USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 72 THR OG1 : rot -84:sc= 1.65 USER MOD Set 1.2: A 75 GLN : amide:sc= 1.02 K(o=2.7,f=1.8) USER MOD Set 2.1: A 48 CYS SG : rot 70:sc= 0.587 USER MOD Set 2.2: A 55 MET CE :methyl 165:sc= -0.041 (180deg=-0.395) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.796 K(o=1.6,f=0.66) USER MOD Set 3.2: A 31 GLN : amide:sc= 0.826 K(o=1.6,f=0.66) USER MOD Single : A 17 HIS : no HD1:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -172:sc=-0.000589 (180deg=-0.0347) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 1.22 (180deg=1.03) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.439 K(o=0.44,f=-2.8!) USER MOD Single : A 54 SER OG : rot 180:sc= -0.0885 USER MOD Single : A 57 GLN : amide:sc=-0.00368 X(o=-0.0037,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.028) USER MOD Single : A 68 ASN : amide:sc= 0.996 K(o=1,f=-0.0051) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 159:sc=-0.00312 (180deg=-0.0405) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 64.610 21.429 45.902 1.00 1.00 N ATOM 245 CA HIS A 17 65.375 21.901 44.781 1.00 1.00 C ATOM 246 C HIS A 17 66.821 21.515 44.685 1.00 1.00 C ATOM 247 O HIS A 17 67.474 21.110 45.645 1.00 1.00 O ATOM 248 CB HIS A 17 65.307 23.434 44.639 1.00 1.00 C ATOM 249 CG HIS A 17 66.200 24.199 45.574 1.00 1.00 C ATOM 250 ND1 HIS A 17 65.811 24.610 46.820 1.00 1.00 N ATOM 251 CD2 HIS A 17 67.485 24.609 45.413 1.00 1.00 C ATOM 252 CE1 HIS A 17 66.808 25.260 47.394 1.00 1.00 C ATOM 253 NE2 HIS A 17 67.832 25.275 46.559 1.00 1.00 N ATOM 0 HA HIS A 17 64.872 21.371 43.972 1.00 1.00 H new ATOM 0 HB2 HIS A 17 65.566 23.701 43.614 1.00 1.00 H new ATOM 0 HB3 HIS A 17 64.278 23.753 44.801 1.00 1.00 H new ATOM 0 HD2 HIS A 17 68.112 24.442 44.549 1.00 1.00 H new ATOM 0 HE1 HIS A 17 66.789 25.704 48.378 1.00 1.00 H new ATOM 0 HE2 HIS A 17 68.736 25.712 46.739 1.00 1.00 H new ATOM 262 N ILE A 18 67.371 21.683 43.470 1.00 1.00 N ATOM 263 CA ILE A 18 68.716 21.440 43.038 1.00 1.00 C ATOM 264 C ILE A 18 69.101 22.564 42.128 1.00 1.00 C ATOM 265 O ILE A 18 68.235 23.288 41.638 1.00 1.00 O ATOM 266 CB ILE A 18 68.889 20.149 42.282 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.970 20.012 41.053 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.717 18.969 43.254 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.575 19.080 40.003 1.00 1.00 C ATOM 0 H ILE A 18 66.802 22.031 42.698 1.00 1.00 H new ATOM 0 HA ILE A 18 69.340 21.370 43.929 1.00 1.00 H new ATOM 0 HB ILE A 18 69.898 20.147 41.870 1.00 1.00 H new ATOM 0 HG12 ILE A 18 66.998 19.629 41.365 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.799 20.995 40.614 1.00 1.00 H new ATOM 0 HG21 ILE A 18 68.841 18.031 42.713 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.467 19.035 44.043 1.00 1.00 H new ATOM 0 HG23 ILE A 18 67.721 19.004 43.696 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.900 19.006 39.150 1.00 1.00 H new ATOM 0 HD12 ILE A 18 69.535 19.478 39.673 1.00 1.00 H new ATOM 0 HD13 ILE A 18 68.722 18.091 40.436 1.00 1.00 H new ATOM 281 N ASN A 19 70.399 22.813 41.882 1.00 1.00 N ATOM 282 CA ASN A 19 70.820 23.664 40.806 1.00 1.00 C ATOM 283 C ASN A 19 71.520 22.853 39.757 1.00 1.00 C ATOM 284 O ASN A 19 72.192 21.853 40.004 1.00 1.00 O ATOM 285 CB ASN A 19 71.711 24.862 41.192 1.00 1.00 C ATOM 286 CG ASN A 19 71.099 25.852 42.175 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.885 27.014 41.829 1.00 1.00 O ATOM 288 ND2 ASN A 19 70.859 25.441 43.447 1.00 1.00 N ATOM 0 H ASN A 19 71.165 22.423 42.431 1.00 1.00 H new ATOM 0 HA ASN A 19 69.894 24.104 40.436 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.637 24.479 41.620 1.00 1.00 H new ATOM 0 HB3 ASN A 19 71.979 25.400 40.283 1.00 1.00 H new ATOM 0 HD21 ASN A 19 70.495 26.099 44.136 1.00 1.00 H new ATOM 0 HD22 ASN A 19 71.043 24.474 43.714 1.00 1.00 H new ATOM 295 N LEU A 20 71.342 23.228 38.479 1.00 1.00 N ATOM 296 CA LEU A 20 71.989 22.554 37.392 1.00 1.00 C ATOM 297 C LEU A 20 72.440 23.607 36.428 1.00 1.00 C ATOM 298 O LEU A 20 71.905 24.714 36.425 1.00 1.00 O ATOM 299 CB LEU A 20 71.056 21.491 36.776 1.00 1.00 C ATOM 300 CG LEU A 20 70.062 21.958 35.695 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.229 20.784 35.156 1.00 1.00 C ATOM 302 CD2 LEU A 20 69.065 23.046 36.125 1.00 1.00 C ATOM 0 H LEU A 20 70.745 24.005 38.194 1.00 1.00 H new ATOM 0 HA LEU A 20 72.863 21.993 37.722 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.678 20.707 36.345 1.00 1.00 H new ATOM 0 HB3 LEU A 20 70.484 21.036 37.585 1.00 1.00 H new ATOM 0 HG LEU A 20 70.717 22.389 34.938 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.538 21.147 34.395 1.00 1.00 H new ATOM 0 HD12 LEU A 20 69.892 20.038 34.717 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.665 20.333 35.973 1.00 1.00 H new ATOM 0 HD21 LEU A 20 68.416 23.297 35.286 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.461 22.678 36.954 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.611 23.936 36.440 1.00 1.00 H new ATOM 314 N LYS A 21 73.452 23.353 35.579 1.00 1.00 N ATOM 315 CA LYS A 21 73.969 24.244 34.582 1.00 1.00 C ATOM 316 C LYS A 21 73.981 23.640 33.214 1.00 1.00 C ATOM 317 O LYS A 21 74.085 22.426 33.037 1.00 1.00 O ATOM 318 CB LYS A 21 75.380 24.728 34.969 1.00 1.00 C ATOM 319 CG LYS A 21 76.511 23.726 34.707 1.00 1.00 C ATOM 320 CD LYS A 21 77.755 23.994 35.558 1.00 1.00 C ATOM 321 CE LYS A 21 77.624 23.451 36.983 1.00 1.00 C ATOM 322 NZ LYS A 21 78.826 23.818 37.760 1.00 1.00 N ATOM 0 H LYS A 21 73.945 22.460 35.590 1.00 1.00 H new ATOM 0 HA LYS A 21 73.293 25.098 34.544 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.595 25.645 34.420 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.381 24.983 36.029 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.150 22.718 34.909 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.784 23.762 33.652 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.623 23.540 35.079 1.00 1.00 H new ATOM 0 HD3 LYS A 21 77.938 25.068 35.598 1.00 1.00 H new ATOM 0 HE2 LYS A 21 76.732 23.858 37.459 1.00 1.00 H new ATOM 0 HE3 LYS A 21 77.508 22.367 36.962 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 78.739 23.450 38.729 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 79.669 23.409 37.309 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 78.917 24.854 37.790 1.00 1.00 H new ATOM 336 N VAL A 22 73.850 24.485 32.178 1.00 1.00 N ATOM 337 CA VAL A 22 73.832 24.104 30.794 1.00 1.00 C ATOM 338 C VAL A 22 75.008 24.744 30.126 1.00 1.00 C ATOM 339 O VAL A 22 75.183 25.959 30.203 1.00 1.00 O ATOM 340 CB VAL A 22 72.546 24.546 30.146 1.00 1.00 C ATOM 341 CG1 VAL A 22 72.607 24.577 28.610 1.00 1.00 C ATOM 342 CG2 VAL A 22 71.425 23.570 30.541 1.00 1.00 C ATOM 0 H VAL A 22 73.751 25.492 32.310 1.00 1.00 H new ATOM 0 HA VAL A 22 73.893 23.020 30.698 1.00 1.00 H new ATOM 0 HB VAL A 22 72.362 25.562 30.495 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.646 24.904 28.214 1.00 1.00 H new ATOM 0 HG12 VAL A 22 73.386 25.270 28.291 1.00 1.00 H new ATOM 0 HG13 VAL A 22 72.833 23.579 28.235 1.00 1.00 H new ATOM 0 HG21 VAL A 22 70.490 23.883 30.076 1.00 1.00 H new ATOM 0 HG22 VAL A 22 71.681 22.566 30.203 1.00 1.00 H new ATOM 0 HG23 VAL A 22 71.309 23.569 31.625 1.00 1.00 H new ATOM 352 N ALA A 23 75.864 23.942 29.464 1.00 1.00 N ATOM 353 CA ALA A 23 77.071 24.402 28.842 1.00 1.00 C ATOM 354 C ALA A 23 77.165 24.047 27.389 1.00 1.00 C ATOM 355 O ALA A 23 76.992 22.900 26.973 1.00 1.00 O ATOM 356 CB ALA A 23 78.287 23.828 29.591 1.00 1.00 C ATOM 0 H ALA A 23 75.711 22.939 29.358 1.00 1.00 H new ATOM 0 HA ALA A 23 77.058 25.490 28.899 1.00 1.00 H new ATOM 0 HB1 ALA A 23 79.204 24.178 29.118 1.00 1.00 H new ATOM 0 HB2 ALA A 23 78.265 24.160 30.629 1.00 1.00 H new ATOM 0 HB3 ALA A 23 78.254 22.739 29.557 1.00 1.00 H new ATOM 362 N GLY A 24 77.480 25.051 26.549 1.00 1.00 N ATOM 363 CA GLY A 24 77.739 24.895 25.146 1.00 1.00 C ATOM 364 C GLY A 24 79.166 24.582 24.839 1.00 1.00 C ATOM 365 O GLY A 24 80.019 24.468 25.719 1.00 1.00 O ATOM 0 H GLY A 24 77.558 26.019 26.862 1.00 1.00 H new ATOM 0 HA2 GLY A 24 77.107 24.098 24.754 1.00 1.00 H new ATOM 0 HA3 GLY A 24 77.456 25.811 24.627 1.00 1.00 H new ATOM 416 N VAL A 29 78.164 29.176 29.849 1.00 1.00 N ATOM 417 CA VAL A 29 77.455 28.363 30.796 1.00 1.00 C ATOM 418 C VAL A 29 76.498 29.168 31.620 1.00 1.00 C ATOM 419 O VAL A 29 76.833 30.230 32.144 1.00 1.00 O ATOM 420 CB VAL A 29 78.419 27.559 31.632 1.00 1.00 C ATOM 421 CG1 VAL A 29 79.408 28.447 32.408 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.683 26.592 32.578 1.00 1.00 C ATOM 0 HA VAL A 29 76.840 27.653 30.243 1.00 1.00 H new ATOM 0 HB VAL A 29 79.006 26.962 30.934 1.00 1.00 H new ATOM 0 HG11 VAL A 29 80.079 27.819 32.993 1.00 1.00 H new ATOM 0 HG12 VAL A 29 79.990 29.043 31.705 1.00 1.00 H new ATOM 0 HG13 VAL A 29 78.856 29.109 33.076 1.00 1.00 H new ATOM 0 HG21 VAL A 29 78.411 26.031 33.163 1.00 1.00 H new ATOM 0 HG22 VAL A 29 77.038 27.160 33.249 1.00 1.00 H new ATOM 0 HG23 VAL A 29 77.078 25.900 31.992 1.00 1.00 H new ATOM 432 N VAL A 30 75.243 28.702 31.757 1.00 1.00 N ATOM 433 CA VAL A 30 74.244 29.324 32.582 1.00 1.00 C ATOM 434 C VAL A 30 73.624 28.305 33.489 1.00 1.00 C ATOM 435 O VAL A 30 73.408 27.163 33.088 1.00 1.00 O ATOM 436 CB VAL A 30 73.252 30.130 31.782 1.00 1.00 C ATOM 437 CG1 VAL A 30 72.030 29.338 31.293 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.708 31.300 32.615 1.00 1.00 C ATOM 0 H VAL A 30 74.909 27.865 31.279 1.00 1.00 H new ATOM 0 HA VAL A 30 74.726 30.064 33.221 1.00 1.00 H new ATOM 0 HB VAL A 30 73.819 30.462 30.912 1.00 1.00 H new ATOM 0 HG11 VAL A 30 71.372 29.997 30.727 1.00 1.00 H new ATOM 0 HG12 VAL A 30 72.359 28.519 30.654 1.00 1.00 H new ATOM 0 HG13 VAL A 30 71.491 28.935 32.150 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.994 31.869 32.020 1.00 1.00 H new ATOM 0 HG22 VAL A 30 72.212 30.913 33.505 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.532 31.949 32.912 1.00 1.00 H new ATOM 448 N GLN A 31 73.373 28.643 34.769 1.00 1.00 N ATOM 449 CA GLN A 31 72.850 27.741 35.756 1.00 1.00 C ATOM 450 C GLN A 31 71.561 28.179 36.381 1.00 1.00 C ATOM 451 O GLN A 31 71.265 29.354 36.598 1.00 1.00 O ATOM 452 CB GLN A 31 73.916 27.421 36.822 1.00 1.00 C ATOM 453 CG GLN A 31 74.048 28.350 38.035 1.00 1.00 C ATOM 454 CD GLN A 31 73.350 27.813 39.279 1.00 1.00 C ATOM 455 OE1 GLN A 31 73.913 27.015 40.027 1.00 1.00 O ATOM 456 NE2 GLN A 31 72.096 28.266 39.539 1.00 1.00 N ATOM 0 H GLN A 31 73.541 29.581 35.132 1.00 1.00 H new ATOM 0 HA GLN A 31 72.600 26.828 35.216 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.718 26.416 37.195 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.884 27.391 36.322 1.00 1.00 H new ATOM 0 HG2 GLN A 31 75.105 28.502 38.256 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.631 29.326 37.785 1.00 1.00 H new ATOM 0 HE21 GLN A 31 71.651 28.928 38.903 1.00 1.00 H new ATOM 0 HE22 GLN A 31 71.600 27.945 40.370 1.00 1.00 H new ATOM 465 N PHE A 32 70.708 27.201 36.723 1.00 1.00 N ATOM 466 CA PHE A 32 69.318 27.393 37.002 1.00 1.00 C ATOM 467 C PHE A 32 68.981 26.607 38.233 1.00 1.00 C ATOM 468 O PHE A 32 69.547 25.540 38.467 1.00 1.00 O ATOM 469 CB PHE A 32 68.439 26.898 35.834 1.00 1.00 C ATOM 470 CG PHE A 32 69.012 26.967 34.455 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.966 26.047 34.060 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.493 27.816 33.495 1.00 1.00 C ATOM 473 CE1 PHE A 32 70.441 26.020 32.764 1.00 1.00 C ATOM 474 CE2 PHE A 32 68.936 27.779 32.186 1.00 1.00 C ATOM 475 CZ PHE A 32 69.912 26.874 31.815 1.00 1.00 C ATOM 0 H PHE A 32 71.000 26.228 36.810 1.00 1.00 H new ATOM 0 HA PHE A 32 69.126 28.456 37.144 1.00 1.00 H new ATOM 0 HB2 PHE A 32 68.169 25.861 36.033 1.00 1.00 H new ATOM 0 HB3 PHE A 32 67.514 27.475 35.842 1.00 1.00 H new ATOM 0 HD1 PHE A 32 70.347 25.336 34.779 1.00 1.00 H new ATOM 0 HD2 PHE A 32 67.725 28.523 33.774 1.00 1.00 H new ATOM 0 HE1 PHE A 32 71.227 25.331 32.492 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.520 28.456 31.455 1.00 1.00 H new ATOM 0 HZ PHE A 32 70.258 26.834 30.793 1.00 1.00 H new ATOM 485 N LYS A 33 68.050 27.086 39.079 1.00 1.00 N ATOM 486 CA LYS A 33 67.693 26.465 40.323 1.00 1.00 C ATOM 487 C LYS A 33 66.305 25.913 40.290 1.00 1.00 C ATOM 488 O LYS A 33 65.343 26.677 40.246 1.00 1.00 O ATOM 489 CB LYS A 33 67.625 27.583 41.380 1.00 1.00 C ATOM 490 CG LYS A 33 67.519 27.049 42.814 1.00 1.00 C ATOM 491 CD LYS A 33 67.719 28.104 43.907 1.00 1.00 C ATOM 492 CE LYS A 33 66.601 29.146 43.976 1.00 1.00 C ATOM 493 NZ LYS A 33 66.792 30.031 45.145 1.00 1.00 N ATOM 0 H LYS A 33 67.524 27.939 38.891 1.00 1.00 H new ATOM 0 HA LYS A 33 68.417 25.676 40.525 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.514 28.209 41.296 1.00 1.00 H new ATOM 0 HB3 LYS A 33 66.766 28.220 41.171 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.539 26.591 42.945 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.259 26.261 42.949 1.00 1.00 H new ATOM 0 HD2 LYS A 33 67.795 27.603 44.872 1.00 1.00 H new ATOM 0 HD3 LYS A 33 68.667 28.614 43.737 1.00 1.00 H new ATOM 0 HE2 LYS A 33 66.591 29.739 43.061 1.00 1.00 H new ATOM 0 HE3 LYS A 33 65.634 28.647 44.044 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 66.025 30.733 45.178 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 66.779 29.463 46.016 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 67.706 30.521 45.064 1.00 1.00 H new ATOM 507 N ILE A 34 66.120 24.586 40.403 1.00 1.00 N ATOM 508 CA ILE A 34 64.902 23.951 39.988 1.00 1.00 C ATOM 509 C ILE A 34 64.602 22.765 40.839 1.00 1.00 C ATOM 510 O ILE A 34 65.440 22.164 41.508 1.00 1.00 O ATOM 511 CB ILE A 34 64.836 23.633 38.516 1.00 1.00 C ATOM 512 CG1 ILE A 34 63.607 22.885 37.958 1.00 1.00 C ATOM 513 CG2 ILE A 34 66.148 22.955 38.083 1.00 1.00 C ATOM 514 CD1 ILE A 34 63.536 22.875 36.430 1.00 1.00 C ATOM 0 H ILE A 34 66.817 23.947 40.784 1.00 1.00 H new ATOM 0 HA ILE A 34 64.113 24.688 40.140 1.00 1.00 H new ATOM 0 HB ILE A 34 64.699 24.613 38.058 1.00 1.00 H new ATOM 0 HG12 ILE A 34 63.624 21.857 38.319 1.00 1.00 H new ATOM 0 HG13 ILE A 34 62.702 23.347 38.352 1.00 1.00 H new ATOM 0 HG21 ILE A 34 66.104 22.723 37.019 1.00 1.00 H new ATOM 0 HG22 ILE A 34 66.985 23.627 38.274 1.00 1.00 H new ATOM 0 HG23 ILE A 34 66.286 22.034 38.649 1.00 1.00 H new ATOM 0 HD11 ILE A 34 62.647 22.332 36.111 1.00 1.00 H new ATOM 0 HD12 ILE A 34 63.487 23.900 36.061 1.00 1.00 H new ATOM 0 HD13 ILE A 34 64.423 22.386 36.028 1.00 1.00 H new ATOM 526 N LYS A 35 63.294 22.475 40.876 1.00 1.00 N ATOM 527 CA LYS A 35 62.707 21.441 41.676 1.00 1.00 C ATOM 528 C LYS A 35 62.721 20.110 40.996 1.00 1.00 C ATOM 529 O LYS A 35 62.893 19.985 39.785 1.00 1.00 O ATOM 530 CB LYS A 35 61.301 21.779 42.199 1.00 1.00 C ATOM 531 CG LYS A 35 61.214 23.189 42.793 1.00 1.00 C ATOM 532 CD LYS A 35 60.595 24.189 41.812 1.00 1.00 C ATOM 533 CE LYS A 35 59.094 23.929 41.659 1.00 1.00 C ATOM 534 NZ LYS A 35 58.324 24.566 42.749 1.00 1.00 N ATOM 0 H LYS A 35 62.607 22.985 40.321 1.00 1.00 H new ATOM 0 HA LYS A 35 63.352 21.375 42.552 1.00 1.00 H new ATOM 0 HB2 LYS A 35 60.583 21.688 41.384 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.016 21.051 42.958 1.00 1.00 H new ATOM 0 HG2 LYS A 35 60.619 23.161 43.706 1.00 1.00 H new ATOM 0 HG3 LYS A 35 62.212 23.526 43.073 1.00 1.00 H new ATOM 0 HD2 LYS A 35 60.760 25.206 42.168 1.00 1.00 H new ATOM 0 HD3 LYS A 35 61.085 24.107 40.842 1.00 1.00 H new ATOM 0 HE2 LYS A 35 58.753 24.313 40.698 1.00 1.00 H new ATOM 0 HE3 LYS A 35 58.907 22.855 41.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 57.311 24.372 42.618 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 58.634 24.181 43.664 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 58.485 25.593 42.733 1.00 1.00 H new ATOM 548 N ARG A 36 62.609 19.044 41.806 1.00 1.00 N ATOM 549 CA ARG A 36 62.990 17.719 41.403 1.00 1.00 C ATOM 550 C ARG A 36 62.098 17.062 40.397 1.00 1.00 C ATOM 551 O ARG A 36 62.553 16.374 39.485 1.00 1.00 O ATOM 552 CB ARG A 36 63.271 16.819 42.623 1.00 1.00 C ATOM 553 CG ARG A 36 64.365 15.776 42.360 1.00 1.00 C ATOM 554 CD ARG A 36 64.837 15.038 43.617 1.00 1.00 C ATOM 555 NE ARG A 36 66.085 14.294 43.279 1.00 1.00 N ATOM 556 CZ ARG A 36 66.174 12.961 43.038 1.00 1.00 C ATOM 557 NH1 ARG A 36 65.089 12.166 42.887 1.00 1.00 N ATOM 558 NH2 ARG A 36 67.403 12.395 42.959 1.00 1.00 N ATOM 0 H ARG A 36 62.248 19.098 42.758 1.00 1.00 H new ATOM 0 HA ARG A 36 63.922 17.857 40.855 1.00 1.00 H new ATOM 0 HB2 ARG A 36 63.567 17.442 43.467 1.00 1.00 H new ATOM 0 HB3 ARG A 36 62.352 16.309 42.910 1.00 1.00 H new ATOM 0 HG2 ARG A 36 63.992 15.046 41.641 1.00 1.00 H new ATOM 0 HG3 ARG A 36 65.220 16.270 41.898 1.00 1.00 H new ATOM 0 HD2 ARG A 36 65.023 15.745 44.426 1.00 1.00 H new ATOM 0 HD3 ARG A 36 64.067 14.350 43.966 1.00 1.00 H new ATOM 0 HE ARG A 36 66.948 14.835 43.224 1.00 1.00 H new ATOM 0 HH11 ARG A 36 64.152 12.564 42.953 1.00 1.00 H new ATOM 0 HH12 ARG A 36 65.208 11.169 42.707 1.00 1.00 H new ATOM 0 HH21 ARG A 36 68.238 12.969 43.080 1.00 1.00 H new ATOM 0 HH22 ARG A 36 67.493 11.395 42.779 1.00 1.00 H new ATOM 572 N HIS A 37 60.773 17.269 40.508 1.00 1.00 N ATOM 573 CA HIS A 37 59.804 16.683 39.627 1.00 1.00 C ATOM 574 C HIS A 37 59.481 17.536 38.440 1.00 1.00 C ATOM 575 O HIS A 37 58.897 17.056 37.469 1.00 1.00 O ATOM 576 CB HIS A 37 58.491 16.400 40.381 1.00 1.00 C ATOM 577 CG HIS A 37 58.679 15.483 41.554 1.00 1.00 C ATOM 578 ND1 HIS A 37 59.015 14.163 41.414 1.00 1.00 N ATOM 579 CD2 HIS A 37 58.532 15.709 42.885 1.00 1.00 C ATOM 580 CE1 HIS A 37 59.069 13.599 42.608 1.00 1.00 C ATOM 581 NE2 HIS A 37 58.778 14.516 43.513 1.00 1.00 N ATOM 0 H HIS A 37 60.362 17.860 41.230 1.00 1.00 H new ATOM 0 HA HIS A 37 60.260 15.761 39.267 1.00 1.00 H new ATOM 0 HB2 HIS A 37 58.066 17.342 40.727 1.00 1.00 H new ATOM 0 HB3 HIS A 37 57.770 15.959 39.693 1.00 1.00 H new ATOM 0 HD2 HIS A 37 58.272 16.645 43.356 1.00 1.00 H new ATOM 0 HE1 HIS A 37 59.310 12.566 42.809 1.00 1.00 H new ATOM 0 HE2 HIS A 37 58.742 14.361 44.520 1.00 1.00 H new ATOM 590 N THR A 38 59.821 18.838 38.469 1.00 1.00 N ATOM 591 CA THR A 38 59.613 19.775 37.400 1.00 1.00 C ATOM 592 C THR A 38 60.387 19.421 36.166 1.00 1.00 C ATOM 593 O THR A 38 61.540 19.014 36.309 1.00 1.00 O ATOM 594 CB THR A 38 59.965 21.175 37.827 1.00 1.00 C ATOM 595 OG1 THR A 38 59.213 21.535 38.976 1.00 1.00 O ATOM 596 CG2 THR A 38 59.625 22.257 36.789 1.00 1.00 C ATOM 0 H THR A 38 60.266 19.263 39.283 1.00 1.00 H new ATOM 0 HA THR A 38 58.551 19.726 37.157 1.00 1.00 H new ATOM 0 HB THR A 38 61.042 21.145 37.990 1.00 1.00 H new ATOM 0 HG1 THR A 38 59.449 22.446 39.249 1.00 1.00 H new ATOM 0 HG21 THR A 38 59.911 23.235 37.176 1.00 1.00 H new ATOM 0 HG22 THR A 38 60.169 22.059 35.866 1.00 1.00 H new ATOM 0 HG23 THR A 38 58.554 22.245 36.588 1.00 1.00 H new ATOM 604 N PRO A 39 59.907 19.504 34.952 1.00 1.00 N ATOM 605 CA PRO A 39 60.670 19.111 33.796 1.00 1.00 C ATOM 606 C PRO A 39 61.885 19.931 33.493 1.00 1.00 C ATOM 607 O PRO A 39 61.985 21.110 33.831 1.00 1.00 O ATOM 608 CB PRO A 39 59.678 19.167 32.632 1.00 1.00 C ATOM 609 CG PRO A 39 58.608 20.158 33.109 1.00 1.00 C ATOM 610 CD PRO A 39 58.526 19.814 34.601 1.00 1.00 C ATOM 0 HA PRO A 39 61.092 18.123 33.980 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.157 19.507 31.714 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.250 18.186 32.424 1.00 1.00 H new ATOM 0 HG2 PRO A 39 58.903 21.194 32.941 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.655 20.011 32.600 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.141 20.649 35.185 1.00 1.00 H new ATOM 0 HD3 PRO A 39 57.865 18.966 34.782 1.00 1.00 H new ATOM 618 N LEU A 40 62.833 19.307 32.770 1.00 1.00 N ATOM 619 CA LEU A 40 64.017 19.905 32.226 1.00 1.00 C ATOM 620 C LEU A 40 63.749 20.999 31.241 1.00 1.00 C ATOM 621 O LEU A 40 64.543 21.916 31.042 1.00 1.00 O ATOM 622 CB LEU A 40 65.150 18.927 31.877 1.00 1.00 C ATOM 623 CG LEU A 40 65.022 18.120 30.576 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.753 18.795 29.406 1.00 1.00 C ATOM 625 CD2 LEU A 40 65.619 16.730 30.845 1.00 1.00 C ATOM 0 H LEU A 40 62.768 18.313 32.550 1.00 1.00 H new ATOM 0 HA LEU A 40 64.461 20.440 33.065 1.00 1.00 H new ATOM 0 HB2 LEU A 40 66.080 19.494 31.830 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.249 18.221 32.701 1.00 1.00 H new ATOM 0 HG LEU A 40 63.973 18.053 30.288 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.636 18.190 28.507 1.00 1.00 H new ATOM 0 HD12 LEU A 40 65.330 19.785 29.235 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.812 18.889 29.645 1.00 1.00 H new ATOM 0 HD21 LEU A 40 65.548 16.123 29.943 1.00 1.00 H new ATOM 0 HD22 LEU A 40 66.666 16.833 31.131 1.00 1.00 H new ATOM 0 HD23 LEU A 40 65.068 16.247 31.652 1.00 1.00 H new ATOM 637 N SER A 41 62.578 20.969 30.579 1.00 1.00 N ATOM 638 CA SER A 41 62.097 22.044 29.759 1.00 1.00 C ATOM 639 C SER A 41 62.070 23.385 30.429 1.00 1.00 C ATOM 640 O SER A 41 62.200 24.400 29.748 1.00 1.00 O ATOM 641 CB SER A 41 60.707 21.758 29.155 1.00 1.00 C ATOM 642 OG SER A 41 59.685 21.681 30.140 1.00 1.00 O ATOM 0 H SER A 41 61.943 20.171 30.614 1.00 1.00 H new ATOM 0 HA SER A 41 62.839 22.095 28.963 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.458 22.542 28.440 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.743 20.820 28.600 1.00 1.00 H new ATOM 0 HG SER A 41 58.825 21.500 29.706 1.00 1.00 H new ATOM 648 N LYS A 42 61.900 23.497 31.762 1.00 1.00 N ATOM 649 CA LYS A 42 61.765 24.769 32.409 1.00 1.00 C ATOM 650 C LYS A 42 63.032 25.568 32.385 1.00 1.00 C ATOM 651 O LYS A 42 63.048 26.759 32.081 1.00 1.00 O ATOM 652 CB LYS A 42 61.293 24.531 33.854 1.00 1.00 C ATOM 653 CG LYS A 42 61.043 25.781 34.704 1.00 1.00 C ATOM 654 CD LYS A 42 59.890 26.677 34.235 1.00 1.00 C ATOM 655 CE LYS A 42 60.309 27.939 33.473 1.00 1.00 C ATOM 656 NZ LYS A 42 59.121 28.737 33.100 1.00 1.00 N ATOM 0 H LYS A 42 61.856 22.699 32.396 1.00 1.00 H new ATOM 0 HA LYS A 42 61.030 25.359 31.862 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.371 23.950 33.821 1.00 1.00 H new ATOM 0 HB3 LYS A 42 62.038 23.917 34.360 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.844 25.468 35.729 1.00 1.00 H new ATOM 0 HG3 LYS A 42 61.957 26.375 34.724 1.00 1.00 H new ATOM 0 HD2 LYS A 42 59.231 26.089 33.596 1.00 1.00 H new ATOM 0 HD3 LYS A 42 59.306 26.975 35.106 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.978 28.539 34.090 1.00 1.00 H new ATOM 0 HE3 LYS A 42 60.865 27.662 32.577 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 59.423 29.588 32.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 58.497 28.168 32.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 58.607 29.017 33.960 1.00 1.00 H new ATOM 670 N LEU A 43 64.181 24.916 32.642 1.00 1.00 N ATOM 671 CA LEU A 43 65.469 25.518 32.449 1.00 1.00 C ATOM 672 C LEU A 43 65.776 25.807 31.012 1.00 1.00 C ATOM 673 O LEU A 43 66.379 26.828 30.689 1.00 1.00 O ATOM 674 CB LEU A 43 66.623 24.745 33.115 1.00 1.00 C ATOM 675 CG LEU A 43 66.844 23.298 32.644 1.00 1.00 C ATOM 676 CD1 LEU A 43 68.322 23.018 32.329 1.00 1.00 C ATOM 677 CD2 LEU A 43 66.255 22.286 33.640 1.00 1.00 C ATOM 0 H LEU A 43 64.219 23.957 32.989 1.00 1.00 H new ATOM 0 HA LEU A 43 65.395 26.475 32.965 1.00 1.00 H new ATOM 0 HB2 LEU A 43 67.546 25.302 32.950 1.00 1.00 H new ATOM 0 HB3 LEU A 43 66.447 24.730 34.191 1.00 1.00 H new ATOM 0 HG LEU A 43 66.301 23.172 31.708 1.00 1.00 H new ATOM 0 HD11 LEU A 43 68.434 21.985 32.000 1.00 1.00 H new ATOM 0 HD12 LEU A 43 68.659 23.689 31.539 1.00 1.00 H new ATOM 0 HD13 LEU A 43 68.922 23.181 33.224 1.00 1.00 H new ATOM 0 HD21 LEU A 43 66.429 21.274 33.276 1.00 1.00 H new ATOM 0 HD22 LEU A 43 66.735 22.410 34.611 1.00 1.00 H new ATOM 0 HD23 LEU A 43 65.183 22.456 33.741 1.00 1.00 H new ATOM 689 N MET A 44 65.336 24.954 30.069 1.00 1.00 N ATOM 690 CA MET A 44 65.448 25.203 28.660 1.00 1.00 C ATOM 691 C MET A 44 64.720 26.420 28.177 1.00 1.00 C ATOM 692 O MET A 44 65.241 27.214 27.395 1.00 1.00 O ATOM 693 CB MET A 44 64.989 23.964 27.869 1.00 1.00 C ATOM 694 CG MET A 44 65.469 23.934 26.415 1.00 1.00 C ATOM 695 SD MET A 44 65.069 22.366 25.590 1.00 1.00 S ATOM 696 CE MET A 44 66.339 22.565 24.310 1.00 1.00 C ATOM 0 H MET A 44 64.889 24.064 30.291 1.00 1.00 H new ATOM 0 HA MET A 44 66.504 25.406 28.482 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.348 23.069 28.377 1.00 1.00 H new ATOM 0 HB3 MET A 44 63.900 23.922 27.881 1.00 1.00 H new ATOM 0 HG2 MET A 44 65.012 24.758 25.867 1.00 1.00 H new ATOM 0 HG3 MET A 44 66.547 24.092 26.387 1.00 1.00 H new ATOM 0 HE1 MET A 44 66.223 21.784 23.558 1.00 1.00 H new ATOM 0 HE2 MET A 44 66.230 23.542 23.838 1.00 1.00 H new ATOM 0 HE3 MET A 44 67.327 22.489 24.763 1.00 1.00 H new ATOM 706 N LYS A 45 63.492 26.653 28.675 1.00 1.00 N ATOM 707 CA LYS A 45 62.708 27.835 28.455 1.00 1.00 C ATOM 708 C LYS A 45 63.380 29.062 28.992 1.00 1.00 C ATOM 709 O LYS A 45 63.473 30.098 28.335 1.00 1.00 O ATOM 710 CB LYS A 45 61.327 27.604 29.099 1.00 1.00 C ATOM 711 CG LYS A 45 60.114 28.246 28.417 1.00 1.00 C ATOM 712 CD LYS A 45 59.852 29.721 28.737 1.00 1.00 C ATOM 713 CE LYS A 45 60.178 30.666 27.579 1.00 1.00 C ATOM 714 NZ LYS A 45 59.619 32.006 27.855 1.00 1.00 N ATOM 0 H LYS A 45 63.015 25.975 29.269 1.00 1.00 H new ATOM 0 HA LYS A 45 62.595 28.013 27.386 1.00 1.00 H new ATOM 0 HB2 LYS A 45 61.155 26.529 29.150 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.369 27.969 30.125 1.00 1.00 H new ATOM 0 HG2 LYS A 45 60.237 28.147 27.338 1.00 1.00 H new ATOM 0 HG3 LYS A 45 59.227 27.675 28.690 1.00 1.00 H new ATOM 0 HD2 LYS A 45 58.804 29.844 29.012 1.00 1.00 H new ATOM 0 HD3 LYS A 45 60.445 30.007 29.606 1.00 1.00 H new ATOM 0 HE2 LYS A 45 61.258 30.733 27.445 1.00 1.00 H new ATOM 0 HE3 LYS A 45 59.765 30.274 26.650 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 60.022 32.694 27.187 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 58.585 31.980 27.744 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 59.856 32.288 28.828 1.00 1.00 H new ATOM 728 N ALA A 46 63.957 28.961 30.202 1.00 1.00 N ATOM 729 CA ALA A 46 64.737 29.985 30.836 1.00 1.00 C ATOM 730 C ALA A 46 66.022 30.323 30.140 1.00 1.00 C ATOM 731 O ALA A 46 66.435 31.480 30.097 1.00 1.00 O ATOM 732 CB ALA A 46 65.008 29.598 32.299 1.00 1.00 C ATOM 0 H ALA A 46 63.876 28.119 30.772 1.00 1.00 H new ATOM 0 HA ALA A 46 64.137 30.893 30.780 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.601 30.378 32.778 1.00 1.00 H new ATOM 0 HB2 ALA A 46 64.061 29.486 32.827 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.555 28.656 32.331 1.00 1.00 H new ATOM 738 N TYR A 47 66.713 29.338 29.537 1.00 1.00 N ATOM 739 CA TYR A 47 67.888 29.499 28.726 1.00 1.00 C ATOM 740 C TYR A 47 67.623 30.368 27.535 1.00 1.00 C ATOM 741 O TYR A 47 68.374 31.294 27.231 1.00 1.00 O ATOM 742 CB TYR A 47 68.358 28.090 28.302 1.00 1.00 C ATOM 743 CG TYR A 47 69.677 27.954 27.612 1.00 1.00 C ATOM 744 CD1 TYR A 47 70.800 28.679 27.974 1.00 1.00 C ATOM 745 CD2 TYR A 47 69.805 26.981 26.636 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.030 28.423 27.392 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.029 26.722 26.046 1.00 1.00 C ATOM 748 CZ TYR A 47 72.146 27.439 26.429 1.00 1.00 C ATOM 749 OH TYR A 47 73.371 27.164 25.785 1.00 1.00 O ATOM 0 H TYR A 47 66.433 28.361 29.621 1.00 1.00 H new ATOM 0 HA TYR A 47 68.669 30.001 29.297 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.386 27.467 29.196 1.00 1.00 H new ATOM 0 HB3 TYR A 47 67.596 27.670 27.645 1.00 1.00 H new ATOM 0 HD1 TYR A 47 70.715 29.455 28.721 1.00 1.00 H new ATOM 0 HD2 TYR A 47 68.937 26.416 26.331 1.00 1.00 H new ATOM 0 HE1 TYR A 47 72.898 28.992 27.691 1.00 1.00 H new ATOM 0 HE2 TYR A 47 71.111 25.959 25.286 1.00 1.00 H new ATOM 0 HH TYR A 47 74.113 27.367 26.393 1.00 1.00 H new ATOM 759 N CYS A 48 66.476 30.151 26.867 1.00 1.00 N ATOM 760 CA CYS A 48 65.957 30.984 25.820 1.00 1.00 C ATOM 761 C CYS A 48 65.677 32.394 26.240 1.00 1.00 C ATOM 762 O CYS A 48 66.028 33.330 25.524 1.00 1.00 O ATOM 763 CB CYS A 48 64.677 30.385 25.206 1.00 1.00 C ATOM 764 SG CYS A 48 64.928 28.697 24.577 1.00 1.00 S ATOM 0 H CYS A 48 65.876 29.351 27.067 1.00 1.00 H new ATOM 0 HA CYS A 48 66.754 31.018 25.077 1.00 1.00 H new ATOM 0 HB2 CYS A 48 63.888 30.375 25.958 1.00 1.00 H new ATOM 0 HB3 CYS A 48 64.335 31.025 24.393 1.00 1.00 H new ATOM 0 HG CYS A 48 65.087 27.881 25.576 1.00 1.00 H new ATOM 770 N GLU A 49 65.069 32.623 27.419 1.00 1.00 N ATOM 771 CA GLU A 49 64.866 33.942 27.949 1.00 1.00 C ATOM 772 C GLU A 49 66.117 34.669 28.332 1.00 1.00 C ATOM 773 O GLU A 49 66.342 35.804 27.913 1.00 1.00 O ATOM 774 CB GLU A 49 63.987 33.907 29.216 1.00 1.00 C ATOM 775 CG GLU A 49 62.555 33.413 28.978 1.00 1.00 C ATOM 776 CD GLU A 49 61.711 33.407 30.244 1.00 1.00 C ATOM 777 OE1 GLU A 49 62.137 33.965 31.290 1.00 1.00 O ATOM 778 OE2 GLU A 49 60.588 32.838 30.200 1.00 1.00 O ATOM 0 H GLU A 49 64.710 31.879 28.018 1.00 1.00 H new ATOM 0 HA GLU A 49 64.391 34.473 27.124 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.462 33.263 29.956 1.00 1.00 H new ATOM 0 HB3 GLU A 49 63.947 34.909 29.644 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.077 34.048 28.232 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.588 32.405 28.565 1.00 1.00 H new ATOM 785 N ARG A 50 66.995 34.047 29.139 1.00 1.00 N ATOM 786 CA ARG A 50 68.146 34.693 29.704 1.00 1.00 C ATOM 787 C ARG A 50 69.251 34.922 28.722 1.00 1.00 C ATOM 788 O ARG A 50 69.886 35.975 28.701 1.00 1.00 O ATOM 789 CB ARG A 50 68.677 33.937 30.939 1.00 1.00 C ATOM 790 CG ARG A 50 68.869 34.829 32.171 1.00 1.00 C ATOM 791 CD ARG A 50 70.342 34.983 32.555 1.00 1.00 C ATOM 792 NE ARG A 50 70.958 36.011 31.669 1.00 1.00 N ATOM 793 CZ ARG A 50 70.867 37.345 31.896 1.00 1.00 C ATOM 794 NH1 ARG A 50 70.254 37.857 32.990 1.00 1.00 N ATOM 795 NH2 ARG A 50 71.413 38.229 31.025 1.00 1.00 N ATOM 0 H ARG A 50 66.905 33.067 29.408 1.00 1.00 H new ATOM 0 HA ARG A 50 67.794 35.677 30.015 1.00 1.00 H new ATOM 0 HB2 ARG A 50 67.984 33.133 31.188 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.629 33.471 30.687 1.00 1.00 H new ATOM 0 HG2 ARG A 50 68.443 35.813 31.974 1.00 1.00 H new ATOM 0 HG3 ARG A 50 68.319 34.406 33.012 1.00 1.00 H new ATOM 0 HD2 ARG A 50 70.432 35.281 33.600 1.00 1.00 H new ATOM 0 HD3 ARG A 50 70.862 34.031 32.449 1.00 1.00 H new ATOM 0 HE ARG A 50 71.475 35.695 30.849 1.00 1.00 H new ATOM 0 HH11 ARG A 50 69.839 37.232 33.681 1.00 1.00 H new ATOM 0 HH12 ARG A 50 70.208 38.867 33.123 1.00 1.00 H new ATOM 0 HH21 ARG A 50 71.896 37.892 30.192 1.00 1.00 H new ATOM 0 HH22 ARG A 50 71.340 39.231 31.202 1.00 1.00 H new ATOM 809 N GLN A 51 69.520 33.913 27.872 1.00 1.00 N ATOM 810 CA GLN A 51 70.672 33.881 27.019 1.00 1.00 C ATOM 811 C GLN A 51 70.329 33.999 25.565 1.00 1.00 C ATOM 812 O GLN A 51 71.214 34.050 24.711 1.00 1.00 O ATOM 813 CB GLN A 51 71.455 32.590 27.330 1.00 1.00 C ATOM 814 CG GLN A 51 72.085 32.525 28.730 1.00 1.00 C ATOM 815 CD GLN A 51 72.952 33.722 29.101 1.00 1.00 C ATOM 816 OE1 GLN A 51 72.748 34.361 30.134 1.00 1.00 O ATOM 817 NE2 GLN A 51 73.967 34.034 28.255 1.00 1.00 N ATOM 0 H GLN A 51 68.919 33.095 27.774 1.00 1.00 H new ATOM 0 HA GLN A 51 71.293 34.753 27.225 1.00 1.00 H new ATOM 0 HB2 GLN A 51 70.783 31.740 27.212 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.246 32.477 26.588 1.00 1.00 H new ATOM 0 HG2 GLN A 51 71.288 32.430 29.467 1.00 1.00 H new ATOM 0 HG3 GLN A 51 72.691 31.621 28.798 1.00 1.00 H new ATOM 0 HE21 GLN A 51 74.111 33.486 27.407 1.00 1.00 H new ATOM 0 HE22 GLN A 51 74.586 34.816 28.468 1.00 1.00 H new ATOM 826 N GLY A 52 69.036 34.128 25.211 1.00 1.00 N ATOM 827 CA GLY A 52 68.600 34.581 23.919 1.00 1.00 C ATOM 828 C GLY A 52 68.690 33.627 22.771 1.00 1.00 C ATOM 829 O GLY A 52 69.076 34.024 21.671 1.00 1.00 O ATOM 0 H GLY A 52 68.266 33.910 25.844 1.00 1.00 H new ATOM 0 HA2 GLY A 52 67.561 34.897 24.010 1.00 1.00 H new ATOM 0 HA3 GLY A 52 69.181 35.467 23.663 1.00 1.00 H new ATOM 833 N LEU A 53 68.337 32.345 22.978 1.00 1.00 N ATOM 834 CA LEU A 53 68.523 31.272 22.042 1.00 1.00 C ATOM 835 C LEU A 53 67.218 30.620 21.698 1.00 1.00 C ATOM 836 O LEU A 53 66.206 30.882 22.344 1.00 1.00 O ATOM 837 CB LEU A 53 69.440 30.174 22.616 1.00 1.00 C ATOM 838 CG LEU A 53 70.665 30.670 23.405 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.467 29.468 23.923 1.00 1.00 C ATOM 840 CD2 LEU A 53 71.617 31.557 22.585 1.00 1.00 C ATOM 0 H LEU A 53 67.897 32.038 23.846 1.00 1.00 H new ATOM 0 HA LEU A 53 68.975 31.718 21.156 1.00 1.00 H new ATOM 0 HB2 LEU A 53 68.845 29.535 23.269 1.00 1.00 H new ATOM 0 HB3 LEU A 53 69.789 29.551 21.792 1.00 1.00 H new ATOM 0 HG LEU A 53 70.268 31.277 24.219 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.334 29.822 24.481 1.00 1.00 H new ATOM 0 HD12 LEU A 53 70.837 28.864 24.576 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.801 28.863 23.080 1.00 1.00 H new ATOM 0 HD21 LEU A 53 72.455 31.866 23.210 1.00 1.00 H new ATOM 0 HD22 LEU A 53 71.991 30.995 21.729 1.00 1.00 H new ATOM 0 HD23 LEU A 53 71.081 32.439 22.234 1.00 1.00 H new ATOM 852 N SER A 54 67.164 29.763 20.661 1.00 1.00 N ATOM 853 CA SER A 54 65.980 29.035 20.300 1.00 1.00 C ATOM 854 C SER A 54 66.015 27.607 20.746 1.00 1.00 C ATOM 855 O SER A 54 66.979 26.886 20.494 1.00 1.00 O ATOM 856 CB SER A 54 65.784 29.032 18.773 1.00 1.00 C ATOM 857 OG SER A 54 64.556 28.440 18.368 1.00 1.00 O ATOM 0 H SER A 54 67.963 29.570 20.057 1.00 1.00 H new ATOM 0 HA SER A 54 65.160 29.546 20.804 1.00 1.00 H new ATOM 0 HB2 SER A 54 65.824 30.057 18.406 1.00 1.00 H new ATOM 0 HB3 SER A 54 66.610 28.494 18.308 1.00 1.00 H new ATOM 0 HG SER A 54 64.486 28.468 17.391 1.00 1.00 H new ATOM 863 N MET A 55 64.929 27.105 21.365 1.00 1.00 N ATOM 864 CA MET A 55 64.832 25.753 21.839 1.00 1.00 C ATOM 865 C MET A 55 64.824 24.698 20.775 1.00 1.00 C ATOM 866 O MET A 55 65.091 23.531 21.054 1.00 1.00 O ATOM 867 CB MET A 55 63.674 25.531 22.830 1.00 1.00 C ATOM 868 CG MET A 55 62.260 25.718 22.267 1.00 1.00 C ATOM 869 SD MET A 55 60.935 25.282 23.435 1.00 1.00 S ATOM 870 CE MET A 55 61.215 26.594 24.660 1.00 1.00 C ATOM 0 H MET A 55 64.090 27.657 21.542 1.00 1.00 H new ATOM 0 HA MET A 55 65.770 25.626 22.379 1.00 1.00 H new ATOM 0 HB2 MET A 55 63.753 24.520 23.230 1.00 1.00 H new ATOM 0 HB3 MET A 55 63.803 26.216 23.668 1.00 1.00 H new ATOM 0 HG2 MET A 55 62.135 26.757 21.964 1.00 1.00 H new ATOM 0 HG3 MET A 55 62.154 25.109 21.369 1.00 1.00 H new ATOM 0 HE1 MET A 55 60.349 26.668 25.318 1.00 1.00 H new ATOM 0 HE2 MET A 55 62.100 26.358 25.250 1.00 1.00 H new ATOM 0 HE3 MET A 55 61.363 27.545 24.148 1.00 1.00 H new ATOM 880 N ARG A 56 64.527 25.050 19.509 1.00 1.00 N ATOM 881 CA ARG A 56 64.621 24.137 18.406 1.00 1.00 C ATOM 882 C ARG A 56 65.912 24.254 17.656 1.00 1.00 C ATOM 883 O ARG A 56 66.148 23.528 16.692 1.00 1.00 O ATOM 884 CB ARG A 56 63.432 24.300 17.438 1.00 1.00 C ATOM 885 CG ARG A 56 63.280 25.690 16.811 1.00 1.00 C ATOM 886 CD ARG A 56 61.994 25.897 16.004 1.00 1.00 C ATOM 887 NE ARG A 56 62.087 25.074 14.763 1.00 1.00 N ATOM 888 CZ ARG A 56 61.186 25.150 13.751 1.00 1.00 C ATOM 889 NH1 ARG A 56 59.987 25.763 13.899 1.00 1.00 N ATOM 890 NH2 ARG A 56 61.460 24.587 12.550 1.00 1.00 N ATOM 0 H ARG A 56 64.216 25.985 19.245 1.00 1.00 H new ATOM 0 HA ARG A 56 64.590 23.139 18.844 1.00 1.00 H new ATOM 0 HB2 ARG A 56 63.535 23.568 16.637 1.00 1.00 H new ATOM 0 HB3 ARG A 56 62.514 24.059 17.974 1.00 1.00 H new ATOM 0 HG2 ARG A 56 63.318 26.436 17.604 1.00 1.00 H new ATOM 0 HG3 ARG A 56 64.134 25.874 16.159 1.00 1.00 H new ATOM 0 HD2 ARG A 56 61.125 25.602 16.592 1.00 1.00 H new ATOM 0 HD3 ARG A 56 61.867 26.950 15.753 1.00 1.00 H new ATOM 0 HE ARG A 56 62.866 24.422 14.671 1.00 1.00 H new ATOM 0 HH11 ARG A 56 59.737 26.186 14.793 1.00 1.00 H new ATOM 0 HH12 ARG A 56 59.334 25.801 13.117 1.00 1.00 H new ATOM 0 HH21 ARG A 56 62.346 24.104 12.404 1.00 1.00 H new ATOM 0 HH22 ARG A 56 60.780 24.646 11.792 1.00 1.00 H new ATOM 904 N GLN A 57 66.841 25.133 18.072 1.00 1.00 N ATOM 905 CA GLN A 57 68.122 25.267 17.438 1.00 1.00 C ATOM 906 C GLN A 57 69.228 24.766 18.311 1.00 1.00 C ATOM 907 O GLN A 57 70.197 24.194 17.812 1.00 1.00 O ATOM 908 CB GLN A 57 68.359 26.744 17.072 1.00 1.00 C ATOM 909 CG GLN A 57 67.397 27.289 16.005 1.00 1.00 C ATOM 910 CD GLN A 57 67.531 26.706 14.602 1.00 1.00 C ATOM 911 OE1 GLN A 57 68.055 27.337 13.684 1.00 1.00 O ATOM 912 NE2 GLN A 57 66.985 25.482 14.379 1.00 1.00 N ATOM 0 H GLN A 57 66.703 25.763 18.862 1.00 1.00 H new ATOM 0 HA GLN A 57 68.121 24.658 16.534 1.00 1.00 H new ATOM 0 HB2 GLN A 57 68.266 27.350 17.973 1.00 1.00 H new ATOM 0 HB3 GLN A 57 69.383 26.859 16.715 1.00 1.00 H new ATOM 0 HG2 GLN A 57 66.376 27.119 16.348 1.00 1.00 H new ATOM 0 HG3 GLN A 57 67.536 28.368 15.940 1.00 1.00 H new ATOM 0 HE21 GLN A 57 66.554 24.968 15.147 1.00 1.00 H new ATOM 0 HE22 GLN A 57 67.007 25.077 13.443 1.00 1.00 H new ATOM 921 N ILE A 58 69.087 24.882 19.644 1.00 1.00 N ATOM 922 CA ILE A 58 69.987 24.266 20.579 1.00 1.00 C ATOM 923 C ILE A 58 69.276 23.227 21.391 1.00 1.00 C ATOM 924 O ILE A 58 68.141 23.415 21.823 1.00 1.00 O ATOM 925 CB ILE A 58 70.760 25.237 21.435 1.00 1.00 C ATOM 926 CG1 ILE A 58 69.975 26.448 21.977 1.00 1.00 C ATOM 927 CG2 ILE A 58 71.942 25.746 20.589 1.00 1.00 C ATOM 928 CD1 ILE A 58 68.937 26.149 23.059 1.00 1.00 C ATOM 0 H ILE A 58 68.335 25.413 20.084 1.00 1.00 H new ATOM 0 HA ILE A 58 70.753 23.772 19.981 1.00 1.00 H new ATOM 0 HB ILE A 58 71.057 24.687 22.328 1.00 1.00 H new ATOM 0 HG12 ILE A 58 70.689 27.168 22.377 1.00 1.00 H new ATOM 0 HG13 ILE A 58 69.469 26.931 21.141 1.00 1.00 H new ATOM 0 HG21 ILE A 58 72.529 26.454 21.173 1.00 1.00 H new ATOM 0 HG22 ILE A 58 72.571 24.904 20.299 1.00 1.00 H new ATOM 0 HG23 ILE A 58 71.563 26.240 19.695 1.00 1.00 H new ATOM 0 HD11 ILE A 58 68.450 27.076 23.362 1.00 1.00 H new ATOM 0 HD12 ILE A 58 68.191 25.458 22.666 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.429 25.699 23.921 1.00 1.00 H new ATOM 940 N ARG A 59 69.884 22.040 21.581 1.00 1.00 N ATOM 941 CA ARG A 59 69.233 20.914 22.189 1.00 1.00 C ATOM 942 C ARG A 59 70.097 20.287 23.239 1.00 1.00 C ATOM 943 O ARG A 59 71.319 20.423 23.227 1.00 1.00 O ATOM 944 CB ARG A 59 68.879 19.859 21.123 1.00 1.00 C ATOM 945 CG ARG A 59 67.947 20.356 20.008 1.00 1.00 C ATOM 946 CD ARG A 59 66.568 20.881 20.425 1.00 1.00 C ATOM 947 NE ARG A 59 65.697 19.739 20.825 1.00 1.00 N ATOM 948 CZ ARG A 59 64.539 19.894 21.517 1.00 1.00 C ATOM 949 NH1 ARG A 59 64.119 21.090 21.997 1.00 1.00 N ATOM 950 NH2 ARG A 59 63.749 18.814 21.727 1.00 1.00 N ATOM 0 H ARG A 59 70.849 21.857 21.307 1.00 1.00 H new ATOM 0 HA ARG A 59 68.320 21.278 22.661 1.00 1.00 H new ATOM 0 HB2 ARG A 59 69.802 19.496 20.671 1.00 1.00 H new ATOM 0 HB3 ARG A 59 68.410 19.008 21.616 1.00 1.00 H new ATOM 0 HG2 ARG A 59 68.461 21.151 19.468 1.00 1.00 H new ATOM 0 HG3 ARG A 59 67.797 19.538 19.304 1.00 1.00 H new ATOM 0 HD2 ARG A 59 66.670 21.581 21.254 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.111 21.428 19.600 1.00 1.00 H new ATOM 0 HE ARG A 59 65.985 18.795 20.566 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.682 21.927 21.844 1.00 1.00 H new ATOM 0 HH12 ARG A 59 63.240 21.153 22.511 1.00 1.00 H new ATOM 0 HH21 ARG A 59 64.027 17.901 21.367 1.00 1.00 H new ATOM 0 HH22 ARG A 59 62.876 18.914 22.245 1.00 1.00 H new ATOM 964 N PHE A 60 69.500 19.594 24.228 1.00 1.00 N ATOM 965 CA PHE A 60 70.179 19.187 25.425 1.00 1.00 C ATOM 966 C PHE A 60 70.526 17.730 25.436 1.00 1.00 C ATOM 967 O PHE A 60 69.861 16.881 24.845 1.00 1.00 O ATOM 968 CB PHE A 60 69.349 19.524 26.679 1.00 1.00 C ATOM 969 CG PHE A 60 69.223 20.976 27.013 1.00 1.00 C ATOM 970 CD1 PHE A 60 69.920 21.996 26.387 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.398 21.300 28.077 1.00 1.00 C ATOM 972 CE1 PHE A 60 69.777 23.307 26.801 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.263 22.604 28.512 1.00 1.00 C ATOM 974 CZ PHE A 60 68.952 23.614 27.867 1.00 1.00 C ATOM 0 H PHE A 60 68.521 19.309 24.196 1.00 1.00 H new ATOM 0 HA PHE A 60 71.112 19.750 25.441 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.348 19.114 26.548 1.00 1.00 H new ATOM 0 HB3 PHE A 60 69.794 19.013 27.533 1.00 1.00 H new ATOM 0 HD1 PHE A 60 70.583 21.764 25.566 1.00 1.00 H new ATOM 0 HD2 PHE A 60 67.848 20.516 28.577 1.00 1.00 H new ATOM 0 HE1 PHE A 60 70.312 24.094 26.290 1.00 1.00 H new ATOM 0 HE2 PHE A 60 67.623 22.833 29.351 1.00 1.00 H new ATOM 0 HZ PHE A 60 68.846 24.638 28.194 1.00 1.00 H new ATOM 984 N ARG A 61 71.645 17.398 26.104 1.00 1.00 N ATOM 985 CA ARG A 61 72.252 16.100 26.100 1.00 1.00 C ATOM 986 C ARG A 61 72.889 15.877 27.437 1.00 1.00 C ATOM 987 O ARG A 61 73.374 16.812 28.071 1.00 1.00 O ATOM 988 CB ARG A 61 73.291 16.082 24.962 1.00 1.00 C ATOM 989 CG ARG A 61 74.013 14.752 24.725 1.00 1.00 C ATOM 990 CD ARG A 61 74.738 14.683 23.378 1.00 1.00 C ATOM 991 NE ARG A 61 75.828 15.699 23.383 1.00 1.00 N ATOM 992 CZ ARG A 61 76.730 15.838 22.378 1.00 1.00 C ATOM 993 NH1 ARG A 61 76.705 15.100 21.243 1.00 1.00 N ATOM 994 NH2 ARG A 61 77.724 16.742 22.542 1.00 1.00 N ATOM 0 H ARG A 61 72.154 18.070 26.678 1.00 1.00 H new ATOM 0 HA ARG A 61 71.528 15.302 25.932 1.00 1.00 H new ATOM 0 HB2 ARG A 61 72.791 16.370 24.037 1.00 1.00 H new ATOM 0 HB3 ARG A 61 74.040 16.846 25.170 1.00 1.00 H new ATOM 0 HG2 ARG A 61 74.735 14.592 25.526 1.00 1.00 H new ATOM 0 HG3 ARG A 61 73.289 13.939 24.781 1.00 1.00 H new ATOM 0 HD2 ARG A 61 75.148 13.686 23.218 1.00 1.00 H new ATOM 0 HD3 ARG A 61 74.042 14.876 22.562 1.00 1.00 H new ATOM 0 HE ARG A 61 75.900 16.324 24.186 1.00 1.00 H new ATOM 0 HH11 ARG A 61 75.981 14.394 21.109 1.00 1.00 H new ATOM 0 HH12 ARG A 61 77.411 15.250 20.522 1.00 1.00 H new ATOM 0 HH21 ARG A 61 77.777 17.292 23.400 1.00 1.00 H new ATOM 0 HH22 ARG A 61 78.420 16.874 21.808 1.00 1.00 H new ATOM 1008 N PHE A 62 72.881 14.631 27.950 1.00 1.00 N ATOM 1009 CA PHE A 62 73.475 14.303 29.214 1.00 1.00 C ATOM 1010 C PHE A 62 74.367 13.114 29.040 1.00 1.00 C ATOM 1011 O PHE A 62 73.907 12.000 28.793 1.00 1.00 O ATOM 1012 CB PHE A 62 72.373 14.006 30.248 1.00 1.00 C ATOM 1013 CG PHE A 62 72.863 14.103 31.656 1.00 1.00 C ATOM 1014 CD1 PHE A 62 72.810 15.318 32.315 1.00 1.00 C ATOM 1015 CD2 PHE A 62 73.300 12.985 32.344 1.00 1.00 C ATOM 1016 CE1 PHE A 62 73.136 15.412 33.655 1.00 1.00 C ATOM 1017 CE2 PHE A 62 73.624 13.069 33.686 1.00 1.00 C ATOM 1018 CZ PHE A 62 73.533 14.281 34.345 1.00 1.00 C ATOM 0 H PHE A 62 72.453 13.834 27.478 1.00 1.00 H new ATOM 0 HA PHE A 62 74.067 15.144 29.575 1.00 1.00 H new ATOM 0 HB2 PHE A 62 71.549 14.705 30.105 1.00 1.00 H new ATOM 0 HB3 PHE A 62 71.977 13.006 30.074 1.00 1.00 H new ATOM 0 HD1 PHE A 62 72.510 16.204 31.776 1.00 1.00 H new ATOM 0 HD2 PHE A 62 73.389 12.040 31.829 1.00 1.00 H new ATOM 0 HE1 PHE A 62 73.081 16.365 34.161 1.00 1.00 H new ATOM 0 HE2 PHE A 62 73.948 12.188 34.219 1.00 1.00 H new ATOM 0 HZ PHE A 62 73.771 14.344 35.396 1.00 1.00 H new ATOM 1028 N ASP A 63 75.692 13.324 29.144 1.00 1.00 N ATOM 1029 CA ASP A 63 76.732 12.344 28.996 1.00 1.00 C ATOM 1030 C ASP A 63 76.651 11.555 27.724 1.00 1.00 C ATOM 1031 O ASP A 63 76.730 10.328 27.696 1.00 1.00 O ATOM 1032 CB ASP A 63 76.838 11.426 30.229 1.00 1.00 C ATOM 1033 CG ASP A 63 77.077 12.189 31.519 1.00 1.00 C ATOM 1034 OD1 ASP A 63 77.588 13.341 31.516 1.00 1.00 O ATOM 1035 OD2 ASP A 63 76.778 11.594 32.588 1.00 1.00 O ATOM 0 H ASP A 63 76.067 14.250 29.347 1.00 1.00 H new ATOM 0 HA ASP A 63 77.656 12.917 28.925 1.00 1.00 H new ATOM 0 HB2 ASP A 63 75.921 10.845 30.322 1.00 1.00 H new ATOM 0 HB3 ASP A 63 77.651 10.716 30.077 1.00 1.00 H new ATOM 1040 N GLY A 64 76.457 12.250 26.589 1.00 1.00 N ATOM 1041 CA GLY A 64 76.285 11.623 25.310 1.00 1.00 C ATOM 1042 C GLY A 64 74.937 11.039 25.035 1.00 1.00 C ATOM 1043 O GLY A 64 74.757 10.418 23.990 1.00 1.00 O ATOM 0 H GLY A 64 76.418 13.269 26.556 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.503 12.359 24.536 1.00 1.00 H new ATOM 0 HA3 GLY A 64 77.027 10.830 25.215 1.00 1.00 H new ATOM 1047 N GLN A 65 73.932 11.200 25.917 1.00 1.00 N ATOM 1048 CA GLN A 65 72.635 10.621 25.718 1.00 1.00 C ATOM 1049 C GLN A 65 71.632 11.718 25.535 1.00 1.00 C ATOM 1050 O GLN A 65 71.654 12.665 26.322 1.00 1.00 O ATOM 1051 CB GLN A 65 72.207 9.771 26.930 1.00 1.00 C ATOM 1052 CG GLN A 65 73.189 8.655 27.307 1.00 1.00 C ATOM 1053 CD GLN A 65 73.489 7.688 26.168 1.00 1.00 C ATOM 1054 OE1 GLN A 65 74.644 7.424 25.832 1.00 1.00 O ATOM 1055 NE2 GLN A 65 72.418 7.128 25.550 1.00 1.00 N ATOM 0 H GLN A 65 74.019 11.738 26.779 1.00 1.00 H new ATOM 0 HA GLN A 65 72.682 9.980 24.838 1.00 1.00 H new ATOM 0 HB2 GLN A 65 72.077 10.428 27.790 1.00 1.00 H new ATOM 0 HB3 GLN A 65 71.235 9.325 26.719 1.00 1.00 H new ATOM 0 HG2 GLN A 65 74.123 9.104 27.645 1.00 1.00 H new ATOM 0 HG3 GLN A 65 72.782 8.095 28.149 1.00 1.00 H new ATOM 0 HE21 GLN A 65 71.473 7.367 25.851 1.00 1.00 H new ATOM 0 HE22 GLN A 65 72.558 6.469 24.785 1.00 1.00 H new ATOM 1064 N PRO A 66 70.754 11.715 24.566 1.00 1.00 N ATOM 1065 CA PRO A 66 69.576 12.545 24.547 1.00 1.00 C ATOM 1066 C PRO A 66 68.743 12.522 25.790 1.00 1.00 C ATOM 1067 O PRO A 66 68.475 11.447 26.325 1.00 1.00 O ATOM 1068 CB PRO A 66 68.789 12.075 23.323 1.00 1.00 C ATOM 1069 CG PRO A 66 69.879 11.556 22.375 1.00 1.00 C ATOM 1070 CD PRO A 66 70.868 10.912 23.356 1.00 1.00 C ATOM 0 HA PRO A 66 69.872 13.593 24.496 1.00 1.00 H new ATOM 0 HB2 PRO A 66 68.075 11.293 23.581 1.00 1.00 H new ATOM 0 HB3 PRO A 66 68.221 12.890 22.874 1.00 1.00 H new ATOM 0 HG2 PRO A 66 69.487 10.835 21.657 1.00 1.00 H new ATOM 0 HG3 PRO A 66 70.338 12.361 21.801 1.00 1.00 H new ATOM 0 HD2 PRO A 66 70.616 9.869 23.546 1.00 1.00 H new ATOM 0 HD3 PRO A 66 71.885 10.928 22.963 1.00 1.00 H new ATOM 1078 N ILE A 67 68.299 13.697 26.269 1.00 1.00 N ATOM 1079 CA ILE A 67 67.397 13.852 27.373 1.00 1.00 C ATOM 1080 C ILE A 67 66.197 14.557 26.827 1.00 1.00 C ATOM 1081 O ILE A 67 66.327 15.394 25.936 1.00 1.00 O ATOM 1082 CB ILE A 67 67.991 14.622 28.524 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.854 15.808 28.052 1.00 1.00 C ATOM 1084 CG2 ILE A 67 68.813 13.634 29.370 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.269 16.759 29.174 1.00 1.00 C ATOM 0 H ILE A 67 68.584 14.589 25.865 1.00 1.00 H new ATOM 0 HA ILE A 67 67.151 12.875 27.788 1.00 1.00 H new ATOM 0 HB ILE A 67 67.190 15.061 29.119 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.750 15.422 27.567 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.301 16.370 27.299 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.258 14.161 30.214 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.162 12.842 29.739 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.602 13.199 28.757 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.874 17.567 28.761 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.379 17.176 29.645 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.851 16.213 29.917 1.00 1.00 H new ATOM 1097 N ASN A 68 64.975 14.218 27.282 1.00 1.00 N ATOM 1098 CA ASN A 68 63.792 14.697 26.626 1.00 1.00 C ATOM 1099 C ASN A 68 63.255 15.856 27.400 1.00 1.00 C ATOM 1100 O ASN A 68 63.519 16.006 28.591 1.00 1.00 O ATOM 1101 CB ASN A 68 62.705 13.611 26.516 1.00 1.00 C ATOM 1102 CG ASN A 68 63.233 12.411 25.739 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.247 12.382 24.509 1.00 1.00 O ATOM 1104 ND2 ASN A 68 63.690 11.366 26.476 1.00 1.00 N ATOM 0 H ASN A 68 64.805 13.621 28.092 1.00 1.00 H new ATOM 0 HA ASN A 68 64.062 14.992 25.612 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.391 13.299 27.512 1.00 1.00 H new ATOM 0 HB3 ASN A 68 61.825 14.017 26.017 1.00 1.00 H new ATOM 0 HD21 ASN A 68 64.055 10.535 26.011 1.00 1.00 H new ATOM 0 HD22 ASN A 68 63.669 11.412 27.495 1.00 1.00 H new ATOM 1111 N GLU A 69 62.445 16.737 26.788 1.00 1.00 N ATOM 1112 CA GLU A 69 61.885 17.877 27.457 1.00 1.00 C ATOM 1113 C GLU A 69 60.913 17.519 28.538 1.00 1.00 C ATOM 1114 O GLU A 69 60.761 18.237 29.524 1.00 1.00 O ATOM 1115 CB GLU A 69 61.277 18.806 26.392 1.00 1.00 C ATOM 1116 CG GLU A 69 62.400 19.489 25.601 1.00 1.00 C ATOM 1117 CD GLU A 69 61.983 19.878 24.194 1.00 1.00 C ATOM 1118 OE1 GLU A 69 61.638 18.963 23.397 1.00 1.00 O ATOM 1119 OE2 GLU A 69 62.049 21.080 23.826 1.00 1.00 O ATOM 0 H GLU A 69 62.171 16.659 25.809 1.00 1.00 H new ATOM 0 HA GLU A 69 62.681 18.399 27.988 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.640 18.234 25.718 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.646 19.556 26.868 1.00 1.00 H new ATOM 0 HG2 GLU A 69 62.724 20.381 26.137 1.00 1.00 H new ATOM 0 HG3 GLU A 69 63.258 18.819 25.548 1.00 1.00 H new ATOM 1126 N THR A 70 60.284 16.336 28.409 1.00 1.00 N ATOM 1127 CA THR A 70 59.448 15.708 29.393 1.00 1.00 C ATOM 1128 C THR A 70 60.224 15.032 30.483 1.00 1.00 C ATOM 1129 O THR A 70 59.672 14.650 31.515 1.00 1.00 O ATOM 1130 CB THR A 70 58.540 14.685 28.760 1.00 1.00 C ATOM 1131 OG1 THR A 70 57.975 15.214 27.570 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.335 14.329 29.646 1.00 1.00 C ATOM 0 H THR A 70 60.364 15.778 27.559 1.00 1.00 H new ATOM 0 HA THR A 70 58.867 16.517 29.835 1.00 1.00 H new ATOM 0 HB THR A 70 59.161 13.806 28.591 1.00 1.00 H new ATOM 0 HG1 THR A 70 57.387 14.545 27.161 1.00 1.00 H new ATOM 0 HG21 THR A 70 56.717 13.588 29.139 1.00 1.00 H new ATOM 0 HG22 THR A 70 57.688 13.920 30.593 1.00 1.00 H new ATOM 0 HG23 THR A 70 56.745 15.226 29.835 1.00 1.00 H new ATOM 1140 N ASP A 71 61.549 14.832 30.347 1.00 1.00 N ATOM 1141 CA ASP A 71 62.375 14.302 31.390 1.00 1.00 C ATOM 1142 C ASP A 71 62.640 15.319 32.458 1.00 1.00 C ATOM 1143 O ASP A 71 62.264 16.488 32.382 1.00 1.00 O ATOM 1144 CB ASP A 71 63.676 13.699 30.830 1.00 1.00 C ATOM 1145 CG ASP A 71 63.425 12.426 30.041 1.00 1.00 C ATOM 1146 OD1 ASP A 71 62.492 11.649 30.377 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.208 12.169 29.090 1.00 1.00 O ATOM 0 H ASP A 71 62.059 15.044 29.490 1.00 1.00 H new ATOM 0 HA ASP A 71 61.823 13.488 31.860 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.167 14.431 30.189 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.359 13.486 31.652 1.00 1.00 H new ATOM 1152 N THR A 72 63.277 14.886 33.560 1.00 1.00 N ATOM 1153 CA THR A 72 63.222 15.588 34.814 1.00 1.00 C ATOM 1154 C THR A 72 64.510 15.389 35.547 1.00 1.00 C ATOM 1155 O THR A 72 65.219 14.424 35.259 1.00 1.00 O ATOM 1156 CB THR A 72 62.126 15.167 35.765 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.166 13.781 36.066 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.715 15.442 35.220 1.00 1.00 C ATOM 0 H THR A 72 63.840 14.036 33.586 1.00 1.00 H new ATOM 0 HA THR A 72 63.022 16.621 34.530 1.00 1.00 H new ATOM 0 HB THR A 72 62.315 15.766 36.656 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.701 13.280 35.364 1.00 1.00 H new ATOM 0 HG21 THR A 72 59.973 15.117 35.950 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.598 16.510 35.035 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.572 14.894 34.289 1.00 1.00 H new ATOM 1166 N PRO A 73 64.856 16.203 36.510 1.00 1.00 N ATOM 1167 CA PRO A 73 65.889 15.901 37.467 1.00 1.00 C ATOM 1168 C PRO A 73 65.718 14.629 38.233 1.00 1.00 C ATOM 1169 O PRO A 73 66.725 13.987 38.524 1.00 1.00 O ATOM 1170 CB PRO A 73 65.890 17.100 38.415 1.00 1.00 C ATOM 1171 CG PRO A 73 65.448 18.263 37.518 1.00 1.00 C ATOM 1172 CD PRO A 73 64.389 17.578 36.644 1.00 1.00 C ATOM 0 HA PRO A 73 66.828 15.739 36.938 1.00 1.00 H new ATOM 0 HB2 PRO A 73 65.204 16.953 39.249 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.878 17.274 38.841 1.00 1.00 H new ATOM 0 HG2 PRO A 73 65.034 19.092 38.092 1.00 1.00 H new ATOM 0 HG3 PRO A 73 66.272 18.664 36.928 1.00 1.00 H new ATOM 0 HD2 PRO A 73 63.404 17.619 37.109 1.00 1.00 H new ATOM 0 HD3 PRO A 73 64.302 18.064 35.672 1.00 1.00 H new ATOM 1180 N ALA A 74 64.483 14.236 38.596 1.00 1.00 N ATOM 1181 CA ALA A 74 64.198 13.019 39.300 1.00 1.00 C ATOM 1182 C ALA A 74 64.501 11.777 38.522 1.00 1.00 C ATOM 1183 O ALA A 74 65.112 10.829 39.010 1.00 1.00 O ATOM 1184 CB ALA A 74 62.698 12.995 39.638 1.00 1.00 C ATOM 0 H ALA A 74 63.649 14.786 38.392 1.00 1.00 H new ATOM 0 HA ALA A 74 64.838 13.016 40.182 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.461 12.076 40.174 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.452 13.854 40.263 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.117 13.038 38.717 1.00 1.00 H new ATOM 1190 N GLN A 75 64.080 11.754 37.245 1.00 1.00 N ATOM 1191 CA GLN A 75 64.226 10.638 36.358 1.00 1.00 C ATOM 1192 C GLN A 75 65.647 10.443 35.937 1.00 1.00 C ATOM 1193 O GLN A 75 66.169 9.329 35.935 1.00 1.00 O ATOM 1194 CB GLN A 75 63.336 10.862 35.122 1.00 1.00 C ATOM 1195 CG GLN A 75 61.848 10.618 35.402 1.00 1.00 C ATOM 1196 CD GLN A 75 60.999 11.184 34.272 1.00 1.00 C ATOM 1197 OE1 GLN A 75 60.954 12.397 34.066 1.00 1.00 O ATOM 1198 NE2 GLN A 75 60.312 10.305 33.498 1.00 1.00 N ATOM 0 H GLN A 75 63.616 12.551 36.809 1.00 1.00 H new ATOM 0 HA GLN A 75 63.918 9.736 36.887 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.470 11.883 34.765 1.00 1.00 H new ATOM 0 HB3 GLN A 75 63.663 10.199 34.321 1.00 1.00 H new ATOM 0 HG2 GLN A 75 61.661 9.549 35.507 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.567 11.085 36.346 1.00 1.00 H new ATOM 0 HE21 GLN A 75 60.367 9.305 33.691 1.00 1.00 H new ATOM 0 HE22 GLN A 75 59.741 10.645 32.724 1.00 1.00 H new ATOM 1207 N LEU A 76 66.342 11.547 35.607 1.00 1.00 N ATOM 1208 CA LEU A 76 67.680 11.488 35.098 1.00 1.00 C ATOM 1209 C LEU A 76 68.698 11.563 36.199 1.00 1.00 C ATOM 1210 O LEU A 76 69.897 11.385 35.987 1.00 1.00 O ATOM 1211 CB LEU A 76 67.768 12.650 34.089 1.00 1.00 C ATOM 1212 CG LEU A 76 68.612 12.436 32.821 1.00 1.00 C ATOM 1213 CD1 LEU A 76 70.125 12.323 33.060 1.00 1.00 C ATOM 1214 CD2 LEU A 76 68.108 11.240 31.996 1.00 1.00 C ATOM 0 H LEU A 76 65.972 12.493 35.694 1.00 1.00 H new ATOM 0 HA LEU A 76 67.903 10.539 34.611 1.00 1.00 H new ATOM 0 HB2 LEU A 76 66.754 12.901 33.778 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.165 13.519 34.613 1.00 1.00 H new ATOM 0 HG LEU A 76 68.472 13.354 32.250 1.00 1.00 H new ATOM 0 HD11 LEU A 76 70.634 12.174 32.108 1.00 1.00 H new ATOM 0 HD12 LEU A 76 70.489 13.239 33.526 1.00 1.00 H new ATOM 0 HD13 LEU A 76 70.327 11.476 33.716 1.00 1.00 H new ATOM 0 HD21 LEU A 76 68.730 11.122 31.109 1.00 1.00 H new ATOM 0 HD22 LEU A 76 68.161 10.334 32.599 1.00 1.00 H new ATOM 0 HD23 LEU A 76 67.075 11.415 31.694 1.00 1.00 H new ATOM 1226 N GLU A 77 68.248 11.765 37.451 1.00 1.00 N ATOM 1227 CA GLU A 77 69.029 11.817 38.655 1.00 1.00 C ATOM 1228 C GLU A 77 70.075 12.891 38.689 1.00 1.00 C ATOM 1229 O GLU A 77 71.239 12.656 39.011 1.00 1.00 O ATOM 1230 CB GLU A 77 69.574 10.452 39.122 1.00 1.00 C ATOM 1231 CG GLU A 77 68.494 9.418 39.476 1.00 1.00 C ATOM 1232 CD GLU A 77 69.080 8.160 40.098 1.00 1.00 C ATOM 1233 OE1 GLU A 77 69.867 7.453 39.413 1.00 1.00 O ATOM 1234 OE2 GLU A 77 68.764 7.844 41.276 1.00 1.00 O ATOM 0 H GLU A 77 67.255 11.904 37.638 1.00 1.00 H new ATOM 0 HA GLU A 77 68.292 12.115 39.401 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.208 10.041 38.336 1.00 1.00 H new ATOM 0 HB3 GLU A 77 70.208 10.608 39.995 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.780 9.864 40.168 1.00 1.00 H new ATOM 0 HG3 GLU A 77 67.941 9.151 38.576 1.00 1.00 H new ATOM 1241 N MET A 78 69.698 14.133 38.335 1.00 1.00 N ATOM 1242 CA MET A 78 70.491 15.323 38.416 1.00 1.00 C ATOM 1243 C MET A 78 70.645 15.790 39.831 1.00 1.00 C ATOM 1244 O MET A 78 69.813 15.508 40.692 1.00 1.00 O ATOM 1245 CB MET A 78 69.848 16.410 37.534 1.00 1.00 C ATOM 1246 CG MET A 78 69.839 16.046 36.045 1.00 1.00 C ATOM 1247 SD MET A 78 68.817 17.161 35.036 1.00 1.00 S ATOM 1248 CE MET A 78 69.242 16.378 33.455 1.00 1.00 C ATOM 0 H MET A 78 68.766 14.319 37.963 1.00 1.00 H new ATOM 0 HA MET A 78 71.495 15.107 38.051 1.00 1.00 H new ATOM 0 HB2 MET A 78 68.824 16.581 37.867 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.388 17.347 37.670 1.00 1.00 H new ATOM 0 HG2 MET A 78 70.862 16.062 35.668 1.00 1.00 H new ATOM 0 HG3 MET A 78 69.473 15.026 35.930 1.00 1.00 H new ATOM 0 HE1 MET A 78 68.480 16.619 32.713 1.00 1.00 H new ATOM 0 HE2 MET A 78 70.209 16.747 33.115 1.00 1.00 H new ATOM 0 HE3 MET A 78 69.292 15.297 33.586 1.00 1.00 H new ATOM 1258 N GLU A 79 71.735 16.512 40.144 1.00 1.00 N ATOM 1259 CA GLU A 79 72.126 16.809 41.491 1.00 1.00 C ATOM 1260 C GLU A 79 72.117 18.284 41.728 1.00 1.00 C ATOM 1261 O GLU A 79 71.850 19.075 40.824 1.00 1.00 O ATOM 1262 CB GLU A 79 73.526 16.249 41.808 1.00 1.00 C ATOM 1263 CG GLU A 79 74.694 17.004 41.160 1.00 1.00 C ATOM 1264 CD GLU A 79 76.030 16.296 41.297 1.00 1.00 C ATOM 1265 OE1 GLU A 79 76.372 15.452 40.428 1.00 1.00 O ATOM 1266 OE2 GLU A 79 76.833 16.675 42.189 1.00 1.00 O ATOM 0 H GLU A 79 72.364 16.901 39.442 1.00 1.00 H new ATOM 0 HA GLU A 79 71.403 16.331 42.151 1.00 1.00 H new ATOM 0 HB2 GLU A 79 73.666 16.255 42.889 1.00 1.00 H new ATOM 0 HB3 GLU A 79 73.565 15.208 41.487 1.00 1.00 H new ATOM 0 HG2 GLU A 79 74.478 17.151 40.102 1.00 1.00 H new ATOM 0 HG3 GLU A 79 74.770 17.994 41.610 1.00 1.00 H new ATOM 1273 N ASP A 80 72.440 18.701 42.966 1.00 1.00 N ATOM 1274 CA ASP A 80 72.520 20.049 43.451 1.00 1.00 C ATOM 1275 C ASP A 80 73.377 20.994 42.665 1.00 1.00 C ATOM 1276 O ASP A 80 73.165 22.205 42.722 1.00 1.00 O ATOM 1277 CB ASP A 80 72.770 20.076 44.971 1.00 1.00 C ATOM 1278 CG ASP A 80 74.070 19.396 45.360 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.163 18.145 45.242 1.00 1.00 O ATOM 1280 OD2 ASP A 80 75.017 20.102 45.799 1.00 1.00 O ATOM 0 H ASP A 80 72.667 18.028 43.698 1.00 1.00 H new ATOM 0 HA ASP A 80 71.532 20.473 43.270 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.788 21.110 45.314 1.00 1.00 H new ATOM 0 HB3 ASP A 80 71.941 19.586 45.481 1.00 1.00 H new ATOM 1285 N GLU A 81 74.395 20.476 41.952 1.00 1.00 N ATOM 1286 CA GLU A 81 75.152 21.184 40.959 1.00 1.00 C ATOM 1287 C GLU A 81 75.390 20.347 39.736 1.00 1.00 C ATOM 1288 O GLU A 81 76.530 19.967 39.473 1.00 1.00 O ATOM 1289 CB GLU A 81 76.520 21.617 41.520 1.00 1.00 C ATOM 1290 CG GLU A 81 76.410 22.613 42.681 1.00 1.00 C ATOM 1291 CD GLU A 81 77.775 23.111 43.124 1.00 1.00 C ATOM 1292 OE1 GLU A 81 78.571 22.303 43.673 1.00 1.00 O ATOM 1293 OE2 GLU A 81 78.059 24.323 42.930 1.00 1.00 O ATOM 0 H GLU A 81 74.708 19.513 42.073 1.00 1.00 H new ATOM 0 HA GLU A 81 74.562 22.059 40.685 1.00 1.00 H new ATOM 0 HB2 GLU A 81 77.063 20.734 41.858 1.00 1.00 H new ATOM 0 HB3 GLU A 81 77.108 22.066 40.719 1.00 1.00 H new ATOM 0 HG2 GLU A 81 75.795 23.460 42.377 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.905 22.138 43.522 1.00 1.00 H new ATOM 1300 N ASP A 82 74.368 19.973 38.938 1.00 1.00 N ATOM 1301 CA ASP A 82 74.580 19.191 37.749 1.00 1.00 C ATOM 1302 C ASP A 82 75.014 19.931 36.515 1.00 1.00 C ATOM 1303 O ASP A 82 74.971 21.157 36.442 1.00 1.00 O ATOM 1304 CB ASP A 82 73.408 18.245 37.405 1.00 1.00 C ATOM 1305 CG ASP A 82 73.994 16.845 37.319 1.00 1.00 C ATOM 1306 OD1 ASP A 82 74.944 16.625 36.523 1.00 1.00 O ATOM 1307 OD2 ASP A 82 73.649 15.972 38.157 1.00 1.00 O ATOM 0 H ASP A 82 73.392 20.212 39.115 1.00 1.00 H new ATOM 0 HA ASP A 82 75.443 18.599 38.053 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.632 18.295 38.169 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.944 18.530 36.461 1.00 1.00 H new ATOM 1312 N THR A 83 75.464 19.187 35.484 1.00 1.00 N ATOM 1313 CA THR A 83 75.949 19.686 34.225 1.00 1.00 C ATOM 1314 C THR A 83 75.262 19.041 33.060 1.00 1.00 C ATOM 1315 O THR A 83 75.250 17.820 32.910 1.00 1.00 O ATOM 1316 CB THR A 83 77.433 19.510 34.014 1.00 1.00 C ATOM 1317 OG1 THR A 83 78.191 20.149 35.031 1.00 1.00 O ATOM 1318 CG2 THR A 83 77.898 20.168 32.703 1.00 1.00 C ATOM 0 H THR A 83 75.491 18.168 35.532 1.00 1.00 H new ATOM 0 HA THR A 83 75.725 20.752 34.275 1.00 1.00 H new ATOM 0 HB THR A 83 77.593 18.432 34.010 1.00 1.00 H new ATOM 0 HG1 THR A 83 79.147 20.012 34.862 1.00 1.00 H new ATOM 0 HG21 THR A 83 78.972 20.022 32.583 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.374 19.714 31.862 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.678 21.235 32.734 1.00 1.00 H new ATOM 1326 N ILE A 84 74.680 19.855 32.160 1.00 1.00 N ATOM 1327 CA ILE A 84 73.995 19.521 30.942 1.00 1.00 C ATOM 1328 C ILE A 84 74.774 20.052 29.778 1.00 1.00 C ATOM 1329 O ILE A 84 75.351 21.137 29.829 1.00 1.00 O ATOM 1330 CB ILE A 84 72.565 20.000 30.916 1.00 1.00 C ATOM 1331 CG1 ILE A 84 71.738 19.232 31.966 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.923 19.853 29.523 1.00 1.00 C ATOM 1333 CD1 ILE A 84 70.284 19.697 32.065 1.00 1.00 C ATOM 0 H ILE A 84 74.691 20.865 32.303 1.00 1.00 H new ATOM 0 HA ILE A 84 73.936 18.434 30.878 1.00 1.00 H new ATOM 0 HB ILE A 84 72.571 21.063 31.156 1.00 1.00 H new ATOM 0 HG12 ILE A 84 71.754 18.170 31.722 1.00 1.00 H new ATOM 0 HG13 ILE A 84 72.213 19.343 32.941 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.894 20.211 29.557 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.488 20.439 28.798 1.00 1.00 H new ATOM 0 HG23 ILE A 84 71.932 18.804 29.227 1.00 1.00 H new ATOM 0 HD11 ILE A 84 69.765 19.111 32.824 1.00 1.00 H new ATOM 0 HD12 ILE A 84 70.257 20.751 32.340 1.00 1.00 H new ATOM 0 HD13 ILE A 84 69.792 19.560 31.102 1.00 1.00 H new ATOM 1345 N ASP A 85 74.853 19.288 28.672 1.00 1.00 N ATOM 1346 CA ASP A 85 75.688 19.538 27.534 1.00 1.00 C ATOM 1347 C ASP A 85 74.775 19.904 26.406 1.00 1.00 C ATOM 1348 O ASP A 85 73.677 19.365 26.270 1.00 1.00 O ATOM 1349 CB ASP A 85 76.368 18.196 27.189 1.00 1.00 C ATOM 1350 CG ASP A 85 77.411 18.217 26.085 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.416 18.972 26.173 1.00 1.00 O ATOM 1352 OD2 ASP A 85 77.266 17.408 25.131 1.00 1.00 O ATOM 0 H ASP A 85 74.297 18.440 28.566 1.00 1.00 H new ATOM 0 HA ASP A 85 76.425 20.321 27.714 1.00 1.00 H new ATOM 0 HB2 ASP A 85 76.840 17.812 28.094 1.00 1.00 H new ATOM 0 HB3 ASP A 85 75.591 17.485 26.908 1.00 1.00 H new ATOM 1357 N VAL A 86 75.175 20.872 25.564 1.00 1.00 N ATOM 1358 CA VAL A 86 74.339 21.352 24.501 1.00 1.00 C ATOM 1359 C VAL A 86 74.893 20.875 23.200 1.00 1.00 C ATOM 1360 O VAL A 86 76.083 21.024 22.920 1.00 1.00 O ATOM 1361 CB VAL A 86 74.268 22.855 24.442 1.00 1.00 C ATOM 1362 CG1 VAL A 86 73.325 23.342 23.326 1.00 1.00 C ATOM 1363 CG2 VAL A 86 73.748 23.385 25.787 1.00 1.00 C ATOM 0 H VAL A 86 76.086 21.328 25.618 1.00 1.00 H new ATOM 0 HA VAL A 86 73.335 20.971 24.689 1.00 1.00 H new ATOM 0 HB VAL A 86 75.270 23.229 24.231 1.00 1.00 H new ATOM 0 HG11 VAL A 86 73.303 24.432 23.318 1.00 1.00 H new ATOM 0 HG12 VAL A 86 73.684 22.979 22.363 1.00 1.00 H new ATOM 0 HG13 VAL A 86 72.320 22.960 23.506 1.00 1.00 H new ATOM 0 HG21 VAL A 86 73.694 24.473 25.753 1.00 1.00 H new ATOM 0 HG22 VAL A 86 72.755 22.978 25.979 1.00 1.00 H new ATOM 0 HG23 VAL A 86 74.426 23.081 26.585 1.00 1.00 H new ATOM 1373 N PHE A 87 74.025 20.307 22.343 1.00 1.00 N ATOM 1374 CA PHE A 87 74.344 20.115 20.958 1.00 1.00 C ATOM 1375 C PHE A 87 73.410 20.866 20.063 1.00 1.00 C ATOM 1376 O PHE A 87 72.193 20.912 20.238 1.00 1.00 O ATOM 1377 CB PHE A 87 74.425 18.624 20.581 1.00 1.00 C ATOM 1378 CG PHE A 87 75.394 18.423 19.460 1.00 1.00 C ATOM 1379 CD1 PHE A 87 76.730 18.747 19.628 1.00 1.00 C ATOM 1380 CD2 PHE A 87 74.964 17.988 18.220 1.00 1.00 C ATOM 1381 CE1 PHE A 87 77.612 18.674 18.566 1.00 1.00 C ATOM 1382 CE2 PHE A 87 75.843 17.893 17.156 1.00 1.00 C ATOM 1383 CZ PHE A 87 77.170 18.244 17.328 1.00 1.00 C ATOM 0 H PHE A 87 73.097 19.978 22.609 1.00 1.00 H new ATOM 0 HA PHE A 87 75.340 20.531 20.804 1.00 1.00 H new ATOM 0 HB2 PHE A 87 74.735 18.039 21.447 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.439 18.262 20.288 1.00 1.00 H new ATOM 0 HD1 PHE A 87 77.086 19.060 20.598 1.00 1.00 H new ATOM 0 HD2 PHE A 87 73.928 17.719 18.080 1.00 1.00 H new ATOM 0 HE1 PHE A 87 78.646 18.953 18.703 1.00 1.00 H new ATOM 0 HE2 PHE A 87 75.494 17.546 16.194 1.00 1.00 H new ATOM 0 HZ PHE A 87 77.859 18.182 16.498 1.00 1.00 H new ATOM 1393 N GLN A 88 73.997 21.533 19.054 1.00 1.00 N ATOM 1394 CA GLN A 88 73.335 22.433 18.158 1.00 1.00 C ATOM 1395 C GLN A 88 72.785 21.722 16.961 1.00 1.00 C ATOM 1396 O GLN A 88 73.374 20.783 16.428 1.00 1.00 O ATOM 1397 CB GLN A 88 74.286 23.580 17.765 1.00 1.00 C ATOM 1398 CG GLN A 88 75.615 23.128 17.144 1.00 1.00 C ATOM 1399 CD GLN A 88 76.592 24.286 16.970 1.00 1.00 C ATOM 1400 OE1 GLN A 88 76.304 25.461 17.197 1.00 1.00 O ATOM 1401 NE2 GLN A 88 77.837 23.943 16.551 1.00 1.00 N ATOM 0 H GLN A 88 74.992 21.439 18.851 1.00 1.00 H new ATOM 0 HA GLN A 88 72.478 22.865 18.674 1.00 1.00 H new ATOM 0 HB2 GLN A 88 73.774 24.232 17.058 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.499 24.177 18.652 1.00 1.00 H new ATOM 0 HG2 GLN A 88 76.068 22.364 17.776 1.00 1.00 H new ATOM 0 HG3 GLN A 88 75.423 22.668 16.175 1.00 1.00 H new ATOM 0 HE21 GLN A 88 78.062 22.965 16.367 1.00 1.00 H new ATOM 0 HE22 GLN A 88 78.548 24.663 16.421 1.00 1.00 H new ATOM 1410 N GLN A 89 71.578 22.125 16.521 1.00 1.00 N ATOM 1411 CA GLN A 89 70.895 21.533 15.407 1.00 1.00 C ATOM 1412 C GLN A 89 70.613 22.538 14.334 1.00 1.00 C ATOM 1413 O GLN A 89 69.994 22.232 13.316 1.00 1.00 O ATOM 1414 CB GLN A 89 69.555 20.932 15.870 1.00 1.00 C ATOM 1415 CG GLN A 89 69.658 19.954 17.048 1.00 1.00 C ATOM 1416 CD GLN A 89 70.561 18.753 16.793 1.00 1.00 C ATOM 1417 OE1 GLN A 89 70.540 18.130 15.732 1.00 1.00 O ATOM 1418 NE2 GLN A 89 71.344 18.368 17.835 1.00 1.00 N ATOM 0 H GLN A 89 71.059 22.889 16.954 1.00 1.00 H new ATOM 0 HA GLN A 89 71.546 20.757 15.004 1.00 1.00 H new ATOM 0 HB2 GLN A 89 68.886 21.746 16.150 1.00 1.00 H new ATOM 0 HB3 GLN A 89 69.095 20.416 15.028 1.00 1.00 H new ATOM 0 HG2 GLN A 89 70.028 20.493 17.920 1.00 1.00 H new ATOM 0 HG3 GLN A 89 68.659 19.596 17.295 1.00 1.00 H new ATOM 0 HE21 GLN A 89 71.340 18.905 18.702 1.00 1.00 H new ATOM 0 HE22 GLN A 89 71.936 17.542 17.750 1.00 1.00 H new ATOM 1481 N VAL B 966 72.184 32.136 38.544 1.00 1.00 N ATOM 1482 CA VAL B 966 71.573 33.076 37.649 1.00 1.00 C ATOM 1483 C VAL B 966 70.079 33.059 37.586 1.00 1.00 C ATOM 1484 O VAL B 966 69.412 34.084 37.717 1.00 1.00 O ATOM 1485 CB VAL B 966 72.243 33.111 36.295 1.00 1.00 C ATOM 1486 CG1 VAL B 966 73.188 31.933 36.010 1.00 1.00 C ATOM 1487 CG2 VAL B 966 71.266 33.040 35.112 1.00 1.00 C ATOM 0 HA VAL B 966 71.767 34.040 38.120 1.00 1.00 H new ATOM 0 HB VAL B 966 72.772 34.062 36.363 1.00 1.00 H new ATOM 0 HG11 VAL B 966 73.621 32.046 35.016 1.00 1.00 H new ATOM 0 HG12 VAL B 966 73.985 31.918 36.753 1.00 1.00 H new ATOM 0 HG13 VAL B 966 72.629 30.998 36.058 1.00 1.00 H new ATOM 0 HG21 VAL B 966 71.825 33.070 34.176 1.00 1.00 H new ATOM 0 HG22 VAL B 966 70.697 32.112 35.165 1.00 1.00 H new ATOM 0 HG23 VAL B 966 70.582 33.888 35.154 1.00 1.00 H new ATOM 1497 N ILE B 967 69.512 31.857 37.399 1.00 1.00 N ATOM 1498 CA ILE B 967 68.127 31.650 37.075 1.00 1.00 C ATOM 1499 C ILE B 967 67.447 30.970 38.223 1.00 1.00 C ATOM 1500 O ILE B 967 67.772 29.844 38.594 1.00 1.00 O ATOM 1501 CB ILE B 967 67.983 30.901 35.773 1.00 1.00 C ATOM 1502 CG1 ILE B 967 68.090 31.838 34.554 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.654 30.132 35.687 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.705 31.178 33.317 1.00 1.00 C ATOM 0 H ILE B 967 70.038 30.986 37.476 1.00 1.00 H new ATOM 0 HA ILE B 967 67.634 32.610 36.921 1.00 1.00 H new ATOM 0 HB ILE B 967 68.808 30.188 35.754 1.00 1.00 H new ATOM 0 HG12 ILE B 967 67.095 32.205 34.301 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.690 32.706 34.827 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.597 29.609 34.732 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.599 29.409 36.500 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.823 30.832 35.767 1.00 1.00 H new ATOM 0 HD11 ILE B 967 68.746 31.900 32.502 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.713 30.836 33.550 1.00 1.00 H new ATOM 0 HD13 ILE B 967 68.094 30.327 33.017 1.00 1.00 H new ATOM 1516 N ASP B 968 66.481 31.644 38.875 1.00 1.00 N ATOM 1517 CA ASP B 968 65.724 31.104 39.967 1.00 1.00 C ATOM 1518 C ASP B 968 64.365 30.680 39.500 1.00 1.00 C ATOM 1519 O ASP B 968 63.618 31.480 38.937 1.00 1.00 O ATOM 1520 CB ASP B 968 65.599 32.137 41.102 1.00 1.00 C ATOM 1521 CG ASP B 968 66.973 32.619 41.535 1.00 1.00 C ATOM 1522 OD1 ASP B 968 67.851 31.772 41.846 1.00 1.00 O ATOM 1523 OD2 ASP B 968 67.198 33.858 41.568 1.00 1.00 O ATOM 0 H ASP B 968 66.216 32.599 38.634 1.00 1.00 H new ATOM 0 HA ASP B 968 66.250 30.230 40.351 1.00 1.00 H new ATOM 0 HB2 ASP B 968 64.999 32.983 40.767 1.00 1.00 H new ATOM 0 HB3 ASP B 968 65.079 31.693 41.951 1.00 1.00 H new ATOM 1528 N LEU B 969 63.974 29.404 39.686 1.00 1.00 N ATOM 1529 CA LEU B 969 62.731 28.904 39.171 1.00 1.00 C ATOM 1530 C LEU B 969 61.572 29.000 40.113 1.00 1.00 C ATOM 1531 O LEU B 969 61.670 28.751 41.315 1.00 1.00 O ATOM 1532 CB LEU B 969 62.812 27.445 38.673 1.00 1.00 C ATOM 1533 CG LEU B 969 63.588 27.205 37.364 1.00 1.00 C ATOM 1534 CD1 LEU B 969 63.108 28.210 36.313 1.00 1.00 C ATOM 1535 CD2 LEU B 969 65.121 27.289 37.343 1.00 1.00 C ATOM 0 H LEU B 969 64.523 28.713 40.197 1.00 1.00 H new ATOM 0 HA LEU B 969 62.549 29.575 38.332 1.00 1.00 H new ATOM 0 HB2 LEU B 969 63.271 26.843 39.457 1.00 1.00 H new ATOM 0 HB3 LEU B 969 61.796 27.074 38.540 1.00 1.00 H new ATOM 0 HG LEU B 969 63.368 26.153 37.182 1.00 1.00 H new ATOM 0 HD11 LEU B 969 63.651 28.049 35.381 1.00 1.00 H new ATOM 0 HD12 LEU B 969 62.041 28.073 36.139 1.00 1.00 H new ATOM 0 HD13 LEU B 969 63.290 29.224 36.669 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.482 27.090 36.334 1.00 1.00 H new ATOM 0 HD22 LEU B 969 65.435 28.286 37.651 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.535 26.550 38.029 1.00 1.00 H new