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 19 ASN : amide:sc= 0.542 K(o=0.4,f=-0.95) USER MOD Set 1.2: A 31 GLN : amide:sc= -0.147 K(o=0.4,f=-0.95) USER MOD Single : A 17 HIS : no HD1:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0468) 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 -170:sc= 0 (180deg=-0.105) 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= 0.305 USER MOD Single : A 51 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.16) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 147:sc= -0.0518 (180deg=-0.58) USER MOD Single : A 57 GLN : amide:sc= -0.366 X(o=-0.37,f=0) USER MOD Single : A 65 GLN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 70 THR OG1 : rot -93:sc= 0.169 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.31 USER MOD Single : A 75 GLN : amide:sc= -0.175 K(o=-0.18,f=-2.1!) USER MOD Single : A 78 MET CE :methyl 162:sc= -0.125 (180deg=-0.911) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.045) USER MOD Single : A 89 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 64.750 21.821 46.217 1.00 1.00 N ATOM 245 CA HIS A 17 65.570 22.631 45.362 1.00 1.00 C ATOM 246 C HIS A 17 67.021 22.255 45.353 1.00 1.00 C ATOM 247 O HIS A 17 67.645 22.027 46.389 1.00 1.00 O ATOM 248 CB HIS A 17 65.396 24.145 45.596 1.00 1.00 C ATOM 249 CG HIS A 17 65.553 24.607 47.015 1.00 1.00 C ATOM 250 ND1 HIS A 17 65.105 25.840 47.407 1.00 1.00 N ATOM 251 CD2 HIS A 17 65.978 23.968 48.136 1.00 1.00 C ATOM 252 CE1 HIS A 17 65.222 25.944 48.718 1.00 1.00 C ATOM 253 NE2 HIS A 17 65.744 24.822 49.181 1.00 1.00 N ATOM 0 HA HIS A 17 65.189 22.407 44.366 1.00 1.00 H new ATOM 0 HB2 HIS A 17 66.121 24.675 44.979 1.00 1.00 H new ATOM 0 HB3 HIS A 17 64.406 24.437 45.246 1.00 1.00 H new ATOM 0 HD2 HIS A 17 66.414 22.982 48.192 1.00 1.00 H new ATOM 0 HE1 HIS A 17 64.939 26.801 49.311 1.00 1.00 H new ATOM 0 HE2 HIS A 17 65.942 24.623 50.162 1.00 1.00 H new ATOM 262 N ILE A 18 67.576 22.164 44.132 1.00 1.00 N ATOM 263 CA ILE A 18 68.881 21.757 43.702 1.00 1.00 C ATOM 264 C ILE A 18 69.235 22.647 42.549 1.00 1.00 C ATOM 265 O ILE A 18 68.372 23.324 41.996 1.00 1.00 O ATOM 266 CB ILE A 18 68.929 20.308 43.290 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.816 19.892 42.311 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.910 19.441 44.562 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.022 18.477 41.768 1.00 1.00 C ATOM 0 H ILE A 18 67.014 22.418 43.320 1.00 1.00 H new ATOM 0 HA ILE A 18 69.592 21.849 44.523 1.00 1.00 H new ATOM 0 HB ILE A 18 69.852 20.154 42.732 1.00 1.00 H new ATOM 0 HG12 ILE A 18 66.851 19.949 42.815 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.783 20.597 41.480 1.00 1.00 H new ATOM 0 HG21 ILE A 18 68.944 18.387 44.285 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.775 19.682 45.180 1.00 1.00 H new ATOM 0 HG23 ILE A 18 67.997 19.639 45.124 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.212 18.229 41.082 1.00 1.00 H new ATOM 0 HD12 ILE A 18 68.974 18.425 41.239 1.00 1.00 H new ATOM 0 HD13 ILE A 18 68.027 17.767 42.595 1.00 1.00 H new ATOM 281 N ASN A 19 70.509 22.807 42.147 1.00 1.00 N ATOM 282 CA ASN A 19 70.882 23.643 41.040 1.00 1.00 C ATOM 283 C ASN A 19 71.437 22.807 39.927 1.00 1.00 C ATOM 284 O ASN A 19 72.027 21.750 40.146 1.00 1.00 O ATOM 285 CB ASN A 19 71.876 24.766 41.394 1.00 1.00 C ATOM 286 CG ASN A 19 71.347 25.763 42.418 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.919 26.860 42.062 1.00 1.00 O ATOM 288 ND2 ASN A 19 71.415 25.427 43.732 1.00 1.00 N ATOM 0 H ASN A 19 71.299 22.347 42.599 1.00 1.00 H new ATOM 0 HA ASN A 19 69.965 24.142 40.727 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.792 24.318 41.778 1.00 1.00 H new ATOM 0 HB3 ASN A 19 72.141 25.303 40.483 1.00 1.00 H new ATOM 0 HD21 ASN A 19 71.108 26.089 44.444 1.00 1.00 H new ATOM 0 HD22 ASN A 19 71.773 24.512 44.007 1.00 1.00 H new ATOM 295 N LEU A 20 71.195 23.168 38.654 1.00 1.00 N ATOM 296 CA LEU A 20 71.838 22.534 37.538 1.00 1.00 C ATOM 297 C LEU A 20 72.398 23.613 36.662 1.00 1.00 C ATOM 298 O LEU A 20 71.833 24.703 36.589 1.00 1.00 O ATOM 299 CB LEU A 20 70.900 21.587 36.761 1.00 1.00 C ATOM 300 CG LEU A 20 70.116 22.113 35.544 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.437 20.929 34.837 1.00 1.00 C ATOM 302 CD2 LEU A 20 69.049 23.168 35.877 1.00 1.00 C ATOM 0 H LEU A 20 70.545 23.909 38.392 1.00 1.00 H new ATOM 0 HA LEU A 20 72.639 21.891 37.903 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.500 20.743 36.421 1.00 1.00 H new ATOM 0 HB3 LEU A 20 70.172 21.195 37.472 1.00 1.00 H new ATOM 0 HG LEU A 20 70.847 22.609 34.906 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.879 21.292 33.974 1.00 1.00 H new ATOM 0 HD12 LEU A 20 70.195 20.219 34.507 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.754 20.435 35.529 1.00 1.00 H new ATOM 0 HD21 LEU A 20 68.548 23.481 34.961 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.317 22.742 36.563 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.524 24.031 36.343 1.00 1.00 H new ATOM 314 N LYS A 21 73.520 23.400 35.951 1.00 1.00 N ATOM 315 CA LYS A 21 74.029 24.271 34.931 1.00 1.00 C ATOM 316 C LYS A 21 74.010 23.616 33.587 1.00 1.00 C ATOM 317 O LYS A 21 74.105 22.397 33.454 1.00 1.00 O ATOM 318 CB LYS A 21 75.444 24.789 35.258 1.00 1.00 C ATOM 319 CG LYS A 21 76.593 23.836 34.910 1.00 1.00 C ATOM 320 CD LYS A 21 77.916 24.229 35.572 1.00 1.00 C ATOM 321 CE LYS A 21 78.030 23.693 37.001 1.00 1.00 C ATOM 322 NZ LYS A 21 79.286 24.157 37.629 1.00 1.00 N ATOM 0 H LYS A 21 74.105 22.577 36.094 1.00 1.00 H new ATOM 0 HA LYS A 21 73.361 25.132 34.902 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.600 25.728 34.726 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.492 25.014 36.323 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.325 22.825 35.217 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.726 23.816 33.828 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.745 23.848 34.976 1.00 1.00 H new ATOM 0 HD3 LYS A 21 78.005 25.315 35.585 1.00 1.00 H new ATOM 0 HE2 LYS A 21 77.176 24.028 37.590 1.00 1.00 H new ATOM 0 HE3 LYS A 21 78.003 22.603 36.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 79.348 23.785 38.598 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 80.098 23.817 37.075 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 79.297 25.197 37.656 1.00 1.00 H new ATOM 336 N VAL A 22 73.864 24.421 32.520 1.00 1.00 N ATOM 337 CA VAL A 22 73.922 23.953 31.166 1.00 1.00 C ATOM 338 C VAL A 22 75.047 24.645 30.464 1.00 1.00 C ATOM 339 O VAL A 22 75.204 25.859 30.583 1.00 1.00 O ATOM 340 CB VAL A 22 72.601 24.094 30.455 1.00 1.00 C ATOM 341 CG1 VAL A 22 72.272 25.547 30.070 1.00 1.00 C ATOM 342 CG2 VAL A 22 72.596 23.208 29.200 1.00 1.00 C ATOM 0 H VAL A 22 73.701 25.425 32.598 1.00 1.00 H new ATOM 0 HA VAL A 22 74.122 22.882 31.162 1.00 1.00 H new ATOM 0 HB VAL A 22 71.828 23.773 31.153 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.308 25.579 29.562 1.00 1.00 H new ATOM 0 HG12 VAL A 22 72.228 26.161 30.970 1.00 1.00 H new ATOM 0 HG13 VAL A 22 73.046 25.931 29.406 1.00 1.00 H new ATOM 0 HG21 VAL A 22 71.640 23.310 28.686 1.00 1.00 H new ATOM 0 HG22 VAL A 22 73.401 23.517 28.533 1.00 1.00 H new ATOM 0 HG23 VAL A 22 72.743 22.167 29.489 1.00 1.00 H new ATOM 352 N ALA A 23 75.908 23.891 29.755 1.00 1.00 N ATOM 353 CA ALA A 23 77.076 24.425 29.115 1.00 1.00 C ATOM 354 C ALA A 23 77.134 24.098 27.655 1.00 1.00 C ATOM 355 O ALA A 23 76.985 22.955 27.221 1.00 1.00 O ATOM 356 CB ALA A 23 78.338 23.887 29.811 1.00 1.00 C ATOM 0 H ALA A 23 75.791 22.886 29.622 1.00 1.00 H new ATOM 0 HA ALA A 23 77.024 25.510 29.203 1.00 1.00 H new ATOM 0 HB1 ALA A 23 79.224 24.294 29.323 1.00 1.00 H new ATOM 0 HB2 ALA A 23 78.331 24.186 30.859 1.00 1.00 H new ATOM 0 HB3 ALA A 23 78.354 22.799 29.744 1.00 1.00 H new ATOM 362 N GLY A 24 77.373 25.131 26.826 1.00 1.00 N ATOM 363 CA GLY A 24 77.419 25.041 25.395 1.00 1.00 C ATOM 364 C GLY A 24 78.744 24.675 24.815 1.00 1.00 C ATOM 365 O GLY A 24 79.736 24.427 25.499 1.00 1.00 O ATOM 0 H GLY A 24 77.543 26.076 27.169 1.00 1.00 H new ATOM 0 HA2 GLY A 24 76.684 24.304 25.071 1.00 1.00 H new ATOM 0 HA3 GLY A 24 77.112 26.000 24.978 1.00 1.00 H new ATOM 416 N VAL A 29 77.912 29.226 29.769 1.00 1.00 N ATOM 417 CA VAL A 29 77.231 28.474 30.786 1.00 1.00 C ATOM 418 C VAL A 29 76.221 29.304 31.517 1.00 1.00 C ATOM 419 O VAL A 29 76.450 30.470 31.834 1.00 1.00 O ATOM 420 CB VAL A 29 78.228 27.832 31.717 1.00 1.00 C ATOM 421 CG1 VAL A 29 79.138 28.872 32.397 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.559 26.932 32.773 1.00 1.00 C ATOM 0 HA VAL A 29 76.668 27.677 30.300 1.00 1.00 H new ATOM 0 HB VAL A 29 78.850 27.195 31.089 1.00 1.00 H new ATOM 0 HG11 VAL A 29 79.840 28.364 33.058 1.00 1.00 H new ATOM 0 HG12 VAL A 29 79.690 29.424 31.637 1.00 1.00 H new ATOM 0 HG13 VAL A 29 78.529 29.564 32.978 1.00 1.00 H new ATOM 0 HG21 VAL A 29 78.323 26.496 33.416 1.00 1.00 H new ATOM 0 HG22 VAL A 29 76.873 27.527 33.376 1.00 1.00 H new ATOM 0 HG23 VAL A 29 77.006 26.136 32.275 1.00 1.00 H new ATOM 432 N VAL A 30 75.010 28.768 31.770 1.00 1.00 N ATOM 433 CA VAL A 30 74.047 29.343 32.669 1.00 1.00 C ATOM 434 C VAL A 30 73.555 28.321 33.648 1.00 1.00 C ATOM 435 O VAL A 30 73.345 27.164 33.285 1.00 1.00 O ATOM 436 CB VAL A 30 72.958 30.122 31.975 1.00 1.00 C ATOM 437 CG1 VAL A 30 71.728 29.282 31.603 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.438 31.263 32.865 1.00 1.00 C ATOM 0 H VAL A 30 74.688 27.904 31.334 1.00 1.00 H new ATOM 0 HA VAL A 30 74.561 30.107 33.253 1.00 1.00 H new ATOM 0 HB VAL A 30 73.434 30.489 31.066 1.00 1.00 H new ATOM 0 HG11 VAL A 30 70.991 29.915 31.108 1.00 1.00 H new ATOM 0 HG12 VAL A 30 72.026 28.478 30.930 1.00 1.00 H new ATOM 0 HG13 VAL A 30 71.292 28.856 32.506 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.654 31.807 32.338 1.00 1.00 H new ATOM 0 HG22 VAL A 30 72.034 30.849 33.789 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.257 31.943 33.100 1.00 1.00 H new ATOM 448 N GLN A 31 73.385 28.668 34.939 1.00 1.00 N ATOM 449 CA GLN A 31 72.843 27.787 35.936 1.00 1.00 C ATOM 450 C GLN A 31 71.516 28.217 36.476 1.00 1.00 C ATOM 451 O GLN A 31 71.181 29.386 36.661 1.00 1.00 O ATOM 452 CB GLN A 31 73.832 27.534 37.089 1.00 1.00 C ATOM 453 CG GLN A 31 73.804 28.484 38.294 1.00 1.00 C ATOM 454 CD GLN A 31 73.046 27.937 39.501 1.00 1.00 C ATOM 455 OE1 GLN A 31 73.664 27.341 40.383 1.00 1.00 O ATOM 456 NE2 GLN A 31 71.706 28.141 39.580 1.00 1.00 N ATOM 0 H GLN A 31 73.631 29.589 35.302 1.00 1.00 H new ATOM 0 HA GLN A 31 72.674 26.849 35.407 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.660 26.523 37.459 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.839 27.554 36.673 1.00 1.00 H new ATOM 0 HG2 GLN A 31 74.829 28.706 38.592 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.349 29.427 37.989 1.00 1.00 H new ATOM 0 HE21 GLN A 31 71.221 28.639 38.833 1.00 1.00 H new ATOM 0 HE22 GLN A 31 71.184 27.797 40.386 1.00 1.00 H new ATOM 465 N PHE A 32 70.679 27.222 36.809 1.00 1.00 N ATOM 466 CA PHE A 32 69.308 27.419 37.165 1.00 1.00 C ATOM 467 C PHE A 32 69.054 26.655 38.427 1.00 1.00 C ATOM 468 O PHE A 32 69.550 25.545 38.612 1.00 1.00 O ATOM 469 CB PHE A 32 68.380 26.889 36.052 1.00 1.00 C ATOM 470 CG PHE A 32 68.867 26.995 34.643 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.834 26.128 34.165 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.253 27.844 33.740 1.00 1.00 C ATOM 473 CE1 PHE A 32 70.196 26.116 32.832 1.00 1.00 C ATOM 474 CE2 PHE A 32 68.607 27.848 32.405 1.00 1.00 C ATOM 475 CZ PHE A 32 69.567 26.968 31.944 1.00 1.00 C ATOM 0 H PHE A 32 70.966 26.243 36.832 1.00 1.00 H new ATOM 0 HA PHE A 32 69.107 28.482 37.301 1.00 1.00 H new ATOM 0 HB2 PHE A 32 68.172 25.839 36.258 1.00 1.00 H new ATOM 0 HB3 PHE A 32 67.432 27.422 36.122 1.00 1.00 H new ATOM 0 HD1 PHE A 32 70.316 25.446 34.849 1.00 1.00 H new ATOM 0 HD2 PHE A 32 67.482 28.517 34.085 1.00 1.00 H new ATOM 0 HE1 PHE A 32 70.967 25.444 32.485 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.134 28.538 31.722 1.00 1.00 H new ATOM 0 HZ PHE A 32 69.825 26.946 30.895 1.00 1.00 H new ATOM 485 N LYS A 33 68.265 27.221 39.358 1.00 1.00 N ATOM 486 CA LYS A 33 67.885 26.614 40.600 1.00 1.00 C ATOM 487 C LYS A 33 66.503 26.058 40.481 1.00 1.00 C ATOM 488 O LYS A 33 65.528 26.778 40.264 1.00 1.00 O ATOM 489 CB LYS A 33 67.895 27.645 41.742 1.00 1.00 C ATOM 490 CG LYS A 33 67.680 27.030 43.129 1.00 1.00 C ATOM 491 CD LYS A 33 67.898 28.041 44.258 1.00 1.00 C ATOM 492 CE LYS A 33 67.040 29.301 44.121 1.00 1.00 C ATOM 493 NZ LYS A 33 67.271 30.194 45.277 1.00 1.00 N ATOM 0 H LYS A 33 67.870 28.154 39.239 1.00 1.00 H new ATOM 0 HA LYS A 33 68.601 25.823 40.823 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.848 28.175 41.733 1.00 1.00 H new ATOM 0 HB3 LYS A 33 67.117 28.385 41.558 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.668 26.631 43.193 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.362 26.190 43.261 1.00 1.00 H new ATOM 0 HD2 LYS A 33 67.677 27.562 45.212 1.00 1.00 H new ATOM 0 HD3 LYS A 33 68.949 28.327 44.281 1.00 1.00 H new ATOM 0 HE2 LYS A 33 67.286 29.820 43.194 1.00 1.00 H new ATOM 0 HE3 LYS A 33 65.986 29.030 44.065 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 66.686 31.048 45.178 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 67.015 29.699 46.155 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 68.275 30.464 45.312 1.00 1.00 H new ATOM 507 N ILE A 34 66.418 24.724 40.613 1.00 1.00 N ATOM 508 CA ILE A 34 65.436 23.841 40.060 1.00 1.00 C ATOM 509 C ILE A 34 65.099 22.772 41.040 1.00 1.00 C ATOM 510 O ILE A 34 65.797 22.466 42.003 1.00 1.00 O ATOM 511 CB ILE A 34 65.831 23.239 38.739 1.00 1.00 C ATOM 512 CG1 ILE A 34 64.884 22.227 38.065 1.00 1.00 C ATOM 513 CG2 ILE A 34 67.265 22.694 38.865 1.00 1.00 C ATOM 514 CD1 ILE A 34 65.138 22.043 36.567 1.00 1.00 C ATOM 0 H ILE A 34 67.108 24.212 41.163 1.00 1.00 H new ATOM 0 HA ILE A 34 64.556 24.452 39.857 1.00 1.00 H new ATOM 0 HB ILE A 34 65.757 24.065 38.032 1.00 1.00 H new ATOM 0 HG12 ILE A 34 64.986 21.262 38.562 1.00 1.00 H new ATOM 0 HG13 ILE A 34 63.855 22.554 38.212 1.00 1.00 H new ATOM 0 HG21 ILE A 34 67.571 22.253 37.917 1.00 1.00 H new ATOM 0 HG22 ILE A 34 67.943 23.508 39.122 1.00 1.00 H new ATOM 0 HG23 ILE A 34 67.298 21.935 39.646 1.00 1.00 H new ATOM 0 HD11 ILE A 34 64.432 21.316 36.165 1.00 1.00 H new ATOM 0 HD12 ILE A 34 65.007 22.997 36.056 1.00 1.00 H new ATOM 0 HD13 ILE A 34 66.156 21.685 36.412 1.00 1.00 H new ATOM 526 N LYS A 35 63.877 22.258 40.853 1.00 1.00 N ATOM 527 CA LYS A 35 63.334 21.255 41.722 1.00 1.00 C ATOM 528 C LYS A 35 63.103 19.956 41.020 1.00 1.00 C ATOM 529 O LYS A 35 63.151 19.829 39.798 1.00 1.00 O ATOM 530 CB LYS A 35 62.105 21.713 42.527 1.00 1.00 C ATOM 531 CG LYS A 35 62.248 23.119 43.122 1.00 1.00 C ATOM 532 CD LYS A 35 61.710 24.231 42.216 1.00 1.00 C ATOM 533 CE LYS A 35 60.196 24.127 42.028 1.00 1.00 C ATOM 534 NZ LYS A 35 59.469 24.488 43.264 1.00 1.00 N ATOM 0 H LYS A 35 63.255 22.536 40.094 1.00 1.00 H new ATOM 0 HA LYS A 35 64.110 21.082 42.468 1.00 1.00 H new ATOM 0 HB2 LYS A 35 61.228 21.689 41.880 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.925 21.003 43.334 1.00 1.00 H new ATOM 0 HG2 LYS A 35 61.723 23.155 44.076 1.00 1.00 H new ATOM 0 HG3 LYS A 35 63.301 23.310 43.330 1.00 1.00 H new ATOM 0 HD2 LYS A 35 61.957 25.202 42.646 1.00 1.00 H new ATOM 0 HD3 LYS A 35 62.201 24.178 41.245 1.00 1.00 H new ATOM 0 HE2 LYS A 35 59.883 24.784 41.216 1.00 1.00 H new ATOM 0 HE3 LYS A 35 59.934 23.110 41.735 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 58.449 24.538 43.065 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 59.644 23.767 43.993 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 59.801 25.413 43.605 1.00 1.00 H new ATOM 548 N ARG A 36 62.915 18.899 41.827 1.00 1.00 N ATOM 549 CA ARG A 36 62.967 17.528 41.403 1.00 1.00 C ATOM 550 C ARG A 36 61.866 17.107 40.479 1.00 1.00 C ATOM 551 O ARG A 36 62.087 16.364 39.524 1.00 1.00 O ATOM 552 CB ARG A 36 63.079 16.577 42.611 1.00 1.00 C ATOM 553 CG ARG A 36 64.451 16.668 43.291 1.00 1.00 C ATOM 554 CD ARG A 36 64.620 15.748 44.504 1.00 1.00 C ATOM 555 NE ARG A 36 66.042 15.885 44.936 1.00 1.00 N ATOM 556 CZ ARG A 36 66.481 16.433 46.097 1.00 1.00 C ATOM 557 NH1 ARG A 36 65.660 16.855 47.090 1.00 1.00 N ATOM 558 NH2 ARG A 36 67.818 16.567 46.272 1.00 1.00 N ATOM 0 H ARG A 36 62.717 19.000 42.822 1.00 1.00 H new ATOM 0 HA ARG A 36 63.874 17.454 40.803 1.00 1.00 H new ATOM 0 HB2 ARG A 36 62.300 16.817 43.334 1.00 1.00 H new ATOM 0 HB3 ARG A 36 62.905 15.552 42.283 1.00 1.00 H new ATOM 0 HG2 ARG A 36 65.222 16.428 42.559 1.00 1.00 H new ATOM 0 HG3 ARG A 36 64.619 17.698 43.606 1.00 1.00 H new ATOM 0 HD2 ARG A 36 63.940 16.033 45.307 1.00 1.00 H new ATOM 0 HD3 ARG A 36 64.390 14.715 44.244 1.00 1.00 H new ATOM 0 HE ARG A 36 66.753 15.532 44.296 1.00 1.00 H new ATOM 0 HH11 ARG A 36 64.649 16.768 46.987 1.00 1.00 H new ATOM 0 HH12 ARG A 36 66.053 17.259 47.940 1.00 1.00 H new ATOM 0 HH21 ARG A 36 68.461 16.260 45.542 1.00 1.00 H new ATOM 0 HH22 ARG A 36 68.181 16.975 47.133 1.00 1.00 H new ATOM 572 N HIS A 37 60.634 17.597 40.698 1.00 1.00 N ATOM 573 CA HIS A 37 59.502 17.381 39.844 1.00 1.00 C ATOM 574 C HIS A 37 59.269 18.533 38.916 1.00 1.00 C ATOM 575 O HIS A 37 58.138 18.806 38.520 1.00 1.00 O ATOM 576 CB HIS A 37 58.234 17.155 40.690 1.00 1.00 C ATOM 577 CG HIS A 37 58.265 15.884 41.487 1.00 1.00 C ATOM 578 ND1 HIS A 37 57.329 15.592 42.443 1.00 1.00 N ATOM 579 CD2 HIS A 37 59.093 14.809 41.410 1.00 1.00 C ATOM 580 CE1 HIS A 37 57.579 14.393 42.942 1.00 1.00 C ATOM 581 NE2 HIS A 37 58.640 13.899 42.329 1.00 1.00 N ATOM 0 H HIS A 37 60.413 18.173 41.510 1.00 1.00 H new ATOM 0 HA HIS A 37 59.718 16.497 39.244 1.00 1.00 H new ATOM 0 HB2 HIS A 37 58.105 17.998 41.369 1.00 1.00 H new ATOM 0 HB3 HIS A 37 57.365 17.141 40.032 1.00 1.00 H new ATOM 0 HD2 HIS A 37 59.942 14.694 40.753 1.00 1.00 H new ATOM 0 HE1 HIS A 37 57.012 13.901 43.719 1.00 1.00 H new ATOM 0 HE2 HIS A 37 59.056 12.986 42.511 1.00 1.00 H new ATOM 590 N THR A 38 60.331 19.246 38.499 1.00 1.00 N ATOM 591 CA THR A 38 60.249 20.331 37.562 1.00 1.00 C ATOM 592 C THR A 38 60.987 19.918 36.325 1.00 1.00 C ATOM 593 O THR A 38 62.203 19.763 36.418 1.00 1.00 O ATOM 594 CB THR A 38 60.878 21.597 38.085 1.00 1.00 C ATOM 595 OG1 THR A 38 60.252 22.022 39.287 1.00 1.00 O ATOM 596 CG2 THR A 38 60.741 22.765 37.097 1.00 1.00 C ATOM 0 H THR A 38 61.281 19.063 38.823 1.00 1.00 H new ATOM 0 HA THR A 38 59.196 20.539 37.373 1.00 1.00 H new ATOM 0 HB THR A 38 61.928 21.353 38.245 1.00 1.00 H new ATOM 0 HG1 THR A 38 60.680 22.844 39.606 1.00 1.00 H new ATOM 0 HG21 THR A 38 61.209 23.655 37.518 1.00 1.00 H new ATOM 0 HG22 THR A 38 61.231 22.507 36.158 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.685 22.963 36.912 1.00 1.00 H new ATOM 604 N PRO A 39 60.412 19.679 35.174 1.00 1.00 N ATOM 605 CA PRO A 39 61.097 19.131 34.029 1.00 1.00 C ATOM 606 C PRO A 39 62.218 19.950 33.468 1.00 1.00 C ATOM 607 O PRO A 39 62.292 21.160 33.673 1.00 1.00 O ATOM 608 CB PRO A 39 59.996 18.928 32.986 1.00 1.00 C ATOM 609 CG PRO A 39 58.926 19.962 33.359 1.00 1.00 C ATOM 610 CD PRO A 39 59.011 19.966 34.890 1.00 1.00 C ATOM 0 HA PRO A 39 61.610 18.218 34.331 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.371 19.090 31.975 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.598 17.914 33.020 1.00 1.00 H new ATOM 0 HG2 PRO A 39 59.141 20.943 32.935 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.937 19.672 33.006 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.711 20.929 35.302 1.00 1.00 H new ATOM 0 HD3 PRO A 39 58.354 19.214 35.327 1.00 1.00 H new ATOM 618 N LEU A 40 63.118 19.314 32.696 1.00 1.00 N ATOM 619 CA LEU A 40 64.253 19.947 32.088 1.00 1.00 C ATOM 620 C LEU A 40 63.902 20.995 31.079 1.00 1.00 C ATOM 621 O LEU A 40 64.624 21.962 30.840 1.00 1.00 O ATOM 622 CB LEU A 40 65.392 18.992 31.695 1.00 1.00 C ATOM 623 CG LEU A 40 65.180 18.148 30.432 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.828 18.783 29.191 1.00 1.00 C ATOM 625 CD2 LEU A 40 65.775 16.756 30.698 1.00 1.00 C ATOM 0 H LEU A 40 63.054 18.318 32.485 1.00 1.00 H new ATOM 0 HA LEU A 40 64.707 20.524 32.894 1.00 1.00 H new ATOM 0 HB2 LEU A 40 66.299 19.581 31.562 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.572 18.315 32.530 1.00 1.00 H new ATOM 0 HG LEU A 40 64.113 18.083 30.219 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.650 18.148 28.323 1.00 1.00 H new ATOM 0 HD12 LEU A 40 65.393 19.767 29.016 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.901 18.885 29.353 1.00 1.00 H new ATOM 0 HD21 LEU A 40 65.641 16.128 29.817 1.00 1.00 H new ATOM 0 HD22 LEU A 40 66.838 16.851 30.917 1.00 1.00 H new ATOM 0 HD23 LEU A 40 65.268 16.300 31.549 1.00 1.00 H new ATOM 637 N SER A 41 62.707 20.866 30.478 1.00 1.00 N ATOM 638 CA SER A 41 62.084 21.859 29.649 1.00 1.00 C ATOM 639 C SER A 41 61.987 23.212 30.290 1.00 1.00 C ATOM 640 O SER A 41 61.998 24.234 29.606 1.00 1.00 O ATOM 641 CB SER A 41 60.666 21.395 29.265 1.00 1.00 C ATOM 642 OG SER A 41 60.157 22.077 28.127 1.00 1.00 O ATOM 0 H SER A 41 62.141 20.023 30.574 1.00 1.00 H new ATOM 0 HA SER A 41 62.723 21.965 28.773 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.680 20.323 29.066 1.00 1.00 H new ATOM 0 HB3 SER A 41 59.995 21.553 30.109 1.00 1.00 H new ATOM 0 HG SER A 41 59.257 21.747 27.923 1.00 1.00 H new ATOM 648 N LYS A 42 61.890 23.297 31.632 1.00 1.00 N ATOM 649 CA LYS A 42 61.805 24.537 32.347 1.00 1.00 C ATOM 650 C LYS A 42 63.059 25.348 32.256 1.00 1.00 C ATOM 651 O LYS A 42 63.027 26.549 31.995 1.00 1.00 O ATOM 652 CB LYS A 42 61.481 24.226 33.821 1.00 1.00 C ATOM 653 CG LYS A 42 61.144 25.447 34.681 1.00 1.00 C ATOM 654 CD LYS A 42 59.792 26.074 34.330 1.00 1.00 C ATOM 655 CE LYS A 42 59.904 27.595 34.225 1.00 1.00 C ATOM 656 NZ LYS A 42 58.594 28.204 33.917 1.00 1.00 N ATOM 0 H LYS A 42 61.870 22.477 32.239 1.00 1.00 H new ATOM 0 HA LYS A 42 61.018 25.138 31.892 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.640 23.534 33.854 1.00 1.00 H new ATOM 0 HB3 LYS A 42 62.334 23.712 34.264 1.00 1.00 H new ATOM 0 HG2 LYS A 42 61.141 25.155 35.731 1.00 1.00 H new ATOM 0 HG3 LYS A 42 61.927 26.196 34.561 1.00 1.00 H new ATOM 0 HD2 LYS A 42 59.432 25.666 33.385 1.00 1.00 H new ATOM 0 HD3 LYS A 42 59.057 25.812 35.091 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.286 28.000 35.162 1.00 1.00 H new ATOM 0 HE3 LYS A 42 60.622 27.857 33.448 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 58.698 29.237 33.851 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 58.243 27.833 33.011 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 57.917 27.972 34.672 1.00 1.00 H new ATOM 670 N LEU A 43 64.238 24.713 32.412 1.00 1.00 N ATOM 671 CA LEU A 43 65.496 25.376 32.219 1.00 1.00 C ATOM 672 C LEU A 43 65.770 25.710 30.786 1.00 1.00 C ATOM 673 O LEU A 43 66.375 26.738 30.488 1.00 1.00 O ATOM 674 CB LEU A 43 66.712 24.675 32.858 1.00 1.00 C ATOM 675 CG LEU A 43 67.091 23.279 32.337 1.00 1.00 C ATOM 676 CD1 LEU A 43 68.590 23.140 32.025 1.00 1.00 C ATOM 677 CD2 LEU A 43 66.594 22.209 33.320 1.00 1.00 C ATOM 0 H LEU A 43 64.320 23.731 32.674 1.00 1.00 H new ATOM 0 HA LEU A 43 65.368 26.309 32.769 1.00 1.00 H new ATOM 0 HB2 LEU A 43 67.578 25.326 32.733 1.00 1.00 H new ATOM 0 HB3 LEU A 43 66.527 24.594 33.929 1.00 1.00 H new ATOM 0 HG LEU A 43 66.592 23.130 31.380 1.00 1.00 H new ATOM 0 HD11 LEU A 43 68.794 22.133 31.661 1.00 1.00 H new ATOM 0 HD12 LEU A 43 68.872 23.865 31.262 1.00 1.00 H new ATOM 0 HD13 LEU A 43 69.169 23.323 32.930 1.00 1.00 H new ATOM 0 HD21 LEU A 43 66.864 21.220 32.949 1.00 1.00 H new ATOM 0 HD22 LEU A 43 67.055 22.369 34.295 1.00 1.00 H new ATOM 0 HD23 LEU A 43 65.510 22.278 33.415 1.00 1.00 H new ATOM 689 N MET A 44 65.300 24.896 29.823 1.00 1.00 N ATOM 690 CA MET A 44 65.403 25.201 28.424 1.00 1.00 C ATOM 691 C MET A 44 64.705 26.464 28.018 1.00 1.00 C ATOM 692 O MET A 44 65.269 27.302 27.316 1.00 1.00 O ATOM 693 CB MET A 44 64.907 24.015 27.575 1.00 1.00 C ATOM 694 CG MET A 44 65.196 24.145 26.074 1.00 1.00 C ATOM 695 SD MET A 44 64.612 22.745 25.071 1.00 1.00 S ATOM 696 CE MET A 44 65.909 21.561 25.531 1.00 1.00 C ATOM 0 H MET A 44 64.839 24.007 30.017 1.00 1.00 H new ATOM 0 HA MET A 44 66.463 25.373 28.236 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.371 23.101 27.944 1.00 1.00 H new ATOM 0 HB3 MET A 44 63.832 23.907 27.717 1.00 1.00 H new ATOM 0 HG2 MET A 44 64.731 25.059 25.705 1.00 1.00 H new ATOM 0 HG3 MET A 44 66.271 24.254 25.932 1.00 1.00 H new ATOM 0 HE1 MET A 44 65.844 20.683 24.889 1.00 1.00 H new ATOM 0 HE2 MET A 44 66.887 22.027 25.410 1.00 1.00 H new ATOM 0 HE3 MET A 44 65.776 21.261 26.570 1.00 1.00 H new ATOM 706 N LYS A 45 63.470 26.695 28.501 1.00 1.00 N ATOM 707 CA LYS A 45 62.778 27.938 28.305 1.00 1.00 C ATOM 708 C LYS A 45 63.426 29.094 29.002 1.00 1.00 C ATOM 709 O LYS A 45 63.529 30.197 28.467 1.00 1.00 O ATOM 710 CB LYS A 45 61.291 27.823 28.688 1.00 1.00 C ATOM 711 CG LYS A 45 60.441 28.991 28.174 1.00 1.00 C ATOM 712 CD LYS A 45 58.931 28.773 28.320 1.00 1.00 C ATOM 713 CE LYS A 45 58.443 28.814 29.770 1.00 1.00 C ATOM 714 NZ LYS A 45 56.978 28.628 29.840 1.00 1.00 N ATOM 0 H LYS A 45 62.940 26.008 29.038 1.00 1.00 H new ATOM 0 HA LYS A 45 62.842 28.149 27.238 1.00 1.00 H new ATOM 0 HB2 LYS A 45 60.892 26.890 28.291 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.205 27.770 29.773 1.00 1.00 H new ATOM 0 HG2 LYS A 45 60.721 29.896 28.713 1.00 1.00 H new ATOM 0 HG3 LYS A 45 60.673 29.161 27.123 1.00 1.00 H new ATOM 0 HD2 LYS A 45 58.405 29.537 27.747 1.00 1.00 H new ATOM 0 HD3 LYS A 45 58.668 27.809 27.884 1.00 1.00 H new ATOM 0 HE2 LYS A 45 58.940 28.035 30.347 1.00 1.00 H new ATOM 0 HE3 LYS A 45 58.714 29.768 30.222 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 56.671 28.660 30.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 56.506 29.386 29.307 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 56.725 27.707 29.429 1.00 1.00 H new ATOM 728 N ALA A 46 63.956 28.881 30.220 1.00 1.00 N ATOM 729 CA ALA A 46 64.692 29.870 30.955 1.00 1.00 C ATOM 730 C ALA A 46 65.963 30.306 30.289 1.00 1.00 C ATOM 731 O ALA A 46 66.335 31.478 30.314 1.00 1.00 O ATOM 732 CB ALA A 46 64.969 29.358 32.380 1.00 1.00 C ATOM 0 H ALA A 46 63.871 27.992 30.712 1.00 1.00 H new ATOM 0 HA ALA A 46 64.065 30.761 30.992 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.528 30.111 32.935 1.00 1.00 H new ATOM 0 HB2 ALA A 46 64.024 29.161 32.886 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.552 28.438 32.329 1.00 1.00 H new ATOM 738 N TYR A 47 66.676 29.375 29.629 1.00 1.00 N ATOM 739 CA TYR A 47 67.847 29.619 28.837 1.00 1.00 C ATOM 740 C TYR A 47 67.563 30.503 27.662 1.00 1.00 C ATOM 741 O TYR A 47 68.298 31.437 27.353 1.00 1.00 O ATOM 742 CB TYR A 47 68.436 28.269 28.373 1.00 1.00 C ATOM 743 CG TYR A 47 69.870 28.261 27.948 1.00 1.00 C ATOM 744 CD1 TYR A 47 70.788 29.200 28.385 1.00 1.00 C ATOM 745 CD2 TYR A 47 70.326 27.215 27.163 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.128 29.089 28.065 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.666 27.096 26.833 1.00 1.00 C ATOM 748 CZ TYR A 47 72.570 28.040 27.283 1.00 1.00 C ATOM 749 OH TYR A 47 73.938 27.972 26.944 1.00 1.00 O ATOM 0 H TYR A 47 66.419 28.388 29.649 1.00 1.00 H new ATOM 0 HA TYR A 47 68.573 30.146 29.456 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.320 27.552 29.186 1.00 1.00 H new ATOM 0 HB3 TYR A 47 67.834 27.906 27.540 1.00 1.00 H new ATOM 0 HD1 TYR A 47 70.452 30.032 28.985 1.00 1.00 H new ATOM 0 HD2 TYR A 47 69.624 26.478 26.801 1.00 1.00 H new ATOM 0 HE1 TYR A 47 72.831 29.824 28.427 1.00 1.00 H new ATOM 0 HE2 TYR A 47 72.003 26.269 26.226 1.00 1.00 H new ATOM 0 HH TYR A 47 74.099 27.179 26.391 1.00 1.00 H new ATOM 759 N CYS A 48 66.421 30.272 26.990 1.00 1.00 N ATOM 760 CA CYS A 48 65.878 31.109 25.958 1.00 1.00 C ATOM 761 C CYS A 48 65.526 32.481 26.442 1.00 1.00 C ATOM 762 O CYS A 48 65.849 33.466 25.781 1.00 1.00 O ATOM 763 CB CYS A 48 64.659 30.427 25.303 1.00 1.00 C ATOM 764 SG CYS A 48 63.866 31.342 23.943 1.00 1.00 S ATOM 0 H CYS A 48 65.841 29.454 27.176 1.00 1.00 H new ATOM 0 HA CYS A 48 66.661 31.240 25.211 1.00 1.00 H new ATOM 0 HB2 CYS A 48 64.972 29.454 24.925 1.00 1.00 H new ATOM 0 HB3 CYS A 48 63.912 30.244 26.075 1.00 1.00 H new ATOM 0 HG CYS A 48 64.616 31.280 22.883 1.00 1.00 H new ATOM 770 N GLU A 49 64.882 32.631 27.616 1.00 1.00 N ATOM 771 CA GLU A 49 64.590 33.919 28.177 1.00 1.00 C ATOM 772 C GLU A 49 65.803 34.709 28.558 1.00 1.00 C ATOM 773 O GLU A 49 65.943 35.865 28.160 1.00 1.00 O ATOM 774 CB GLU A 49 63.676 33.818 29.415 1.00 1.00 C ATOM 775 CG GLU A 49 62.227 33.425 29.096 1.00 1.00 C ATOM 776 CD GLU A 49 61.319 33.570 30.307 1.00 1.00 C ATOM 777 OE1 GLU A 49 61.031 34.720 30.732 1.00 1.00 O ATOM 778 OE2 GLU A 49 60.860 32.531 30.853 1.00 1.00 O ATOM 0 H GLU A 49 64.559 31.848 28.185 1.00 1.00 H new ATOM 0 HA GLU A 49 64.080 34.446 27.370 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.096 33.085 30.104 1.00 1.00 H new ATOM 0 HB3 GLU A 49 63.675 34.778 29.932 1.00 1.00 H new ATOM 0 HG2 GLU A 49 61.852 34.049 28.285 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.200 32.394 28.744 1.00 1.00 H new ATOM 785 N ARG A 50 66.753 34.124 29.311 1.00 1.00 N ATOM 786 CA ARG A 50 67.918 34.840 29.750 1.00 1.00 C ATOM 787 C ARG A 50 68.976 35.039 28.712 1.00 1.00 C ATOM 788 O ARG A 50 69.562 36.112 28.585 1.00 1.00 O ATOM 789 CB ARG A 50 68.560 34.188 30.991 1.00 1.00 C ATOM 790 CG ARG A 50 68.204 34.988 32.248 1.00 1.00 C ATOM 791 CD ARG A 50 69.325 34.875 33.279 1.00 1.00 C ATOM 792 NE ARG A 50 68.965 35.740 34.439 1.00 1.00 N ATOM 793 CZ ARG A 50 69.697 36.800 34.864 1.00 1.00 C ATOM 794 NH1 ARG A 50 70.928 37.115 34.395 1.00 1.00 N ATOM 795 NH2 ARG A 50 69.166 37.602 35.818 1.00 1.00 N ATOM 0 H ARG A 50 66.716 33.152 29.618 1.00 1.00 H new ATOM 0 HA ARG A 50 67.526 35.827 29.994 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.211 33.160 31.093 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.643 34.147 30.871 1.00 1.00 H new ATOM 0 HG2 ARG A 50 68.042 36.034 31.989 1.00 1.00 H new ATOM 0 HG3 ARG A 50 67.271 34.617 32.672 1.00 1.00 H new ATOM 0 HD2 ARG A 50 69.448 33.840 33.598 1.00 1.00 H new ATOM 0 HD3 ARG A 50 70.275 35.191 32.847 1.00 1.00 H new ATOM 0 HE ARG A 50 68.109 35.519 34.948 1.00 1.00 H new ATOM 0 HH11 ARG A 50 71.362 36.538 33.675 1.00 1.00 H new ATOM 0 HH12 ARG A 50 71.421 37.929 34.762 1.00 1.00 H new ATOM 0 HH21 ARG A 50 68.240 37.401 36.196 1.00 1.00 H new ATOM 0 HH22 ARG A 50 69.692 38.407 36.158 1.00 1.00 H new ATOM 809 N GLN A 51 69.276 33.992 27.926 1.00 1.00 N ATOM 810 CA GLN A 51 70.456 33.964 27.114 1.00 1.00 C ATOM 811 C GLN A 51 70.132 33.986 25.652 1.00 1.00 C ATOM 812 O GLN A 51 71.026 34.097 24.816 1.00 1.00 O ATOM 813 CB GLN A 51 71.313 32.761 27.558 1.00 1.00 C ATOM 814 CG GLN A 51 72.032 32.921 28.907 1.00 1.00 C ATOM 815 CD GLN A 51 72.723 34.261 29.132 1.00 1.00 C ATOM 816 OE1 GLN A 51 72.472 34.929 30.136 1.00 1.00 O ATOM 817 NE2 GLN A 51 73.604 34.679 28.187 1.00 1.00 N ATOM 0 H GLN A 51 68.697 33.156 27.851 1.00 1.00 H new ATOM 0 HA GLN A 51 71.044 34.870 27.262 1.00 1.00 H new ATOM 0 HB2 GLN A 51 70.672 31.881 27.610 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.060 32.566 26.789 1.00 1.00 H new ATOM 0 HG2 GLN A 51 71.306 32.769 29.705 1.00 1.00 H new ATOM 0 HG3 GLN A 51 72.776 32.129 28.998 1.00 1.00 H new ATOM 0 HE21 GLN A 51 73.787 34.099 27.368 1.00 1.00 H new ATOM 0 HE22 GLN A 51 74.083 35.573 28.296 1.00 1.00 H new ATOM 826 N GLY A 52 68.835 34.018 25.290 1.00 1.00 N ATOM 827 CA GLY A 52 68.352 34.350 23.977 1.00 1.00 C ATOM 828 C GLY A 52 68.308 33.260 22.957 1.00 1.00 C ATOM 829 O GLY A 52 67.939 33.493 21.807 1.00 1.00 O ATOM 0 H GLY A 52 68.083 33.802 25.944 1.00 1.00 H new ATOM 0 HA2 GLY A 52 67.344 34.752 24.082 1.00 1.00 H new ATOM 0 HA3 GLY A 52 68.976 35.153 23.583 1.00 1.00 H new ATOM 833 N LEU A 53 68.667 32.018 23.328 1.00 1.00 N ATOM 834 CA LEU A 53 68.853 30.938 22.405 1.00 1.00 C ATOM 835 C LEU A 53 67.551 30.393 21.911 1.00 1.00 C ATOM 836 O LEU A 53 66.525 30.486 22.582 1.00 1.00 O ATOM 837 CB LEU A 53 69.691 29.791 22.998 1.00 1.00 C ATOM 838 CG LEU A 53 70.957 30.223 23.759 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.832 28.985 24.013 1.00 1.00 C ATOM 840 CD2 LEU A 53 71.809 31.274 23.027 1.00 1.00 C ATOM 0 H LEU A 53 68.833 31.756 24.300 1.00 1.00 H new ATOM 0 HA LEU A 53 69.401 31.365 21.565 1.00 1.00 H new ATOM 0 HB2 LEU A 53 69.060 29.215 23.675 1.00 1.00 H new ATOM 0 HB3 LEU A 53 69.985 29.122 22.189 1.00 1.00 H new ATOM 0 HG LEU A 53 70.612 30.686 24.684 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.732 29.280 24.552 1.00 1.00 H new ATOM 0 HD12 LEU A 53 71.274 28.261 24.607 1.00 1.00 H new ATOM 0 HD13 LEU A 53 72.111 28.535 23.060 1.00 1.00 H new ATOM 0 HD21 LEU A 53 72.681 31.522 23.633 1.00 1.00 H new ATOM 0 HD22 LEU A 53 72.136 30.873 22.067 1.00 1.00 H new ATOM 0 HD23 LEU A 53 71.215 32.173 22.862 1.00 1.00 H new ATOM 852 N SER A 54 67.530 29.806 20.702 1.00 1.00 N ATOM 853 CA SER A 54 66.308 29.334 20.121 1.00 1.00 C ATOM 854 C SER A 54 66.193 27.859 20.334 1.00 1.00 C ATOM 855 O SER A 54 67.101 27.102 20.000 1.00 1.00 O ATOM 856 CB SER A 54 66.258 29.618 18.610 1.00 1.00 C ATOM 857 OG SER A 54 66.143 31.010 18.344 1.00 1.00 O ATOM 0 H SER A 54 68.358 29.657 20.125 1.00 1.00 H new ATOM 0 HA SER A 54 65.483 29.859 20.603 1.00 1.00 H new ATOM 0 HB2 SER A 54 67.159 29.229 18.136 1.00 1.00 H new ATOM 0 HB3 SER A 54 65.413 29.091 18.168 1.00 1.00 H new ATOM 0 HG SER A 54 66.115 31.157 17.375 1.00 1.00 H new ATOM 863 N MET A 55 65.070 27.362 20.887 1.00 1.00 N ATOM 864 CA MET A 55 64.917 25.979 21.241 1.00 1.00 C ATOM 865 C MET A 55 64.897 25.025 20.086 1.00 1.00 C ATOM 866 O MET A 55 65.214 23.847 20.237 1.00 1.00 O ATOM 867 CB MET A 55 63.712 25.750 22.174 1.00 1.00 C ATOM 868 CG MET A 55 62.333 26.002 21.555 1.00 1.00 C ATOM 869 SD MET A 55 60.954 25.742 22.712 1.00 1.00 S ATOM 870 CE MET A 55 61.257 27.208 23.740 1.00 1.00 C ATOM 0 H MET A 55 64.249 27.932 21.093 1.00 1.00 H new ATOM 0 HA MET A 55 65.830 25.743 21.787 1.00 1.00 H new ATOM 0 HB2 MET A 55 63.745 24.722 22.534 1.00 1.00 H new ATOM 0 HB3 MET A 55 63.822 26.396 23.045 1.00 1.00 H new ATOM 0 HG2 MET A 55 62.294 27.025 21.181 1.00 1.00 H new ATOM 0 HG3 MET A 55 62.204 25.343 20.696 1.00 1.00 H new ATOM 0 HE1 MET A 55 60.308 27.597 24.108 1.00 1.00 H new ATOM 0 HE2 MET A 55 61.890 26.936 24.585 1.00 1.00 H new ATOM 0 HE3 MET A 55 61.756 27.973 23.145 1.00 1.00 H new ATOM 880 N ARG A 56 64.593 25.513 18.868 1.00 1.00 N ATOM 881 CA ARG A 56 64.718 24.778 17.642 1.00 1.00 C ATOM 882 C ARG A 56 66.129 24.636 17.157 1.00 1.00 C ATOM 883 O ARG A 56 66.408 23.875 16.231 1.00 1.00 O ATOM 884 CB ARG A 56 63.825 25.398 16.547 1.00 1.00 C ATOM 885 CG ARG A 56 64.242 26.773 16.009 1.00 1.00 C ATOM 886 CD ARG A 56 63.123 27.484 15.240 1.00 1.00 C ATOM 887 NE ARG A 56 63.640 28.808 14.784 1.00 1.00 N ATOM 888 CZ ARG A 56 63.865 29.176 13.497 1.00 1.00 C ATOM 889 NH1 ARG A 56 63.701 28.340 12.443 1.00 1.00 N ATOM 890 NH2 ARG A 56 64.248 30.451 13.234 1.00 1.00 N ATOM 0 H ARG A 56 64.245 26.462 18.730 1.00 1.00 H new ATOM 0 HA ARG A 56 64.378 23.766 17.863 1.00 1.00 H new ATOM 0 HB2 ARG A 56 63.785 24.703 15.708 1.00 1.00 H new ATOM 0 HB3 ARG A 56 62.812 25.481 16.941 1.00 1.00 H new ATOM 0 HG2 ARG A 56 64.558 27.401 16.842 1.00 1.00 H new ATOM 0 HG3 ARG A 56 65.105 26.653 15.354 1.00 1.00 H new ATOM 0 HD2 ARG A 56 62.808 26.884 14.386 1.00 1.00 H new ATOM 0 HD3 ARG A 56 62.248 27.616 15.877 1.00 1.00 H new ATOM 0 HE ARG A 56 63.843 29.500 15.506 1.00 1.00 H new ATOM 0 HH11 ARG A 56 63.394 27.380 12.597 1.00 1.00 H new ATOM 0 HH12 ARG A 56 63.885 28.671 11.496 1.00 1.00 H new ATOM 0 HH21 ARG A 56 64.363 31.117 13.998 1.00 1.00 H new ATOM 0 HH22 ARG A 56 64.421 30.743 12.272 1.00 1.00 H new ATOM 904 N GLN A 57 67.091 25.369 17.748 1.00 1.00 N ATOM 905 CA GLN A 57 68.470 25.392 17.354 1.00 1.00 C ATOM 906 C GLN A 57 69.384 24.721 18.332 1.00 1.00 C ATOM 907 O GLN A 57 70.557 24.490 18.040 1.00 1.00 O ATOM 908 CB GLN A 57 68.895 26.866 17.198 1.00 1.00 C ATOM 909 CG GLN A 57 68.122 27.651 16.126 1.00 1.00 C ATOM 910 CD GLN A 57 68.278 27.147 14.696 1.00 1.00 C ATOM 911 OE1 GLN A 57 69.054 27.692 13.911 1.00 1.00 O ATOM 912 NE2 GLN A 57 67.479 26.123 14.297 1.00 1.00 N ATOM 0 H GLN A 57 66.898 25.978 18.543 1.00 1.00 H new ATOM 0 HA GLN A 57 68.555 24.836 16.420 1.00 1.00 H new ATOM 0 HB2 GLN A 57 68.770 27.369 18.157 1.00 1.00 H new ATOM 0 HB3 GLN A 57 69.957 26.899 16.957 1.00 1.00 H new ATOM 0 HG2 GLN A 57 67.063 27.635 16.384 1.00 1.00 H new ATOM 0 HG3 GLN A 57 68.443 28.692 16.162 1.00 1.00 H new ATOM 0 HE21 GLN A 57 66.842 25.684 14.962 1.00 1.00 H new ATOM 0 HE22 GLN A 57 67.516 25.793 13.332 1.00 1.00 H new ATOM 921 N ILE A 58 68.894 24.328 19.523 1.00 1.00 N ATOM 922 CA ILE A 58 69.690 23.699 20.539 1.00 1.00 C ATOM 923 C ILE A 58 69.032 22.436 20.995 1.00 1.00 C ATOM 924 O ILE A 58 67.809 22.309 20.971 1.00 1.00 O ATOM 925 CB ILE A 58 69.956 24.576 21.737 1.00 1.00 C ATOM 926 CG1 ILE A 58 68.672 25.092 22.416 1.00 1.00 C ATOM 927 CG2 ILE A 58 70.870 25.732 21.289 1.00 1.00 C ATOM 928 CD1 ILE A 58 68.925 25.882 23.702 1.00 1.00 C ATOM 0 H ILE A 58 67.917 24.450 19.789 1.00 1.00 H new ATOM 0 HA ILE A 58 70.655 23.493 20.077 1.00 1.00 H new ATOM 0 HB ILE A 58 70.450 23.978 22.503 1.00 1.00 H new ATOM 0 HG12 ILE A 58 68.130 25.725 21.713 1.00 1.00 H new ATOM 0 HG13 ILE A 58 68.027 24.243 22.644 1.00 1.00 H new ATOM 0 HG21 ILE A 58 71.078 26.382 22.139 1.00 1.00 H new ATOM 0 HG22 ILE A 58 71.806 25.327 20.904 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.374 26.306 20.506 1.00 1.00 H new ATOM 0 HD11 ILE A 58 67.974 26.211 24.120 1.00 1.00 H new ATOM 0 HD12 ILE A 58 69.438 25.247 24.424 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.543 26.752 23.479 1.00 1.00 H new ATOM 940 N ARG A 59 69.824 21.440 21.433 1.00 1.00 N ATOM 941 CA ARG A 59 69.347 20.248 22.073 1.00 1.00 C ATOM 942 C ARG A 59 70.260 19.942 23.217 1.00 1.00 C ATOM 943 O ARG A 59 71.445 20.269 23.174 1.00 1.00 O ATOM 944 CB ARG A 59 69.349 19.036 21.121 1.00 1.00 C ATOM 945 CG ARG A 59 68.264 19.025 20.036 1.00 1.00 C ATOM 946 CD ARG A 59 66.841 18.770 20.541 1.00 1.00 C ATOM 947 NE ARG A 59 66.268 20.080 20.959 1.00 1.00 N ATOM 948 CZ ARG A 59 65.034 20.245 21.498 1.00 1.00 C ATOM 949 NH1 ARG A 59 64.296 19.185 21.907 1.00 1.00 N ATOM 950 NH2 ARG A 59 64.544 21.501 21.637 1.00 1.00 N ATOM 0 H ARG A 59 70.839 21.464 21.338 1.00 1.00 H new ATOM 0 HA ARG A 59 68.321 20.422 22.398 1.00 1.00 H new ATOM 0 HB2 ARG A 59 70.322 18.985 20.633 1.00 1.00 H new ATOM 0 HB3 ARG A 59 69.245 18.131 21.719 1.00 1.00 H new ATOM 0 HG2 ARG A 59 68.282 19.983 19.517 1.00 1.00 H new ATOM 0 HG3 ARG A 59 68.515 18.260 19.302 1.00 1.00 H new ATOM 0 HD2 ARG A 59 66.232 18.319 19.758 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.851 18.072 21.378 1.00 1.00 H new ATOM 0 HE ARG A 59 66.844 20.912 20.831 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.666 18.239 21.812 1.00 1.00 H new ATOM 0 HH12 ARG A 59 63.370 19.333 22.309 1.00 1.00 H new ATOM 0 HH21 ARG A 59 65.101 22.302 21.339 1.00 1.00 H new ATOM 0 HH22 ARG A 59 63.618 21.646 22.040 1.00 1.00 H new ATOM 964 N PHE A 60 69.749 19.311 24.291 1.00 1.00 N ATOM 965 CA PHE A 60 70.513 19.028 25.472 1.00 1.00 C ATOM 966 C PHE A 60 70.790 17.560 25.553 1.00 1.00 C ATOM 967 O PHE A 60 69.973 16.724 25.168 1.00 1.00 O ATOM 968 CB PHE A 60 69.765 19.439 26.756 1.00 1.00 C ATOM 969 CG PHE A 60 69.519 20.900 26.957 1.00 1.00 C ATOM 970 CD1 PHE A 60 70.155 21.910 26.255 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.633 21.250 27.960 1.00 1.00 C ATOM 972 CE1 PHE A 60 69.894 23.240 26.536 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.366 22.574 28.252 1.00 1.00 C ATOM 974 CZ PHE A 60 68.996 23.574 27.534 1.00 1.00 C ATOM 0 H PHE A 60 68.782 18.989 24.341 1.00 1.00 H new ATOM 0 HA PHE A 60 71.437 19.602 25.401 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.802 18.928 26.766 1.00 1.00 H new ATOM 0 HB3 PHE A 60 70.331 19.069 27.611 1.00 1.00 H new ATOM 0 HD1 PHE A 60 70.863 21.657 25.479 1.00 1.00 H new ATOM 0 HD2 PHE A 60 68.140 20.473 28.526 1.00 1.00 H new ATOM 0 HE1 PHE A 60 70.392 24.018 25.976 1.00 1.00 H new ATOM 0 HE2 PHE A 60 67.669 22.827 29.037 1.00 1.00 H new ATOM 0 HZ PHE A 60 68.788 24.611 27.751 1.00 1.00 H new ATOM 984 N ARG A 61 71.978 17.186 26.062 1.00 1.00 N ATOM 985 CA ARG A 61 72.418 15.827 26.182 1.00 1.00 C ATOM 986 C ARG A 61 73.012 15.567 27.529 1.00 1.00 C ATOM 987 O ARG A 61 73.444 16.469 28.246 1.00 1.00 O ATOM 988 CB ARG A 61 73.479 15.465 25.125 1.00 1.00 C ATOM 989 CG ARG A 61 72.872 15.433 23.721 1.00 1.00 C ATOM 990 CD ARG A 61 73.851 15.031 22.617 1.00 1.00 C ATOM 991 NE ARG A 61 73.088 15.147 21.342 1.00 1.00 N ATOM 992 CZ ARG A 61 73.662 15.216 20.114 1.00 1.00 C ATOM 993 NH1 ARG A 61 74.987 15.017 19.917 1.00 1.00 N ATOM 994 NH2 ARG A 61 72.869 15.512 19.056 1.00 1.00 N ATOM 0 H ARG A 61 72.663 17.859 26.405 1.00 1.00 H new ATOM 0 HA ARG A 61 71.530 15.213 26.032 1.00 1.00 H new ATOM 0 HB2 ARG A 61 74.291 16.192 25.157 1.00 1.00 H new ATOM 0 HB3 ARG A 61 73.912 14.493 25.359 1.00 1.00 H new ATOM 0 HG2 ARG A 61 72.033 14.737 23.717 1.00 1.00 H new ATOM 0 HG3 ARG A 61 72.469 16.419 23.490 1.00 1.00 H new ATOM 0 HD2 ARG A 61 74.725 15.683 22.612 1.00 1.00 H new ATOM 0 HD3 ARG A 61 74.213 14.014 22.766 1.00 1.00 H new ATOM 0 HE ARG A 61 72.070 15.176 21.396 1.00 1.00 H new ATOM 0 HH11 ARG A 61 75.594 14.806 20.709 1.00 1.00 H new ATOM 0 HH12 ARG A 61 75.378 15.078 18.977 1.00 1.00 H new ATOM 0 HH21 ARG A 61 71.872 15.675 19.196 1.00 1.00 H new ATOM 0 HH22 ARG A 61 73.269 15.572 18.120 1.00 1.00 H new ATOM 1008 N PHE A 62 73.044 14.273 27.893 1.00 1.00 N ATOM 1009 CA PHE A 62 73.701 13.800 29.075 1.00 1.00 C ATOM 1010 C PHE A 62 74.405 12.524 28.735 1.00 1.00 C ATOM 1011 O PHE A 62 73.781 11.589 28.234 1.00 1.00 O ATOM 1012 CB PHE A 62 72.656 13.561 30.182 1.00 1.00 C ATOM 1013 CG PHE A 62 73.272 13.178 31.487 1.00 1.00 C ATOM 1014 CD1 PHE A 62 73.869 14.134 32.288 1.00 1.00 C ATOM 1015 CD2 PHE A 62 73.258 11.859 31.906 1.00 1.00 C ATOM 1016 CE1 PHE A 62 74.448 13.776 33.492 1.00 1.00 C ATOM 1017 CE2 PHE A 62 73.835 11.492 33.108 1.00 1.00 C ATOM 1018 CZ PHE A 62 74.433 12.454 33.901 1.00 1.00 C ATOM 0 H PHE A 62 72.600 13.532 27.350 1.00 1.00 H new ATOM 0 HA PHE A 62 74.422 14.533 29.436 1.00 1.00 H new ATOM 0 HB2 PHE A 62 72.063 14.466 30.317 1.00 1.00 H new ATOM 0 HB3 PHE A 62 71.971 12.775 29.865 1.00 1.00 H new ATOM 0 HD1 PHE A 62 73.883 15.167 31.972 1.00 1.00 H new ATOM 0 HD2 PHE A 62 72.791 11.107 31.287 1.00 1.00 H new ATOM 0 HE1 PHE A 62 74.912 14.528 34.113 1.00 1.00 H new ATOM 0 HE2 PHE A 62 73.819 10.460 33.426 1.00 1.00 H new ATOM 0 HZ PHE A 62 74.888 12.174 34.839 1.00 1.00 H new ATOM 1028 N ASP A 63 75.730 12.459 28.967 1.00 1.00 N ATOM 1029 CA ASP A 63 76.586 11.338 28.692 1.00 1.00 C ATOM 1030 C ASP A 63 76.545 10.896 27.259 1.00 1.00 C ATOM 1031 O ASP A 63 76.571 9.714 26.916 1.00 1.00 O ATOM 1032 CB ASP A 63 76.363 10.221 29.732 1.00 1.00 C ATOM 1033 CG ASP A 63 77.532 9.256 29.822 1.00 1.00 C ATOM 1034 OD1 ASP A 63 78.692 9.709 30.008 1.00 1.00 O ATOM 1035 OD2 ASP A 63 77.309 8.020 29.736 1.00 1.00 O ATOM 0 H ASP A 63 76.240 13.243 29.375 1.00 1.00 H new ATOM 0 HA ASP A 63 77.620 11.660 28.813 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.194 10.671 30.710 1.00 1.00 H new ATOM 0 HB3 ASP A 63 75.460 9.667 29.475 1.00 1.00 H new ATOM 1040 N GLY A 64 76.466 11.879 26.343 1.00 1.00 N ATOM 1041 CA GLY A 64 76.350 11.670 24.928 1.00 1.00 C ATOM 1042 C GLY A 64 74.994 11.300 24.423 1.00 1.00 C ATOM 1043 O GLY A 64 74.842 11.065 23.225 1.00 1.00 O ATOM 0 H GLY A 64 76.484 12.866 26.599 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.667 12.581 24.420 1.00 1.00 H new ATOM 0 HA3 GLY A 64 77.049 10.885 24.640 1.00 1.00 H new ATOM 1047 N GLN A 65 73.951 11.233 25.274 1.00 1.00 N ATOM 1048 CA GLN A 65 72.672 10.718 24.876 1.00 1.00 C ATOM 1049 C GLN A 65 71.644 11.804 24.959 1.00 1.00 C ATOM 1050 O GLN A 65 71.715 12.593 25.902 1.00 1.00 O ATOM 1051 CB GLN A 65 72.205 9.552 25.768 1.00 1.00 C ATOM 1052 CG GLN A 65 73.267 8.491 26.086 1.00 1.00 C ATOM 1053 CD GLN A 65 73.896 7.869 24.845 1.00 1.00 C ATOM 1054 OE1 GLN A 65 73.229 7.425 23.910 1.00 1.00 O ATOM 1055 NE2 GLN A 65 75.253 7.808 24.845 1.00 1.00 N ATOM 0 H GLN A 65 73.994 11.538 26.246 1.00 1.00 H new ATOM 0 HA GLN A 65 72.782 10.352 23.855 1.00 1.00 H new ATOM 0 HB2 GLN A 65 71.836 9.963 26.708 1.00 1.00 H new ATOM 0 HB3 GLN A 65 71.362 9.061 25.281 1.00 1.00 H new ATOM 0 HG2 GLN A 65 74.051 8.944 26.693 1.00 1.00 H new ATOM 0 HG3 GLN A 65 72.813 7.703 26.687 1.00 1.00 H new ATOM 0 HE21 GLN A 65 75.780 8.184 25.633 1.00 1.00 H new ATOM 0 HE22 GLN A 65 75.745 7.386 24.057 1.00 1.00 H new ATOM 1064 N PRO A 66 70.699 11.945 24.066 1.00 1.00 N ATOM 1065 CA PRO A 66 69.569 12.827 24.216 1.00 1.00 C ATOM 1066 C PRO A 66 68.811 12.757 25.506 1.00 1.00 C ATOM 1067 O PRO A 66 68.470 11.667 25.962 1.00 1.00 O ATOM 1068 CB PRO A 66 68.661 12.486 23.032 1.00 1.00 C ATOM 1069 CG PRO A 66 69.642 12.030 21.945 1.00 1.00 C ATOM 1070 CD PRO A 66 70.699 11.281 22.768 1.00 1.00 C ATOM 0 HA PRO A 66 69.936 13.853 24.235 1.00 1.00 H new ATOM 0 HB2 PRO A 66 67.950 11.700 23.286 1.00 1.00 H new ATOM 0 HB3 PRO A 66 68.080 13.350 22.711 1.00 1.00 H new ATOM 0 HG2 PRO A 66 69.164 11.384 21.208 1.00 1.00 H new ATOM 0 HG3 PRO A 66 70.069 12.872 21.401 1.00 1.00 H new ATOM 0 HD2 PRO A 66 70.450 10.224 22.864 1.00 1.00 H new ATOM 0 HD3 PRO A 66 71.680 11.335 22.296 1.00 1.00 H new ATOM 1078 N ILE A 67 68.472 13.920 26.091 1.00 1.00 N ATOM 1079 CA ILE A 67 67.570 14.043 27.201 1.00 1.00 C ATOM 1080 C ILE A 67 66.421 14.865 26.719 1.00 1.00 C ATOM 1081 O ILE A 67 66.582 15.818 25.956 1.00 1.00 O ATOM 1082 CB ILE A 67 68.176 14.648 28.441 1.00 1.00 C ATOM 1083 CG1 ILE A 67 69.016 15.898 28.126 1.00 1.00 C ATOM 1084 CG2 ILE A 67 69.014 13.562 29.138 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.537 16.646 29.352 1.00 1.00 C ATOM 0 H ILE A 67 68.842 14.817 25.778 1.00 1.00 H new ATOM 0 HA ILE A 67 67.269 13.044 27.516 1.00 1.00 H new ATOM 0 HB ILE A 67 67.381 14.988 29.104 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.865 15.602 27.510 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.413 16.583 27.529 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.465 13.974 30.041 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.372 12.722 29.404 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.799 13.220 28.464 1.00 1.00 H new ATOM 0 HD11 ILE A 67 70.117 17.511 29.031 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.696 16.979 29.960 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.170 15.983 29.941 1.00 1.00 H new ATOM 1097 N ASN A 68 65.189 14.474 27.092 1.00 1.00 N ATOM 1098 CA ASN A 68 64.001 14.935 26.432 1.00 1.00 C ATOM 1099 C ASN A 68 63.317 15.961 27.275 1.00 1.00 C ATOM 1100 O ASN A 68 63.615 16.134 28.455 1.00 1.00 O ATOM 1101 CB ASN A 68 63.040 13.768 26.135 1.00 1.00 C ATOM 1102 CG ASN A 68 63.681 12.764 25.187 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.527 12.845 23.969 1.00 1.00 O ATOM 1104 ND2 ASN A 68 64.411 11.770 25.755 1.00 1.00 N ATOM 0 H ASN A 68 65.012 13.829 27.862 1.00 1.00 H new ATOM 0 HA ASN A 68 64.291 15.383 25.482 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.766 13.271 27.066 1.00 1.00 H new ATOM 0 HB3 ASN A 68 62.119 14.152 25.696 1.00 1.00 H new ATOM 0 HD21 ASN A 68 64.851 11.061 25.168 1.00 1.00 H new ATOM 0 HD22 ASN A 68 64.519 11.732 26.769 1.00 1.00 H new ATOM 1111 N GLU A 69 62.338 16.705 26.734 1.00 1.00 N ATOM 1112 CA GLU A 69 61.687 17.762 27.456 1.00 1.00 C ATOM 1113 C GLU A 69 60.677 17.220 28.418 1.00 1.00 C ATOM 1114 O GLU A 69 60.260 17.866 29.379 1.00 1.00 O ATOM 1115 CB GLU A 69 61.052 18.724 26.436 1.00 1.00 C ATOM 1116 CG GLU A 69 62.139 19.499 25.680 1.00 1.00 C ATOM 1117 CD GLU A 69 61.661 19.928 24.304 1.00 1.00 C ATOM 1118 OE1 GLU A 69 60.899 20.922 24.184 1.00 1.00 O ATOM 1119 OE2 GLU A 69 62.042 19.258 23.308 1.00 1.00 O ATOM 0 H GLU A 69 61.990 16.575 25.784 1.00 1.00 H new ATOM 0 HA GLU A 69 62.416 18.306 28.057 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.440 18.163 25.730 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.389 19.421 26.949 1.00 1.00 H new ATOM 0 HG2 GLU A 69 62.428 20.378 26.256 1.00 1.00 H new ATOM 0 HG3 GLU A 69 63.028 18.877 25.580 1.00 1.00 H new ATOM 1126 N THR A 70 60.323 15.946 28.185 1.00 1.00 N ATOM 1127 CA THR A 70 59.598 15.009 28.993 1.00 1.00 C ATOM 1128 C THR A 70 60.429 14.372 30.065 1.00 1.00 C ATOM 1129 O THR A 70 59.895 13.743 30.976 1.00 1.00 O ATOM 1130 CB THR A 70 59.077 13.902 28.115 1.00 1.00 C ATOM 1131 OG1 THR A 70 59.945 13.658 27.016 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.723 14.326 27.524 1.00 1.00 C ATOM 0 H THR A 70 60.585 15.512 27.300 1.00 1.00 H new ATOM 0 HA THR A 70 58.800 15.575 29.474 1.00 1.00 H new ATOM 0 HB THR A 70 58.996 13.005 28.729 1.00 1.00 H new ATOM 0 HG1 THR A 70 59.650 14.184 26.243 1.00 1.00 H new ATOM 0 HG21 THR A 70 57.339 13.530 26.887 1.00 1.00 H new ATOM 0 HG22 THR A 70 57.017 14.517 28.332 1.00 1.00 H new ATOM 0 HG23 THR A 70 57.852 15.233 26.933 1.00 1.00 H new ATOM 1140 N ASP A 71 61.770 14.479 30.027 1.00 1.00 N ATOM 1141 CA ASP A 71 62.639 14.057 31.083 1.00 1.00 C ATOM 1142 C ASP A 71 62.810 15.132 32.111 1.00 1.00 C ATOM 1143 O ASP A 71 62.385 16.279 31.977 1.00 1.00 O ATOM 1144 CB ASP A 71 64.005 13.630 30.517 1.00 1.00 C ATOM 1145 CG ASP A 71 63.916 12.345 29.715 1.00 1.00 C ATOM 1146 OD1 ASP A 71 63.152 11.421 30.098 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.665 12.229 28.709 1.00 1.00 O ATOM 0 H ASP A 71 62.268 14.875 29.230 1.00 1.00 H new ATOM 0 HA ASP A 71 62.178 13.199 31.572 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.399 14.425 29.884 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.711 13.497 31.337 1.00 1.00 H new ATOM 1152 N THR A 72 63.428 14.768 33.249 1.00 1.00 N ATOM 1153 CA THR A 72 63.277 15.501 34.477 1.00 1.00 C ATOM 1154 C THR A 72 64.498 15.357 35.330 1.00 1.00 C ATOM 1155 O THR A 72 65.266 14.416 35.126 1.00 1.00 O ATOM 1156 CB THR A 72 62.054 15.201 35.316 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.093 13.958 36.004 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.754 15.179 34.495 1.00 1.00 C ATOM 0 H THR A 72 64.041 13.956 33.323 1.00 1.00 H new ATOM 0 HA THR A 72 63.133 16.525 34.132 1.00 1.00 H new ATOM 0 HB THR A 72 62.066 16.021 36.034 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.268 13.844 36.521 1.00 1.00 H new ATOM 0 HG21 THR A 72 59.913 14.959 35.152 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.603 16.151 34.026 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.823 14.411 33.724 1.00 1.00 H new ATOM 1166 N PRO A 73 64.739 16.207 36.296 1.00 1.00 N ATOM 1167 CA PRO A 73 65.735 16.001 37.316 1.00 1.00 C ATOM 1168 C PRO A 73 65.565 14.763 38.134 1.00 1.00 C ATOM 1169 O PRO A 73 66.572 14.222 38.586 1.00 1.00 O ATOM 1170 CB PRO A 73 65.658 17.245 38.203 1.00 1.00 C ATOM 1171 CG PRO A 73 65.198 18.343 37.237 1.00 1.00 C ATOM 1172 CD PRO A 73 64.230 17.571 36.333 1.00 1.00 C ATOM 0 HA PRO A 73 66.705 15.857 36.840 1.00 1.00 H new ATOM 0 HB2 PRO A 73 64.953 17.110 39.023 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.624 17.481 38.649 1.00 1.00 H new ATOM 0 HG2 PRO A 73 64.706 19.166 37.756 1.00 1.00 H new ATOM 0 HG3 PRO A 73 66.029 18.771 36.677 1.00 1.00 H new ATOM 0 HD2 PRO A 73 63.215 17.601 36.729 1.00 1.00 H new ATOM 0 HD3 PRO A 73 64.195 18.005 35.334 1.00 1.00 H new ATOM 1180 N ALA A 74 64.328 14.291 38.374 1.00 1.00 N ATOM 1181 CA ALA A 74 64.086 13.031 39.015 1.00 1.00 C ATOM 1182 C ALA A 74 64.508 11.861 38.184 1.00 1.00 C ATOM 1183 O ALA A 74 65.187 10.946 38.646 1.00 1.00 O ATOM 1184 CB ALA A 74 62.578 12.875 39.279 1.00 1.00 C ATOM 0 H ALA A 74 63.478 14.793 38.118 1.00 1.00 H new ATOM 0 HA ALA A 74 64.671 13.037 39.934 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.391 11.918 39.766 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.236 13.684 39.925 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.037 12.912 38.333 1.00 1.00 H new ATOM 1190 N GLN A 75 64.145 11.874 36.889 1.00 1.00 N ATOM 1191 CA GLN A 75 64.391 10.805 35.966 1.00 1.00 C ATOM 1192 C GLN A 75 65.835 10.629 35.619 1.00 1.00 C ATOM 1193 O GLN A 75 66.336 9.518 35.452 1.00 1.00 O ATOM 1194 CB GLN A 75 63.587 11.049 34.676 1.00 1.00 C ATOM 1195 CG GLN A 75 62.090 10.720 34.760 1.00 1.00 C ATOM 1196 CD GLN A 75 61.770 9.238 34.941 1.00 1.00 C ATOM 1197 OE1 GLN A 75 62.594 8.380 35.254 1.00 1.00 O ATOM 1198 NE2 GLN A 75 60.470 8.901 34.743 1.00 1.00 N ATOM 0 H GLN A 75 63.658 12.664 36.465 1.00 1.00 H new ATOM 0 HA GLN A 75 64.074 9.888 36.463 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.696 12.096 34.393 1.00 1.00 H new ATOM 0 HB3 GLN A 75 64.028 10.455 33.876 1.00 1.00 H new ATOM 0 HG2 GLN A 75 61.656 11.275 35.592 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.603 11.074 33.852 1.00 1.00 H new ATOM 0 HE21 GLN A 75 59.791 9.617 34.484 1.00 1.00 H new ATOM 0 HE22 GLN A 75 60.172 7.932 34.854 1.00 1.00 H new ATOM 1207 N LEU A 76 66.574 11.745 35.486 1.00 1.00 N ATOM 1208 CA LEU A 76 67.970 11.721 35.160 1.00 1.00 C ATOM 1209 C LEU A 76 68.831 11.790 36.386 1.00 1.00 C ATOM 1210 O LEU A 76 70.059 11.748 36.318 1.00 1.00 O ATOM 1211 CB LEU A 76 68.238 12.924 34.237 1.00 1.00 C ATOM 1212 CG LEU A 76 69.541 12.856 33.421 1.00 1.00 C ATOM 1213 CD1 LEU A 76 69.446 11.817 32.292 1.00 1.00 C ATOM 1214 CD2 LEU A 76 69.897 14.242 32.861 1.00 1.00 C ATOM 0 H LEU A 76 66.196 12.685 35.607 1.00 1.00 H new ATOM 0 HA LEU A 76 68.221 10.783 34.665 1.00 1.00 H new ATOM 0 HB2 LEU A 76 67.401 13.022 33.545 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.257 13.829 34.845 1.00 1.00 H new ATOM 0 HG LEU A 76 70.339 12.537 34.091 1.00 1.00 H new ATOM 0 HD11 LEU A 76 70.384 11.796 31.737 1.00 1.00 H new ATOM 0 HD12 LEU A 76 69.255 10.832 32.719 1.00 1.00 H new ATOM 0 HD13 LEU A 76 68.632 12.085 31.619 1.00 1.00 H new ATOM 0 HD21 LEU A 76 70.821 14.176 32.287 1.00 1.00 H new ATOM 0 HD22 LEU A 76 69.092 14.591 32.214 1.00 1.00 H new ATOM 0 HD23 LEU A 76 70.031 14.944 33.684 1.00 1.00 H new ATOM 1226 N GLU A 77 68.202 11.875 37.572 1.00 1.00 N ATOM 1227 CA GLU A 77 68.797 11.896 38.878 1.00 1.00 C ATOM 1228 C GLU A 77 69.813 12.971 39.116 1.00 1.00 C ATOM 1229 O GLU A 77 70.850 12.753 39.743 1.00 1.00 O ATOM 1230 CB GLU A 77 69.292 10.507 39.328 1.00 1.00 C ATOM 1231 CG GLU A 77 68.170 9.460 39.335 1.00 1.00 C ATOM 1232 CD GLU A 77 68.622 8.141 39.936 1.00 1.00 C ATOM 1233 OE1 GLU A 77 69.523 7.482 39.354 1.00 1.00 O ATOM 1234 OE2 GLU A 77 68.054 7.716 40.977 1.00 1.00 O ATOM 0 H GLU A 77 67.185 11.934 37.622 1.00 1.00 H new ATOM 0 HA GLU A 77 67.969 12.177 39.529 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.090 10.176 38.663 1.00 1.00 H new ATOM 0 HB3 GLU A 77 69.720 10.583 40.327 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.321 9.843 39.901 1.00 1.00 H new ATOM 0 HG3 GLU A 77 67.824 9.293 38.315 1.00 1.00 H new ATOM 1241 N MET A 78 69.529 14.202 38.650 1.00 1.00 N ATOM 1242 CA MET A 78 70.313 15.391 38.813 1.00 1.00 C ATOM 1243 C MET A 78 70.529 15.780 40.244 1.00 1.00 C ATOM 1244 O MET A 78 69.713 15.500 41.122 1.00 1.00 O ATOM 1245 CB MET A 78 69.648 16.548 38.047 1.00 1.00 C ATOM 1246 CG MET A 78 69.508 16.332 36.537 1.00 1.00 C ATOM 1247 SD MET A 78 68.636 17.731 35.772 1.00 1.00 S ATOM 1248 CE MET A 78 68.209 17.028 34.154 1.00 1.00 C ATOM 0 H MET A 78 68.679 14.379 38.114 1.00 1.00 H new ATOM 0 HA MET A 78 71.301 15.176 38.407 1.00 1.00 H new ATOM 0 HB2 MET A 78 68.657 16.719 38.467 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.227 17.456 38.216 1.00 1.00 H new ATOM 0 HG2 MET A 78 70.494 16.221 36.087 1.00 1.00 H new ATOM 0 HG3 MET A 78 68.964 15.407 36.345 1.00 1.00 H new ATOM 0 HE1 MET A 78 67.416 17.620 33.698 1.00 1.00 H new ATOM 0 HE2 MET A 78 69.087 17.040 33.509 1.00 1.00 H new ATOM 0 HE3 MET A 78 67.867 16.001 34.282 1.00 1.00 H new ATOM 1258 N GLU A 79 71.676 16.418 40.533 1.00 1.00 N ATOM 1259 CA GLU A 79 72.157 16.578 41.875 1.00 1.00 C ATOM 1260 C GLU A 79 72.037 18.015 42.270 1.00 1.00 C ATOM 1261 O GLU A 79 71.475 18.830 41.542 1.00 1.00 O ATOM 1262 CB GLU A 79 73.627 16.127 41.975 1.00 1.00 C ATOM 1263 CG GLU A 79 73.858 14.672 41.547 1.00 1.00 C ATOM 1264 CD GLU A 79 75.278 14.215 41.840 1.00 1.00 C ATOM 1265 OE1 GLU A 79 76.245 14.791 41.273 1.00 1.00 O ATOM 1266 OE2 GLU A 79 75.446 13.271 42.657 1.00 1.00 O ATOM 0 H GLU A 79 72.282 16.831 39.825 1.00 1.00 H new ATOM 0 HA GLU A 79 71.560 15.961 42.547 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.241 16.780 41.355 1.00 1.00 H new ATOM 0 HB3 GLU A 79 73.967 16.252 43.003 1.00 1.00 H new ATOM 0 HG2 GLU A 79 73.153 14.024 42.068 1.00 1.00 H new ATOM 0 HG3 GLU A 79 73.656 14.571 40.481 1.00 1.00 H new ATOM 1273 N ASP A 80 72.576 18.413 43.436 1.00 1.00 N ATOM 1274 CA ASP A 80 72.597 19.765 43.915 1.00 1.00 C ATOM 1275 C ASP A 80 73.316 20.740 43.035 1.00 1.00 C ATOM 1276 O ASP A 80 73.031 21.937 43.072 1.00 1.00 O ATOM 1277 CB ASP A 80 72.882 19.866 45.425 1.00 1.00 C ATOM 1278 CG ASP A 80 74.186 19.211 45.847 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.397 18.007 45.541 1.00 1.00 O ATOM 1280 OD2 ASP A 80 74.992 19.876 46.550 1.00 1.00 O ATOM 0 H ASP A 80 73.021 17.759 44.080 1.00 1.00 H new ATOM 0 HA ASP A 80 71.571 20.121 43.822 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.905 20.917 45.712 1.00 1.00 H new ATOM 0 HB3 ASP A 80 72.060 19.404 45.972 1.00 1.00 H new ATOM 1285 N GLU A 81 74.289 20.257 42.244 1.00 1.00 N ATOM 1286 CA GLU A 81 74.936 21.006 41.204 1.00 1.00 C ATOM 1287 C GLU A 81 75.242 20.120 40.034 1.00 1.00 C ATOM 1288 O GLU A 81 76.311 19.519 39.938 1.00 1.00 O ATOM 1289 CB GLU A 81 76.142 21.807 41.730 1.00 1.00 C ATOM 1290 CG GLU A 81 76.960 20.982 42.729 1.00 1.00 C ATOM 1291 CD GLU A 81 78.244 21.642 43.197 1.00 1.00 C ATOM 1292 OE1 GLU A 81 79.133 21.972 42.368 1.00 1.00 O ATOM 1293 OE2 GLU A 81 78.426 21.830 44.429 1.00 1.00 O ATOM 0 H GLU A 81 74.643 19.304 42.330 1.00 1.00 H new ATOM 0 HA GLU A 81 74.247 21.767 40.837 1.00 1.00 H new ATOM 0 HB2 GLU A 81 76.776 22.106 40.895 1.00 1.00 H new ATOM 0 HB3 GLU A 81 75.794 22.722 42.209 1.00 1.00 H new ATOM 0 HG2 GLU A 81 76.339 20.770 43.599 1.00 1.00 H new ATOM 0 HG3 GLU A 81 77.206 20.023 42.272 1.00 1.00 H new ATOM 1300 N ASP A 82 74.285 19.969 39.095 1.00 1.00 N ATOM 1301 CA ASP A 82 74.448 19.182 37.904 1.00 1.00 C ATOM 1302 C ASP A 82 74.982 19.933 36.723 1.00 1.00 C ATOM 1303 O ASP A 82 75.078 21.160 36.718 1.00 1.00 O ATOM 1304 CB ASP A 82 73.183 18.403 37.483 1.00 1.00 C ATOM 1305 CG ASP A 82 73.596 16.951 37.336 1.00 1.00 C ATOM 1306 OD1 ASP A 82 74.166 16.550 36.287 1.00 1.00 O ATOM 1307 OD2 ASP A 82 73.449 16.181 38.321 1.00 1.00 O ATOM 0 H ASP A 82 73.367 20.409 39.166 1.00 1.00 H new ATOM 0 HA ASP A 82 75.208 18.463 38.210 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.397 18.508 38.231 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.785 18.789 36.545 1.00 1.00 H new ATOM 1312 N THR A 83 75.354 19.183 35.670 1.00 1.00 N ATOM 1313 CA THR A 83 75.981 19.690 34.481 1.00 1.00 C ATOM 1314 C THR A 83 75.364 19.058 33.273 1.00 1.00 C ATOM 1315 O THR A 83 75.338 17.836 33.134 1.00 1.00 O ATOM 1316 CB THR A 83 77.464 19.439 34.409 1.00 1.00 C ATOM 1317 OG1 THR A 83 78.092 19.779 35.637 1.00 1.00 O ATOM 1318 CG2 THR A 83 78.109 20.324 33.331 1.00 1.00 C ATOM 0 H THR A 83 75.212 18.173 35.643 1.00 1.00 H new ATOM 0 HA THR A 83 75.825 20.768 34.512 1.00 1.00 H new ATOM 0 HB THR A 83 77.597 18.381 34.182 1.00 1.00 H new ATOM 0 HG1 THR A 83 79.055 19.607 35.571 1.00 1.00 H new ATOM 0 HG21 THR A 83 79.181 20.129 33.293 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.665 20.098 32.361 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.940 21.373 33.572 1.00 1.00 H new ATOM 1326 N ILE A 84 74.832 19.868 32.343 1.00 1.00 N ATOM 1327 CA ILE A 84 74.114 19.458 31.169 1.00 1.00 C ATOM 1328 C ILE A 84 74.816 19.995 29.959 1.00 1.00 C ATOM 1329 O ILE A 84 75.322 21.116 29.978 1.00 1.00 O ATOM 1330 CB ILE A 84 72.669 19.888 31.217 1.00 1.00 C ATOM 1331 CG1 ILE A 84 71.941 19.378 32.478 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.913 19.454 29.950 1.00 1.00 C ATOM 1333 CD1 ILE A 84 71.850 17.857 32.620 1.00 1.00 C ATOM 0 H ILE A 84 74.907 20.883 32.414 1.00 1.00 H new ATOM 0 HA ILE A 84 74.102 18.369 31.120 1.00 1.00 H new ATOM 0 HB ILE A 84 72.676 20.977 31.263 1.00 1.00 H new ATOM 0 HG12 ILE A 84 72.450 19.777 33.356 1.00 1.00 H new ATOM 0 HG13 ILE A 84 70.930 19.786 32.482 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.875 19.779 30.016 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.380 19.906 29.075 1.00 1.00 H new ATOM 0 HG23 ILE A 84 71.948 18.368 29.859 1.00 1.00 H new ATOM 0 HD11 ILE A 84 71.320 17.608 33.539 1.00 1.00 H new ATOM 0 HD12 ILE A 84 71.311 17.444 31.767 1.00 1.00 H new ATOM 0 HD13 ILE A 84 72.854 17.434 32.654 1.00 1.00 H new ATOM 1345 N ASP A 85 74.913 19.230 28.855 1.00 1.00 N ATOM 1346 CA ASP A 85 75.709 19.589 27.716 1.00 1.00 C ATOM 1347 C ASP A 85 74.799 19.913 26.571 1.00 1.00 C ATOM 1348 O ASP A 85 73.759 19.284 26.388 1.00 1.00 O ATOM 1349 CB ASP A 85 76.565 18.385 27.270 1.00 1.00 C ATOM 1350 CG ASP A 85 77.783 18.166 28.149 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.649 19.081 28.193 1.00 1.00 O ATOM 1352 OD2 ASP A 85 77.937 17.062 28.737 1.00 1.00 O ATOM 0 H ASP A 85 74.427 18.340 28.750 1.00 1.00 H new ATOM 0 HA ASP A 85 76.340 20.435 27.986 1.00 1.00 H new ATOM 0 HB2 ASP A 85 75.950 17.485 27.280 1.00 1.00 H new ATOM 0 HB3 ASP A 85 76.889 18.538 26.241 1.00 1.00 H new ATOM 1357 N VAL A 86 75.135 20.931 25.756 1.00 1.00 N ATOM 1358 CA VAL A 86 74.333 21.367 24.645 1.00 1.00 C ATOM 1359 C VAL A 86 75.002 20.983 23.364 1.00 1.00 C ATOM 1360 O VAL A 86 76.220 21.098 23.230 1.00 1.00 O ATOM 1361 CB VAL A 86 74.139 22.861 24.590 1.00 1.00 C ATOM 1362 CG1 VAL A 86 73.081 23.271 23.549 1.00 1.00 C ATOM 1363 CG2 VAL A 86 73.705 23.387 25.967 1.00 1.00 C ATOM 0 H VAL A 86 75.993 21.471 25.871 1.00 1.00 H new ATOM 0 HA VAL A 86 73.362 20.890 24.778 1.00 1.00 H new ATOM 0 HB VAL A 86 75.095 23.296 24.298 1.00 1.00 H new ATOM 0 HG11 VAL A 86 72.976 24.356 23.545 1.00 1.00 H new ATOM 0 HG12 VAL A 86 73.393 22.933 22.561 1.00 1.00 H new ATOM 0 HG13 VAL A 86 72.124 22.814 23.803 1.00 1.00 H new ATOM 0 HG21 VAL A 86 73.567 24.467 25.917 1.00 1.00 H new ATOM 0 HG22 VAL A 86 72.767 22.915 26.258 1.00 1.00 H new ATOM 0 HG23 VAL A 86 74.473 23.153 26.704 1.00 1.00 H new ATOM 1373 N PHE A 87 74.233 20.522 22.361 1.00 1.00 N ATOM 1374 CA PHE A 87 74.719 20.374 21.019 1.00 1.00 C ATOM 1375 C PHE A 87 73.830 21.141 20.093 1.00 1.00 C ATOM 1376 O PHE A 87 72.605 21.145 20.213 1.00 1.00 O ATOM 1377 CB PHE A 87 74.824 18.892 20.612 1.00 1.00 C ATOM 1378 CG PHE A 87 75.984 18.609 19.712 1.00 1.00 C ATOM 1379 CD1 PHE A 87 75.939 18.900 18.359 1.00 1.00 C ATOM 1380 CD2 PHE A 87 77.128 18.027 20.231 1.00 1.00 C ATOM 1381 CE1 PHE A 87 77.015 18.616 17.538 1.00 1.00 C ATOM 1382 CE2 PHE A 87 78.207 17.735 19.417 1.00 1.00 C ATOM 1383 CZ PHE A 87 78.152 18.035 18.068 1.00 1.00 C ATOM 0 H PHE A 87 73.258 20.247 22.481 1.00 1.00 H new ATOM 0 HA PHE A 87 75.729 20.778 20.959 1.00 1.00 H new ATOM 0 HB2 PHE A 87 74.912 18.281 21.510 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.903 18.593 20.112 1.00 1.00 H new ATOM 0 HD1 PHE A 87 75.053 19.354 17.940 1.00 1.00 H new ATOM 0 HD2 PHE A 87 77.178 17.798 21.285 1.00 1.00 H new ATOM 0 HE1 PHE A 87 76.967 18.848 16.484 1.00 1.00 H new ATOM 0 HE2 PHE A 87 79.090 17.274 19.834 1.00 1.00 H new ATOM 0 HZ PHE A 87 78.995 17.816 17.430 1.00 1.00 H new ATOM 1393 N GLN A 88 74.448 21.851 19.134 1.00 1.00 N ATOM 1394 CA GLN A 88 73.780 22.740 18.227 1.00 1.00 C ATOM 1395 C GLN A 88 73.165 22.013 17.071 1.00 1.00 C ATOM 1396 O GLN A 88 73.792 21.156 16.449 1.00 1.00 O ATOM 1397 CB GLN A 88 74.734 23.814 17.669 1.00 1.00 C ATOM 1398 CG GLN A 88 75.436 24.684 18.720 1.00 1.00 C ATOM 1399 CD GLN A 88 74.478 25.475 19.604 1.00 1.00 C ATOM 1400 OE1 GLN A 88 74.474 25.334 20.827 1.00 1.00 O ATOM 1401 NE2 GLN A 88 73.672 26.372 18.980 1.00 1.00 N ATOM 0 H GLN A 88 75.456 21.806 18.981 1.00 1.00 H new ATOM 0 HA GLN A 88 72.994 23.216 18.813 1.00 1.00 H new ATOM 0 HB2 GLN A 88 75.495 23.320 17.064 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.169 24.465 17.002 1.00 1.00 H new ATOM 0 HG2 GLN A 88 76.055 24.046 19.351 1.00 1.00 H new ATOM 0 HG3 GLN A 88 76.106 25.379 18.214 1.00 1.00 H new ATOM 0 HE21 GLN A 88 73.701 26.463 17.964 1.00 1.00 H new ATOM 0 HE22 GLN A 88 73.038 26.955 19.527 1.00 1.00 H new ATOM 1410 N GLN A 89 71.898 22.329 16.742 1.00 1.00 N ATOM 1411 CA GLN A 89 71.120 21.666 15.735 1.00 1.00 C ATOM 1412 C GLN A 89 70.474 22.656 14.817 1.00 1.00 C ATOM 1413 O GLN A 89 70.552 23.866 15.024 1.00 1.00 O ATOM 1414 CB GLN A 89 70.005 20.808 16.362 1.00 1.00 C ATOM 1415 CG GLN A 89 70.483 19.759 17.372 1.00 1.00 C ATOM 1416 CD GLN A 89 71.529 18.825 16.782 1.00 1.00 C ATOM 1417 OE1 GLN A 89 71.451 18.400 15.629 1.00 1.00 O ATOM 1418 NE2 GLN A 89 72.545 18.471 17.608 1.00 1.00 N ATOM 0 H GLN A 89 71.389 23.085 17.201 1.00 1.00 H new ATOM 0 HA GLN A 89 71.809 21.030 15.179 1.00 1.00 H new ATOM 0 HB2 GLN A 89 69.294 21.469 16.857 1.00 1.00 H new ATOM 0 HB3 GLN A 89 69.465 20.301 15.563 1.00 1.00 H new ATOM 0 HG2 GLN A 89 70.899 20.262 18.245 1.00 1.00 H new ATOM 0 HG3 GLN A 89 69.630 19.174 17.717 1.00 1.00 H new ATOM 0 HE21 GLN A 89 72.582 18.840 18.558 1.00 1.00 H new ATOM 0 HE22 GLN A 89 73.272 17.836 17.279 1.00 1.00 H new ATOM 1481 N VAL B 966 72.165 32.058 38.779 1.00 1.00 N ATOM 1482 CA VAL B 966 71.566 33.043 37.919 1.00 1.00 C ATOM 1483 C VAL B 966 70.071 33.032 37.885 1.00 1.00 C ATOM 1484 O VAL B 966 69.414 34.061 38.039 1.00 1.00 O ATOM 1485 CB VAL B 966 72.176 33.123 36.540 1.00 1.00 C ATOM 1486 CG1 VAL B 966 73.123 31.974 36.160 1.00 1.00 C ATOM 1487 CG2 VAL B 966 71.153 33.074 35.395 1.00 1.00 C ATOM 0 HA VAL B 966 71.828 33.978 38.414 1.00 1.00 H new ATOM 0 HB VAL B 966 72.696 34.077 36.631 1.00 1.00 H new ATOM 0 HG11 VAL B 966 73.502 32.134 35.151 1.00 1.00 H new ATOM 0 HG12 VAL B 966 73.958 31.944 36.861 1.00 1.00 H new ATOM 0 HG13 VAL B 966 72.582 31.029 36.199 1.00 1.00 H new ATOM 0 HG21 VAL B 966 71.673 33.137 34.439 1.00 1.00 H new ATOM 0 HG22 VAL B 966 70.596 32.138 35.444 1.00 1.00 H new ATOM 0 HG23 VAL B 966 70.462 33.912 35.488 1.00 1.00 H new ATOM 1497 N ILE B 967 69.495 31.833 37.710 1.00 1.00 N ATOM 1498 CA ILE B 967 68.095 31.639 37.457 1.00 1.00 C ATOM 1499 C ILE B 967 67.468 31.000 38.656 1.00 1.00 C ATOM 1500 O ILE B 967 67.907 29.953 39.131 1.00 1.00 O ATOM 1501 CB ILE B 967 67.847 30.881 36.174 1.00 1.00 C ATOM 1502 CG1 ILE B 967 67.822 31.851 34.975 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.546 30.057 36.212 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.294 31.267 33.639 1.00 1.00 C ATOM 0 H ILE B 967 70.021 30.960 37.745 1.00 1.00 H new ATOM 0 HA ILE B 967 67.617 32.606 37.301 1.00 1.00 H new ATOM 0 HB ILE B 967 68.671 30.176 36.060 1.00 1.00 H new ATOM 0 HG12 ILE B 967 66.804 32.219 34.850 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.445 32.712 35.215 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.419 29.534 35.264 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.599 29.331 37.023 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.698 30.723 36.375 1.00 1.00 H new ATOM 0 HD11 ILE B 967 68.236 32.033 32.866 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.325 30.926 33.735 1.00 1.00 H new ATOM 0 HD13 ILE B 967 67.658 30.426 33.365 1.00 1.00 H new ATOM 1516 N ASP B 968 66.425 31.626 39.230 1.00 1.00 N ATOM 1517 CA ASP B 968 65.536 31.034 40.188 1.00 1.00 C ATOM 1518 C ASP B 968 64.264 30.666 39.485 1.00 1.00 C ATOM 1519 O ASP B 968 63.476 31.549 39.150 1.00 1.00 O ATOM 1520 CB ASP B 968 65.293 32.057 41.315 1.00 1.00 C ATOM 1521 CG ASP B 968 64.433 31.537 42.454 1.00 1.00 C ATOM 1522 OD1 ASP B 968 64.251 30.299 42.587 1.00 1.00 O ATOM 1523 OD2 ASP B 968 63.955 32.374 43.267 1.00 1.00 O ATOM 0 H ASP B 968 66.188 32.595 39.016 1.00 1.00 H new ATOM 0 HA ASP B 968 65.956 30.130 40.629 1.00 1.00 H new ATOM 0 HB2 ASP B 968 66.256 32.373 41.717 1.00 1.00 H new ATOM 0 HB3 ASP B 968 64.818 32.942 40.891 1.00 1.00 H new ATOM 1528 N LEU B 969 64.005 29.375 39.208 1.00 1.00 N ATOM 1529 CA LEU B 969 62.821 28.969 38.505 1.00 1.00 C ATOM 1530 C LEU B 969 61.825 28.279 39.385 1.00 1.00 C ATOM 1531 O LEU B 969 62.150 27.809 40.474 1.00 1.00 O ATOM 1532 CB LEU B 969 63.164 28.186 37.222 1.00 1.00 C ATOM 1533 CG LEU B 969 64.047 26.945 37.428 1.00 1.00 C ATOM 1534 CD1 LEU B 969 63.265 25.781 38.053 1.00 1.00 C ATOM 1535 CD2 LEU B 969 64.747 26.481 36.142 1.00 1.00 C ATOM 0 H LEU B 969 64.619 28.605 39.472 1.00 1.00 H new ATOM 0 HA LEU B 969 62.315 29.878 38.180 1.00 1.00 H new ATOM 0 HB2 LEU B 969 62.234 27.875 36.746 1.00 1.00 H new ATOM 0 HB3 LEU B 969 63.668 28.859 36.529 1.00 1.00 H new ATOM 0 HG LEU B 969 64.824 27.258 38.126 1.00 1.00 H new ATOM 0 HD11 LEU B 969 63.927 24.925 38.181 1.00 1.00 H new ATOM 0 HD12 LEU B 969 62.874 26.085 39.024 1.00 1.00 H new ATOM 0 HD13 LEU B 969 62.438 25.505 37.399 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.355 25.602 36.355 1.00 1.00 H new ATOM 0 HD22 LEU B 969 63.998 26.231 35.390 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.386 27.281 35.767 1.00 1.00 H new