATOM 797 CA PHE A 51 4.510 54.586 56.395 1.00 33.31 C ATOM 798 C PHE A 51 4.368 53.430 57.381 1.00 1.33 C ATOM 799 O PHE A 51 4.861 53.494 58.507 1.00 42.14 O ATOM 800 CB PHE A 51 3.279 55.492 56.476 1.00 65.03 C ATOM 801 CG PHE A 51 2.017 54.760 56.829 1.00 11.13 C ATOM 802 CD1 PHE A 51 1.542 53.740 56.020 1.00 54.12 C ATOM 803 CD2 PHE A 51 1.305 55.091 57.970 1.00 12.10 C ATOM 804 CE1 PHE A 51 0.380 53.063 56.342 1.00 41.54 C ATOM 805 CE2 PHE A 51 0.143 54.417 58.299 1.00 73.53 C ATOM 806 CZ PHE A 51 -0.320 53.403 57.483 1.00 33.15 C ATOM 0 H PHE A 51 4.151 54.597 54.328 1.00 55.12 H new ATOM 0 HA PHE A 51 5.396 55.162 56.662 1.00 33.31 H new ATOM 0 HB2 PHE A 51 3.458 56.269 57.219 1.00 65.03 H new ATOM 0 HB3 PHE A 51 3.143 55.993 55.517 1.00 65.03 H new ATOM 0 HD1 PHE A 51 2.086 53.470 55.127 1.00 54.12 H new ATOM 0 HD2 PHE A 51 1.661 55.885 58.610 1.00 12.10 H new ATOM 0 HE1 PHE A 51 0.021 52.270 55.703 1.00 41.54 H new ATOM 0 HE2 PHE A 51 -0.402 54.683 59.193 1.00 73.53 H new ATOM 0 HZ PHE A 51 -1.228 52.877 57.737 1.00 33.15 H new ATOM 816 N THR A 52 3.691 52.371 56.948 1.00 73.00 N ATOM 817 CA THR A 52 3.482 51.200 57.792 1.00 64.14 C ATOM 818 C THR A 52 4.713 50.301 57.798 1.00 24.25 C ATOM 819 O THR A 52 4.952 49.567 58.755 1.00 13.33 O ATOM 820 CB THR A 52 2.265 50.381 57.324 1.00 74.12 C ATOM 821 OG1 THR A 52 2.108 49.222 58.150 1.00 1.53 O ATOM 822 CG2 THR A 52 2.422 49.958 55.871 1.00 13.01 C ATOM 0 H THR A 52 3.278 52.300 56.018 1.00 73.00 H new ATOM 0 HA THR A 52 3.298 51.566 58.802 1.00 64.14 H new ATOM 0 HB THR A 52 1.378 51.009 57.408 1.00 74.12 H new ATOM 0 HG1 THR A 52 1.331 48.707 57.847 1.00 1.53 H new ATOM 0 HG21 THR A 52 1.550 49.381 55.564 1.00 13.01 H new ATOM 0 HG22 THR A 52 2.511 50.844 55.242 1.00 13.01 H new ATOM 0 HG23 THR A 52 3.318 49.346 55.765 1.00 13.01 H new ATOM 830 N ALA A 53 5.492 50.364 56.722 1.00 52.22 N ATOM 831 CA ALA A 53 6.700 49.557 56.606 1.00 55.33 C ATOM 832 C ALA A 53 7.650 49.820 57.769 1.00 54.01 C ATOM 833 O ALA A 53 8.533 49.011 58.058 1.00 73.00 O ATOM 834 CB ALA A 53 7.395 49.836 55.282 1.00 24.20 C ATOM 0 H ALA A 53 5.308 50.965 55.919 1.00 52.22 H new ATOM 0 HA ALA A 53 6.410 48.507 56.638 1.00 55.33 H new ATOM 0 HB1 ALA A 53 8.296 49.227 55.208 1.00 24.20 H new ATOM 0 HB2 ALA A 53 6.723 49.591 54.460 1.00 24.20 H new ATOM 0 HB3 ALA A 53 7.665 50.891 55.228 1.00 24.20 H new ATOM 840 N ARG A 54 7.465 50.956 58.434 1.00 53.01 N ATOM 841 CA ARG A 54 8.307 51.326 59.565 1.00 53.01 C ATOM 842 C ARG A 54 7.854 50.613 60.836 1.00 71.44 C ATOM 843 O ARG A 54 8.581 49.788 61.391 1.00 52.34 O ATOM 844 CB ARG A 54 8.275 52.841 59.779 1.00 23.02 C ATOM 845 CG ARG A 54 9.393 53.353 60.672 1.00 23.44 C ATOM 846 CD ARG A 54 10.208 54.435 59.979 1.00 4.24 C ATOM 847 NE ARG A 54 11.581 54.007 59.726 1.00 22.24 N ATOM 848 CZ ARG A 54 11.926 53.193 58.735 1.00 41.30 C ATOM 849 NH1 ARG A 54 11.003 52.720 57.908 1.00 54.44 N ATOM 850 NH2 ARG A 54 13.198 52.849 58.569 1.00 73.33 N ATOM 0 H ARG A 54 6.739 51.636 58.209 1.00 53.01 H new ATOM 0 HA ARG A 54 9.329 51.019 59.340 1.00 53.01 H new ATOM 0 HB2 ARG A 54 8.338 53.338 58.811 1.00 23.02 H new ATOM 0 HB3 ARG A 54 7.316 53.117 60.217 1.00 23.02 H new ATOM 0 HG2 ARG A 54 8.970 53.749 61.595 1.00 23.44 H new ATOM 0 HG3 ARG A 54 10.046 52.526 60.950 1.00 23.44 H new ATOM 0 HD2 ARG A 54 9.731 54.700 59.035 1.00 4.24 H new ATOM 0 HD3 ARG A 54 10.216 55.334 60.596 1.00 4.24 H new ATOM 0 HE ARG A 54 12.315 54.352 60.344 1.00 22.24 H new ATOM 0 HH11 ARG A 54 10.025 52.981 58.032 1.00 54.44 H new ATOM 0 HH12 ARG A 54 11.271 52.095 57.148 1.00 54.44 H new ATOM 0 HH21 ARG A 54 13.911 53.210 59.203 1.00 73.33 H new ATOM 0 HH22 ARG A 54 13.462 52.224 57.808 1.00 73.33 H new ATOM 864 N LEU A 55 6.649 50.937 61.293 1.00 42.13 N ATOM 865 CA LEU A 55 6.099 50.329 62.499 1.00 30.31 C ATOM 866 C LEU A 55 5.789 48.852 62.271 1.00 53.24 C ATOM 867 O LEU A 55 6.035 48.017 63.140 1.00 0.34 O ATOM 868 CB LEU A 55 4.831 51.067 62.933 1.00 2.33 C ATOM 869 CG LEU A 55 3.512 50.505 62.400 1.00 15.44 C ATOM 870 CD1 LEU A 55 2.382 50.777 63.382 1.00 24.15 C ATOM 871 CD2 LEU A 55 3.192 51.097 61.037 1.00 72.24 C ATOM 0 H LEU A 55 6.034 51.617 60.846 1.00 42.13 H new ATOM 0 HA LEU A 55 6.846 50.407 63.289 1.00 30.31 H new ATOM 0 HB2 LEU A 55 4.789 51.067 64.022 1.00 2.33 H new ATOM 0 HB3 LEU A 55 4.914 52.107 62.617 1.00 2.33 H new ATOM 0 HG LEU A 55 3.617 49.426 62.288 1.00 15.44 H new ATOM 0 HD11 LEU A 55 1.451 50.371 62.987 1.00 24.15 H new ATOM 0 HD12 LEU A 55 2.608 50.303 64.337 1.00 24.15 H new ATOM 0 HD13 LEU A 55 2.276 51.852 63.526 1.00 24.15 H new ATOM 0 HD21 LEU A 55 2.250 50.686 60.674 1.00 72.24 H new ATOM 0 HD22 LEU A 55 3.106 52.180 61.122 1.00 72.24 H new ATOM 0 HD23 LEU A 55 3.990 50.850 60.337 1.00 72.24 H new ATOM 883 N GLN A 56 5.252 48.540 61.097 1.00 33.45 N ATOM 884 CA GLN A 56 4.910 47.165 60.755 1.00 3.13 C ATOM 885 C GLN A 56 6.037 46.212 61.140 1.00 73.20 C ATOM 886 O GLN A 56 5.790 45.118 61.648 1.00 44.34 O ATOM 887 CB GLN A 56 4.615 47.047 59.259 1.00 12.25 C ATOM 888 CG GLN A 56 4.262 45.635 58.818 1.00 20.52 C ATOM 889 CD GLN A 56 2.821 45.511 58.360 1.00 1.21 C ATOM 890 OE1 GLN A 56 2.509 45.730 57.189 1.00 23.11 O ATOM 891 NE2 GLN A 56 1.935 45.157 59.283 1.00 24.14 N ATOM 0 H GLN A 56 5.044 49.221 60.366 1.00 33.45 H new ATOM 0 HA GLN A 56 4.017 46.889 61.317 1.00 3.13 H new ATOM 0 HB2 GLN A 56 3.791 47.714 59.006 1.00 12.25 H new ATOM 0 HB3 GLN A 56 5.485 47.387 58.698 1.00 12.25 H new ATOM 0 HG2 GLN A 56 4.925 45.335 58.006 1.00 20.52 H new ATOM 0 HG3 GLN A 56 4.438 44.946 59.644 1.00 20.52 H new ATOM 0 HE21 GLN A 56 2.238 44.985 60.242 1.00 24.14 H new ATOM 0 HE22 GLN A 56 0.951 45.057 59.034 1.00 24.14 H new ATOM 900 N GLN A 57 7.273 46.637 60.896 1.00 1.34 N ATOM 901 CA GLN A 57 8.437 45.820 61.216 1.00 1.25 C ATOM 902 C GLN A 57 8.454 45.453 62.696 1.00 4.33 C ATOM 903 O GLN A 57 8.906 44.371 63.072 1.00 14.42 O ATOM 904 CB GLN A 57 9.723 46.562 60.848 1.00 2.13 C ATOM 905 CG GLN A 57 10.307 46.141 59.508 1.00 15.45 C ATOM 906 CD GLN A 57 11.014 47.277 58.797 1.00 1.01 C ATOM 907 OE1 GLN A 57 11.660 48.114 59.429 1.00 5.23 O ATOM 908 NE2 GLN A 57 10.896 47.312 57.475 1.00 73.31 N ATOM 0 H GLN A 57 7.493 47.541 60.478 1.00 1.34 H new ATOM 0 HA GLN A 57 8.376 44.901 60.633 1.00 1.25 H new ATOM 0 HB2 GLN A 57 9.521 47.633 60.827 1.00 2.13 H new ATOM 0 HB3 GLN A 57 10.466 46.393 61.628 1.00 2.13 H new ATOM 0 HG2 GLN A 57 11.009 45.322 59.663 1.00 15.45 H new ATOM 0 HG3 GLN A 57 9.508 45.760 58.871 1.00 15.45 H new ATOM 0 HE21 GLN A 57 10.351 46.598 56.993 1.00 73.31 H new ATOM 0 HE22 GLN A 57 11.351 48.053 56.942 1.00 73.31 H new ATOM 917 N SER A 58 7.960 46.360 63.532 1.00 34.12 N ATOM 918 CA SER A 58 7.921 46.134 64.972 1.00 45.50 C ATOM 919 C SER A 58 6.689 45.323 65.362 1.00 2.33 C ATOM 920 O SER A 58 6.801 44.209 65.878 1.00 73.35 O ATOM 921 CB SER A 58 7.925 47.468 65.720 1.00 31.53 C ATOM 922 OG SER A 58 9.245 47.865 66.049 1.00 10.03 O ATOM 0 H SER A 58 7.581 47.260 63.237 1.00 34.12 H new ATOM 0 HA SER A 58 8.810 45.568 65.249 1.00 45.50 H new ATOM 0 HB2 SER A 58 7.454 48.235 65.105 1.00 31.53 H new ATOM 0 HB3 SER A 58 7.331 47.380 66.630 1.00 31.53 H new ATOM 0 HG SER A 58 9.220 48.721 66.525 1.00 10.03 H new ATOM 928 N THR A 59 5.512 45.887 65.110 1.00 52.33 N ATOM 929 CA THR A 59 4.259 45.220 65.436 1.00 24.05 C ATOM 930 C THR A 59 4.283 43.760 64.994 1.00 74.14 C ATOM 931 O THR A 59 3.520 42.937 65.499 1.00 3.13 O ATOM 932 CB THR A 59 3.059 45.924 64.775 1.00 14.25 C ATOM 933 OG1 THR A 59 3.109 47.330 65.043 1.00 23.50 O ATOM 934 CG2 THR A 59 1.746 45.352 65.289 1.00 4.05 C ATOM 0 H THR A 59 5.401 46.805 64.681 1.00 52.33 H new ATOM 0 HA THR A 59 4.148 45.268 66.519 1.00 24.05 H new ATOM 0 HB THR A 59 3.114 45.756 63.699 1.00 14.25 H new ATOM 0 HG1 THR A 59 2.344 47.771 64.618 1.00 23.50 H new ATOM 0 HG21 THR A 59 0.913 45.865 64.808 1.00 4.05 H new ATOM 0 HG22 THR A 59 1.698 44.287 65.060 1.00 4.05 H new ATOM 0 HG23 THR A 59 1.685 45.494 66.368 1.00 4.05 H new ATOM 942 N ASP A 60 5.164 43.447 64.050 1.00 73.24 N ATOM 943 CA ASP A 60 5.289 42.086 63.541 1.00 34.22 C ATOM 944 C ASP A 60 5.671 41.121 64.659 1.00 62.34 C ATOM 945 O ASP A 60 5.198 39.987 64.702 1.00 1.32 O ATOM 946 CB ASP A 60 6.330 42.031 62.422 1.00 54.52 C ATOM 947 CG ASP A 60 5.789 41.392 61.159 1.00 13.45 C ATOM 948 OD1 ASP A 60 5.050 42.074 60.419 1.00 42.51 O ATOM 949 OD2 ASP A 60 6.103 40.208 60.911 1.00 41.40 O ATOM 0 H ASP A 60 5.802 44.117 63.622 1.00 73.24 H new ATOM 0 HA ASP A 60 4.322 41.783 63.140 1.00 34.22 H new ATOM 0 HB2 ASP A 60 6.671 43.042 62.197 1.00 54.52 H new ATOM 0 HB3 ASP A 60 7.199 41.470 62.766 1.00 54.52 H new ATOM 954 N ALA A 61 6.531 41.581 65.561 1.00 41.25 N ATOM 955 CA ALA A 61 6.977 40.759 66.680 1.00 41.15 C ATOM 956 C ALA A 61 5.815 40.409 67.602 1.00 74.34 C ATOM 957 O ALA A 61 5.638 39.252 67.984 1.00 31.14 O ATOM 958 CB ALA A 61 8.073 41.474 67.457 1.00 64.31 C ATOM 0 H ALA A 61 6.933 42.518 65.539 1.00 41.25 H new ATOM 0 HA ALA A 61 7.380 39.830 66.277 1.00 41.15 H new ATOM 0 HB1 ALA A 61 8.396 40.849 68.289 1.00 64.31 H new ATOM 0 HB2 ALA A 61 8.920 41.667 66.798 1.00 64.31 H new ATOM 0 HB3 ALA A 61 7.689 42.419 67.841 1.00 64.31 H new ATOM 964 N LEU A 62 5.025 41.416 67.958 1.00 51.14 N ATOM 965 CA LEU A 62 3.878 41.216 68.837 1.00 30.34 C ATOM 966 C LEU A 62 2.756 40.484 68.109 1.00 11.05 C ATOM 967 O LEU A 62 2.036 39.681 68.703 1.00 70.23 O ATOM 968 CB LEU A 62 3.370 42.560 69.361 1.00 44.03 C ATOM 969 CG LEU A 62 2.823 42.561 70.788 1.00 55.54 C ATOM 970 CD1 LEU A 62 3.876 42.061 71.765 1.00 25.50 C ATOM 971 CD2 LEU A 62 2.350 43.954 71.178 1.00 43.55 C ATOM 0 H LEU A 62 5.158 42.380 67.651 1.00 51.14 H new ATOM 0 HA LEU A 62 4.200 40.604 69.679 1.00 30.34 H new ATOM 0 HB2 LEU A 62 4.186 43.281 69.306 1.00 44.03 H new ATOM 0 HB3 LEU A 62 2.586 42.915 68.692 1.00 44.03 H new ATOM 0 HG LEU A 62 1.969 41.885 70.829 1.00 55.54 H new ATOM 0 HD11 LEU A 62 3.468 42.069 72.776 1.00 25.50 H new ATOM 0 HD12 LEU A 62 4.166 41.045 71.499 1.00 25.50 H new ATOM 0 HD13 LEU A 62 4.750 42.711 71.722 1.00 25.50 H new ATOM 0 HD21 LEU A 62 1.964 43.935 72.197 1.00 43.55 H new ATOM 0 HD22 LEU A 62 3.185 44.652 71.119 1.00 43.55 H new ATOM 0 HD23 LEU A 62 1.561 44.274 70.497 1.00 43.55 H new ATOM 983 N TYR A 63 2.612 40.765 66.819 1.00 23.01 N ATOM 984 CA TYR A 63 1.577 40.134 66.009 1.00 42.34 C ATOM 985 C TYR A 63 1.774 38.622 65.956 1.00 41.20 C ATOM 986 O TYR A 63 0.827 37.855 66.133 1.00 52.41 O ATOM 987 CB TYR A 63 1.586 40.710 64.592 1.00 63.44 C ATOM 988 CG TYR A 63 1.423 39.665 63.512 1.00 21.01 C ATOM 989 CD1 TYR A 63 2.526 39.000 62.990 1.00 21.13 C ATOM 990 CD2 TYR A 63 0.167 39.343 63.012 1.00 51.24 C ATOM 991 CE1 TYR A 63 2.382 38.044 62.002 1.00 71.33 C ATOM 992 CE2 TYR A 63 0.013 38.388 62.026 1.00 62.02 C ATOM 993 CZ TYR A 63 1.123 37.742 61.524 1.00 43.11 C ATOM 994 OH TYR A 63 0.975 36.792 60.540 1.00 2.43 O ATOM 0 H TYR A 63 3.200 41.426 66.311 1.00 23.01 H new ATOM 0 HA TYR A 63 0.612 40.341 66.472 1.00 42.34 H new ATOM 0 HB2 TYR A 63 0.783 41.442 64.501 1.00 63.44 H new ATOM 0 HB3 TYR A 63 2.523 41.243 64.432 1.00 63.44 H new ATOM 0 HD1 TYR A 63 3.512 39.234 63.363 1.00 21.13 H new ATOM 0 HD2 TYR A 63 -0.704 39.849 63.401 1.00 51.24 H new ATOM 0 HE1 TYR A 63 3.249 37.536 61.607 1.00 71.33 H new ATOM 0 HE2 TYR A 63 -0.971 38.149 61.650 1.00 62.02 H new ATOM 0 HH TYR A 63 0.025 36.698 60.316 1.00 2.43 H new ATOM 1004 N SER A 64 3.011 38.200 65.710 1.00 73.41 N ATOM 1005 CA SER A 64 3.332 36.780 65.631 1.00 22.11 C ATOM 1006 C SER A 64 3.601 36.205 67.018 1.00 12.12 C ATOM 1007 O SER A 64 3.200 35.081 67.325 1.00 71.43 O ATOM 1008 CB SER A 64 4.551 36.562 64.732 1.00 24.13 C ATOM 1009 OG SER A 64 4.347 35.469 63.853 1.00 10.23 O ATOM 0 H SER A 64 3.806 38.821 65.562 1.00 73.41 H new ATOM 0 HA SER A 64 2.474 36.262 65.202 1.00 22.11 H new ATOM 0 HB2 SER A 64 4.747 37.465 64.155 1.00 24.13 H new ATOM 0 HB3 SER A 64 5.432 36.379 65.347 1.00 24.13 H new ATOM 0 HG SER A 64 5.139 35.351 63.288 1.00 10.23 H new ATOM 1015 N HIS A 65 4.282 36.984 67.853 1.00 32.35 N ATOM 1016 CA HIS A 65 4.603 36.554 69.209 1.00 24.04 C ATOM 1017 C HIS A 65 3.371 35.980 69.904 1.00 23.20 C ATOM 1018 O HIS A 65 3.435 34.921 70.528 1.00 52.40 O ATOM 1019 CB HIS A 65 5.162 37.723 70.018 1.00 53.34 C ATOM 1020 CG HIS A 65 5.202 37.466 71.494 1.00 74.32 C ATOM 1021 ND1 HIS A 65 5.896 36.417 72.057 1.00 1.11 N ATOM 1022 CD2 HIS A 65 4.627 38.131 72.524 1.00 44.43 C ATOM 1023 CE1 HIS A 65 5.747 36.446 73.369 1.00 5.13 C ATOM 1024 NE2 HIS A 65 4.982 37.477 73.679 1.00 20.23 N ATOM 0 H HIS A 65 4.622 37.916 67.614 1.00 32.35 H new ATOM 0 HA HIS A 65 5.359 35.772 69.146 1.00 24.04 H new ATOM 0 HB2 HIS A 65 6.170 37.946 69.669 1.00 53.34 H new ATOM 0 HB3 HIS A 65 4.555 38.608 69.828 1.00 53.34 H new ATOM 0 HD2 HIS A 65 4.005 39.011 72.451 1.00 44.43 H new ATOM 0 HE1 HIS A 65 6.178 35.746 74.069 1.00 5.13 H new ATOM 0 HE2 HIS A 65 4.701 37.744 74.622 1.00 20.23 H new ATOM 1032 N LEU A 66 2.253 36.688 69.793 1.00 23.44 N ATOM 1033 CA LEU A 66 1.006 36.251 70.411 1.00 24.14 C ATOM 1034 C LEU A 66 0.411 35.064 69.659 1.00 65.12 C ATOM 1035 O LEU A 66 0.157 34.012 70.243 1.00 30.33 O ATOM 1036 CB LEU A 66 0.000 37.402 70.447 1.00 31.52 C ATOM 1037 CG LEU A 66 -1.318 37.120 71.168 1.00 31.11 C ATOM 1038 CD1 LEU A 66 -1.212 37.488 72.639 1.00 34.55 C ATOM 1039 CD2 LEU A 66 -2.461 37.878 70.507 1.00 72.10 C ATOM 0 H LEU A 66 2.184 37.567 69.281 1.00 23.44 H new ATOM 0 HA LEU A 66 1.227 35.937 71.431 1.00 24.14 H new ATOM 0 HB2 LEU A 66 0.476 38.259 70.924 1.00 31.52 H new ATOM 0 HB3 LEU A 66 -0.225 37.693 69.421 1.00 31.52 H new ATOM 0 HG LEU A 66 -1.527 36.053 71.097 1.00 31.11 H new ATOM 0 HD11 LEU A 66 -2.160 37.280 73.135 1.00 34.55 H new ATOM 0 HD12 LEU A 66 -0.422 36.900 73.105 1.00 34.55 H new ATOM 0 HD13 LEU A 66 -0.978 38.548 72.733 1.00 34.55 H new ATOM 0 HD21 LEU A 66 -3.391 37.665 71.034 1.00 72.10 H new ATOM 0 HD22 LEU A 66 -2.259 38.948 70.546 1.00 72.10 H new ATOM 0 HD23 LEU A 66 -2.553 37.564 69.467 1.00 72.10 H new ATOM 1051 N GLU A 67 0.195 35.243 68.359 1.00 43.41 N ATOM 1052 CA GLU A 67 -0.367 34.186 67.526 1.00 51.42 C ATOM 1053 C GLU A 67 0.407 32.883 67.704 1.00 41.30 C ATOM 1054 O GLU A 67 -0.169 31.797 67.671 1.00 24.14 O ATOM 1055 CB GLU A 67 -0.354 34.604 66.055 1.00 62.31 C ATOM 1056 CG GLU A 67 -1.321 33.814 65.189 1.00 40.15 C ATOM 1057 CD GLU A 67 -1.007 33.929 63.709 1.00 55.31 C ATOM 1058 OE1 GLU A 67 -1.219 35.020 63.142 1.00 63.53 O ATOM 1059 OE2 GLU A 67 -0.550 32.927 63.121 1.00 74.12 O ATOM 0 H GLU A 67 0.400 36.109 67.861 1.00 43.41 H new ATOM 0 HA GLU A 67 -1.398 34.021 67.840 1.00 51.42 H new ATOM 0 HB2 GLU A 67 -0.599 35.664 65.985 1.00 62.31 H new ATOM 0 HB3 GLU A 67 0.655 34.484 65.661 1.00 62.31 H new ATOM 0 HG2 GLU A 67 -1.291 32.765 65.482 1.00 40.15 H new ATOM 0 HG3 GLU A 67 -2.336 34.167 65.370 1.00 40.15 H new ATOM 1066 N ALA A 68 1.717 33.001 67.892 1.00 43.24 N ATOM 1067 CA ALA A 68 2.571 31.834 68.075 1.00 53.44 C ATOM 1068 C ALA A 68 2.603 31.403 69.538 1.00 24.21 C ATOM 1069 O ALA A 68 2.243 30.273 69.868 1.00 2.10 O ATOM 1070 CB ALA A 68 3.980 32.128 67.580 1.00 3.34 C ATOM 0 H ALA A 68 2.210 33.893 67.922 1.00 43.24 H new ATOM 0 HA ALA A 68 2.155 31.014 67.489 1.00 53.44 H new ATOM 0 HB1 ALA A 68 4.607 31.248 67.723 1.00 3.34 H new ATOM 0 HB2 ALA A 68 3.948 32.383 66.521 1.00 3.34 H new ATOM 0 HB3 ALA A 68 4.396 32.965 68.142 1.00 3.34 H new ATOM 1076 N GLN A 69 3.036 32.308 70.409 1.00 42.13 N ATOM 1077 CA GLN A 69 3.116 32.019 71.836 1.00 30.41 C ATOM 1078 C GLN A 69 1.738 31.694 72.403 1.00 73.22 C ATOM 1079 O GLN A 69 1.546 30.656 73.036 1.00 51.30 O ATOM 1080 CB GLN A 69 3.722 33.206 72.585 1.00 73.22 C ATOM 1081 CG GLN A 69 3.970 32.933 74.060 1.00 25.21 C ATOM 1082 CD GLN A 69 4.853 31.722 74.288 1.00 34.23 C ATOM 1083 OE1 GLN A 69 6.080 31.814 74.237 1.00 14.12 O ATOM 1084 NE2 GLN A 69 4.231 30.575 74.542 1.00 50.23 N ATOM 0 H GLN A 69 3.337 33.248 70.152 1.00 42.13 H new ATOM 0 HA GLN A 69 3.758 31.149 71.970 1.00 30.41 H new ATOM 0 HB2 GLN A 69 4.665 33.481 72.112 1.00 73.22 H new ATOM 0 HB3 GLN A 69 3.056 34.063 72.490 1.00 73.22 H new ATOM 0 HG2 GLN A 69 4.435 33.808 74.515 1.00 25.21 H new ATOM 0 HG3 GLN A 69 3.015 32.782 74.563 1.00 25.21 H new ATOM 0 HE21 GLN A 69 3.212 30.544 74.575 1.00 50.23 H new ATOM 0 HE22 GLN A 69 4.773 29.726 74.704 1.00 50.23 H new ATOM 1093 N TRP A 70 0.783 32.588 72.171 1.00 52.23 N ATOM 1094 CA TRP A 70 -0.578 32.396 72.661 1.00 61.02 C ATOM 1095 C TRP A 70 -1.221 31.175 72.014 1.00 71.21 C ATOM 1096 O TRP A 70 -2.101 30.543 72.597 1.00 74.02 O ATOM 1097 CB TRP A 70 -1.422 33.641 72.382 1.00 63.12 C ATOM 1098 CG TRP A 70 -2.482 33.882 73.414 1.00 21.54 C ATOM 1099 CD1 TRP A 70 -2.409 34.732 74.480 1.00 31.13 C ATOM 1100 CD2 TRP A 70 -3.773 33.266 73.475 1.00 51.00 C ATOM 1101 NE1 TRP A 70 -3.577 34.680 75.203 1.00 63.44 N ATOM 1102 CE2 TRP A 70 -4.430 33.789 74.606 1.00 74.11 C ATOM 1103 CE3 TRP A 70 -4.438 32.325 72.685 1.00 14.32 C ATOM 1104 CZ2 TRP A 70 -5.718 33.400 74.964 1.00 71.43 C ATOM 1105 CZ3 TRP A 70 -5.716 31.940 73.042 1.00 73.30 C ATOM 1106 CH2 TRP A 70 -6.346 32.478 74.173 1.00 3.14 C ATOM 0 H TRP A 70 0.925 33.452 71.647 1.00 52.23 H new ATOM 0 HA TRP A 70 -0.531 32.231 73.737 1.00 61.02 H new ATOM 0 HB2 TRP A 70 -0.768 34.511 72.333 1.00 63.12 H new ATOM 0 HB3 TRP A 70 -1.893 33.541 71.404 1.00 63.12 H new ATOM 0 HD1 TRP A 70 -1.559 35.354 74.720 1.00 31.13 H new ATOM 0 HE1 TRP A 70 -3.776 35.217 76.047 1.00 63.44 H new ATOM 0 HE3 TRP A 70 -3.962 31.906 71.811 1.00 14.32 H new ATOM 0 HZ2 TRP A 70 -6.204 33.812 75.836 1.00 71.43 H new ATOM 0 HZ3 TRP A 70 -6.239 31.212 72.439 1.00 73.30 H new ATOM 0 HH2 TRP A 70 -7.346 32.158 74.424 1.00 3.14 H new ATOM 1117 N ALA A 71 -0.777 30.847 70.805 1.00 43.52 N ATOM 1118 CA ALA A 71 -1.308 29.699 70.080 1.00 53.15 C ATOM 1119 C ALA A 71 -1.355 28.462 70.970 1.00 23.11 C ATOM 1120 O ALA A 71 -2.299 27.675 70.908 1.00 23.15 O ATOM 1121 CB ALA A 71 -0.473 29.427 68.838 1.00 61.23 C ATOM 0 H ALA A 71 -0.050 31.361 70.307 1.00 43.52 H new ATOM 0 HA ALA A 71 -2.328 29.933 69.774 1.00 53.15 H new ATOM 0 HB1 ALA A 71 -0.881 28.567 68.306 1.00 61.23 H new ATOM 0 HB2 ALA A 71 -0.495 30.300 68.186 1.00 61.23 H new ATOM 0 HB3 ALA A 71 0.556 29.218 69.130 1.00 61.23 H new ATOM 1127 N LYS A 72 -0.328 28.295 71.798 1.00 31.55 N ATOM 1128 CA LYS A 72 -0.252 27.153 72.701 1.00 14.40 C ATOM 1129 C LYS A 72 -1.522 27.035 73.537 1.00 74.01 C ATOM 1130 O LYS A 72 -1.908 25.939 73.944 1.00 54.34 O ATOM 1131 CB LYS A 72 0.965 27.285 73.621 1.00 22.35 C ATOM 1132 CG LYS A 72 2.274 27.472 72.873 1.00 41.11 C ATOM 1133 CD LYS A 72 3.002 26.153 72.683 1.00 12.32 C ATOM 1134 CE LYS A 72 2.774 25.585 71.290 1.00 44.24 C ATOM 1135 NZ LYS A 72 3.654 24.415 71.018 1.00 13.14 N ATOM 0 H LYS A 72 0.463 28.936 71.862 1.00 31.55 H new ATOM 0 HA LYS A 72 -0.149 26.251 72.098 1.00 14.40 H new ATOM 0 HB2 LYS A 72 0.814 28.132 74.290 1.00 22.35 H new ATOM 0 HB3 LYS A 72 1.037 26.394 74.245 1.00 22.35 H new ATOM 0 HG2 LYS A 72 2.077 27.923 71.900 1.00 41.11 H new ATOM 0 HG3 LYS A 72 2.912 28.165 73.422 1.00 41.11 H new ATOM 0 HD2 LYS A 72 4.070 26.299 72.847 1.00 12.32 H new ATOM 0 HD3 LYS A 72 2.660 25.437 73.430 1.00 12.32 H new ATOM 0 HE2 LYS A 72 1.731 25.287 71.185 1.00 44.24 H new ATOM 0 HE3 LYS A 72 2.960 26.360 70.547 1.00 44.24 H new ATOM 0 HZ1 LYS A 72 3.469 24.057 70.059 1.00 13.14 H new ATOM 0 HZ2 LYS A 72 4.650 24.705 71.093 1.00 13.14 H new ATOM 0 HZ3 LYS A 72 3.459 23.665 71.712 1.00 13.14 H new ATOM 1149 N GLN A 73 -2.169 28.169 73.787 1.00 14.23 N ATOM 1150 CA GLN A 73 -3.397 28.191 74.573 1.00 12.43 C ATOM 1151 C GLN A 73 -4.486 27.357 73.906 1.00 61.23 C ATOM 1152 O GLN A 73 -4.983 26.390 74.482 1.00 55.31 O ATOM 1153 CB GLN A 73 -3.882 29.629 74.762 1.00 40.32 C ATOM 1154 CG GLN A 73 -3.031 30.435 75.730 1.00 54.13 C ATOM 1155 CD GLN A 73 -3.550 30.373 77.154 1.00 22.13 C ATOM 1156 OE1 GLN A 73 -3.116 29.539 77.949 1.00 63.25 O ATOM 1157 NE2 GLN A 73 -4.485 31.257 77.483 1.00 34.22 N ATOM 0 H GLN A 73 -1.863 29.084 73.457 1.00 14.23 H new ATOM 0 HA GLN A 73 -3.181 27.758 75.549 1.00 12.43 H new ATOM 0 HB2 GLN A 73 -3.891 30.131 73.794 1.00 40.32 H new ATOM 0 HB3 GLN A 73 -4.911 29.612 75.122 1.00 40.32 H new ATOM 0 HG2 GLN A 73 -2.007 30.063 75.704 1.00 54.13 H new ATOM 0 HG3 GLN A 73 -3.001 31.474 75.403 1.00 54.13 H new ATOM 0 HE21 GLN A 73 -4.816 31.931 76.792 1.00 34.22 H new ATOM 0 HE22 GLN A 73 -4.872 31.262 78.427 1.00 34.22 H new ATOM 1166 N HIS A 74 -4.852 27.740 72.686 1.00 75.14 N ATOM 1167 CA HIS A 74 -5.883 27.028 71.939 1.00 75.03 C ATOM 1168 C HIS A 74 -5.410 26.716 70.523 1.00 44.30 C ATOM 1169 O HIS A 74 -5.449 25.567 70.084 1.00 11.13 O ATOM 1170 CB HIS A 74 -7.168 27.854 71.889 1.00 34.25 C ATOM 1171 CG HIS A 74 -8.207 27.406 72.871 1.00 70.54 C ATOM 1172 ND1 HIS A 74 -8.825 26.176 72.805 1.00 61.22 N ATOM 1173 CD2 HIS A 74 -8.734 28.033 73.949 1.00 52.51 C ATOM 1174 CE1 HIS A 74 -9.689 26.065 73.798 1.00 52.53 C ATOM 1175 NE2 HIS A 74 -9.652 27.179 74.508 1.00 12.22 N ATOM 0 H HIS A 74 -4.450 28.538 72.195 1.00 75.14 H new ATOM 0 HA HIS A 74 -6.084 26.087 72.452 1.00 75.03 H new ATOM 0 HB2 HIS A 74 -6.926 28.899 72.080 1.00 34.25 H new ATOM 0 HB3 HIS A 74 -7.584 27.802 70.883 1.00 34.25 H new ATOM 0 HD2 HIS A 74 -8.480 29.021 74.303 1.00 52.51 H new ATOM 0 HE1 HIS A 74 -10.318 25.210 73.996 1.00 52.53 H new ATOM 0 HE2 HIS A 74 -10.214 27.373 75.337 1.00 12.22 H new ATOM 1183 N GLY A 75 -4.962 27.746 69.813 1.00 72.22 N ATOM 1184 CA GLY A 75 -4.489 27.561 68.454 1.00 44.50 C ATOM 1185 C GLY A 75 -5.574 27.801 67.423 1.00 72.44 C ATOM 1186 O GLY A 75 -5.290 27.956 66.235 1.00 33.02 O ATOM 0 H GLY A 75 -4.918 28.706 70.155 1.00 72.22 H new ATOM 0 HA2 GLY A 75 -3.658 28.241 68.267 1.00 44.50 H new ATOM 0 HA3 GLY A 75 -4.104 26.548 68.342 1.00 44.50 H new ATOM 1190 N THR A 76 -6.823 27.831 67.878 1.00 71.23 N ATOM 1191 CA THR A 76 -7.955 28.052 66.987 1.00 35.32 C ATOM 1192 C THR A 76 -8.242 29.540 66.820 1.00 43.10 C ATOM 1193 O THR A 76 -8.287 30.066 65.707 1.00 50.15 O ATOM 1194 CB THR A 76 -9.224 27.353 67.509 1.00 2.25 C ATOM 1195 OG1 THR A 76 -10.232 28.325 67.807 1.00 20.44 O ATOM 1196 CG2 THR A 76 -8.919 26.534 68.754 1.00 1.31 C ATOM 0 H THR A 76 -7.076 27.705 68.858 1.00 71.23 H new ATOM 0 HA THR A 76 -7.684 27.626 66.021 1.00 35.32 H new ATOM 0 HB THR A 76 -9.586 26.681 66.731 1.00 2.25 H new ATOM 0 HG1 THR A 76 -11.036 27.872 68.137 1.00 20.44 H new ATOM 0 HG21 THR A 76 -9.831 26.050 69.104 1.00 1.31 H new ATOM 0 HG22 THR A 76 -8.174 25.775 68.517 1.00 1.31 H new ATOM 0 HG23 THR A 76 -8.534 27.189 69.535 1.00 1.31 H new ATOM 1204 N PRO A 77 -8.439 30.236 67.948 1.00 71.33 N ATOM 1205 CA PRO A 77 -8.724 31.675 67.952 1.00 42.51 C ATOM 1206 C PRO A 77 -7.514 32.505 67.535 1.00 14.12 C ATOM 1207 O PRO A 77 -7.642 33.609 67.006 1.00 21.33 O ATOM 1208 CB PRO A 77 -9.092 31.959 69.410 1.00 52.14 C ATOM 1209 CG PRO A 77 -8.405 30.892 70.190 1.00 53.12 C ATOM 1210 CD PRO A 77 -8.400 29.674 69.308 1.00 15.03 C ATOM 0 HA PRO A 77 -9.508 31.939 67.242 1.00 42.51 H new ATOM 0 HB2 PRO A 77 -8.758 32.950 69.716 1.00 52.14 H new ATOM 0 HB3 PRO A 77 -10.171 31.926 69.559 1.00 52.14 H new ATOM 0 HG2 PRO A 77 -7.389 31.190 70.449 1.00 53.12 H new ATOM 0 HG3 PRO A 77 -8.928 30.694 71.126 1.00 53.12 H new ATOM 0 HD2 PRO A 77 -7.509 29.067 69.466 1.00 15.03 H new ATOM 0 HD3 PRO A 77 -9.260 29.034 69.503 1.00 15.03 H new ATOM 1218 N PRO A 78 -6.311 31.964 67.779 1.00 55.34 N ATOM 1219 CA PRO A 78 -5.056 32.639 67.437 1.00 71.51 C ATOM 1220 C PRO A 78 -4.828 32.708 65.930 1.00 55.12 C ATOM 1221 O PRO A 78 -4.314 31.767 65.325 1.00 13.22 O ATOM 1222 CB PRO A 78 -3.989 31.763 68.098 1.00 35.12 C ATOM 1223 CG PRO A 78 -4.615 30.413 68.195 1.00 70.25 C ATOM 1224 CD PRO A 78 -6.084 30.652 68.409 1.00 70.01 C ATOM 0 HA PRO A 78 -5.046 33.675 67.775 1.00 71.51 H new ATOM 0 HB2 PRO A 78 -3.076 31.734 67.503 1.00 35.12 H new ATOM 0 HB3 PRO A 78 -3.717 32.145 69.082 1.00 35.12 H new ATOM 0 HG2 PRO A 78 -4.442 29.836 67.286 1.00 70.25 H new ATOM 0 HG3 PRO A 78 -4.188 29.843 69.020 1.00 70.25 H new ATOM 0 HD2 PRO A 78 -6.690 29.873 67.945 1.00 70.01 H new ATOM 0 HD3 PRO A 78 -6.339 30.665 69.469 1.00 70.01 H new ATOM 1232 N THR A 79 -5.213 33.830 65.329 1.00 41.22 N ATOM 1233 CA THR A 79 -5.051 34.022 63.894 1.00 25.02 C ATOM 1234 C THR A 79 -4.806 35.489 63.559 1.00 51.35 C ATOM 1235 O THR A 79 -5.354 36.382 64.205 1.00 65.54 O ATOM 1236 CB THR A 79 -6.288 33.530 63.118 1.00 63.41 C ATOM 1237 OG1 THR A 79 -6.612 32.193 63.511 1.00 34.04 O ATOM 1238 CG2 THR A 79 -6.040 33.577 61.618 1.00 63.32 C ATOM 0 H THR A 79 -5.639 34.619 65.815 1.00 41.22 H new ATOM 0 HA THR A 79 -4.184 33.434 63.593 1.00 25.02 H new ATOM 0 HB THR A 79 -7.123 34.190 63.353 1.00 63.41 H new ATOM 0 HG1 THR A 79 -7.400 31.888 63.015 1.00 34.04 H new ATOM 0 HG21 THR A 79 -6.927 33.225 61.091 1.00 63.32 H new ATOM 0 HG22 THR A 79 -5.822 34.602 61.317 1.00 63.32 H new ATOM 0 HG23 THR A 79 -5.193 32.938 61.369 1.00 63.32 H new ATOM 1246 N ALA A 80 -3.979 35.730 62.547 1.00 43.24 N ATOM 1247 CA ALA A 80 -3.663 37.089 62.126 1.00 32.33 C ATOM 1248 C ALA A 80 -4.913 37.964 62.112 1.00 63.13 C ATOM 1249 O ALA A 80 -4.827 39.186 62.236 1.00 53.22 O ATOM 1250 CB ALA A 80 -3.010 37.078 60.751 1.00 12.30 C ATOM 0 H ALA A 80 -3.516 35.002 62.004 1.00 43.24 H new ATOM 0 HA ALA A 80 -2.962 37.512 62.846 1.00 32.33 H new ATOM 0 HB1 ALA A 80 -2.780 38.100 60.449 1.00 12.30 H new ATOM 0 HB2 ALA A 80 -2.090 36.495 60.790 1.00 12.30 H new ATOM 0 HB3 ALA A 80 -3.692 36.631 60.028 1.00 12.30 H new ATOM 1256 N SER A 81 -6.071 37.330 61.961 1.00 64.44 N ATOM 1257 CA SER A 81 -7.338 38.052 61.927 1.00 23.51 C ATOM 1258 C SER A 81 -7.720 38.545 63.319 1.00 43.22 C ATOM 1259 O SER A 81 -8.224 39.657 63.480 1.00 43.34 O ATOM 1260 CB SER A 81 -8.445 37.155 61.369 1.00 62.12 C ATOM 1261 OG SER A 81 -8.353 37.050 59.959 1.00 33.35 O ATOM 0 H SER A 81 -6.159 36.319 61.860 1.00 64.44 H new ATOM 0 HA SER A 81 -7.218 38.917 61.275 1.00 23.51 H new ATOM 0 HB2 SER A 81 -8.374 36.163 61.816 1.00 62.12 H new ATOM 0 HB3 SER A 81 -9.419 37.560 61.644 1.00 62.12 H new ATOM 0 HG SER A 81 -9.070 36.470 59.627 1.00 33.35 H new ATOM 1267 N ASP A 82 -7.476 37.710 64.323 1.00 22.32 N ATOM 1268 CA ASP A 82 -7.793 38.059 65.703 1.00 1.21 C ATOM 1269 C ASP A 82 -6.593 38.704 66.390 1.00 25.03 C ATOM 1270 O ASP A 82 -6.711 39.767 67.000 1.00 40.30 O ATOM 1271 CB ASP A 82 -8.233 36.816 66.478 1.00 34.23 C ATOM 1272 CG ASP A 82 -9.430 36.133 65.846 1.00 12.10 C ATOM 1273 OD1 ASP A 82 -10.543 36.693 65.926 1.00 13.41 O ATOM 1274 OD2 ASP A 82 -9.253 35.038 65.272 1.00 31.42 O ATOM 0 H ASP A 82 -7.059 36.786 64.207 1.00 22.32 H new ATOM 0 HA ASP A 82 -8.612 38.778 65.691 1.00 1.21 H new ATOM 0 HB2 ASP A 82 -7.403 36.112 66.531 1.00 34.23 H new ATOM 0 HB3 ASP A 82 -8.478 37.098 67.502 1.00 34.23 H new ATOM 1279 N VAL A 83 -5.438 38.053 66.286 1.00 11.25 N ATOM 1280 CA VAL A 83 -4.216 38.563 66.897 1.00 23.25 C ATOM 1281 C VAL A 83 -4.108 40.074 66.730 1.00 50.51 C ATOM 1282 O VAL A 83 -3.647 40.777 67.630 1.00 25.01 O ATOM 1283 CB VAL A 83 -2.966 37.898 66.289 1.00 70.22 C ATOM 1284 CG1 VAL A 83 -1.721 38.293 67.068 1.00 4.33 C ATOM 1285 CG2 VAL A 83 -3.129 36.387 66.256 1.00 34.23 C ATOM 0 H VAL A 83 -5.323 37.172 65.785 1.00 11.25 H new ATOM 0 HA VAL A 83 -4.267 38.321 67.959 1.00 23.25 H new ATOM 0 HB VAL A 83 -2.850 38.249 65.263 1.00 70.22 H new ATOM 0 HG11 VAL A 83 -0.848 37.814 66.625 1.00 4.33 H new ATOM 0 HG12 VAL A 83 -1.598 39.376 67.033 1.00 4.33 H new ATOM 0 HG13 VAL A 83 -1.824 37.972 68.105 1.00 4.33 H new ATOM 0 HG21 VAL A 83 -2.237 35.934 65.824 1.00 34.23 H new ATOM 0 HG22 VAL A 83 -3.270 36.014 67.270 1.00 34.23 H new ATOM 0 HG23 VAL A 83 -3.997 36.128 65.650 1.00 34.23 H new ATOM 1295 N VAL A 84 -4.536 40.569 65.574 1.00 1.10 N ATOM 1296 CA VAL A 84 -4.489 41.998 65.289 1.00 53.23 C ATOM 1297 C VAL A 84 -5.049 42.809 66.452 1.00 41.25 C ATOM 1298 O VAL A 84 -4.488 43.836 66.833 1.00 31.11 O ATOM 1299 CB VAL A 84 -5.277 42.343 64.011 1.00 0.11 C ATOM 1300 CG1 VAL A 84 -4.387 42.215 62.784 1.00 63.05 C ATOM 1301 CG2 VAL A 84 -6.503 41.451 63.885 1.00 10.22 C ATOM 0 H VAL A 84 -4.920 40.001 64.819 1.00 1.10 H new ATOM 0 HA VAL A 84 -3.440 42.256 65.141 1.00 53.23 H new ATOM 0 HB VAL A 84 -5.613 43.378 64.080 1.00 0.11 H new ATOM 0 HG11 VAL A 84 -4.961 42.463 61.891 1.00 63.05 H new ATOM 0 HG12 VAL A 84 -3.543 42.899 62.874 1.00 63.05 H new ATOM 0 HG13 VAL A 84 -4.019 41.192 62.707 1.00 63.05 H new ATOM 0 HG21 VAL A 84 -7.048 41.708 62.977 1.00 10.22 H new ATOM 0 HG22 VAL A 84 -6.191 40.408 63.838 1.00 10.22 H new ATOM 0 HG23 VAL A 84 -7.150 41.597 64.750 1.00 10.22 H new ATOM 1311 N GLY A 85 -6.158 42.339 67.015 1.00 64.31 N ATOM 1312 CA GLY A 85 -6.775 43.032 68.130 1.00 22.11 C ATOM 1313 C GLY A 85 -7.223 42.085 69.225 1.00 13.01 C ATOM 1314 O GLY A 85 -7.998 42.464 70.104 1.00 24.22 O ATOM 0 H GLY A 85 -6.640 41.490 66.718 1.00 64.31 H new ATOM 0 HA2 GLY A 85 -6.068 43.751 68.543 1.00 22.11 H new ATOM 0 HA3 GLY A 85 -7.634 43.599 67.771 1.00 22.11 H new ATOM 1318 N MET A 86 -6.738 40.849 69.172 1.00 44.52 N ATOM 1319 CA MET A 86 -7.093 39.845 70.167 1.00 11.43 C ATOM 1320 C MET A 86 -6.413 40.137 71.501 1.00 41.21 C ATOM 1321 O MET A 86 -7.037 40.111 72.562 1.00 50.20 O ATOM 1322 CB MET A 86 -6.704 38.449 69.678 1.00 23.00 C ATOM 1323 CG MET A 86 -6.837 37.373 70.741 1.00 1.55 C ATOM 1324 SD MET A 86 -5.485 37.401 71.933 1.00 41.11 S ATOM 1325 CE MET A 86 -4.873 35.724 71.792 1.00 42.24 C ATOM 0 H MET A 86 -6.098 40.519 68.450 1.00 44.52 H new ATOM 0 HA MET A 86 -8.172 39.882 70.313 1.00 11.43 H new ATOM 0 HB2 MET A 86 -7.329 38.185 68.825 1.00 23.00 H new ATOM 0 HB3 MET A 86 -5.674 38.472 69.323 1.00 23.00 H new ATOM 0 HG2 MET A 86 -7.783 37.503 71.267 1.00 1.55 H new ATOM 0 HG3 MET A 86 -6.872 36.395 70.260 1.00 1.55 H new ATOM 0 HE1 MET A 86 -3.831 35.689 72.109 1.00 42.24 H new ATOM 0 HE2 MET A 86 -5.467 35.065 72.426 1.00 42.24 H new ATOM 0 HE3 MET A 86 -4.949 35.395 70.756 1.00 42.24 H new ATOM 1335 N PRO A 87 -5.103 40.421 71.449 1.00 4.54 N ATOM 1336 CA PRO A 87 -4.310 40.722 72.644 1.00 3.32 C ATOM 1337 C PRO A 87 -4.677 42.068 73.259 1.00 24.43 C ATOM 1338 O PRO A 87 -5.735 42.625 72.968 1.00 4.24 O ATOM 1339 CB PRO A 87 -2.872 40.747 72.120 1.00 63.52 C ATOM 1340 CG PRO A 87 -3.003 41.087 70.674 1.00 54.04 C ATOM 1341 CD PRO A 87 -4.295 40.468 70.219 1.00 72.42 C ATOM 0 HA PRO A 87 -4.476 39.993 73.437 1.00 3.32 H new ATOM 0 HB2 PRO A 87 -2.271 41.487 72.648 1.00 63.52 H new ATOM 0 HB3 PRO A 87 -2.383 39.782 72.258 1.00 63.52 H new ATOM 0 HG2 PRO A 87 -3.014 42.167 70.526 1.00 54.04 H new ATOM 0 HG3 PRO A 87 -2.161 40.696 70.103 1.00 54.04 H new ATOM 0 HD2 PRO A 87 -4.776 41.066 69.445 1.00 72.42 H new ATOM 0 HD3 PRO A 87 -4.139 39.473 69.803 1.00 72.42 H new ATOM 1349 N GLN A 88 -3.795 42.586 74.108 1.00 22.42 N ATOM 1350 CA GLN A 88 -4.028 43.868 74.763 1.00 51.32 C ATOM 1351 C GLN A 88 -3.738 45.025 73.813 1.00 43.35 C ATOM 1352 O GLN A 88 -4.549 45.940 73.669 1.00 22.20 O ATOM 1353 CB GLN A 88 -3.158 43.990 76.015 1.00 74.15 C ATOM 1354 CG GLN A 88 -1.675 43.792 75.746 1.00 54.24 C ATOM 1355 CD GLN A 88 -0.965 43.084 76.885 1.00 25.44 C ATOM 1356 OE1 GLN A 88 -0.265 43.709 77.680 1.00 2.04 O ATOM 1357 NE2 GLN A 88 -1.144 41.770 76.966 1.00 52.23 N ATOM 0 H GLN A 88 -2.913 42.138 74.358 1.00 22.42 H new ATOM 0 HA GLN A 88 -5.078 43.914 75.053 1.00 51.32 H new ATOM 0 HB2 GLN A 88 -3.310 44.974 76.459 1.00 74.15 H new ATOM 0 HB3 GLN A 88 -3.487 43.255 76.749 1.00 74.15 H new ATOM 0 HG2 GLN A 88 -1.550 43.215 74.830 1.00 54.24 H new ATOM 0 HG3 GLN A 88 -1.207 44.762 75.578 1.00 54.24 H new ATOM 0 HE21 GLN A 88 -1.734 41.293 76.284 1.00 52.23 H new ATOM 0 HE22 GLN A 88 -0.692 41.239 77.710 1.00 52.23 H new ATOM 1366 N TRP A 89 -2.577 44.978 73.169 1.00 33.45 N ATOM 1367 CA TRP A 89 -2.181 46.023 72.232 1.00 50.45 C ATOM 1368 C TRP A 89 -3.329 46.378 71.294 1.00 23.21 C ATOM 1369 O TRP A 89 -3.346 47.457 70.700 1.00 0.45 O ATOM 1370 CB TRP A 89 -0.963 45.576 71.422 1.00 43.44 C ATOM 1371 CG TRP A 89 -1.322 44.841 70.167 1.00 3.02 C ATOM 1372 CD1 TRP A 89 -2.073 45.312 69.127 1.00 3.41 C ATOM 1373 CD2 TRP A 89 -0.948 43.503 69.819 1.00 0.52 C ATOM 1374 NE1 TRP A 89 -2.187 44.347 68.155 1.00 63.31 N ATOM 1375 CE2 TRP A 89 -1.506 43.229 68.555 1.00 52.54 C ATOM 1376 CE3 TRP A 89 -0.194 42.511 70.453 1.00 32.14 C ATOM 1377 CZ2 TRP A 89 -1.333 42.004 67.915 1.00 53.54 C ATOM 1378 CZ3 TRP A 89 -0.024 41.296 69.817 1.00 34.03 C ATOM 1379 CH2 TRP A 89 -0.591 41.052 68.559 1.00 5.34 C ATOM 0 H TRP A 89 -1.894 44.228 73.278 1.00 33.45 H new ATOM 0 HA TRP A 89 -1.920 46.911 72.807 1.00 50.45 H new ATOM 0 HB2 TRP A 89 -0.366 46.451 71.164 1.00 43.44 H new ATOM 0 HB3 TRP A 89 -0.337 44.935 72.044 1.00 43.44 H new ATOM 0 HD1 TRP A 89 -2.512 46.297 69.076 1.00 3.41 H new ATOM 0 HE1 TRP A 89 -2.697 44.448 67.277 1.00 63.31 H new ATOM 0 HE3 TRP A 89 0.248 42.691 71.422 1.00 32.14 H new ATOM 0 HZ2 TRP A 89 -1.769 41.813 66.946 1.00 53.54 H new ATOM 0 HZ3 TRP A 89 0.556 40.522 70.298 1.00 34.03 H new ATOM 0 HH2 TRP A 89 -0.439 40.092 68.088 1.00 5.34 H new ATOM 1390 N GLN A 90 -4.285 45.465 71.164 1.00 11.11 N ATOM 1391 CA GLN A 90 -5.437 45.682 70.296 1.00 51.33 C ATOM 1392 C GLN A 90 -5.969 47.104 70.444 1.00 70.23 C ATOM 1393 O GLN A 90 -6.204 47.794 69.453 1.00 41.11 O ATOM 1394 CB GLN A 90 -6.543 44.675 70.618 1.00 64.14 C ATOM 1395 CG GLN A 90 -7.129 44.841 72.010 1.00 32.22 C ATOM 1396 CD GLN A 90 -8.210 45.903 72.065 1.00 60.24 C ATOM 1397 OE1 GLN A 90 -8.379 46.682 71.126 1.00 15.42 O ATOM 1398 NE2 GLN A 90 -8.948 45.941 73.169 1.00 3.22 N ATOM 0 H GLN A 90 -4.285 44.567 71.649 1.00 11.11 H new ATOM 0 HA GLN A 90 -5.115 45.539 69.265 1.00 51.33 H new ATOM 0 HB2 GLN A 90 -7.341 44.776 69.882 1.00 64.14 H new ATOM 0 HB3 GLN A 90 -6.144 43.665 70.519 1.00 64.14 H new ATOM 0 HG2 GLN A 90 -7.543 43.889 72.342 1.00 32.22 H new ATOM 0 HG3 GLN A 90 -6.332 45.102 72.707 1.00 32.22 H new ATOM 0 HE21 GLN A 90 -8.773 45.276 73.922 1.00 3.22 H new ATOM 0 HE22 GLN A 90 -9.689 46.635 73.263 1.00 3.22 H new ATOM 1407 N GLU A 91 -6.155 47.534 71.688 1.00 32.51 N ATOM 1408 CA GLU A 91 -6.661 48.874 71.964 1.00 33.24 C ATOM 1409 C GLU A 91 -5.530 49.897 71.942 1.00 73.32 C ATOM 1410 O GLU A 91 -5.554 50.849 71.161 1.00 73.30 O ATOM 1411 CB GLU A 91 -7.367 48.906 73.321 1.00 34.20 C ATOM 1412 CG GLU A 91 -8.448 49.970 73.420 1.00 42.31 C ATOM 1413 CD GLU A 91 -9.018 50.095 74.819 1.00 51.43 C ATOM 1414 OE1 GLU A 91 -9.844 49.241 75.203 1.00 43.21 O ATOM 1415 OE2 GLU A 91 -8.636 51.048 75.532 1.00 23.41 O ATOM 0 H GLU A 91 -5.963 46.975 72.520 1.00 32.51 H new ATOM 0 HA GLU A 91 -7.377 49.133 71.184 1.00 33.24 H new ATOM 0 HB2 GLU A 91 -7.812 47.929 73.513 1.00 34.20 H new ATOM 0 HB3 GLU A 91 -6.627 49.078 74.102 1.00 34.20 H new ATOM 0 HG2 GLU A 91 -8.036 50.931 73.113 1.00 42.31 H new ATOM 0 HG3 GLU A 91 -9.252 49.731 72.724 1.00 42.31 H new ATOM 1422 N TYR A 92 -4.541 49.695 72.805 1.00 4.02 N ATOM 1423 CA TYR A 92 -3.401 50.601 72.887 1.00 52.01 C ATOM 1424 C TYR A 92 -2.933 51.016 71.496 1.00 2.53 C ATOM 1425 O TYR A 92 -2.846 52.204 71.183 1.00 13.02 O ATOM 1426 CB TYR A 92 -2.252 49.941 73.650 1.00 63.12 C ATOM 1427 CG TYR A 92 -2.522 49.774 75.128 1.00 40.02 C ATOM 1428 CD1 TYR A 92 -3.026 50.824 75.885 1.00 1.51 C ATOM 1429 CD2 TYR A 92 -2.274 48.566 75.767 1.00 4.05 C ATOM 1430 CE1 TYR A 92 -3.274 50.675 77.236 1.00 70.52 C ATOM 1431 CE2 TYR A 92 -2.520 48.408 77.117 1.00 53.32 C ATOM 1432 CZ TYR A 92 -3.019 49.466 77.847 1.00 52.42 C ATOM 1433 OH TYR A 92 -3.266 49.314 79.193 1.00 62.22 O ATOM 0 H TYR A 92 -4.505 48.912 73.458 1.00 4.02 H new ATOM 0 HA TYR A 92 -3.718 51.495 73.424 1.00 52.01 H new ATOM 0 HB2 TYR A 92 -2.052 48.963 73.213 1.00 63.12 H new ATOM 0 HB3 TYR A 92 -1.350 50.539 73.520 1.00 63.12 H new ATOM 0 HD1 TYR A 92 -3.227 51.773 75.410 1.00 1.51 H new ATOM 0 HD2 TYR A 92 -1.882 47.736 75.198 1.00 4.05 H new ATOM 0 HE1 TYR A 92 -3.666 51.502 77.810 1.00 70.52 H new ATOM 0 HE2 TYR A 92 -2.323 47.461 77.598 1.00 53.32 H new ATOM 0 HH TYR A 92 -3.034 48.402 79.467 1.00 62.22 H new ATOM 1443 N THR A 93 -2.631 50.025 70.661 1.00 60.25 N ATOM 1444 CA THR A 93 -2.170 50.284 69.303 1.00 64.03 C ATOM 1445 C THR A 93 -3.052 51.317 68.611 1.00 4.54 C ATOM 1446 O THR A 93 -2.572 52.123 67.814 1.00 3.21 O ATOM 1447 CB THR A 93 -2.151 48.994 68.461 1.00 61.01 C ATOM 1448 OG1 THR A 93 -1.407 49.207 67.256 1.00 21.33 O ATOM 1449 CG2 THR A 93 -3.565 48.551 68.118 1.00 73.02 C ATOM 0 H THR A 93 -2.698 49.036 70.902 1.00 60.25 H new ATOM 0 HA THR A 93 -1.155 50.672 69.382 1.00 64.03 H new ATOM 0 HB THR A 93 -1.674 48.210 69.049 1.00 61.01 H new ATOM 0 HG1 THR A 93 -0.473 49.402 67.479 1.00 21.33 H new ATOM 0 HG21 THR A 93 -3.526 47.638 67.523 1.00 73.02 H new ATOM 0 HG22 THR A 93 -4.120 48.362 69.037 1.00 73.02 H new ATOM 0 HG23 THR A 93 -4.064 49.335 67.548 1.00 73.02 H new ATOM 1457 N ALA A 94 -4.344 51.287 68.921 1.00 64.43 N ATOM 1458 CA ALA A 94 -5.293 52.223 68.330 1.00 43.31 C ATOM 1459 C ALA A 94 -5.293 53.551 69.079 1.00 74.42 C ATOM 1460 O ALA A 94 -5.235 54.619 68.470 1.00 4.22 O ATOM 1461 CB ALA A 94 -6.690 51.621 68.319 1.00 25.44 C ATOM 0 H ALA A 94 -4.757 50.625 69.578 1.00 64.43 H new ATOM 0 HA ALA A 94 -4.984 52.416 67.303 1.00 43.31 H new ATOM 0 HB1 ALA A 94 -7.388 52.330 67.875 1.00 25.44 H new ATOM 0 HB2 ALA A 94 -6.685 50.702 67.733 1.00 25.44 H new ATOM 0 HB3 ALA A 94 -6.999 51.399 69.341 1.00 25.44 H new ATOM 1467 N MET A 95 -5.359 53.477 70.404 1.00 33.21 N ATOM 1468 CA MET A 95 -5.366 54.674 71.237 1.00 74.53 C ATOM 1469 C MET A 95 -4.328 55.681 70.750 1.00 14.13 C ATOM 1470 O MET A 95 -4.430 56.877 71.027 1.00 15.40 O ATOM 1471 CB MET A 95 -5.094 54.309 72.697 1.00 51.02 C ATOM 1472 CG MET A 95 -6.347 54.269 73.557 1.00 2.12 C ATOM 1473 SD MET A 95 -6.069 53.471 75.150 1.00 3.42 S ATOM 1474 CE MET A 95 -7.587 53.886 76.006 1.00 21.45 C ATOM 0 H MET A 95 -5.408 52.601 70.924 1.00 33.21 H new ATOM 0 HA MET A 95 -6.353 55.131 71.163 1.00 74.53 H new ATOM 0 HB2 MET A 95 -4.606 53.335 72.735 1.00 51.02 H new ATOM 0 HB3 MET A 95 -4.396 55.032 73.120 1.00 51.02 H new ATOM 0 HG2 MET A 95 -6.703 55.286 73.721 1.00 2.12 H new ATOM 0 HG3 MET A 95 -7.134 53.738 73.021 1.00 2.12 H new ATOM 0 HE1 MET A 95 -7.622 53.360 76.960 1.00 21.45 H new ATOM 0 HE2 MET A 95 -7.623 54.961 76.182 1.00 21.45 H new ATOM 0 HE3 MET A 95 -8.441 53.589 75.397 1.00 21.45 H new ATOM 1484 N LEU A 96 -3.330 55.190 70.025 1.00 23.32 N ATOM 1485 CA LEU A 96 -2.272 56.047 69.499 1.00 73.31 C ATOM 1486 C LEU A 96 -2.811 56.972 68.411 1.00 53.31 C ATOM 1487 O LEU A 96 -2.667 58.192 68.493 1.00 51.33 O ATOM 1488 CB LEU A 96 -1.129 55.197 68.942 1.00 30.02 C ATOM 1489 CG LEU A 96 -0.793 53.929 69.728 1.00 24.10 C ATOM 1490 CD1 LEU A 96 0.403 53.221 69.110 1.00 25.01 C ATOM 1491 CD2 LEU A 96 -0.522 54.261 71.188 1.00 63.34 C ATOM 0 H LEU A 96 -3.230 54.203 69.787 1.00 23.32 H new ATOM 0 HA LEU A 96 -1.894 56.660 70.317 1.00 73.31 H new ATOM 0 HB2 LEU A 96 -1.379 54.912 67.920 1.00 30.02 H new ATOM 0 HB3 LEU A 96 -0.234 55.817 68.890 1.00 30.02 H new ATOM 0 HG LEU A 96 -1.651 53.258 69.683 1.00 24.10 H new ATOM 0 HD11 LEU A 96 0.628 52.321 69.682 1.00 25.01 H new ATOM 0 HD12 LEU A 96 0.172 52.948 68.080 1.00 25.01 H new ATOM 0 HD13 LEU A 96 1.267 53.886 69.124 1.00 25.01 H new ATOM 0 HD21 LEU A 96 -0.285 53.346 71.731 1.00 63.34 H new ATOM 0 HD22 LEU A 96 0.319 54.951 71.254 1.00 63.34 H new ATOM 0 HD23 LEU A 96 -1.406 54.724 71.626 1.00 63.34 H new ATOM 1503 N ARG A 97 -3.432 56.383 67.395 1.00 14.53 N ATOM 1504 CA ARG A 97 -3.992 57.153 66.292 1.00 61.20 C ATOM 1505 C ARG A 97 -5.368 57.704 66.657 1.00 51.42 C ATOM 1506 O ARG A 97 -5.690 58.850 66.346 1.00 50.35 O ATOM 1507 CB ARG A 97 -4.096 56.286 65.036 1.00 10.12 C ATOM 1508 CG ARG A 97 -4.763 54.942 65.278 1.00 14.51 C ATOM 1509 CD ARG A 97 -3.871 53.790 64.840 1.00 35.11 C ATOM 1510 NE ARG A 97 -3.986 53.523 63.409 1.00 42.40 N ATOM 1511 CZ ARG A 97 -4.989 52.841 62.867 1.00 44.54 C ATOM 1512 NH1 ARG A 97 -5.958 52.359 63.632 1.00 32.52 N ATOM 1513 NH2 ARG A 97 -5.022 52.639 61.555 1.00 52.42 N ATOM 0 H ARG A 97 -3.560 55.374 67.313 1.00 14.53 H new ATOM 0 HA ARG A 97 -3.324 57.991 66.092 1.00 61.20 H new ATOM 0 HB2 ARG A 97 -4.657 56.829 64.275 1.00 10.12 H new ATOM 0 HB3 ARG A 97 -3.096 56.119 64.636 1.00 10.12 H new ATOM 0 HG2 ARG A 97 -5.000 54.838 66.337 1.00 14.51 H new ATOM 0 HG3 ARG A 97 -5.707 54.900 64.734 1.00 14.51 H new ATOM 0 HD2 ARG A 97 -2.834 54.021 65.083 1.00 35.11 H new ATOM 0 HD3 ARG A 97 -4.137 52.893 65.399 1.00 35.11 H new ATOM 0 HE ARG A 97 -3.256 53.880 62.792 1.00 42.40 H new ATOM 0 HH11 ARG A 97 -5.935 52.511 64.640 1.00 32.52 H new ATOM 0 HH12 ARG A 97 -6.727 51.836 63.212 1.00 32.52 H new ATOM 0 HH21 ARG A 97 -4.277 53.007 60.963 1.00 52.42 H new ATOM 0 HH22 ARG A 97 -5.792 52.115 61.139 1.00 52.42 H new ATOM 1527 N GLU A 98 -6.174 56.880 67.318 1.00 4.43 N ATOM 1528 CA GLU A 98 -7.515 57.284 67.723 1.00 51.24 C ATOM 1529 C GLU A 98 -7.461 58.189 68.952 1.00 65.44 C ATOM 1530 O GLU A 98 -7.996 59.298 68.942 1.00 13.13 O ATOM 1531 CB GLU A 98 -8.375 56.055 68.019 1.00 13.13 C ATOM 1532 CG GLU A 98 -9.808 56.392 68.396 1.00 33.44 C ATOM 1533 CD GLU A 98 -10.697 56.593 67.185 1.00 20.32 C ATOM 1534 OE1 GLU A 98 -10.908 55.618 66.433 1.00 1.10 O ATOM 1535 OE2 GLU A 98 -11.184 57.727 66.988 1.00 5.31 O ATOM 0 H GLU A 98 -5.922 55.928 67.585 1.00 4.43 H new ATOM 0 HA GLU A 98 -7.963 57.841 66.901 1.00 51.24 H new ATOM 0 HB2 GLU A 98 -8.381 55.407 67.143 1.00 13.13 H new ATOM 0 HB3 GLU A 98 -7.918 55.489 68.831 1.00 13.13 H new ATOM 0 HG2 GLU A 98 -10.216 55.591 69.012 1.00 33.44 H new ATOM 0 HG3 GLU A 98 -9.817 57.297 69.003 1.00 33.44 H new ATOM 1542 N ARG A 99 -6.812 57.707 70.006 1.00 50.23 N ATOM 1543 CA ARG A 99 -6.690 58.471 71.243 1.00 65.23 C ATOM 1544 C ARG A 99 -5.364 59.225 71.287 1.00 73.21 C ATOM 1545 O ARG A 99 -4.868 59.567 72.361 1.00 63.22 O ATOM 1546 CB ARG A 99 -6.801 57.543 72.453 1.00 21.01 C ATOM 1547 CG ARG A 99 -7.491 58.180 73.648 1.00 30.41 C ATOM 1548 CD ARG A 99 -8.997 57.978 73.595 1.00 2.24 C ATOM 1549 NE ARG A 99 -9.494 57.253 74.761 1.00 31.10 N ATOM 1550 CZ ARG A 99 -10.752 57.314 75.184 1.00 60.14 C ATOM 1551 NH1 ARG A 99 -11.635 58.063 74.539 1.00 72.23 N ATOM 1552 NH2 ARG A 99 -11.128 56.625 76.253 1.00 51.31 N ATOM 0 H ARG A 99 -6.362 56.792 70.029 1.00 50.23 H new ATOM 0 HA ARG A 99 -7.503 59.197 71.274 1.00 65.23 H new ATOM 0 HB2 ARG A 99 -7.349 56.646 72.163 1.00 21.01 H new ATOM 0 HB3 ARG A 99 -5.801 57.224 72.749 1.00 21.01 H new ATOM 0 HG2 ARG A 99 -7.097 57.750 74.569 1.00 30.41 H new ATOM 0 HG3 ARG A 99 -7.267 59.246 73.673 1.00 30.41 H new ATOM 0 HD2 ARG A 99 -9.491 58.948 73.534 1.00 2.24 H new ATOM 0 HD3 ARG A 99 -9.257 57.430 72.689 1.00 2.24 H new ATOM 0 HE ARG A 99 -8.839 56.667 75.279 1.00 31.10 H new ATOM 0 HH11 ARG A 99 -11.349 58.594 73.716 1.00 72.23 H new ATOM 0 HH12 ARG A 99 -12.600 58.108 74.865 1.00 72.23 H new ATOM 0 HH21 ARG A 99 -10.451 56.047 76.752 1.00 51.31 H new ATOM 0 HH22 ARG A 99 -12.094 56.673 76.577 1.00 51.31 H new ATOM 1566 N PHE A 100 -4.795 59.481 70.113 1.00 72.22 N ATOM 1567 CA PHE A 100 -3.527 60.194 70.017 1.00 14.20 C ATOM 1568 C PHE A 100 -3.465 61.332 71.032 1.00 11.20 C ATOM 1569 O PHE A 100 -2.383 61.748 71.449 1.00 34.43 O ATOM 1570 CB PHE A 100 -3.333 60.746 68.604 1.00 45.12 C ATOM 1571 CG PHE A 100 -4.041 62.048 68.366 1.00 51.03 C ATOM 1572 CD1 PHE A 100 -5.393 62.073 68.067 1.00 13.34 C ATOM 1573 CD2 PHE A 100 -3.354 63.250 68.440 1.00 42.41 C ATOM 1574 CE1 PHE A 100 -6.049 63.270 67.848 1.00 44.24 C ATOM 1575 CE2 PHE A 100 -4.003 64.450 68.222 1.00 31.04 C ATOM 1576 CZ PHE A 100 -5.353 64.460 67.925 1.00 43.31 C ATOM 0 H PHE A 100 -5.192 59.205 69.215 1.00 72.22 H new ATOM 0 HA PHE A 100 -2.725 59.489 70.237 1.00 14.20 H new ATOM 0 HB2 PHE A 100 -2.267 60.882 68.419 1.00 45.12 H new ATOM 0 HB3 PHE A 100 -3.690 60.011 67.883 1.00 45.12 H new ATOM 0 HD1 PHE A 100 -5.942 61.145 68.004 1.00 13.34 H new ATOM 0 HD2 PHE A 100 -2.299 63.248 68.671 1.00 42.41 H new ATOM 0 HE1 PHE A 100 -7.104 63.274 67.617 1.00 44.24 H new ATOM 0 HE2 PHE A 100 -3.456 65.379 68.284 1.00 31.04 H new ATOM 0 HZ PHE A 100 -5.862 65.397 67.754 1.00 43.31 H new ATOM 1586 N ALA A 101 -4.632 61.832 71.426 1.00 5.14 N ATOM 1587 CA ALA A 101 -4.711 62.920 72.392 1.00 14.35 C ATOM 1588 C ALA A 101 -3.950 62.577 73.668 1.00 1.34 C ATOM 1589 O ALA A 101 -3.219 63.406 74.208 1.00 55.12 O ATOM 1590 CB ALA A 101 -6.164 63.237 72.711 1.00 73.42 C ATOM 0 H ALA A 101 -5.536 61.500 71.090 1.00 5.14 H new ATOM 0 HA ALA A 101 -4.247 63.801 71.949 1.00 14.35 H new ATOM 0 HB1 ALA A 101 -6.208 64.052 73.434 1.00 73.42 H new ATOM 0 HB2 ALA A 101 -6.681 63.533 71.798 1.00 73.42 H new ATOM 0 HB3 ALA A 101 -6.646 62.353 73.130 1.00 73.42 H new ATOM 1596 N GLY A 102 -4.126 61.348 74.146 1.00 63.42 N ATOM 1597 CA GLY A 102 -3.449 60.918 75.355 1.00 34.23 C ATOM 1598 C GLY A 102 -1.941 60.970 75.225 1.00 5.33 C ATOM 1599 O GLY A 102 -1.226 61.062 76.224 1.00 73.14 O ATOM 0 H GLY A 102 -4.726 60.643 73.717 1.00 63.42 H new ATOM 0 HA2 GLY A 102 -3.761 61.550 76.187 1.00 34.23 H new ATOM 0 HA3 GLY A 102 -3.755 59.900 75.596 1.00 34.23 H new ATOM 1603 N LEU A 103 -1.453 60.908 73.991 1.00 0.52 N ATOM 1604 CA LEU A 103 -0.017 60.945 73.733 1.00 72.51 C ATOM 1605 C LEU A 103 0.578 62.280 74.166 1.00 41.14 C ATOM 1606 O LEU A 103 0.446 63.286 73.468 1.00 55.23 O ATOM 1607 CB LEU A 103 0.260 60.708 72.247 1.00 43.44 C ATOM 1608 CG LEU A 103 -0.543 59.588 71.585 1.00 30.24 C ATOM 1609 CD1 LEU A 103 -0.372 59.630 70.074 1.00 43.42 C ATOM 1610 CD2 LEU A 103 -0.123 58.233 72.134 1.00 45.25 C ATOM 0 H LEU A 103 -2.030 60.832 73.153 1.00 0.52 H new ATOM 0 HA LEU A 103 0.453 60.152 74.315 1.00 72.51 H new ATOM 0 HB2 LEU A 103 0.064 61.635 71.709 1.00 43.44 H new ATOM 0 HB3 LEU A 103 1.321 60.488 72.126 1.00 43.44 H new ATOM 0 HG LEU A 103 -1.598 59.739 71.815 1.00 30.24 H new ATOM 0 HD11 LEU A 103 -0.951 58.826 69.620 1.00 43.42 H new ATOM 0 HD12 LEU A 103 -0.724 60.589 69.695 1.00 43.42 H new ATOM 0 HD13 LEU A 103 0.681 59.505 69.823 1.00 43.42 H new ATOM 0 HD21 LEU A 103 -0.705 57.448 71.651 1.00 45.25 H new ATOM 0 HD22 LEU A 103 0.937 58.073 71.936 1.00 45.25 H new ATOM 0 HD23 LEU A 103 -0.299 58.206 73.209 1.00 45.25 H new