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 -163:sc= 0.691 USER MOD Set 1.2: A 75 GLN : amide:sc= 0.976 K(o=1.7,f=1.1) USER MOD Single : A 17 HIS : no HD1:sc= -0.0293 X(o=-0.029,f=-0.013) USER MOD Single : A 19 ASN : amide:sc= -0.287 K(o=-0.29,f=-2.5) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.04 X(o=-1,f=-0.56) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= 1.27 (180deg=1.15) 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 -174:sc=-0.00247 (180deg=-0.0819) 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 74:sc= 0.697 USER MOD Single : A 51 GLN : amide:sc=-0.00603 K(o=-0.006,f=-1.9!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -117:sc=-0.00718 (180deg=-0.203) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.858 K(o=0.86,f=-5.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 175:sc= 0 (180deg=-0.0612) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc=-0.00654 X(o=-0.0065,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.69 X(o=-0.69,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 65.297 22.080 46.661 1.00 1.00 N ATOM 245 CA HIS A 17 65.812 22.509 45.397 1.00 1.00 C ATOM 246 C HIS A 17 67.271 22.216 45.240 1.00 1.00 C ATOM 247 O HIS A 17 68.027 22.092 46.203 1.00 1.00 O ATOM 248 CB HIS A 17 65.498 23.993 45.117 1.00 1.00 C ATOM 249 CG HIS A 17 65.996 25.064 46.044 1.00 1.00 C ATOM 250 ND1 HIS A 17 67.306 25.447 46.166 1.00 1.00 N ATOM 251 CD2 HIS A 17 65.264 25.966 46.749 1.00 1.00 C ATOM 252 CE1 HIS A 17 67.377 26.531 46.919 1.00 1.00 C ATOM 253 NE2 HIS A 17 66.152 26.858 47.289 1.00 1.00 N ATOM 0 HA HIS A 17 65.292 21.919 44.642 1.00 1.00 H new ATOM 0 HB2 HIS A 17 65.884 24.222 44.124 1.00 1.00 H new ATOM 0 HB3 HIS A 17 64.413 24.089 45.067 1.00 1.00 H new ATOM 0 HD2 HIS A 17 64.190 25.977 46.862 1.00 1.00 H new ATOM 0 HE1 HIS A 17 68.281 27.058 47.186 1.00 1.00 H new ATOM 0 HE2 HIS A 17 65.906 27.650 47.883 1.00 1.00 H new ATOM 262 N ILE A 18 67.684 22.074 43.969 1.00 1.00 N ATOM 263 CA ILE A 18 68.977 21.715 43.466 1.00 1.00 C ATOM 264 C ILE A 18 69.283 22.688 42.370 1.00 1.00 C ATOM 265 O ILE A 18 68.387 23.363 41.868 1.00 1.00 O ATOM 266 CB ILE A 18 69.010 20.306 42.931 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.901 20.004 41.906 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.914 19.339 44.125 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.160 18.717 41.121 1.00 1.00 C ATOM 0 H ILE A 18 67.030 22.230 43.202 1.00 1.00 H new ATOM 0 HA ILE A 18 69.714 21.752 44.268 1.00 1.00 H new ATOM 0 HB ILE A 18 69.947 20.177 42.389 1.00 1.00 H new ATOM 0 HG12 ILE A 18 66.945 19.923 42.424 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.817 20.839 41.210 1.00 1.00 H new ATOM 0 HG21 ILE A 18 68.936 18.311 43.763 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.756 19.505 44.797 1.00 1.00 H new ATOM 0 HG23 ILE A 18 67.982 19.515 44.662 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.348 18.553 40.413 1.00 1.00 H new ATOM 0 HD12 ILE A 18 69.101 18.805 40.579 1.00 1.00 H new ATOM 0 HD13 ILE A 18 68.216 17.875 41.811 1.00 1.00 H new ATOM 281 N ASN A 19 70.548 22.876 41.955 1.00 1.00 N ATOM 282 CA ASN A 19 70.857 23.691 40.815 1.00 1.00 C ATOM 283 C ASN A 19 71.402 22.804 39.741 1.00 1.00 C ATOM 284 O ASN A 19 72.089 21.817 39.997 1.00 1.00 O ATOM 285 CB ASN A 19 71.884 24.814 41.059 1.00 1.00 C ATOM 286 CG ASN A 19 71.444 25.833 42.101 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.340 25.812 42.643 1.00 1.00 O ATOM 288 ND2 ASN A 19 72.347 26.803 42.395 1.00 1.00 N ATOM 0 H ASN A 19 71.362 22.463 42.409 1.00 1.00 H new ATOM 0 HA ASN A 19 69.924 24.186 40.546 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.827 24.369 41.376 1.00 1.00 H new ATOM 0 HB3 ASN A 19 72.075 25.330 40.118 1.00 1.00 H new ATOM 0 HD21 ASN A 19 72.114 27.528 43.074 1.00 1.00 H new ATOM 0 HD22 ASN A 19 73.258 26.807 41.937 1.00 1.00 H new ATOM 295 N LEU A 20 71.106 23.097 38.464 1.00 1.00 N ATOM 296 CA LEU A 20 71.738 22.414 37.374 1.00 1.00 C ATOM 297 C LEU A 20 72.266 23.482 36.470 1.00 1.00 C ATOM 298 O LEU A 20 71.781 24.611 36.487 1.00 1.00 O ATOM 299 CB LEU A 20 70.793 21.433 36.650 1.00 1.00 C ATOM 300 CG LEU A 20 69.962 21.964 35.468 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.252 20.794 34.770 1.00 1.00 C ATOM 302 CD2 LEU A 20 68.924 23.028 35.851 1.00 1.00 C ATOM 0 H LEU A 20 70.429 23.807 38.183 1.00 1.00 H new ATOM 0 HA LEU A 20 72.544 21.775 37.735 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.393 20.599 36.287 1.00 1.00 H new ATOM 0 HB3 LEU A 20 70.101 21.030 37.389 1.00 1.00 H new ATOM 0 HG LEU A 20 70.671 22.454 34.801 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.664 21.172 33.934 1.00 1.00 H new ATOM 0 HD12 LEU A 20 69.994 20.086 34.401 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.593 20.293 35.479 1.00 1.00 H new ATOM 0 HD21 LEU A 20 68.384 23.347 34.960 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.221 22.608 36.571 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.429 23.886 36.295 1.00 1.00 H new ATOM 314 N LYS A 21 73.294 23.194 35.655 1.00 1.00 N ATOM 315 CA LYS A 21 73.799 24.057 34.630 1.00 1.00 C ATOM 316 C LYS A 21 73.797 23.394 33.289 1.00 1.00 C ATOM 317 O LYS A 21 73.921 22.177 33.162 1.00 1.00 O ATOM 318 CB LYS A 21 75.213 24.549 34.989 1.00 1.00 C ATOM 319 CG LYS A 21 76.320 23.521 34.731 1.00 1.00 C ATOM 320 CD LYS A 21 77.709 23.916 35.242 1.00 1.00 C ATOM 321 CE LYS A 21 77.902 23.681 36.740 1.00 1.00 C ATOM 322 NZ LYS A 21 79.337 23.814 37.068 1.00 1.00 N ATOM 0 H LYS A 21 73.802 22.311 35.713 1.00 1.00 H new ATOM 0 HA LYS A 21 73.131 24.916 34.568 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.429 25.450 34.415 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.231 24.830 36.042 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.034 22.578 35.197 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.383 23.340 33.658 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.462 23.350 34.694 1.00 1.00 H new ATOM 0 HD3 LYS A 21 77.881 24.970 35.023 1.00 1.00 H new ATOM 0 HE2 LYS A 21 77.317 24.401 37.312 1.00 1.00 H new ATOM 0 HE3 LYS A 21 77.544 22.689 37.015 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 79.477 23.655 38.086 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 79.883 23.111 36.530 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 79.663 24.770 36.819 1.00 1.00 H new ATOM 336 N VAL A 22 73.649 24.203 32.225 1.00 1.00 N ATOM 337 CA VAL A 22 73.668 23.759 30.860 1.00 1.00 C ATOM 338 C VAL A 22 74.807 24.436 30.169 1.00 1.00 C ATOM 339 O VAL A 22 74.874 25.663 30.103 1.00 1.00 O ATOM 340 CB VAL A 22 72.362 24.052 30.172 1.00 1.00 C ATOM 341 CG1 VAL A 22 72.444 23.965 28.641 1.00 1.00 C ATOM 342 CG2 VAL A 22 71.333 23.009 30.638 1.00 1.00 C ATOM 0 H VAL A 22 73.510 25.209 32.316 1.00 1.00 H new ATOM 0 HA VAL A 22 73.802 22.678 30.825 1.00 1.00 H new ATOM 0 HB VAL A 22 72.085 25.074 30.432 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.467 24.188 28.211 1.00 1.00 H new ATOM 0 HG12 VAL A 22 73.175 24.686 28.274 1.00 1.00 H new ATOM 0 HG13 VAL A 22 72.748 22.960 28.349 1.00 1.00 H new ATOM 0 HG21 VAL A 22 70.376 23.200 30.153 1.00 1.00 H new ATOM 0 HG22 VAL A 22 71.681 22.011 30.373 1.00 1.00 H new ATOM 0 HG23 VAL A 22 71.211 23.076 31.719 1.00 1.00 H new ATOM 352 N ALA A 23 75.765 23.642 29.656 1.00 1.00 N ATOM 353 CA ALA A 23 77.052 24.106 29.231 1.00 1.00 C ATOM 354 C ALA A 23 77.330 23.836 27.786 1.00 1.00 C ATOM 355 O ALA A 23 77.188 22.720 27.284 1.00 1.00 O ATOM 356 CB ALA A 23 78.137 23.428 30.086 1.00 1.00 C ATOM 0 H ALA A 23 75.639 22.637 29.532 1.00 1.00 H new ATOM 0 HA ALA A 23 77.061 25.188 29.361 1.00 1.00 H new ATOM 0 HB1 ALA A 23 79.120 23.776 29.769 1.00 1.00 H new ATOM 0 HB2 ALA A 23 77.984 23.680 31.135 1.00 1.00 H new ATOM 0 HB3 ALA A 23 78.077 22.347 29.960 1.00 1.00 H new ATOM 362 N GLY A 24 77.773 24.885 27.066 1.00 1.00 N ATOM 363 CA GLY A 24 78.208 24.762 25.706 1.00 1.00 C ATOM 364 C GLY A 24 79.690 24.620 25.604 1.00 1.00 C ATOM 365 O GLY A 24 80.441 24.746 26.570 1.00 1.00 O ATOM 0 H GLY A 24 77.830 25.835 27.434 1.00 1.00 H new ATOM 0 HA2 GLY A 24 77.729 23.896 25.249 1.00 1.00 H new ATOM 0 HA3 GLY A 24 77.888 25.638 25.142 1.00 1.00 H new ATOM 416 N VAL A 29 78.236 28.725 30.160 1.00 1.00 N ATOM 417 CA VAL A 29 77.254 27.871 30.748 1.00 1.00 C ATOM 418 C VAL A 29 76.297 28.756 31.479 1.00 1.00 C ATOM 419 O VAL A 29 76.686 29.808 31.987 1.00 1.00 O ATOM 420 CB VAL A 29 77.986 26.900 31.634 1.00 1.00 C ATOM 421 CG1 VAL A 29 79.062 27.602 32.479 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.048 26.131 32.571 1.00 1.00 C ATOM 0 HA VAL A 29 76.679 27.285 30.031 1.00 1.00 H new ATOM 0 HB VAL A 29 78.458 26.189 30.956 1.00 1.00 H new ATOM 0 HG11 VAL A 29 79.569 26.868 33.106 1.00 1.00 H new ATOM 0 HG12 VAL A 29 79.788 28.080 31.820 1.00 1.00 H new ATOM 0 HG13 VAL A 29 78.594 28.357 33.111 1.00 1.00 H new ATOM 0 HG21 VAL A 29 77.630 25.445 33.186 1.00 1.00 H new ATOM 0 HG22 VAL A 29 76.518 26.835 33.213 1.00 1.00 H new ATOM 0 HG23 VAL A 29 76.327 25.565 31.980 1.00 1.00 H new ATOM 432 N VAL A 30 75.005 28.393 31.546 1.00 1.00 N ATOM 433 CA VAL A 30 74.055 29.071 32.383 1.00 1.00 C ATOM 434 C VAL A 30 73.461 28.087 33.344 1.00 1.00 C ATOM 435 O VAL A 30 73.131 26.960 32.975 1.00 1.00 O ATOM 436 CB VAL A 30 73.060 29.895 31.604 1.00 1.00 C ATOM 437 CG1 VAL A 30 71.797 29.146 31.151 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.516 31.036 32.476 1.00 1.00 C ATOM 0 H VAL A 30 74.610 27.618 31.013 1.00 1.00 H new ATOM 0 HA VAL A 30 74.567 29.828 32.977 1.00 1.00 H new ATOM 0 HB VAL A 30 73.630 30.216 30.732 1.00 1.00 H new ATOM 0 HG11 VAL A 30 71.148 29.827 30.600 1.00 1.00 H new ATOM 0 HG12 VAL A 30 72.079 28.313 30.507 1.00 1.00 H new ATOM 0 HG13 VAL A 30 71.267 28.766 32.024 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.799 31.623 31.902 1.00 1.00 H new ATOM 0 HG22 VAL A 30 72.023 30.619 33.354 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.339 31.677 32.792 1.00 1.00 H new ATOM 448 N GLN A 31 73.375 28.434 34.642 1.00 1.00 N ATOM 449 CA GLN A 31 72.739 27.640 35.654 1.00 1.00 C ATOM 450 C GLN A 31 71.349 28.070 36.000 1.00 1.00 C ATOM 451 O GLN A 31 70.834 29.159 35.746 1.00 1.00 O ATOM 452 CB GLN A 31 73.600 27.431 36.918 1.00 1.00 C ATOM 453 CG GLN A 31 73.730 28.551 37.964 1.00 1.00 C ATOM 454 CD GLN A 31 72.634 28.799 38.999 1.00 1.00 C ATOM 455 OE1 GLN A 31 72.594 29.861 39.619 1.00 1.00 O ATOM 456 NE2 GLN A 31 71.706 27.840 39.247 1.00 1.00 N ATOM 0 H GLN A 31 73.765 29.305 35.003 1.00 1.00 H new ATOM 0 HA GLN A 31 72.640 26.665 35.177 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.209 26.553 37.433 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.608 27.183 36.584 1.00 1.00 H new ATOM 0 HG2 GLN A 31 74.652 28.366 38.515 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.867 29.483 37.416 1.00 1.00 H new ATOM 0 HE21 GLN A 31 71.735 26.958 38.736 1.00 1.00 H new ATOM 0 HE22 GLN A 31 70.980 28.001 39.945 1.00 1.00 H new ATOM 465 N PHE A 32 70.622 27.129 36.617 1.00 1.00 N ATOM 466 CA PHE A 32 69.244 27.343 36.930 1.00 1.00 C ATOM 467 C PHE A 32 69.014 26.637 38.231 1.00 1.00 C ATOM 468 O PHE A 32 69.563 25.561 38.463 1.00 1.00 O ATOM 469 CB PHE A 32 68.423 26.689 35.803 1.00 1.00 C ATOM 470 CG PHE A 32 68.916 26.817 34.397 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.864 25.926 33.926 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.365 27.713 33.498 1.00 1.00 C ATOM 473 CE1 PHE A 32 70.249 25.920 32.601 1.00 1.00 C ATOM 474 CE2 PHE A 32 68.737 27.714 32.166 1.00 1.00 C ATOM 475 CZ PHE A 32 69.668 26.801 31.708 1.00 1.00 C ATOM 0 H PHE A 32 70.985 26.219 36.900 1.00 1.00 H new ATOM 0 HA PHE A 32 68.965 28.393 37.013 1.00 1.00 H new ATOM 0 HB2 PHE A 32 68.337 25.626 36.029 1.00 1.00 H new ATOM 0 HB3 PHE A 32 67.416 27.106 35.841 1.00 1.00 H new ATOM 0 HD1 PHE A 32 70.312 25.220 34.610 1.00 1.00 H new ATOM 0 HD2 PHE A 32 67.630 28.425 33.843 1.00 1.00 H new ATOM 0 HE1 PHE A 32 71.004 25.227 32.261 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.300 28.428 31.484 1.00 1.00 H new ATOM 0 HZ PHE A 32 69.939 26.776 30.663 1.00 1.00 H new ATOM 485 N LYS A 33 68.224 27.219 39.150 1.00 1.00 N ATOM 486 CA LYS A 33 67.861 26.702 40.436 1.00 1.00 C ATOM 487 C LYS A 33 66.486 26.120 40.320 1.00 1.00 C ATOM 488 O LYS A 33 65.527 26.816 39.988 1.00 1.00 O ATOM 489 CB LYS A 33 67.844 27.852 41.461 1.00 1.00 C ATOM 490 CG LYS A 33 67.494 27.464 42.901 1.00 1.00 C ATOM 491 CD LYS A 33 67.359 28.699 43.797 1.00 1.00 C ATOM 492 CE LYS A 33 65.968 29.330 43.697 1.00 1.00 C ATOM 493 NZ LYS A 33 65.945 30.677 44.302 1.00 1.00 N ATOM 0 H LYS A 33 67.802 28.132 38.978 1.00 1.00 H new ATOM 0 HA LYS A 33 68.573 25.944 40.762 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.826 28.326 41.462 1.00 1.00 H new ATOM 0 HB3 LYS A 33 67.128 28.602 41.124 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.560 26.902 42.911 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.266 26.806 43.300 1.00 1.00 H new ATOM 0 HD2 LYS A 33 67.557 28.420 44.832 1.00 1.00 H new ATOM 0 HD3 LYS A 33 68.112 29.435 43.516 1.00 1.00 H new ATOM 0 HE2 LYS A 33 65.670 29.394 42.651 1.00 1.00 H new ATOM 0 HE3 LYS A 33 65.240 28.692 44.198 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 64.980 30.898 44.621 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 66.593 30.704 45.115 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 66.246 31.380 43.597 1.00 1.00 H new ATOM 507 N ILE A 34 66.392 24.800 40.559 1.00 1.00 N ATOM 508 CA ILE A 34 65.444 23.871 40.016 1.00 1.00 C ATOM 509 C ILE A 34 65.099 22.808 41.004 1.00 1.00 C ATOM 510 O ILE A 34 65.761 22.547 42.007 1.00 1.00 O ATOM 511 CB ILE A 34 65.824 23.259 38.693 1.00 1.00 C ATOM 512 CG1 ILE A 34 64.879 22.220 38.054 1.00 1.00 C ATOM 513 CG2 ILE A 34 67.266 22.736 38.811 1.00 1.00 C ATOM 514 CD1 ILE A 34 65.100 21.996 36.558 1.00 1.00 C ATOM 0 H ILE A 34 67.043 24.339 41.194 1.00 1.00 H new ATOM 0 HA ILE A 34 64.564 24.479 39.806 1.00 1.00 H new ATOM 0 HB ILE A 34 65.727 24.070 37.971 1.00 1.00 H new ATOM 0 HG12 ILE A 34 65.001 21.269 38.573 1.00 1.00 H new ATOM 0 HG13 ILE A 34 63.849 22.539 38.212 1.00 1.00 H new ATOM 0 HG21 ILE A 34 67.569 22.286 37.865 1.00 1.00 H new ATOM 0 HG22 ILE A 34 67.935 23.563 39.050 1.00 1.00 H new ATOM 0 HG23 ILE A 34 67.318 21.987 39.602 1.00 1.00 H new ATOM 0 HD11 ILE A 34 64.393 21.251 36.193 1.00 1.00 H new ATOM 0 HD12 ILE A 34 64.947 22.933 36.023 1.00 1.00 H new ATOM 0 HD13 ILE A 34 66.118 21.644 36.389 1.00 1.00 H new ATOM 526 N LYS A 35 63.897 22.257 40.800 1.00 1.00 N ATOM 527 CA LYS A 35 63.311 21.303 41.695 1.00 1.00 C ATOM 528 C LYS A 35 62.962 20.004 41.044 1.00 1.00 C ATOM 529 O LYS A 35 63.023 19.836 39.828 1.00 1.00 O ATOM 530 CB LYS A 35 62.100 21.896 42.433 1.00 1.00 C ATOM 531 CG LYS A 35 62.446 23.184 43.184 1.00 1.00 C ATOM 532 CD LYS A 35 62.097 24.444 42.387 1.00 1.00 C ATOM 533 CE LYS A 35 60.585 24.669 42.381 1.00 1.00 C ATOM 534 NZ LYS A 35 60.210 25.530 43.522 1.00 1.00 N ATOM 0 H LYS A 35 63.312 22.476 39.994 1.00 1.00 H new ATOM 0 HA LYS A 35 64.085 21.073 42.428 1.00 1.00 H new ATOM 0 HB2 LYS A 35 61.305 22.100 41.716 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.712 21.161 43.138 1.00 1.00 H new ATOM 0 HG2 LYS A 35 61.912 23.200 44.134 1.00 1.00 H new ATOM 0 HG3 LYS A 35 63.511 23.189 43.417 1.00 1.00 H new ATOM 0 HD2 LYS A 35 62.598 25.308 42.823 1.00 1.00 H new ATOM 0 HD3 LYS A 35 62.461 24.347 41.364 1.00 1.00 H new ATOM 0 HE2 LYS A 35 60.280 25.135 41.444 1.00 1.00 H new ATOM 0 HE3 LYS A 35 60.064 23.714 42.446 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 59.181 25.683 43.518 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 60.488 25.068 44.411 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 60.697 26.446 43.441 1.00 1.00 H new ATOM 548 N ARG A 36 62.659 19.006 41.892 1.00 1.00 N ATOM 549 CA ARG A 36 62.648 17.612 41.546 1.00 1.00 C ATOM 550 C ARG A 36 61.605 17.162 40.567 1.00 1.00 C ATOM 551 O ARG A 36 61.887 16.339 39.696 1.00 1.00 O ATOM 552 CB ARG A 36 62.536 16.783 42.841 1.00 1.00 C ATOM 553 CG ARG A 36 62.651 15.258 42.721 1.00 1.00 C ATOM 554 CD ARG A 36 64.050 14.706 42.431 1.00 1.00 C ATOM 555 NE ARG A 36 63.905 13.222 42.430 1.00 1.00 N ATOM 556 CZ ARG A 36 64.921 12.350 42.206 1.00 1.00 C ATOM 557 NH1 ARG A 36 66.188 12.751 41.946 1.00 1.00 N ATOM 558 NH2 ARG A 36 64.661 11.021 42.156 1.00 1.00 N ATOM 0 H ARG A 36 62.409 19.175 42.866 1.00 1.00 H new ATOM 0 HA ARG A 36 63.587 17.448 41.017 1.00 1.00 H new ATOM 0 HB2 ARG A 36 63.311 17.125 43.527 1.00 1.00 H new ATOM 0 HB3 ARG A 36 61.576 17.012 43.304 1.00 1.00 H new ATOM 0 HG2 ARG A 36 62.293 14.813 43.650 1.00 1.00 H new ATOM 0 HG3 ARG A 36 61.980 14.925 41.929 1.00 1.00 H new ATOM 0 HD2 ARG A 36 64.421 15.064 41.471 1.00 1.00 H new ATOM 0 HD3 ARG A 36 64.764 15.029 43.189 1.00 1.00 H new ATOM 0 HE ARG A 36 62.978 12.835 42.610 1.00 1.00 H new ATOM 0 HH11 ARG A 36 66.411 13.746 41.912 1.00 1.00 H new ATOM 0 HH12 ARG A 36 66.919 12.058 41.784 1.00 1.00 H new ATOM 0 HH21 ARG A 36 63.708 10.683 42.286 1.00 1.00 H new ATOM 0 HH22 ARG A 36 65.419 10.359 41.988 1.00 1.00 H new ATOM 572 N HIS A 37 60.369 17.692 40.623 1.00 1.00 N ATOM 573 CA HIS A 37 59.323 17.312 39.714 1.00 1.00 C ATOM 574 C HIS A 37 59.366 18.133 38.466 1.00 1.00 C ATOM 575 O HIS A 37 58.940 17.701 37.396 1.00 1.00 O ATOM 576 CB HIS A 37 57.930 17.467 40.355 1.00 1.00 C ATOM 577 CG HIS A 37 56.780 16.843 39.618 1.00 1.00 C ATOM 578 ND1 HIS A 37 56.035 17.508 38.680 1.00 1.00 N ATOM 579 CD2 HIS A 37 56.207 15.621 39.772 1.00 1.00 C ATOM 580 CE1 HIS A 37 55.051 16.727 38.275 1.00 1.00 C ATOM 581 NE2 HIS A 37 55.134 15.577 38.919 1.00 1.00 N ATOM 0 H HIS A 37 60.088 18.394 41.307 1.00 1.00 H new ATOM 0 HA HIS A 37 59.492 16.263 39.469 1.00 1.00 H new ATOM 0 HB2 HIS A 37 57.966 17.039 41.357 1.00 1.00 H new ATOM 0 HB3 HIS A 37 57.724 18.531 40.470 1.00 1.00 H new ATOM 0 HD2 HIS A 37 56.533 14.836 40.438 1.00 1.00 H new ATOM 0 HE1 HIS A 37 54.303 16.985 37.540 1.00 1.00 H new ATOM 0 HE2 HIS A 37 54.503 14.785 38.801 1.00 1.00 H new ATOM 590 N THR A 38 59.888 19.365 38.599 1.00 1.00 N ATOM 591 CA THR A 38 60.001 20.387 37.596 1.00 1.00 C ATOM 592 C THR A 38 60.778 19.960 36.385 1.00 1.00 C ATOM 593 O THR A 38 61.979 19.733 36.517 1.00 1.00 O ATOM 594 CB THR A 38 60.644 21.611 38.192 1.00 1.00 C ATOM 595 OG1 THR A 38 59.845 22.141 39.243 1.00 1.00 O ATOM 596 CG2 THR A 38 60.837 22.726 37.151 1.00 1.00 C ATOM 0 H THR A 38 60.267 19.677 39.493 1.00 1.00 H new ATOM 0 HA THR A 38 58.987 20.601 37.260 1.00 1.00 H new ATOM 0 HB THR A 38 61.616 21.290 38.568 1.00 1.00 H new ATOM 0 HG1 THR A 38 60.282 22.934 39.618 1.00 1.00 H new ATOM 0 HG21 THR A 38 61.304 23.589 37.625 1.00 1.00 H new ATOM 0 HG22 THR A 38 61.476 22.365 36.345 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.868 23.015 36.744 1.00 1.00 H new ATOM 604 N PRO A 39 60.238 19.794 35.203 1.00 1.00 N ATOM 605 CA PRO A 39 60.932 19.237 34.070 1.00 1.00 C ATOM 606 C PRO A 39 62.045 20.063 33.510 1.00 1.00 C ATOM 607 O PRO A 39 62.148 21.268 33.740 1.00 1.00 O ATOM 608 CB PRO A 39 59.845 19.011 33.017 1.00 1.00 C ATOM 609 CG PRO A 39 58.754 20.027 33.376 1.00 1.00 C ATOM 610 CD PRO A 39 58.831 20.024 34.907 1.00 1.00 C ATOM 0 HA PRO A 39 61.445 18.329 34.387 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.227 19.176 32.009 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.465 17.990 33.050 1.00 1.00 H new ATOM 0 HG2 PRO A 39 58.956 21.012 32.956 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.773 19.721 33.013 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.488 20.971 35.323 1.00 1.00 H new ATOM 0 HD3 PRO A 39 58.203 19.242 35.334 1.00 1.00 H new ATOM 618 N LEU A 40 62.910 19.421 32.703 1.00 1.00 N ATOM 619 CA LEU A 40 64.036 20.038 32.065 1.00 1.00 C ATOM 620 C LEU A 40 63.696 21.092 31.058 1.00 1.00 C ATOM 621 O LEU A 40 64.463 22.016 30.791 1.00 1.00 O ATOM 622 CB LEU A 40 65.191 19.086 31.706 1.00 1.00 C ATOM 623 CG LEU A 40 64.968 18.167 30.498 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.503 18.781 29.195 1.00 1.00 C ATOM 625 CD2 LEU A 40 65.686 16.836 30.775 1.00 1.00 C ATOM 0 H LEU A 40 62.822 18.429 32.485 1.00 1.00 H new ATOM 0 HA LEU A 40 64.488 20.632 32.859 1.00 1.00 H new ATOM 0 HB2 LEU A 40 66.082 19.685 31.519 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.402 18.463 32.575 1.00 1.00 H new ATOM 0 HG LEU A 40 63.896 18.019 30.365 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.322 18.094 28.368 1.00 1.00 H new ATOM 0 HD12 LEU A 40 64.993 19.724 29.001 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.574 18.961 29.290 1.00 1.00 H new ATOM 0 HD21 LEU A 40 65.543 16.163 29.930 1.00 1.00 H new ATOM 0 HD22 LEU A 40 66.751 17.020 30.917 1.00 1.00 H new ATOM 0 HD23 LEU A 40 65.274 16.381 31.675 1.00 1.00 H new ATOM 637 N SER A 41 62.496 21.022 30.455 1.00 1.00 N ATOM 638 CA SER A 41 61.943 22.076 29.653 1.00 1.00 C ATOM 639 C SER A 41 61.906 23.420 30.315 1.00 1.00 C ATOM 640 O SER A 41 61.992 24.448 29.646 1.00 1.00 O ATOM 641 CB SER A 41 60.520 21.739 29.163 1.00 1.00 C ATOM 642 OG SER A 41 59.596 21.615 30.236 1.00 1.00 O ATOM 0 H SER A 41 61.888 20.206 30.526 1.00 1.00 H new ATOM 0 HA SER A 41 62.634 22.145 28.813 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.179 22.518 28.481 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.544 20.808 28.597 1.00 1.00 H new ATOM 0 HG SER A 41 58.708 21.403 29.880 1.00 1.00 H new ATOM 648 N LYS A 42 61.794 23.491 31.656 1.00 1.00 N ATOM 649 CA LYS A 42 61.689 24.731 32.371 1.00 1.00 C ATOM 650 C LYS A 42 62.948 25.535 32.291 1.00 1.00 C ATOM 651 O LYS A 42 62.936 26.734 32.014 1.00 1.00 O ATOM 652 CB LYS A 42 61.310 24.441 33.836 1.00 1.00 C ATOM 653 CG LYS A 42 61.032 25.651 34.736 1.00 1.00 C ATOM 654 CD LYS A 42 59.820 26.499 34.338 1.00 1.00 C ATOM 655 CE LYS A 42 60.194 27.833 33.688 1.00 1.00 C ATOM 656 NZ LYS A 42 58.976 28.534 33.227 1.00 1.00 N ATOM 0 H LYS A 42 61.776 22.668 32.258 1.00 1.00 H new ATOM 0 HA LYS A 42 60.908 25.332 31.905 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.423 23.807 33.837 1.00 1.00 H new ATOM 0 HB3 LYS A 42 62.116 23.862 34.286 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.888 25.298 35.757 1.00 1.00 H new ATOM 0 HG3 LYS A 42 61.915 26.290 34.741 1.00 1.00 H new ATOM 0 HD2 LYS A 42 59.199 25.929 33.647 1.00 1.00 H new ATOM 0 HD3 LYS A 42 59.216 26.693 35.224 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.733 28.456 34.402 1.00 1.00 H new ATOM 0 HE3 LYS A 42 60.864 27.661 32.846 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 59.241 29.438 32.787 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 58.478 27.943 32.531 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 58.351 28.714 34.038 1.00 1.00 H new ATOM 670 N LEU A 43 64.115 24.883 32.462 1.00 1.00 N ATOM 671 CA LEU A 43 65.385 25.508 32.235 1.00 1.00 C ATOM 672 C LEU A 43 65.649 25.821 30.796 1.00 1.00 C ATOM 673 O LEU A 43 66.224 26.861 30.482 1.00 1.00 O ATOM 674 CB LEU A 43 66.575 24.762 32.867 1.00 1.00 C ATOM 675 CG LEU A 43 66.847 23.326 32.391 1.00 1.00 C ATOM 676 CD1 LEU A 43 68.327 23.093 32.058 1.00 1.00 C ATOM 677 CD2 LEU A 43 66.322 22.301 33.405 1.00 1.00 C ATOM 0 H LEU A 43 64.178 23.910 32.761 1.00 1.00 H new ATOM 0 HA LEU A 43 65.300 26.459 32.761 1.00 1.00 H new ATOM 0 HB2 LEU A 43 67.474 25.351 32.689 1.00 1.00 H new ATOM 0 HB3 LEU A 43 66.420 24.735 33.946 1.00 1.00 H new ATOM 0 HG LEU A 43 66.297 23.185 31.460 1.00 1.00 H new ATOM 0 HD11 LEU A 43 68.468 22.064 31.727 1.00 1.00 H new ATOM 0 HD12 LEU A 43 68.633 23.775 31.265 1.00 1.00 H new ATOM 0 HD13 LEU A 43 68.933 23.274 32.946 1.00 1.00 H new ATOM 0 HD21 LEU A 43 66.527 21.293 33.043 1.00 1.00 H new ATOM 0 HD22 LEU A 43 66.818 22.451 34.364 1.00 1.00 H new ATOM 0 HD23 LEU A 43 65.247 22.430 33.529 1.00 1.00 H new ATOM 689 N MET A 44 65.204 24.978 29.847 1.00 1.00 N ATOM 690 CA MET A 44 65.347 25.246 28.444 1.00 1.00 C ATOM 691 C MET A 44 64.663 26.496 27.985 1.00 1.00 C ATOM 692 O MET A 44 65.243 27.303 27.260 1.00 1.00 O ATOM 693 CB MET A 44 64.863 24.047 27.606 1.00 1.00 C ATOM 694 CG MET A 44 65.071 24.206 26.095 1.00 1.00 C ATOM 695 SD MET A 44 64.580 22.752 25.121 1.00 1.00 S ATOM 696 CE MET A 44 66.124 21.831 25.380 1.00 1.00 C ATOM 0 H MET A 44 64.737 24.095 30.054 1.00 1.00 H new ATOM 0 HA MET A 44 66.414 25.405 28.289 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.386 23.151 27.940 1.00 1.00 H new ATOM 0 HB3 MET A 44 63.802 23.888 27.800 1.00 1.00 H new ATOM 0 HG2 MET A 44 64.503 25.070 25.750 1.00 1.00 H new ATOM 0 HG3 MET A 44 66.123 24.419 25.904 1.00 1.00 H new ATOM 0 HE1 MET A 44 66.111 20.922 24.779 1.00 1.00 H new ATOM 0 HE2 MET A 44 66.971 22.450 25.083 1.00 1.00 H new ATOM 0 HE3 MET A 44 66.218 21.568 26.434 1.00 1.00 H new ATOM 706 N LYS A 45 63.421 26.752 28.436 1.00 1.00 N ATOM 707 CA LYS A 45 62.751 27.987 28.142 1.00 1.00 C ATOM 708 C LYS A 45 63.400 29.173 28.789 1.00 1.00 C ATOM 709 O LYS A 45 63.564 30.225 28.178 1.00 1.00 O ATOM 710 CB LYS A 45 61.244 27.910 28.450 1.00 1.00 C ATOM 711 CG LYS A 45 60.454 29.054 27.802 1.00 1.00 C ATOM 712 CD LYS A 45 58.937 28.831 27.771 1.00 1.00 C ATOM 713 CE LYS A 45 58.291 28.838 29.158 1.00 1.00 C ATOM 714 NZ LYS A 45 56.823 28.713 29.053 1.00 1.00 N ATOM 0 H LYS A 45 62.878 26.104 29.006 1.00 1.00 H new ATOM 0 HA LYS A 45 62.852 28.140 27.068 1.00 1.00 H new ATOM 0 HB2 LYS A 45 60.852 26.956 28.097 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.095 27.935 29.529 1.00 1.00 H new ATOM 0 HG2 LYS A 45 60.663 29.977 28.343 1.00 1.00 H new ATOM 0 HG3 LYS A 45 60.810 29.194 26.782 1.00 1.00 H new ATOM 0 HD2 LYS A 45 58.476 29.607 27.160 1.00 1.00 H new ATOM 0 HD3 LYS A 45 58.728 27.877 27.286 1.00 1.00 H new ATOM 0 HE2 LYS A 45 58.689 28.016 29.754 1.00 1.00 H new ATOM 0 HE3 LYS A 45 58.546 29.761 29.678 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 56.405 28.720 30.005 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 56.445 29.511 28.503 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 56.584 27.820 28.576 1.00 1.00 H new ATOM 728 N ALA A 46 63.872 29.036 30.043 1.00 1.00 N ATOM 729 CA ALA A 46 64.566 30.075 30.750 1.00 1.00 C ATOM 730 C ALA A 46 65.883 30.461 30.147 1.00 1.00 C ATOM 731 O ALA A 46 66.259 31.633 30.114 1.00 1.00 O ATOM 732 CB ALA A 46 64.731 29.667 32.224 1.00 1.00 C ATOM 0 H ALA A 46 63.769 28.177 30.583 1.00 1.00 H new ATOM 0 HA ALA A 46 63.950 30.971 30.672 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.258 30.455 32.763 1.00 1.00 H new ATOM 0 HB2 ALA A 46 63.749 29.515 32.672 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.303 28.741 32.283 1.00 1.00 H new ATOM 738 N TYR A 47 66.625 29.486 29.590 1.00 1.00 N ATOM 739 CA TYR A 47 67.821 29.659 28.815 1.00 1.00 C ATOM 740 C TYR A 47 67.560 30.517 27.616 1.00 1.00 C ATOM 741 O TYR A 47 68.285 31.466 27.328 1.00 1.00 O ATOM 742 CB TYR A 47 68.322 28.261 28.392 1.00 1.00 C ATOM 743 CG TYR A 47 69.656 28.129 27.728 1.00 1.00 C ATOM 744 CD1 TYR A 47 70.678 29.056 27.827 1.00 1.00 C ATOM 745 CD2 TYR A 47 69.891 26.972 27.005 1.00 1.00 C ATOM 746 CE1 TYR A 47 71.893 28.853 27.194 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.100 26.755 26.370 1.00 1.00 C ATOM 748 CZ TYR A 47 72.101 27.703 26.455 1.00 1.00 C ATOM 749 OH TYR A 47 73.293 27.491 25.728 1.00 1.00 O ATOM 0 H TYR A 47 66.371 28.503 29.688 1.00 1.00 H new ATOM 0 HA TYR A 47 68.582 30.163 29.411 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.337 27.635 29.284 1.00 1.00 H new ATOM 0 HB3 TYR A 47 67.578 27.837 27.718 1.00 1.00 H new ATOM 0 HD1 TYR A 47 70.526 29.954 28.408 1.00 1.00 H new ATOM 0 HD2 TYR A 47 69.115 26.224 26.936 1.00 1.00 H new ATOM 0 HE1 TYR A 47 72.677 29.592 27.277 1.00 1.00 H new ATOM 0 HE2 TYR A 47 71.261 25.846 25.809 1.00 1.00 H new ATOM 0 HH TYR A 47 73.250 26.623 25.274 1.00 1.00 H new ATOM 759 N CYS A 48 66.440 30.279 26.910 1.00 1.00 N ATOM 760 CA CYS A 48 65.994 31.079 25.806 1.00 1.00 C ATOM 761 C CYS A 48 65.688 32.499 26.166 1.00 1.00 C ATOM 762 O CYS A 48 66.058 33.421 25.440 1.00 1.00 O ATOM 763 CB CYS A 48 64.773 30.443 25.115 1.00 1.00 C ATOM 764 SG CYS A 48 65.171 28.795 24.457 1.00 1.00 S ATOM 0 H CYS A 48 65.818 29.497 27.115 1.00 1.00 H new ATOM 0 HA CYS A 48 66.837 31.106 25.116 1.00 1.00 H new ATOM 0 HB2 CYS A 48 63.950 30.364 25.826 1.00 1.00 H new ATOM 0 HB3 CYS A 48 64.434 31.088 24.305 1.00 1.00 H new ATOM 0 HG CYS A 48 65.266 27.947 25.438 1.00 1.00 H new ATOM 770 N GLU A 49 65.031 32.750 27.314 1.00 1.00 N ATOM 771 CA GLU A 49 64.761 34.075 27.797 1.00 1.00 C ATOM 772 C GLU A 49 65.975 34.851 28.209 1.00 1.00 C ATOM 773 O GLU A 49 66.161 35.994 27.792 1.00 1.00 O ATOM 774 CB GLU A 49 63.729 34.029 28.943 1.00 1.00 C ATOM 775 CG GLU A 49 62.396 33.403 28.505 1.00 1.00 C ATOM 776 CD GLU A 49 61.228 33.732 29.420 1.00 1.00 C ATOM 777 OE1 GLU A 49 60.661 34.848 29.282 1.00 1.00 O ATOM 778 OE2 GLU A 49 60.811 32.881 30.252 1.00 1.00 O ATOM 0 H GLU A 49 64.677 32.013 27.924 1.00 1.00 H new ATOM 0 HA GLU A 49 64.350 34.618 26.946 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.140 33.458 29.775 1.00 1.00 H new ATOM 0 HB3 GLU A 49 63.550 35.040 29.308 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.161 33.743 27.496 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.513 32.320 28.457 1.00 1.00 H new ATOM 785 N ARG A 50 66.887 34.261 29.006 1.00 1.00 N ATOM 786 CA ARG A 50 68.082 34.937 29.430 1.00 1.00 C ATOM 787 C ARG A 50 69.136 35.117 28.385 1.00 1.00 C ATOM 788 O ARG A 50 69.754 36.175 28.273 1.00 1.00 O ATOM 789 CB ARG A 50 68.747 34.232 30.629 1.00 1.00 C ATOM 790 CG ARG A 50 68.315 34.873 31.950 1.00 1.00 C ATOM 791 CD ARG A 50 69.449 34.709 32.959 1.00 1.00 C ATOM 792 NE ARG A 50 69.043 35.422 34.203 1.00 1.00 N ATOM 793 CZ ARG A 50 69.919 35.887 35.128 1.00 1.00 C ATOM 794 NH1 ARG A 50 71.263 35.795 34.977 1.00 1.00 N ATOM 795 NH2 ARG A 50 69.420 36.420 36.270 1.00 1.00 N ATOM 0 H ARG A 50 66.798 33.309 29.360 1.00 1.00 H new ATOM 0 HA ARG A 50 67.709 35.926 29.695 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.479 33.175 30.629 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.831 34.286 30.532 1.00 1.00 H new ATOM 0 HG2 ARG A 50 68.088 35.929 31.803 1.00 1.00 H new ATOM 0 HG3 ARG A 50 67.406 34.400 32.321 1.00 1.00 H new ATOM 0 HD2 ARG A 50 69.632 33.654 33.163 1.00 1.00 H new ATOM 0 HD3 ARG A 50 70.377 35.123 32.565 1.00 1.00 H new ATOM 0 HE ARG A 50 68.047 35.569 34.369 1.00 1.00 H new ATOM 0 HH11 ARG A 50 71.654 35.362 34.140 1.00 1.00 H new ATOM 0 HH12 ARG A 50 71.884 36.159 35.700 1.00 1.00 H new ATOM 0 HH21 ARG A 50 68.411 36.463 36.415 1.00 1.00 H new ATOM 0 HH22 ARG A 50 70.053 36.778 36.985 1.00 1.00 H new ATOM 809 N GLN A 51 69.390 34.065 27.588 1.00 1.00 N ATOM 810 CA GLN A 51 70.563 33.958 26.775 1.00 1.00 C ATOM 811 C GLN A 51 70.242 34.026 25.312 1.00 1.00 C ATOM 812 O GLN A 51 71.125 33.948 24.460 1.00 1.00 O ATOM 813 CB GLN A 51 71.255 32.640 27.174 1.00 1.00 C ATOM 814 CG GLN A 51 71.776 32.566 28.618 1.00 1.00 C ATOM 815 CD GLN A 51 72.691 33.712 29.030 1.00 1.00 C ATOM 816 OE1 GLN A 51 72.381 34.509 29.915 1.00 1.00 O ATOM 817 NE2 GLN A 51 73.878 33.782 28.378 1.00 1.00 N ATOM 0 H GLN A 51 68.762 33.265 27.506 1.00 1.00 H new ATOM 0 HA GLN A 51 71.233 34.801 26.946 1.00 1.00 H new ATOM 0 HB2 GLN A 51 70.552 31.822 27.020 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.093 32.472 26.497 1.00 1.00 H new ATOM 0 HG2 GLN A 51 70.923 32.540 29.296 1.00 1.00 H new ATOM 0 HG3 GLN A 51 72.314 31.627 28.747 1.00 1.00 H new ATOM 0 HE21 GLN A 51 74.101 33.104 27.650 1.00 1.00 H new ATOM 0 HE22 GLN A 51 74.548 34.513 28.616 1.00 1.00 H new ATOM 826 N GLY A 52 68.965 34.258 24.955 1.00 1.00 N ATOM 827 CA GLY A 52 68.576 34.758 23.664 1.00 1.00 C ATOM 828 C GLY A 52 68.413 33.763 22.562 1.00 1.00 C ATOM 829 O GLY A 52 68.543 34.108 21.388 1.00 1.00 O ATOM 0 H GLY A 52 68.176 34.094 25.581 1.00 1.00 H new ATOM 0 HA2 GLY A 52 67.632 35.290 23.779 1.00 1.00 H new ATOM 0 HA3 GLY A 52 69.319 35.491 23.349 1.00 1.00 H new ATOM 833 N LEU A 53 68.141 32.489 22.890 1.00 1.00 N ATOM 834 CA LEU A 53 68.138 31.388 21.967 1.00 1.00 C ATOM 835 C LEU A 53 66.755 30.954 21.588 1.00 1.00 C ATOM 836 O LEU A 53 65.774 31.347 22.216 1.00 1.00 O ATOM 837 CB LEU A 53 68.891 30.184 22.563 1.00 1.00 C ATOM 838 CG LEU A 53 70.246 30.532 23.209 1.00 1.00 C ATOM 839 CD1 LEU A 53 70.900 29.261 23.772 1.00 1.00 C ATOM 840 CD2 LEU A 53 71.227 31.224 22.247 1.00 1.00 C ATOM 0 H LEU A 53 67.912 32.208 23.843 1.00 1.00 H new ATOM 0 HA LEU A 53 68.639 31.742 21.066 1.00 1.00 H new ATOM 0 HB2 LEU A 53 68.257 29.710 23.312 1.00 1.00 H new ATOM 0 HB3 LEU A 53 69.057 29.449 21.775 1.00 1.00 H new ATOM 0 HG LEU A 53 70.029 31.242 24.007 1.00 1.00 H new ATOM 0 HD11 LEU A 53 71.857 29.515 24.227 1.00 1.00 H new ATOM 0 HD12 LEU A 53 70.247 28.818 24.524 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.060 28.546 22.965 1.00 1.00 H new ATOM 0 HD21 LEU A 53 72.159 31.439 22.770 1.00 1.00 H new ATOM 0 HD22 LEU A 53 71.429 30.569 21.400 1.00 1.00 H new ATOM 0 HD23 LEU A 53 70.789 32.155 21.888 1.00 1.00 H new ATOM 852 N SER A 54 66.608 30.122 20.538 1.00 1.00 N ATOM 853 CA SER A 54 65.365 29.499 20.175 1.00 1.00 C ATOM 854 C SER A 54 65.353 28.074 20.629 1.00 1.00 C ATOM 855 O SER A 54 66.304 27.330 20.395 1.00 1.00 O ATOM 856 CB SER A 54 65.145 29.454 18.651 1.00 1.00 C ATOM 857 OG SER A 54 64.770 30.735 18.161 1.00 1.00 O ATOM 0 H SER A 54 67.380 29.873 19.919 1.00 1.00 H new ATOM 0 HA SER A 54 64.586 30.097 20.648 1.00 1.00 H new ATOM 0 HB2 SER A 54 66.058 29.122 18.156 1.00 1.00 H new ATOM 0 HB3 SER A 54 64.370 28.726 18.411 1.00 1.00 H new ATOM 0 HG SER A 54 64.636 30.688 17.191 1.00 1.00 H new ATOM 863 N MET A 55 64.266 27.605 21.271 1.00 1.00 N ATOM 864 CA MET A 55 64.233 26.323 21.916 1.00 1.00 C ATOM 865 C MET A 55 64.332 25.140 21.004 1.00 1.00 C ATOM 866 O MET A 55 64.828 24.088 21.399 1.00 1.00 O ATOM 867 CB MET A 55 63.058 26.157 22.901 1.00 1.00 C ATOM 868 CG MET A 55 61.673 25.918 22.290 1.00 1.00 C ATOM 869 SD MET A 55 60.367 25.645 23.527 1.00 1.00 S ATOM 870 CE MET A 55 60.201 27.371 24.069 1.00 1.00 C ATOM 0 H MET A 55 63.392 28.125 21.345 1.00 1.00 H new ATOM 0 HA MET A 55 65.158 26.330 22.493 1.00 1.00 H new ATOM 0 HB2 MET A 55 63.286 25.322 23.564 1.00 1.00 H new ATOM 0 HB3 MET A 55 63.006 27.052 23.522 1.00 1.00 H new ATOM 0 HG2 MET A 55 61.404 26.776 21.674 1.00 1.00 H new ATOM 0 HG3 MET A 55 61.721 25.053 21.628 1.00 1.00 H new ATOM 0 HE1 MET A 55 60.473 27.450 25.122 1.00 1.00 H new ATOM 0 HE2 MET A 55 60.861 28.004 23.475 1.00 1.00 H new ATOM 0 HE3 MET A 55 59.169 27.697 23.936 1.00 1.00 H new ATOM 880 N ARG A 56 63.933 25.264 19.724 1.00 1.00 N ATOM 881 CA ARG A 56 64.003 24.179 18.786 1.00 1.00 C ATOM 882 C ARG A 56 65.331 24.091 18.099 1.00 1.00 C ATOM 883 O ARG A 56 65.591 23.176 17.318 1.00 1.00 O ATOM 884 CB ARG A 56 62.876 24.318 17.745 1.00 1.00 C ATOM 885 CG ARG A 56 63.018 25.482 16.757 1.00 1.00 C ATOM 886 CD ARG A 56 61.685 25.869 16.112 1.00 1.00 C ATOM 887 NE ARG A 56 61.935 26.942 15.106 1.00 1.00 N ATOM 888 CZ ARG A 56 62.115 28.255 15.397 1.00 1.00 C ATOM 889 NH1 ARG A 56 62.135 28.747 16.659 1.00 1.00 N ATOM 890 NH2 ARG A 56 62.310 29.131 14.381 1.00 1.00 N ATOM 0 H ARG A 56 63.557 26.127 19.333 1.00 1.00 H new ATOM 0 HA ARG A 56 63.878 23.255 19.351 1.00 1.00 H new ATOM 0 HB2 ARG A 56 62.816 23.390 17.177 1.00 1.00 H new ATOM 0 HB3 ARG A 56 61.930 24.430 18.275 1.00 1.00 H new ATOM 0 HG2 ARG A 56 63.431 26.347 17.276 1.00 1.00 H new ATOM 0 HG3 ARG A 56 63.729 25.208 15.978 1.00 1.00 H new ATOM 0 HD2 ARG A 56 61.230 25.001 15.634 1.00 1.00 H new ATOM 0 HD3 ARG A 56 60.985 26.218 16.871 1.00 1.00 H new ATOM 0 HE ARG A 56 61.974 26.668 14.124 1.00 1.00 H new ATOM 0 HH11 ARG A 56 62.011 28.119 17.453 1.00 1.00 H new ATOM 0 HH12 ARG A 56 62.275 29.745 16.815 1.00 1.00 H new ATOM 0 HH21 ARG A 56 62.320 28.799 13.416 1.00 1.00 H new ATOM 0 HH22 ARG A 56 62.447 30.122 14.581 1.00 1.00 H new ATOM 904 N GLN A 57 66.254 25.023 18.404 1.00 1.00 N ATOM 905 CA GLN A 57 67.584 25.049 17.871 1.00 1.00 C ATOM 906 C GLN A 57 68.590 24.550 18.862 1.00 1.00 C ATOM 907 O GLN A 57 69.763 24.373 18.539 1.00 1.00 O ATOM 908 CB GLN A 57 67.905 26.494 17.445 1.00 1.00 C ATOM 909 CG GLN A 57 67.226 26.849 16.116 1.00 1.00 C ATOM 910 CD GLN A 57 67.439 28.314 15.760 1.00 1.00 C ATOM 911 OE1 GLN A 57 68.431 28.935 16.144 1.00 1.00 O ATOM 912 NE2 GLN A 57 66.467 28.902 15.017 1.00 1.00 N ATOM 0 H GLN A 57 66.066 25.791 19.049 1.00 1.00 H new ATOM 0 HA GLN A 57 67.639 24.382 17.011 1.00 1.00 H new ATOM 0 HB2 GLN A 57 67.575 27.185 18.220 1.00 1.00 H new ATOM 0 HB3 GLN A 57 68.984 26.615 17.348 1.00 1.00 H new ATOM 0 HG2 GLN A 57 67.624 26.218 15.322 1.00 1.00 H new ATOM 0 HG3 GLN A 57 66.158 26.640 16.184 1.00 1.00 H new ATOM 0 HE21 GLN A 57 65.658 28.360 14.715 1.00 1.00 H new ATOM 0 HE22 GLN A 57 66.546 29.886 14.761 1.00 1.00 H new ATOM 921 N ILE A 58 68.166 24.248 20.104 1.00 1.00 N ATOM 922 CA ILE A 58 69.010 23.676 21.115 1.00 1.00 C ATOM 923 C ILE A 58 68.504 22.337 21.553 1.00 1.00 C ATOM 924 O ILE A 58 67.303 22.092 21.656 1.00 1.00 O ATOM 925 CB ILE A 58 69.195 24.570 22.315 1.00 1.00 C ATOM 926 CG1 ILE A 58 67.860 25.124 22.848 1.00 1.00 C ATOM 927 CG2 ILE A 58 70.164 25.699 21.916 1.00 1.00 C ATOM 928 CD1 ILE A 58 67.992 25.882 24.170 1.00 1.00 C ATOM 0 H ILE A 58 67.208 24.406 20.416 1.00 1.00 H new ATOM 0 HA ILE A 58 69.987 23.558 20.647 1.00 1.00 H new ATOM 0 HB ILE A 58 69.613 23.990 23.138 1.00 1.00 H new ATOM 0 HG12 ILE A 58 67.428 25.789 22.100 1.00 1.00 H new ATOM 0 HG13 ILE A 58 67.161 24.298 22.981 1.00 1.00 H new ATOM 0 HG21 ILE A 58 70.318 26.364 22.766 1.00 1.00 H new ATOM 0 HG22 ILE A 58 71.119 25.269 21.614 1.00 1.00 H new ATOM 0 HG23 ILE A 58 69.742 26.264 21.085 1.00 1.00 H new ATOM 0 HD11 ILE A 58 67.012 26.242 24.482 1.00 1.00 H new ATOM 0 HD12 ILE A 58 68.394 25.215 24.933 1.00 1.00 H new ATOM 0 HD13 ILE A 58 68.665 26.729 24.038 1.00 1.00 H new ATOM 940 N ARG A 59 69.416 21.385 21.825 1.00 1.00 N ATOM 941 CA ARG A 59 69.086 20.105 22.380 1.00 1.00 C ATOM 942 C ARG A 59 70.115 19.784 23.415 1.00 1.00 C ATOM 943 O ARG A 59 71.289 20.130 23.285 1.00 1.00 O ATOM 944 CB ARG A 59 69.076 18.979 21.328 1.00 1.00 C ATOM 945 CG ARG A 59 67.841 18.976 20.420 1.00 1.00 C ATOM 946 CD ARG A 59 66.559 18.470 21.090 1.00 1.00 C ATOM 947 NE ARG A 59 66.694 16.991 21.225 1.00 1.00 N ATOM 948 CZ ARG A 59 65.811 16.183 21.863 1.00 1.00 C ATOM 949 NH1 ARG A 59 64.807 16.657 22.638 1.00 1.00 N ATOM 950 NH2 ARG A 59 65.936 14.842 21.706 1.00 1.00 N ATOM 0 H ARG A 59 70.414 21.508 21.654 1.00 1.00 H new ATOM 0 HA ARG A 59 68.080 20.163 22.796 1.00 1.00 H new ATOM 0 HB2 ARG A 59 69.968 19.069 20.708 1.00 1.00 H new ATOM 0 HB3 ARG A 59 69.139 18.019 21.840 1.00 1.00 H new ATOM 0 HG2 ARG A 59 67.670 19.990 20.057 1.00 1.00 H new ATOM 0 HG3 ARG A 59 68.049 18.356 19.548 1.00 1.00 H new ATOM 0 HD2 ARG A 59 66.424 18.936 22.066 1.00 1.00 H new ATOM 0 HD3 ARG A 59 65.684 18.725 20.491 1.00 1.00 H new ATOM 0 HE ARG A 59 67.514 16.553 20.805 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.690 17.663 22.762 1.00 1.00 H new ATOM 0 HH12 ARG A 59 64.168 16.008 23.098 1.00 1.00 H new ATOM 0 HH21 ARG A 59 66.680 14.464 21.120 1.00 1.00 H new ATOM 0 HH22 ARG A 59 65.286 14.211 22.174 1.00 1.00 H new ATOM 964 N PHE A 60 69.702 19.129 24.513 1.00 1.00 N ATOM 965 CA PHE A 60 70.572 18.856 25.618 1.00 1.00 C ATOM 966 C PHE A 60 70.942 17.407 25.611 1.00 1.00 C ATOM 967 O PHE A 60 70.153 16.537 25.244 1.00 1.00 O ATOM 968 CB PHE A 60 69.905 19.208 26.963 1.00 1.00 C ATOM 969 CG PHE A 60 69.542 20.645 27.159 1.00 1.00 C ATOM 970 CD1 PHE A 60 70.040 21.696 26.405 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.654 20.931 28.181 1.00 1.00 C ATOM 972 CE1 PHE A 60 69.615 22.992 26.630 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.232 22.225 28.425 1.00 1.00 C ATOM 974 CZ PHE A 60 68.711 23.258 27.642 1.00 1.00 C ATOM 0 H PHE A 60 68.751 18.783 24.638 1.00 1.00 H new ATOM 0 HA PHE A 60 71.463 19.474 25.510 1.00 1.00 H new ATOM 0 HB2 PHE A 60 69.001 18.608 27.065 1.00 1.00 H new ATOM 0 HB3 PHE A 60 70.577 18.911 27.768 1.00 1.00 H new ATOM 0 HD1 PHE A 60 70.769 21.500 25.632 1.00 1.00 H new ATOM 0 HD2 PHE A 60 68.283 20.128 28.800 1.00 1.00 H new ATOM 0 HE1 PHE A 60 69.989 23.797 26.015 1.00 1.00 H new ATOM 0 HE2 PHE A 60 67.532 22.427 29.223 1.00 1.00 H new ATOM 0 HZ PHE A 60 68.380 24.271 27.820 1.00 1.00 H new ATOM 984 N ARG A 61 72.184 17.099 26.022 1.00 1.00 N ATOM 985 CA ARG A 61 72.689 15.762 26.122 1.00 1.00 C ATOM 986 C ARG A 61 73.107 15.482 27.528 1.00 1.00 C ATOM 987 O ARG A 61 73.505 16.365 28.287 1.00 1.00 O ATOM 988 CB ARG A 61 73.920 15.488 25.234 1.00 1.00 C ATOM 989 CG ARG A 61 73.681 15.706 23.736 1.00 1.00 C ATOM 990 CD ARG A 61 74.764 15.141 22.810 1.00 1.00 C ATOM 991 NE ARG A 61 76.077 15.715 23.223 1.00 1.00 N ATOM 992 CZ ARG A 61 77.282 15.201 22.867 1.00 1.00 C ATOM 993 NH1 ARG A 61 77.464 14.332 21.845 1.00 1.00 N ATOM 994 NH2 ARG A 61 78.364 15.586 23.585 1.00 1.00 N ATOM 0 H ARG A 61 72.865 17.808 26.296 1.00 1.00 H new ATOM 0 HA ARG A 61 71.872 15.122 25.789 1.00 1.00 H new ATOM 0 HB2 ARG A 61 74.737 16.134 25.557 1.00 1.00 H new ATOM 0 HB3 ARG A 61 74.245 14.460 25.392 1.00 1.00 H new ATOM 0 HG2 ARG A 61 72.726 15.255 23.468 1.00 1.00 H new ATOM 0 HG3 ARG A 61 73.591 16.776 23.551 1.00 1.00 H new ATOM 0 HD2 ARG A 61 74.788 14.053 22.873 1.00 1.00 H new ATOM 0 HD3 ARG A 61 74.547 15.395 21.772 1.00 1.00 H new ATOM 0 HE ARG A 61 76.069 16.548 23.811 1.00 1.00 H new ATOM 0 HH11 ARG A 61 76.666 14.025 21.289 1.00 1.00 H new ATOM 0 HH12 ARG A 61 78.399 13.984 21.631 1.00 1.00 H new ATOM 0 HH21 ARG A 61 78.255 16.239 24.361 1.00 1.00 H new ATOM 0 HH22 ARG A 61 79.288 15.223 23.350 1.00 1.00 H new ATOM 1008 N PHE A 62 73.048 14.191 27.896 1.00 1.00 N ATOM 1009 CA PHE A 62 73.727 13.668 29.043 1.00 1.00 C ATOM 1010 C PHE A 62 74.510 12.488 28.564 1.00 1.00 C ATOM 1011 O PHE A 62 73.933 11.539 28.037 1.00 1.00 O ATOM 1012 CB PHE A 62 72.694 13.241 30.104 1.00 1.00 C ATOM 1013 CG PHE A 62 73.275 12.518 31.275 1.00 1.00 C ATOM 1014 CD1 PHE A 62 74.066 13.172 32.203 1.00 1.00 C ATOM 1015 CD2 PHE A 62 73.031 11.164 31.433 1.00 1.00 C ATOM 1016 CE1 PHE A 62 74.599 12.483 33.279 1.00 1.00 C ATOM 1017 CE2 PHE A 62 73.547 10.473 32.515 1.00 1.00 C ATOM 1018 CZ PHE A 62 74.332 11.136 33.440 1.00 1.00 C ATOM 0 H PHE A 62 72.514 13.490 27.383 1.00 1.00 H new ATOM 0 HA PHE A 62 74.383 14.409 29.500 1.00 1.00 H new ATOM 0 HB2 PHE A 62 72.172 14.128 30.463 1.00 1.00 H new ATOM 0 HB3 PHE A 62 71.949 12.602 29.631 1.00 1.00 H new ATOM 0 HD1 PHE A 62 74.269 14.226 32.087 1.00 1.00 H new ATOM 0 HD2 PHE A 62 72.431 10.641 30.703 1.00 1.00 H new ATOM 0 HE1 PHE A 62 75.224 12.998 33.993 1.00 1.00 H new ATOM 0 HE2 PHE A 62 73.337 9.420 32.636 1.00 1.00 H new ATOM 0 HZ PHE A 62 74.736 10.602 34.287 1.00 1.00 H new ATOM 1028 N ASP A 63 75.850 12.514 28.700 1.00 1.00 N ATOM 1029 CA ASP A 63 76.730 11.419 28.407 1.00 1.00 C ATOM 1030 C ASP A 63 76.542 10.848 27.032 1.00 1.00 C ATOM 1031 O ASP A 63 76.451 9.639 26.822 1.00 1.00 O ATOM 1032 CB ASP A 63 76.682 10.410 29.573 1.00 1.00 C ATOM 1033 CG ASP A 63 77.782 9.361 29.539 1.00 1.00 C ATOM 1034 OD1 ASP A 63 78.985 9.730 29.494 1.00 1.00 O ATOM 1035 OD2 ASP A 63 77.447 8.146 29.587 1.00 1.00 O ATOM 0 H ASP A 63 76.346 13.341 29.031 1.00 1.00 H new ATOM 0 HA ASP A 63 77.756 11.781 28.349 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.746 10.957 30.514 1.00 1.00 H new ATOM 0 HB3 ASP A 63 75.715 9.906 29.563 1.00 1.00 H new ATOM 1040 N GLY A 64 76.448 11.730 26.019 1.00 1.00 N ATOM 1041 CA GLY A 64 76.300 11.362 24.640 1.00 1.00 C ATOM 1042 C GLY A 64 74.943 10.950 24.170 1.00 1.00 C ATOM 1043 O GLY A 64 74.806 10.578 23.006 1.00 1.00 O ATOM 0 H GLY A 64 76.476 12.739 26.164 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.623 12.207 24.032 1.00 1.00 H new ATOM 0 HA3 GLY A 64 76.988 10.541 24.437 1.00 1.00 H new ATOM 1047 N GLN A 65 73.882 11.002 24.998 1.00 1.00 N ATOM 1048 CA GLN A 65 72.555 10.684 24.554 1.00 1.00 C ATOM 1049 C GLN A 65 71.667 11.869 24.780 1.00 1.00 C ATOM 1050 O GLN A 65 71.882 12.578 25.763 1.00 1.00 O ATOM 1051 CB GLN A 65 71.972 9.427 25.230 1.00 1.00 C ATOM 1052 CG GLN A 65 71.983 9.454 26.763 1.00 1.00 C ATOM 1053 CD GLN A 65 71.174 8.317 27.371 1.00 1.00 C ATOM 1054 OE1 GLN A 65 70.177 8.550 28.054 1.00 1.00 O ATOM 1055 NE2 GLN A 65 71.619 7.053 27.145 1.00 1.00 N ATOM 0 H GLN A 65 73.943 11.266 25.981 1.00 1.00 H new ATOM 0 HA GLN A 65 72.610 10.451 23.491 1.00 1.00 H new ATOM 0 HB2 GLN A 65 70.945 9.293 24.891 1.00 1.00 H new ATOM 0 HB3 GLN A 65 72.535 8.557 24.892 1.00 1.00 H new ATOM 0 HG2 GLN A 65 73.012 9.393 27.117 1.00 1.00 H new ATOM 0 HG3 GLN A 65 71.582 10.407 27.109 1.00 1.00 H new ATOM 0 HE21 GLN A 65 72.450 6.899 26.573 1.00 1.00 H new ATOM 0 HE22 GLN A 65 71.122 6.258 27.547 1.00 1.00 H new ATOM 1064 N PRO A 66 70.695 12.192 23.965 1.00 1.00 N ATOM 1065 CA PRO A 66 69.803 13.289 24.237 1.00 1.00 C ATOM 1066 C PRO A 66 68.900 13.054 25.406 1.00 1.00 C ATOM 1067 O PRO A 66 68.517 11.919 25.687 1.00 1.00 O ATOM 1068 CB PRO A 66 68.985 13.475 22.957 1.00 1.00 C ATOM 1069 CG PRO A 66 69.856 12.845 21.862 1.00 1.00 C ATOM 1070 CD PRO A 66 70.513 11.681 22.613 1.00 1.00 C ATOM 0 HA PRO A 66 70.379 14.174 24.508 1.00 1.00 H new ATOM 0 HB2 PRO A 66 68.016 12.982 23.028 1.00 1.00 H new ATOM 0 HB3 PRO A 66 68.793 14.529 22.756 1.00 1.00 H new ATOM 0 HG2 PRO A 66 69.262 12.502 21.015 1.00 1.00 H new ATOM 0 HG3 PRO A 66 70.593 13.547 21.471 1.00 1.00 H new ATOM 0 HD2 PRO A 66 69.881 10.793 22.604 1.00 1.00 H new ATOM 0 HD3 PRO A 66 71.464 11.400 22.161 1.00 1.00 H new ATOM 1078 N ILE A 67 68.527 14.141 26.101 1.00 1.00 N ATOM 1079 CA ILE A 67 67.556 14.144 27.156 1.00 1.00 C ATOM 1080 C ILE A 67 66.435 15.011 26.682 1.00 1.00 C ATOM 1081 O ILE A 67 66.630 15.995 25.970 1.00 1.00 O ATOM 1082 CB ILE A 67 68.107 14.614 28.477 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.836 15.964 28.335 1.00 1.00 C ATOM 1084 CG2 ILE A 67 69.033 13.509 29.016 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.471 16.483 29.623 1.00 1.00 C ATOM 0 H ILE A 67 68.920 15.065 25.921 1.00 1.00 H new ATOM 0 HA ILE A 67 67.221 13.126 27.357 1.00 1.00 H new ATOM 0 HB ILE A 67 67.297 14.790 29.184 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.613 15.864 27.577 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.128 16.708 27.969 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.450 13.819 29.974 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.463 12.589 29.148 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.843 13.335 28.307 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.961 17.437 29.428 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.699 16.620 30.380 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.207 15.763 29.981 1.00 1.00 H new ATOM 1097 N ASN A 68 65.183 14.630 26.991 1.00 1.00 N ATOM 1098 CA ASN A 68 64.044 15.156 26.298 1.00 1.00 C ATOM 1099 C ASN A 68 63.234 16.004 27.224 1.00 1.00 C ATOM 1100 O ASN A 68 63.465 16.065 28.429 1.00 1.00 O ATOM 1101 CB ASN A 68 63.185 14.018 25.718 1.00 1.00 C ATOM 1102 CG ASN A 68 64.010 13.249 24.696 1.00 1.00 C ATOM 1103 OD1 ASN A 68 64.171 13.706 23.564 1.00 1.00 O ATOM 1104 ND2 ASN A 68 64.545 12.062 25.082 1.00 1.00 N ATOM 0 H ASN A 68 64.957 13.956 27.722 1.00 1.00 H new ATOM 0 HA ASN A 68 64.393 15.771 25.469 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.855 13.351 26.515 1.00 1.00 H new ATOM 0 HB3 ASN A 68 62.288 14.424 25.250 1.00 1.00 H new ATOM 0 HD21 ASN A 68 65.102 11.516 24.425 1.00 1.00 H new ATOM 0 HD22 ASN A 68 64.389 11.716 26.029 1.00 1.00 H new ATOM 1111 N GLU A 69 62.226 16.726 26.708 1.00 1.00 N ATOM 1112 CA GLU A 69 61.431 17.619 27.503 1.00 1.00 C ATOM 1113 C GLU A 69 60.475 16.907 28.409 1.00 1.00 C ATOM 1114 O GLU A 69 59.993 17.463 29.396 1.00 1.00 O ATOM 1115 CB GLU A 69 60.735 18.605 26.549 1.00 1.00 C ATOM 1116 CG GLU A 69 61.762 19.575 25.947 1.00 1.00 C ATOM 1117 CD GLU A 69 61.360 20.079 24.572 1.00 1.00 C ATOM 1118 OE1 GLU A 69 61.639 19.357 23.577 1.00 1.00 O ATOM 1119 OE2 GLU A 69 60.793 21.195 24.447 1.00 1.00 O ATOM 0 H GLU A 69 61.955 16.693 25.725 1.00 1.00 H new ATOM 0 HA GLU A 69 62.077 18.168 28.187 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.231 18.057 25.753 1.00 1.00 H new ATOM 0 HB3 GLU A 69 59.969 19.163 27.087 1.00 1.00 H new ATOM 0 HG2 GLU A 69 61.889 20.425 26.618 1.00 1.00 H new ATOM 0 HG3 GLU A 69 62.729 19.076 25.878 1.00 1.00 H new ATOM 1126 N THR A 70 60.218 15.613 28.141 1.00 1.00 N ATOM 1127 CA THR A 70 59.535 14.706 29.021 1.00 1.00 C ATOM 1128 C THR A 70 60.451 14.102 30.044 1.00 1.00 C ATOM 1129 O THR A 70 59.997 13.578 31.060 1.00 1.00 O ATOM 1130 CB THR A 70 58.775 13.649 28.259 1.00 1.00 C ATOM 1131 OG1 THR A 70 57.943 14.268 27.286 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.819 12.836 29.147 1.00 1.00 C ATOM 0 H THR A 70 60.501 15.174 27.265 1.00 1.00 H new ATOM 0 HA THR A 70 58.803 15.299 29.569 1.00 1.00 H new ATOM 0 HB THR A 70 59.533 12.994 27.829 1.00 1.00 H new ATOM 0 HG1 THR A 70 57.451 13.580 26.791 1.00 1.00 H new ATOM 0 HG21 THR A 70 57.302 12.093 28.540 1.00 1.00 H new ATOM 0 HG22 THR A 70 58.388 12.334 29.930 1.00 1.00 H new ATOM 0 HG23 THR A 70 57.088 13.504 29.602 1.00 1.00 H new ATOM 1140 N ASP A 71 61.787 14.203 29.900 1.00 1.00 N ATOM 1141 CA ASP A 71 62.726 13.877 30.932 1.00 1.00 C ATOM 1142 C ASP A 71 62.802 14.966 31.960 1.00 1.00 C ATOM 1143 O ASP A 71 62.281 16.071 31.818 1.00 1.00 O ATOM 1144 CB ASP A 71 64.123 13.581 30.355 1.00 1.00 C ATOM 1145 CG ASP A 71 64.145 12.264 29.603 1.00 1.00 C ATOM 1146 OD1 ASP A 71 64.029 11.196 30.261 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.268 12.279 28.349 1.00 1.00 O ATOM 0 H ASP A 71 62.228 14.522 29.037 1.00 1.00 H new ATOM 0 HA ASP A 71 62.366 12.971 31.419 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.420 14.388 29.686 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.853 13.552 31.164 1.00 1.00 H new ATOM 1152 N THR A 72 63.443 14.666 33.102 1.00 1.00 N ATOM 1153 CA THR A 72 63.260 15.420 34.314 1.00 1.00 C ATOM 1154 C THR A 72 64.470 15.286 35.184 1.00 1.00 C ATOM 1155 O THR A 72 65.226 14.331 35.011 1.00 1.00 O ATOM 1156 CB THR A 72 62.050 15.087 35.159 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.014 13.738 35.600 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.729 15.340 34.414 1.00 1.00 C ATOM 0 H THR A 72 64.099 13.890 33.192 1.00 1.00 H new ATOM 0 HA THR A 72 63.094 16.435 33.952 1.00 1.00 H new ATOM 0 HB THR A 72 62.149 15.750 36.018 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.108 13.516 35.899 1.00 1.00 H new ATOM 0 HG21 THR A 72 59.891 15.086 35.063 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.665 16.391 34.134 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.693 14.722 33.517 1.00 1.00 H new ATOM 1166 N PRO A 73 64.698 16.162 36.131 1.00 1.00 N ATOM 1167 CA PRO A 73 65.580 15.940 37.249 1.00 1.00 C ATOM 1168 C PRO A 73 65.426 14.639 37.966 1.00 1.00 C ATOM 1169 O PRO A 73 66.439 14.041 38.321 1.00 1.00 O ATOM 1170 CB PRO A 73 65.352 17.132 38.179 1.00 1.00 C ATOM 1171 CG PRO A 73 65.002 18.266 37.208 1.00 1.00 C ATOM 1172 CD PRO A 73 64.193 17.530 36.132 1.00 1.00 C ATOM 0 HA PRO A 73 66.603 15.866 36.879 1.00 1.00 H new ATOM 0 HB2 PRO A 73 64.545 16.943 38.887 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.242 17.363 38.765 1.00 1.00 H new ATOM 0 HG2 PRO A 73 64.419 19.050 37.691 1.00 1.00 H new ATOM 0 HG3 PRO A 73 65.893 18.739 36.796 1.00 1.00 H new ATOM 0 HD2 PRO A 73 63.127 17.554 36.358 1.00 1.00 H new ATOM 0 HD3 PRO A 73 64.323 17.997 35.156 1.00 1.00 H new ATOM 1180 N ALA A 74 64.184 14.174 38.192 1.00 1.00 N ATOM 1181 CA ALA A 74 63.920 12.917 38.829 1.00 1.00 C ATOM 1182 C ALA A 74 64.387 11.722 38.060 1.00 1.00 C ATOM 1183 O ALA A 74 65.001 10.795 38.586 1.00 1.00 O ATOM 1184 CB ALA A 74 62.407 12.766 39.054 1.00 1.00 C ATOM 0 H ALA A 74 63.341 14.683 37.926 1.00 1.00 H new ATOM 0 HA ALA A 74 64.481 12.940 39.763 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.205 11.811 39.538 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.051 13.577 39.689 1.00 1.00 H new ATOM 0 HB3 ALA A 74 61.891 12.803 38.095 1.00 1.00 H new ATOM 1190 N GLN A 75 64.106 11.724 36.746 1.00 1.00 N ATOM 1191 CA GLN A 75 64.391 10.654 35.836 1.00 1.00 C ATOM 1192 C GLN A 75 65.850 10.508 35.544 1.00 1.00 C ATOM 1193 O GLN A 75 66.368 9.398 35.436 1.00 1.00 O ATOM 1194 CB GLN A 75 63.588 10.874 34.541 1.00 1.00 C ATOM 1195 CG GLN A 75 62.148 10.360 34.667 1.00 1.00 C ATOM 1196 CD GLN A 75 61.306 10.735 33.454 1.00 1.00 C ATOM 1197 OE1 GLN A 75 61.008 9.937 32.566 1.00 1.00 O ATOM 1198 NE2 GLN A 75 60.904 12.030 33.398 1.00 1.00 N ATOM 0 H GLN A 75 63.654 12.517 36.291 1.00 1.00 H new ATOM 0 HA GLN A 75 64.090 9.720 36.310 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.574 11.937 34.298 1.00 1.00 H new ATOM 0 HB3 GLN A 75 64.084 10.365 33.715 1.00 1.00 H new ATOM 0 HG2 GLN A 75 62.158 9.276 34.782 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.692 10.772 35.567 1.00 1.00 H new ATOM 0 HE21 GLN A 75 61.161 12.677 34.144 1.00 1.00 H new ATOM 0 HE22 GLN A 75 60.345 12.357 32.610 1.00 1.00 H new ATOM 1207 N LEU A 76 66.580 11.630 35.418 1.00 1.00 N ATOM 1208 CA LEU A 76 67.990 11.603 35.155 1.00 1.00 C ATOM 1209 C LEU A 76 68.818 11.690 36.402 1.00 1.00 C ATOM 1210 O LEU A 76 70.046 11.634 36.361 1.00 1.00 O ATOM 1211 CB LEU A 76 68.299 12.787 34.220 1.00 1.00 C ATOM 1212 CG LEU A 76 69.596 12.653 33.404 1.00 1.00 C ATOM 1213 CD1 LEU A 76 69.422 11.647 32.254 1.00 1.00 C ATOM 1214 CD2 LEU A 76 70.038 14.024 32.869 1.00 1.00 C ATOM 0 H LEU A 76 66.190 12.569 35.499 1.00 1.00 H new ATOM 0 HA LEU A 76 68.249 10.649 34.695 1.00 1.00 H new ATOM 0 HB2 LEU A 76 67.465 12.912 33.529 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.357 13.697 34.818 1.00 1.00 H new ATOM 0 HG LEU A 76 70.376 12.274 34.064 1.00 1.00 H new ATOM 0 HD11 LEU A 76 70.353 11.571 31.693 1.00 1.00 H new ATOM 0 HD12 LEU A 76 69.163 10.670 32.662 1.00 1.00 H new ATOM 0 HD13 LEU A 76 68.626 11.986 31.591 1.00 1.00 H new ATOM 0 HD21 LEU A 76 70.957 13.911 32.294 1.00 1.00 H new ATOM 0 HD22 LEU A 76 69.257 14.434 32.228 1.00 1.00 H new ATOM 0 HD23 LEU A 76 70.214 14.701 33.705 1.00 1.00 H new ATOM 1226 N GLU A 77 68.176 11.820 37.579 1.00 1.00 N ATOM 1227 CA GLU A 77 68.783 11.916 38.877 1.00 1.00 C ATOM 1228 C GLU A 77 69.791 13.016 39.023 1.00 1.00 C ATOM 1229 O GLU A 77 70.906 12.825 39.506 1.00 1.00 O ATOM 1230 CB GLU A 77 69.309 10.562 39.395 1.00 1.00 C ATOM 1231 CG GLU A 77 68.209 9.574 39.811 1.00 1.00 C ATOM 1232 CD GLU A 77 67.572 9.886 41.156 1.00 1.00 C ATOM 1233 OE1 GLU A 77 68.043 10.789 41.896 1.00 1.00 O ATOM 1234 OE2 GLU A 77 66.568 9.212 41.516 1.00 1.00 O ATOM 0 H GLU A 77 67.158 11.861 37.628 1.00 1.00 H new ATOM 0 HA GLU A 77 67.962 12.209 39.531 1.00 1.00 H new ATOM 0 HB2 GLU A 77 69.920 10.102 38.618 1.00 1.00 H new ATOM 0 HB3 GLU A 77 69.962 10.742 40.249 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.433 9.568 39.046 1.00 1.00 H new ATOM 0 HG3 GLU A 77 68.631 8.570 39.845 1.00 1.00 H new ATOM 1241 N MET A 78 69.436 14.239 38.585 1.00 1.00 N ATOM 1242 CA MET A 78 70.254 15.415 38.608 1.00 1.00 C ATOM 1243 C MET A 78 70.651 15.847 39.986 1.00 1.00 C ATOM 1244 O MET A 78 69.899 15.699 40.949 1.00 1.00 O ATOM 1245 CB MET A 78 69.528 16.559 37.874 1.00 1.00 C ATOM 1246 CG MET A 78 69.327 16.293 36.378 1.00 1.00 C ATOM 1247 SD MET A 78 68.366 17.606 35.569 1.00 1.00 S ATOM 1248 CE MET A 78 68.246 16.875 33.912 1.00 1.00 C ATOM 0 H MET A 78 68.514 14.418 38.188 1.00 1.00 H new ATOM 0 HA MET A 78 71.183 15.164 38.097 1.00 1.00 H new ATOM 0 HB2 MET A 78 68.556 16.721 38.340 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.098 17.480 37.998 1.00 1.00 H new ATOM 0 HG2 MET A 78 70.299 16.205 35.893 1.00 1.00 H new ATOM 0 HG3 MET A 78 68.818 15.339 36.246 1.00 1.00 H new ATOM 0 HE1 MET A 78 67.609 17.498 33.285 1.00 1.00 H new ATOM 0 HE2 MET A 78 69.240 16.811 33.469 1.00 1.00 H new ATOM 0 HE3 MET A 78 67.817 15.876 33.985 1.00 1.00 H new ATOM 1258 N GLU A 79 71.882 16.371 40.130 1.00 1.00 N ATOM 1259 CA GLU A 79 72.454 16.726 41.396 1.00 1.00 C ATOM 1260 C GLU A 79 72.205 18.157 41.755 1.00 1.00 C ATOM 1261 O GLU A 79 71.667 18.945 40.981 1.00 1.00 O ATOM 1262 CB GLU A 79 73.970 16.446 41.436 1.00 1.00 C ATOM 1263 CG GLU A 79 74.310 14.951 41.438 1.00 1.00 C ATOM 1264 CD GLU A 79 75.769 14.738 41.803 1.00 1.00 C ATOM 1265 OE1 GLU A 79 76.651 15.029 40.952 1.00 1.00 O ATOM 1266 OE2 GLU A 79 76.052 14.318 42.957 1.00 1.00 O ATOM 0 H GLU A 79 72.501 16.554 39.340 1.00 1.00 H new ATOM 0 HA GLU A 79 71.955 16.096 42.133 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.443 16.918 40.575 1.00 1.00 H new ATOM 0 HB3 GLU A 79 74.395 16.909 42.326 1.00 1.00 H new ATOM 0 HG2 GLU A 79 73.671 14.428 42.149 1.00 1.00 H new ATOM 0 HG3 GLU A 79 74.109 14.525 40.455 1.00 1.00 H new ATOM 1273 N ASP A 80 72.645 18.548 42.966 1.00 1.00 N ATOM 1274 CA ASP A 80 72.672 19.876 43.505 1.00 1.00 C ATOM 1275 C ASP A 80 73.423 20.880 42.686 1.00 1.00 C ATOM 1276 O ASP A 80 73.144 22.076 42.761 1.00 1.00 O ATOM 1277 CB ASP A 80 73.023 19.871 45.005 1.00 1.00 C ATOM 1278 CG ASP A 80 74.348 19.188 45.301 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.439 17.945 45.113 1.00 1.00 O ATOM 1280 OD2 ASP A 80 75.300 19.885 45.740 1.00 1.00 O ATOM 0 H ASP A 80 73.017 17.869 43.630 1.00 1.00 H new ATOM 0 HA ASP A 80 71.650 20.249 43.432 1.00 1.00 H new ATOM 0 HB2 ASP A 80 73.061 20.898 45.367 1.00 1.00 H new ATOM 0 HB3 ASP A 80 72.229 19.367 45.557 1.00 1.00 H new ATOM 1285 N GLU A 81 74.408 20.415 41.898 1.00 1.00 N ATOM 1286 CA GLU A 81 75.046 21.156 40.847 1.00 1.00 C ATOM 1287 C GLU A 81 75.231 20.239 39.676 1.00 1.00 C ATOM 1288 O GLU A 81 76.331 19.752 39.420 1.00 1.00 O ATOM 1289 CB GLU A 81 76.429 21.688 41.277 1.00 1.00 C ATOM 1290 CG GLU A 81 76.412 22.694 42.437 1.00 1.00 C ATOM 1291 CD GLU A 81 77.809 23.062 42.910 1.00 1.00 C ATOM 1292 OE1 GLU A 81 78.553 23.778 42.188 1.00 1.00 O ATOM 1293 OE2 GLU A 81 78.189 22.666 44.043 1.00 1.00 O ATOM 0 H GLU A 81 74.782 19.471 41.997 1.00 1.00 H new ATOM 0 HA GLU A 81 74.418 22.011 40.596 1.00 1.00 H new ATOM 0 HB2 GLU A 81 77.054 20.841 41.561 1.00 1.00 H new ATOM 0 HB3 GLU A 81 76.903 22.159 40.416 1.00 1.00 H new ATOM 0 HG2 GLU A 81 75.889 23.597 42.123 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.849 22.273 43.270 1.00 1.00 H new ATOM 1300 N ASP A 82 74.167 19.922 38.912 1.00 1.00 N ATOM 1301 CA ASP A 82 74.279 19.048 37.778 1.00 1.00 C ATOM 1302 C ASP A 82 74.884 19.700 36.573 1.00 1.00 C ATOM 1303 O ASP A 82 74.853 20.920 36.420 1.00 1.00 O ATOM 1304 CB ASP A 82 72.947 18.385 37.378 1.00 1.00 C ATOM 1305 CG ASP A 82 73.182 16.929 37.023 1.00 1.00 C ATOM 1306 OD1 ASP A 82 73.759 16.178 37.854 1.00 1.00 O ATOM 1307 OD2 ASP A 82 72.828 16.497 35.896 1.00 1.00 O ATOM 0 H ASP A 82 73.224 20.272 39.080 1.00 1.00 H new ATOM 0 HA ASP A 82 74.961 18.272 38.125 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.233 18.458 38.199 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.510 18.910 36.528 1.00 1.00 H new ATOM 1312 N THR A 83 75.450 18.884 35.664 1.00 1.00 N ATOM 1313 CA THR A 83 76.126 19.353 34.484 1.00 1.00 C ATOM 1314 C THR A 83 75.545 18.713 33.264 1.00 1.00 C ATOM 1315 O THR A 83 75.640 17.504 33.056 1.00 1.00 O ATOM 1316 CB THR A 83 77.612 19.100 34.482 1.00 1.00 C ATOM 1317 OG1 THR A 83 78.234 19.726 35.596 1.00 1.00 O ATOM 1318 CG2 THR A 83 78.281 19.717 33.243 1.00 1.00 C ATOM 0 H THR A 83 75.439 17.868 35.749 1.00 1.00 H new ATOM 0 HA THR A 83 75.977 20.433 34.480 1.00 1.00 H new ATOM 0 HB THR A 83 77.733 18.017 34.504 1.00 1.00 H new ATOM 0 HG1 THR A 83 79.197 19.547 35.576 1.00 1.00 H new ATOM 0 HG21 THR A 83 79.352 19.517 33.271 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.853 19.278 32.342 1.00 1.00 H new ATOM 0 HG23 THR A 83 78.113 20.794 33.237 1.00 1.00 H new ATOM 1326 N ILE A 84 74.926 19.531 32.393 1.00 1.00 N ATOM 1327 CA ILE A 84 74.166 19.160 31.233 1.00 1.00 C ATOM 1328 C ILE A 84 74.780 19.806 30.028 1.00 1.00 C ATOM 1329 O ILE A 84 75.291 20.922 30.098 1.00 1.00 O ATOM 1330 CB ILE A 84 72.701 19.473 31.399 1.00 1.00 C ATOM 1331 CG1 ILE A 84 72.082 18.745 32.611 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.907 19.159 30.118 1.00 1.00 C ATOM 1333 CD1 ILE A 84 72.122 17.217 32.558 1.00 1.00 C ATOM 0 H ILE A 84 74.960 20.544 32.511 1.00 1.00 H new ATOM 0 HA ILE A 84 74.206 18.079 31.095 1.00 1.00 H new ATOM 0 HB ILE A 84 72.634 20.544 31.589 1.00 1.00 H new ATOM 0 HG12 ILE A 84 72.601 19.073 33.512 1.00 1.00 H new ATOM 0 HG13 ILE A 84 71.043 19.060 32.709 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.855 19.397 30.275 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.295 19.757 29.293 1.00 1.00 H new ATOM 0 HG23 ILE A 84 72.008 18.101 29.878 1.00 1.00 H new ATOM 0 HD11 ILE A 84 71.661 16.810 33.458 1.00 1.00 H new ATOM 0 HD12 ILE A 84 71.576 16.869 31.681 1.00 1.00 H new ATOM 0 HD13 ILE A 84 73.157 16.882 32.497 1.00 1.00 H new ATOM 1345 N ASP A 85 74.848 19.109 28.879 1.00 1.00 N ATOM 1346 CA ASP A 85 75.682 19.440 27.761 1.00 1.00 C ATOM 1347 C ASP A 85 74.830 19.892 26.616 1.00 1.00 C ATOM 1348 O ASP A 85 73.706 19.423 26.444 1.00 1.00 O ATOM 1349 CB ASP A 85 76.370 18.112 27.387 1.00 1.00 C ATOM 1350 CG ASP A 85 77.305 18.111 26.189 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.162 19.022 26.043 1.00 1.00 O ATOM 1352 OD2 ASP A 85 77.202 17.141 25.393 1.00 1.00 O ATOM 0 H ASP A 85 74.291 18.269 28.720 1.00 1.00 H new ATOM 0 HA ASP A 85 76.391 20.235 27.990 1.00 1.00 H new ATOM 0 HB2 ASP A 85 76.936 17.772 28.254 1.00 1.00 H new ATOM 0 HB3 ASP A 85 75.591 17.371 27.205 1.00 1.00 H new ATOM 1357 N VAL A 86 75.324 20.830 25.787 1.00 1.00 N ATOM 1358 CA VAL A 86 74.563 21.401 24.712 1.00 1.00 C ATOM 1359 C VAL A 86 75.082 20.904 23.403 1.00 1.00 C ATOM 1360 O VAL A 86 76.273 20.967 23.101 1.00 1.00 O ATOM 1361 CB VAL A 86 74.631 22.906 24.648 1.00 1.00 C ATOM 1362 CG1 VAL A 86 73.768 23.475 23.507 1.00 1.00 C ATOM 1363 CG2 VAL A 86 74.104 23.491 25.966 1.00 1.00 C ATOM 0 H VAL A 86 76.271 21.201 25.863 1.00 1.00 H new ATOM 0 HA VAL A 86 73.532 21.102 24.902 1.00 1.00 H new ATOM 0 HB VAL A 86 75.672 23.177 24.473 1.00 1.00 H new ATOM 0 HG11 VAL A 86 73.847 24.562 23.498 1.00 1.00 H new ATOM 0 HG12 VAL A 86 74.117 23.078 22.554 1.00 1.00 H new ATOM 0 HG13 VAL A 86 72.728 23.188 23.660 1.00 1.00 H new ATOM 0 HG21 VAL A 86 74.151 24.579 25.926 1.00 1.00 H new ATOM 0 HG22 VAL A 86 73.071 23.178 26.116 1.00 1.00 H new ATOM 0 HG23 VAL A 86 74.716 23.132 26.794 1.00 1.00 H new ATOM 1373 N PHE A 87 74.156 20.405 22.564 1.00 1.00 N ATOM 1374 CA PHE A 87 74.381 20.202 21.164 1.00 1.00 C ATOM 1375 C PHE A 87 73.435 21.026 20.352 1.00 1.00 C ATOM 1376 O PHE A 87 72.248 21.168 20.646 1.00 1.00 O ATOM 1377 CB PHE A 87 74.194 18.719 20.804 1.00 1.00 C ATOM 1378 CG PHE A 87 75.202 18.251 19.808 1.00 1.00 C ATOM 1379 CD1 PHE A 87 76.425 17.778 20.249 1.00 1.00 C ATOM 1380 CD2 PHE A 87 74.940 18.296 18.451 1.00 1.00 C ATOM 1381 CE1 PHE A 87 77.374 17.336 19.347 1.00 1.00 C ATOM 1382 CE2 PHE A 87 75.888 17.861 17.543 1.00 1.00 C ATOM 1383 CZ PHE A 87 77.103 17.376 17.992 1.00 1.00 C ATOM 0 H PHE A 87 73.221 20.134 22.868 1.00 1.00 H new ATOM 0 HA PHE A 87 75.403 20.506 20.940 1.00 1.00 H new ATOM 0 HB2 PHE A 87 74.271 18.115 21.708 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.192 18.567 20.403 1.00 1.00 H new ATOM 0 HD1 PHE A 87 76.640 17.754 21.307 1.00 1.00 H new ATOM 0 HD2 PHE A 87 73.991 18.672 18.099 1.00 1.00 H new ATOM 0 HE1 PHE A 87 78.324 16.961 19.699 1.00 1.00 H new ATOM 0 HE2 PHE A 87 75.680 17.900 16.484 1.00 1.00 H new ATOM 0 HZ PHE A 87 77.840 17.028 17.284 1.00 1.00 H new ATOM 1393 N GLN A 88 73.958 21.620 19.266 1.00 1.00 N ATOM 1394 CA GLN A 88 73.198 22.510 18.439 1.00 1.00 C ATOM 1395 C GLN A 88 72.435 21.796 17.369 1.00 1.00 C ATOM 1396 O GLN A 88 72.898 20.811 16.793 1.00 1.00 O ATOM 1397 CB GLN A 88 74.048 23.655 17.858 1.00 1.00 C ATOM 1398 CG GLN A 88 74.874 23.360 16.600 1.00 1.00 C ATOM 1399 CD GLN A 88 75.553 24.631 16.108 1.00 1.00 C ATOM 1400 OE1 GLN A 88 76.776 24.771 16.157 1.00 1.00 O ATOM 1401 NE2 GLN A 88 74.732 25.593 15.612 1.00 1.00 N ATOM 0 H GLN A 88 74.920 21.483 18.956 1.00 1.00 H new ATOM 0 HA GLN A 88 72.463 22.966 19.102 1.00 1.00 H new ATOM 0 HB2 GLN A 88 73.381 24.488 17.634 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.731 23.994 18.636 1.00 1.00 H new ATOM 0 HG2 GLN A 88 75.624 22.599 16.818 1.00 1.00 H new ATOM 0 HG3 GLN A 88 74.229 22.957 15.819 1.00 1.00 H new ATOM 0 HE21 GLN A 88 73.724 25.440 15.588 1.00 1.00 H new ATOM 0 HE22 GLN A 88 75.124 26.468 15.264 1.00 1.00 H new ATOM 1410 N GLN A 89 71.209 22.264 17.073 1.00 1.00 N ATOM 1411 CA GLN A 89 70.286 21.558 16.235 1.00 1.00 C ATOM 1412 C GLN A 89 69.653 22.484 15.244 1.00 1.00 C ATOM 1413 O GLN A 89 69.741 23.706 15.357 1.00 1.00 O ATOM 1414 CB GLN A 89 69.238 20.855 17.123 1.00 1.00 C ATOM 1415 CG GLN A 89 69.025 19.370 16.801 1.00 1.00 C ATOM 1416 CD GLN A 89 70.298 18.536 16.891 1.00 1.00 C ATOM 1417 OE1 GLN A 89 70.709 17.954 15.886 1.00 1.00 O ATOM 1418 NE2 GLN A 89 70.946 18.467 18.084 1.00 1.00 N ATOM 0 H GLN A 89 70.850 23.152 17.423 1.00 1.00 H new ATOM 0 HA GLN A 89 70.816 20.799 15.659 1.00 1.00 H new ATOM 0 HB2 GLN A 89 69.543 20.948 18.165 1.00 1.00 H new ATOM 0 HB3 GLN A 89 68.286 21.376 17.022 1.00 1.00 H new ATOM 0 HG2 GLN A 89 68.284 18.961 17.487 1.00 1.00 H new ATOM 0 HG3 GLN A 89 68.613 19.281 15.796 1.00 1.00 H new ATOM 0 HE21 GLN A 89 70.576 18.963 18.895 1.00 1.00 H new ATOM 0 HE22 GLN A 89 71.803 17.920 18.168 1.00 1.00 H new ATOM 1481 N VAL B 966 72.230 32.468 38.564 1.00 1.00 N ATOM 1482 CA VAL B 966 71.451 32.843 37.418 1.00 1.00 C ATOM 1483 C VAL B 966 69.975 32.732 37.646 1.00 1.00 C ATOM 1484 O VAL B 966 69.330 33.626 38.192 1.00 1.00 O ATOM 1485 CB VAL B 966 71.760 31.988 36.220 1.00 1.00 C ATOM 1486 CG1 VAL B 966 71.046 32.471 34.948 1.00 1.00 C ATOM 1487 CG2 VAL B 966 73.209 31.758 35.784 1.00 1.00 C ATOM 0 HA VAL B 966 71.724 33.883 37.241 1.00 1.00 H new ATOM 0 HB VAL B 966 71.403 31.042 36.628 1.00 1.00 H new ATOM 0 HG11 VAL B 966 71.305 31.818 34.115 1.00 1.00 H new ATOM 0 HG12 VAL B 966 69.968 32.448 35.105 1.00 1.00 H new ATOM 0 HG13 VAL B 966 71.358 33.490 34.720 1.00 1.00 H new ATOM 0 HG21 VAL B 966 73.226 31.116 34.903 1.00 1.00 H new ATOM 0 HG22 VAL B 966 73.673 32.715 35.545 1.00 1.00 H new ATOM 0 HG23 VAL B 966 73.761 31.279 36.593 1.00 1.00 H new ATOM 1497 N ILE B 967 69.365 31.636 37.154 1.00 1.00 N ATOM 1498 CA ILE B 967 67.956 31.551 36.898 1.00 1.00 C ATOM 1499 C ILE B 967 67.292 30.947 38.094 1.00 1.00 C ATOM 1500 O ILE B 967 67.643 29.857 38.542 1.00 1.00 O ATOM 1501 CB ILE B 967 67.706 30.821 35.598 1.00 1.00 C ATOM 1502 CG1 ILE B 967 67.590 31.798 34.410 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.473 29.900 35.651 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.039 31.253 33.049 1.00 1.00 C ATOM 0 H ILE B 967 69.869 30.779 36.926 1.00 1.00 H new ATOM 0 HA ILE B 967 67.512 32.536 36.757 1.00 1.00 H new ATOM 0 HB ILE B 967 68.578 30.185 35.446 1.00 1.00 H new ATOM 0 HG12 ILE B 967 66.551 32.117 34.327 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.179 32.687 34.636 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.347 29.405 34.688 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.612 29.150 36.429 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.585 30.493 35.873 1.00 1.00 H new ATOM 0 HD11 ILE B 967 67.914 32.024 32.289 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.088 30.962 33.102 1.00 1.00 H new ATOM 0 HD13 ILE B 967 67.435 30.384 32.788 1.00 1.00 H new ATOM 1516 N ASP B 968 66.299 31.633 38.686 1.00 1.00 N ATOM 1517 CA ASP B 968 65.496 31.084 39.739 1.00 1.00 C ATOM 1518 C ASP B 968 64.192 30.677 39.129 1.00 1.00 C ATOM 1519 O ASP B 968 63.396 31.543 38.764 1.00 1.00 O ATOM 1520 CB ASP B 968 65.231 32.145 40.826 1.00 1.00 C ATOM 1521 CG ASP B 968 66.520 32.681 41.424 1.00 1.00 C ATOM 1522 OD1 ASP B 968 67.128 31.992 42.287 1.00 1.00 O ATOM 1523 OD2 ASP B 968 66.925 33.823 41.082 1.00 1.00 O ATOM 0 H ASP B 968 66.047 32.588 38.430 1.00 1.00 H new ATOM 0 HA ASP B 968 66.007 30.239 40.201 1.00 1.00 H new ATOM 0 HB2 ASP B 968 64.660 32.969 40.397 1.00 1.00 H new ATOM 0 HB3 ASP B 968 64.618 31.710 41.616 1.00 1.00 H new ATOM 1528 N LEU B 969 63.906 29.373 38.947 1.00 1.00 N ATOM 1529 CA LEU B 969 62.732 28.981 38.216 1.00 1.00 C ATOM 1530 C LEU B 969 61.664 28.408 39.096 1.00 1.00 C ATOM 1531 O LEU B 969 61.906 27.895 40.187 1.00 1.00 O ATOM 1532 CB LEU B 969 63.063 28.127 36.974 1.00 1.00 C ATOM 1533 CG LEU B 969 63.939 26.890 37.233 1.00 1.00 C ATOM 1534 CD1 LEU B 969 63.179 25.778 37.972 1.00 1.00 C ATOM 1535 CD2 LEU B 969 64.619 26.316 35.981 1.00 1.00 C ATOM 0 H LEU B 969 64.474 28.601 39.297 1.00 1.00 H new ATOM 0 HA LEU B 969 62.294 29.895 37.815 1.00 1.00 H new ATOM 0 HB2 LEU B 969 62.127 27.799 36.521 1.00 1.00 H new ATOM 0 HB3 LEU B 969 63.566 28.760 36.243 1.00 1.00 H new ATOM 0 HG LEU B 969 64.735 27.265 37.876 1.00 1.00 H new ATOM 0 HD11 LEU B 969 63.842 24.927 38.130 1.00 1.00 H new ATOM 0 HD12 LEU B 969 62.833 26.152 38.935 1.00 1.00 H new ATOM 0 HD13 LEU B 969 62.322 25.464 37.375 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.216 25.447 36.257 1.00 1.00 H new ATOM 0 HD22 LEU B 969 63.859 26.020 35.258 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.265 27.074 35.538 1.00 1.00 H new