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 Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.251 K(o=-0.25,f=-2!) USER MOD Single : A 34 LYS NZ :NH3+ -177:sc= -1.65 (180deg=-1.74) USER MOD Single : A 37 MET CE :methyl -166:sc= -1.81! (180deg=-2.15) USER MOD Single : A 38 GLN : amide:sc= -5.23! C(o=-5.2!,f=-8.1!) USER MOD Single : A 39 ASN : amide:sc= -3.89 X(o=-3.9,f=-4.2!) USER MOD Single : A 44 HIS : no HD1:sc= -0.0649 X(o=-0.065,f=-0.065) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 155:sc= -2.52 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=0.3) USER MOD Single : A 58 SER OG : rot -123:sc= 0.74 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 74:sc= 0.134 USER MOD Single : A 65 HIS : no HD1:sc= -0.0401 X(o=-0.04,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0236 X(o=-0.024,f=-0.032) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.0262 X(o=-0.026,f=-0.38) 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= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 169:sc= 0 (180deg=-0.163) USER MOD Single : A 88 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.35) USER MOD Single : A 90 GLN : amide:sc= -3.33! C(o=-3.3!,f=-4.1!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 158:sc= 1.48 USER MOD Single : A 95 MET CE :methyl -118:sc= 0 (180deg=-0.0296) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 15.742 48.741 68.022 1.00 2.12 N ATOM 249 CA LYS A 17 15.680 47.308 67.759 1.00 41.21 C ATOM 250 C LYS A 17 14.235 46.820 67.743 1.00 4.11 C ATOM 251 O LYS A 17 13.372 47.386 68.411 1.00 35.34 O ATOM 252 CB LYS A 17 16.477 46.540 68.816 1.00 10.33 C ATOM 253 CG LYS A 17 16.139 46.939 70.242 1.00 75.02 C ATOM 254 CD LYS A 17 17.055 46.258 71.245 1.00 72.33 C ATOM 255 CE LYS A 17 18.376 46.998 71.386 1.00 20.21 C ATOM 256 NZ LYS A 17 19.538 46.068 71.375 1.00 3.14 N ATOM 0 HA LYS A 17 16.118 47.125 66.778 1.00 41.21 H new ATOM 0 HB2 LYS A 17 16.293 45.473 68.693 1.00 10.33 H new ATOM 0 HB3 LYS A 17 17.541 46.702 68.645 1.00 10.33 H new ATOM 0 HG2 LYS A 17 16.223 48.021 70.347 1.00 75.02 H new ATOM 0 HG3 LYS A 17 15.103 46.677 70.458 1.00 75.02 H new ATOM 0 HD2 LYS A 17 16.560 46.207 72.215 1.00 72.33 H new ATOM 0 HD3 LYS A 17 17.244 45.232 70.929 1.00 72.33 H new ATOM 0 HE2 LYS A 17 18.478 47.716 70.572 1.00 20.21 H new ATOM 0 HE3 LYS A 17 18.376 47.567 72.316 1.00 20.21 H new ATOM 0 HZ1 LYS A 17 20.419 46.612 71.473 1.00 3.14 H new ATOM 0 HZ2 LYS A 17 19.454 45.398 72.166 1.00 3.14 H new ATOM 0 HZ3 LYS A 17 19.554 45.543 70.477 1.00 3.14 H new ATOM 270 N TRP A 18 13.981 45.765 66.976 1.00 63.23 N ATOM 271 CA TRP A 18 12.641 45.200 66.874 1.00 73.42 C ATOM 272 C TRP A 18 12.070 44.900 68.255 1.00 12.32 C ATOM 273 O TRP A 18 12.736 45.105 69.271 1.00 31.43 O ATOM 274 CB TRP A 18 12.665 43.924 66.031 1.00 3.11 C ATOM 275 CG TRP A 18 13.925 43.129 66.194 1.00 32.14 C ATOM 276 CD1 TRP A 18 14.671 43.001 67.330 1.00 43.23 C ATOM 277 CD2 TRP A 18 14.585 42.352 65.189 1.00 33.33 C ATOM 278 NE1 TRP A 18 15.756 42.192 67.092 1.00 64.31 N ATOM 279 CE2 TRP A 18 15.725 41.781 65.785 1.00 3.40 C ATOM 280 CE3 TRP A 18 14.322 42.083 63.843 1.00 23.05 C ATOM 281 CZ2 TRP A 18 16.600 40.958 65.081 1.00 3.31 C ATOM 282 CZ3 TRP A 18 15.192 41.267 63.145 1.00 13.02 C ATOM 283 CH2 TRP A 18 16.319 40.711 63.765 1.00 73.33 C ATOM 0 H TRP A 18 14.685 45.284 66.416 1.00 63.23 H new ATOM 0 HA TRP A 18 12.000 45.936 66.388 1.00 73.42 H new ATOM 0 HB2 TRP A 18 11.813 43.301 66.303 1.00 3.11 H new ATOM 0 HB3 TRP A 18 12.544 44.189 64.981 1.00 3.11 H new ATOM 0 HD1 TRP A 18 14.442 43.467 68.277 1.00 43.23 H new ATOM 0 HE1 TRP A 18 16.468 41.939 67.777 1.00 64.31 H new ATOM 0 HE3 TRP A 18 13.455 42.505 63.357 1.00 23.05 H new ATOM 0 HZ2 TRP A 18 17.470 40.530 65.557 1.00 3.31 H new ATOM 0 HZ3 TRP A 18 15.000 41.054 62.104 1.00 13.02 H new ATOM 0 HH2 TRP A 18 16.979 40.075 63.193 1.00 73.33 H new ATOM 294 N LEU A 19 10.834 44.414 68.287 1.00 60.32 N ATOM 295 CA LEU A 19 10.173 44.085 69.545 1.00 52.44 C ATOM 296 C LEU A 19 10.798 42.848 70.182 1.00 32.32 C ATOM 297 O LEU A 19 10.956 42.777 71.401 1.00 11.04 O ATOM 298 CB LEU A 19 8.679 43.854 69.315 1.00 73.10 C ATOM 299 CG LEU A 19 7.819 43.713 70.572 1.00 22.15 C ATOM 300 CD1 LEU A 19 7.832 45.003 71.375 1.00 32.41 C ATOM 301 CD2 LEU A 19 6.394 43.325 70.203 1.00 70.34 C ATOM 0 H LEU A 19 10.269 44.239 67.456 1.00 60.32 H new ATOM 0 HA LEU A 19 10.303 44.927 70.225 1.00 52.44 H new ATOM 0 HB2 LEU A 19 8.290 44.684 68.725 1.00 73.10 H new ATOM 0 HB3 LEU A 19 8.560 42.952 68.715 1.00 73.10 H new ATOM 0 HG LEU A 19 8.241 42.921 71.191 1.00 22.15 H new ATOM 0 HD11 LEU A 19 7.215 44.884 72.265 1.00 32.41 H new ATOM 0 HD12 LEU A 19 8.855 45.237 71.671 1.00 32.41 H new ATOM 0 HD13 LEU A 19 7.436 45.815 70.765 1.00 32.41 H new ATOM 0 HD21 LEU A 19 5.797 43.229 71.110 1.00 70.34 H new ATOM 0 HD22 LEU A 19 5.962 44.094 69.563 1.00 70.34 H new ATOM 0 HD23 LEU A 19 6.402 42.373 69.672 1.00 70.34 H new ATOM 313 N ASP A 20 11.154 41.876 69.349 1.00 61.43 N ATOM 314 CA ASP A 20 11.765 40.643 69.829 1.00 71.34 C ATOM 315 C ASP A 20 13.134 40.919 70.446 1.00 32.53 C ATOM 316 O ASP A 20 13.820 41.865 70.061 1.00 12.34 O ATOM 317 CB ASP A 20 11.902 39.637 68.685 1.00 72.02 C ATOM 318 CG ASP A 20 11.218 38.319 68.989 1.00 5.54 C ATOM 319 OD1 ASP A 20 11.131 37.957 70.181 1.00 12.24 O ATOM 320 OD2 ASP A 20 10.771 37.649 68.035 1.00 12.12 O ATOM 0 H ASP A 20 11.030 41.919 68.338 1.00 61.43 H new ATOM 0 HA ASP A 20 11.117 40.221 70.598 1.00 71.34 H new ATOM 0 HB2 ASP A 20 11.476 40.063 67.777 1.00 72.02 H new ATOM 0 HB3 ASP A 20 12.959 39.458 68.487 1.00 72.02 H new ATOM 325 N GLY A 21 13.522 40.086 71.407 1.00 42.34 N ATOM 326 CA GLY A 21 14.805 40.258 72.062 1.00 51.23 C ATOM 327 C GLY A 21 15.165 41.717 72.260 1.00 20.10 C ATOM 328 O GLY A 21 15.990 42.266 71.528 1.00 65.40 O ATOM 0 H GLY A 21 12.971 39.296 71.743 1.00 42.34 H new ATOM 0 HA2 GLY A 21 14.785 39.758 73.030 1.00 51.23 H new ATOM 0 HA3 GLY A 21 15.580 39.773 71.469 1.00 51.23 H new ATOM 332 N LEU A 22 14.545 42.349 73.250 1.00 22.11 N ATOM 333 CA LEU A 22 14.803 43.755 73.541 1.00 31.30 C ATOM 334 C LEU A 22 15.639 43.905 74.808 1.00 63.00 C ATOM 335 O LEU A 22 15.653 43.019 75.662 1.00 1.30 O ATOM 336 CB LEU A 22 13.484 44.516 73.693 1.00 3.22 C ATOM 337 CG LEU A 22 13.527 46.008 73.361 1.00 4.13 C ATOM 338 CD1 LEU A 22 12.867 46.274 72.017 1.00 52.31 C ATOM 339 CD2 LEU A 22 12.853 46.818 74.458 1.00 61.03 C ATOM 0 H LEU A 22 13.860 41.910 73.865 1.00 22.11 H new ATOM 0 HA LEU A 22 15.364 44.176 72.706 1.00 31.30 H new ATOM 0 HB2 LEU A 22 12.739 44.043 73.053 1.00 3.22 H new ATOM 0 HB3 LEU A 22 13.139 44.403 74.721 1.00 3.22 H new ATOM 0 HG LEU A 22 14.570 46.317 73.298 1.00 4.13 H new ATOM 0 HD11 LEU A 22 12.907 47.341 71.797 1.00 52.31 H new ATOM 0 HD12 LEU A 22 13.393 45.723 71.238 1.00 52.31 H new ATOM 0 HD13 LEU A 22 11.827 45.949 72.052 1.00 52.31 H new ATOM 0 HD21 LEU A 22 12.893 47.877 74.205 1.00 61.03 H new ATOM 0 HD22 LEU A 22 11.813 46.507 74.553 1.00 61.03 H new ATOM 0 HD23 LEU A 22 13.370 46.651 75.403 1.00 61.03 H new ATOM 351 N ARG A 23 16.333 45.033 74.923 1.00 13.15 N ATOM 352 CA ARG A 23 17.170 45.299 76.086 1.00 41.13 C ATOM 353 C ARG A 23 16.800 46.633 76.729 1.00 13.21 C ATOM 354 O ARG A 23 16.325 47.547 76.056 1.00 11.11 O ATOM 355 CB ARG A 23 18.646 45.306 75.688 1.00 70.14 C ATOM 356 CG ARG A 23 19.438 44.143 76.263 1.00 45.43 C ATOM 357 CD ARG A 23 20.433 44.611 77.313 1.00 12.50 C ATOM 358 NE ARG A 23 19.841 44.650 78.648 1.00 63.13 N ATOM 359 CZ ARG A 23 19.500 43.565 79.333 1.00 21.13 C ATOM 360 NH1 ARG A 23 19.690 42.361 78.811 1.00 43.24 N ATOM 361 NH2 ARG A 23 18.967 43.682 80.542 1.00 13.02 N ATOM 0 H ARG A 23 16.332 45.777 74.225 1.00 13.15 H new ATOM 0 HA ARG A 23 17.000 44.505 76.813 1.00 41.13 H new ATOM 0 HB2 ARG A 23 18.720 45.283 74.601 1.00 70.14 H new ATOM 0 HB3 ARG A 23 19.098 46.241 76.019 1.00 70.14 H new ATOM 0 HG2 ARG A 23 18.754 43.419 76.706 1.00 45.43 H new ATOM 0 HG3 ARG A 23 19.968 43.631 75.460 1.00 45.43 H new ATOM 0 HD2 ARG A 23 21.295 43.944 77.318 1.00 12.50 H new ATOM 0 HD3 ARG A 23 20.799 45.603 77.049 1.00 12.50 H new ATOM 0 HE ARG A 23 19.681 45.561 79.078 1.00 63.13 H new ATOM 0 HH11 ARG A 23 20.099 42.267 77.881 1.00 43.24 H new ATOM 0 HH12 ARG A 23 19.427 41.529 79.339 1.00 43.24 H new ATOM 0 HH21 ARG A 23 18.819 44.606 80.947 1.00 13.02 H new ATOM 0 HH22 ARG A 23 18.706 42.848 81.067 1.00 13.02 H new ATOM 449 N GLN A 30 6.422 52.065 76.439 1.00 53.25 N ATOM 450 CA GLN A 30 5.602 52.228 75.244 1.00 4.30 C ATOM 451 C GLN A 30 6.440 52.734 74.074 1.00 55.14 C ATOM 452 O GLN A 30 5.904 53.159 73.052 1.00 64.24 O ATOM 453 CB GLN A 30 4.450 53.195 75.519 1.00 20.42 C ATOM 454 CG GLN A 30 3.311 52.576 76.313 1.00 44.31 C ATOM 455 CD GLN A 30 3.330 52.984 77.774 1.00 22.43 C ATOM 456 OE1 GLN A 30 3.853 54.041 78.128 1.00 34.34 O ATOM 457 NE2 GLN A 30 2.756 52.147 78.629 1.00 2.14 N ATOM 0 HA GLN A 30 5.192 51.253 74.978 1.00 4.30 H new ATOM 0 HB2 GLN A 30 4.834 54.058 76.063 1.00 20.42 H new ATOM 0 HB3 GLN A 30 4.062 53.563 74.569 1.00 20.42 H new ATOM 0 HG2 GLN A 30 2.361 52.872 75.869 1.00 44.31 H new ATOM 0 HG3 GLN A 30 3.371 51.490 76.242 1.00 44.31 H new ATOM 0 HE21 GLN A 30 2.335 51.282 78.291 1.00 2.14 H new ATOM 0 HE22 GLN A 30 2.736 52.369 79.624 1.00 2.14 H new ATOM 466 N GLY A 31 7.760 52.688 74.234 1.00 53.01 N ATOM 467 CA GLY A 31 8.650 53.147 73.184 1.00 42.40 C ATOM 468 C GLY A 31 8.331 52.522 71.840 1.00 70.15 C ATOM 469 O GLY A 31 8.726 53.044 70.796 1.00 1.23 O ATOM 0 H GLY A 31 8.228 52.341 75.071 1.00 53.01 H new ATOM 0 HA2 GLY A 31 8.582 54.232 73.102 1.00 42.40 H new ATOM 0 HA3 GLY A 31 9.679 52.912 73.456 1.00 42.40 H new ATOM 473 N ASP A 32 7.616 51.404 71.864 1.00 2.32 N ATOM 474 CA ASP A 32 7.244 50.706 70.638 1.00 72.31 C ATOM 475 C ASP A 32 6.119 51.442 69.915 1.00 44.21 C ATOM 476 O ASP A 32 6.267 51.842 68.760 1.00 5.52 O ATOM 477 CB ASP A 32 6.814 49.273 70.951 1.00 32.21 C ATOM 478 CG ASP A 32 6.160 48.592 69.765 1.00 2.10 C ATOM 479 OD1 ASP A 32 4.927 48.718 69.615 1.00 43.21 O ATOM 480 OD2 ASP A 32 6.882 47.933 68.986 1.00 0.42 O ATOM 0 H ASP A 32 7.282 50.960 72.719 1.00 2.32 H new ATOM 0 HA ASP A 32 8.116 50.680 69.985 1.00 72.31 H new ATOM 0 HB2 ASP A 32 7.684 48.696 71.263 1.00 32.21 H new ATOM 0 HB3 ASP A 32 6.119 49.281 71.791 1.00 32.21 H new ATOM 485 N VAL A 33 4.996 51.616 70.602 1.00 15.21 N ATOM 486 CA VAL A 33 3.846 52.302 70.026 1.00 20.34 C ATOM 487 C VAL A 33 4.098 53.802 69.919 1.00 13.15 C ATOM 488 O VAL A 33 3.463 54.496 69.124 1.00 2.53 O ATOM 489 CB VAL A 33 2.574 52.065 70.861 1.00 34.32 C ATOM 490 CG1 VAL A 33 2.196 50.592 70.851 1.00 13.32 C ATOM 491 CG2 VAL A 33 2.771 52.564 72.285 1.00 20.45 C ATOM 0 H VAL A 33 4.857 51.291 71.559 1.00 15.21 H new ATOM 0 HA VAL A 33 3.699 51.889 69.028 1.00 20.34 H new ATOM 0 HB VAL A 33 1.756 52.629 70.413 1.00 34.32 H new ATOM 0 HG11 VAL A 33 1.295 50.444 71.446 1.00 13.32 H new ATOM 0 HG12 VAL A 33 2.011 50.271 69.826 1.00 13.32 H new ATOM 0 HG13 VAL A 33 3.011 50.004 71.274 1.00 13.32 H new ATOM 0 HG21 VAL A 33 1.862 52.389 72.861 1.00 20.45 H new ATOM 0 HG22 VAL A 33 3.602 52.030 72.746 1.00 20.45 H new ATOM 0 HG23 VAL A 33 2.990 53.632 72.269 1.00 20.45 H new ATOM 501 N LYS A 34 5.030 54.299 70.725 1.00 11.12 N ATOM 502 CA LYS A 34 5.370 55.716 70.722 1.00 34.44 C ATOM 503 C LYS A 34 6.045 56.111 69.413 1.00 24.10 C ATOM 504 O LYS A 34 5.875 57.229 68.927 1.00 33.52 O ATOM 505 CB LYS A 34 6.287 56.045 71.901 1.00 41.42 C ATOM 506 CG LYS A 34 6.936 57.415 71.804 1.00 63.31 C ATOM 507 CD LYS A 34 8.325 57.419 72.419 1.00 52.43 C ATOM 508 CE LYS A 34 9.402 57.206 71.367 1.00 3.11 C ATOM 509 NZ LYS A 34 10.137 55.928 71.576 1.00 44.21 N ATOM 0 H LYS A 34 5.564 53.740 71.390 1.00 11.12 H new ATOM 0 HA LYS A 34 4.446 56.285 70.820 1.00 34.44 H new ATOM 0 HB2 LYS A 34 5.711 55.990 72.825 1.00 41.42 H new ATOM 0 HB3 LYS A 34 7.067 55.287 71.966 1.00 41.42 H new ATOM 0 HG2 LYS A 34 6.999 57.715 70.758 1.00 63.31 H new ATOM 0 HG3 LYS A 34 6.311 58.151 72.310 1.00 63.31 H new ATOM 0 HD2 LYS A 34 8.495 58.367 72.929 1.00 52.43 H new ATOM 0 HD3 LYS A 34 8.392 56.635 73.173 1.00 52.43 H new ATOM 0 HE2 LYS A 34 8.947 57.205 70.377 1.00 3.11 H new ATOM 0 HE3 LYS A 34 10.106 58.038 71.394 1.00 3.11 H new ATOM 0 HZ1 LYS A 34 10.896 55.844 70.869 1.00 44.21 H new ATOM 0 HZ2 LYS A 34 10.550 55.917 72.530 1.00 44.21 H new ATOM 0 HZ3 LYS A 34 9.479 55.129 71.474 1.00 44.21 H new ATOM 523 N VAL A 35 6.812 55.185 68.846 1.00 70.35 N ATOM 524 CA VAL A 35 7.512 55.436 67.591 1.00 0.24 C ATOM 525 C VAL A 35 6.658 55.030 66.395 1.00 1.42 C ATOM 526 O VAL A 35 6.904 55.462 65.269 1.00 31.20 O ATOM 527 CB VAL A 35 8.850 54.676 67.534 1.00 44.02 C ATOM 528 CG1 VAL A 35 9.735 55.062 68.709 1.00 33.40 C ATOM 529 CG2 VAL A 35 8.610 53.174 67.508 1.00 33.14 C ATOM 0 H VAL A 35 6.965 54.255 69.235 1.00 70.35 H new ATOM 0 HA VAL A 35 7.709 56.507 67.546 1.00 0.24 H new ATOM 0 HB VAL A 35 9.366 54.954 66.615 1.00 44.02 H new ATOM 0 HG11 VAL A 35 10.676 54.515 68.651 1.00 33.40 H new ATOM 0 HG12 VAL A 35 9.936 56.133 68.677 1.00 33.40 H new ATOM 0 HG13 VAL A 35 9.229 54.816 69.642 1.00 33.40 H new ATOM 0 HG21 VAL A 35 9.567 52.653 67.468 1.00 33.14 H new ATOM 0 HG22 VAL A 35 8.072 52.876 68.408 1.00 33.14 H new ATOM 0 HG23 VAL A 35 8.019 52.915 66.630 1.00 33.14 H new ATOM 539 N TRP A 36 5.654 54.198 66.648 1.00 41.20 N ATOM 540 CA TRP A 36 4.762 53.734 65.591 1.00 34.51 C ATOM 541 C TRP A 36 4.413 54.870 64.635 1.00 11.52 C ATOM 542 O TRP A 36 4.613 54.757 63.426 1.00 73.45 O ATOM 543 CB TRP A 36 3.485 53.149 66.194 1.00 14.12 C ATOM 544 CG TRP A 36 3.391 51.659 66.057 1.00 4.31 C ATOM 545 CD1 TRP A 36 4.277 50.735 66.531 1.00 65.45 C ATOM 546 CD2 TRP A 36 2.353 50.923 65.400 1.00 1.52 C ATOM 547 NE1 TRP A 36 3.854 49.468 66.207 1.00 41.22 N ATOM 548 CE2 TRP A 36 2.676 49.556 65.516 1.00 25.25 C ATOM 549 CE3 TRP A 36 1.182 51.283 64.729 1.00 62.43 C ATOM 550 CZ2 TRP A 36 1.870 48.554 64.982 1.00 22.34 C ATOM 551 CZ3 TRP A 36 0.384 50.289 64.199 1.00 4.54 C ATOM 552 CH2 TRP A 36 0.730 48.936 64.329 1.00 14.14 C ATOM 0 H TRP A 36 5.437 53.831 67.575 1.00 41.20 H new ATOM 0 HA TRP A 36 5.279 52.957 65.029 1.00 34.51 H new ATOM 0 HB2 TRP A 36 3.437 53.413 67.250 1.00 14.12 H new ATOM 0 HB3 TRP A 36 2.621 53.606 65.711 1.00 14.12 H new ATOM 0 HD1 TRP A 36 5.178 50.966 67.080 1.00 65.45 H new ATOM 0 HE1 TRP A 36 4.339 48.603 66.443 1.00 41.22 H new ATOM 0 HE3 TRP A 36 0.905 52.322 64.627 1.00 62.43 H new ATOM 0 HZ2 TRP A 36 2.135 47.512 65.080 1.00 22.34 H new ATOM 0 HZ3 TRP A 36 -0.522 50.558 63.676 1.00 4.54 H new ATOM 0 HH2 TRP A 36 0.084 48.181 63.905 1.00 14.14 H new ATOM 563 N MET A 37 3.892 55.962 65.185 1.00 2.51 N ATOM 564 CA MET A 37 3.517 57.117 64.379 1.00 73.25 C ATOM 565 C MET A 37 4.718 58.031 64.148 1.00 33.35 C ATOM 566 O MET A 37 4.993 58.433 63.018 1.00 74.52 O ATOM 567 CB MET A 37 2.392 57.898 65.061 1.00 12.03 C ATOM 568 CG MET A 37 1.453 57.023 65.876 1.00 1.05 C ATOM 569 SD MET A 37 1.278 57.590 67.579 1.00 72.11 S ATOM 570 CE MET A 37 2.980 57.523 68.134 1.00 34.10 C ATOM 0 H MET A 37 3.720 56.071 66.185 1.00 2.51 H new ATOM 0 HA MET A 37 3.165 56.756 63.413 1.00 73.25 H new ATOM 0 HB2 MET A 37 2.829 58.654 65.713 1.00 12.03 H new ATOM 0 HB3 MET A 37 1.816 58.427 64.302 1.00 12.03 H new ATOM 0 HG2 MET A 37 0.473 57.007 65.400 1.00 1.05 H new ATOM 0 HG3 MET A 37 1.825 55.998 65.875 1.00 1.05 H new ATOM 0 HE1 MET A 37 3.012 57.601 69.221 1.00 34.10 H new ATOM 0 HE2 MET A 37 3.427 56.578 67.825 1.00 34.10 H new ATOM 0 HE3 MET A 37 3.539 58.349 67.695 1.00 34.10 H new ATOM 580 N GLN A 38 5.425 58.353 65.225 1.00 63.13 N ATOM 581 CA GLN A 38 6.595 59.220 65.138 1.00 43.11 C ATOM 582 C GLN A 38 7.448 58.863 63.926 1.00 45.33 C ATOM 583 O GLN A 38 8.079 59.729 63.321 1.00 74.22 O ATOM 584 CB GLN A 38 7.431 59.114 66.415 1.00 4.13 C ATOM 585 CG GLN A 38 8.676 58.256 66.257 1.00 52.14 C ATOM 586 CD GLN A 38 9.730 58.911 65.385 1.00 13.15 C ATOM 587 OE1 GLN A 38 10.156 58.346 64.377 1.00 50.42 O ATOM 588 NE2 GLN A 38 10.154 60.109 65.768 1.00 50.05 N ATOM 0 H GLN A 38 5.209 58.028 66.167 1.00 63.13 H new ATOM 0 HA GLN A 38 6.247 60.247 65.024 1.00 43.11 H new ATOM 0 HB2 GLN A 38 7.727 60.115 66.730 1.00 4.13 H new ATOM 0 HB3 GLN A 38 6.813 58.699 67.211 1.00 4.13 H new ATOM 0 HG2 GLN A 38 9.099 58.052 67.241 1.00 52.14 H new ATOM 0 HG3 GLN A 38 8.398 57.295 65.824 1.00 52.14 H new ATOM 0 HE21 GLN A 38 9.773 60.540 66.611 1.00 50.05 H new ATOM 0 HE22 GLN A 38 10.861 60.599 65.220 1.00 50.05 H new ATOM 597 N ASN A 39 7.465 57.581 63.577 1.00 2.55 N ATOM 598 CA ASN A 39 8.242 57.108 62.438 1.00 44.22 C ATOM 599 C ASN A 39 7.591 57.528 61.123 1.00 14.15 C ATOM 600 O ASN A 39 8.249 58.077 60.239 1.00 4.24 O ATOM 601 CB ASN A 39 8.384 55.585 62.486 1.00 20.13 C ATOM 602 CG ASN A 39 9.819 55.132 62.303 1.00 72.02 C ATOM 603 OD1 ASN A 39 10.421 55.348 61.251 1.00 13.11 O ATOM 604 ND2 ASN A 39 10.374 54.498 63.330 1.00 64.05 N ATOM 0 H ASN A 39 6.949 56.851 64.067 1.00 2.55 H new ATOM 0 HA ASN A 39 9.232 57.560 62.494 1.00 44.22 H new ATOM 0 HB2 ASN A 39 8.009 55.218 63.441 1.00 20.13 H new ATOM 0 HB3 ASN A 39 7.764 55.140 61.708 1.00 20.13 H new ATOM 0 HD21 ASN A 39 11.337 54.168 63.266 1.00 64.05 H new ATOM 0 HD22 ASN A 39 9.837 54.341 64.183 1.00 64.05 H new ATOM 611 N LEU A 40 6.294 57.267 61.002 1.00 41.00 N ATOM 612 CA LEU A 40 5.552 57.617 59.796 1.00 75.23 C ATOM 613 C LEU A 40 5.270 59.116 59.747 1.00 42.43 C ATOM 614 O LEU A 40 4.928 59.659 58.697 1.00 45.50 O ATOM 615 CB LEU A 40 4.237 56.838 59.737 1.00 11.50 C ATOM 616 CG LEU A 40 4.149 55.603 60.634 1.00 2.23 C ATOM 617 CD1 LEU A 40 2.926 54.772 60.279 1.00 24.15 C ATOM 618 CD2 LEU A 40 5.416 54.768 60.517 1.00 25.24 C ATOM 0 H LEU A 40 5.734 56.814 61.725 1.00 41.00 H new ATOM 0 HA LEU A 40 6.163 57.351 58.933 1.00 75.23 H new ATOM 0 HB2 LEU A 40 3.425 57.514 60.003 1.00 11.50 H new ATOM 0 HB3 LEU A 40 4.068 56.527 58.706 1.00 11.50 H new ATOM 0 HG LEU A 40 4.050 55.934 61.668 1.00 2.23 H new ATOM 0 HD11 LEU A 40 2.880 53.897 60.928 1.00 24.15 H new ATOM 0 HD12 LEU A 40 2.026 55.372 60.415 1.00 24.15 H new ATOM 0 HD13 LEU A 40 2.994 54.450 59.240 1.00 24.15 H new ATOM 0 HD21 LEU A 40 5.336 53.893 61.162 1.00 25.24 H new ATOM 0 HD22 LEU A 40 5.546 54.446 59.484 1.00 25.24 H new ATOM 0 HD23 LEU A 40 6.275 55.366 60.821 1.00 25.24 H new ATOM 630 N GLU A 41 5.419 59.778 60.890 1.00 74.43 N ATOM 631 CA GLU A 41 5.182 61.216 60.976 1.00 1.23 C ATOM 632 C GLU A 41 5.963 61.961 59.897 1.00 3.15 C ATOM 633 O GLU A 41 5.462 62.914 59.300 1.00 10.41 O ATOM 634 CB GLU A 41 5.575 61.738 62.359 1.00 71.13 C ATOM 635 CG GLU A 41 4.675 62.851 62.867 1.00 51.53 C ATOM 636 CD GLU A 41 5.296 64.225 62.701 1.00 15.20 C ATOM 637 OE1 GLU A 41 5.317 64.732 61.560 1.00 52.33 O ATOM 638 OE2 GLU A 41 5.760 64.793 63.712 1.00 35.54 O ATOM 0 H GLU A 41 5.702 59.343 61.768 1.00 74.43 H new ATOM 0 HA GLU A 41 4.118 61.394 60.818 1.00 1.23 H new ATOM 0 HB2 GLU A 41 5.553 60.912 63.070 1.00 71.13 H new ATOM 0 HB3 GLU A 41 6.602 62.101 62.323 1.00 71.13 H new ATOM 0 HG2 GLU A 41 3.726 62.818 62.332 1.00 51.53 H new ATOM 0 HG3 GLU A 41 4.453 62.681 63.921 1.00 51.53 H new ATOM 645 N ASP A 42 7.192 61.520 59.654 1.00 70.52 N ATOM 646 CA ASP A 42 8.043 62.145 58.648 1.00 24.42 C ATOM 647 C ASP A 42 7.726 61.605 57.256 1.00 10.14 C ATOM 648 O ASP A 42 7.294 62.348 56.373 1.00 40.43 O ATOM 649 CB ASP A 42 9.517 61.906 58.977 1.00 64.50 C ATOM 650 CG ASP A 42 10.312 63.196 59.040 1.00 10.21 C ATOM 651 OD1 ASP A 42 9.916 64.100 59.805 1.00 61.31 O ATOM 652 OD2 ASP A 42 11.330 63.300 58.325 1.00 64.12 O ATOM 0 H ASP A 42 7.621 60.732 60.140 1.00 70.52 H new ATOM 0 HA ASP A 42 7.846 63.217 58.656 1.00 24.42 H new ATOM 0 HB2 ASP A 42 9.594 61.388 59.933 1.00 64.50 H new ATOM 0 HB3 ASP A 42 9.953 61.250 58.223 1.00 64.50 H new ATOM 657 N LEU A 43 7.941 60.308 57.068 1.00 5.23 N ATOM 658 CA LEU A 43 7.680 59.667 55.783 1.00 32.13 C ATOM 659 C LEU A 43 6.261 59.965 55.306 1.00 44.44 C ATOM 660 O LEU A 43 6.012 60.087 54.106 1.00 71.13 O ATOM 661 CB LEU A 43 7.886 58.155 55.893 1.00 60.11 C ATOM 662 CG LEU A 43 7.644 57.350 54.616 1.00 64.43 C ATOM 663 CD1 LEU A 43 6.158 57.284 54.300 1.00 4.55 C ATOM 664 CD2 LEU A 43 8.413 57.956 53.451 1.00 64.51 C ATOM 0 H LEU A 43 8.295 59.679 57.789 1.00 5.23 H new ATOM 0 HA LEU A 43 8.382 60.070 55.054 1.00 32.13 H new ATOM 0 HB2 LEU A 43 8.907 57.971 56.227 1.00 60.11 H new ATOM 0 HB3 LEU A 43 7.223 57.774 56.670 1.00 60.11 H new ATOM 0 HG LEU A 43 8.005 56.334 54.775 1.00 64.43 H new ATOM 0 HD11 LEU A 43 6.005 56.707 53.388 1.00 4.55 H new ATOM 0 HD12 LEU A 43 5.632 56.804 55.125 1.00 4.55 H new ATOM 0 HD13 LEU A 43 5.771 58.293 54.160 1.00 4.55 H new ATOM 0 HD21 LEU A 43 8.229 57.371 52.550 1.00 64.51 H new ATOM 0 HD22 LEU A 43 8.082 58.982 53.291 1.00 64.51 H new ATOM 0 HD23 LEU A 43 9.479 57.950 53.677 1.00 64.51 H new ATOM 676 N HIS A 44 5.336 60.081 56.253 1.00 44.21 N ATOM 677 CA HIS A 44 3.943 60.367 55.929 1.00 23.11 C ATOM 678 C HIS A 44 3.846 61.419 54.828 1.00 53.13 C ATOM 679 O HIS A 44 2.855 61.483 54.100 1.00 1.22 O ATOM 680 CB HIS A 44 3.196 60.845 57.175 1.00 23.43 C ATOM 681 CG HIS A 44 1.916 61.561 56.867 1.00 4.01 C ATOM 682 ND1 HIS A 44 1.739 62.912 57.080 1.00 3.33 N ATOM 683 CD2 HIS A 44 0.747 61.105 56.359 1.00 72.32 C ATOM 684 CE1 HIS A 44 0.516 63.256 56.717 1.00 44.32 C ATOM 685 NE2 HIS A 44 -0.106 62.178 56.275 1.00 51.52 N ATOM 0 H HIS A 44 5.525 59.981 57.250 1.00 44.21 H new ATOM 0 HA HIS A 44 3.483 59.447 55.569 1.00 23.11 H new ATOM 0 HB2 HIS A 44 2.979 59.986 57.810 1.00 23.43 H new ATOM 0 HB3 HIS A 44 3.846 61.508 57.746 1.00 23.43 H new ATOM 0 HD2 HIS A 44 0.526 60.087 56.073 1.00 72.32 H new ATOM 0 HE1 HIS A 44 0.096 64.250 56.772 1.00 44.32 H new ATOM 0 HE2 HIS A 44 -1.065 62.147 55.928 1.00 51.52 H new ATOM 693 N THR A 45 4.882 62.244 54.712 1.00 65.43 N ATOM 694 CA THR A 45 4.913 63.295 53.701 1.00 11.31 C ATOM 695 C THR A 45 4.388 62.786 52.364 1.00 15.10 C ATOM 696 O THR A 45 3.928 63.567 51.530 1.00 40.20 O ATOM 697 CB THR A 45 6.338 63.844 53.506 1.00 44.23 C ATOM 698 OG1 THR A 45 6.316 64.955 52.604 1.00 34.43 O ATOM 699 CG2 THR A 45 7.264 62.765 52.965 1.00 1.42 C ATOM 0 H THR A 45 5.711 62.205 55.305 1.00 65.43 H new ATOM 0 HA THR A 45 4.269 64.098 54.059 1.00 11.31 H new ATOM 0 HB THR A 45 6.713 64.171 54.476 1.00 44.23 H new ATOM 0 HG1 THR A 45 7.226 65.299 52.487 1.00 34.43 H new ATOM 0 HG21 THR A 45 8.265 63.176 52.835 1.00 1.42 H new ATOM 0 HG22 THR A 45 7.302 61.932 53.667 1.00 1.42 H new ATOM 0 HG23 THR A 45 6.889 62.412 52.004 1.00 1.42 H new ATOM 707 N ARG A 46 4.459 61.474 52.166 1.00 35.11 N ATOM 708 CA ARG A 46 3.991 60.862 50.928 1.00 33.23 C ATOM 709 C ARG A 46 2.861 59.873 51.204 1.00 63.12 C ATOM 710 O ARG A 46 1.711 60.112 50.838 1.00 14.45 O ATOM 711 CB ARG A 46 5.143 60.151 50.218 1.00 60.54 C ATOM 712 CG ARG A 46 4.881 59.887 48.744 1.00 33.42 C ATOM 713 CD ARG A 46 6.118 60.152 47.901 1.00 55.13 C ATOM 714 NE ARG A 46 6.933 58.953 47.732 1.00 1.13 N ATOM 715 CZ ARG A 46 8.194 58.972 47.317 1.00 62.34 C ATOM 716 NH1 ARG A 46 8.784 60.126 47.032 1.00 21.41 N ATOM 717 NH2 ARG A 46 8.870 57.838 47.188 1.00 70.52 N ATOM 0 H ARG A 46 4.836 60.814 52.847 1.00 35.11 H new ATOM 0 HA ARG A 46 3.609 61.653 50.283 1.00 33.23 H new ATOM 0 HB2 ARG A 46 6.046 60.754 50.315 1.00 60.54 H new ATOM 0 HB3 ARG A 46 5.337 59.203 50.719 1.00 60.54 H new ATOM 0 HG2 ARG A 46 4.563 58.853 48.610 1.00 33.42 H new ATOM 0 HG3 ARG A 46 4.063 60.520 48.400 1.00 33.42 H new ATOM 0 HD2 ARG A 46 5.816 60.526 46.923 1.00 55.13 H new ATOM 0 HD3 ARG A 46 6.716 60.933 48.370 1.00 55.13 H new ATOM 0 HE ARG A 46 6.510 58.050 47.945 1.00 1.13 H new ATOM 0 HH11 ARG A 46 8.269 61.001 47.132 1.00 21.41 H new ATOM 0 HH12 ARG A 46 9.753 60.138 46.713 1.00 21.41 H new ATOM 0 HH21 ARG A 46 8.421 56.949 47.408 1.00 70.52 H new ATOM 0 HH22 ARG A 46 9.839 57.855 46.869 1.00 70.52 H new ATOM 731 N ARG A 47 3.200 58.762 51.850 1.00 60.21 N ATOM 732 CA ARG A 47 2.217 57.735 52.173 1.00 72.11 C ATOM 733 C ARG A 47 2.678 56.894 53.359 1.00 5.32 C ATOM 734 O ARG A 47 3.834 56.477 53.444 1.00 11.02 O ATOM 735 CB ARG A 47 1.970 56.836 50.961 1.00 23.22 C ATOM 736 CG ARG A 47 3.204 56.073 50.507 1.00 50.12 C ATOM 737 CD ARG A 47 2.831 54.839 49.700 1.00 50.14 C ATOM 738 NE ARG A 47 3.301 54.926 48.320 1.00 2.12 N ATOM 739 CZ ARG A 47 2.791 54.209 47.324 1.00 42.34 C ATOM 740 NH1 ARG A 47 1.801 53.358 47.554 1.00 41.01 N ATOM 741 NH2 ARG A 47 3.272 54.344 46.094 1.00 14.44 N ATOM 0 H ARG A 47 4.148 58.550 52.160 1.00 60.21 H new ATOM 0 HA ARG A 47 1.285 58.232 52.443 1.00 72.11 H new ATOM 0 HB2 ARG A 47 1.181 56.124 51.202 1.00 23.22 H new ATOM 0 HB3 ARG A 47 1.606 57.446 50.135 1.00 23.22 H new ATOM 0 HG2 ARG A 47 3.835 56.726 49.904 1.00 50.12 H new ATOM 0 HG3 ARG A 47 3.790 55.777 51.377 1.00 50.12 H new ATOM 0 HD2 ARG A 47 3.257 53.954 50.173 1.00 50.14 H new ATOM 0 HD3 ARG A 47 1.748 54.715 49.707 1.00 50.14 H new ATOM 0 HE ARG A 47 4.062 55.572 48.109 1.00 2.12 H new ATOM 0 HH11 ARG A 47 1.428 53.252 48.498 1.00 41.01 H new ATOM 0 HH12 ARG A 47 1.412 52.809 46.787 1.00 41.01 H new ATOM 0 HH21 ARG A 47 4.033 54.998 45.913 1.00 14.44 H new ATOM 0 HH22 ARG A 47 2.880 53.793 45.330 1.00 14.44 H new ATOM 755 N PRO A 48 1.755 56.638 54.298 1.00 11.32 N ATOM 756 CA PRO A 48 2.044 55.844 55.496 1.00 40.53 C ATOM 757 C PRO A 48 2.268 54.371 55.175 1.00 2.12 C ATOM 758 O PRO A 48 3.083 53.703 55.813 1.00 12.12 O ATOM 759 CB PRO A 48 0.786 56.020 56.350 1.00 71.22 C ATOM 760 CG PRO A 48 -0.296 56.328 55.372 1.00 40.00 C ATOM 761 CD PRO A 48 0.358 57.103 54.262 1.00 63.13 C ATOM 0 HA PRO A 48 2.960 56.169 55.989 1.00 40.53 H new ATOM 0 HB2 PRO A 48 0.562 55.116 56.916 1.00 71.22 H new ATOM 0 HB3 PRO A 48 0.908 56.827 57.073 1.00 71.22 H new ATOM 0 HG2 PRO A 48 -0.752 55.413 54.993 1.00 40.00 H new ATOM 0 HG3 PRO A 48 -1.090 56.910 55.839 1.00 40.00 H new ATOM 0 HD2 PRO A 48 -0.109 56.897 53.299 1.00 63.13 H new ATOM 0 HD3 PRO A 48 0.288 58.178 54.427 1.00 63.13 H new ATOM 769 N ASP A 49 1.541 53.868 54.183 1.00 63.24 N ATOM 770 CA ASP A 49 1.662 52.473 53.776 1.00 72.11 C ATOM 771 C ASP A 49 3.105 52.135 53.418 1.00 42.23 C ATOM 772 O ASP A 49 3.485 50.965 53.370 1.00 64.23 O ATOM 773 CB ASP A 49 0.747 52.186 52.585 1.00 13.02 C ATOM 774 CG ASP A 49 1.100 50.889 51.883 1.00 54.32 C ATOM 775 OD1 ASP A 49 2.131 50.857 51.180 1.00 63.42 O ATOM 776 OD2 ASP A 49 0.346 49.907 52.039 1.00 0.15 O ATOM 0 H ASP A 49 0.861 54.406 53.646 1.00 63.24 H new ATOM 0 HA ASP A 49 1.359 51.847 54.616 1.00 72.11 H new ATOM 0 HB2 ASP A 49 -0.287 52.141 52.927 1.00 13.02 H new ATOM 0 HB3 ASP A 49 0.812 53.010 51.874 1.00 13.02 H new ATOM 781 N GLU A 50 3.905 53.167 53.167 1.00 65.54 N ATOM 782 CA GLU A 50 5.307 52.978 52.810 1.00 31.14 C ATOM 783 C GLU A 50 6.166 52.801 54.059 1.00 20.20 C ATOM 784 O GLU A 50 6.897 51.819 54.189 1.00 75.01 O ATOM 785 CB GLU A 50 5.813 54.168 51.993 1.00 10.40 C ATOM 786 CG GLU A 50 7.265 54.038 51.565 1.00 63.33 C ATOM 787 CD GLU A 50 7.627 54.983 50.436 1.00 63.55 C ATOM 788 OE1 GLU A 50 7.544 56.212 50.640 1.00 22.41 O ATOM 789 OE2 GLU A 50 7.992 54.493 49.347 1.00 64.24 O ATOM 0 H GLU A 50 3.607 54.142 53.204 1.00 65.54 H new ATOM 0 HA GLU A 50 5.384 52.074 52.206 1.00 31.14 H new ATOM 0 HB2 GLU A 50 5.190 54.280 51.106 1.00 10.40 H new ATOM 0 HB3 GLU A 50 5.696 55.078 52.581 1.00 10.40 H new ATOM 0 HG2 GLU A 50 7.911 54.235 52.420 1.00 63.33 H new ATOM 0 HG3 GLU A 50 7.457 53.012 51.251 1.00 63.33 H new ATOM 796 N PHE A 51 6.073 53.760 54.975 1.00 23.22 N ATOM 797 CA PHE A 51 6.843 53.712 56.212 1.00 10.11 C ATOM 798 C PHE A 51 6.222 52.731 57.201 1.00 13.35 C ATOM 799 O PHE A 51 6.863 52.314 58.167 1.00 34.23 O ATOM 800 CB PHE A 51 6.925 55.105 56.842 1.00 24.44 C ATOM 801 CG PHE A 51 8.320 55.511 57.217 1.00 71.44 C ATOM 802 CD1 PHE A 51 9.374 55.316 56.338 1.00 12.14 C ATOM 803 CD2 PHE A 51 8.579 56.090 58.449 1.00 3.54 C ATOM 804 CE1 PHE A 51 10.660 55.690 56.681 1.00 51.12 C ATOM 805 CE2 PHE A 51 9.863 56.466 58.798 1.00 65.00 C ATOM 806 CZ PHE A 51 10.904 56.265 57.913 1.00 1.21 C ATOM 0 H PHE A 51 5.472 54.579 54.884 1.00 23.22 H new ATOM 0 HA PHE A 51 7.849 53.370 55.971 1.00 10.11 H new ATOM 0 HB2 PHE A 51 6.518 55.836 56.143 1.00 24.44 H new ATOM 0 HB3 PHE A 51 6.296 55.130 57.732 1.00 24.44 H new ATOM 0 HD1 PHE A 51 9.188 54.867 55.374 1.00 12.14 H new ATOM 0 HD2 PHE A 51 7.768 56.249 59.145 1.00 3.54 H new ATOM 0 HE1 PHE A 51 11.472 55.533 55.987 1.00 51.12 H new ATOM 0 HE2 PHE A 51 10.052 56.916 59.761 1.00 65.00 H new ATOM 0 HZ PHE A 51 11.908 56.557 58.184 1.00 1.21 H new ATOM 816 N THR A 52 4.967 52.365 56.954 1.00 43.23 N ATOM 817 CA THR A 52 4.258 51.435 57.823 1.00 3.34 C ATOM 818 C THR A 52 5.079 50.173 58.065 1.00 33.05 C ATOM 819 O THR A 52 4.836 49.437 59.021 1.00 73.31 O ATOM 820 CB THR A 52 2.893 51.038 57.227 1.00 63.35 C ATOM 821 OG1 THR A 52 3.025 50.793 55.823 1.00 61.41 O ATOM 822 CG2 THR A 52 1.863 52.133 57.462 1.00 22.41 C ATOM 0 H THR A 52 4.422 52.699 56.159 1.00 43.23 H new ATOM 0 HA THR A 52 4.098 51.949 58.771 1.00 3.34 H new ATOM 0 HB THR A 52 2.554 50.129 57.723 1.00 63.35 H new ATOM 0 HG1 THR A 52 2.316 50.183 55.529 1.00 61.41 H new ATOM 0 HG21 THR A 52 0.907 51.832 57.033 1.00 22.41 H new ATOM 0 HG22 THR A 52 1.745 52.297 58.533 1.00 22.41 H new ATOM 0 HG23 THR A 52 2.198 53.056 56.988 1.00 22.41 H new ATOM 830 N ALA A 53 6.051 49.929 57.192 1.00 55.31 N ATOM 831 CA ALA A 53 6.909 48.757 57.313 1.00 54.44 C ATOM 832 C ALA A 53 7.862 48.894 58.497 1.00 15.15 C ATOM 833 O ALA A 53 8.354 47.898 59.028 1.00 54.41 O ATOM 834 CB ALA A 53 7.692 48.541 56.027 1.00 4.20 C ATOM 0 H ALA A 53 6.264 50.527 56.394 1.00 55.31 H new ATOM 0 HA ALA A 53 6.273 47.889 57.489 1.00 54.44 H new ATOM 0 HB1 ALA A 53 8.329 47.662 56.132 1.00 4.20 H new ATOM 0 HB2 ALA A 53 6.998 48.390 55.200 1.00 4.20 H new ATOM 0 HB3 ALA A 53 8.311 49.416 55.827 1.00 4.20 H new ATOM 840 N ARG A 54 8.117 50.132 58.905 1.00 31.40 N ATOM 841 CA ARG A 54 9.012 50.399 60.025 1.00 33.02 C ATOM 842 C ARG A 54 8.450 49.818 61.319 1.00 43.22 C ATOM 843 O ARG A 54 9.007 48.873 61.882 1.00 63.43 O ATOM 844 CB ARG A 54 9.231 51.905 60.182 1.00 52.33 C ATOM 845 CG ARG A 54 10.677 52.283 60.465 1.00 33.21 C ATOM 846 CD ARG A 54 11.427 52.610 59.184 1.00 44.44 C ATOM 847 NE ARG A 54 12.874 52.636 59.389 1.00 31.53 N ATOM 848 CZ ARG A 54 13.750 52.832 58.411 1.00 24.00 C ATOM 849 NH1 ARG A 54 13.331 53.017 57.166 1.00 3.42 N ATOM 850 NH2 ARG A 54 15.050 52.842 58.676 1.00 73.54 N ATOM 0 H ARG A 54 7.717 50.967 58.477 1.00 31.40 H new ATOM 0 HA ARG A 54 9.968 49.920 59.817 1.00 33.02 H new ATOM 0 HB2 ARG A 54 8.904 52.408 59.272 1.00 52.33 H new ATOM 0 HB3 ARG A 54 8.603 52.273 60.993 1.00 52.33 H new ATOM 0 HG2 ARG A 54 10.705 53.143 61.134 1.00 33.21 H new ATOM 0 HG3 ARG A 54 11.175 51.462 60.980 1.00 33.21 H new ATOM 0 HD2 ARG A 54 11.182 51.871 58.421 1.00 44.44 H new ATOM 0 HD3 ARG A 54 11.097 53.578 58.807 1.00 44.44 H new ATOM 0 HE ARG A 54 13.230 52.496 60.335 1.00 31.53 H new ATOM 0 HH11 ARG A 54 12.333 53.009 56.957 1.00 3.42 H new ATOM 0 HH12 ARG A 54 14.007 53.167 56.417 1.00 3.42 H new ATOM 0 HH21 ARG A 54 15.377 52.699 59.632 1.00 73.54 H new ATOM 0 HH22 ARG A 54 15.723 52.993 57.924 1.00 73.54 H new ATOM 864 N LEU A 55 7.346 50.388 61.788 1.00 73.30 N ATOM 865 CA LEU A 55 6.709 49.927 63.016 1.00 72.10 C ATOM 866 C LEU A 55 6.125 48.530 62.836 1.00 10.11 C ATOM 867 O LEU A 55 5.868 47.824 63.811 1.00 52.01 O ATOM 868 CB LEU A 55 5.607 50.901 63.439 1.00 73.02 C ATOM 869 CG LEU A 55 4.339 50.894 62.585 1.00 50.42 C ATOM 870 CD1 LEU A 55 4.673 51.192 61.132 1.00 64.24 C ATOM 871 CD2 LEU A 55 3.624 49.556 62.705 1.00 1.21 C ATOM 0 H LEU A 55 6.873 51.171 61.336 1.00 73.30 H new ATOM 0 HA LEU A 55 7.469 49.885 63.796 1.00 72.10 H new ATOM 0 HB2 LEU A 55 5.328 50.677 64.469 1.00 73.02 H new ATOM 0 HB3 LEU A 55 6.020 51.910 63.432 1.00 73.02 H new ATOM 0 HG LEU A 55 3.672 51.675 62.951 1.00 50.42 H new ATOM 0 HD11 LEU A 55 3.758 51.183 60.539 1.00 64.24 H new ATOM 0 HD12 LEU A 55 5.142 52.173 61.060 1.00 64.24 H new ATOM 0 HD13 LEU A 55 5.358 50.434 60.753 1.00 64.24 H new ATOM 0 HD21 LEU A 55 2.724 49.568 62.091 1.00 1.21 H new ATOM 0 HD22 LEU A 55 4.285 48.759 62.365 1.00 1.21 H new ATOM 0 HD23 LEU A 55 3.351 49.381 63.746 1.00 1.21 H new ATOM 883 N GLN A 56 5.921 48.136 61.584 1.00 25.12 N ATOM 884 CA GLN A 56 5.369 46.821 61.276 1.00 61.25 C ATOM 885 C GLN A 56 6.311 45.715 61.738 1.00 14.21 C ATOM 886 O GLN A 56 5.870 44.631 62.120 1.00 12.23 O ATOM 887 CB GLN A 56 5.110 46.692 59.774 1.00 74.32 C ATOM 888 CG GLN A 56 4.769 45.278 59.336 1.00 4.55 C ATOM 889 CD GLN A 56 3.397 45.178 58.700 1.00 30.41 C ATOM 890 OE1 GLN A 56 2.376 45.279 59.381 1.00 22.44 O ATOM 891 NE2 GLN A 56 3.365 44.980 57.387 1.00 12.34 N ATOM 0 H GLN A 56 6.129 48.708 60.766 1.00 25.12 H new ATOM 0 HA GLN A 56 4.425 46.717 61.810 1.00 61.25 H new ATOM 0 HB2 GLN A 56 4.292 47.357 59.496 1.00 74.32 H new ATOM 0 HB3 GLN A 56 5.993 47.029 59.231 1.00 74.32 H new ATOM 0 HG2 GLN A 56 5.520 44.931 58.627 1.00 4.55 H new ATOM 0 HG3 GLN A 56 4.814 44.614 60.199 1.00 4.55 H new ATOM 0 HE21 GLN A 56 4.236 44.902 56.862 1.00 12.34 H new ATOM 0 HE22 GLN A 56 2.470 44.906 56.904 1.00 12.34 H new ATOM 900 N GLN A 57 7.610 45.996 61.701 1.00 1.55 N ATOM 901 CA GLN A 57 8.613 45.023 62.116 1.00 1.52 C ATOM 902 C GLN A 57 8.576 44.811 63.626 1.00 62.33 C ATOM 903 O GLN A 57 8.824 43.709 64.116 1.00 24.43 O ATOM 904 CB GLN A 57 10.008 45.482 61.688 1.00 64.42 C ATOM 905 CG GLN A 57 10.665 46.433 62.675 1.00 31.24 C ATOM 906 CD GLN A 57 11.872 47.139 62.090 1.00 51.32 C ATOM 907 OE1 GLN A 57 11.737 48.038 61.259 1.00 62.12 O ATOM 908 NE2 GLN A 57 13.061 46.736 62.521 1.00 64.13 N ATOM 0 H GLN A 57 7.992 46.889 61.388 1.00 1.55 H new ATOM 0 HA GLN A 57 8.385 44.075 61.629 1.00 1.52 H new ATOM 0 HB2 GLN A 57 10.646 44.607 61.560 1.00 64.42 H new ATOM 0 HB3 GLN A 57 9.938 45.971 60.716 1.00 64.42 H new ATOM 0 HG2 GLN A 57 9.936 47.176 62.998 1.00 31.24 H new ATOM 0 HG3 GLN A 57 10.969 45.877 63.562 1.00 31.24 H new ATOM 0 HE21 GLN A 57 13.127 45.987 63.211 1.00 64.13 H new ATOM 0 HE22 GLN A 57 13.909 47.175 62.163 1.00 64.13 H new ATOM 917 N SER A 58 8.265 45.874 64.360 1.00 75.35 N ATOM 918 CA SER A 58 8.199 45.808 65.815 1.00 41.42 C ATOM 919 C SER A 58 7.060 44.899 66.266 1.00 71.02 C ATOM 920 O SER A 58 7.276 43.911 66.967 1.00 44.54 O ATOM 921 CB SER A 58 8.015 47.207 66.404 1.00 23.42 C ATOM 922 OG SER A 58 9.034 47.503 67.344 1.00 61.54 O ATOM 0 H SER A 58 8.054 46.793 63.970 1.00 75.35 H new ATOM 0 HA SER A 58 9.139 45.391 66.178 1.00 41.42 H new ATOM 0 HB2 SER A 58 8.028 47.947 65.603 1.00 23.42 H new ATOM 0 HB3 SER A 58 7.040 47.277 66.886 1.00 23.42 H new ATOM 0 HG SER A 58 8.628 47.730 68.206 1.00 61.54 H new ATOM 928 N THR A 59 5.842 45.242 65.858 1.00 22.20 N ATOM 929 CA THR A 59 4.666 44.460 66.220 1.00 21.33 C ATOM 930 C THR A 59 4.786 43.025 65.722 1.00 11.22 C ATOM 931 O THR A 59 4.164 42.114 66.269 1.00 25.22 O ATOM 932 CB THR A 59 3.379 45.084 65.647 1.00 52.33 C ATOM 933 OG1 THR A 59 2.230 44.456 66.228 1.00 5.20 O ATOM 934 CG2 THR A 59 3.333 44.938 64.134 1.00 1.12 C ATOM 0 H THR A 59 5.644 46.056 65.277 1.00 22.20 H new ATOM 0 HA THR A 59 4.608 44.460 67.308 1.00 21.33 H new ATOM 0 HB THR A 59 3.376 46.146 65.893 1.00 52.33 H new ATOM 0 HG1 THR A 59 1.416 44.859 65.860 1.00 5.20 H new ATOM 0 HG21 THR A 59 2.415 45.386 63.753 1.00 1.12 H new ATOM 0 HG22 THR A 59 4.193 45.442 63.693 1.00 1.12 H new ATOM 0 HG23 THR A 59 3.358 43.881 63.870 1.00 1.12 H new ATOM 942 N ASP A 60 5.591 42.829 64.682 1.00 35.24 N ATOM 943 CA ASP A 60 5.794 41.503 64.112 1.00 2.15 C ATOM 944 C ASP A 60 6.049 40.473 65.208 1.00 63.22 C ATOM 945 O ASP A 60 5.349 39.466 65.303 1.00 4.13 O ATOM 946 CB ASP A 60 6.964 41.520 63.129 1.00 64.15 C ATOM 947 CG ASP A 60 6.575 41.012 61.755 1.00 44.33 C ATOM 948 OD1 ASP A 60 5.837 40.007 61.681 1.00 2.41 O ATOM 949 OD2 ASP A 60 7.008 41.618 60.753 1.00 51.12 O ATOM 0 H ASP A 60 6.113 43.572 64.217 1.00 35.24 H new ATOM 0 HA ASP A 60 4.886 41.222 63.578 1.00 2.15 H new ATOM 0 HB2 ASP A 60 7.346 42.537 63.042 1.00 64.15 H new ATOM 0 HB3 ASP A 60 7.775 40.907 63.523 1.00 64.15 H new ATOM 954 N ALA A 61 7.059 40.733 66.033 1.00 1.14 N ATOM 955 CA ALA A 61 7.407 39.830 67.123 1.00 32.45 C ATOM 956 C ALA A 61 6.182 39.491 67.968 1.00 64.43 C ATOM 957 O ALA A 61 5.932 38.326 68.276 1.00 32.02 O ATOM 958 CB ALA A 61 8.495 40.444 67.990 1.00 0.22 C ATOM 0 H ALA A 61 7.650 41.562 65.967 1.00 1.14 H new ATOM 0 HA ALA A 61 7.784 38.904 66.688 1.00 32.45 H new ATOM 0 HB1 ALA A 61 8.745 39.759 68.800 1.00 0.22 H new ATOM 0 HB2 ALA A 61 9.382 40.629 67.384 1.00 0.22 H new ATOM 0 HB3 ALA A 61 8.139 41.386 68.408 1.00 0.22 H new ATOM 964 N LEU A 62 5.425 40.518 68.340 1.00 3.24 N ATOM 965 CA LEU A 62 4.227 40.329 69.150 1.00 32.03 C ATOM 966 C LEU A 62 3.209 39.455 68.423 1.00 74.43 C ATOM 967 O LEU A 62 2.551 38.612 69.033 1.00 22.30 O ATOM 968 CB LEU A 62 3.601 41.682 69.493 1.00 60.11 C ATOM 969 CG LEU A 62 2.228 41.636 70.164 1.00 53.32 C ATOM 970 CD1 LEU A 62 2.072 42.791 71.141 1.00 40.31 C ATOM 971 CD2 LEU A 62 1.122 41.666 69.120 1.00 22.25 C ATOM 0 H LEU A 62 5.620 41.489 68.094 1.00 3.24 H new ATOM 0 HA LEU A 62 4.518 39.825 70.072 1.00 32.03 H new ATOM 0 HB2 LEU A 62 4.285 42.221 70.148 1.00 60.11 H new ATOM 0 HB3 LEU A 62 3.515 42.263 68.575 1.00 60.11 H new ATOM 0 HG LEU A 62 2.149 40.702 70.721 1.00 53.32 H new ATOM 0 HD11 LEU A 62 1.089 42.742 71.609 1.00 40.31 H new ATOM 0 HD12 LEU A 62 2.843 42.725 71.909 1.00 40.31 H new ATOM 0 HD13 LEU A 62 2.173 43.736 70.607 1.00 40.31 H new ATOM 0 HD21 LEU A 62 0.152 41.633 69.616 1.00 22.25 H new ATOM 0 HD22 LEU A 62 1.199 42.582 68.535 1.00 22.25 H new ATOM 0 HD23 LEU A 62 1.222 40.805 68.460 1.00 22.25 H new ATOM 983 N TYR A 63 3.087 39.662 67.117 1.00 22.23 N ATOM 984 CA TYR A 63 2.149 38.893 66.306 1.00 42.13 C ATOM 985 C TYR A 63 2.428 37.398 66.420 1.00 15.21 C ATOM 986 O TYR A 63 1.579 36.629 66.872 1.00 71.43 O ATOM 987 CB TYR A 63 2.234 39.328 64.841 1.00 54.11 C ATOM 988 CG TYR A 63 2.306 38.172 63.870 1.00 61.40 C ATOM 989 CD1 TYR A 63 1.151 37.584 63.371 1.00 33.02 C ATOM 990 CD2 TYR A 63 3.531 37.669 63.449 1.00 10.13 C ATOM 991 CE1 TYR A 63 1.213 36.527 62.484 1.00 13.45 C ATOM 992 CE2 TYR A 63 3.603 36.612 62.561 1.00 34.40 C ATOM 993 CZ TYR A 63 2.440 36.045 62.082 1.00 42.41 C ATOM 994 OH TYR A 63 2.507 34.993 61.197 1.00 34.15 O ATOM 0 H TYR A 63 3.625 40.355 66.597 1.00 22.23 H new ATOM 0 HA TYR A 63 1.143 39.086 66.679 1.00 42.13 H new ATOM 0 HB2 TYR A 63 1.364 39.939 64.601 1.00 54.11 H new ATOM 0 HB3 TYR A 63 3.113 39.958 64.708 1.00 54.11 H new ATOM 0 HD1 TYR A 63 0.187 37.960 63.682 1.00 33.02 H new ATOM 0 HD2 TYR A 63 4.443 38.112 63.822 1.00 10.13 H new ATOM 0 HE1 TYR A 63 0.305 36.081 62.107 1.00 13.45 H new ATOM 0 HE2 TYR A 63 4.563 36.233 62.244 1.00 34.40 H new ATOM 0 HH TYR A 63 3.446 34.777 61.016 1.00 34.15 H new ATOM 1004 N SER A 64 3.626 36.993 66.009 1.00 11.33 N ATOM 1005 CA SER A 64 4.017 35.589 66.062 1.00 50.23 C ATOM 1006 C SER A 64 4.048 35.088 67.503 1.00 52.33 C ATOM 1007 O SER A 64 3.624 33.968 67.792 1.00 42.44 O ATOM 1008 CB SER A 64 5.389 35.395 65.414 1.00 73.12 C ATOM 1009 OG SER A 64 5.354 34.362 64.445 1.00 2.10 O ATOM 0 H SER A 64 4.342 37.617 65.636 1.00 11.33 H new ATOM 0 HA SER A 64 3.277 35.010 65.510 1.00 50.23 H new ATOM 0 HB2 SER A 64 5.709 36.326 64.946 1.00 73.12 H new ATOM 0 HB3 SER A 64 6.126 35.154 66.180 1.00 73.12 H new ATOM 0 HG SER A 64 4.881 34.678 63.647 1.00 2.10 H new ATOM 1015 N HIS A 65 4.552 35.926 68.404 1.00 11.11 N ATOM 1016 CA HIS A 65 4.639 35.569 69.816 1.00 32.33 C ATOM 1017 C HIS A 65 3.265 35.197 70.366 1.00 54.43 C ATOM 1018 O HIS A 65 3.112 34.181 71.044 1.00 14.25 O ATOM 1019 CB HIS A 65 5.228 36.727 70.620 1.00 52.55 C ATOM 1020 CG HIS A 65 5.408 36.416 72.074 1.00 13.35 C ATOM 1021 ND1 HIS A 65 5.410 37.384 73.057 1.00 3.24 N ATOM 1022 CD2 HIS A 65 5.590 35.236 72.711 1.00 13.23 C ATOM 1023 CE1 HIS A 65 5.587 36.812 74.235 1.00 62.22 C ATOM 1024 NE2 HIS A 65 5.699 35.509 74.053 1.00 22.12 N ATOM 0 H HIS A 65 4.906 36.856 68.182 1.00 11.11 H new ATOM 0 HA HIS A 65 5.295 34.703 69.909 1.00 32.33 H new ATOM 0 HB2 HIS A 65 6.193 37.001 70.193 1.00 52.55 H new ATOM 0 HB3 HIS A 65 4.577 37.596 70.521 1.00 52.55 H new ATOM 0 HD2 HIS A 65 5.640 34.261 72.250 1.00 13.23 H new ATOM 0 HE1 HIS A 65 5.632 37.323 75.185 1.00 62.22 H new ATOM 0 HE2 HIS A 65 5.843 34.818 74.789 1.00 22.12 H new ATOM 1032 N LEU A 66 2.271 36.028 70.073 1.00 15.43 N ATOM 1033 CA LEU A 66 0.910 35.788 70.540 1.00 10.24 C ATOM 1034 C LEU A 66 0.260 34.650 69.760 1.00 25.04 C ATOM 1035 O LEU A 66 -0.170 33.653 70.340 1.00 72.40 O ATOM 1036 CB LEU A 66 0.071 37.059 70.404 1.00 0.20 C ATOM 1037 CG LEU A 66 -1.161 37.149 71.306 1.00 33.52 C ATOM 1038 CD1 LEU A 66 -0.835 37.909 72.582 1.00 62.23 C ATOM 1039 CD2 LEU A 66 -2.314 37.814 70.568 1.00 62.50 C ATOM 0 H LEU A 66 2.382 36.874 69.514 1.00 15.43 H new ATOM 0 HA LEU A 66 0.958 35.503 71.591 1.00 10.24 H new ATOM 0 HB2 LEU A 66 0.711 37.917 70.610 1.00 0.20 H new ATOM 0 HB3 LEU A 66 -0.255 37.146 69.368 1.00 0.20 H new ATOM 0 HG LEU A 66 -1.463 36.137 71.577 1.00 33.52 H new ATOM 0 HD11 LEU A 66 -1.724 37.963 73.211 1.00 62.23 H new ATOM 0 HD12 LEU A 66 -0.040 37.392 73.120 1.00 62.23 H new ATOM 0 HD13 LEU A 66 -0.507 38.918 72.331 1.00 62.23 H new ATOM 0 HD21 LEU A 66 -3.182 37.870 71.225 1.00 62.50 H new ATOM 0 HD22 LEU A 66 -2.021 38.820 70.267 1.00 62.50 H new ATOM 0 HD23 LEU A 66 -2.565 37.229 69.683 1.00 62.50 H new ATOM 1051 N GLU A 67 0.193 34.805 68.442 1.00 65.04 N ATOM 1052 CA GLU A 67 -0.403 33.789 67.582 1.00 60.01 C ATOM 1053 C GLU A 67 0.239 32.427 67.824 1.00 4.12 C ATOM 1054 O GLU A 67 -0.411 31.390 67.691 1.00 61.03 O ATOM 1055 CB GLU A 67 -0.253 34.182 66.110 1.00 14.51 C ATOM 1056 CG GLU A 67 -1.285 33.537 65.200 1.00 42.04 C ATOM 1057 CD GLU A 67 -0.757 32.295 64.510 1.00 64.00 C ATOM 1058 OE1 GLU A 67 -0.592 31.261 65.190 1.00 32.03 O ATOM 1059 OE2 GLU A 67 -0.508 32.357 63.287 1.00 14.33 O ATOM 0 H GLU A 67 0.544 35.624 67.946 1.00 65.04 H new ATOM 0 HA GLU A 67 -1.463 33.720 67.826 1.00 60.01 H new ATOM 0 HB2 GLU A 67 -0.330 35.266 66.022 1.00 14.51 H new ATOM 0 HB3 GLU A 67 0.744 33.905 65.768 1.00 14.51 H new ATOM 0 HG2 GLU A 67 -2.167 33.276 65.784 1.00 42.04 H new ATOM 0 HG3 GLU A 67 -1.603 34.259 64.448 1.00 42.04 H new ATOM 1066 N ALA A 68 1.520 32.437 68.180 1.00 22.53 N ATOM 1067 CA ALA A 68 2.250 31.203 68.441 1.00 51.54 C ATOM 1068 C ALA A 68 2.022 30.723 69.870 1.00 2.12 C ATOM 1069 O ALA A 68 1.513 29.624 70.091 1.00 33.43 O ATOM 1070 CB ALA A 68 3.736 31.404 68.181 1.00 5.31 C ATOM 0 H ALA A 68 2.073 33.286 68.294 1.00 22.53 H new ATOM 0 HA ALA A 68 1.874 30.437 67.763 1.00 51.54 H new ATOM 0 HB1 ALA A 68 4.269 30.474 68.380 1.00 5.31 H new ATOM 0 HB2 ALA A 68 3.888 31.694 67.141 1.00 5.31 H new ATOM 0 HB3 ALA A 68 4.117 32.188 68.835 1.00 5.31 H new ATOM 1076 N GLN A 69 2.403 31.552 70.837 1.00 23.44 N ATOM 1077 CA GLN A 69 2.239 31.209 72.245 1.00 65.04 C ATOM 1078 C GLN A 69 0.763 31.118 72.615 1.00 52.43 C ATOM 1079 O GLN A 69 0.304 30.096 73.125 1.00 53.42 O ATOM 1080 CB GLN A 69 2.936 32.247 73.127 1.00 22.13 C ATOM 1081 CG GLN A 69 3.222 31.753 74.536 1.00 42.00 C ATOM 1082 CD GLN A 69 4.393 30.792 74.591 1.00 63.31 C ATOM 1083 OE1 GLN A 69 5.509 31.132 74.201 1.00 62.25 O ATOM 1084 NE2 GLN A 69 4.143 29.581 75.077 1.00 21.43 N ATOM 0 H GLN A 69 2.827 32.465 70.671 1.00 23.44 H new ATOM 0 HA GLN A 69 2.696 30.234 72.412 1.00 65.04 H new ATOM 0 HB2 GLN A 69 3.874 32.541 72.656 1.00 22.13 H new ATOM 0 HB3 GLN A 69 2.314 33.140 73.183 1.00 22.13 H new ATOM 0 HG2 GLN A 69 3.427 32.607 75.182 1.00 42.00 H new ATOM 0 HG3 GLN A 69 2.334 31.260 74.932 1.00 42.00 H new ATOM 0 HE21 GLN A 69 3.202 29.341 75.389 1.00 21.43 H new ATOM 0 HE22 GLN A 69 4.892 28.891 75.138 1.00 21.43 H new ATOM 1093 N TRP A 70 0.026 32.191 72.356 1.00 22.32 N ATOM 1094 CA TRP A 70 -1.400 32.231 72.663 1.00 22.41 C ATOM 1095 C TRP A 70 -2.137 31.088 71.974 1.00 74.42 C ATOM 1096 O TRP A 70 -3.126 30.573 72.495 1.00 62.24 O ATOM 1097 CB TRP A 70 -1.997 33.572 72.233 1.00 75.03 C ATOM 1098 CG TRP A 70 -3.215 33.959 73.018 1.00 1.20 C ATOM 1099 CD1 TRP A 70 -4.496 33.540 72.800 1.00 63.51 C ATOM 1100 CD2 TRP A 70 -3.265 34.841 74.144 1.00 71.45 C ATOM 1101 NE1 TRP A 70 -5.340 34.110 73.723 1.00 24.44 N ATOM 1102 CE2 TRP A 70 -4.610 34.911 74.558 1.00 70.24 C ATOM 1103 CE3 TRP A 70 -2.305 35.579 74.843 1.00 23.23 C ATOM 1104 CZ2 TRP A 70 -5.014 35.690 75.639 1.00 33.34 C ATOM 1105 CZ3 TRP A 70 -2.710 36.351 75.915 1.00 63.43 C ATOM 1106 CH2 TRP A 70 -4.054 36.401 76.305 1.00 35.23 C ATOM 0 H TRP A 70 0.391 33.045 71.934 1.00 22.32 H new ATOM 0 HA TRP A 70 -1.518 32.117 73.741 1.00 22.41 H new ATOM 0 HB2 TRP A 70 -1.241 34.350 72.342 1.00 75.03 H new ATOM 0 HB3 TRP A 70 -2.255 33.524 71.175 1.00 75.03 H new ATOM 0 HD1 TRP A 70 -4.801 32.861 72.018 1.00 63.51 H new ATOM 0 HE1 TRP A 70 -6.347 33.960 73.777 1.00 24.44 H new ATOM 0 HE3 TRP A 70 -1.266 35.546 74.550 1.00 23.23 H new ATOM 0 HZ2 TRP A 70 -6.050 35.731 75.941 1.00 33.34 H new ATOM 0 HZ3 TRP A 70 -1.977 36.926 76.462 1.00 63.43 H new ATOM 0 HH2 TRP A 70 -4.338 37.013 77.148 1.00 35.23 H new ATOM 1117 N ALA A 71 -1.650 30.698 70.801 1.00 12.03 N ATOM 1118 CA ALA A 71 -2.263 29.614 70.042 1.00 15.11 C ATOM 1119 C ALA A 71 -2.516 28.399 70.927 1.00 54.41 C ATOM 1120 O ALA A 71 -3.530 27.716 70.788 1.00 32.22 O ATOM 1121 CB ALA A 71 -1.384 29.235 68.860 1.00 12.54 C ATOM 0 H ALA A 71 -0.833 31.116 70.355 1.00 12.03 H new ATOM 0 HA ALA A 71 -3.225 29.964 69.668 1.00 15.11 H new ATOM 0 HB1 ALA A 71 -1.854 28.425 68.302 1.00 12.54 H new ATOM 0 HB2 ALA A 71 -1.259 30.099 68.208 1.00 12.54 H new ATOM 0 HB3 ALA A 71 -0.409 28.909 69.222 1.00 12.54 H new ATOM 1127 N LYS A 72 -1.587 28.134 71.841 1.00 22.13 N ATOM 1128 CA LYS A 72 -1.710 27.001 72.750 1.00 43.23 C ATOM 1129 C LYS A 72 -3.111 26.930 73.345 1.00 15.04 C ATOM 1130 O LYS A 72 -3.543 25.877 73.815 1.00 43.35 O ATOM 1131 CB LYS A 72 -0.672 27.107 73.871 1.00 33.32 C ATOM 1132 CG LYS A 72 0.011 25.790 74.194 1.00 53.11 C ATOM 1133 CD LYS A 72 1.396 25.714 73.575 1.00 71.34 C ATOM 1134 CE LYS A 72 1.325 25.461 72.078 1.00 45.11 C ATOM 1135 NZ LYS A 72 2.677 25.443 71.453 1.00 22.41 N ATOM 0 H LYS A 72 -0.741 28.689 71.971 1.00 22.13 H new ATOM 0 HA LYS A 72 -1.531 26.089 72.181 1.00 43.23 H new ATOM 0 HB2 LYS A 72 0.084 27.839 73.586 1.00 33.32 H new ATOM 0 HB3 LYS A 72 -1.158 27.485 74.770 1.00 33.32 H new ATOM 0 HG2 LYS A 72 0.088 25.674 75.275 1.00 53.11 H new ATOM 0 HG3 LYS A 72 -0.598 24.964 73.828 1.00 53.11 H new ATOM 0 HD2 LYS A 72 1.931 26.645 73.763 1.00 71.34 H new ATOM 0 HD3 LYS A 72 1.966 24.917 74.053 1.00 71.34 H new ATOM 0 HE2 LYS A 72 0.827 24.509 71.894 1.00 45.11 H new ATOM 0 HE3 LYS A 72 0.718 26.234 71.607 1.00 45.11 H new ATOM 0 HZ1 LYS A 72 2.585 25.268 70.432 1.00 22.41 H new ATOM 0 HZ2 LYS A 72 3.143 26.360 71.606 1.00 22.41 H new ATOM 0 HZ3 LYS A 72 3.249 24.688 71.884 1.00 22.41 H new ATOM 1149 N GLN A 73 -3.818 28.055 73.321 1.00 34.52 N ATOM 1150 CA GLN A 73 -5.172 28.119 73.858 1.00 21.01 C ATOM 1151 C GLN A 73 -6.107 27.189 73.090 1.00 4.12 C ATOM 1152 O GLN A 73 -6.707 26.282 73.666 1.00 1.43 O ATOM 1153 CB GLN A 73 -5.700 29.553 73.799 1.00 22.35 C ATOM 1154 CG GLN A 73 -5.204 30.431 74.936 1.00 45.44 C ATOM 1155 CD GLN A 73 -6.030 30.274 76.198 1.00 43.35 C ATOM 1156 OE1 GLN A 73 -7.259 30.285 76.154 1.00 15.32 O ATOM 1157 NE2 GLN A 73 -5.355 30.126 77.333 1.00 42.15 N ATOM 0 H GLN A 73 -3.475 28.935 72.935 1.00 34.52 H new ATOM 0 HA GLN A 73 -5.139 27.794 74.898 1.00 21.01 H new ATOM 0 HB2 GLN A 73 -5.405 30.001 72.850 1.00 22.35 H new ATOM 0 HB3 GLN A 73 -6.790 29.531 73.817 1.00 22.35 H new ATOM 0 HG2 GLN A 73 -4.165 30.184 75.154 1.00 45.44 H new ATOM 0 HG3 GLN A 73 -5.225 31.474 74.620 1.00 45.44 H new ATOM 0 HE21 GLN A 73 -4.335 30.123 77.323 1.00 42.15 H new ATOM 0 HE22 GLN A 73 -5.857 30.016 78.214 1.00 42.15 H new ATOM 1166 N HIS A 74 -6.224 27.421 71.786 1.00 21.10 N ATOM 1167 CA HIS A 74 -7.086 26.604 70.939 1.00 3.50 C ATOM 1168 C HIS A 74 -6.341 26.144 69.689 1.00 43.41 C ATOM 1169 O HIS A 74 -6.306 24.955 69.377 1.00 14.22 O ATOM 1170 CB HIS A 74 -8.337 27.386 70.542 1.00 12.22 C ATOM 1171 CG HIS A 74 -9.524 27.098 71.409 1.00 54.20 C ATOM 1172 ND1 HIS A 74 -10.456 26.126 71.112 1.00 41.14 N ATOM 1173 CD2 HIS A 74 -9.927 27.660 72.573 1.00 11.13 C ATOM 1174 CE1 HIS A 74 -11.382 26.104 72.054 1.00 61.24 C ATOM 1175 NE2 HIS A 74 -11.084 27.025 72.953 1.00 62.31 N ATOM 0 H HIS A 74 -5.733 28.167 71.293 1.00 21.10 H new ATOM 0 HA HIS A 74 -7.383 25.723 71.508 1.00 3.50 H new ATOM 0 HB2 HIS A 74 -8.117 28.453 70.584 1.00 12.22 H new ATOM 0 HB3 HIS A 74 -8.588 27.153 69.507 1.00 12.22 H new ATOM 0 HD2 HIS A 74 -9.431 28.459 73.104 1.00 11.13 H new ATOM 0 HE1 HIS A 74 -12.237 25.445 72.084 1.00 61.24 H new ATOM 0 HE2 HIS A 74 -11.625 27.231 73.793 1.00 62.31 H new ATOM 1183 N GLY A 75 -5.746 27.097 68.977 1.00 44.13 N ATOM 1184 CA GLY A 75 -5.011 26.770 67.769 1.00 55.13 C ATOM 1185 C GLY A 75 -5.766 27.148 66.510 1.00 41.21 C ATOM 1186 O GLY A 75 -5.163 27.417 65.472 1.00 62.12 O ATOM 0 H GLY A 75 -5.760 28.089 69.215 1.00 44.13 H new ATOM 0 HA2 GLY A 75 -4.050 27.285 67.781 1.00 55.13 H new ATOM 0 HA3 GLY A 75 -4.799 25.701 67.755 1.00 55.13 H new ATOM 1190 N THR A 76 -7.092 27.167 66.601 1.00 34.21 N ATOM 1191 CA THR A 76 -7.931 27.512 65.460 1.00 14.33 C ATOM 1192 C THR A 76 -8.223 29.008 65.425 1.00 4.13 C ATOM 1193 O THR A 76 -8.168 29.650 64.375 1.00 53.43 O ATOM 1194 CB THR A 76 -9.265 26.742 65.492 1.00 23.21 C ATOM 1195 OG1 THR A 76 -10.362 27.662 65.521 1.00 31.33 O ATOM 1196 CG2 THR A 76 -9.333 25.826 66.704 1.00 32.11 C ATOM 0 H THR A 76 -7.608 26.948 67.453 1.00 34.21 H new ATOM 0 HA THR A 76 -7.378 27.231 64.564 1.00 14.33 H new ATOM 0 HB THR A 76 -9.327 26.131 64.591 1.00 23.21 H new ATOM 0 HG1 THR A 76 -11.206 27.164 65.539 1.00 31.33 H new ATOM 0 HG21 THR A 76 -10.284 25.293 66.705 1.00 32.11 H new ATOM 0 HG22 THR A 76 -8.514 25.107 66.663 1.00 32.11 H new ATOM 0 HG23 THR A 76 -9.249 26.420 67.614 1.00 32.11 H new ATOM 1204 N PRO A 77 -8.539 29.579 66.597 1.00 23.41 N ATOM 1205 CA PRO A 77 -8.844 31.007 66.724 1.00 51.14 C ATOM 1206 C PRO A 77 -7.613 31.883 66.519 1.00 63.32 C ATOM 1207 O PRO A 77 -7.706 33.040 66.107 1.00 43.54 O ATOM 1208 CB PRO A 77 -9.355 31.133 68.162 1.00 21.24 C ATOM 1209 CG PRO A 77 -8.732 29.991 68.887 1.00 2.31 C ATOM 1210 CD PRO A 77 -8.624 28.874 67.886 1.00 51.44 C ATOM 0 HA PRO A 77 -9.559 31.340 65.971 1.00 51.14 H new ATOM 0 HB2 PRO A 77 -9.066 32.087 68.603 1.00 21.24 H new ATOM 0 HB3 PRO A 77 -10.443 31.081 68.201 1.00 21.24 H new ATOM 0 HG2 PRO A 77 -7.750 30.264 69.275 1.00 2.31 H new ATOM 0 HG3 PRO A 77 -9.340 29.692 69.741 1.00 2.31 H new ATOM 0 HD2 PRO A 77 -7.743 28.257 68.066 1.00 51.44 H new ATOM 0 HD3 PRO A 77 -9.490 28.213 67.926 1.00 51.44 H new ATOM 1218 N PRO A 78 -6.430 31.321 66.810 1.00 32.21 N ATOM 1219 CA PRO A 78 -5.157 32.034 66.663 1.00 31.25 C ATOM 1220 C PRO A 78 -4.794 32.275 65.202 1.00 64.44 C ATOM 1221 O PRO A 78 -4.198 31.417 64.548 1.00 55.21 O ATOM 1222 CB PRO A 78 -4.144 31.090 67.317 1.00 34.14 C ATOM 1223 CG PRO A 78 -4.758 29.737 67.202 1.00 0.01 C ATOM 1224 CD PRO A 78 -6.244 29.946 67.304 1.00 72.41 C ATOM 0 HA PRO A 78 -5.190 33.025 67.115 1.00 31.25 H new ATOM 0 HB2 PRO A 78 -3.180 31.132 66.810 1.00 34.14 H new ATOM 0 HB3 PRO A 78 -3.968 31.358 68.359 1.00 34.14 H new ATOM 0 HG2 PRO A 78 -4.494 29.268 66.254 1.00 0.01 H new ATOM 0 HG3 PRO A 78 -4.401 29.078 67.994 1.00 0.01 H new ATOM 0 HD2 PRO A 78 -6.794 29.224 66.700 1.00 72.41 H new ATOM 0 HD3 PRO A 78 -6.596 29.837 68.330 1.00 72.41 H new ATOM 1232 N THR A 79 -5.154 33.450 64.693 1.00 14.12 N ATOM 1233 CA THR A 79 -4.866 33.804 63.309 1.00 55.13 C ATOM 1234 C THR A 79 -4.750 35.314 63.142 1.00 63.52 C ATOM 1235 O THR A 79 -5.260 36.081 63.958 1.00 10.21 O ATOM 1236 CB THR A 79 -5.954 33.275 62.356 1.00 13.44 C ATOM 1237 OG1 THR A 79 -6.233 31.900 62.646 1.00 21.33 O ATOM 1238 CG2 THR A 79 -5.517 33.414 60.905 1.00 73.21 C ATOM 0 H THR A 79 -5.646 34.172 65.219 1.00 14.12 H new ATOM 0 HA THR A 79 -3.914 33.339 63.054 1.00 55.13 H new ATOM 0 HB THR A 79 -6.856 33.868 62.505 1.00 13.44 H new ATOM 0 HG1 THR A 79 -6.927 31.571 62.037 1.00 21.33 H new ATOM 0 HG21 THR A 79 -6.302 33.034 60.251 1.00 73.21 H new ATOM 0 HG22 THR A 79 -5.334 34.464 60.679 1.00 73.21 H new ATOM 0 HG23 THR A 79 -4.602 32.843 60.744 1.00 73.21 H new ATOM 1246 N ALA A 80 -4.077 35.737 62.076 1.00 0.15 N ATOM 1247 CA ALA A 80 -3.896 37.156 61.800 1.00 34.31 C ATOM 1248 C ALA A 80 -5.196 37.927 62.012 1.00 50.41 C ATOM 1249 O ALA A 80 -5.183 39.139 62.221 1.00 71.44 O ATOM 1250 CB ALA A 80 -3.387 37.357 60.380 1.00 33.11 C ATOM 0 H ALA A 80 -3.648 35.116 61.390 1.00 0.15 H new ATOM 0 HA ALA A 80 -3.155 37.545 62.498 1.00 34.31 H new ATOM 0 HB1 ALA A 80 -3.256 38.422 60.188 1.00 33.11 H new ATOM 0 HB2 ALA A 80 -2.431 36.847 60.260 1.00 33.11 H new ATOM 0 HB3 ALA A 80 -4.108 36.947 59.673 1.00 33.11 H new ATOM 1256 N SER A 81 -6.317 37.214 61.956 1.00 44.51 N ATOM 1257 CA SER A 81 -7.625 37.831 62.137 1.00 51.15 C ATOM 1258 C SER A 81 -7.895 38.108 63.614 1.00 61.53 C ATOM 1259 O SER A 81 -8.467 39.139 63.968 1.00 11.34 O ATOM 1260 CB SER A 81 -8.721 36.929 61.567 1.00 35.34 C ATOM 1261 OG SER A 81 -8.469 36.617 60.208 1.00 73.42 O ATOM 0 H SER A 81 -6.345 36.209 61.787 1.00 44.51 H new ATOM 0 HA SER A 81 -7.630 38.780 61.600 1.00 51.15 H new ATOM 0 HB2 SER A 81 -8.779 36.010 62.150 1.00 35.34 H new ATOM 0 HB3 SER A 81 -9.688 37.425 61.656 1.00 35.34 H new ATOM 0 HG SER A 81 -9.183 36.038 59.867 1.00 73.42 H new ATOM 1267 N ASP A 82 -7.479 37.180 64.468 1.00 1.14 N ATOM 1268 CA ASP A 82 -7.674 37.323 65.906 1.00 33.32 C ATOM 1269 C ASP A 82 -6.486 38.032 66.548 1.00 43.21 C ATOM 1270 O ASP A 82 -6.656 38.964 67.334 1.00 71.30 O ATOM 1271 CB ASP A 82 -7.878 35.952 66.554 1.00 64.05 C ATOM 1272 CG ASP A 82 -9.130 35.257 66.057 1.00 41.05 C ATOM 1273 OD1 ASP A 82 -9.098 34.706 64.937 1.00 3.44 O ATOM 1274 OD2 ASP A 82 -10.141 35.264 66.789 1.00 0.04 O ATOM 0 H ASP A 82 -7.005 36.321 64.190 1.00 1.14 H new ATOM 0 HA ASP A 82 -8.566 37.929 66.068 1.00 33.32 H new ATOM 0 HB2 ASP A 82 -7.011 35.324 66.348 1.00 64.05 H new ATOM 0 HB3 ASP A 82 -7.937 36.070 67.636 1.00 64.05 H new ATOM 1279 N VAL A 83 -5.281 37.582 66.209 1.00 34.51 N ATOM 1280 CA VAL A 83 -4.064 38.174 66.752 1.00 14.13 C ATOM 1281 C VAL A 83 -4.006 39.670 66.467 1.00 13.33 C ATOM 1282 O VAL A 83 -3.332 40.422 67.173 1.00 10.21 O ATOM 1283 CB VAL A 83 -2.807 37.502 66.170 1.00 44.23 C ATOM 1284 CG1 VAL A 83 -1.558 37.998 66.884 1.00 42.22 C ATOM 1285 CG2 VAL A 83 -2.920 35.988 66.265 1.00 41.34 C ATOM 0 H VAL A 83 -5.122 36.810 65.561 1.00 34.51 H new ATOM 0 HA VAL A 83 -4.087 38.014 67.830 1.00 14.13 H new ATOM 0 HB VAL A 83 -2.726 37.772 65.117 1.00 44.23 H new ATOM 0 HG11 VAL A 83 -0.679 37.512 66.460 1.00 42.22 H new ATOM 0 HG12 VAL A 83 -1.472 39.077 66.759 1.00 42.22 H new ATOM 0 HG13 VAL A 83 -1.627 37.760 67.945 1.00 42.22 H new ATOM 0 HG21 VAL A 83 -2.023 35.529 65.849 1.00 41.34 H new ATOM 0 HG22 VAL A 83 -3.026 35.696 67.310 1.00 41.34 H new ATOM 0 HG23 VAL A 83 -3.792 35.652 65.704 1.00 41.34 H new ATOM 1295 N VAL A 84 -4.717 40.098 65.428 1.00 52.31 N ATOM 1296 CA VAL A 84 -4.747 41.506 65.052 1.00 24.22 C ATOM 1297 C VAL A 84 -5.463 42.343 66.105 1.00 13.23 C ATOM 1298 O VAL A 84 -5.338 43.566 66.132 1.00 41.53 O ATOM 1299 CB VAL A 84 -5.444 41.707 63.692 1.00 73.41 C ATOM 1300 CG1 VAL A 84 -6.835 41.093 63.709 1.00 34.14 C ATOM 1301 CG2 VAL A 84 -5.510 43.186 63.342 1.00 44.02 C ATOM 0 H VAL A 84 -5.279 39.490 64.833 1.00 52.31 H new ATOM 0 HA VAL A 84 -3.711 41.835 64.975 1.00 24.22 H new ATOM 0 HB VAL A 84 -4.859 41.200 62.925 1.00 73.41 H new ATOM 0 HG11 VAL A 84 -7.312 41.245 62.741 1.00 34.14 H new ATOM 0 HG12 VAL A 84 -6.759 40.025 63.912 1.00 34.14 H new ATOM 0 HG13 VAL A 84 -7.433 41.569 64.486 1.00 34.14 H new ATOM 0 HG21 VAL A 84 -6.005 43.310 62.379 1.00 44.02 H new ATOM 0 HG22 VAL A 84 -6.072 43.717 64.110 1.00 44.02 H new ATOM 0 HG23 VAL A 84 -4.500 43.592 63.286 1.00 44.02 H new ATOM 1311 N GLY A 85 -6.215 41.673 66.975 1.00 40.13 N ATOM 1312 CA GLY A 85 -6.939 42.370 68.020 1.00 53.12 C ATOM 1313 C GLY A 85 -6.922 41.620 69.338 1.00 63.20 C ATOM 1314 O GLY A 85 -7.440 42.106 70.343 1.00 43.41 O ATOM 0 H GLY A 85 -6.335 40.660 66.973 1.00 40.13 H new ATOM 0 HA2 GLY A 85 -6.503 43.359 68.163 1.00 53.12 H new ATOM 0 HA3 GLY A 85 -7.971 42.520 67.704 1.00 53.12 H new ATOM 1318 N MET A 86 -6.328 40.431 69.332 1.00 53.21 N ATOM 1319 CA MET A 86 -6.247 39.612 70.535 1.00 42.54 C ATOM 1320 C MET A 86 -5.316 40.248 71.564 1.00 34.13 C ATOM 1321 O MET A 86 -5.638 40.347 72.748 1.00 55.55 O ATOM 1322 CB MET A 86 -5.756 38.205 70.188 1.00 54.11 C ATOM 1323 CG MET A 86 -5.984 37.192 71.298 1.00 2.31 C ATOM 1324 SD MET A 86 -6.785 35.687 70.711 1.00 11.10 S ATOM 1325 CE MET A 86 -5.487 34.987 69.694 1.00 74.01 C ATOM 0 H MET A 86 -5.896 40.014 68.508 1.00 53.21 H new ATOM 0 HA MET A 86 -7.246 39.545 70.966 1.00 42.54 H new ATOM 0 HB2 MET A 86 -6.264 37.864 69.286 1.00 54.11 H new ATOM 0 HB3 MET A 86 -4.691 38.247 69.958 1.00 54.11 H new ATOM 0 HG2 MET A 86 -5.027 36.936 71.753 1.00 2.31 H new ATOM 0 HG3 MET A 86 -6.597 37.645 72.078 1.00 2.31 H new ATOM 0 HE1 MET A 86 -5.751 33.966 69.419 1.00 74.01 H new ATOM 0 HE2 MET A 86 -5.368 35.587 68.792 1.00 74.01 H new ATOM 0 HE3 MET A 86 -4.551 34.982 70.252 1.00 74.01 H new ATOM 1335 N PRO A 87 -4.137 40.689 71.104 1.00 64.25 N ATOM 1336 CA PRO A 87 -3.137 41.322 71.968 1.00 72.55 C ATOM 1337 C PRO A 87 -3.576 42.702 72.447 1.00 52.42 C ATOM 1338 O PRO A 87 -4.661 43.171 72.106 1.00 60.21 O ATOM 1339 CB PRO A 87 -1.908 41.438 71.063 1.00 55.54 C ATOM 1340 CG PRO A 87 -2.458 41.467 69.679 1.00 43.13 C ATOM 1341 CD PRO A 87 -3.688 40.604 69.704 1.00 2.44 C ATOM 0 HA PRO A 87 -2.962 40.747 72.877 1.00 72.55 H new ATOM 0 HB2 PRO A 87 -1.339 42.342 71.282 1.00 55.54 H new ATOM 0 HB3 PRO A 87 -1.232 40.594 71.203 1.00 55.54 H new ATOM 0 HG2 PRO A 87 -2.702 42.486 69.377 1.00 43.13 H new ATOM 0 HG3 PRO A 87 -1.730 41.088 68.962 1.00 43.13 H new ATOM 0 HD2 PRO A 87 -4.449 40.970 69.015 1.00 2.44 H new ATOM 0 HD3 PRO A 87 -3.464 39.577 69.416 1.00 2.44 H new ATOM 1349 N GLN A 88 -2.725 43.346 73.241 1.00 31.13 N ATOM 1350 CA GLN A 88 -3.028 44.671 73.768 1.00 70.45 C ATOM 1351 C GLN A 88 -2.673 45.754 72.753 1.00 34.21 C ATOM 1352 O GLN A 88 -3.387 46.747 72.617 1.00 73.23 O ATOM 1353 CB GLN A 88 -2.267 44.911 75.073 1.00 45.11 C ATOM 1354 CG GLN A 88 -0.756 44.877 74.911 1.00 62.14 C ATOM 1355 CD GLN A 88 -0.024 45.041 76.228 1.00 43.41 C ATOM 1356 OE1 GLN A 88 -0.344 44.381 77.216 1.00 2.05 O ATOM 1357 NE2 GLN A 88 0.968 45.924 76.248 1.00 74.13 N ATOM 0 H GLN A 88 -1.822 42.972 73.533 1.00 31.13 H new ATOM 0 HA GLN A 88 -4.099 44.719 73.966 1.00 70.45 H new ATOM 0 HB2 GLN A 88 -2.559 45.879 75.481 1.00 45.11 H new ATOM 0 HB3 GLN A 88 -2.563 44.156 75.801 1.00 45.11 H new ATOM 0 HG2 GLN A 88 -0.465 43.932 74.453 1.00 62.14 H new ATOM 0 HG3 GLN A 88 -0.450 45.670 74.228 1.00 62.14 H new ATOM 0 HE21 GLN A 88 1.200 46.450 75.405 1.00 74.13 H new ATOM 0 HE22 GLN A 88 1.498 46.076 77.106 1.00 74.13 H new ATOM 1366 N TRP A 89 -1.569 45.554 72.043 1.00 55.52 N ATOM 1367 CA TRP A 89 -1.120 46.514 71.041 1.00 3.31 C ATOM 1368 C TRP A 89 -2.294 47.027 70.215 1.00 11.00 C ATOM 1369 O TRP A 89 -2.417 48.228 69.975 1.00 43.14 O ATOM 1370 CB TRP A 89 -0.076 45.874 70.124 1.00 32.23 C ATOM 1371 CG TRP A 89 -0.670 45.220 68.913 1.00 10.10 C ATOM 1372 CD1 TRP A 89 -0.953 43.894 68.753 1.00 14.41 C ATOM 1373 CD2 TRP A 89 -1.053 45.864 67.693 1.00 54.11 C ATOM 1374 NE1 TRP A 89 -1.488 43.675 67.507 1.00 4.34 N ATOM 1375 CE2 TRP A 89 -1.560 44.867 66.837 1.00 12.15 C ATOM 1376 CE3 TRP A 89 -1.018 47.185 67.241 1.00 63.53 C ATOM 1377 CZ2 TRP A 89 -2.026 45.152 65.557 1.00 32.03 C ATOM 1378 CZ3 TRP A 89 -1.481 47.466 65.969 1.00 71.41 C ATOM 1379 CH2 TRP A 89 -1.981 46.454 65.140 1.00 2.33 C ATOM 0 H TRP A 89 -0.968 44.736 72.142 1.00 55.52 H new ATOM 0 HA TRP A 89 -0.668 47.359 71.560 1.00 3.31 H new ATOM 0 HB2 TRP A 89 0.633 46.637 69.805 1.00 32.23 H new ATOM 0 HB3 TRP A 89 0.488 45.132 70.689 1.00 32.23 H new ATOM 0 HD1 TRP A 89 -0.781 43.130 69.497 1.00 14.41 H new ATOM 0 HE1 TRP A 89 -1.784 42.770 67.140 1.00 4.34 H new ATOM 0 HE3 TRP A 89 -0.636 47.973 67.874 1.00 63.53 H new ATOM 0 HZ2 TRP A 89 -2.410 44.373 64.915 1.00 32.03 H new ATOM 0 HZ3 TRP A 89 -1.457 48.484 65.608 1.00 71.41 H new ATOM 0 HH2 TRP A 89 -2.338 46.706 64.152 1.00 2.33 H new ATOM 1390 N GLN A 90 -3.155 46.111 69.784 1.00 43.11 N ATOM 1391 CA GLN A 90 -4.319 46.472 68.984 1.00 52.11 C ATOM 1392 C GLN A 90 -5.052 47.661 69.598 1.00 62.51 C ATOM 1393 O GLN A 90 -5.474 48.574 68.889 1.00 64.43 O ATOM 1394 CB GLN A 90 -5.269 45.280 68.861 1.00 63.22 C ATOM 1395 CG GLN A 90 -5.861 44.833 70.187 1.00 10.31 C ATOM 1396 CD GLN A 90 -7.186 45.503 70.492 1.00 64.42 C ATOM 1397 OE1 GLN A 90 -7.891 45.950 69.585 1.00 53.35 O ATOM 1398 NE2 GLN A 90 -7.534 45.576 71.771 1.00 62.44 N ATOM 0 H GLN A 90 -3.068 45.113 69.976 1.00 43.11 H new ATOM 0 HA GLN A 90 -3.973 46.755 67.990 1.00 52.11 H new ATOM 0 HB2 GLN A 90 -6.080 45.541 68.181 1.00 63.22 H new ATOM 0 HB3 GLN A 90 -4.733 44.444 68.412 1.00 63.22 H new ATOM 0 HG2 GLN A 90 -6.000 43.752 70.172 1.00 10.31 H new ATOM 0 HG3 GLN A 90 -5.155 45.052 70.988 1.00 10.31 H new ATOM 0 HE21 GLN A 90 -6.920 45.193 72.489 1.00 62.44 H new ATOM 0 HE22 GLN A 90 -8.416 46.015 72.035 1.00 62.44 H new ATOM 1407 N GLU A 91 -5.199 47.642 70.918 1.00 54.20 N ATOM 1408 CA GLU A 91 -5.883 48.719 71.626 1.00 22.02 C ATOM 1409 C GLU A 91 -4.934 49.883 71.892 1.00 31.30 C ATOM 1410 O GLU A 91 -5.293 51.046 71.703 1.00 12.10 O ATOM 1411 CB GLU A 91 -6.460 48.205 72.946 1.00 12.23 C ATOM 1412 CG GLU A 91 -7.912 48.597 73.170 1.00 51.12 C ATOM 1413 CD GLU A 91 -8.664 47.591 74.018 1.00 5.44 C ATOM 1414 OE1 GLU A 91 -8.233 47.342 75.164 1.00 51.31 O ATOM 1415 OE2 GLU A 91 -9.683 47.052 73.537 1.00 52.23 O ATOM 0 H GLU A 91 -4.854 46.894 71.519 1.00 54.20 H new ATOM 0 HA GLU A 91 -6.698 49.074 70.995 1.00 22.02 H new ATOM 0 HB2 GLU A 91 -6.378 47.118 72.970 1.00 12.23 H new ATOM 0 HB3 GLU A 91 -5.858 48.588 73.770 1.00 12.23 H new ATOM 0 HG2 GLU A 91 -7.950 49.574 73.652 1.00 51.12 H new ATOM 0 HG3 GLU A 91 -8.410 48.698 72.206 1.00 51.12 H new ATOM 1422 N TYR A 92 -3.722 49.563 72.331 1.00 13.10 N ATOM 1423 CA TYR A 92 -2.722 50.582 72.626 1.00 72.02 C ATOM 1424 C TYR A 92 -2.484 51.479 71.415 1.00 33.34 C ATOM 1425 O TYR A 92 -2.736 52.683 71.460 1.00 33.53 O ATOM 1426 CB TYR A 92 -1.409 49.927 73.056 1.00 45.22 C ATOM 1427 CG TYR A 92 -1.332 49.637 74.537 1.00 15.00 C ATOM 1428 CD1 TYR A 92 -1.094 50.654 75.453 1.00 55.43 C ATOM 1429 CD2 TYR A 92 -1.501 48.346 75.023 1.00 62.52 C ATOM 1430 CE1 TYR A 92 -1.022 50.393 76.808 1.00 74.51 C ATOM 1431 CE2 TYR A 92 -1.433 48.076 76.375 1.00 74.25 C ATOM 1432 CZ TYR A 92 -1.193 49.103 77.264 1.00 54.22 C ATOM 1433 OH TYR A 92 -1.125 48.840 78.614 1.00 65.13 O ATOM 0 H TYR A 92 -3.408 48.606 72.490 1.00 13.10 H new ATOM 0 HA TYR A 92 -3.098 51.198 73.443 1.00 72.02 H new ATOM 0 HB2 TYR A 92 -1.280 48.995 72.505 1.00 45.22 H new ATOM 0 HB3 TYR A 92 -0.580 50.578 72.779 1.00 45.22 H new ATOM 0 HD1 TYR A 92 -0.963 51.666 75.100 1.00 55.43 H new ATOM 0 HD2 TYR A 92 -1.689 47.539 74.330 1.00 62.52 H new ATOM 0 HE1 TYR A 92 -0.833 51.195 77.506 1.00 74.51 H new ATOM 0 HE2 TYR A 92 -1.567 47.066 76.735 1.00 74.25 H new ATOM 0 HH TYR A 92 -1.268 47.883 78.768 1.00 65.13 H new ATOM 1443 N THR A 93 -1.997 50.882 70.332 1.00 33.44 N ATOM 1444 CA THR A 93 -1.725 51.625 69.107 1.00 53.24 C ATOM 1445 C THR A 93 -2.911 52.499 68.718 1.00 1.04 C ATOM 1446 O THR A 93 -2.760 53.478 67.988 1.00 20.35 O ATOM 1447 CB THR A 93 -1.392 50.679 67.939 1.00 31.32 C ATOM 1448 OG1 THR A 93 -0.873 51.428 66.835 1.00 30.31 O ATOM 1449 CG2 THR A 93 -2.628 49.908 67.498 1.00 51.43 C ATOM 0 H THR A 93 -1.783 49.886 70.278 1.00 33.44 H new ATOM 0 HA THR A 93 -0.862 52.260 69.308 1.00 53.24 H new ATOM 0 HB THR A 93 -0.641 49.967 68.280 1.00 31.32 H new ATOM 0 HG1 THR A 93 -0.346 50.837 66.258 1.00 30.31 H new ATOM 0 HG21 THR A 93 -2.368 49.246 66.672 1.00 51.43 H new ATOM 0 HG22 THR A 93 -3.005 49.316 68.332 1.00 51.43 H new ATOM 0 HG23 THR A 93 -3.397 50.609 67.174 1.00 51.43 H new ATOM 1457 N ALA A 94 -4.093 52.138 69.211 1.00 44.45 N ATOM 1458 CA ALA A 94 -5.305 52.890 68.916 1.00 74.54 C ATOM 1459 C ALA A 94 -5.461 54.073 69.866 1.00 61.53 C ATOM 1460 O ALA A 94 -5.815 55.176 69.447 1.00 4.11 O ATOM 1461 CB ALA A 94 -6.523 51.982 68.997 1.00 70.45 C ATOM 0 H ALA A 94 -4.235 51.329 69.816 1.00 44.45 H new ATOM 0 HA ALA A 94 -5.223 53.280 67.901 1.00 74.54 H new ATOM 0 HB1 ALA A 94 -7.421 52.558 68.774 1.00 70.45 H new ATOM 0 HB2 ALA A 94 -6.422 51.173 68.274 1.00 70.45 H new ATOM 0 HB3 ALA A 94 -6.599 51.564 70.001 1.00 70.45 H new ATOM 1467 N MET A 95 -5.195 53.838 71.146 1.00 13.24 N ATOM 1468 CA MET A 95 -5.307 54.885 72.155 1.00 41.54 C ATOM 1469 C MET A 95 -4.490 56.110 71.759 1.00 74.32 C ATOM 1470 O MET A 95 -4.770 57.225 72.201 1.00 73.53 O ATOM 1471 CB MET A 95 -4.839 54.364 73.516 1.00 2.44 C ATOM 1472 CG MET A 95 -5.676 54.867 74.680 1.00 4.42 C ATOM 1473 SD MET A 95 -4.728 55.010 76.207 1.00 71.23 S ATOM 1474 CE MET A 95 -5.808 56.056 77.179 1.00 14.00 C ATOM 0 H MET A 95 -4.900 52.932 71.510 1.00 13.24 H new ATOM 0 HA MET A 95 -6.355 55.176 72.226 1.00 41.54 H new ATOM 0 HB2 MET A 95 -4.863 53.274 73.506 1.00 2.44 H new ATOM 0 HB3 MET A 95 -3.801 54.659 73.671 1.00 2.44 H new ATOM 0 HG2 MET A 95 -6.097 55.840 74.426 1.00 4.42 H new ATOM 0 HG3 MET A 95 -6.514 54.189 74.840 1.00 4.42 H new ATOM 0 HE1 MET A 95 -5.296 56.989 77.414 1.00 14.00 H new ATOM 0 HE2 MET A 95 -6.713 56.272 76.611 1.00 14.00 H new ATOM 0 HE3 MET A 95 -6.074 55.545 78.104 1.00 14.00 H new ATOM 1484 N LEU A 96 -3.478 55.897 70.924 1.00 34.53 N ATOM 1485 CA LEU A 96 -2.621 56.985 70.469 1.00 64.52 C ATOM 1486 C LEU A 96 -3.384 57.931 69.545 1.00 40.51 C ATOM 1487 O LEU A 96 -3.515 59.121 69.831 1.00 31.14 O ATOM 1488 CB LEU A 96 -1.396 56.425 69.743 1.00 74.43 C ATOM 1489 CG LEU A 96 -0.796 55.147 70.329 1.00 22.25 C ATOM 1490 CD1 LEU A 96 0.487 54.777 69.601 1.00 41.22 C ATOM 1491 CD2 LEU A 96 -0.538 55.311 71.819 1.00 73.32 C ATOM 0 H LEU A 96 -3.232 54.981 70.549 1.00 34.53 H new ATOM 0 HA LEU A 96 -2.294 57.547 71.344 1.00 64.52 H new ATOM 0 HB2 LEU A 96 -1.670 56.232 68.706 1.00 74.43 H new ATOM 0 HB3 LEU A 96 -0.623 57.193 69.731 1.00 74.43 H new ATOM 0 HG LEU A 96 -1.513 54.338 70.193 1.00 22.25 H new ATOM 0 HD11 LEU A 96 0.900 53.865 70.032 1.00 41.22 H new ATOM 0 HD12 LEU A 96 0.272 54.614 68.545 1.00 41.22 H new ATOM 0 HD13 LEU A 96 1.210 55.586 69.704 1.00 41.22 H new ATOM 0 HD21 LEU A 96 -0.111 54.391 72.218 1.00 73.32 H new ATOM 0 HD22 LEU A 96 0.159 56.134 71.979 1.00 73.32 H new ATOM 0 HD23 LEU A 96 -1.477 55.526 72.329 1.00 73.32 H new ATOM 1503 N ARG A 97 -3.886 57.392 68.439 1.00 3.13 N ATOM 1504 CA ARG A 97 -4.637 58.187 67.475 1.00 32.41 C ATOM 1505 C ARG A 97 -6.013 58.553 68.026 1.00 44.03 C ATOM 1506 O ARG A 97 -6.596 59.566 67.642 1.00 23.00 O ATOM 1507 CB ARG A 97 -4.791 57.421 66.160 1.00 0.30 C ATOM 1508 CG ARG A 97 -5.295 55.999 66.338 1.00 14.34 C ATOM 1509 CD ARG A 97 -4.419 55.000 65.599 1.00 11.25 C ATOM 1510 NE ARG A 97 -4.956 54.672 64.280 1.00 12.21 N ATOM 1511 CZ ARG A 97 -5.958 53.822 64.086 1.00 4.41 C ATOM 1512 NH1 ARG A 97 -6.530 53.218 65.118 1.00 20.32 N ATOM 1513 NH2 ARG A 97 -6.391 53.575 62.855 1.00 41.34 N ATOM 0 H ARG A 97 -3.786 56.408 68.188 1.00 3.13 H new ATOM 0 HA ARG A 97 -4.082 59.107 67.290 1.00 32.41 H new ATOM 0 HB2 ARG A 97 -5.480 57.963 65.512 1.00 0.30 H new ATOM 0 HB3 ARG A 97 -3.828 57.395 65.650 1.00 0.30 H new ATOM 0 HG2 ARG A 97 -5.317 55.750 67.399 1.00 14.34 H new ATOM 0 HG3 ARG A 97 -6.319 55.927 65.972 1.00 14.34 H new ATOM 0 HD2 ARG A 97 -3.415 55.409 65.490 1.00 11.25 H new ATOM 0 HD3 ARG A 97 -4.329 54.089 66.191 1.00 11.25 H new ATOM 0 HE ARG A 97 -4.539 55.120 63.464 1.00 12.21 H new ATOM 0 HH11 ARG A 97 -6.201 53.405 66.065 1.00 20.32 H new ATOM 0 HH12 ARG A 97 -7.299 52.566 64.965 1.00 20.32 H new ATOM 0 HH21 ARG A 97 -5.954 54.038 62.058 1.00 41.34 H new ATOM 0 HH22 ARG A 97 -7.160 52.922 62.706 1.00 41.34 H new ATOM 1527 N GLU A 98 -6.524 57.720 68.928 1.00 61.44 N ATOM 1528 CA GLU A 98 -7.831 57.957 69.530 1.00 12.52 C ATOM 1529 C GLU A 98 -7.735 58.987 70.651 1.00 55.44 C ATOM 1530 O GLU A 98 -8.441 59.996 70.644 1.00 64.35 O ATOM 1531 CB GLU A 98 -8.411 56.649 70.072 1.00 54.31 C ATOM 1532 CG GLU A 98 -9.746 56.822 70.776 1.00 14.31 C ATOM 1533 CD GLU A 98 -10.430 55.499 71.063 1.00 42.43 C ATOM 1534 OE1 GLU A 98 -9.847 54.676 71.800 1.00 23.21 O ATOM 1535 OE2 GLU A 98 -11.549 55.287 70.550 1.00 52.50 O ATOM 0 H GLU A 98 -6.054 56.877 69.257 1.00 61.44 H new ATOM 0 HA GLU A 98 -8.493 58.348 68.758 1.00 12.52 H new ATOM 0 HB2 GLU A 98 -8.533 55.946 69.248 1.00 54.31 H new ATOM 0 HB3 GLU A 98 -7.698 56.205 70.767 1.00 54.31 H new ATOM 0 HG2 GLU A 98 -9.592 57.358 71.713 1.00 14.31 H new ATOM 0 HG3 GLU A 98 -10.400 57.439 70.160 1.00 14.31 H new ATOM 1542 N ARG A 99 -6.858 58.725 71.615 1.00 53.31 N ATOM 1543 CA ARG A 99 -6.671 59.627 72.745 1.00 62.34 C ATOM 1544 C ARG A 99 -5.675 60.732 72.399 1.00 31.33 C ATOM 1545 O ARG A 99 -5.941 61.913 72.623 1.00 44.52 O ATOM 1546 CB ARG A 99 -6.182 58.852 73.970 1.00 63.50 C ATOM 1547 CG ARG A 99 -6.516 59.525 75.290 1.00 73.15 C ATOM 1548 CD ARG A 99 -7.932 59.201 75.739 1.00 50.23 C ATOM 1549 NE ARG A 99 -8.120 59.434 77.168 1.00 51.24 N ATOM 1550 CZ ARG A 99 -9.284 59.288 77.791 1.00 63.50 C ATOM 1551 NH1 ARG A 99 -10.359 58.910 77.112 1.00 4.22 N ATOM 1552 NH2 ARG A 99 -9.375 59.520 79.093 1.00 12.25 N ATOM 0 H ARG A 99 -6.266 57.895 71.636 1.00 53.31 H new ATOM 0 HA ARG A 99 -7.633 60.085 72.974 1.00 62.34 H new ATOM 0 HB2 ARG A 99 -6.623 57.855 73.958 1.00 63.50 H new ATOM 0 HB3 ARG A 99 -5.102 58.724 73.901 1.00 63.50 H new ATOM 0 HG2 ARG A 99 -5.808 59.202 76.053 1.00 73.15 H new ATOM 0 HG3 ARG A 99 -6.404 60.604 75.188 1.00 73.15 H new ATOM 0 HD2 ARG A 99 -8.639 59.811 75.176 1.00 50.23 H new ATOM 0 HD3 ARG A 99 -8.156 58.159 75.509 1.00 50.23 H new ATOM 0 HE ARG A 99 -7.312 59.725 77.719 1.00 51.24 H new ATOM 0 HH11 ARG A 99 -10.292 58.731 76.110 1.00 4.22 H new ATOM 0 HH12 ARG A 99 -11.252 58.798 77.592 1.00 4.22 H new ATOM 0 HH21 ARG A 99 -8.550 59.811 79.618 1.00 12.25 H new ATOM 0 HH22 ARG A 99 -10.270 59.407 79.570 1.00 12.25 H new ATOM 1566 N PHE A 100 -4.530 60.339 71.851 1.00 33.41 N ATOM 1567 CA PHE A 100 -3.495 61.296 71.476 1.00 22.25 C ATOM 1568 C PHE A 100 -3.245 62.295 72.601 1.00 64.44 C ATOM 1569 O PHE A 100 -2.916 63.455 72.352 1.00 35.14 O ATOM 1570 CB PHE A 100 -3.895 62.036 70.198 1.00 60.53 C ATOM 1571 CG PHE A 100 -5.200 62.771 70.315 1.00 4.35 C ATOM 1572 CD1 PHE A 100 -6.400 62.118 70.083 1.00 74.11 C ATOM 1573 CD2 PHE A 100 -5.227 64.114 70.655 1.00 45.42 C ATOM 1574 CE1 PHE A 100 -7.604 62.790 70.190 1.00 43.25 C ATOM 1575 CE2 PHE A 100 -6.426 64.791 70.763 1.00 15.25 C ATOM 1576 CZ PHE A 100 -7.616 64.129 70.529 1.00 51.31 C ATOM 0 H PHE A 100 -4.295 59.366 71.657 1.00 33.41 H new ATOM 0 HA PHE A 100 -2.573 60.744 71.294 1.00 22.25 H new ATOM 0 HB2 PHE A 100 -3.110 62.745 69.937 1.00 60.53 H new ATOM 0 HB3 PHE A 100 -3.962 61.320 69.379 1.00 60.53 H new ATOM 0 HD1 PHE A 100 -6.395 61.072 69.815 1.00 74.11 H new ATOM 0 HD2 PHE A 100 -4.300 64.637 70.838 1.00 45.42 H new ATOM 0 HE1 PHE A 100 -8.533 62.269 70.009 1.00 43.25 H new ATOM 0 HE2 PHE A 100 -6.433 65.837 71.030 1.00 15.25 H new ATOM 0 HZ PHE A 100 -8.554 64.658 70.611 1.00 51.31 H new ATOM 1586 N ALA A 101 -3.403 61.837 73.838 1.00 24.10 N ATOM 1587 CA ALA A 101 -3.193 62.691 75.001 1.00 1.21 C ATOM 1588 C ALA A 101 -2.084 63.705 74.745 1.00 63.53 C ATOM 1589 O ALA A 101 -2.182 64.862 75.151 1.00 30.43 O ATOM 1590 CB ALA A 101 -2.865 61.845 76.223 1.00 53.12 C ATOM 0 H ALA A 101 -3.676 60.880 74.061 1.00 24.10 H new ATOM 0 HA ALA A 101 -4.115 63.241 75.189 1.00 1.21 H new ATOM 0 HB1 ALA A 101 -2.710 62.495 77.084 1.00 53.12 H new ATOM 0 HB2 ALA A 101 -3.691 61.163 76.426 1.00 53.12 H new ATOM 0 HB3 ALA A 101 -1.958 61.270 76.035 1.00 53.12 H new ATOM 1596 N GLY A 102 -1.027 63.264 74.067 1.00 34.14 N ATOM 1597 CA GLY A 102 0.085 64.146 73.769 1.00 52.10 C ATOM 1598 C GLY A 102 0.849 63.718 72.533 1.00 61.12 C ATOM 1599 O GLY A 102 0.936 64.466 71.557 1.00 13.32 O ATOM 0 H GLY A 102 -0.922 62.311 73.719 1.00 34.14 H new ATOM 0 HA2 GLY A 102 -0.288 65.161 73.629 1.00 52.10 H new ATOM 0 HA3 GLY A 102 0.764 64.171 74.622 1.00 52.10 H new ATOM 1603 N LEU A 103 1.406 62.513 72.571 1.00 60.52 N ATOM 1604 CA LEU A 103 2.170 61.987 71.444 1.00 73.22 C ATOM 1605 C LEU A 103 3.252 62.972 71.013 1.00 25.22 C ATOM 1606 O LEU A 103 3.587 63.062 69.832 1.00 20.04 O ATOM 1607 CB LEU A 103 1.239 61.687 70.269 1.00 4.15 C ATOM 1608 CG LEU A 103 0.105 60.698 70.545 1.00 40.22 C ATOM 1609 CD1 LEU A 103 -0.550 60.259 69.245 1.00 63.32 C ATOM 1610 CD2 LEU A 103 0.625 59.493 71.316 1.00 0.01 C ATOM 0 H LEU A 103 1.343 61.881 73.369 1.00 60.52 H new ATOM 0 HA LEU A 103 2.653 61.063 71.762 1.00 73.22 H new ATOM 0 HB2 LEU A 103 0.801 62.626 69.930 1.00 4.15 H new ATOM 0 HB3 LEU A 103 1.839 61.300 69.446 1.00 4.15 H new ATOM 0 HG LEU A 103 -0.647 61.198 71.155 1.00 40.22 H new ATOM 0 HD11 LEU A 103 -1.354 59.556 69.462 1.00 63.32 H new ATOM 0 HD12 LEU A 103 -0.958 61.129 68.731 1.00 63.32 H new ATOM 0 HD13 LEU A 103 0.192 59.777 68.609 1.00 63.32 H new ATOM 0 HD21 LEU A 103 -0.195 58.800 71.504 1.00 0.01 H new ATOM 0 HD22 LEU A 103 1.397 58.992 70.731 1.00 0.01 H new ATOM 0 HD23 LEU A 103 1.046 59.823 72.266 1.00 0.01 H new