USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=10 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= 0.479 K(o=-0.83,f=-2.5) USER MOD Set 1.2: A 31 GLN : amide:sc= -1.3 K(o=-0.83,f=0.11) USER MOD Single : A 17 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.31) 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 -177:sc= 0 (180deg=-0.00627) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 CYS SG : rot 72:sc= 0.615 USER MOD Single : A 51 GLN : amide:sc= -0.263 X(o=-0.26,f=-0.17) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0404 K(o=-0.04,f=-0.67) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.555 USER MOD Single : A 75 GLN : amide:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 78 MET CE :methyl 161:sc= -0.371 (180deg=-1.06) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.343 X(o=-0.34,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 64.463 21.529 46.028 1.00 1.00 N ATOM 245 CA HIS A 17 65.193 22.383 45.139 1.00 1.00 C ATOM 246 C HIS A 17 66.663 22.079 45.124 1.00 1.00 C ATOM 247 O HIS A 17 67.299 21.903 46.163 1.00 1.00 O ATOM 248 CB HIS A 17 64.967 23.885 45.406 1.00 1.00 C ATOM 249 CG HIS A 17 63.540 24.331 45.578 1.00 1.00 C ATOM 250 ND1 HIS A 17 63.172 25.627 45.329 1.00 1.00 N ATOM 251 CD2 HIS A 17 62.421 23.705 46.030 1.00 1.00 C ATOM 252 CE1 HIS A 17 61.887 25.783 45.590 1.00 1.00 C ATOM 253 NE2 HIS A 17 61.406 24.627 46.009 1.00 1.00 N ATOM 0 HA HIS A 17 64.786 22.162 44.152 1.00 1.00 H new ATOM 0 HB2 HIS A 17 65.520 24.158 46.305 1.00 1.00 H new ATOM 0 HB3 HIS A 17 65.403 24.447 44.580 1.00 1.00 H new ATOM 0 HD2 HIS A 17 62.346 22.675 46.346 1.00 1.00 H new ATOM 0 HE1 HIS A 17 61.326 26.699 45.480 1.00 1.00 H new ATOM 0 HE2 HIS A 17 60.437 24.449 46.274 1.00 1.00 H new ATOM 262 N ILE A 18 67.237 21.991 43.911 1.00 1.00 N ATOM 263 CA ILE A 18 68.566 21.620 43.517 1.00 1.00 C ATOM 264 C ILE A 18 68.927 22.496 42.356 1.00 1.00 C ATOM 265 O ILE A 18 68.060 23.114 41.742 1.00 1.00 O ATOM 266 CB ILE A 18 68.705 20.172 43.121 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.664 19.722 42.078 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.607 19.315 44.396 1.00 1.00 C ATOM 269 CD1 ILE A 18 67.981 18.343 41.496 1.00 1.00 C ATOM 0 H ILE A 18 66.682 22.215 43.085 1.00 1.00 H new ATOM 0 HA ILE A 18 69.230 21.751 44.371 1.00 1.00 H new ATOM 0 HB ILE A 18 69.674 20.042 42.639 1.00 1.00 H new ATOM 0 HG12 ILE A 18 66.677 19.700 42.540 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.623 20.453 41.271 1.00 1.00 H new ATOM 0 HG21 ILE A 18 68.705 18.261 44.135 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.405 19.594 45.084 1.00 1.00 H new ATOM 0 HG23 ILE A 18 67.641 19.482 44.873 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.218 18.072 40.766 1.00 1.00 H new ATOM 0 HD12 ILE A 18 68.956 18.369 41.009 1.00 1.00 H new ATOM 0 HD13 ILE A 18 67.995 17.604 42.297 1.00 1.00 H new ATOM 281 N ASN A 19 70.214 22.669 42.008 1.00 1.00 N ATOM 282 CA ASN A 19 70.637 23.538 40.946 1.00 1.00 C ATOM 283 C ASN A 19 71.286 22.751 39.849 1.00 1.00 C ATOM 284 O ASN A 19 71.968 21.754 40.076 1.00 1.00 O ATOM 285 CB ASN A 19 71.615 24.664 41.338 1.00 1.00 C ATOM 286 CG ASN A 19 71.357 25.342 42.677 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.943 26.500 42.731 1.00 1.00 O ATOM 288 ND2 ASN A 19 71.703 24.639 43.786 1.00 1.00 N ATOM 0 H ASN A 19 70.985 22.193 42.476 1.00 1.00 H new ATOM 0 HA ASN A 19 69.710 24.018 40.632 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.624 24.252 41.351 1.00 1.00 H new ATOM 0 HB3 ASN A 19 71.591 25.425 40.558 1.00 1.00 H new ATOM 0 HD21 ASN A 19 71.624 25.069 44.708 1.00 1.00 H new ATOM 0 HD22 ASN A 19 72.042 23.681 43.697 1.00 1.00 H new ATOM 295 N LEU A 20 71.107 23.152 38.579 1.00 1.00 N ATOM 296 CA LEU A 20 71.803 22.533 37.489 1.00 1.00 C ATOM 297 C LEU A 20 72.358 23.652 36.662 1.00 1.00 C ATOM 298 O LEU A 20 71.870 24.778 36.736 1.00 1.00 O ATOM 299 CB LEU A 20 70.905 21.567 36.689 1.00 1.00 C ATOM 300 CG LEU A 20 70.012 22.143 35.574 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.345 20.999 34.793 1.00 1.00 C ATOM 302 CD2 LEU A 20 68.908 23.105 36.043 1.00 1.00 C ATOM 0 H LEU A 20 70.479 23.907 38.303 1.00 1.00 H new ATOM 0 HA LEU A 20 72.610 21.894 37.848 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.549 20.811 36.240 1.00 1.00 H new ATOM 0 HB3 LEU A 20 70.258 21.052 37.399 1.00 1.00 H new ATOM 0 HG LEU A 20 70.692 22.728 34.955 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.715 21.414 34.006 1.00 1.00 H new ATOM 0 HD12 LEU A 20 70.113 20.367 34.347 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.733 20.404 35.471 1.00 1.00 H new ATOM 0 HD21 LEU A 20 68.338 23.452 35.181 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.243 22.586 36.733 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.360 23.959 36.547 1.00 1.00 H new ATOM 314 N LYS A 21 73.413 23.428 35.860 1.00 1.00 N ATOM 315 CA LYS A 21 73.891 24.324 34.850 1.00 1.00 C ATOM 316 C LYS A 21 73.895 23.652 33.515 1.00 1.00 C ATOM 317 O LYS A 21 74.041 22.436 33.397 1.00 1.00 O ATOM 318 CB LYS A 21 75.286 24.891 35.181 1.00 1.00 C ATOM 319 CG LYS A 21 76.456 23.931 34.936 1.00 1.00 C ATOM 320 CD LYS A 21 77.762 24.358 35.613 1.00 1.00 C ATOM 321 CE LYS A 21 77.789 24.018 37.105 1.00 1.00 C ATOM 322 NZ LYS A 21 79.078 24.423 37.702 1.00 1.00 N ATOM 0 H LYS A 21 73.965 22.572 35.919 1.00 1.00 H new ATOM 0 HA LYS A 21 73.205 25.170 34.818 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.445 25.791 34.587 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.298 25.194 36.228 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.180 22.939 35.294 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.625 23.847 33.863 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.601 23.869 35.117 1.00 1.00 H new ATOM 0 HD3 LYS A 21 77.899 25.432 35.486 1.00 1.00 H new ATOM 0 HE2 LYS A 21 76.970 24.525 37.615 1.00 1.00 H new ATOM 0 HE3 LYS A 21 77.637 22.948 37.243 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 79.081 24.186 38.715 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 79.854 23.920 37.226 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 79.207 25.448 37.586 1.00 1.00 H new ATOM 336 N VAL A 22 73.704 24.447 32.448 1.00 1.00 N ATOM 337 CA VAL A 22 73.691 23.983 31.092 1.00 1.00 C ATOM 338 C VAL A 22 74.783 24.709 30.375 1.00 1.00 C ATOM 339 O VAL A 22 74.846 25.937 30.420 1.00 1.00 O ATOM 340 CB VAL A 22 72.360 24.229 30.434 1.00 1.00 C ATOM 341 CG1 VAL A 22 72.427 24.073 28.908 1.00 1.00 C ATOM 342 CG2 VAL A 22 71.341 23.195 30.942 1.00 1.00 C ATOM 0 H VAL A 22 73.553 25.452 32.531 1.00 1.00 H new ATOM 0 HA VAL A 22 73.851 22.905 31.060 1.00 1.00 H new ATOM 0 HB VAL A 22 72.071 25.251 30.681 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.442 24.260 28.480 1.00 1.00 H new ATOM 0 HG12 VAL A 22 73.142 24.787 28.500 1.00 1.00 H new ATOM 0 HG13 VAL A 22 72.744 23.060 28.659 1.00 1.00 H new ATOM 0 HG21 VAL A 22 70.376 23.371 30.467 1.00 1.00 H new ATOM 0 HG22 VAL A 22 71.688 22.191 30.697 1.00 1.00 H new ATOM 0 HG23 VAL A 22 71.236 23.289 32.023 1.00 1.00 H new ATOM 352 N ALA A 23 75.691 23.962 29.721 1.00 1.00 N ATOM 353 CA ALA A 23 76.839 24.500 29.051 1.00 1.00 C ATOM 354 C ALA A 23 76.865 24.138 27.599 1.00 1.00 C ATOM 355 O ALA A 23 76.721 22.983 27.195 1.00 1.00 O ATOM 356 CB ALA A 23 78.123 23.990 29.729 1.00 1.00 C ATOM 0 H ALA A 23 75.625 22.946 29.655 1.00 1.00 H new ATOM 0 HA ALA A 23 76.780 25.586 29.122 1.00 1.00 H new ATOM 0 HB1 ALA A 23 78.993 24.401 29.217 1.00 1.00 H new ATOM 0 HB2 ALA A 23 78.134 24.305 30.772 1.00 1.00 H new ATOM 0 HB3 ALA A 23 78.153 22.902 29.679 1.00 1.00 H new ATOM 362 N GLY A 24 77.068 25.145 26.730 1.00 1.00 N ATOM 363 CA GLY A 24 77.151 24.976 25.309 1.00 1.00 C ATOM 364 C GLY A 24 78.445 24.428 24.811 1.00 1.00 C ATOM 365 O GLY A 24 79.413 24.212 25.539 1.00 1.00 O ATOM 0 H GLY A 24 77.179 26.115 27.027 1.00 1.00 H new ATOM 0 HA2 GLY A 24 76.347 24.313 24.990 1.00 1.00 H new ATOM 0 HA3 GLY A 24 76.976 25.941 24.833 1.00 1.00 H new ATOM 416 N VAL A 29 77.641 29.227 29.539 1.00 1.00 N ATOM 417 CA VAL A 29 77.001 28.479 30.585 1.00 1.00 C ATOM 418 C VAL A 29 76.068 29.314 31.408 1.00 1.00 C ATOM 419 O VAL A 29 76.402 30.426 31.816 1.00 1.00 O ATOM 420 CB VAL A 29 78.029 27.765 31.427 1.00 1.00 C ATOM 421 CG1 VAL A 29 79.044 28.733 32.064 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.394 26.871 32.507 1.00 1.00 C ATOM 0 HA VAL A 29 76.372 27.725 30.112 1.00 1.00 H new ATOM 0 HB VAL A 29 78.569 27.118 30.735 1.00 1.00 H new ATOM 0 HG11 VAL A 29 79.761 28.168 32.659 1.00 1.00 H new ATOM 0 HG12 VAL A 29 79.571 29.276 31.279 1.00 1.00 H new ATOM 0 HG13 VAL A 29 78.519 29.441 32.705 1.00 1.00 H new ATOM 0 HG21 VAL A 29 78.180 26.382 33.083 1.00 1.00 H new ATOM 0 HG22 VAL A 29 76.784 27.482 33.172 1.00 1.00 H new ATOM 0 HG23 VAL A 29 76.768 26.115 32.032 1.00 1.00 H new ATOM 432 N VAL A 30 74.844 28.820 31.687 1.00 1.00 N ATOM 433 CA VAL A 30 73.929 29.413 32.624 1.00 1.00 C ATOM 434 C VAL A 30 73.436 28.379 33.590 1.00 1.00 C ATOM 435 O VAL A 30 73.204 27.229 33.216 1.00 1.00 O ATOM 436 CB VAL A 30 72.840 30.249 31.994 1.00 1.00 C ATOM 437 CG1 VAL A 30 71.525 29.534 31.641 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.409 31.383 32.936 1.00 1.00 C ATOM 0 H VAL A 30 74.477 27.977 31.245 1.00 1.00 H new ATOM 0 HA VAL A 30 74.487 30.154 33.196 1.00 1.00 H new ATOM 0 HB VAL A 30 73.319 30.572 31.070 1.00 1.00 H new ATOM 0 HG11 VAL A 30 70.831 30.247 31.197 1.00 1.00 H new ATOM 0 HG12 VAL A 30 71.726 28.733 30.930 1.00 1.00 H new ATOM 0 HG13 VAL A 30 71.085 29.115 32.546 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.624 31.972 32.461 1.00 1.00 H new ATOM 0 HG22 VAL A 30 72.032 30.959 33.867 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.265 32.024 33.149 1.00 1.00 H new ATOM 448 N GLN A 31 73.322 28.712 34.890 1.00 1.00 N ATOM 449 CA GLN A 31 72.755 27.846 35.887 1.00 1.00 C ATOM 450 C GLN A 31 71.372 28.250 36.282 1.00 1.00 C ATOM 451 O GLN A 31 70.924 29.384 36.116 1.00 1.00 O ATOM 452 CB GLN A 31 73.649 27.652 37.127 1.00 1.00 C ATOM 453 CG GLN A 31 73.729 28.752 38.199 1.00 1.00 C ATOM 454 CD GLN A 31 72.497 28.999 39.067 1.00 1.00 C ATOM 455 OE1 GLN A 31 72.055 30.131 39.262 1.00 1.00 O ATOM 456 NE2 GLN A 31 71.915 27.914 39.639 1.00 1.00 N ATOM 0 H GLN A 31 73.633 29.610 35.261 1.00 1.00 H new ATOM 0 HA GLN A 31 72.691 26.874 35.398 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.320 26.739 37.624 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.663 27.473 36.770 1.00 1.00 H new ATOM 0 HG2 GLN A 31 74.561 28.513 38.861 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.978 29.688 37.699 1.00 1.00 H new ATOM 0 HE21 GLN A 31 72.293 26.982 39.467 1.00 1.00 H new ATOM 0 HE22 GLN A 31 71.099 28.030 40.240 1.00 1.00 H new ATOM 465 N PHE A 32 70.638 27.272 36.836 1.00 1.00 N ATOM 466 CA PHE A 32 69.251 27.389 37.163 1.00 1.00 C ATOM 467 C PHE A 32 69.000 26.604 38.413 1.00 1.00 C ATOM 468 O PHE A 32 69.713 25.644 38.700 1.00 1.00 O ATOM 469 CB PHE A 32 68.338 26.881 36.029 1.00 1.00 C ATOM 470 CG PHE A 32 68.909 26.874 34.649 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.868 25.945 34.288 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.402 27.711 33.673 1.00 1.00 C ATOM 473 CE1 PHE A 32 70.355 25.889 32.998 1.00 1.00 C ATOM 474 CE2 PHE A 32 68.872 27.649 32.376 1.00 1.00 C ATOM 475 CZ PHE A 32 69.847 26.733 32.030 1.00 1.00 C ATOM 0 H PHE A 32 71.028 26.358 37.067 1.00 1.00 H new ATOM 0 HA PHE A 32 69.014 28.443 37.309 1.00 1.00 H new ATOM 0 HB2 PHE A 32 68.029 25.864 36.273 1.00 1.00 H new ATOM 0 HB3 PHE A 32 67.437 27.494 36.019 1.00 1.00 H new ATOM 0 HD1 PHE A 32 70.242 25.252 35.028 1.00 1.00 H new ATOM 0 HD2 PHE A 32 67.630 28.422 33.928 1.00 1.00 H new ATOM 0 HE1 PHE A 32 71.134 25.185 32.745 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.476 28.320 31.628 1.00 1.00 H new ATOM 0 HZ PHE A 32 70.208 26.678 31.014 1.00 1.00 H new ATOM 485 N LYS A 33 67.989 26.977 39.218 1.00 1.00 N ATOM 486 CA LYS A 33 67.665 26.374 40.479 1.00 1.00 C ATOM 487 C LYS A 33 66.237 25.942 40.396 1.00 1.00 C ATOM 488 O LYS A 33 65.337 26.756 40.183 1.00 1.00 O ATOM 489 CB LYS A 33 67.876 27.284 41.705 1.00 1.00 C ATOM 490 CG LYS A 33 67.517 26.580 43.020 1.00 1.00 C ATOM 491 CD LYS A 33 68.104 27.194 44.296 1.00 1.00 C ATOM 492 CE LYS A 33 67.846 28.691 44.475 1.00 1.00 C ATOM 493 NZ LYS A 33 68.232 29.100 45.843 1.00 1.00 N ATOM 0 H LYS A 33 67.360 27.743 38.977 1.00 1.00 H new ATOM 0 HA LYS A 33 68.350 25.541 40.639 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.916 27.607 41.740 1.00 1.00 H new ATOM 0 HB3 LYS A 33 67.267 28.182 41.598 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.431 26.564 43.115 1.00 1.00 H new ATOM 0 HG3 LYS A 33 67.847 25.543 42.955 1.00 1.00 H new ATOM 0 HD2 LYS A 33 67.694 26.665 45.157 1.00 1.00 H new ATOM 0 HD3 LYS A 33 69.181 27.024 44.300 1.00 1.00 H new ATOM 0 HE2 LYS A 33 68.416 29.259 43.740 1.00 1.00 H new ATOM 0 HE3 LYS A 33 66.793 28.912 44.302 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 68.056 30.118 45.964 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 67.669 28.567 46.536 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 69.242 28.903 45.992 1.00 1.00 H new ATOM 507 N ILE A 34 66.049 24.617 40.529 1.00 1.00 N ATOM 508 CA ILE A 34 64.966 23.821 40.034 1.00 1.00 C ATOM 509 C ILE A 34 64.627 22.727 40.984 1.00 1.00 C ATOM 510 O ILE A 34 65.382 22.297 41.853 1.00 1.00 O ATOM 511 CB ILE A 34 65.186 23.240 38.662 1.00 1.00 C ATOM 512 CG1 ILE A 34 64.076 22.397 38.000 1.00 1.00 C ATOM 513 CG2 ILE A 34 66.534 22.498 38.644 1.00 1.00 C ATOM 514 CD1 ILE A 34 64.188 22.303 36.478 1.00 1.00 C ATOM 0 H ILE A 34 66.726 24.046 41.035 1.00 1.00 H new ATOM 0 HA ILE A 34 64.133 24.519 39.944 1.00 1.00 H new ATOM 0 HB ILE A 34 65.172 24.120 38.018 1.00 1.00 H new ATOM 0 HG12 ILE A 34 64.100 21.391 38.418 1.00 1.00 H new ATOM 0 HG13 ILE A 34 63.107 22.825 38.257 1.00 1.00 H new ATOM 0 HG21 ILE A 34 66.702 22.074 37.654 1.00 1.00 H new ATOM 0 HG22 ILE A 34 67.337 23.196 38.881 1.00 1.00 H new ATOM 0 HG23 ILE A 34 66.519 21.698 39.384 1.00 1.00 H new ATOM 0 HD11 ILE A 34 63.371 21.694 36.090 1.00 1.00 H new ATOM 0 HD12 ILE A 34 64.132 23.302 36.047 1.00 1.00 H new ATOM 0 HD13 ILE A 34 65.141 21.845 36.211 1.00 1.00 H new ATOM 526 N LYS A 35 63.357 22.325 40.855 1.00 1.00 N ATOM 527 CA LYS A 35 62.755 21.319 41.678 1.00 1.00 C ATOM 528 C LYS A 35 62.660 20.004 40.979 1.00 1.00 C ATOM 529 O LYS A 35 62.739 19.889 39.757 1.00 1.00 O ATOM 530 CB LYS A 35 61.408 21.778 42.257 1.00 1.00 C ATOM 531 CG LYS A 35 61.607 23.101 43.001 1.00 1.00 C ATOM 532 CD LYS A 35 61.150 24.329 42.209 1.00 1.00 C ATOM 533 CE LYS A 35 59.628 24.409 42.331 1.00 1.00 C ATOM 534 NZ LYS A 35 59.135 25.712 41.845 1.00 1.00 N ATOM 0 H LYS A 35 62.722 22.710 40.155 1.00 1.00 H new ATOM 0 HA LYS A 35 63.419 21.166 42.529 1.00 1.00 H new ATOM 0 HB2 LYS A 35 60.678 21.903 41.457 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.013 21.021 42.935 1.00 1.00 H new ATOM 0 HG2 LYS A 35 61.060 23.063 43.943 1.00 1.00 H new ATOM 0 HG3 LYS A 35 62.662 23.212 43.249 1.00 1.00 H new ATOM 0 HD2 LYS A 35 61.615 25.234 42.601 1.00 1.00 H new ATOM 0 HD3 LYS A 35 61.448 24.245 41.164 1.00 1.00 H new ATOM 0 HE2 LYS A 35 59.169 23.604 41.757 1.00 1.00 H new ATOM 0 HE3 LYS A 35 59.333 24.268 43.371 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 58.100 25.747 41.936 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 59.558 26.476 42.410 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 59.399 25.833 40.846 1.00 1.00 H new ATOM 548 N ARG A 36 62.571 18.934 41.786 1.00 1.00 N ATOM 549 CA ARG A 36 62.927 17.614 41.351 1.00 1.00 C ATOM 550 C ARG A 36 62.018 16.995 40.333 1.00 1.00 C ATOM 551 O ARG A 36 62.470 16.347 39.390 1.00 1.00 O ATOM 552 CB ARG A 36 63.168 16.696 42.565 1.00 1.00 C ATOM 553 CG ARG A 36 63.975 15.439 42.222 1.00 1.00 C ATOM 554 CD ARG A 36 64.535 14.706 43.443 1.00 1.00 C ATOM 555 NE ARG A 36 65.389 13.600 42.921 1.00 1.00 N ATOM 556 CZ ARG A 36 65.030 12.292 42.873 1.00 1.00 C ATOM 557 NH1 ARG A 36 63.785 11.859 43.185 1.00 1.00 N ATOM 558 NH2 ARG A 36 65.954 11.383 42.475 1.00 1.00 N ATOM 0 H ARG A 36 62.249 18.981 42.753 1.00 1.00 H new ATOM 0 HA ARG A 36 63.860 17.733 40.801 1.00 1.00 H new ATOM 0 HB2 ARG A 36 63.693 17.257 43.338 1.00 1.00 H new ATOM 0 HB3 ARG A 36 62.207 16.399 42.984 1.00 1.00 H new ATOM 0 HG2 ARG A 36 63.340 14.754 41.660 1.00 1.00 H new ATOM 0 HG3 ARG A 36 64.801 15.717 41.568 1.00 1.00 H new ATOM 0 HD2 ARG A 36 65.117 15.383 44.068 1.00 1.00 H new ATOM 0 HD3 ARG A 36 63.729 14.314 44.063 1.00 1.00 H new ATOM 0 HE ARG A 36 66.316 13.846 42.573 1.00 1.00 H new ATOM 0 HH11 ARG A 36 63.069 12.527 43.471 1.00 1.00 H new ATOM 0 HH12 ARG A 36 63.563 10.865 43.134 1.00 1.00 H new ATOM 0 HH21 ARG A 36 66.893 11.689 42.220 1.00 1.00 H new ATOM 0 HH22 ARG A 36 65.710 10.394 42.430 1.00 1.00 H new ATOM 572 N HIS A 37 60.696 17.218 40.448 1.00 1.00 N ATOM 573 CA HIS A 37 59.736 16.743 39.493 1.00 1.00 C ATOM 574 C HIS A 37 59.582 17.616 38.286 1.00 1.00 C ATOM 575 O HIS A 37 59.013 17.189 37.282 1.00 1.00 O ATOM 576 CB HIS A 37 58.352 16.545 40.143 1.00 1.00 C ATOM 577 CG HIS A 37 57.586 17.793 40.480 1.00 1.00 C ATOM 578 ND1 HIS A 37 57.117 18.072 41.736 1.00 1.00 N ATOM 579 CD2 HIS A 37 57.137 18.787 39.671 1.00 1.00 C ATOM 580 CE1 HIS A 37 56.415 19.191 41.700 1.00 1.00 C ATOM 581 NE2 HIS A 37 56.425 19.648 40.462 1.00 1.00 N ATOM 0 H HIS A 37 60.283 17.740 41.221 1.00 1.00 H new ATOM 0 HA HIS A 37 60.138 15.789 39.152 1.00 1.00 H new ATOM 0 HB2 HIS A 37 57.742 15.941 39.471 1.00 1.00 H new ATOM 0 HB3 HIS A 37 58.484 15.968 41.058 1.00 1.00 H new ATOM 0 HD2 HIS A 37 57.309 18.880 38.609 1.00 1.00 H new ATOM 0 HE1 HIS A 37 55.918 19.653 42.540 1.00 1.00 H new ATOM 0 HE2 HIS A 37 55.974 20.506 40.145 1.00 1.00 H new ATOM 590 N THR A 38 60.026 18.886 38.344 1.00 1.00 N ATOM 591 CA THR A 38 59.873 19.872 37.308 1.00 1.00 C ATOM 592 C THR A 38 60.558 19.468 36.038 1.00 1.00 C ATOM 593 O THR A 38 61.718 19.067 36.125 1.00 1.00 O ATOM 594 CB THR A 38 60.444 21.206 37.716 1.00 1.00 C ATOM 595 OG1 THR A 38 59.922 21.651 38.960 1.00 1.00 O ATOM 596 CG2 THR A 38 60.160 22.331 36.707 1.00 1.00 C ATOM 0 H THR A 38 60.520 19.248 39.159 1.00 1.00 H new ATOM 0 HA THR A 38 58.798 19.952 37.144 1.00 1.00 H new ATOM 0 HB THR A 38 61.517 21.022 37.775 1.00 1.00 H new ATOM 0 HG1 THR A 38 60.318 22.518 39.190 1.00 1.00 H new ATOM 0 HG21 THR A 38 60.600 23.261 37.066 1.00 1.00 H new ATOM 0 HG22 THR A 38 60.595 22.072 35.742 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.083 22.458 36.597 1.00 1.00 H new ATOM 604 N PRO A 39 60.015 19.511 34.849 1.00 1.00 N ATOM 605 CA PRO A 39 60.720 19.085 33.667 1.00 1.00 C ATOM 606 C PRO A 39 61.892 19.936 33.291 1.00 1.00 C ATOM 607 O PRO A 39 61.978 21.116 33.633 1.00 1.00 O ATOM 608 CB PRO A 39 59.660 19.091 32.565 1.00 1.00 C ATOM 609 CG PRO A 39 58.630 20.122 33.045 1.00 1.00 C ATOM 610 CD PRO A 39 58.638 19.892 34.562 1.00 1.00 C ATOM 0 HA PRO A 39 61.170 18.107 33.838 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.087 19.372 31.602 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.210 18.106 32.439 1.00 1.00 H new ATOM 0 HG2 PRO A 39 58.919 21.140 32.784 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.645 19.949 32.611 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.351 20.793 35.105 1.00 1.00 H new ATOM 0 HD3 PRO A 39 57.938 19.109 34.851 1.00 1.00 H new ATOM 618 N LEU A 40 62.834 19.350 32.530 1.00 1.00 N ATOM 619 CA LEU A 40 63.991 20.012 31.999 1.00 1.00 C ATOM 620 C LEU A 40 63.686 21.133 31.057 1.00 1.00 C ATOM 621 O LEU A 40 64.452 22.081 30.892 1.00 1.00 O ATOM 622 CB LEU A 40 65.166 19.100 31.608 1.00 1.00 C ATOM 623 CG LEU A 40 65.014 18.296 30.310 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.515 19.049 29.068 1.00 1.00 C ATOM 625 CD2 LEU A 40 65.793 16.984 30.497 1.00 1.00 C ATOM 0 H LEU A 40 62.788 18.365 32.271 1.00 1.00 H new ATOM 0 HA LEU A 40 64.406 20.526 32.866 1.00 1.00 H new ATOM 0 HB2 LEU A 40 66.061 19.716 31.523 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.338 18.398 32.424 1.00 1.00 H new ATOM 0 HG LEU A 40 63.955 18.113 30.129 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.379 18.425 28.185 1.00 1.00 H new ATOM 0 HD12 LEU A 40 64.949 19.973 28.950 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.573 19.284 29.187 1.00 1.00 H new ATOM 0 HD21 LEU A 40 65.711 16.380 29.593 1.00 1.00 H new ATOM 0 HD22 LEU A 40 66.842 17.208 30.689 1.00 1.00 H new ATOM 0 HD23 LEU A 40 65.379 16.432 31.341 1.00 1.00 H new ATOM 637 N SER A 41 62.516 21.097 30.397 1.00 1.00 N ATOM 638 CA SER A 41 62.009 22.179 29.603 1.00 1.00 C ATOM 639 C SER A 41 61.953 23.503 30.303 1.00 1.00 C ATOM 640 O SER A 41 62.078 24.538 29.649 1.00 1.00 O ATOM 641 CB SER A 41 60.622 21.863 29.009 1.00 1.00 C ATOM 642 OG SER A 41 59.658 21.573 30.013 1.00 1.00 O ATOM 0 H SER A 41 61.898 20.286 30.415 1.00 1.00 H new ATOM 0 HA SER A 41 62.744 22.274 28.803 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.281 22.712 28.416 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.704 21.013 28.331 1.00 1.00 H new ATOM 0 HG SER A 41 58.794 21.381 29.592 1.00 1.00 H new ATOM 648 N LYS A 42 61.783 23.572 31.640 1.00 1.00 N ATOM 649 CA LYS A 42 61.638 24.842 32.293 1.00 1.00 C ATOM 650 C LYS A 42 62.927 25.598 32.314 1.00 1.00 C ATOM 651 O LYS A 42 63.000 26.785 31.999 1.00 1.00 O ATOM 652 CB LYS A 42 61.134 24.704 33.742 1.00 1.00 C ATOM 653 CG LYS A 42 60.907 26.009 34.518 1.00 1.00 C ATOM 654 CD LYS A 42 59.795 26.929 33.997 1.00 1.00 C ATOM 655 CE LYS A 42 60.223 28.017 33.005 1.00 1.00 C ATOM 656 NZ LYS A 42 59.059 28.776 32.502 1.00 1.00 N ATOM 0 H LYS A 42 61.746 22.763 32.260 1.00 1.00 H new ATOM 0 HA LYS A 42 60.896 25.388 31.710 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.195 24.150 33.725 1.00 1.00 H new ATOM 0 HB3 LYS A 42 61.851 24.099 34.296 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.683 25.756 35.554 1.00 1.00 H new ATOM 0 HG3 LYS A 42 61.841 26.571 34.522 1.00 1.00 H new ATOM 0 HD2 LYS A 42 59.035 26.311 33.520 1.00 1.00 H new ATOM 0 HD3 LYS A 42 59.322 27.412 34.852 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.922 28.699 33.490 1.00 1.00 H new ATOM 0 HE3 LYS A 42 60.751 27.561 32.168 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 59.382 29.504 31.833 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 58.405 28.128 32.019 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 58.570 29.231 33.299 1.00 1.00 H new ATOM 670 N LEU A 43 64.031 24.900 32.639 1.00 1.00 N ATOM 671 CA LEU A 43 65.334 25.495 32.595 1.00 1.00 C ATOM 672 C LEU A 43 65.752 25.826 31.194 1.00 1.00 C ATOM 673 O LEU A 43 66.377 26.853 30.939 1.00 1.00 O ATOM 674 CB LEU A 43 66.400 24.659 33.327 1.00 1.00 C ATOM 675 CG LEU A 43 66.737 23.290 32.714 1.00 1.00 C ATOM 676 CD1 LEU A 43 68.195 23.205 32.238 1.00 1.00 C ATOM 677 CD2 LEU A 43 66.308 22.132 33.629 1.00 1.00 C ATOM 0 H LEU A 43 64.022 23.923 32.932 1.00 1.00 H new ATOM 0 HA LEU A 43 65.255 26.435 33.141 1.00 1.00 H new ATOM 0 HB2 LEU A 43 67.318 25.245 33.378 1.00 1.00 H new ATOM 0 HB3 LEU A 43 66.065 24.501 34.352 1.00 1.00 H new ATOM 0 HG LEU A 43 66.140 23.182 31.808 1.00 1.00 H new ATOM 0 HD11 LEU A 43 68.382 22.219 31.813 1.00 1.00 H new ATOM 0 HD12 LEU A 43 68.375 23.967 31.480 1.00 1.00 H new ATOM 0 HD13 LEU A 43 68.864 23.369 33.083 1.00 1.00 H new ATOM 0 HD21 LEU A 43 66.564 21.183 33.159 1.00 1.00 H new ATOM 0 HD22 LEU A 43 66.824 22.214 34.586 1.00 1.00 H new ATOM 0 HD23 LEU A 43 65.231 22.177 33.792 1.00 1.00 H new ATOM 689 N MET A 44 65.382 25.002 30.194 1.00 1.00 N ATOM 690 CA MET A 44 65.652 25.237 28.804 1.00 1.00 C ATOM 691 C MET A 44 65.026 26.483 28.262 1.00 1.00 C ATOM 692 O MET A 44 65.648 27.254 27.532 1.00 1.00 O ATOM 693 CB MET A 44 65.196 24.030 27.959 1.00 1.00 C ATOM 694 CG MET A 44 65.514 24.111 26.460 1.00 1.00 C ATOM 695 SD MET A 44 64.801 22.758 25.477 1.00 1.00 S ATOM 696 CE MET A 44 66.021 21.480 25.897 1.00 1.00 C ATOM 0 H MET A 44 64.873 24.134 30.360 1.00 1.00 H new ATOM 0 HA MET A 44 66.731 25.373 28.734 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.661 23.131 28.363 1.00 1.00 H new ATOM 0 HB3 MET A 44 64.119 23.913 28.078 1.00 1.00 H new ATOM 0 HG2 MET A 44 65.146 25.061 26.072 1.00 1.00 H new ATOM 0 HG3 MET A 44 66.596 24.111 26.328 1.00 1.00 H new ATOM 0 HE1 MET A 44 65.795 20.567 25.347 1.00 1.00 H new ATOM 0 HE2 MET A 44 67.019 21.828 25.630 1.00 1.00 H new ATOM 0 HE3 MET A 44 65.982 21.278 26.967 1.00 1.00 H new ATOM 706 N LYS A 45 63.764 26.769 28.627 1.00 1.00 N ATOM 707 CA LYS A 45 63.118 27.986 28.227 1.00 1.00 C ATOM 708 C LYS A 45 63.707 29.192 28.890 1.00 1.00 C ATOM 709 O LYS A 45 63.919 30.235 28.275 1.00 1.00 O ATOM 710 CB LYS A 45 61.598 27.865 28.426 1.00 1.00 C ATOM 711 CG LYS A 45 60.805 28.928 27.659 1.00 1.00 C ATOM 712 CD LYS A 45 59.454 28.401 27.165 1.00 1.00 C ATOM 713 CE LYS A 45 58.537 27.885 28.277 1.00 1.00 C ATOM 714 NZ LYS A 45 57.314 27.317 27.672 1.00 1.00 N ATOM 0 H LYS A 45 63.186 26.156 29.202 1.00 1.00 H new ATOM 0 HA LYS A 45 63.299 28.138 27.163 1.00 1.00 H new ATOM 0 HB2 LYS A 45 61.273 26.876 28.104 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.369 27.946 29.489 1.00 1.00 H new ATOM 0 HG2 LYS A 45 60.642 29.792 28.303 1.00 1.00 H new ATOM 0 HG3 LYS A 45 61.392 29.272 26.807 1.00 1.00 H new ATOM 0 HD2 LYS A 45 58.941 29.198 26.627 1.00 1.00 H new ATOM 0 HD3 LYS A 45 59.630 27.596 26.451 1.00 1.00 H new ATOM 0 HE2 LYS A 45 59.052 27.127 28.867 1.00 1.00 H new ATOM 0 HE3 LYS A 45 58.278 28.696 28.957 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 56.687 26.965 28.423 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 56.822 28.054 27.127 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 57.572 26.533 27.040 1.00 1.00 H new ATOM 728 N ALA A 46 64.097 29.052 30.170 1.00 1.00 N ATOM 729 CA ALA A 46 64.834 30.041 30.905 1.00 1.00 C ATOM 730 C ALA A 46 66.178 30.365 30.324 1.00 1.00 C ATOM 731 O ALA A 46 66.610 31.516 30.290 1.00 1.00 O ATOM 732 CB ALA A 46 64.977 29.600 32.372 1.00 1.00 C ATOM 0 H ALA A 46 63.892 28.216 30.718 1.00 1.00 H new ATOM 0 HA ALA A 46 64.256 30.963 30.839 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.537 30.354 32.926 1.00 1.00 H new ATOM 0 HB2 ALA A 46 63.988 29.484 32.815 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.508 28.649 32.416 1.00 1.00 H new ATOM 738 N TYR A 47 66.898 29.362 29.789 1.00 1.00 N ATOM 739 CA TYR A 47 68.141 29.499 29.083 1.00 1.00 C ATOM 740 C TYR A 47 68.005 30.378 27.878 1.00 1.00 C ATOM 741 O TYR A 47 68.811 31.275 27.638 1.00 1.00 O ATOM 742 CB TYR A 47 68.601 28.088 28.663 1.00 1.00 C ATOM 743 CG TYR A 47 69.978 27.924 28.106 1.00 1.00 C ATOM 744 CD1 TYR A 47 71.029 28.788 28.358 1.00 1.00 C ATOM 745 CD2 TYR A 47 70.209 26.807 27.324 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.294 28.527 27.862 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.464 26.548 26.804 1.00 1.00 C ATOM 748 CZ TYR A 47 72.511 27.405 27.085 1.00 1.00 C ATOM 749 OH TYR A 47 73.782 27.170 26.522 1.00 1.00 O ATOM 0 H TYR A 47 66.594 28.391 29.853 1.00 1.00 H new ATOM 0 HA TYR A 47 68.875 29.971 29.736 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.516 27.439 29.534 1.00 1.00 H new ATOM 0 HB3 TYR A 47 67.896 27.717 27.919 1.00 1.00 H new ATOM 0 HD1 TYR A 47 70.860 29.676 28.949 1.00 1.00 H new ATOM 0 HD2 TYR A 47 69.397 26.126 27.116 1.00 1.00 H new ATOM 0 HE1 TYR A 47 73.110 29.199 28.082 1.00 1.00 H new ATOM 0 HE2 TYR A 47 71.625 25.680 26.181 1.00 1.00 H new ATOM 0 HH TYR A 47 74.473 27.553 27.102 1.00 1.00 H new ATOM 759 N CYS A 48 66.914 30.189 27.115 1.00 1.00 N ATOM 760 CA CYS A 48 66.561 30.982 25.973 1.00 1.00 C ATOM 761 C CYS A 48 66.298 32.420 26.295 1.00 1.00 C ATOM 762 O CYS A 48 66.771 33.309 25.588 1.00 1.00 O ATOM 763 CB CYS A 48 65.344 30.380 25.245 1.00 1.00 C ATOM 764 SG CYS A 48 65.699 28.694 24.662 1.00 1.00 S ATOM 0 H CYS A 48 66.242 29.445 27.303 1.00 1.00 H new ATOM 0 HA CYS A 48 67.433 30.961 25.320 1.00 1.00 H new ATOM 0 HB2 CYS A 48 64.486 30.363 25.917 1.00 1.00 H new ATOM 0 HB3 CYS A 48 65.073 31.011 24.399 1.00 1.00 H new ATOM 0 HG CYS A 48 65.736 27.883 25.677 1.00 1.00 H new ATOM 770 N GLU A 49 65.581 32.708 27.397 1.00 1.00 N ATOM 771 CA GLU A 49 65.328 34.036 27.881 1.00 1.00 C ATOM 772 C GLU A 49 66.567 34.784 28.266 1.00 1.00 C ATOM 773 O GLU A 49 66.774 35.935 27.882 1.00 1.00 O ATOM 774 CB GLU A 49 64.470 33.976 29.161 1.00 1.00 C ATOM 775 CG GLU A 49 63.035 33.461 28.993 1.00 1.00 C ATOM 776 CD GLU A 49 62.354 33.237 30.335 1.00 1.00 C ATOM 777 OE1 GLU A 49 63.017 33.278 31.406 1.00 1.00 O ATOM 778 OE2 GLU A 49 61.111 33.030 30.339 1.00 1.00 O ATOM 0 H GLU A 49 65.158 31.985 27.978 1.00 1.00 H new ATOM 0 HA GLU A 49 64.835 34.548 27.054 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.979 33.340 29.885 1.00 1.00 H new ATOM 0 HB3 GLU A 49 64.426 34.977 29.591 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.458 34.177 28.408 1.00 1.00 H new ATOM 0 HG3 GLU A 49 63.048 32.527 28.431 1.00 1.00 H new ATOM 785 N ARG A 50 67.445 34.149 29.064 1.00 1.00 N ATOM 786 CA ARG A 50 68.621 34.771 29.601 1.00 1.00 C ATOM 787 C ARG A 50 69.764 34.887 28.643 1.00 1.00 C ATOM 788 O ARG A 50 70.433 35.917 28.570 1.00 1.00 O ATOM 789 CB ARG A 50 69.090 34.044 30.876 1.00 1.00 C ATOM 790 CG ARG A 50 68.310 34.471 32.127 1.00 1.00 C ATOM 791 CD ARG A 50 66.966 33.761 32.297 1.00 1.00 C ATOM 792 NE ARG A 50 66.259 34.409 33.440 1.00 1.00 N ATOM 793 CZ ARG A 50 65.234 33.850 34.131 1.00 1.00 C ATOM 794 NH1 ARG A 50 64.453 32.865 33.627 1.00 1.00 N ATOM 795 NH2 ARG A 50 64.995 34.271 35.397 1.00 1.00 N ATOM 0 H ARG A 50 67.336 33.175 29.345 1.00 1.00 H new ATOM 0 HA ARG A 50 68.314 35.791 29.832 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.982 32.968 30.736 1.00 1.00 H new ATOM 0 HB3 ARG A 50 70.151 34.240 31.031 1.00 1.00 H new ATOM 0 HG2 ARG A 50 68.924 34.280 33.007 1.00 1.00 H new ATOM 0 HG3 ARG A 50 68.138 35.547 32.085 1.00 1.00 H new ATOM 0 HD2 ARG A 50 66.373 33.839 31.386 1.00 1.00 H new ATOM 0 HD3 ARG A 50 67.115 32.699 32.491 1.00 1.00 H new ATOM 0 HE ARG A 50 66.569 35.339 33.722 1.00 1.00 H new ATOM 0 HH11 ARG A 50 64.624 32.510 32.686 1.00 1.00 H new ATOM 0 HH12 ARG A 50 63.694 32.478 34.188 1.00 1.00 H new ATOM 0 HH21 ARG A 50 65.581 34.995 35.813 1.00 1.00 H new ATOM 0 HH22 ARG A 50 64.229 33.864 35.934 1.00 1.00 H new ATOM 809 N GLN A 51 70.042 33.826 27.866 1.00 1.00 N ATOM 810 CA GLN A 51 71.270 33.696 27.139 1.00 1.00 C ATOM 811 C GLN A 51 71.072 33.731 25.654 1.00 1.00 C ATOM 812 O GLN A 51 72.018 33.551 24.889 1.00 1.00 O ATOM 813 CB GLN A 51 71.990 32.429 27.644 1.00 1.00 C ATOM 814 CG GLN A 51 72.745 32.595 28.973 1.00 1.00 C ATOM 815 CD GLN A 51 73.800 33.697 28.962 1.00 1.00 C ATOM 816 OE1 GLN A 51 73.913 34.487 29.899 1.00 1.00 O ATOM 817 NE2 GLN A 51 74.612 33.758 27.874 1.00 1.00 N ATOM 0 H GLN A 51 69.403 33.042 27.739 1.00 1.00 H new ATOM 0 HA GLN A 51 71.907 34.559 27.330 1.00 1.00 H new ATOM 0 HB2 GLN A 51 71.254 31.633 27.759 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.696 32.103 26.881 1.00 1.00 H new ATOM 0 HG2 GLN A 51 72.024 32.806 29.763 1.00 1.00 H new ATOM 0 HG3 GLN A 51 73.226 31.650 29.225 1.00 1.00 H new ATOM 0 HE21 GLN A 51 74.495 33.090 27.112 1.00 1.00 H new ATOM 0 HE22 GLN A 51 75.338 34.472 27.819 1.00 1.00 H new ATOM 826 N GLY A 52 69.854 34.070 25.189 1.00 1.00 N ATOM 827 CA GLY A 52 69.597 34.524 23.849 1.00 1.00 C ATOM 828 C GLY A 52 69.542 33.496 22.767 1.00 1.00 C ATOM 829 O GLY A 52 70.161 33.659 21.716 1.00 1.00 O ATOM 0 H GLY A 52 69.014 34.027 25.766 1.00 1.00 H new ATOM 0 HA2 GLY A 52 68.647 35.059 23.852 1.00 1.00 H new ATOM 0 HA3 GLY A 52 70.369 35.247 23.586 1.00 1.00 H new ATOM 833 N LEU A 53 68.811 32.391 22.996 1.00 1.00 N ATOM 834 CA LEU A 53 68.811 31.226 22.157 1.00 1.00 C ATOM 835 C LEU A 53 67.409 30.896 21.746 1.00 1.00 C ATOM 836 O LEU A 53 66.459 31.365 22.371 1.00 1.00 O ATOM 837 CB LEU A 53 69.404 30.027 22.926 1.00 1.00 C ATOM 838 CG LEU A 53 70.711 30.326 23.686 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.086 29.164 24.618 1.00 1.00 C ATOM 840 CD2 LEU A 53 71.899 30.655 22.767 1.00 1.00 C ATOM 0 H LEU A 53 68.191 32.302 23.801 1.00 1.00 H new ATOM 0 HA LEU A 53 69.415 31.429 21.273 1.00 1.00 H new ATOM 0 HB2 LEU A 53 68.661 29.667 23.638 1.00 1.00 H new ATOM 0 HB3 LEU A 53 69.588 29.217 22.221 1.00 1.00 H new ATOM 0 HG LEU A 53 70.506 31.221 24.274 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.012 29.402 25.142 1.00 1.00 H new ATOM 0 HD12 LEU A 53 70.288 29.008 25.344 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.224 28.256 24.030 1.00 1.00 H new ATOM 0 HD21 LEU A 53 72.783 30.854 23.373 1.00 1.00 H new ATOM 0 HD22 LEU A 53 72.094 29.809 22.107 1.00 1.00 H new ATOM 0 HD23 LEU A 53 71.663 31.535 22.169 1.00 1.00 H new ATOM 852 N SER A 54 67.195 30.105 20.677 1.00 1.00 N ATOM 853 CA SER A 54 65.894 29.609 20.318 1.00 1.00 C ATOM 854 C SER A 54 65.753 28.179 20.734 1.00 1.00 C ATOM 855 O SER A 54 66.640 27.362 20.494 1.00 1.00 O ATOM 856 CB SER A 54 65.593 29.713 18.810 1.00 1.00 C ATOM 857 OG SER A 54 65.188 31.034 18.474 1.00 1.00 O ATOM 0 H SER A 54 67.938 29.802 20.048 1.00 1.00 H new ATOM 0 HA SER A 54 65.178 30.242 20.843 1.00 1.00 H new ATOM 0 HB2 SER A 54 66.479 29.441 18.236 1.00 1.00 H new ATOM 0 HB3 SER A 54 64.809 29.006 18.540 1.00 1.00 H new ATOM 0 HG SER A 54 65.002 31.085 17.513 1.00 1.00 H new ATOM 863 N MET A 55 64.629 27.795 21.369 1.00 1.00 N ATOM 864 CA MET A 55 64.479 26.518 22.010 1.00 1.00 C ATOM 865 C MET A 55 64.541 25.313 21.123 1.00 1.00 C ATOM 866 O MET A 55 65.031 24.260 21.526 1.00 1.00 O ATOM 867 CB MET A 55 63.261 26.449 22.954 1.00 1.00 C ATOM 868 CG MET A 55 61.874 26.523 22.306 1.00 1.00 C ATOM 869 SD MET A 55 60.531 26.416 23.527 1.00 1.00 S ATOM 870 CE MET A 55 59.202 26.680 22.318 1.00 1.00 C ATOM 0 H MET A 55 63.801 28.386 21.440 1.00 1.00 H new ATOM 0 HA MET A 55 65.387 26.462 22.611 1.00 1.00 H new ATOM 0 HB2 MET A 55 63.322 25.519 23.518 1.00 1.00 H new ATOM 0 HB3 MET A 55 63.343 27.264 23.673 1.00 1.00 H new ATOM 0 HG2 MET A 55 61.784 27.458 21.752 1.00 1.00 H new ATOM 0 HG3 MET A 55 61.770 25.713 21.584 1.00 1.00 H new ATOM 0 HE1 MET A 55 58.238 26.659 22.827 1.00 1.00 H new ATOM 0 HE2 MET A 55 59.337 27.648 21.835 1.00 1.00 H new ATOM 0 HE3 MET A 55 59.232 25.892 21.566 1.00 1.00 H new ATOM 880 N ARG A 56 64.077 25.405 19.863 1.00 1.00 N ATOM 881 CA ARG A 56 64.142 24.308 18.940 1.00 1.00 C ATOM 882 C ARG A 56 65.491 24.114 18.317 1.00 1.00 C ATOM 883 O ARG A 56 65.788 23.067 17.745 1.00 1.00 O ATOM 884 CB ARG A 56 63.047 24.438 17.866 1.00 1.00 C ATOM 885 CG ARG A 56 63.312 25.446 16.742 1.00 1.00 C ATOM 886 CD ARG A 56 62.048 25.859 15.984 1.00 1.00 C ATOM 887 NE ARG A 56 61.340 24.622 15.544 1.00 1.00 N ATOM 888 CZ ARG A 56 61.378 24.084 14.300 1.00 1.00 C ATOM 889 NH1 ARG A 56 61.992 24.670 13.244 1.00 1.00 N ATOM 890 NH2 ARG A 56 60.759 22.898 14.086 1.00 1.00 N ATOM 0 H ARG A 56 63.652 26.248 19.478 1.00 1.00 H new ATOM 0 HA ARG A 56 63.962 23.408 19.528 1.00 1.00 H new ATOM 0 HB2 ARG A 56 62.891 23.457 17.416 1.00 1.00 H new ATOM 0 HB3 ARG A 56 62.115 24.714 18.360 1.00 1.00 H new ATOM 0 HG2 ARG A 56 63.780 26.335 17.165 1.00 1.00 H new ATOM 0 HG3 ARG A 56 64.024 25.015 16.038 1.00 1.00 H new ATOM 0 HD2 ARG A 56 61.401 26.460 16.623 1.00 1.00 H new ATOM 0 HD3 ARG A 56 62.306 26.475 15.123 1.00 1.00 H new ATOM 0 HE ARG A 56 60.776 24.137 16.242 1.00 1.00 H new ATOM 0 HH11 ARG A 56 62.461 25.568 13.361 1.00 1.00 H new ATOM 0 HH12 ARG A 56 61.985 24.213 12.332 1.00 1.00 H new ATOM 0 HH21 ARG A 56 60.277 22.428 14.853 1.00 1.00 H new ATOM 0 HH22 ARG A 56 60.775 22.475 13.158 1.00 1.00 H new ATOM 904 N GLN A 57 66.382 25.117 18.429 1.00 1.00 N ATOM 905 CA GLN A 57 67.692 25.107 17.843 1.00 1.00 C ATOM 906 C GLN A 57 68.716 24.474 18.733 1.00 1.00 C ATOM 907 O GLN A 57 69.786 24.061 18.289 1.00 1.00 O ATOM 908 CB GLN A 57 68.108 26.561 17.542 1.00 1.00 C ATOM 909 CG GLN A 57 67.216 27.285 16.523 1.00 1.00 C ATOM 910 CD GLN A 57 67.189 26.646 15.139 1.00 1.00 C ATOM 911 OE1 GLN A 57 67.967 25.766 14.774 1.00 1.00 O ATOM 912 NE2 GLN A 57 66.223 27.117 14.308 1.00 1.00 N ATOM 0 H GLN A 57 66.183 25.971 18.949 1.00 1.00 H new ATOM 0 HA GLN A 57 67.646 24.512 16.931 1.00 1.00 H new ATOM 0 HB2 GLN A 57 68.104 27.126 18.474 1.00 1.00 H new ATOM 0 HB3 GLN A 57 69.133 26.562 17.173 1.00 1.00 H new ATOM 0 HG2 GLN A 57 66.198 27.322 16.912 1.00 1.00 H new ATOM 0 HG3 GLN A 57 67.558 28.315 16.427 1.00 1.00 H new ATOM 0 HE21 GLN A 57 65.587 27.847 14.628 1.00 1.00 H new ATOM 0 HE22 GLN A 57 66.134 26.740 13.364 1.00 1.00 H new ATOM 921 N ILE A 58 68.406 24.325 20.034 1.00 1.00 N ATOM 922 CA ILE A 58 69.283 23.756 21.016 1.00 1.00 C ATOM 923 C ILE A 58 68.670 22.500 21.546 1.00 1.00 C ATOM 924 O ILE A 58 67.459 22.405 21.738 1.00 1.00 O ATOM 925 CB ILE A 58 69.602 24.701 22.146 1.00 1.00 C ATOM 926 CG1 ILE A 58 68.347 25.255 22.851 1.00 1.00 C ATOM 927 CG2 ILE A 58 70.482 25.830 21.578 1.00 1.00 C ATOM 928 CD1 ILE A 58 68.658 26.114 24.077 1.00 1.00 C ATOM 0 H ILE A 58 67.507 24.613 20.420 1.00 1.00 H new ATOM 0 HA ILE A 58 70.232 23.541 20.524 1.00 1.00 H new ATOM 0 HB ILE A 58 70.135 24.154 22.923 1.00 1.00 H new ATOM 0 HG12 ILE A 58 67.774 25.848 22.139 1.00 1.00 H new ATOM 0 HG13 ILE A 58 67.714 24.421 23.154 1.00 1.00 H new ATOM 0 HG21 ILE A 58 70.731 26.533 22.373 1.00 1.00 H new ATOM 0 HG22 ILE A 58 71.399 25.406 21.169 1.00 1.00 H new ATOM 0 HG23 ILE A 58 69.940 26.352 20.789 1.00 1.00 H new ATOM 0 HD11 ILE A 58 67.727 26.468 24.519 1.00 1.00 H new ATOM 0 HD12 ILE A 58 69.204 25.519 24.809 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.265 26.969 23.778 1.00 1.00 H new ATOM 940 N ARG A 59 69.484 21.455 21.779 1.00 1.00 N ATOM 941 CA ARG A 59 69.035 20.211 22.332 1.00 1.00 C ATOM 942 C ARG A 59 70.060 19.773 23.330 1.00 1.00 C ATOM 943 O ARG A 59 71.248 20.056 23.181 1.00 1.00 O ATOM 944 CB ARG A 59 68.884 19.124 21.250 1.00 1.00 C ATOM 945 CG ARG A 59 67.737 19.322 20.249 1.00 1.00 C ATOM 946 CD ARG A 59 66.327 19.050 20.783 1.00 1.00 C ATOM 947 NE ARG A 59 65.810 20.280 21.450 1.00 1.00 N ATOM 948 CZ ARG A 59 64.515 20.445 21.821 1.00 1.00 C ATOM 949 NH1 ARG A 59 63.682 19.387 21.977 1.00 1.00 N ATOM 950 NH2 ARG A 59 64.034 21.689 22.063 1.00 1.00 N ATOM 0 H ARG A 59 70.484 21.474 21.578 1.00 1.00 H new ATOM 0 HA ARG A 59 68.056 20.353 22.790 1.00 1.00 H new ATOM 0 HB2 ARG A 59 69.819 19.062 20.693 1.00 1.00 H new ATOM 0 HB3 ARG A 59 68.745 18.163 21.746 1.00 1.00 H new ATOM 0 HG2 ARG A 59 67.774 20.348 19.882 1.00 1.00 H new ATOM 0 HG3 ARG A 59 67.912 18.671 19.393 1.00 1.00 H new ATOM 0 HD2 ARG A 59 65.666 18.759 19.967 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.346 18.220 21.489 1.00 1.00 H new ATOM 0 HE ARG A 59 66.466 21.039 21.638 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.024 18.440 21.815 1.00 1.00 H new ATOM 0 HH12 ARG A 59 62.713 19.538 22.257 1.00 1.00 H new ATOM 0 HH21 ARG A 59 64.645 22.500 21.966 1.00 1.00 H new ATOM 0 HH22 ARG A 59 63.061 21.814 22.342 1.00 1.00 H new ATOM 964 N PHE A 60 69.641 19.106 24.420 1.00 1.00 N ATOM 965 CA PHE A 60 70.509 18.819 25.524 1.00 1.00 C ATOM 966 C PHE A 60 70.866 17.367 25.551 1.00 1.00 C ATOM 967 O PHE A 60 70.099 16.490 25.155 1.00 1.00 O ATOM 968 CB PHE A 60 69.873 19.174 26.883 1.00 1.00 C ATOM 969 CG PHE A 60 69.576 20.615 27.141 1.00 1.00 C ATOM 970 CD1 PHE A 60 69.998 21.671 26.352 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.838 20.894 28.278 1.00 1.00 C ATOM 972 CE1 PHE A 60 69.657 22.973 26.669 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.488 22.191 28.605 1.00 1.00 C ATOM 974 CZ PHE A 60 68.900 23.234 27.796 1.00 1.00 C ATOM 0 H PHE A 60 68.689 18.761 24.539 1.00 1.00 H new ATOM 0 HA PHE A 60 71.396 19.434 25.377 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.942 18.615 26.977 1.00 1.00 H new ATOM 0 HB3 PHE A 60 70.538 18.820 27.670 1.00 1.00 H new ATOM 0 HD1 PHE A 60 70.601 21.476 25.478 1.00 1.00 H new ATOM 0 HD2 PHE A 60 68.530 20.084 28.922 1.00 1.00 H new ATOM 0 HE1 PHE A 60 69.982 23.786 26.036 1.00 1.00 H new ATOM 0 HE2 PHE A 60 67.896 22.388 29.487 1.00 1.00 H new ATOM 0 HZ PHE A 60 68.631 24.250 28.044 1.00 1.00 H new ATOM 984 N ARG A 61 72.081 17.065 26.039 1.00 1.00 N ATOM 985 CA ARG A 61 72.614 15.740 26.145 1.00 1.00 C ATOM 986 C ARG A 61 73.185 15.544 27.512 1.00 1.00 C ATOM 987 O ARG A 61 73.616 16.482 28.181 1.00 1.00 O ATOM 988 CB ARG A 61 73.747 15.506 25.126 1.00 1.00 C ATOM 989 CG ARG A 61 73.262 15.541 23.673 1.00 1.00 C ATOM 990 CD ARG A 61 74.384 15.425 22.638 1.00 1.00 C ATOM 991 NE ARG A 61 73.742 15.511 21.294 1.00 1.00 N ATOM 992 CZ ARG A 61 74.401 15.301 20.127 1.00 1.00 C ATOM 993 NH1 ARG A 61 75.749 15.180 20.068 1.00 1.00 N ATOM 994 NH2 ARG A 61 73.710 15.223 18.963 1.00 1.00 N ATOM 0 H ARG A 61 72.725 17.780 26.377 1.00 1.00 H new ATOM 0 HA ARG A 61 71.802 15.040 25.949 1.00 1.00 H new ATOM 0 HB2 ARG A 61 74.516 16.266 25.265 1.00 1.00 H new ATOM 0 HB3 ARG A 61 74.213 14.541 25.325 1.00 1.00 H new ATOM 0 HG2 ARG A 61 72.553 14.728 23.518 1.00 1.00 H new ATOM 0 HG3 ARG A 61 72.721 16.472 23.504 1.00 1.00 H new ATOM 0 HD2 ARG A 61 75.115 16.223 22.769 1.00 1.00 H new ATOM 0 HD3 ARG A 61 74.918 14.482 22.751 1.00 1.00 H new ATOM 0 HE ARG A 61 72.749 15.741 21.250 1.00 1.00 H new ATOM 0 HH11 ARG A 61 76.305 15.246 20.921 1.00 1.00 H new ATOM 0 HH12 ARG A 61 76.208 15.023 19.171 1.00 1.00 H new ATOM 0 HH21 ARG A 61 72.695 15.322 18.965 1.00 1.00 H new ATOM 0 HH22 ARG A 61 74.205 15.065 18.085 1.00 1.00 H new ATOM 1008 N PHE A 62 73.222 14.275 27.959 1.00 1.00 N ATOM 1009 CA PHE A 62 73.997 13.883 29.098 1.00 1.00 C ATOM 1010 C PHE A 62 74.894 12.748 28.711 1.00 1.00 C ATOM 1011 O PHE A 62 74.437 11.629 28.482 1.00 1.00 O ATOM 1012 CB PHE A 62 73.096 13.527 30.297 1.00 1.00 C ATOM 1013 CG PHE A 62 73.897 13.149 31.501 1.00 1.00 C ATOM 1014 CD1 PHE A 62 74.778 14.050 32.072 1.00 1.00 C ATOM 1015 CD2 PHE A 62 73.845 11.856 31.991 1.00 1.00 C ATOM 1016 CE1 PHE A 62 75.622 13.656 33.094 1.00 1.00 C ATOM 1017 CE2 PHE A 62 74.680 11.457 33.019 1.00 1.00 C ATOM 1018 CZ PHE A 62 75.574 12.357 33.568 1.00 1.00 C ATOM 0 H PHE A 62 72.707 13.510 27.524 1.00 1.00 H new ATOM 0 HA PHE A 62 74.614 14.721 29.421 1.00 1.00 H new ATOM 0 HB2 PHE A 62 72.458 14.378 30.537 1.00 1.00 H new ATOM 0 HB3 PHE A 62 72.438 12.702 30.025 1.00 1.00 H new ATOM 0 HD1 PHE A 62 74.807 15.069 31.717 1.00 1.00 H new ATOM 0 HD2 PHE A 62 73.145 11.151 31.566 1.00 1.00 H new ATOM 0 HE1 PHE A 62 76.318 14.362 33.522 1.00 1.00 H new ATOM 0 HE2 PHE A 62 74.634 10.444 33.392 1.00 1.00 H new ATOM 0 HZ PHE A 62 76.234 12.047 34.365 1.00 1.00 H new ATOM 1028 N ASP A 63 76.211 13.008 28.613 1.00 1.00 N ATOM 1029 CA ASP A 63 77.258 12.074 28.305 1.00 1.00 C ATOM 1030 C ASP A 63 77.009 11.200 27.112 1.00 1.00 C ATOM 1031 O ASP A 63 77.126 9.975 27.150 1.00 1.00 O ATOM 1032 CB ASP A 63 77.707 11.328 29.578 1.00 1.00 C ATOM 1033 CG ASP A 63 79.137 10.825 29.475 1.00 1.00 C ATOM 1034 OD1 ASP A 63 80.012 11.597 29.000 1.00 1.00 O ATOM 1035 OD2 ASP A 63 79.420 9.673 29.899 1.00 1.00 O ATOM 0 H ASP A 63 76.575 13.949 28.761 1.00 1.00 H new ATOM 0 HA ASP A 63 78.109 12.661 27.960 1.00 1.00 H new ATOM 0 HB2 ASP A 63 77.619 11.993 30.437 1.00 1.00 H new ATOM 0 HB3 ASP A 63 77.039 10.485 29.758 1.00 1.00 H new ATOM 1040 N GLY A 64 76.634 11.821 25.978 1.00 1.00 N ATOM 1041 CA GLY A 64 76.306 11.144 24.754 1.00 1.00 C ATOM 1042 C GLY A 64 74.930 10.569 24.667 1.00 1.00 C ATOM 1043 O GLY A 64 74.613 9.872 23.704 1.00 1.00 O ATOM 0 H GLY A 64 76.555 12.836 25.908 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.437 11.844 23.929 1.00 1.00 H new ATOM 0 HA3 GLY A 64 77.024 10.338 24.605 1.00 1.00 H new ATOM 1047 N GLN A 65 74.043 10.819 25.647 1.00 1.00 N ATOM 1048 CA GLN A 65 72.681 10.368 25.618 1.00 1.00 C ATOM 1049 C GLN A 65 71.771 11.544 25.441 1.00 1.00 C ATOM 1050 O GLN A 65 71.895 12.494 26.213 1.00 1.00 O ATOM 1051 CB GLN A 65 72.277 9.703 26.947 1.00 1.00 C ATOM 1052 CG GLN A 65 73.127 8.482 27.316 1.00 1.00 C ATOM 1053 CD GLN A 65 72.733 7.981 28.699 1.00 1.00 C ATOM 1054 OE1 GLN A 65 72.042 6.973 28.841 1.00 1.00 O ATOM 1055 NE2 GLN A 65 73.163 8.730 29.748 1.00 1.00 N ATOM 0 H GLN A 65 74.278 11.350 26.485 1.00 1.00 H new ATOM 0 HA GLN A 65 72.596 9.653 24.799 1.00 1.00 H new ATOM 0 HB2 GLN A 65 72.351 10.439 27.747 1.00 1.00 H new ATOM 0 HB3 GLN A 65 71.232 9.401 26.887 1.00 1.00 H new ATOM 0 HG2 GLN A 65 72.985 7.692 26.579 1.00 1.00 H new ATOM 0 HG3 GLN A 65 74.185 8.745 27.302 1.00 1.00 H new ATOM 0 HE21 GLN A 65 73.735 9.559 29.583 1.00 1.00 H new ATOM 0 HE22 GLN A 65 72.914 8.464 30.701 1.00 1.00 H new ATOM 1064 N PRO A 66 70.859 11.594 24.506 1.00 1.00 N ATOM 1065 CA PRO A 66 69.799 12.570 24.488 1.00 1.00 C ATOM 1066 C PRO A 66 68.940 12.613 25.714 1.00 1.00 C ATOM 1067 O PRO A 66 68.493 11.568 26.188 1.00 1.00 O ATOM 1068 CB PRO A 66 68.981 12.212 23.246 1.00 1.00 C ATOM 1069 CG PRO A 66 70.010 11.577 22.302 1.00 1.00 C ATOM 1070 CD PRO A 66 70.899 10.802 23.283 1.00 1.00 C ATOM 0 HA PRO A 66 70.223 13.574 24.466 1.00 1.00 H new ATOM 0 HB2 PRO A 66 68.175 11.518 23.484 1.00 1.00 H new ATOM 0 HB3 PRO A 66 68.521 13.095 22.801 1.00 1.00 H new ATOM 0 HG2 PRO A 66 69.542 10.921 21.568 1.00 1.00 H new ATOM 0 HG3 PRO A 66 70.572 12.327 21.746 1.00 1.00 H new ATOM 0 HD2 PRO A 66 70.522 9.793 23.450 1.00 1.00 H new ATOM 0 HD3 PRO A 66 71.917 10.704 22.905 1.00 1.00 H new ATOM 1078 N ILE A 67 68.638 13.820 26.227 1.00 1.00 N ATOM 1079 CA ILE A 67 67.697 14.030 27.290 1.00 1.00 C ATOM 1080 C ILE A 67 66.624 14.909 26.731 1.00 1.00 C ATOM 1081 O ILE A 67 66.880 15.825 25.951 1.00 1.00 O ATOM 1082 CB ILE A 67 68.286 14.606 28.551 1.00 1.00 C ATOM 1083 CG1 ILE A 67 69.026 15.932 28.296 1.00 1.00 C ATOM 1084 CG2 ILE A 67 69.215 13.553 29.183 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.608 16.582 29.550 1.00 1.00 C ATOM 0 H ILE A 67 69.064 14.684 25.890 1.00 1.00 H new ATOM 0 HA ILE A 67 67.311 13.064 27.615 1.00 1.00 H new ATOM 0 HB ILE A 67 67.478 14.845 29.242 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.834 15.752 27.587 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.338 16.633 27.824 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.650 13.954 30.098 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.642 12.656 29.417 1.00 1.00 H new ATOM 0 HG23 ILE A 67 70.011 13.303 28.482 1.00 1.00 H new ATOM 0 HD11 ILE A 67 70.111 17.510 29.279 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.805 16.797 30.254 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.324 15.903 30.013 1.00 1.00 H new ATOM 1097 N ASN A 68 65.352 14.606 27.040 1.00 1.00 N ATOM 1098 CA ASN A 68 64.244 15.120 26.287 1.00 1.00 C ATOM 1099 C ASN A 68 63.477 16.062 27.158 1.00 1.00 C ATOM 1100 O ASN A 68 63.646 16.064 28.374 1.00 1.00 O ATOM 1101 CB ASN A 68 63.370 13.963 25.763 1.00 1.00 C ATOM 1102 CG ASN A 68 64.257 12.981 25.008 1.00 1.00 C ATOM 1103 OD1 ASN A 68 64.850 13.284 23.973 1.00 1.00 O ATOM 1104 ND2 ASN A 68 64.392 11.743 25.550 1.00 1.00 N ATOM 0 H ASN A 68 65.086 14.001 27.817 1.00 1.00 H new ATOM 0 HA ASN A 68 64.595 15.666 25.411 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.872 13.461 26.592 1.00 1.00 H new ATOM 0 HB3 ASN A 68 62.589 14.347 25.107 1.00 1.00 H new ATOM 0 HD21 ASN A 68 64.991 11.051 25.099 1.00 1.00 H new ATOM 0 HD22 ASN A 68 63.895 11.505 26.408 1.00 1.00 H new ATOM 1111 N GLU A 69 62.594 16.924 26.621 1.00 1.00 N ATOM 1112 CA GLU A 69 61.900 17.911 27.402 1.00 1.00 C ATOM 1113 C GLU A 69 61.014 17.378 28.484 1.00 1.00 C ATOM 1114 O GLU A 69 60.812 18.019 29.514 1.00 1.00 O ATOM 1115 CB GLU A 69 61.088 18.820 26.464 1.00 1.00 C ATOM 1116 CG GLU A 69 62.013 19.807 25.743 1.00 1.00 C ATOM 1117 CD GLU A 69 61.390 20.287 24.444 1.00 1.00 C ATOM 1118 OE1 GLU A 69 61.441 19.531 23.437 1.00 1.00 O ATOM 1119 OE2 GLU A 69 60.841 21.420 24.410 1.00 1.00 O ATOM 0 H GLU A 69 62.356 16.939 25.629 1.00 1.00 H new ATOM 0 HA GLU A 69 62.679 18.463 27.928 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.553 18.214 25.733 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.338 19.366 27.036 1.00 1.00 H new ATOM 0 HG2 GLU A 69 62.216 20.660 26.390 1.00 1.00 H new ATOM 0 HG3 GLU A 69 62.971 19.329 25.536 1.00 1.00 H new ATOM 1126 N THR A 70 60.487 16.157 28.282 1.00 1.00 N ATOM 1127 CA THR A 70 59.692 15.413 29.219 1.00 1.00 C ATOM 1128 C THR A 70 60.522 14.754 30.277 1.00 1.00 C ATOM 1129 O THR A 70 60.010 14.333 31.314 1.00 1.00 O ATOM 1130 CB THR A 70 58.841 14.396 28.503 1.00 1.00 C ATOM 1131 OG1 THR A 70 58.133 15.031 27.447 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.761 13.770 29.401 1.00 1.00 C ATOM 0 H THR A 70 60.624 15.653 27.406 1.00 1.00 H new ATOM 0 HA THR A 70 59.042 16.128 29.723 1.00 1.00 H new ATOM 0 HB THR A 70 59.529 13.623 28.161 1.00 1.00 H new ATOM 0 HG1 THR A 70 57.581 14.370 26.980 1.00 1.00 H new ATOM 0 HG21 THR A 70 57.183 13.047 28.825 1.00 1.00 H new ATOM 0 HG22 THR A 70 58.235 13.267 30.244 1.00 1.00 H new ATOM 0 HG23 THR A 70 57.098 14.552 29.771 1.00 1.00 H new ATOM 1140 N ASP A 71 61.855 14.665 30.109 1.00 1.00 N ATOM 1141 CA ASP A 71 62.758 14.206 31.121 1.00 1.00 C ATOM 1142 C ASP A 71 62.982 15.254 32.169 1.00 1.00 C ATOM 1143 O ASP A 71 62.568 16.408 32.071 1.00 1.00 O ATOM 1144 CB ASP A 71 64.093 13.752 30.502 1.00 1.00 C ATOM 1145 CG ASP A 71 63.941 12.580 29.548 1.00 1.00 C ATOM 1146 OD1 ASP A 71 62.997 11.760 29.700 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.820 12.435 28.659 1.00 1.00 O ATOM 0 H ASP A 71 62.320 14.922 29.238 1.00 1.00 H new ATOM 0 HA ASP A 71 62.300 13.345 31.608 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.543 14.590 29.969 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.781 13.475 31.301 1.00 1.00 H new ATOM 1152 N THR A 72 63.624 14.865 33.285 1.00 1.00 N ATOM 1153 CA THR A 72 63.445 15.548 34.540 1.00 1.00 C ATOM 1154 C THR A 72 64.669 15.433 35.394 1.00 1.00 C ATOM 1155 O THR A 72 65.483 14.542 35.151 1.00 1.00 O ATOM 1156 CB THR A 72 62.235 15.170 35.367 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.347 13.922 36.036 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.944 15.086 34.536 1.00 1.00 C ATOM 0 H THR A 72 64.270 14.076 33.324 1.00 1.00 H new ATOM 0 HA THR A 72 63.262 16.575 34.225 1.00 1.00 H new ATOM 0 HB THR A 72 62.189 15.979 36.096 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.529 13.751 36.548 1.00 1.00 H new ATOM 0 HG21 THR A 72 60.112 14.811 35.184 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.743 16.054 34.078 1.00 1.00 H new ATOM 0 HG23 THR A 72 61.061 14.333 33.757 1.00 1.00 H new ATOM 1166 N PRO A 73 64.875 16.247 36.398 1.00 1.00 N ATOM 1167 CA PRO A 73 65.891 16.039 37.397 1.00 1.00 C ATOM 1168 C PRO A 73 65.766 14.775 38.186 1.00 1.00 C ATOM 1169 O PRO A 73 66.793 14.249 38.612 1.00 1.00 O ATOM 1170 CB PRO A 73 65.808 17.260 38.314 1.00 1.00 C ATOM 1171 CG PRO A 73 65.238 18.365 37.417 1.00 1.00 C ATOM 1172 CD PRO A 73 64.270 17.567 36.535 1.00 1.00 C ATOM 0 HA PRO A 73 66.855 15.927 36.901 1.00 1.00 H new ATOM 0 HB2 PRO A 73 65.163 17.071 39.172 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.788 17.531 38.706 1.00 1.00 H new ATOM 0 HG2 PRO A 73 64.728 19.139 37.991 1.00 1.00 H new ATOM 0 HG3 PRO A 73 66.013 18.861 36.833 1.00 1.00 H new ATOM 0 HD2 PRO A 73 63.283 17.502 36.993 1.00 1.00 H new ATOM 0 HD3 PRO A 73 64.140 18.043 35.563 1.00 1.00 H new ATOM 1180 N ALA A 74 64.544 14.271 38.432 1.00 1.00 N ATOM 1181 CA ALA A 74 64.323 12.998 39.058 1.00 1.00 C ATOM 1182 C ALA A 74 64.728 11.850 38.188 1.00 1.00 C ATOM 1183 O ALA A 74 65.402 10.909 38.606 1.00 1.00 O ATOM 1184 CB ALA A 74 62.830 12.839 39.393 1.00 1.00 C ATOM 0 H ALA A 74 63.682 14.760 38.190 1.00 1.00 H new ATOM 0 HA ALA A 74 64.937 12.980 39.958 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.665 11.872 39.868 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.523 13.634 40.072 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.243 12.898 38.476 1.00 1.00 H new ATOM 1190 N GLN A 75 64.332 11.911 36.905 1.00 1.00 N ATOM 1191 CA GLN A 75 64.559 10.900 35.915 1.00 1.00 C ATOM 1192 C GLN A 75 65.989 10.782 35.492 1.00 1.00 C ATOM 1193 O GLN A 75 66.531 9.683 35.386 1.00 1.00 O ATOM 1194 CB GLN A 75 63.632 11.166 34.716 1.00 1.00 C ATOM 1195 CG GLN A 75 62.181 10.771 35.030 1.00 1.00 C ATOM 1196 CD GLN A 75 61.170 11.141 33.951 1.00 1.00 C ATOM 1197 OE1 GLN A 75 60.054 11.579 34.233 1.00 1.00 O ATOM 1198 NE2 GLN A 75 61.551 10.930 32.665 1.00 1.00 N ATOM 0 H GLN A 75 63.823 12.714 36.535 1.00 1.00 H new ATOM 0 HA GLN A 75 64.323 9.935 36.363 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.673 12.222 34.450 1.00 1.00 H new ATOM 0 HB3 GLN A 75 63.984 10.605 33.850 1.00 1.00 H new ATOM 0 HG2 GLN A 75 62.140 9.694 35.193 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.884 11.246 35.965 1.00 1.00 H new ATOM 0 HE21 GLN A 75 62.482 10.566 32.462 1.00 1.00 H new ATOM 0 HE22 GLN A 75 60.906 11.135 31.902 1.00 1.00 H new ATOM 1207 N LEU A 76 66.687 11.913 35.277 1.00 1.00 N ATOM 1208 CA LEU A 76 68.084 11.890 34.949 1.00 1.00 C ATOM 1209 C LEU A 76 68.969 11.840 36.158 1.00 1.00 C ATOM 1210 O LEU A 76 70.174 11.617 36.060 1.00 1.00 O ATOM 1211 CB LEU A 76 68.405 13.140 34.109 1.00 1.00 C ATOM 1212 CG LEU A 76 69.790 13.153 33.435 1.00 1.00 C ATOM 1213 CD1 LEU A 76 69.931 12.025 32.399 1.00 1.00 C ATOM 1214 CD2 LEU A 76 70.067 14.523 32.796 1.00 1.00 C ATOM 0 H LEU A 76 66.284 12.848 35.330 1.00 1.00 H new ATOM 0 HA LEU A 76 68.284 10.978 34.387 1.00 1.00 H new ATOM 0 HB2 LEU A 76 67.644 13.241 33.335 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.325 14.017 34.751 1.00 1.00 H new ATOM 0 HG LEU A 76 70.536 12.975 34.210 1.00 1.00 H new ATOM 0 HD11 LEU A 76 70.922 12.069 31.946 1.00 1.00 H new ATOM 0 HD12 LEU A 76 69.799 11.061 32.890 1.00 1.00 H new ATOM 0 HD13 LEU A 76 69.173 12.145 31.625 1.00 1.00 H new ATOM 0 HD21 LEU A 76 71.050 14.513 32.325 1.00 1.00 H new ATOM 0 HD22 LEU A 76 69.306 14.734 32.044 1.00 1.00 H new ATOM 0 HD23 LEU A 76 70.041 15.295 33.565 1.00 1.00 H new ATOM 1226 N GLU A 77 68.402 11.997 37.368 1.00 1.00 N ATOM 1227 CA GLU A 77 69.080 11.883 38.629 1.00 1.00 C ATOM 1228 C GLU A 77 70.086 12.968 38.870 1.00 1.00 C ATOM 1229 O GLU A 77 71.193 12.750 39.361 1.00 1.00 O ATOM 1230 CB GLU A 77 69.648 10.471 38.882 1.00 1.00 C ATOM 1231 CG GLU A 77 68.629 9.357 38.601 1.00 1.00 C ATOM 1232 CD GLU A 77 69.201 7.962 38.800 1.00 1.00 C ATOM 1233 OE1 GLU A 77 69.388 7.550 39.975 1.00 1.00 O ATOM 1234 OE2 GLU A 77 69.421 7.237 37.792 1.00 1.00 O ATOM 0 H GLU A 77 67.412 12.217 37.475 1.00 1.00 H new ATOM 0 HA GLU A 77 68.307 12.036 39.383 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.526 10.320 38.254 1.00 1.00 H new ATOM 0 HB3 GLU A 77 69.981 10.399 39.917 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.768 9.487 39.256 1.00 1.00 H new ATOM 0 HG3 GLU A 77 68.268 9.453 37.577 1.00 1.00 H new ATOM 1241 N MET A 78 69.723 14.219 38.534 1.00 1.00 N ATOM 1242 CA MET A 78 70.497 15.415 38.692 1.00 1.00 C ATOM 1243 C MET A 78 70.844 15.768 40.107 1.00 1.00 C ATOM 1244 O MET A 78 70.108 15.470 41.047 1.00 1.00 O ATOM 1245 CB MET A 78 69.755 16.589 38.029 1.00 1.00 C ATOM 1246 CG MET A 78 69.610 16.468 36.508 1.00 1.00 C ATOM 1247 SD MET A 78 68.640 17.856 35.848 1.00 1.00 S ATOM 1248 CE MET A 78 68.330 17.288 34.152 1.00 1.00 C ATOM 0 H MET A 78 68.812 14.410 38.117 1.00 1.00 H new ATOM 0 HA MET A 78 71.452 15.217 38.205 1.00 1.00 H new ATOM 0 HB2 MET A 78 68.762 16.672 38.471 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.284 17.514 38.259 1.00 1.00 H new ATOM 0 HG2 MET A 78 70.596 16.452 36.043 1.00 1.00 H new ATOM 0 HG3 MET A 78 69.124 15.525 36.257 1.00 1.00 H new ATOM 0 HE1 MET A 78 67.490 17.841 33.731 1.00 1.00 H new ATOM 0 HE2 MET A 78 69.218 17.458 33.543 1.00 1.00 H new ATOM 0 HE3 MET A 78 68.096 16.224 34.162 1.00 1.00 H new ATOM 1258 N GLU A 79 72.010 16.410 40.302 1.00 1.00 N ATOM 1259 CA GLU A 79 72.539 16.807 41.575 1.00 1.00 C ATOM 1260 C GLU A 79 72.115 18.196 41.934 1.00 1.00 C ATOM 1261 O GLU A 79 71.488 18.913 41.158 1.00 1.00 O ATOM 1262 CB GLU A 79 74.078 16.704 41.600 1.00 1.00 C ATOM 1263 CG GLU A 79 74.577 15.252 41.614 1.00 1.00 C ATOM 1264 CD GLU A 79 76.093 15.145 41.673 1.00 1.00 C ATOM 1265 OE1 GLU A 79 76.699 15.577 42.689 1.00 1.00 O ATOM 1266 OE2 GLU A 79 76.694 14.613 40.700 1.00 1.00 O ATOM 0 H GLU A 79 72.621 16.668 39.527 1.00 1.00 H new ATOM 0 HA GLU A 79 72.133 16.119 42.317 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.486 17.215 40.728 1.00 1.00 H new ATOM 0 HB3 GLU A 79 74.458 17.222 42.480 1.00 1.00 H new ATOM 0 HG2 GLU A 79 74.148 14.735 42.472 1.00 1.00 H new ATOM 0 HG3 GLU A 79 74.217 14.741 40.721 1.00 1.00 H new ATOM 1273 N ASP A 80 72.498 18.640 43.146 1.00 1.00 N ATOM 1274 CA ASP A 80 72.437 19.984 43.641 1.00 1.00 C ATOM 1275 C ASP A 80 73.194 20.982 42.821 1.00 1.00 C ATOM 1276 O ASP A 80 72.896 22.175 42.858 1.00 1.00 O ATOM 1277 CB ASP A 80 72.704 20.066 45.154 1.00 1.00 C ATOM 1278 CG ASP A 80 74.084 19.547 45.520 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.380 18.351 45.258 1.00 1.00 O ATOM 1280 OD2 ASP A 80 74.886 20.325 46.100 1.00 1.00 O ATOM 0 H ASP A 80 72.885 18.001 43.840 1.00 1.00 H new ATOM 0 HA ASP A 80 71.401 20.296 43.511 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.607 21.101 45.483 1.00 1.00 H new ATOM 0 HB3 ASP A 80 71.947 19.490 45.687 1.00 1.00 H new ATOM 1285 N GLU A 81 74.232 20.508 42.111 1.00 1.00 N ATOM 1286 CA GLU A 81 74.935 21.227 41.087 1.00 1.00 C ATOM 1287 C GLU A 81 75.219 20.313 39.932 1.00 1.00 C ATOM 1288 O GLU A 81 76.333 19.809 39.790 1.00 1.00 O ATOM 1289 CB GLU A 81 76.255 21.837 41.606 1.00 1.00 C ATOM 1290 CG GLU A 81 76.073 22.995 42.597 1.00 1.00 C ATOM 1291 CD GLU A 81 77.388 23.511 43.164 1.00 1.00 C ATOM 1292 OE1 GLU A 81 78.247 24.003 42.384 1.00 1.00 O ATOM 1293 OE2 GLU A 81 77.576 23.429 44.408 1.00 1.00 O ATOM 0 H GLU A 81 74.604 19.570 42.258 1.00 1.00 H new ATOM 0 HA GLU A 81 74.297 22.050 40.765 1.00 1.00 H new ATOM 0 HB2 GLU A 81 76.839 21.052 42.087 1.00 1.00 H new ATOM 0 HB3 GLU A 81 76.836 22.191 40.755 1.00 1.00 H new ATOM 0 HG2 GLU A 81 75.554 23.813 42.098 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.435 22.666 43.417 1.00 1.00 H new ATOM 1300 N ASP A 82 74.237 20.041 39.047 1.00 1.00 N ATOM 1301 CA ASP A 82 74.443 19.228 37.880 1.00 1.00 C ATOM 1302 C ASP A 82 75.033 20.001 36.740 1.00 1.00 C ATOM 1303 O ASP A 82 74.986 21.230 36.708 1.00 1.00 O ATOM 1304 CB ASP A 82 73.164 18.518 37.385 1.00 1.00 C ATOM 1305 CG ASP A 82 73.448 17.051 37.104 1.00 1.00 C ATOM 1306 OD1 ASP A 82 73.639 16.285 38.084 1.00 1.00 O ATOM 1307 OD2 ASP A 82 73.528 16.650 35.914 1.00 1.00 O ATOM 0 H ASP A 82 73.284 20.391 39.143 1.00 1.00 H new ATOM 0 HA ASP A 82 75.150 18.467 38.210 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.378 18.606 38.135 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.797 19.004 36.481 1.00 1.00 H new ATOM 1312 N THR A 83 75.597 19.289 35.747 1.00 1.00 N ATOM 1313 CA THR A 83 76.149 19.864 34.550 1.00 1.00 C ATOM 1314 C THR A 83 75.636 19.144 33.343 1.00 1.00 C ATOM 1315 O THR A 83 75.864 17.949 33.155 1.00 1.00 O ATOM 1316 CB THR A 83 77.654 19.869 34.476 1.00 1.00 C ATOM 1317 OG1 THR A 83 78.203 20.577 35.577 1.00 1.00 O ATOM 1318 CG2 THR A 83 78.154 20.608 33.223 1.00 1.00 C ATOM 0 H THR A 83 75.673 18.272 35.775 1.00 1.00 H new ATOM 0 HA THR A 83 75.826 20.905 34.578 1.00 1.00 H new ATOM 0 HB THR A 83 77.961 18.823 34.465 1.00 1.00 H new ATOM 0 HG1 THR A 83 79.181 20.570 35.516 1.00 1.00 H new ATOM 0 HG21 THR A 83 79.244 20.592 33.202 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.767 20.115 32.331 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.807 21.641 33.247 1.00 1.00 H new ATOM 1326 N ILE A 84 74.923 19.866 32.461 1.00 1.00 N ATOM 1327 CA ILE A 84 74.220 19.370 31.311 1.00 1.00 C ATOM 1328 C ILE A 84 74.792 20.004 30.081 1.00 1.00 C ATOM 1329 O ILE A 84 75.174 21.173 30.095 1.00 1.00 O ATOM 1330 CB ILE A 84 72.743 19.640 31.443 1.00 1.00 C ATOM 1331 CG1 ILE A 84 72.135 18.961 32.687 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.969 19.249 30.171 1.00 1.00 C ATOM 1333 CD1 ILE A 84 72.264 17.437 32.733 1.00 1.00 C ATOM 0 H ILE A 84 74.829 20.877 32.558 1.00 1.00 H new ATOM 0 HA ILE A 84 74.344 18.290 31.235 1.00 1.00 H new ATOM 0 HB ILE A 84 72.641 20.717 31.575 1.00 1.00 H new ATOM 0 HG12 ILE A 84 72.611 19.376 33.575 1.00 1.00 H new ATOM 0 HG13 ILE A 84 71.078 19.221 32.741 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.909 19.461 30.311 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.345 19.824 29.325 1.00 1.00 H new ATOM 0 HG23 ILE A 84 72.104 18.185 29.976 1.00 1.00 H new ATOM 0 HD11 ILE A 84 71.805 17.060 33.647 1.00 1.00 H new ATOM 0 HD12 ILE A 84 71.761 17.003 31.869 1.00 1.00 H new ATOM 0 HD13 ILE A 84 73.318 17.160 32.716 1.00 1.00 H new ATOM 1345 N ASP A 85 74.942 19.254 28.973 1.00 1.00 N ATOM 1346 CA ASP A 85 75.649 19.704 27.808 1.00 1.00 C ATOM 1347 C ASP A 85 74.709 19.926 26.662 1.00 1.00 C ATOM 1348 O ASP A 85 73.662 19.290 26.561 1.00 1.00 O ATOM 1349 CB ASP A 85 76.705 18.644 27.440 1.00 1.00 C ATOM 1350 CG ASP A 85 77.864 18.735 28.416 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.653 19.713 28.324 1.00 1.00 O ATOM 1352 OD2 ASP A 85 78.042 17.844 29.289 1.00 1.00 O ATOM 0 H ASP A 85 74.563 18.311 28.883 1.00 1.00 H new ATOM 0 HA ASP A 85 76.134 20.656 28.022 1.00 1.00 H new ATOM 0 HB2 ASP A 85 76.264 17.648 27.472 1.00 1.00 H new ATOM 0 HB3 ASP A 85 77.058 18.804 26.421 1.00 1.00 H new ATOM 1357 N VAL A 86 75.023 20.879 25.764 1.00 1.00 N ATOM 1358 CA VAL A 86 74.175 21.297 24.682 1.00 1.00 C ATOM 1359 C VAL A 86 74.806 20.978 23.365 1.00 1.00 C ATOM 1360 O VAL A 86 76.011 21.146 23.182 1.00 1.00 O ATOM 1361 CB VAL A 86 73.893 22.777 24.657 1.00 1.00 C ATOM 1362 CG1 VAL A 86 72.767 23.149 23.674 1.00 1.00 C ATOM 1363 CG2 VAL A 86 73.485 23.246 26.060 1.00 1.00 C ATOM 0 H VAL A 86 75.909 21.383 25.791 1.00 1.00 H new ATOM 0 HA VAL A 86 73.242 20.757 24.845 1.00 1.00 H new ATOM 0 HB VAL A 86 74.808 23.269 24.326 1.00 1.00 H new ATOM 0 HG11 VAL A 86 72.606 24.227 23.697 1.00 1.00 H new ATOM 0 HG12 VAL A 86 73.049 22.845 22.666 1.00 1.00 H new ATOM 0 HG13 VAL A 86 71.848 22.638 23.963 1.00 1.00 H new ATOM 0 HG21 VAL A 86 73.281 24.317 26.041 1.00 1.00 H new ATOM 0 HG22 VAL A 86 72.589 22.712 26.376 1.00 1.00 H new ATOM 0 HG23 VAL A 86 74.295 23.043 26.761 1.00 1.00 H new ATOM 1373 N PHE A 87 74.010 20.509 22.388 1.00 1.00 N ATOM 1374 CA PHE A 87 74.410 20.492 21.011 1.00 1.00 C ATOM 1375 C PHE A 87 73.420 21.289 20.221 1.00 1.00 C ATOM 1376 O PHE A 87 72.223 21.302 20.504 1.00 1.00 O ATOM 1377 CB PHE A 87 74.515 19.037 20.519 1.00 1.00 C ATOM 1378 CG PHE A 87 75.442 18.879 19.360 1.00 1.00 C ATOM 1379 CD1 PHE A 87 75.011 19.119 18.067 1.00 1.00 C ATOM 1380 CD2 PHE A 87 76.749 18.471 19.564 1.00 1.00 C ATOM 1381 CE1 PHE A 87 75.869 18.967 16.993 1.00 1.00 C ATOM 1382 CE2 PHE A 87 77.610 18.304 18.495 1.00 1.00 C ATOM 1383 CZ PHE A 87 77.172 18.557 17.208 1.00 1.00 C ATOM 0 H PHE A 87 73.075 20.136 22.553 1.00 1.00 H new ATOM 0 HA PHE A 87 75.394 20.944 20.884 1.00 1.00 H new ATOM 0 HB2 PHE A 87 74.857 18.406 21.339 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.524 18.683 20.236 1.00 1.00 H new ATOM 0 HD1 PHE A 87 73.991 19.429 17.894 1.00 1.00 H new ATOM 0 HD2 PHE A 87 77.100 18.281 20.568 1.00 1.00 H new ATOM 0 HE1 PHE A 87 75.523 19.168 15.990 1.00 1.00 H new ATOM 0 HE2 PHE A 87 78.625 17.976 18.665 1.00 1.00 H new ATOM 0 HZ PHE A 87 77.846 18.435 16.373 1.00 1.00 H new ATOM 1393 N GLN A 88 73.897 22.031 19.206 1.00 1.00 N ATOM 1394 CA GLN A 88 73.063 22.842 18.363 1.00 1.00 C ATOM 1395 C GLN A 88 72.595 22.024 17.199 1.00 1.00 C ATOM 1396 O GLN A 88 73.393 21.479 16.438 1.00 1.00 O ATOM 1397 CB GLN A 88 73.831 24.096 17.901 1.00 1.00 C ATOM 1398 CG GLN A 88 72.976 25.138 17.166 1.00 1.00 C ATOM 1399 CD GLN A 88 73.748 26.420 16.877 1.00 1.00 C ATOM 1400 OE1 GLN A 88 73.479 27.484 17.436 1.00 1.00 O ATOM 1401 NE2 GLN A 88 74.754 26.338 15.969 1.00 1.00 N ATOM 0 H GLN A 88 74.887 22.071 18.962 1.00 1.00 H new ATOM 0 HA GLN A 88 72.190 23.180 18.921 1.00 1.00 H new ATOM 0 HB2 GLN A 88 74.286 24.568 18.772 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.645 23.786 17.245 1.00 1.00 H new ATOM 0 HG2 GLN A 88 72.617 24.714 16.228 1.00 1.00 H new ATOM 0 HG3 GLN A 88 72.098 25.373 17.767 1.00 1.00 H new ATOM 0 HE21 GLN A 88 74.961 25.448 15.517 1.00 1.00 H new ATOM 0 HE22 GLN A 88 75.302 27.167 15.739 1.00 1.00 H new ATOM 1410 N GLN A 89 71.270 21.859 17.032 1.00 1.00 N ATOM 1411 CA GLN A 89 70.730 20.729 16.332 1.00 1.00 C ATOM 1412 C GLN A 89 69.863 21.071 15.161 1.00 1.00 C ATOM 1413 O GLN A 89 68.979 21.922 15.226 1.00 1.00 O ATOM 1414 CB GLN A 89 69.939 19.842 17.313 1.00 1.00 C ATOM 1415 CG GLN A 89 69.881 18.357 16.927 1.00 1.00 C ATOM 1416 CD GLN A 89 71.266 17.721 16.934 1.00 1.00 C ATOM 1417 OE1 GLN A 89 71.787 17.255 15.920 1.00 1.00 O ATOM 1418 NE2 GLN A 89 71.915 17.721 18.127 1.00 1.00 N ATOM 0 H GLN A 89 70.568 22.510 17.383 1.00 1.00 H new ATOM 0 HA GLN A 89 71.590 20.200 15.921 1.00 1.00 H new ATOM 0 HB2 GLN A 89 70.386 19.929 18.303 1.00 1.00 H new ATOM 0 HB3 GLN A 89 68.921 20.224 17.388 1.00 1.00 H new ATOM 0 HG2 GLN A 89 69.232 17.825 17.623 1.00 1.00 H new ATOM 0 HG3 GLN A 89 69.438 18.255 15.936 1.00 1.00 H new ATOM 0 HE21 GLN A 89 71.463 18.113 18.953 1.00 1.00 H new ATOM 0 HE22 GLN A 89 72.854 17.329 18.197 1.00 1.00 H new ATOM 1481 N VAL B 966 72.161 32.937 38.992 1.00 1.00 N ATOM 1482 CA VAL B 966 71.328 33.301 37.883 1.00 1.00 C ATOM 1483 C VAL B 966 69.902 32.891 38.075 1.00 1.00 C ATOM 1484 O VAL B 966 69.135 33.597 38.729 1.00 1.00 O ATOM 1485 CB VAL B 966 72.014 33.133 36.548 1.00 1.00 C ATOM 1486 CG1 VAL B 966 72.984 31.944 36.440 1.00 1.00 C ATOM 1487 CG2 VAL B 966 71.036 33.075 35.365 1.00 1.00 C ATOM 0 HA VAL B 966 71.189 34.382 37.853 1.00 1.00 H new ATOM 0 HB VAL B 966 72.612 34.042 36.491 1.00 1.00 H new ATOM 0 HG11 VAL B 966 73.419 31.919 35.441 1.00 1.00 H new ATOM 0 HG12 VAL B 966 73.778 32.054 37.179 1.00 1.00 H new ATOM 0 HG13 VAL B 966 72.443 31.016 36.624 1.00 1.00 H new ATOM 0 HG21 VAL B 966 71.594 32.954 34.437 1.00 1.00 H new ATOM 0 HG22 VAL B 966 70.359 32.231 35.494 1.00 1.00 H new ATOM 0 HG23 VAL B 966 70.460 33.999 35.323 1.00 1.00 H new ATOM 1497 N ILE B 967 69.454 31.755 37.519 1.00 1.00 N ATOM 1498 CA ILE B 967 68.055 31.470 37.356 1.00 1.00 C ATOM 1499 C ILE B 967 67.450 30.780 38.540 1.00 1.00 C ATOM 1500 O ILE B 967 67.795 29.649 38.873 1.00 1.00 O ATOM 1501 CB ILE B 967 67.825 30.694 36.082 1.00 1.00 C ATOM 1502 CG1 ILE B 967 67.955 31.607 34.849 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.468 29.967 36.054 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.735 31.023 33.667 1.00 1.00 C ATOM 0 H ILE B 967 70.069 31.018 37.175 1.00 1.00 H new ATOM 0 HA ILE B 967 67.540 32.428 37.282 1.00 1.00 H new ATOM 0 HB ILE B 967 68.601 29.929 36.052 1.00 1.00 H new ATOM 0 HG12 ILE B 967 66.954 31.868 34.506 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.438 32.534 35.156 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.363 29.428 35.112 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.416 29.262 36.884 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.663 30.696 36.146 1.00 1.00 H new ATOM 0 HD11 ILE B 967 68.764 31.750 32.855 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.752 30.790 33.982 1.00 1.00 H new ATOM 0 HD13 ILE B 967 68.245 30.113 33.322 1.00 1.00 H new ATOM 1516 N ASP B 968 66.480 31.396 39.239 1.00 1.00 N ATOM 1517 CA ASP B 968 65.573 30.701 40.108 1.00 1.00 C ATOM 1518 C ASP B 968 64.251 30.542 39.414 1.00 1.00 C ATOM 1519 O ASP B 968 63.539 31.526 39.218 1.00 1.00 O ATOM 1520 CB ASP B 968 65.514 31.501 41.423 1.00 1.00 C ATOM 1521 CG ASP B 968 64.518 30.948 42.424 1.00 1.00 C ATOM 1522 OD1 ASP B 968 64.722 29.845 42.996 1.00 1.00 O ATOM 1523 OD2 ASP B 968 63.500 31.649 42.662 1.00 1.00 O ATOM 0 H ASP B 968 66.320 32.403 39.201 1.00 1.00 H new ATOM 0 HA ASP B 968 65.897 29.688 40.349 1.00 1.00 H new ATOM 0 HB2 ASP B 968 66.505 31.512 41.877 1.00 1.00 H new ATOM 0 HB3 ASP B 968 65.255 32.536 41.198 1.00 1.00 H new ATOM 1528 N LEU B 969 63.845 29.330 38.988 1.00 1.00 N ATOM 1529 CA LEU B 969 62.712 29.195 38.110 1.00 1.00 C ATOM 1530 C LEU B 969 61.439 28.809 38.798 1.00 1.00 C ATOM 1531 O LEU B 969 61.462 28.355 39.940 1.00 1.00 O ATOM 1532 CB LEU B 969 62.965 28.250 36.917 1.00 1.00 C ATOM 1533 CG LEU B 969 63.555 26.862 37.223 1.00 1.00 C ATOM 1534 CD1 LEU B 969 65.090 26.901 37.190 1.00 1.00 C ATOM 1535 CD2 LEU B 969 62.879 26.087 38.362 1.00 1.00 C ATOM 0 H LEU B 969 64.293 28.450 39.246 1.00 1.00 H new ATOM 0 HA LEU B 969 62.581 30.206 37.725 1.00 1.00 H new ATOM 0 HB2 LEU B 969 62.019 28.106 36.396 1.00 1.00 H new ATOM 0 HB3 LEU B 969 63.637 28.756 36.224 1.00 1.00 H new ATOM 0 HG LEU B 969 63.279 26.199 36.403 1.00 1.00 H new ATOM 0 HD11 LEU B 969 65.484 25.909 37.409 1.00 1.00 H new ATOM 0 HD12 LEU B 969 65.425 27.214 36.201 1.00 1.00 H new ATOM 0 HD13 LEU B 969 65.452 27.608 37.936 1.00 1.00 H new ATOM 0 HD21 LEU B 969 63.374 25.125 38.491 1.00 1.00 H new ATOM 0 HD22 LEU B 969 62.953 26.660 39.286 1.00 1.00 H new ATOM 0 HD23 LEU B 969 61.829 25.925 38.119 1.00 1.00 H new