USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=11 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 180:sc= 0.686 USER MOD Set 1.2: A 75 GLN : amide:sc= 0.574 X(o=1.3,f=1.2) USER MOD Set 2.1: A 44 MET CE :methyl 166:sc= -0.0283 (180deg=-0.225) USER MOD Set 2.2: A 55 MET CE :methyl 162:sc= -0.101 (180deg=-0.569) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.765 K(o=0.66,f=-0.36) USER MOD Set 3.2: A 31 GLN : amide:sc= -0.104 K(o=0.66,f=-0.36) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -164:sc= 1.23 (180deg=1.09) 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= -0.0234 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 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 75:sc= 0.459 USER MOD Single : A 51 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.28) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.72) USER MOD Single : A 65 GLN : amide:sc= 0.68 K(o=0.68,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= -0.0737 (180deg=-0.0737) 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) USER MOD Single : A 89 GLN : amide:sc=-0.00733 X(o=-0.0073,f=-0.0073) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 64.974 21.428 46.495 1.00 1.00 N ATOM 245 CA HIS A 17 65.562 22.108 45.376 1.00 1.00 C ATOM 246 C HIS A 17 67.042 21.971 45.190 1.00 1.00 C ATOM 247 O HIS A 17 67.834 22.016 46.130 1.00 1.00 O ATOM 248 CB HIS A 17 65.230 23.613 45.396 1.00 1.00 C ATOM 249 CG HIS A 17 65.774 24.338 46.595 1.00 1.00 C ATOM 250 ND1 HIS A 17 65.131 24.339 47.803 1.00 1.00 N ATOM 251 CD2 HIS A 17 66.946 24.999 46.781 1.00 1.00 C ATOM 252 CE1 HIS A 17 65.877 24.963 48.696 1.00 1.00 C ATOM 253 NE2 HIS A 17 66.976 25.381 48.097 1.00 1.00 N ATOM 0 HA HIS A 17 65.104 21.590 44.533 1.00 1.00 H new ATOM 0 HB2 HIS A 17 65.627 24.075 44.492 1.00 1.00 H new ATOM 0 HB3 HIS A 17 64.147 23.737 45.368 1.00 1.00 H new ATOM 0 HD2 HIS A 17 67.706 25.187 46.037 1.00 1.00 H new ATOM 0 HE1 HIS A 17 65.630 25.107 49.738 1.00 1.00 H new ATOM 0 HE2 HIS A 17 67.729 25.905 48.543 1.00 1.00 H new ATOM 262 N ILE A 18 67.463 21.829 43.922 1.00 1.00 N ATOM 263 CA ILE A 18 68.787 21.566 43.441 1.00 1.00 C ATOM 264 C ILE A 18 69.051 22.516 42.319 1.00 1.00 C ATOM 265 O ILE A 18 68.147 23.142 41.772 1.00 1.00 O ATOM 266 CB ILE A 18 68.997 20.155 42.958 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.959 19.698 41.915 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.968 19.251 44.202 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.346 18.370 41.262 1.00 1.00 C ATOM 0 H ILE A 18 66.802 21.907 43.149 1.00 1.00 H new ATOM 0 HA ILE A 18 69.476 21.699 44.275 1.00 1.00 H new ATOM 0 HB ILE A 18 69.953 20.095 42.438 1.00 1.00 H new ATOM 0 HG12 ILE A 18 66.985 19.596 42.394 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.857 20.464 41.146 1.00 1.00 H new ATOM 0 HG21 ILE A 18 69.117 18.214 43.902 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.763 19.548 44.886 1.00 1.00 H new ATOM 0 HG23 ILE A 18 68.004 19.350 44.701 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.586 18.087 40.534 1.00 1.00 H new ATOM 0 HD12 ILE A 18 69.307 18.478 40.759 1.00 1.00 H new ATOM 0 HD13 ILE A 18 68.422 17.597 42.027 1.00 1.00 H new ATOM 281 N ASN A 19 70.320 22.752 41.952 1.00 1.00 N ATOM 282 CA ASN A 19 70.663 23.598 40.846 1.00 1.00 C ATOM 283 C ASN A 19 71.208 22.743 39.748 1.00 1.00 C ATOM 284 O ASN A 19 71.829 21.709 39.983 1.00 1.00 O ATOM 285 CB ASN A 19 71.678 24.703 41.190 1.00 1.00 C ATOM 286 CG ASN A 19 71.155 25.649 42.260 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.704 26.751 41.954 1.00 1.00 O ATOM 288 ND2 ASN A 19 71.243 25.259 43.557 1.00 1.00 N ATOM 0 H ASN A 19 71.126 22.350 42.430 1.00 1.00 H new ATOM 0 HA ASN A 19 69.752 24.114 40.544 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.607 24.247 41.533 1.00 1.00 H new ATOM 0 HB3 ASN A 19 71.914 25.270 40.290 1.00 1.00 H new ATOM 0 HD21 ASN A 19 70.932 25.885 44.300 1.00 1.00 H new ATOM 0 HD22 ASN A 19 71.620 24.340 43.789 1.00 1.00 H new ATOM 295 N LEU A 20 70.943 23.085 38.477 1.00 1.00 N ATOM 296 CA LEU A 20 71.612 22.450 37.379 1.00 1.00 C ATOM 297 C LEU A 20 72.186 23.550 36.541 1.00 1.00 C ATOM 298 O LEU A 20 71.647 24.654 36.515 1.00 1.00 O ATOM 299 CB LEU A 20 70.676 21.506 36.598 1.00 1.00 C ATOM 300 CG LEU A 20 69.838 22.100 35.452 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.154 20.969 34.672 1.00 1.00 C ATOM 302 CD2 LEU A 20 68.777 23.123 35.887 1.00 1.00 C ATOM 0 H LEU A 20 70.267 23.799 38.206 1.00 1.00 H new ATOM 0 HA LEU A 20 72.411 21.796 37.727 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.284 20.701 36.184 1.00 1.00 H new ATOM 0 HB3 LEU A 20 69.989 21.052 37.312 1.00 1.00 H new ATOM 0 HG LEU A 20 70.546 22.647 34.830 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.561 21.393 33.861 1.00 1.00 H new ATOM 0 HD12 LEU A 20 69.911 20.303 34.258 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.503 20.407 35.342 1.00 1.00 H new ATOM 0 HD21 LEU A 20 68.239 23.484 35.011 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.075 22.650 36.574 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.263 23.962 36.385 1.00 1.00 H new ATOM 314 N LYS A 21 73.315 23.342 35.840 1.00 1.00 N ATOM 315 CA LYS A 21 73.830 24.241 34.850 1.00 1.00 C ATOM 316 C LYS A 21 73.870 23.581 33.509 1.00 1.00 C ATOM 317 O LYS A 21 74.045 22.370 33.381 1.00 1.00 O ATOM 318 CB LYS A 21 75.217 24.797 35.226 1.00 1.00 C ATOM 319 CG LYS A 21 76.411 23.885 34.919 1.00 1.00 C ATOM 320 CD LYS A 21 77.675 24.277 35.691 1.00 1.00 C ATOM 321 CE LYS A 21 77.662 23.755 37.129 1.00 1.00 C ATOM 322 NZ LYS A 21 78.764 24.369 37.897 1.00 1.00 N ATOM 0 H LYS A 21 73.895 22.512 35.967 1.00 1.00 H new ATOM 0 HA LYS A 21 73.149 25.091 34.804 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.362 25.742 34.702 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.220 25.020 36.293 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.147 22.856 35.162 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.620 23.916 33.850 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.551 23.886 35.173 1.00 1.00 H new ATOM 0 HD3 LYS A 21 77.769 25.363 35.702 1.00 1.00 H new ATOM 0 HE2 LYS A 21 76.706 23.985 37.600 1.00 1.00 H new ATOM 0 HE3 LYS A 21 77.765 22.670 37.132 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 78.749 24.010 38.873 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 79.673 24.128 37.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 78.647 25.402 37.907 1.00 1.00 H new ATOM 336 N VAL A 22 73.693 24.386 32.448 1.00 1.00 N ATOM 337 CA VAL A 22 73.780 23.938 31.089 1.00 1.00 C ATOM 338 C VAL A 22 74.918 24.671 30.456 1.00 1.00 C ATOM 339 O VAL A 22 74.980 25.898 30.524 1.00 1.00 O ATOM 340 CB VAL A 22 72.519 24.178 30.304 1.00 1.00 C ATOM 341 CG1 VAL A 22 72.735 23.922 28.802 1.00 1.00 C ATOM 342 CG2 VAL A 22 71.429 23.217 30.809 1.00 1.00 C ATOM 0 H VAL A 22 73.483 25.380 32.535 1.00 1.00 H new ATOM 0 HA VAL A 22 73.934 22.859 31.086 1.00 1.00 H new ATOM 0 HB VAL A 22 72.224 25.218 30.442 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.805 24.105 28.264 1.00 1.00 H new ATOM 0 HG12 VAL A 22 73.509 24.592 28.426 1.00 1.00 H new ATOM 0 HG13 VAL A 22 73.045 22.888 28.650 1.00 1.00 H new ATOM 0 HG21 VAL A 22 70.510 23.382 30.247 1.00 1.00 H new ATOM 0 HG22 VAL A 22 71.759 22.187 30.671 1.00 1.00 H new ATOM 0 HG23 VAL A 22 71.245 23.400 31.868 1.00 1.00 H new ATOM 352 N ALA A 23 75.852 23.936 29.825 1.00 1.00 N ATOM 353 CA ALA A 23 76.956 24.507 29.112 1.00 1.00 C ATOM 354 C ALA A 23 76.898 24.120 27.668 1.00 1.00 C ATOM 355 O ALA A 23 76.756 22.951 27.307 1.00 1.00 O ATOM 356 CB ALA A 23 78.282 24.026 29.727 1.00 1.00 C ATOM 0 H ALA A 23 75.840 22.916 29.810 1.00 1.00 H new ATOM 0 HA ALA A 23 76.897 25.593 29.188 1.00 1.00 H new ATOM 0 HB1 ALA A 23 79.117 24.464 29.180 1.00 1.00 H new ATOM 0 HB2 ALA A 23 78.331 24.334 30.772 1.00 1.00 H new ATOM 0 HB3 ALA A 23 78.338 22.939 29.666 1.00 1.00 H new ATOM 362 N GLY A 24 77.019 25.114 26.767 1.00 1.00 N ATOM 363 CA GLY A 24 77.021 24.917 25.346 1.00 1.00 C ATOM 364 C GLY A 24 78.348 24.529 24.787 1.00 1.00 C ATOM 365 O GLY A 24 79.355 24.397 25.479 1.00 1.00 O ATOM 0 H GLY A 24 77.119 26.092 27.037 1.00 1.00 H new ATOM 0 HA2 GLY A 24 76.294 24.145 25.096 1.00 1.00 H new ATOM 0 HA3 GLY A 24 76.689 25.836 24.862 1.00 1.00 H new ATOM 416 N VAL A 29 77.705 29.235 29.673 1.00 1.00 N ATOM 417 CA VAL A 29 77.111 28.436 30.709 1.00 1.00 C ATOM 418 C VAL A 29 76.167 29.219 31.571 1.00 1.00 C ATOM 419 O VAL A 29 76.476 30.317 32.029 1.00 1.00 O ATOM 420 CB VAL A 29 78.174 27.737 31.521 1.00 1.00 C ATOM 421 CG1 VAL A 29 79.176 28.723 32.151 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.575 26.812 32.595 1.00 1.00 C ATOM 0 HA VAL A 29 76.505 27.672 30.222 1.00 1.00 H new ATOM 0 HB VAL A 29 78.724 27.114 30.815 1.00 1.00 H new ATOM 0 HG11 VAL A 29 79.920 28.169 32.724 1.00 1.00 H new ATOM 0 HG12 VAL A 29 79.673 29.290 31.364 1.00 1.00 H new ATOM 0 HG13 VAL A 29 78.645 29.409 32.812 1.00 1.00 H new ATOM 0 HG21 VAL A 29 78.380 26.332 33.152 1.00 1.00 H new ATOM 0 HG22 VAL A 29 76.960 27.398 33.278 1.00 1.00 H new ATOM 0 HG23 VAL A 29 76.960 26.049 32.117 1.00 1.00 H new ATOM 432 N VAL A 30 74.942 28.711 31.810 1.00 1.00 N ATOM 433 CA VAL A 30 73.986 29.288 32.715 1.00 1.00 C ATOM 434 C VAL A 30 73.444 28.280 33.684 1.00 1.00 C ATOM 435 O VAL A 30 73.207 27.131 33.310 1.00 1.00 O ATOM 436 CB VAL A 30 72.924 30.094 32.010 1.00 1.00 C ATOM 437 CG1 VAL A 30 71.702 29.271 31.579 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.403 31.219 32.917 1.00 1.00 C ATOM 0 H VAL A 30 74.602 27.864 31.355 1.00 1.00 H new ATOM 0 HA VAL A 30 74.526 30.014 33.323 1.00 1.00 H new ATOM 0 HB VAL A 30 73.418 30.482 31.119 1.00 1.00 H new ATOM 0 HG11 VAL A 30 70.984 29.921 31.079 1.00 1.00 H new ATOM 0 HG12 VAL A 30 72.017 28.484 30.894 1.00 1.00 H new ATOM 0 HG13 VAL A 30 71.237 28.823 32.457 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.638 31.788 32.388 1.00 1.00 H new ATOM 0 HG22 VAL A 30 71.974 30.788 33.822 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.226 31.881 33.185 1.00 1.00 H new ATOM 448 N GLN A 31 73.268 28.623 34.975 1.00 1.00 N ATOM 449 CA GLN A 31 72.674 27.754 35.953 1.00 1.00 C ATOM 450 C GLN A 31 71.329 28.177 36.459 1.00 1.00 C ATOM 451 O GLN A 31 70.970 29.343 36.623 1.00 1.00 O ATOM 452 CB GLN A 31 73.614 27.480 37.144 1.00 1.00 C ATOM 453 CG GLN A 31 73.578 28.454 38.330 1.00 1.00 C ATOM 454 CD GLN A 31 72.824 27.939 39.552 1.00 1.00 C ATOM 455 OE1 GLN A 31 73.447 27.426 40.483 1.00 1.00 O ATOM 456 NE2 GLN A 31 71.472 28.077 39.578 1.00 1.00 N ATOM 0 H GLN A 31 73.546 29.529 35.351 1.00 1.00 H new ATOM 0 HA GLN A 31 72.511 26.832 35.395 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.390 26.483 37.524 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.635 27.454 36.764 1.00 1.00 H new ATOM 0 HG2 GLN A 31 74.602 28.687 38.623 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.119 29.387 38.003 1.00 1.00 H new ATOM 0 HE21 GLN A 31 70.988 28.507 38.790 1.00 1.00 H new ATOM 0 HE22 GLN A 31 70.942 27.751 40.386 1.00 1.00 H new ATOM 465 N PHE A 32 70.498 27.175 36.793 1.00 1.00 N ATOM 466 CA PHE A 32 69.116 27.360 37.118 1.00 1.00 C ATOM 467 C PHE A 32 68.831 26.588 38.370 1.00 1.00 C ATOM 468 O PHE A 32 69.338 25.482 38.551 1.00 1.00 O ATOM 469 CB PHE A 32 68.219 26.845 35.973 1.00 1.00 C ATOM 470 CG PHE A 32 68.759 26.958 34.583 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.717 26.070 34.126 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.213 27.846 33.675 1.00 1.00 C ATOM 473 CE1 PHE A 32 70.142 26.078 32.812 1.00 1.00 C ATOM 474 CE2 PHE A 32 68.612 27.853 32.351 1.00 1.00 C ATOM 475 CZ PHE A 32 69.566 26.954 31.913 1.00 1.00 C ATOM 0 H PHE A 32 70.797 26.201 36.839 1.00 1.00 H new ATOM 0 HA PHE A 32 68.906 28.420 37.263 1.00 1.00 H new ATOM 0 HB2 PHE A 32 67.994 25.796 36.165 1.00 1.00 H new ATOM 0 HB3 PHE A 32 67.274 27.386 36.014 1.00 1.00 H new ATOM 0 HD1 PHE A 32 70.142 25.354 34.813 1.00 1.00 H new ATOM 0 HD2 PHE A 32 67.461 28.547 34.006 1.00 1.00 H new ATOM 0 HE1 PHE A 32 70.921 25.403 32.489 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.178 28.560 31.660 1.00 1.00 H new ATOM 0 HZ PHE A 32 69.859 26.937 30.874 1.00 1.00 H new ATOM 485 N LYS A 33 68.016 27.133 39.290 1.00 1.00 N ATOM 486 CA LYS A 33 67.652 26.555 40.552 1.00 1.00 C ATOM 487 C LYS A 33 66.253 26.029 40.472 1.00 1.00 C ATOM 488 O LYS A 33 65.303 26.769 40.217 1.00 1.00 O ATOM 489 CB LYS A 33 67.690 27.611 41.671 1.00 1.00 C ATOM 490 CG LYS A 33 67.550 27.046 43.090 1.00 1.00 C ATOM 491 CD LYS A 33 67.437 28.170 44.126 1.00 1.00 C ATOM 492 CE LYS A 33 66.025 28.755 44.209 1.00 1.00 C ATOM 493 NZ LYS A 33 66.048 30.061 44.899 1.00 1.00 N ATOM 0 H LYS A 33 67.579 28.043 39.143 1.00 1.00 H new ATOM 0 HA LYS A 33 68.361 25.758 40.774 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.630 28.158 41.604 1.00 1.00 H new ATOM 0 HB3 LYS A 33 66.889 28.331 41.500 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.668 26.408 43.145 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.412 26.420 43.322 1.00 1.00 H new ATOM 0 HD2 LYS A 33 67.726 27.787 45.105 1.00 1.00 H new ATOM 0 HD3 LYS A 33 68.141 28.963 43.874 1.00 1.00 H new ATOM 0 HE2 LYS A 33 65.614 28.874 43.206 1.00 1.00 H new ATOM 0 HE3 LYS A 33 65.370 28.066 44.742 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 65.083 30.318 45.189 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 66.657 29.999 45.740 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 66.421 30.787 44.255 1.00 1.00 H new ATOM 507 N ILE A 34 66.123 24.707 40.677 1.00 1.00 N ATOM 508 CA ILE A 34 65.110 23.843 40.148 1.00 1.00 C ATOM 509 C ILE A 34 64.800 22.725 41.085 1.00 1.00 C ATOM 510 O ILE A 34 65.533 22.335 41.990 1.00 1.00 O ATOM 511 CB ILE A 34 65.441 23.303 38.781 1.00 1.00 C ATOM 512 CG1 ILE A 34 64.439 22.356 38.089 1.00 1.00 C ATOM 513 CG2 ILE A 34 66.855 22.699 38.820 1.00 1.00 C ATOM 514 CD1 ILE A 34 64.628 22.245 36.575 1.00 1.00 C ATOM 0 H ILE A 34 66.784 24.198 41.264 1.00 1.00 H new ATOM 0 HA ILE A 34 64.223 24.466 40.037 1.00 1.00 H new ATOM 0 HB ILE A 34 65.374 24.175 38.130 1.00 1.00 H new ATOM 0 HG12 ILE A 34 64.530 21.363 38.529 1.00 1.00 H new ATOM 0 HG13 ILE A 34 63.426 22.704 38.293 1.00 1.00 H new ATOM 0 HG21 ILE A 34 67.109 22.304 37.837 1.00 1.00 H new ATOM 0 HG22 ILE A 34 67.573 23.471 39.097 1.00 1.00 H new ATOM 0 HG23 ILE A 34 66.887 21.894 39.554 1.00 1.00 H new ATOM 0 HD11 ILE A 34 63.885 21.561 36.165 1.00 1.00 H new ATOM 0 HD12 ILE A 34 64.506 23.228 36.120 1.00 1.00 H new ATOM 0 HD13 ILE A 34 65.627 21.867 36.360 1.00 1.00 H new ATOM 526 N LYS A 35 63.565 22.236 40.920 1.00 1.00 N ATOM 527 CA LYS A 35 63.003 21.211 41.750 1.00 1.00 C ATOM 528 C LYS A 35 62.959 19.885 41.059 1.00 1.00 C ATOM 529 O LYS A 35 63.087 19.787 39.839 1.00 1.00 O ATOM 530 CB LYS A 35 61.639 21.633 42.320 1.00 1.00 C ATOM 531 CG LYS A 35 61.723 22.999 43.011 1.00 1.00 C ATOM 532 CD LYS A 35 61.232 24.154 42.133 1.00 1.00 C ATOM 533 CE LYS A 35 59.710 24.058 42.012 1.00 1.00 C ATOM 534 NZ LYS A 35 59.112 25.267 41.413 1.00 1.00 N ATOM 0 H LYS A 35 62.933 22.560 40.188 1.00 1.00 H new ATOM 0 HA LYS A 35 63.670 21.080 42.602 1.00 1.00 H new ATOM 0 HB2 LYS A 35 60.904 21.674 41.517 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.292 20.884 43.032 1.00 1.00 H new ATOM 0 HG2 LYS A 35 61.133 22.972 43.927 1.00 1.00 H new ATOM 0 HG3 LYS A 35 62.756 23.188 43.303 1.00 1.00 H new ATOM 0 HD2 LYS A 35 61.518 25.111 42.571 1.00 1.00 H new ATOM 0 HD3 LYS A 35 61.694 24.104 41.147 1.00 1.00 H new ATOM 0 HE2 LYS A 35 59.451 23.190 41.405 1.00 1.00 H new ATOM 0 HE3 LYS A 35 59.280 23.896 43.000 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 58.080 25.151 41.354 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 59.334 26.093 42.004 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 59.500 25.410 40.459 1.00 1.00 H new ATOM 548 N ARG A 36 62.844 18.792 41.834 1.00 1.00 N ATOM 549 CA ARG A 36 63.074 17.451 41.374 1.00 1.00 C ATOM 550 C ARG A 36 62.173 16.963 40.281 1.00 1.00 C ATOM 551 O ARG A 36 62.617 16.260 39.373 1.00 1.00 O ATOM 552 CB ARG A 36 63.035 16.457 42.552 1.00 1.00 C ATOM 553 CG ARG A 36 64.044 16.731 43.678 1.00 1.00 C ATOM 554 CD ARG A 36 65.506 16.472 43.307 1.00 1.00 C ATOM 555 NE ARG A 36 66.339 16.778 44.509 1.00 1.00 N ATOM 556 CZ ARG A 36 67.515 16.149 44.763 1.00 1.00 C ATOM 557 NH1 ARG A 36 68.034 15.235 43.907 1.00 1.00 N ATOM 558 NH2 ARG A 36 68.233 16.438 45.875 1.00 1.00 N ATOM 0 H ARG A 36 62.581 18.840 42.818 1.00 1.00 H new ATOM 0 HA ARG A 36 64.067 17.497 40.926 1.00 1.00 H new ATOM 0 HB2 ARG A 36 62.031 16.462 42.977 1.00 1.00 H new ATOM 0 HB3 ARG A 36 63.212 15.454 42.165 1.00 1.00 H new ATOM 0 HG2 ARG A 36 63.942 17.770 43.993 1.00 1.00 H new ATOM 0 HG3 ARG A 36 63.786 16.111 44.536 1.00 1.00 H new ATOM 0 HD2 ARG A 36 65.645 15.436 42.999 1.00 1.00 H new ATOM 0 HD3 ARG A 36 65.804 17.097 42.466 1.00 1.00 H new ATOM 0 HE ARG A 36 66.011 17.487 45.165 1.00 1.00 H new ATOM 0 HH11 ARG A 36 67.539 15.004 43.046 1.00 1.00 H new ATOM 0 HH12 ARG A 36 68.920 14.778 44.124 1.00 1.00 H new ATOM 0 HH21 ARG A 36 67.892 17.137 46.535 1.00 1.00 H new ATOM 0 HH22 ARG A 36 69.115 15.957 46.052 1.00 1.00 H new ATOM 572 N HIS A 37 60.873 17.309 40.289 1.00 1.00 N ATOM 573 CA HIS A 37 59.939 16.885 39.287 1.00 1.00 C ATOM 574 C HIS A 37 59.689 17.910 38.228 1.00 1.00 C ATOM 575 O HIS A 37 59.059 17.605 37.217 1.00 1.00 O ATOM 576 CB HIS A 37 58.592 16.510 39.930 1.00 1.00 C ATOM 577 CG HIS A 37 58.779 15.457 40.982 1.00 1.00 C ATOM 578 ND1 HIS A 37 58.733 15.749 42.319 1.00 1.00 N ATOM 579 CD2 HIS A 37 59.215 14.176 40.873 1.00 1.00 C ATOM 580 CE1 HIS A 37 59.136 14.695 43.004 1.00 1.00 C ATOM 581 NE2 HIS A 37 59.440 13.732 42.150 1.00 1.00 N ATOM 0 H HIS A 37 60.458 17.899 41.010 1.00 1.00 H new ATOM 0 HA HIS A 37 60.398 16.020 38.808 1.00 1.00 H new ATOM 0 HB2 HIS A 37 58.136 17.396 40.373 1.00 1.00 H new ATOM 0 HB3 HIS A 37 57.907 16.148 39.164 1.00 1.00 H new ATOM 0 HD2 HIS A 37 59.357 13.617 39.960 1.00 1.00 H new ATOM 0 HE1 HIS A 37 59.206 14.630 44.080 1.00 1.00 H new ATOM 0 HE2 HIS A 37 59.787 12.806 42.402 1.00 1.00 H new ATOM 590 N THR A 38 60.171 19.155 38.403 1.00 1.00 N ATOM 591 CA THR A 38 60.083 20.217 37.439 1.00 1.00 C ATOM 592 C THR A 38 60.814 19.872 36.177 1.00 1.00 C ATOM 593 O THR A 38 62.007 19.583 36.263 1.00 1.00 O ATOM 594 CB THR A 38 60.666 21.498 37.975 1.00 1.00 C ATOM 595 OG1 THR A 38 60.016 21.903 39.172 1.00 1.00 O ATOM 596 CG2 THR A 38 60.568 22.686 37.005 1.00 1.00 C ATOM 0 H THR A 38 60.647 19.438 39.260 1.00 1.00 H new ATOM 0 HA THR A 38 59.022 20.352 37.230 1.00 1.00 H new ATOM 0 HB THR A 38 61.716 21.258 38.142 1.00 1.00 H new ATOM 0 HG1 THR A 38 60.417 22.736 39.496 1.00 1.00 H new ATOM 0 HG21 THR A 38 61.010 23.569 37.466 1.00 1.00 H new ATOM 0 HG22 THR A 38 61.104 22.450 36.086 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.521 22.882 36.775 1.00 1.00 H new ATOM 604 N PRO A 39 60.253 19.832 34.996 1.00 1.00 N ATOM 605 CA PRO A 39 60.911 19.261 33.849 1.00 1.00 C ATOM 606 C PRO A 39 62.014 20.100 33.292 1.00 1.00 C ATOM 607 O PRO A 39 62.083 21.308 33.515 1.00 1.00 O ATOM 608 CB PRO A 39 59.792 19.071 32.822 1.00 1.00 C ATOM 609 CG PRO A 39 58.755 20.140 33.196 1.00 1.00 C ATOM 610 CD PRO A 39 58.858 20.152 34.726 1.00 1.00 C ATOM 0 HA PRO A 39 61.411 18.333 34.125 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.157 19.209 31.804 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.368 18.068 32.875 1.00 1.00 H new ATOM 0 HG2 PRO A 39 58.994 21.111 32.762 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.754 19.876 32.855 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.587 21.125 35.135 1.00 1.00 H new ATOM 0 HD3 PRO A 39 58.188 19.419 35.175 1.00 1.00 H new ATOM 618 N LEU A 40 62.917 19.475 32.513 1.00 1.00 N ATOM 619 CA LEU A 40 64.022 20.130 31.874 1.00 1.00 C ATOM 620 C LEU A 40 63.642 21.196 30.893 1.00 1.00 C ATOM 621 O LEU A 40 64.368 22.158 30.648 1.00 1.00 O ATOM 622 CB LEU A 40 65.205 19.226 31.488 1.00 1.00 C ATOM 623 CG LEU A 40 65.026 18.317 30.263 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.748 18.882 29.029 1.00 1.00 C ATOM 625 CD2 LEU A 40 65.580 16.928 30.617 1.00 1.00 C ATOM 0 H LEU A 40 62.877 18.474 32.320 1.00 1.00 H new ATOM 0 HA LEU A 40 64.468 20.712 32.680 1.00 1.00 H new ATOM 0 HB2 LEU A 40 66.072 19.862 31.312 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.441 18.595 32.345 1.00 1.00 H new ATOM 0 HG LEU A 40 63.967 18.255 30.011 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.599 18.212 28.182 1.00 1.00 H new ATOM 0 HD12 LEU A 40 65.344 19.865 28.789 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.814 18.969 29.239 1.00 1.00 H new ATOM 0 HD21 LEU A 40 65.465 16.262 29.762 1.00 1.00 H new ATOM 0 HD22 LEU A 40 66.636 17.012 30.872 1.00 1.00 H new ATOM 0 HD23 LEU A 40 65.032 16.524 31.468 1.00 1.00 H new ATOM 637 N SER A 41 62.432 21.096 30.313 1.00 1.00 N ATOM 638 CA SER A 41 61.820 22.133 29.530 1.00 1.00 C ATOM 639 C SER A 41 61.743 23.475 30.197 1.00 1.00 C ATOM 640 O SER A 41 61.756 24.498 29.513 1.00 1.00 O ATOM 641 CB SER A 41 60.402 21.734 29.071 1.00 1.00 C ATOM 642 OG SER A 41 59.496 21.567 30.155 1.00 1.00 O ATOM 0 H SER A 41 61.854 20.259 30.391 1.00 1.00 H new ATOM 0 HA SER A 41 62.491 22.239 28.677 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.016 22.497 28.396 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.457 20.805 28.504 1.00 1.00 H new ATOM 0 HG SER A 41 58.614 21.317 29.809 1.00 1.00 H new ATOM 648 N LYS A 42 61.659 23.540 31.541 1.00 1.00 N ATOM 649 CA LYS A 42 61.533 24.769 32.275 1.00 1.00 C ATOM 650 C LYS A 42 62.780 25.594 32.202 1.00 1.00 C ATOM 651 O LYS A 42 62.759 26.780 31.872 1.00 1.00 O ATOM 652 CB LYS A 42 61.191 24.450 33.744 1.00 1.00 C ATOM 653 CG LYS A 42 60.955 25.640 34.684 1.00 1.00 C ATOM 654 CD LYS A 42 59.729 26.488 34.332 1.00 1.00 C ATOM 655 CE LYS A 42 60.079 27.875 33.794 1.00 1.00 C ATOM 656 NZ LYS A 42 58.876 28.503 33.208 1.00 1.00 N ATOM 0 H LYS A 42 61.679 22.713 32.137 1.00 1.00 H new ATOM 0 HA LYS A 42 60.732 25.355 31.824 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.296 23.828 33.755 1.00 1.00 H new ATOM 0 HB3 LYS A 42 62.001 23.849 34.157 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.844 25.267 35.702 1.00 1.00 H new ATOM 0 HG3 LYS A 42 61.839 26.278 34.673 1.00 1.00 H new ATOM 0 HD2 LYS A 42 59.133 25.959 33.589 1.00 1.00 H new ATOM 0 HD3 LYS A 42 59.107 26.598 35.220 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.471 28.498 34.598 1.00 1.00 H new ATOM 0 HE3 LYS A 42 60.863 27.796 33.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 59.119 29.446 32.844 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 58.520 27.912 32.430 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 58.141 28.593 33.938 1.00 1.00 H new ATOM 670 N LEU A 43 63.948 24.964 32.424 1.00 1.00 N ATOM 671 CA LEU A 43 65.216 25.616 32.272 1.00 1.00 C ATOM 672 C LEU A 43 65.536 25.943 30.847 1.00 1.00 C ATOM 673 O LEU A 43 66.167 26.960 30.568 1.00 1.00 O ATOM 674 CB LEU A 43 66.390 24.878 32.941 1.00 1.00 C ATOM 675 CG LEU A 43 66.722 23.469 32.422 1.00 1.00 C ATOM 676 CD1 LEU A 43 68.212 23.321 32.072 1.00 1.00 C ATOM 677 CD2 LEU A 43 66.224 22.404 33.409 1.00 1.00 C ATOM 0 H LEU A 43 64.015 23.988 32.713 1.00 1.00 H new ATOM 0 HA LEU A 43 65.095 26.555 32.812 1.00 1.00 H new ATOM 0 HB2 LEU A 43 67.282 25.496 32.835 1.00 1.00 H new ATOM 0 HB3 LEU A 43 66.179 24.804 34.008 1.00 1.00 H new ATOM 0 HG LEU A 43 66.188 23.312 31.485 1.00 1.00 H new ATOM 0 HD11 LEU A 43 68.402 22.311 31.710 1.00 1.00 H new ATOM 0 HD12 LEU A 43 68.477 24.040 31.297 1.00 1.00 H new ATOM 0 HD13 LEU A 43 68.815 23.507 32.961 1.00 1.00 H new ATOM 0 HD21 LEU A 43 66.467 21.412 33.027 1.00 1.00 H new ATOM 0 HD22 LEU A 43 66.707 22.549 34.375 1.00 1.00 H new ATOM 0 HD23 LEU A 43 65.144 22.493 33.526 1.00 1.00 H new ATOM 689 N MET A 44 65.078 25.138 29.870 1.00 1.00 N ATOM 690 CA MET A 44 65.250 25.414 28.473 1.00 1.00 C ATOM 691 C MET A 44 64.638 26.702 28.018 1.00 1.00 C ATOM 692 O MET A 44 65.276 27.487 27.319 1.00 1.00 O ATOM 693 CB MET A 44 64.671 24.254 27.638 1.00 1.00 C ATOM 694 CG MET A 44 64.738 24.426 26.115 1.00 1.00 C ATOM 695 SD MET A 44 63.993 23.044 25.198 1.00 1.00 S ATOM 696 CE MET A 44 62.269 23.557 25.450 1.00 1.00 C ATOM 0 H MET A 44 64.574 24.271 30.055 1.00 1.00 H new ATOM 0 HA MET A 44 66.325 25.514 28.320 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.202 23.340 27.905 1.00 1.00 H new ATOM 0 HB3 MET A 44 63.628 24.112 27.923 1.00 1.00 H new ATOM 0 HG2 MET A 44 64.231 25.351 25.839 1.00 1.00 H new ATOM 0 HG3 MET A 44 65.780 24.532 25.814 1.00 1.00 H new ATOM 0 HE1 MET A 44 61.621 23.002 24.771 1.00 1.00 H new ATOM 0 HE2 MET A 44 61.975 23.353 26.480 1.00 1.00 H new ATOM 0 HE3 MET A 44 62.174 24.624 25.251 1.00 1.00 H new ATOM 706 N LYS A 45 63.395 27.005 28.435 1.00 1.00 N ATOM 707 CA LYS A 45 62.772 28.264 28.138 1.00 1.00 C ATOM 708 C LYS A 45 63.452 29.418 28.809 1.00 1.00 C ATOM 709 O LYS A 45 63.656 30.477 28.216 1.00 1.00 O ATOM 710 CB LYS A 45 61.264 28.223 28.452 1.00 1.00 C ATOM 711 CG LYS A 45 60.474 29.354 27.783 1.00 1.00 C ATOM 712 CD LYS A 45 58.958 29.128 27.789 1.00 1.00 C ATOM 713 CE LYS A 45 58.331 29.201 29.182 1.00 1.00 C ATOM 714 NZ LYS A 45 56.864 29.037 29.121 1.00 1.00 N ATOM 0 H LYS A 45 62.814 26.372 28.984 1.00 1.00 H new ATOM 0 HA LYS A 45 62.885 28.430 27.067 1.00 1.00 H new ATOM 0 HB2 LYS A 45 60.858 27.265 28.128 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.123 28.280 29.531 1.00 1.00 H new ATOM 0 HG2 LYS A 45 60.695 30.292 28.292 1.00 1.00 H new ATOM 0 HG3 LYS A 45 60.813 29.463 26.753 1.00 1.00 H new ATOM 0 HD2 LYS A 45 58.486 29.873 27.148 1.00 1.00 H new ATOM 0 HD3 LYS A 45 58.743 28.152 27.354 1.00 1.00 H new ATOM 0 HE2 LYS A 45 58.759 28.425 29.817 1.00 1.00 H new ATOM 0 HE3 LYS A 45 58.573 30.159 29.642 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 56.468 29.091 30.081 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 56.454 29.792 28.535 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 56.635 28.112 28.704 1.00 1.00 H new ATOM 728 N ALA A 46 63.908 29.231 30.061 1.00 1.00 N ATOM 729 CA ALA A 46 64.669 30.214 30.779 1.00 1.00 C ATOM 730 C ALA A 46 66.000 30.530 30.167 1.00 1.00 C ATOM 731 O ALA A 46 66.441 31.678 30.127 1.00 1.00 O ATOM 732 CB ALA A 46 64.834 29.769 32.243 1.00 1.00 C ATOM 0 H ALA A 46 63.745 28.375 30.590 1.00 1.00 H new ATOM 0 HA ALA A 46 64.102 31.144 30.727 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.412 30.516 32.787 1.00 1.00 H new ATOM 0 HB2 ALA A 46 63.852 29.663 32.704 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.355 28.812 32.276 1.00 1.00 H new ATOM 738 N TYR A 47 66.692 29.510 29.623 1.00 1.00 N ATOM 739 CA TYR A 47 67.925 29.618 28.896 1.00 1.00 C ATOM 740 C TYR A 47 67.776 30.458 27.665 1.00 1.00 C ATOM 741 O TYR A 47 68.587 31.338 27.382 1.00 1.00 O ATOM 742 CB TYR A 47 68.410 28.200 28.526 1.00 1.00 C ATOM 743 CG TYR A 47 69.833 28.036 28.097 1.00 1.00 C ATOM 744 CD1 TYR A 47 70.820 28.977 28.332 1.00 1.00 C ATOM 745 CD2 TYR A 47 70.189 26.853 27.471 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.128 28.755 27.937 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.492 26.623 27.066 1.00 1.00 C ATOM 748 CZ TYR A 47 72.463 27.580 27.294 1.00 1.00 C ATOM 749 OH TYR A 47 73.771 27.412 26.793 1.00 1.00 O ATOM 0 H TYR A 47 66.369 28.545 29.696 1.00 1.00 H new ATOM 0 HA TYR A 47 68.661 30.113 29.530 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.244 27.555 29.389 1.00 1.00 H new ATOM 0 HB3 TYR A 47 67.774 27.828 27.723 1.00 1.00 H new ATOM 0 HD1 TYR A 47 70.566 29.900 28.832 1.00 1.00 H new ATOM 0 HD2 TYR A 47 69.437 26.098 27.296 1.00 1.00 H new ATOM 0 HE1 TYR A 47 72.885 29.500 28.132 1.00 1.00 H new ATOM 0 HE2 TYR A 47 71.750 25.697 26.573 1.00 1.00 H new ATOM 0 HH TYR A 47 73.848 26.532 26.369 1.00 1.00 H new ATOM 759 N CYS A 48 66.679 30.263 26.913 1.00 1.00 N ATOM 760 CA CYS A 48 66.329 31.066 25.776 1.00 1.00 C ATOM 761 C CYS A 48 66.082 32.504 26.115 1.00 1.00 C ATOM 762 O CYS A 48 66.606 33.400 25.454 1.00 1.00 O ATOM 763 CB CYS A 48 65.098 30.485 25.054 1.00 1.00 C ATOM 764 SG CYS A 48 65.415 28.805 24.433 1.00 1.00 S ATOM 0 H CYS A 48 66.008 29.518 27.101 1.00 1.00 H new ATOM 0 HA CYS A 48 67.195 31.038 25.115 1.00 1.00 H new ATOM 0 HB2 CYS A 48 64.250 30.466 25.738 1.00 1.00 H new ATOM 0 HB3 CYS A 48 64.823 31.135 24.223 1.00 1.00 H new ATOM 0 HG CYS A 48 65.404 27.966 25.426 1.00 1.00 H new ATOM 770 N GLU A 49 65.335 32.789 27.197 1.00 1.00 N ATOM 771 CA GLU A 49 65.089 34.130 27.642 1.00 1.00 C ATOM 772 C GLU A 49 66.309 34.846 28.136 1.00 1.00 C ATOM 773 O GLU A 49 66.606 35.959 27.704 1.00 1.00 O ATOM 774 CB GLU A 49 64.008 34.153 28.740 1.00 1.00 C ATOM 775 CG GLU A 49 62.600 33.864 28.202 1.00 1.00 C ATOM 776 CD GLU A 49 61.486 34.072 29.217 1.00 1.00 C ATOM 777 OE1 GLU A 49 61.751 34.412 30.401 1.00 1.00 O ATOM 778 OE2 GLU A 49 60.300 33.911 28.825 1.00 1.00 O ATOM 0 H GLU A 49 64.892 32.075 27.776 1.00 1.00 H new ATOM 0 HA GLU A 49 64.745 34.665 26.757 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.258 33.416 29.503 1.00 1.00 H new ATOM 0 HB3 GLU A 49 64.012 35.129 29.226 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.415 34.505 27.340 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.564 32.834 27.847 1.00 1.00 H new ATOM 785 N ARG A 50 67.107 34.236 29.032 1.00 1.00 N ATOM 786 CA ARG A 50 68.286 34.867 29.553 1.00 1.00 C ATOM 787 C ARG A 50 69.418 35.001 28.587 1.00 1.00 C ATOM 788 O ARG A 50 70.075 36.038 28.513 1.00 1.00 O ATOM 789 CB ARG A 50 68.800 34.189 30.840 1.00 1.00 C ATOM 790 CG ARG A 50 68.370 34.964 32.089 1.00 1.00 C ATOM 791 CD ARG A 50 69.515 34.937 33.100 1.00 1.00 C ATOM 792 NE ARG A 50 69.170 35.834 34.238 1.00 1.00 N ATOM 793 CZ ARG A 50 70.062 36.644 34.862 1.00 1.00 C ATOM 794 NH1 ARG A 50 71.386 36.628 34.573 1.00 1.00 N ATOM 795 NH2 ARG A 50 69.594 37.491 35.811 1.00 1.00 N ATOM 0 H ARG A 50 66.936 33.300 29.399 1.00 1.00 H new ATOM 0 HA ARG A 50 67.942 35.877 29.777 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.419 33.169 30.893 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.887 34.121 30.808 1.00 1.00 H new ATOM 0 HG2 ARG A 50 68.120 35.992 31.828 1.00 1.00 H new ATOM 0 HG3 ARG A 50 67.474 34.518 32.521 1.00 1.00 H new ATOM 0 HD2 ARG A 50 69.680 33.920 33.457 1.00 1.00 H new ATOM 0 HD3 ARG A 50 70.442 35.264 32.629 1.00 1.00 H new ATOM 0 HE ARG A 50 68.205 35.840 34.568 1.00 1.00 H new ATOM 0 HH11 ARG A 50 71.745 35.990 33.863 1.00 1.00 H new ATOM 0 HH12 ARG A 50 72.023 37.254 35.066 1.00 1.00 H new ATOM 0 HH21 ARG A 50 68.599 37.505 36.036 1.00 1.00 H new ATOM 0 HH22 ARG A 50 70.237 38.114 36.300 1.00 1.00 H new ATOM 809 N GLN A 51 69.699 33.945 27.806 1.00 1.00 N ATOM 810 CA GLN A 51 70.942 33.816 27.103 1.00 1.00 C ATOM 811 C GLN A 51 70.776 33.841 25.615 1.00 1.00 C ATOM 812 O GLN A 51 71.741 33.709 24.864 1.00 1.00 O ATOM 813 CB GLN A 51 71.617 32.535 27.632 1.00 1.00 C ATOM 814 CG GLN A 51 72.189 32.637 29.054 1.00 1.00 C ATOM 815 CD GLN A 51 73.045 33.871 29.311 1.00 1.00 C ATOM 816 OE1 GLN A 51 72.763 34.689 30.187 1.00 1.00 O ATOM 817 NE2 GLN A 51 74.139 34.016 28.522 1.00 1.00 N ATOM 0 H GLN A 51 69.056 33.167 27.658 1.00 1.00 H new ATOM 0 HA GLN A 51 71.583 34.676 27.293 1.00 1.00 H new ATOM 0 HB2 GLN A 51 70.890 31.723 27.607 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.423 32.261 26.952 1.00 1.00 H new ATOM 0 HG2 GLN A 51 71.362 32.631 29.764 1.00 1.00 H new ATOM 0 HG3 GLN A 51 72.788 31.748 29.254 1.00 1.00 H new ATOM 0 HE21 GLN A 51 74.346 33.321 27.805 1.00 1.00 H new ATOM 0 HE22 GLN A 51 74.754 34.820 28.646 1.00 1.00 H new ATOM 826 N GLY A 52 69.548 34.107 25.132 1.00 1.00 N ATOM 827 CA GLY A 52 69.264 34.527 23.787 1.00 1.00 C ATOM 828 C GLY A 52 69.158 33.460 22.748 1.00 1.00 C ATOM 829 O GLY A 52 69.113 33.728 21.549 1.00 1.00 O ATOM 0 H GLY A 52 68.709 34.026 25.706 1.00 1.00 H new ATOM 0 HA2 GLY A 52 68.327 35.083 23.797 1.00 1.00 H new ATOM 0 HA3 GLY A 52 70.044 35.223 23.478 1.00 1.00 H new ATOM 833 N LEU A 53 69.144 32.183 23.163 1.00 1.00 N ATOM 834 CA LEU A 53 69.145 31.055 22.277 1.00 1.00 C ATOM 835 C LEU A 53 67.778 30.739 21.758 1.00 1.00 C ATOM 836 O LEU A 53 66.773 31.166 22.324 1.00 1.00 O ATOM 837 CB LEU A 53 69.748 29.822 22.974 1.00 1.00 C ATOM 838 CG LEU A 53 71.030 30.119 23.773 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.572 28.820 24.387 1.00 1.00 C ATOM 840 CD2 LEU A 53 72.145 30.782 22.948 1.00 1.00 C ATOM 0 H LEU A 53 69.132 31.923 24.149 1.00 1.00 H new ATOM 0 HA LEU A 53 69.764 31.322 21.420 1.00 1.00 H new ATOM 0 HB2 LEU A 53 69.003 29.397 23.647 1.00 1.00 H new ATOM 0 HB3 LEU A 53 69.968 29.064 22.222 1.00 1.00 H new ATOM 0 HG LEU A 53 70.741 30.833 24.544 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.479 29.035 24.951 1.00 1.00 H new ATOM 0 HD12 LEU A 53 70.823 28.392 25.053 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.799 28.109 23.593 1.00 1.00 H new ATOM 0 HD21 LEU A 53 73.013 30.958 23.584 1.00 1.00 H new ATOM 0 HD22 LEU A 53 72.426 30.127 22.123 1.00 1.00 H new ATOM 0 HD23 LEU A 53 71.788 31.732 22.551 1.00 1.00 H new ATOM 852 N SER A 54 67.684 30.008 20.633 1.00 1.00 N ATOM 853 CA SER A 54 66.437 29.510 20.122 1.00 1.00 C ATOM 854 C SER A 54 66.293 28.056 20.442 1.00 1.00 C ATOM 855 O SER A 54 67.218 27.270 20.254 1.00 1.00 O ATOM 856 CB SER A 54 66.310 29.701 18.600 1.00 1.00 C ATOM 857 OG SER A 54 65.940 31.039 18.293 1.00 1.00 O ATOM 0 H SER A 54 68.491 29.755 20.063 1.00 1.00 H new ATOM 0 HA SER A 54 65.646 30.085 20.603 1.00 1.00 H new ATOM 0 HB2 SER A 54 67.257 29.460 18.117 1.00 1.00 H new ATOM 0 HB3 SER A 54 65.565 29.012 18.202 1.00 1.00 H new ATOM 0 HG SER A 54 65.865 31.143 17.321 1.00 1.00 H new ATOM 863 N MET A 55 65.120 27.619 20.938 1.00 1.00 N ATOM 864 CA MET A 55 64.950 26.316 21.517 1.00 1.00 C ATOM 865 C MET A 55 65.095 25.159 20.579 1.00 1.00 C ATOM 866 O MET A 55 65.562 24.092 20.974 1.00 1.00 O ATOM 867 CB MET A 55 63.671 26.182 22.367 1.00 1.00 C ATOM 868 CG MET A 55 62.333 26.383 21.646 1.00 1.00 C ATOM 869 SD MET A 55 60.891 26.003 22.688 1.00 1.00 S ATOM 870 CE MET A 55 61.138 27.254 23.980 1.00 1.00 C ATOM 0 H MET A 55 64.269 28.182 20.938 1.00 1.00 H new ATOM 0 HA MET A 55 65.808 26.250 22.186 1.00 1.00 H new ATOM 0 HB2 MET A 55 63.667 25.190 22.819 1.00 1.00 H new ATOM 0 HB3 MET A 55 63.729 26.903 23.182 1.00 1.00 H new ATOM 0 HG2 MET A 55 62.264 27.416 21.304 1.00 1.00 H new ATOM 0 HG3 MET A 55 62.308 25.751 20.758 1.00 1.00 H new ATOM 0 HE1 MET A 55 60.208 27.398 24.529 1.00 1.00 H new ATOM 0 HE2 MET A 55 61.916 26.920 24.666 1.00 1.00 H new ATOM 0 HE3 MET A 55 61.438 28.196 23.522 1.00 1.00 H new ATOM 880 N ARG A 56 64.751 25.314 19.287 1.00 1.00 N ATOM 881 CA ARG A 56 64.909 24.268 18.316 1.00 1.00 C ATOM 882 C ARG A 56 66.317 24.112 17.832 1.00 1.00 C ATOM 883 O ARG A 56 66.683 23.101 17.232 1.00 1.00 O ATOM 884 CB ARG A 56 63.965 24.512 17.123 1.00 1.00 C ATOM 885 CG ARG A 56 64.394 25.639 16.177 1.00 1.00 C ATOM 886 CD ARG A 56 63.241 26.186 15.332 1.00 1.00 C ATOM 887 NE ARG A 56 63.818 27.186 14.387 1.00 1.00 N ATOM 888 CZ ARG A 56 63.925 28.512 14.657 1.00 1.00 C ATOM 889 NH1 ARG A 56 63.676 29.023 15.886 1.00 1.00 N ATOM 890 NH2 ARG A 56 64.339 29.354 13.680 1.00 1.00 N ATOM 0 H ARG A 56 64.358 26.176 18.908 1.00 1.00 H new ATOM 0 HA ARG A 56 64.650 23.336 18.818 1.00 1.00 H new ATOM 0 HB2 ARG A 56 63.882 23.589 16.550 1.00 1.00 H new ATOM 0 HB3 ARG A 56 62.970 24.739 17.507 1.00 1.00 H new ATOM 0 HG2 ARG A 56 64.825 26.452 16.762 1.00 1.00 H new ATOM 0 HG3 ARG A 56 65.178 25.271 15.516 1.00 1.00 H new ATOM 0 HD2 ARG A 56 62.749 25.381 14.786 1.00 1.00 H new ATOM 0 HD3 ARG A 56 62.485 26.649 15.967 1.00 1.00 H new ATOM 0 HE ARG A 56 64.153 26.853 13.483 1.00 1.00 H new ATOM 0 HH11 ARG A 56 63.397 28.405 16.648 1.00 1.00 H new ATOM 0 HH12 ARG A 56 63.767 30.026 16.050 1.00 1.00 H new ATOM 0 HH21 ARG A 56 64.566 28.989 12.755 1.00 1.00 H new ATOM 0 HH22 ARG A 56 64.424 30.353 13.869 1.00 1.00 H new ATOM 904 N GLN A 57 67.175 25.116 18.094 1.00 1.00 N ATOM 905 CA GLN A 57 68.525 25.174 17.614 1.00 1.00 C ATOM 906 C GLN A 57 69.487 24.573 18.590 1.00 1.00 C ATOM 907 O GLN A 57 70.627 24.271 18.242 1.00 1.00 O ATOM 908 CB GLN A 57 68.893 26.647 17.351 1.00 1.00 C ATOM 909 CG GLN A 57 68.110 27.225 16.163 1.00 1.00 C ATOM 910 CD GLN A 57 68.466 28.674 15.857 1.00 1.00 C ATOM 911 OE1 GLN A 57 69.429 29.259 16.354 1.00 1.00 O ATOM 912 NE2 GLN A 57 67.625 29.298 14.992 1.00 1.00 N ATOM 0 H GLN A 57 66.918 25.922 18.664 1.00 1.00 H new ATOM 0 HA GLN A 57 68.592 24.594 16.693 1.00 1.00 H new ATOM 0 HB2 GLN A 57 68.689 27.238 18.244 1.00 1.00 H new ATOM 0 HB3 GLN A 57 69.962 26.725 17.155 1.00 1.00 H new ATOM 0 HG2 GLN A 57 68.302 26.616 15.279 1.00 1.00 H new ATOM 0 HG3 GLN A 57 67.042 27.156 16.372 1.00 1.00 H new ATOM 0 HE21 GLN A 57 66.834 28.791 14.594 1.00 1.00 H new ATOM 0 HE22 GLN A 57 67.784 30.274 14.740 1.00 1.00 H new ATOM 921 N ILE A 58 69.047 24.315 19.835 1.00 1.00 N ATOM 922 CA ILE A 58 69.833 23.685 20.857 1.00 1.00 C ATOM 923 C ILE A 58 69.162 22.418 21.281 1.00 1.00 C ATOM 924 O ILE A 58 67.936 22.328 21.325 1.00 1.00 O ATOM 925 CB ILE A 58 70.070 24.566 22.057 1.00 1.00 C ATOM 926 CG1 ILE A 58 68.772 25.103 22.691 1.00 1.00 C ATOM 927 CG2 ILE A 58 71.000 25.710 21.612 1.00 1.00 C ATOM 928 CD1 ILE A 58 68.996 25.862 24.000 1.00 1.00 C ATOM 0 H ILE A 58 68.105 24.554 20.145 1.00 1.00 H new ATOM 0 HA ILE A 58 70.814 23.479 20.428 1.00 1.00 H new ATOM 0 HB ILE A 58 70.533 23.973 22.846 1.00 1.00 H new ATOM 0 HG12 ILE A 58 68.276 25.763 21.979 1.00 1.00 H new ATOM 0 HG13 ILE A 58 68.096 24.268 22.876 1.00 1.00 H new ATOM 0 HG21 ILE A 58 71.195 26.370 22.457 1.00 1.00 H new ATOM 0 HG22 ILE A 58 71.941 25.295 21.252 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.523 26.276 20.812 1.00 1.00 H new ATOM 0 HD11 ILE A 58 68.038 26.210 24.387 1.00 1.00 H new ATOM 0 HD12 ILE A 58 69.463 25.200 24.729 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.646 26.718 23.818 1.00 1.00 H new ATOM 940 N ARG A 59 69.938 21.366 21.595 1.00 1.00 N ATOM 941 CA ARG A 59 69.423 20.151 22.158 1.00 1.00 C ATOM 942 C ARG A 59 70.353 19.710 23.241 1.00 1.00 C ATOM 943 O ARG A 59 71.531 20.061 23.261 1.00 1.00 O ATOM 944 CB ARG A 59 69.288 19.015 21.127 1.00 1.00 C ATOM 945 CG ARG A 59 68.113 19.145 20.148 1.00 1.00 C ATOM 946 CD ARG A 59 66.708 18.935 20.725 1.00 1.00 C ATOM 947 NE ARG A 59 66.217 20.248 21.231 1.00 1.00 N ATOM 948 CZ ARG A 59 64.965 20.459 21.709 1.00 1.00 C ATOM 949 NH1 ARG A 59 64.099 19.440 21.919 1.00 1.00 N ATOM 950 NH2 ARG A 59 64.558 21.724 21.973 1.00 1.00 N ATOM 0 H ARG A 59 70.948 21.357 21.455 1.00 1.00 H new ATOM 0 HA ARG A 59 68.422 20.359 22.535 1.00 1.00 H new ATOM 0 HB2 ARG A 59 70.212 18.958 20.552 1.00 1.00 H new ATOM 0 HB3 ARG A 59 69.188 18.071 21.663 1.00 1.00 H new ATOM 0 HG2 ARG A 59 68.152 20.138 19.700 1.00 1.00 H new ATOM 0 HG3 ARG A 59 68.261 18.426 19.342 1.00 1.00 H new ATOM 0 HD2 ARG A 59 66.036 18.546 19.960 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.733 18.201 21.531 1.00 1.00 H new ATOM 0 HE ARG A 59 66.863 21.037 21.217 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.381 18.481 21.717 1.00 1.00 H new ATOM 0 HH12 ARG A 59 63.164 19.631 22.279 1.00 1.00 H new ATOM 0 HH21 ARG A 59 65.191 22.507 21.812 1.00 1.00 H new ATOM 0 HH22 ARG A 59 63.619 21.893 22.333 1.00 1.00 H new ATOM 964 N PHE A 60 69.827 18.937 24.208 1.00 1.00 N ATOM 965 CA PHE A 60 70.445 18.724 25.481 1.00 1.00 C ATOM 966 C PHE A 60 70.832 17.283 25.571 1.00 1.00 C ATOM 967 O PHE A 60 70.133 16.382 25.107 1.00 1.00 O ATOM 968 CB PHE A 60 69.482 19.080 26.633 1.00 1.00 C ATOM 969 CG PHE A 60 69.051 20.510 26.612 1.00 1.00 C ATOM 970 CD1 PHE A 60 68.065 20.939 25.739 1.00 1.00 C ATOM 971 CD2 PHE A 60 69.607 21.423 27.491 1.00 1.00 C ATOM 972 CE1 PHE A 60 67.690 22.269 25.693 1.00 1.00 C ATOM 973 CE2 PHE A 60 69.211 22.749 27.477 1.00 1.00 C ATOM 974 CZ PHE A 60 68.262 23.175 26.566 1.00 1.00 C ATOM 0 H PHE A 60 68.941 18.443 24.100 1.00 1.00 H new ATOM 0 HA PHE A 60 71.321 19.366 25.572 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.602 18.440 26.574 1.00 1.00 H new ATOM 0 HB3 PHE A 60 69.968 18.867 27.585 1.00 1.00 H new ATOM 0 HD1 PHE A 60 67.583 20.226 25.086 1.00 1.00 H new ATOM 0 HD2 PHE A 60 70.358 21.097 28.195 1.00 1.00 H new ATOM 0 HE1 PHE A 60 66.952 22.599 24.977 1.00 1.00 H new ATOM 0 HE2 PHE A 60 69.642 23.450 28.176 1.00 1.00 H new ATOM 0 HZ PHE A 60 67.968 24.214 26.537 1.00 1.00 H new ATOM 984 N ARG A 61 72.013 17.009 26.151 1.00 1.00 N ATOM 985 CA ARG A 61 72.558 15.692 26.293 1.00 1.00 C ATOM 986 C ARG A 61 72.974 15.483 27.713 1.00 1.00 C ATOM 987 O ARG A 61 73.401 16.409 28.402 1.00 1.00 O ATOM 988 CB ARG A 61 73.800 15.472 25.406 1.00 1.00 C ATOM 989 CG ARG A 61 73.543 15.793 23.929 1.00 1.00 C ATOM 990 CD ARG A 61 74.645 15.392 22.946 1.00 1.00 C ATOM 991 NE ARG A 61 75.896 16.121 23.303 1.00 1.00 N ATOM 992 CZ ARG A 61 77.024 16.119 22.546 1.00 1.00 C ATOM 993 NH1 ARG A 61 77.095 15.525 21.331 1.00 1.00 N ATOM 994 NH2 ARG A 61 78.114 16.747 23.050 1.00 1.00 N ATOM 0 H ARG A 61 72.615 17.735 26.538 1.00 1.00 H new ATOM 0 HA ARG A 61 71.782 14.989 25.989 1.00 1.00 H new ATOM 0 HB2 ARG A 61 74.616 16.095 25.771 1.00 1.00 H new ATOM 0 HB3 ARG A 61 74.126 14.436 25.496 1.00 1.00 H new ATOM 0 HG2 ARG A 61 72.619 15.299 23.627 1.00 1.00 H new ATOM 0 HG3 ARG A 61 73.376 16.866 23.836 1.00 1.00 H new ATOM 0 HD2 ARG A 61 74.812 14.315 22.984 1.00 1.00 H new ATOM 0 HD3 ARG A 61 74.346 15.632 21.926 1.00 1.00 H new ATOM 0 HE ARG A 61 75.905 16.656 24.172 1.00 1.00 H new ATOM 0 HH11 ARG A 61 76.278 15.052 20.946 1.00 1.00 H new ATOM 0 HH12 ARG A 61 77.966 15.551 20.801 1.00 1.00 H new ATOM 0 HH21 ARG A 61 78.066 17.197 23.964 1.00 1.00 H new ATOM 0 HH22 ARG A 61 78.982 16.770 22.515 1.00 1.00 H new ATOM 1008 N PHE A 62 72.903 14.224 28.180 1.00 1.00 N ATOM 1009 CA PHE A 62 73.628 13.811 29.345 1.00 1.00 C ATOM 1010 C PHE A 62 74.487 12.649 28.961 1.00 1.00 C ATOM 1011 O PHE A 62 73.986 11.576 28.630 1.00 1.00 O ATOM 1012 CB PHE A 62 72.701 13.451 30.522 1.00 1.00 C ATOM 1013 CG PHE A 62 73.469 13.109 31.759 1.00 1.00 C ATOM 1014 CD1 PHE A 62 74.400 13.992 32.279 1.00 1.00 C ATOM 1015 CD2 PHE A 62 73.287 11.886 32.381 1.00 1.00 C ATOM 1016 CE1 PHE A 62 75.160 13.645 33.381 1.00 1.00 C ATOM 1017 CE2 PHE A 62 74.025 11.545 33.500 1.00 1.00 C ATOM 1018 CZ PHE A 62 74.970 12.422 33.997 1.00 1.00 C ATOM 0 H PHE A 62 72.342 13.488 27.750 1.00 1.00 H new ATOM 0 HA PHE A 62 74.240 14.641 29.697 1.00 1.00 H new ATOM 0 HB2 PHE A 62 72.036 14.290 30.729 1.00 1.00 H new ATOM 0 HB3 PHE A 62 72.071 12.607 30.242 1.00 1.00 H new ATOM 0 HD1 PHE A 62 74.534 14.960 31.820 1.00 1.00 H new ATOM 0 HD2 PHE A 62 72.561 11.190 31.988 1.00 1.00 H new ATOM 0 HE1 PHE A 62 75.903 14.330 33.761 1.00 1.00 H new ATOM 0 HE2 PHE A 62 73.863 10.594 33.985 1.00 1.00 H new ATOM 0 HZ PHE A 62 75.557 12.153 34.863 1.00 1.00 H new ATOM 1028 N ASP A 63 75.822 12.826 28.959 1.00 1.00 N ATOM 1029 CA ASP A 63 76.798 11.808 28.697 1.00 1.00 C ATOM 1030 C ASP A 63 76.626 11.125 27.372 1.00 1.00 C ATOM 1031 O ASP A 63 76.671 9.904 27.238 1.00 1.00 O ATOM 1032 CB ASP A 63 76.902 10.871 29.917 1.00 1.00 C ATOM 1033 CG ASP A 63 78.249 10.177 30.006 1.00 1.00 C ATOM 1034 OD1 ASP A 63 79.287 10.812 29.679 1.00 1.00 O ATOM 1035 OD2 ASP A 63 78.293 8.991 30.427 1.00 1.00 O ATOM 0 H ASP A 63 76.246 13.734 29.152 1.00 1.00 H new ATOM 0 HA ASP A 63 77.772 12.281 28.575 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.733 11.446 30.828 1.00 1.00 H new ATOM 0 HB3 ASP A 63 76.113 10.120 29.862 1.00 1.00 H new ATOM 1040 N GLY A 64 76.390 11.936 26.324 1.00 1.00 N ATOM 1041 CA GLY A 64 76.123 11.490 24.985 1.00 1.00 C ATOM 1042 C GLY A 64 74.733 11.010 24.712 1.00 1.00 C ATOM 1043 O GLY A 64 74.441 10.617 23.585 1.00 1.00 O ATOM 0 H GLY A 64 76.385 12.952 26.412 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.343 12.310 24.301 1.00 1.00 H new ATOM 0 HA3 GLY A 64 76.816 10.683 24.748 1.00 1.00 H new ATOM 1047 N GLN A 65 73.819 11.047 25.699 1.00 1.00 N ATOM 1048 CA GLN A 65 72.495 10.508 25.579 1.00 1.00 C ATOM 1049 C GLN A 65 71.518 11.637 25.460 1.00 1.00 C ATOM 1050 O GLN A 65 71.542 12.510 26.327 1.00 1.00 O ATOM 1051 CB GLN A 65 72.115 9.701 26.837 1.00 1.00 C ATOM 1052 CG GLN A 65 73.103 8.584 27.194 1.00 1.00 C ATOM 1053 CD GLN A 65 72.891 8.102 28.625 1.00 1.00 C ATOM 1054 OE1 GLN A 65 72.308 7.046 28.876 1.00 1.00 O ATOM 1055 NE2 GLN A 65 73.366 8.911 29.606 1.00 1.00 N ATOM 0 H GLN A 65 74.005 11.465 26.611 1.00 1.00 H new ATOM 0 HA GLN A 65 72.469 9.860 24.703 1.00 1.00 H new ATOM 0 HB2 GLN A 65 72.037 10.384 27.683 1.00 1.00 H new ATOM 0 HB3 GLN A 65 71.128 9.263 26.689 1.00 1.00 H new ATOM 0 HG2 GLN A 65 72.979 7.750 26.504 1.00 1.00 H new ATOM 0 HG3 GLN A 65 74.124 8.946 27.076 1.00 1.00 H new ATOM 0 HE21 GLN A 65 73.844 9.779 29.364 1.00 1.00 H new ATOM 0 HE22 GLN A 65 73.245 8.651 30.585 1.00 1.00 H new ATOM 1064 N PRO A 66 70.658 11.735 24.479 1.00 1.00 N ATOM 1065 CA PRO A 66 69.574 12.683 24.460 1.00 1.00 C ATOM 1066 C PRO A 66 68.660 12.651 25.645 1.00 1.00 C ATOM 1067 O PRO A 66 68.232 11.575 26.061 1.00 1.00 O ATOM 1068 CB PRO A 66 68.822 12.372 23.164 1.00 1.00 C ATOM 1069 CG PRO A 66 69.921 11.842 22.234 1.00 1.00 C ATOM 1070 CD PRO A 66 70.798 11.041 23.205 1.00 1.00 C ATOM 0 HA PRO A 66 69.975 13.696 24.508 1.00 1.00 H new ATOM 0 HB2 PRO A 66 68.038 11.632 23.322 1.00 1.00 H new ATOM 0 HB3 PRO A 66 68.343 13.261 22.754 1.00 1.00 H new ATOM 0 HG2 PRO A 66 69.516 11.217 21.438 1.00 1.00 H new ATOM 0 HG3 PRO A 66 70.475 12.649 21.754 1.00 1.00 H new ATOM 0 HD2 PRO A 66 70.466 10.005 23.278 1.00 1.00 H new ATOM 0 HD3 PRO A 66 71.837 11.020 22.876 1.00 1.00 H new ATOM 1078 N ILE A 67 68.306 13.828 26.192 1.00 1.00 N ATOM 1079 CA ILE A 67 67.378 13.993 27.275 1.00 1.00 C ATOM 1080 C ILE A 67 66.264 14.841 26.749 1.00 1.00 C ATOM 1081 O ILE A 67 66.481 15.717 25.911 1.00 1.00 O ATOM 1082 CB ILE A 67 68.010 14.601 28.501 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.879 15.823 28.153 1.00 1.00 C ATOM 1084 CG2 ILE A 67 68.860 13.526 29.204 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.382 16.615 29.360 1.00 1.00 C ATOM 0 H ILE A 67 68.687 14.715 25.862 1.00 1.00 H new ATOM 0 HA ILE A 67 67.014 13.021 27.608 1.00 1.00 H new ATOM 0 HB ILE A 67 67.218 14.950 29.163 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.738 15.487 27.573 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.303 16.491 27.512 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.323 13.953 30.093 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.223 12.690 29.492 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.636 13.174 28.524 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.985 17.456 29.018 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.531 16.987 29.931 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.989 15.968 29.993 1.00 1.00 H new ATOM 1097 N ASN A 68 65.006 14.580 27.152 1.00 1.00 N ATOM 1098 CA ASN A 68 63.872 15.127 26.461 1.00 1.00 C ATOM 1099 C ASN A 68 63.157 16.125 27.312 1.00 1.00 C ATOM 1100 O ASN A 68 63.348 16.203 28.524 1.00 1.00 O ATOM 1101 CB ASN A 68 62.849 14.044 26.072 1.00 1.00 C ATOM 1102 CG ASN A 68 63.533 12.958 25.254 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.805 13.126 24.066 1.00 1.00 O ATOM 1104 ND2 ASN A 68 63.803 11.797 25.903 1.00 1.00 N ATOM 0 H ASN A 68 64.772 13.993 27.953 1.00 1.00 H new ATOM 0 HA ASN A 68 64.270 15.596 25.561 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.405 13.611 26.969 1.00 1.00 H new ATOM 0 HB3 ASN A 68 62.037 14.488 25.497 1.00 1.00 H new ATOM 0 HD21 ASN A 68 64.247 11.025 25.405 1.00 1.00 H new ATOM 0 HD22 ASN A 68 63.562 11.696 26.889 1.00 1.00 H new ATOM 1111 N GLU A 69 62.249 16.923 26.726 1.00 1.00 N ATOM 1112 CA GLU A 69 61.503 17.927 27.430 1.00 1.00 C ATOM 1113 C GLU A 69 60.550 17.396 28.456 1.00 1.00 C ATOM 1114 O GLU A 69 60.170 18.097 29.393 1.00 1.00 O ATOM 1115 CB GLU A 69 60.757 18.771 26.382 1.00 1.00 C ATOM 1116 CG GLU A 69 61.729 19.654 25.591 1.00 1.00 C ATOM 1117 CD GLU A 69 61.149 20.048 24.243 1.00 1.00 C ATOM 1118 OE1 GLU A 69 60.082 20.715 24.183 1.00 1.00 O ATOM 1119 OE2 GLU A 69 61.754 19.670 23.205 1.00 1.00 O ATOM 0 H GLU A 69 62.024 16.871 25.732 1.00 1.00 H new ATOM 0 HA GLU A 69 62.212 18.523 28.004 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.218 18.115 25.698 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.013 19.396 26.876 1.00 1.00 H new ATOM 0 HG2 GLU A 69 61.958 20.551 26.166 1.00 1.00 H new ATOM 0 HG3 GLU A 69 62.668 19.121 25.443 1.00 1.00 H new ATOM 1126 N THR A 70 60.147 16.118 28.334 1.00 1.00 N ATOM 1127 CA THR A 70 59.382 15.395 29.312 1.00 1.00 C ATOM 1128 C THR A 70 60.229 14.816 30.406 1.00 1.00 C ATOM 1129 O THR A 70 59.728 14.473 31.474 1.00 1.00 O ATOM 1130 CB THR A 70 58.556 14.327 28.642 1.00 1.00 C ATOM 1131 OG1 THR A 70 57.662 14.939 27.724 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.660 13.522 29.597 1.00 1.00 C ATOM 0 H THR A 70 60.365 15.557 27.511 1.00 1.00 H new ATOM 0 HA THR A 70 58.716 16.112 29.792 1.00 1.00 H new ATOM 0 HB THR A 70 59.281 13.655 28.184 1.00 1.00 H new ATOM 0 HG1 THR A 70 57.123 14.249 27.283 1.00 1.00 H new ATOM 0 HG21 THR A 70 57.102 12.776 29.031 1.00 1.00 H new ATOM 0 HG22 THR A 70 58.279 13.023 30.343 1.00 1.00 H new ATOM 0 HG23 THR A 70 56.963 14.195 30.096 1.00 1.00 H new ATOM 1140 N ASP A 71 61.564 14.724 30.246 1.00 1.00 N ATOM 1141 CA ASP A 71 62.458 14.251 31.262 1.00 1.00 C ATOM 1142 C ASP A 71 62.715 15.275 32.327 1.00 1.00 C ATOM 1143 O ASP A 71 62.337 16.443 32.245 1.00 1.00 O ATOM 1144 CB ASP A 71 63.768 13.734 30.637 1.00 1.00 C ATOM 1145 CG ASP A 71 63.551 12.383 29.978 1.00 1.00 C ATOM 1146 OD1 ASP A 71 63.293 11.392 30.712 1.00 1.00 O ATOM 1147 OD2 ASP A 71 63.639 12.280 28.726 1.00 1.00 O ATOM 0 H ASP A 71 62.037 14.987 29.381 1.00 1.00 H new ATOM 0 HA ASP A 71 61.967 13.415 31.761 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.132 14.450 29.900 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.536 13.650 31.406 1.00 1.00 H new ATOM 1152 N THR A 72 63.349 14.845 33.434 1.00 1.00 N ATOM 1153 CA THR A 72 63.252 15.529 34.696 1.00 1.00 C ATOM 1154 C THR A 72 64.516 15.370 35.482 1.00 1.00 C ATOM 1155 O THR A 72 65.260 14.423 35.233 1.00 1.00 O ATOM 1156 CB THR A 72 62.095 15.170 35.603 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.109 13.825 36.058 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.735 15.392 34.920 1.00 1.00 C ATOM 0 H THR A 72 63.938 14.012 33.458 1.00 1.00 H new ATOM 0 HA THR A 72 63.067 16.557 34.386 1.00 1.00 H new ATOM 0 HB THR A 72 62.225 15.837 36.455 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.335 13.668 36.638 1.00 1.00 H new ATOM 0 HG21 THR A 72 59.934 15.121 35.608 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.635 16.441 34.641 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.671 14.771 34.026 1.00 1.00 H new ATOM 1166 N PRO A 73 64.825 16.209 36.439 1.00 1.00 N ATOM 1167 CA PRO A 73 65.924 16.000 37.346 1.00 1.00 C ATOM 1168 C PRO A 73 65.854 14.752 38.166 1.00 1.00 C ATOM 1169 O PRO A 73 66.903 14.223 38.530 1.00 1.00 O ATOM 1170 CB PRO A 73 65.931 17.238 38.245 1.00 1.00 C ATOM 1171 CG PRO A 73 65.343 18.342 37.358 1.00 1.00 C ATOM 1172 CD PRO A 73 64.298 17.564 36.550 1.00 1.00 C ATOM 0 HA PRO A 73 66.840 15.864 36.770 1.00 1.00 H new ATOM 0 HB2 PRO A 73 65.331 17.084 39.142 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.940 17.486 38.575 1.00 1.00 H new ATOM 0 HG2 PRO A 73 64.894 19.143 37.945 1.00 1.00 H new ATOM 0 HG3 PRO A 73 66.098 18.800 36.719 1.00 1.00 H new ATOM 0 HD2 PRO A 73 63.330 17.569 37.051 1.00 1.00 H new ATOM 0 HD3 PRO A 73 64.150 18.010 35.566 1.00 1.00 H new ATOM 1180 N ALA A 74 64.646 14.272 38.512 1.00 1.00 N ATOM 1181 CA ALA A 74 64.446 13.025 39.193 1.00 1.00 C ATOM 1182 C ALA A 74 64.799 11.830 38.363 1.00 1.00 C ATOM 1183 O ALA A 74 65.497 10.916 38.799 1.00 1.00 O ATOM 1184 CB ALA A 74 62.960 12.905 39.574 1.00 1.00 C ATOM 0 H ALA A 74 63.777 14.767 38.312 1.00 1.00 H new ATOM 0 HA ALA A 74 65.103 13.033 40.063 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.792 11.961 40.093 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.684 13.732 40.228 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.349 12.936 38.672 1.00 1.00 H new ATOM 1190 N GLN A 75 64.339 11.824 37.100 1.00 1.00 N ATOM 1191 CA GLN A 75 64.548 10.762 36.160 1.00 1.00 C ATOM 1192 C GLN A 75 65.955 10.657 35.668 1.00 1.00 C ATOM 1193 O GLN A 75 66.521 9.566 35.597 1.00 1.00 O ATOM 1194 CB GLN A 75 63.579 10.933 34.976 1.00 1.00 C ATOM 1195 CG GLN A 75 62.155 10.501 35.343 1.00 1.00 C ATOM 1196 CD GLN A 75 61.174 10.774 34.212 1.00 1.00 C ATOM 1197 OE1 GLN A 75 60.814 9.908 33.414 1.00 1.00 O ATOM 1198 NE2 GLN A 75 60.707 12.046 34.135 1.00 1.00 N ATOM 0 H GLN A 75 63.795 12.596 36.714 1.00 1.00 H new ATOM 0 HA GLN A 75 64.349 9.829 36.688 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.573 11.976 34.658 1.00 1.00 H new ATOM 0 HB3 GLN A 75 63.931 10.344 34.129 1.00 1.00 H new ATOM 0 HG2 GLN A 75 62.148 9.438 35.582 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.834 11.031 36.239 1.00 1.00 H new ATOM 0 HE21 GLN A 75 61.020 12.746 34.808 1.00 1.00 H new ATOM 0 HE22 GLN A 75 60.043 12.302 33.404 1.00 1.00 H new ATOM 1207 N LEU A 76 66.598 11.797 35.357 1.00 1.00 N ATOM 1208 CA LEU A 76 67.936 11.805 34.839 1.00 1.00 C ATOM 1209 C LEU A 76 68.946 11.746 35.944 1.00 1.00 C ATOM 1210 O LEU A 76 70.134 11.510 35.730 1.00 1.00 O ATOM 1211 CB LEU A 76 68.054 13.090 33.997 1.00 1.00 C ATOM 1212 CG LEU A 76 69.213 13.223 32.991 1.00 1.00 C ATOM 1213 CD1 LEU A 76 70.502 13.801 33.598 1.00 1.00 C ATOM 1214 CD2 LEU A 76 69.487 11.921 32.221 1.00 1.00 C ATOM 0 H LEU A 76 66.188 12.724 35.465 1.00 1.00 H new ATOM 0 HA LEU A 76 68.138 10.927 34.225 1.00 1.00 H new ATOM 0 HB2 LEU A 76 67.123 13.206 33.443 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.121 13.930 34.688 1.00 1.00 H new ATOM 0 HG LEU A 76 68.864 13.960 32.268 1.00 1.00 H new ATOM 0 HD11 LEU A 76 71.271 13.864 32.828 1.00 1.00 H new ATOM 0 HD12 LEU A 76 70.303 14.797 33.994 1.00 1.00 H new ATOM 0 HD13 LEU A 76 70.847 13.153 34.403 1.00 1.00 H new ATOM 0 HD21 LEU A 76 70.314 12.076 31.527 1.00 1.00 H new ATOM 0 HD22 LEU A 76 69.747 11.130 32.925 1.00 1.00 H new ATOM 0 HD23 LEU A 76 68.595 11.633 31.664 1.00 1.00 H new ATOM 1226 N GLU A 77 68.471 11.876 37.197 1.00 1.00 N ATOM 1227 CA GLU A 77 69.227 11.780 38.412 1.00 1.00 C ATOM 1228 C GLU A 77 70.272 12.845 38.536 1.00 1.00 C ATOM 1229 O GLU A 77 71.447 12.595 38.803 1.00 1.00 O ATOM 1230 CB GLU A 77 69.738 10.355 38.707 1.00 1.00 C ATOM 1231 CG GLU A 77 68.610 9.315 38.755 1.00 1.00 C ATOM 1232 CD GLU A 77 69.122 7.902 38.982 1.00 1.00 C ATOM 1233 OE1 GLU A 77 69.610 7.600 40.104 1.00 1.00 O ATOM 1234 OE2 GLU A 77 69.072 7.078 38.029 1.00 1.00 O ATOM 0 H GLU A 77 67.484 12.062 37.374 1.00 1.00 H new ATOM 0 HA GLU A 77 68.521 11.985 39.217 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.459 10.067 37.942 1.00 1.00 H new ATOM 0 HB3 GLU A 77 70.267 10.354 39.660 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.914 9.577 39.552 1.00 1.00 H new ATOM 0 HG3 GLU A 77 68.051 9.348 37.820 1.00 1.00 H new ATOM 1241 N MET A 78 69.869 14.104 38.286 1.00 1.00 N ATOM 1242 CA MET A 78 70.628 15.306 38.457 1.00 1.00 C ATOM 1243 C MET A 78 70.978 15.578 39.886 1.00 1.00 C ATOM 1244 O MET A 78 70.247 15.207 40.805 1.00 1.00 O ATOM 1245 CB MET A 78 69.830 16.479 37.859 1.00 1.00 C ATOM 1246 CG MET A 78 69.627 16.349 36.346 1.00 1.00 C ATOM 1247 SD MET A 78 68.690 17.733 35.635 1.00 1.00 S ATOM 1248 CE MET A 78 68.436 17.030 33.980 1.00 1.00 C ATOM 0 H MET A 78 68.931 14.296 37.934 1.00 1.00 H new ATOM 0 HA MET A 78 71.577 15.185 37.936 1.00 1.00 H new ATOM 0 HB2 MET A 78 68.857 16.537 38.348 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.350 17.413 38.072 1.00 1.00 H new ATOM 0 HG2 MET A 78 70.600 16.287 35.858 1.00 1.00 H new ATOM 0 HG3 MET A 78 69.104 15.416 36.134 1.00 1.00 H new ATOM 0 HE1 MET A 78 67.870 17.733 33.369 1.00 1.00 H new ATOM 0 HE2 MET A 78 69.402 16.840 33.513 1.00 1.00 H new ATOM 0 HE3 MET A 78 67.883 16.094 34.063 1.00 1.00 H new ATOM 1258 N GLU A 79 72.137 16.217 40.118 1.00 1.00 N ATOM 1259 CA GLU A 79 72.689 16.446 41.420 1.00 1.00 C ATOM 1260 C GLU A 79 72.431 17.856 41.846 1.00 1.00 C ATOM 1261 O GLU A 79 71.851 18.658 41.116 1.00 1.00 O ATOM 1262 CB GLU A 79 74.191 16.097 41.453 1.00 1.00 C ATOM 1263 CG GLU A 79 74.459 14.643 41.041 1.00 1.00 C ATOM 1264 CD GLU A 79 75.931 14.269 41.119 1.00 1.00 C ATOM 1265 OE1 GLU A 79 76.410 13.908 42.228 1.00 1.00 O ATOM 1266 OE2 GLU A 79 76.632 14.328 40.074 1.00 1.00 O ATOM 0 H GLU A 79 72.716 16.591 39.367 1.00 1.00 H new ATOM 0 HA GLU A 79 72.196 15.786 42.134 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.732 16.767 40.786 1.00 1.00 H new ATOM 0 HB3 GLU A 79 74.579 16.265 42.458 1.00 1.00 H new ATOM 0 HG2 GLU A 79 73.885 13.976 41.685 1.00 1.00 H new ATOM 0 HG3 GLU A 79 74.103 14.487 40.023 1.00 1.00 H new ATOM 1273 N ASP A 80 72.831 18.217 43.078 1.00 1.00 N ATOM 1274 CA ASP A 80 72.599 19.490 43.698 1.00 1.00 C ATOM 1275 C ASP A 80 73.173 20.690 43.007 1.00 1.00 C ATOM 1276 O ASP A 80 72.643 21.792 43.139 1.00 1.00 O ATOM 1277 CB ASP A 80 72.729 19.439 45.232 1.00 1.00 C ATOM 1278 CG ASP A 80 74.074 18.946 45.733 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.510 17.831 45.342 1.00 1.00 O ATOM 1280 OD2 ASP A 80 74.691 19.656 46.571 1.00 1.00 O ATOM 0 H ASP A 80 73.350 17.580 43.682 1.00 1.00 H new ATOM 0 HA ASP A 80 71.542 19.691 43.525 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.550 20.437 45.633 1.00 1.00 H new ATOM 0 HB3 ASP A 80 71.948 18.791 45.629 1.00 1.00 H new ATOM 1285 N GLU A 81 74.261 20.511 42.237 1.00 1.00 N ATOM 1286 CA GLU A 81 74.672 21.389 41.179 1.00 1.00 C ATOM 1287 C GLU A 81 75.053 20.555 39.991 1.00 1.00 C ATOM 1288 O GLU A 81 76.207 20.148 39.860 1.00 1.00 O ATOM 1289 CB GLU A 81 75.839 22.322 41.564 1.00 1.00 C ATOM 1290 CG GLU A 81 75.476 23.429 42.564 1.00 1.00 C ATOM 1291 CD GLU A 81 76.594 24.445 42.747 1.00 1.00 C ATOM 1292 OE1 GLU A 81 76.964 25.124 41.754 1.00 1.00 O ATOM 1293 OE2 GLU A 81 77.124 24.576 43.882 1.00 1.00 O ATOM 0 H GLU A 81 74.887 19.715 42.356 1.00 1.00 H new ATOM 0 HA GLU A 81 73.830 22.043 40.952 1.00 1.00 H new ATOM 0 HB2 GLU A 81 76.643 21.719 41.987 1.00 1.00 H new ATOM 0 HB3 GLU A 81 76.230 22.785 40.658 1.00 1.00 H new ATOM 0 HG2 GLU A 81 74.577 23.942 42.222 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.239 22.979 43.528 1.00 1.00 H new ATOM 1300 N ASP A 82 74.108 20.260 39.076 1.00 1.00 N ATOM 1301 CA ASP A 82 74.316 19.388 37.953 1.00 1.00 C ATOM 1302 C ASP A 82 74.990 20.046 36.786 1.00 1.00 C ATOM 1303 O ASP A 82 75.043 21.271 36.695 1.00 1.00 O ATOM 1304 CB ASP A 82 73.016 18.708 37.474 1.00 1.00 C ATOM 1305 CG ASP A 82 73.320 17.275 37.077 1.00 1.00 C ATOM 1306 OD1 ASP A 82 73.842 16.514 37.932 1.00 1.00 O ATOM 1307 OD2 ASP A 82 73.097 16.874 35.906 1.00 1.00 O ATOM 0 H ASP A 82 73.163 20.642 39.118 1.00 1.00 H new ATOM 0 HA ASP A 82 74.993 18.626 38.340 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.268 18.728 38.266 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.598 19.252 36.627 1.00 1.00 H new ATOM 1312 N THR A 83 75.525 19.250 35.840 1.00 1.00 N ATOM 1313 CA THR A 83 76.151 19.741 34.642 1.00 1.00 C ATOM 1314 C THR A 83 75.612 19.026 33.443 1.00 1.00 C ATOM 1315 O THR A 83 75.821 17.827 33.254 1.00 1.00 O ATOM 1316 CB THR A 83 77.651 19.610 34.630 1.00 1.00 C ATOM 1317 OG1 THR A 83 78.223 20.313 35.724 1.00 1.00 O ATOM 1318 CG2 THR A 83 78.262 20.237 33.366 1.00 1.00 C ATOM 0 H THR A 83 75.523 18.232 35.908 1.00 1.00 H new ATOM 0 HA THR A 83 75.915 20.805 34.614 1.00 1.00 H new ATOM 0 HB THR A 83 77.863 18.542 34.678 1.00 1.00 H new ATOM 0 HG1 THR A 83 79.198 20.216 35.702 1.00 1.00 H new ATOM 0 HG21 THR A 83 79.346 20.124 33.391 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.865 19.736 32.483 1.00 1.00 H new ATOM 0 HG23 THR A 83 78.008 21.296 33.326 1.00 1.00 H new ATOM 1326 N ILE A 84 74.923 19.770 32.560 1.00 1.00 N ATOM 1327 CA ILE A 84 74.165 19.330 31.423 1.00 1.00 C ATOM 1328 C ILE A 84 74.732 19.942 30.178 1.00 1.00 C ATOM 1329 O ILE A 84 75.198 21.080 30.174 1.00 1.00 O ATOM 1330 CB ILE A 84 72.689 19.589 31.583 1.00 1.00 C ATOM 1331 CG1 ILE A 84 72.104 18.829 32.790 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.890 19.254 30.309 1.00 1.00 C ATOM 1333 CD1 ILE A 84 72.199 17.303 32.716 1.00 1.00 C ATOM 0 H ILE A 84 74.894 20.785 32.652 1.00 1.00 H new ATOM 0 HA ILE A 84 74.254 18.247 31.341 1.00 1.00 H new ATOM 0 HB ILE A 84 72.590 20.659 31.765 1.00 1.00 H new ATOM 0 HG12 ILE A 84 72.617 19.164 33.692 1.00 1.00 H new ATOM 0 HG13 ILE A 84 71.055 19.106 32.898 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.833 19.459 30.478 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.250 19.866 29.482 1.00 1.00 H new ATOM 0 HG23 ILE A 84 72.021 18.200 30.064 1.00 1.00 H new ATOM 0 HD11 ILE A 84 71.759 16.867 33.613 1.00 1.00 H new ATOM 0 HD12 ILE A 84 71.660 16.947 31.838 1.00 1.00 H new ATOM 0 HD13 ILE A 84 73.245 17.007 32.644 1.00 1.00 H new ATOM 1345 N ASP A 85 74.797 19.185 29.068 1.00 1.00 N ATOM 1346 CA ASP A 85 75.582 19.504 27.912 1.00 1.00 C ATOM 1347 C ASP A 85 74.656 19.852 26.789 1.00 1.00 C ATOM 1348 O ASP A 85 73.620 19.217 26.598 1.00 1.00 O ATOM 1349 CB ASP A 85 76.323 18.202 27.547 1.00 1.00 C ATOM 1350 CG ASP A 85 77.251 18.265 26.346 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.142 19.153 26.292 1.00 1.00 O ATOM 1352 OD2 ASP A 85 77.123 17.371 25.467 1.00 1.00 O ATOM 0 H ASP A 85 74.280 18.311 28.970 1.00 1.00 H new ATOM 0 HA ASP A 85 76.265 20.335 28.092 1.00 1.00 H new ATOM 0 HB2 ASP A 85 76.906 17.887 28.413 1.00 1.00 H new ATOM 0 HB3 ASP A 85 75.580 17.426 27.364 1.00 1.00 H new ATOM 1357 N VAL A 86 74.983 20.897 26.007 1.00 1.00 N ATOM 1358 CA VAL A 86 74.206 21.288 24.867 1.00 1.00 C ATOM 1359 C VAL A 86 75.005 21.116 23.615 1.00 1.00 C ATOM 1360 O VAL A 86 76.168 21.504 23.508 1.00 1.00 O ATOM 1361 CB VAL A 86 73.641 22.679 25.000 1.00 1.00 C ATOM 1362 CG1 VAL A 86 73.400 23.418 23.669 1.00 1.00 C ATOM 1363 CG2 VAL A 86 72.300 22.548 25.740 1.00 1.00 C ATOM 0 H VAL A 86 75.802 21.483 26.168 1.00 1.00 H new ATOM 0 HA VAL A 86 73.341 20.628 24.810 1.00 1.00 H new ATOM 0 HB VAL A 86 74.381 23.277 25.532 1.00 1.00 H new ATOM 0 HG11 VAL A 86 72.993 24.409 23.871 1.00 1.00 H new ATOM 0 HG12 VAL A 86 74.343 23.516 23.131 1.00 1.00 H new ATOM 0 HG13 VAL A 86 72.693 22.853 23.062 1.00 1.00 H new ATOM 0 HG21 VAL A 86 71.853 23.535 25.860 1.00 1.00 H new ATOM 0 HG22 VAL A 86 71.627 21.912 25.165 1.00 1.00 H new ATOM 0 HG23 VAL A 86 72.468 22.104 26.721 1.00 1.00 H new ATOM 1373 N PHE A 87 74.351 20.502 22.613 1.00 1.00 N ATOM 1374 CA PHE A 87 74.817 20.410 21.259 1.00 1.00 C ATOM 1375 C PHE A 87 73.885 21.139 20.340 1.00 1.00 C ATOM 1376 O PHE A 87 72.662 21.091 20.467 1.00 1.00 O ATOM 1377 CB PHE A 87 74.938 18.937 20.829 1.00 1.00 C ATOM 1378 CG PHE A 87 75.971 18.720 19.774 1.00 1.00 C ATOM 1379 CD1 PHE A 87 77.312 18.845 20.092 1.00 1.00 C ATOM 1380 CD2 PHE A 87 75.615 18.343 18.492 1.00 1.00 C ATOM 1381 CE1 PHE A 87 78.286 18.605 19.140 1.00 1.00 C ATOM 1382 CE2 PHE A 87 76.583 18.097 17.535 1.00 1.00 C ATOM 1383 CZ PHE A 87 77.921 18.235 17.860 1.00 1.00 C ATOM 0 H PHE A 87 73.450 20.045 22.752 1.00 1.00 H new ATOM 0 HA PHE A 87 75.803 20.871 21.201 1.00 1.00 H new ATOM 0 HB2 PHE A 87 75.183 18.329 21.700 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.972 18.591 20.460 1.00 1.00 H new ATOM 0 HD1 PHE A 87 77.600 19.132 21.092 1.00 1.00 H new ATOM 0 HD2 PHE A 87 74.571 18.240 18.235 1.00 1.00 H new ATOM 0 HE1 PHE A 87 79.330 18.707 19.397 1.00 1.00 H new ATOM 0 HE2 PHE A 87 76.296 17.798 16.538 1.00 1.00 H new ATOM 0 HZ PHE A 87 78.680 18.053 17.113 1.00 1.00 H new ATOM 1393 N GLN A 88 74.449 21.873 19.366 1.00 1.00 N ATOM 1394 CA GLN A 88 73.718 22.736 18.483 1.00 1.00 C ATOM 1395 C GLN A 88 73.248 22.013 17.259 1.00 1.00 C ATOM 1396 O GLN A 88 73.970 21.216 16.660 1.00 1.00 O ATOM 1397 CB GLN A 88 74.535 23.983 18.085 1.00 1.00 C ATOM 1398 CG GLN A 88 73.692 25.100 17.451 1.00 1.00 C ATOM 1399 CD GLN A 88 74.500 26.324 17.036 1.00 1.00 C ATOM 1400 OE1 GLN A 88 74.338 27.422 17.571 1.00 1.00 O ATOM 1401 NE2 GLN A 88 75.357 26.160 15.994 1.00 1.00 N ATOM 0 H GLN A 88 75.453 21.868 19.184 1.00 1.00 H new ATOM 0 HA GLN A 88 72.842 23.070 19.039 1.00 1.00 H new ATOM 0 HB2 GLN A 88 75.035 24.376 18.970 1.00 1.00 H new ATOM 0 HB3 GLN A 88 75.315 23.686 17.384 1.00 1.00 H new ATOM 0 HG2 GLN A 88 73.179 24.702 16.576 1.00 1.00 H new ATOM 0 HG3 GLN A 88 72.923 25.408 18.159 1.00 1.00 H new ATOM 0 HE21 GLN A 88 75.473 25.240 15.569 1.00 1.00 H new ATOM 0 HE22 GLN A 88 75.884 26.957 15.637 1.00 1.00 H new ATOM 1410 N GLN A 89 71.992 22.263 16.847 1.00 1.00 N ATOM 1411 CA GLN A 89 71.350 21.657 15.716 1.00 1.00 C ATOM 1412 C GLN A 89 71.216 22.644 14.598 1.00 1.00 C ATOM 1413 O GLN A 89 71.991 23.595 14.499 1.00 1.00 O ATOM 1414 CB GLN A 89 69.976 21.087 16.116 1.00 1.00 C ATOM 1415 CG GLN A 89 70.006 20.181 17.354 1.00 1.00 C ATOM 1416 CD GLN A 89 70.908 18.965 17.186 1.00 1.00 C ATOM 1417 OE1 GLN A 89 70.830 18.235 16.197 1.00 1.00 O ATOM 1418 NE2 GLN A 89 71.784 18.714 18.193 1.00 1.00 N ATOM 0 H GLN A 89 71.387 22.927 17.331 1.00 1.00 H new ATOM 0 HA GLN A 89 71.970 20.831 15.366 1.00 1.00 H new ATOM 0 HB2 GLN A 89 69.292 21.915 16.302 1.00 1.00 H new ATOM 0 HB3 GLN A 89 69.571 20.522 15.276 1.00 1.00 H new ATOM 0 HG2 GLN A 89 70.345 20.761 18.212 1.00 1.00 H new ATOM 0 HG3 GLN A 89 68.993 19.846 17.576 1.00 1.00 H new ATOM 0 HE21 GLN A 89 71.826 19.337 19.000 1.00 1.00 H new ATOM 0 HE22 GLN A 89 72.400 17.903 18.143 1.00 1.00 H new ATOM 1481 N VAL B 966 71.854 32.133 38.884 1.00 1.00 N ATOM 1482 CA VAL B 966 71.314 33.061 37.929 1.00 1.00 C ATOM 1483 C VAL B 966 69.826 33.020 37.798 1.00 1.00 C ATOM 1484 O VAL B 966 69.144 34.042 37.864 1.00 1.00 O ATOM 1485 CB VAL B 966 72.012 33.081 36.589 1.00 1.00 C ATOM 1486 CG1 VAL B 966 72.970 31.913 36.307 1.00 1.00 C ATOM 1487 CG2 VAL B 966 71.055 33.013 35.390 1.00 1.00 C ATOM 0 HA VAL B 966 71.545 34.025 38.382 1.00 1.00 H new ATOM 0 HB VAL B 966 72.546 34.027 36.679 1.00 1.00 H new ATOM 0 HG11 VAL B 966 73.411 32.035 35.318 1.00 1.00 H new ATOM 0 HG12 VAL B 966 73.760 31.901 37.058 1.00 1.00 H new ATOM 0 HG13 VAL B 966 72.419 30.973 36.345 1.00 1.00 H new ATOM 0 HG21 VAL B 966 71.630 33.032 34.464 1.00 1.00 H new ATOM 0 HG22 VAL B 966 70.476 32.091 35.439 1.00 1.00 H new ATOM 0 HG23 VAL B 966 70.379 33.868 35.415 1.00 1.00 H new ATOM 1497 N ILE B 967 69.283 31.804 37.637 1.00 1.00 N ATOM 1498 CA ILE B 967 67.889 31.594 37.362 1.00 1.00 C ATOM 1499 C ILE B 967 67.269 30.927 38.549 1.00 1.00 C ATOM 1500 O ILE B 967 67.678 29.843 38.962 1.00 1.00 O ATOM 1501 CB ILE B 967 67.686 30.865 36.054 1.00 1.00 C ATOM 1502 CG1 ILE B 967 67.708 31.863 34.879 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.383 30.044 36.042 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.221 31.311 33.545 1.00 1.00 C ATOM 0 H ILE B 967 69.822 30.940 37.699 1.00 1.00 H new ATOM 0 HA ILE B 967 67.376 32.545 37.217 1.00 1.00 H new ATOM 0 HB ILE B 967 68.510 30.160 35.941 1.00 1.00 H new ATOM 0 HG12 ILE B 967 66.697 32.241 34.729 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.328 32.714 35.161 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.281 29.538 35.082 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.412 29.303 36.841 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.533 30.709 36.194 1.00 1.00 H new ATOM 0 HD11 ILE B 967 68.193 32.097 32.791 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.246 30.961 33.666 1.00 1.00 H new ATOM 0 HD13 ILE B 967 67.589 30.481 33.228 1.00 1.00 H new ATOM 1516 N ASP B 968 66.281 31.567 39.203 1.00 1.00 N ATOM 1517 CA ASP B 968 65.420 30.951 40.172 1.00 1.00 C ATOM 1518 C ASP B 968 64.099 30.660 39.530 1.00 1.00 C ATOM 1519 O ASP B 968 63.342 31.589 39.252 1.00 1.00 O ATOM 1520 CB ASP B 968 65.199 31.881 41.381 1.00 1.00 C ATOM 1521 CG ASP B 968 66.505 32.262 42.055 1.00 1.00 C ATOM 1522 OD1 ASP B 968 67.104 31.402 42.753 1.00 1.00 O ATOM 1523 OD2 ASP B 968 66.934 33.439 41.919 1.00 1.00 O ATOM 0 H ASP B 968 66.072 32.554 39.052 1.00 1.00 H new ATOM 0 HA ASP B 968 65.887 30.031 40.523 1.00 1.00 H new ATOM 0 HB2 ASP B 968 64.684 32.784 41.054 1.00 1.00 H new ATOM 0 HB3 ASP B 968 64.549 31.387 42.104 1.00 1.00 H new ATOM 1528 N LEU B 969 63.737 29.393 39.244 1.00 1.00 N ATOM 1529 CA LEU B 969 62.569 29.125 38.451 1.00 1.00 C ATOM 1530 C LEU B 969 61.428 28.561 39.241 1.00 1.00 C ATOM 1531 O LEU B 969 61.605 28.008 40.326 1.00 1.00 O ATOM 1532 CB LEU B 969 62.913 28.307 37.189 1.00 1.00 C ATOM 1533 CG LEU B 969 63.730 27.026 37.434 1.00 1.00 C ATOM 1534 CD1 LEU B 969 62.897 25.899 38.059 1.00 1.00 C ATOM 1535 CD2 LEU B 969 64.488 26.504 36.204 1.00 1.00 C ATOM 0 H LEU B 969 64.243 28.564 39.556 1.00 1.00 H new ATOM 0 HA LEU B 969 62.202 30.090 38.101 1.00 1.00 H new ATOM 0 HB2 LEU B 969 61.984 28.035 36.689 1.00 1.00 H new ATOM 0 HB3 LEU B 969 63.469 28.946 36.503 1.00 1.00 H new ATOM 0 HG LEU B 969 64.486 27.341 38.154 1.00 1.00 H new ATOM 0 HD11 LEU B 969 63.526 25.022 38.208 1.00 1.00 H new ATOM 0 HD12 LEU B 969 62.501 26.229 39.019 1.00 1.00 H new ATOM 0 HD13 LEU B 969 62.072 25.645 37.394 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.035 25.600 36.470 1.00 1.00 H new ATOM 0 HD22 LEU B 969 63.778 26.278 35.408 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.189 27.264 35.859 1.00 1.00 H new