USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 MET CE :methyl 142:sc= -0.597 (180deg=-1.97) USER MOD Set 1.2: A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 37 HIS : no HD1:sc= -0.339 X(o=-0.57,f=-0.66) USER MOD Set 2.2: A 38 THR OG1 : rot -170:sc= -0.231 USER MOD Set 3.1: A 19 ASN : amide:sc= 1.05 X(o=1.1,f=1) USER MOD Set 3.2: A 31 GLN : amide:sc= 0.102 X(o=1.1,f=1) USER MOD Single : A 17 HIS : no HD1:sc= -0.752 K(o=-0.75,f=0.14) 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 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= 1.25 (180deg=1.19) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 73:sc= 0.508 USER MOD Single : A 51 GLN : amide:sc= 0.375 X(o=0.37,f=-0.065) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.0024) USER MOD Single : A 65 GLN : amide:sc= 0.5 X(o=0.5,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.507 K(o=0.51,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0529 USER MOD Single : A 75 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.12) USER MOD Single : A 78 MET CE :methyl 178:sc= -0.536 (180deg=-0.544) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 64.806 21.058 46.130 1.00 1.00 N ATOM 245 CA HIS A 17 65.597 21.897 45.271 1.00 1.00 C ATOM 246 C HIS A 17 67.014 21.462 45.058 1.00 1.00 C ATOM 247 O HIS A 17 67.706 21.013 45.970 1.00 1.00 O ATOM 248 CB HIS A 17 65.586 23.395 45.634 1.00 1.00 C ATOM 249 CG HIS A 17 66.159 23.799 46.963 1.00 1.00 C ATOM 250 ND1 HIS A 17 65.876 25.029 47.493 1.00 1.00 N ATOM 251 CD2 HIS A 17 66.972 23.170 47.853 1.00 1.00 C ATOM 252 CE1 HIS A 17 66.474 25.142 48.665 1.00 1.00 C ATOM 253 NE2 HIS A 17 67.146 24.032 48.903 1.00 1.00 N ATOM 0 HA HIS A 17 65.066 21.763 44.328 1.00 1.00 H new ATOM 0 HB2 HIS A 17 66.131 23.932 44.857 1.00 1.00 H new ATOM 0 HB3 HIS A 17 64.553 23.741 45.596 1.00 1.00 H new ATOM 0 HD2 HIS A 17 67.398 22.183 47.752 1.00 1.00 H new ATOM 0 HE1 HIS A 17 66.422 26.000 49.319 1.00 1.00 H new ATOM 0 HE2 HIS A 17 67.705 23.846 49.735 1.00 1.00 H new ATOM 262 N ILE A 18 67.472 21.609 43.802 1.00 1.00 N ATOM 263 CA ILE A 18 68.792 21.367 43.298 1.00 1.00 C ATOM 264 C ILE A 18 69.067 22.471 42.328 1.00 1.00 C ATOM 265 O ILE A 18 68.163 23.168 41.869 1.00 1.00 O ATOM 266 CB ILE A 18 68.991 20.042 42.605 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.993 19.809 41.456 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.912 18.915 43.652 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.435 18.684 40.519 1.00 1.00 C ATOM 0 H ILE A 18 66.850 21.932 43.061 1.00 1.00 H new ATOM 0 HA ILE A 18 69.472 21.335 44.149 1.00 1.00 H new ATOM 0 HB ILE A 18 69.977 20.047 42.139 1.00 1.00 H new ATOM 0 HG12 ILE A 18 67.014 19.569 41.872 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.879 20.730 40.885 1.00 1.00 H new ATOM 0 HG21 ILE A 18 69.055 17.952 43.162 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.690 19.059 44.401 1.00 1.00 H new ATOM 0 HG23 ILE A 18 67.935 18.935 44.135 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.697 18.560 39.726 1.00 1.00 H new ATOM 0 HD12 ILE A 18 69.401 18.934 40.080 1.00 1.00 H new ATOM 0 HD13 ILE A 18 68.522 17.755 41.082 1.00 1.00 H new ATOM 281 N ASN A 19 70.337 22.747 41.984 1.00 1.00 N ATOM 282 CA ASN A 19 70.630 23.619 40.885 1.00 1.00 C ATOM 283 C ASN A 19 71.191 22.789 39.773 1.00 1.00 C ATOM 284 O ASN A 19 71.873 21.789 39.984 1.00 1.00 O ATOM 285 CB ASN A 19 71.609 24.755 41.229 1.00 1.00 C ATOM 286 CG ASN A 19 71.084 25.737 42.267 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.772 26.884 41.947 1.00 1.00 O ATOM 288 ND2 ASN A 19 71.038 25.340 43.564 1.00 1.00 N ATOM 0 H ASN A 19 71.157 22.371 42.461 1.00 1.00 H new ATOM 0 HA ASN A 19 69.699 24.109 40.599 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.539 24.320 41.594 1.00 1.00 H new ATOM 0 HB3 ASN A 19 71.849 25.301 40.317 1.00 1.00 H new ATOM 0 HD21 ASN A 19 70.742 25.995 44.288 1.00 1.00 H new ATOM 0 HD22 ASN A 19 71.299 24.387 43.815 1.00 1.00 H new ATOM 295 N LEU A 20 70.889 23.132 38.510 1.00 1.00 N ATOM 296 CA LEU A 20 71.462 22.447 37.388 1.00 1.00 C ATOM 297 C LEU A 20 71.839 23.493 36.382 1.00 1.00 C ATOM 298 O LEU A 20 71.199 24.541 36.301 1.00 1.00 O ATOM 299 CB LEU A 20 70.537 21.347 36.822 1.00 1.00 C ATOM 300 CG LEU A 20 69.369 21.820 35.938 1.00 1.00 C ATOM 301 CD1 LEU A 20 68.704 20.698 35.125 1.00 1.00 C ATOM 302 CD2 LEU A 20 68.239 22.550 36.682 1.00 1.00 C ATOM 0 H LEU A 20 70.247 23.885 38.262 1.00 1.00 H new ATOM 0 HA LEU A 20 72.352 21.895 37.692 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.146 20.655 36.241 1.00 1.00 H new ATOM 0 HB3 LEU A 20 70.125 20.784 37.659 1.00 1.00 H new ATOM 0 HG LEU A 20 69.879 22.522 35.278 1.00 1.00 H new ATOM 0 HD11 LEU A 20 67.891 21.113 34.529 1.00 1.00 H new ATOM 0 HD12 LEU A 20 69.441 20.241 34.465 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.307 19.943 35.804 1.00 1.00 H new ATOM 0 HD21 LEU A 20 67.465 22.842 35.972 1.00 1.00 H new ATOM 0 HD22 LEU A 20 67.810 21.887 37.433 1.00 1.00 H new ATOM 0 HD23 LEU A 20 68.639 23.439 37.169 1.00 1.00 H new ATOM 314 N LYS A 21 72.910 23.287 35.596 1.00 1.00 N ATOM 315 CA LYS A 21 73.381 24.179 34.575 1.00 1.00 C ATOM 316 C LYS A 21 73.322 23.582 33.203 1.00 1.00 C ATOM 317 O LYS A 21 73.436 22.372 33.012 1.00 1.00 O ATOM 318 CB LYS A 21 74.810 24.674 34.880 1.00 1.00 C ATOM 319 CG LYS A 21 75.951 23.753 34.435 1.00 1.00 C ATOM 320 CD LYS A 21 77.310 24.056 35.072 1.00 1.00 C ATOM 321 CE LYS A 21 77.428 23.596 36.528 1.00 1.00 C ATOM 322 NZ LYS A 21 78.832 23.710 36.979 1.00 1.00 N ATOM 0 H LYS A 21 73.484 22.447 35.676 1.00 1.00 H new ATOM 0 HA LYS A 21 72.701 25.031 34.584 1.00 1.00 H new ATOM 0 HB2 LYS A 21 74.946 25.644 34.403 1.00 1.00 H new ATOM 0 HB3 LYS A 21 74.896 24.833 35.955 1.00 1.00 H new ATOM 0 HG2 LYS A 21 75.679 22.723 34.667 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.051 23.820 33.352 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.091 23.574 34.484 1.00 1.00 H new ATOM 0 HD3 LYS A 21 77.492 25.130 35.024 1.00 1.00 H new ATOM 0 HE2 LYS A 21 76.782 24.202 37.164 1.00 1.00 H new ATOM 0 HE3 LYS A 21 77.089 22.564 36.621 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 78.906 23.396 37.968 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 79.438 23.114 36.381 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 79.141 24.700 36.906 1.00 1.00 H new ATOM 336 N VAL A 22 73.142 24.433 32.176 1.00 1.00 N ATOM 337 CA VAL A 22 73.262 24.050 30.797 1.00 1.00 C ATOM 338 C VAL A 22 74.472 24.729 30.244 1.00 1.00 C ATOM 339 O VAL A 22 74.610 25.946 30.357 1.00 1.00 O ATOM 340 CB VAL A 22 72.092 24.433 29.930 1.00 1.00 C ATOM 341 CG1 VAL A 22 72.203 23.698 28.582 1.00 1.00 C ATOM 342 CG2 VAL A 22 70.775 24.047 30.620 1.00 1.00 C ATOM 0 H VAL A 22 72.906 25.417 32.306 1.00 1.00 H new ATOM 0 HA VAL A 22 73.318 22.962 30.781 1.00 1.00 H new ATOM 0 HB VAL A 22 72.101 25.511 29.766 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.359 23.970 27.948 1.00 1.00 H new ATOM 0 HG12 VAL A 22 73.133 23.981 28.089 1.00 1.00 H new ATOM 0 HG13 VAL A 22 72.196 22.622 28.753 1.00 1.00 H new ATOM 0 HG21 VAL A 22 69.935 24.328 29.985 1.00 1.00 H new ATOM 0 HG22 VAL A 22 70.756 22.971 30.791 1.00 1.00 H new ATOM 0 HG23 VAL A 22 70.698 24.568 31.575 1.00 1.00 H new ATOM 352 N ALA A 23 75.400 23.959 29.647 1.00 1.00 N ATOM 353 CA ALA A 23 76.657 24.455 29.169 1.00 1.00 C ATOM 354 C ALA A 23 76.869 24.177 27.713 1.00 1.00 C ATOM 355 O ALA A 23 76.647 23.075 27.213 1.00 1.00 O ATOM 356 CB ALA A 23 77.798 23.835 29.995 1.00 1.00 C ATOM 0 H ALA A 23 75.273 22.959 29.491 1.00 1.00 H new ATOM 0 HA ALA A 23 76.650 25.539 29.287 1.00 1.00 H new ATOM 0 HB1 ALA A 23 78.755 24.211 29.633 1.00 1.00 H new ATOM 0 HB2 ALA A 23 77.676 24.104 31.044 1.00 1.00 H new ATOM 0 HB3 ALA A 23 77.773 22.750 29.894 1.00 1.00 H new ATOM 362 N GLY A 24 77.335 25.192 26.962 1.00 1.00 N ATOM 363 CA GLY A 24 77.629 25.000 25.569 1.00 1.00 C ATOM 364 C GLY A 24 78.101 26.265 24.935 1.00 1.00 C ATOM 365 O GLY A 24 78.604 27.159 25.612 1.00 1.00 O ATOM 0 H GLY A 24 77.508 26.135 27.310 1.00 1.00 H new ATOM 0 HA2 GLY A 24 78.392 24.229 25.459 1.00 1.00 H new ATOM 0 HA3 GLY A 24 76.738 24.643 25.053 1.00 1.00 H new ATOM 416 N VAL A 29 77.072 29.536 29.629 1.00 1.00 N ATOM 417 CA VAL A 29 76.503 28.637 30.592 1.00 1.00 C ATOM 418 C VAL A 29 75.450 29.358 31.377 1.00 1.00 C ATOM 419 O VAL A 29 75.643 30.508 31.765 1.00 1.00 O ATOM 420 CB VAL A 29 77.566 28.098 31.517 1.00 1.00 C ATOM 421 CG1 VAL A 29 76.995 27.122 32.562 1.00 1.00 C ATOM 422 CG2 VAL A 29 78.698 27.406 30.737 1.00 1.00 C ATOM 0 HA VAL A 29 76.055 27.793 30.068 1.00 1.00 H new ATOM 0 HB VAL A 29 77.971 28.963 32.042 1.00 1.00 H new ATOM 0 HG11 VAL A 29 77.800 26.763 33.203 1.00 1.00 H new ATOM 0 HG12 VAL A 29 76.249 27.635 33.169 1.00 1.00 H new ATOM 0 HG13 VAL A 29 76.531 26.276 32.055 1.00 1.00 H new ATOM 0 HG21 VAL A 29 79.445 27.031 31.436 1.00 1.00 H new ATOM 0 HG22 VAL A 29 78.289 26.575 30.162 1.00 1.00 H new ATOM 0 HG23 VAL A 29 79.163 28.122 30.059 1.00 1.00 H new ATOM 432 N VAL A 30 74.288 28.735 31.653 1.00 1.00 N ATOM 433 CA VAL A 30 73.330 29.266 32.584 1.00 1.00 C ATOM 434 C VAL A 30 72.936 28.221 33.579 1.00 1.00 C ATOM 435 O VAL A 30 72.777 27.055 33.223 1.00 1.00 O ATOM 436 CB VAL A 30 72.147 29.934 31.926 1.00 1.00 C ATOM 437 CG1 VAL A 30 70.820 29.156 31.982 1.00 1.00 C ATOM 438 CG2 VAL A 30 71.891 31.287 32.604 1.00 1.00 C ATOM 0 H VAL A 30 74.007 27.852 31.227 1.00 1.00 H new ATOM 0 HA VAL A 30 73.822 30.074 33.125 1.00 1.00 H new ATOM 0 HB VAL A 30 72.429 30.010 30.876 1.00 1.00 H new ATOM 0 HG11 VAL A 30 70.041 29.729 31.479 1.00 1.00 H new ATOM 0 HG12 VAL A 30 70.941 28.194 31.484 1.00 1.00 H new ATOM 0 HG13 VAL A 30 70.537 28.993 33.022 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.037 31.774 32.133 1.00 1.00 H new ATOM 0 HG22 VAL A 30 71.681 31.130 33.662 1.00 1.00 H new ATOM 0 HG23 VAL A 30 72.773 31.919 32.499 1.00 1.00 H new ATOM 448 N GLN A 31 72.802 28.578 34.872 1.00 1.00 N ATOM 449 CA GLN A 31 72.409 27.666 35.909 1.00 1.00 C ATOM 450 C GLN A 31 71.220 28.142 36.674 1.00 1.00 C ATOM 451 O GLN A 31 71.017 29.327 36.934 1.00 1.00 O ATOM 452 CB GLN A 31 73.565 27.317 36.865 1.00 1.00 C ATOM 453 CG GLN A 31 73.785 28.169 38.124 1.00 1.00 C ATOM 454 CD GLN A 31 73.134 27.657 39.405 1.00 1.00 C ATOM 455 OE1 GLN A 31 73.773 26.949 40.185 1.00 1.00 O ATOM 456 NE2 GLN A 31 71.855 28.039 39.658 1.00 1.00 N ATOM 0 H GLN A 31 72.971 29.527 35.207 1.00 1.00 H new ATOM 0 HA GLN A 31 72.123 26.750 35.391 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.422 26.286 37.189 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.488 27.344 36.286 1.00 1.00 H new ATOM 0 HG2 GLN A 31 74.858 28.256 38.296 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.411 29.174 37.927 1.00 1.00 H new ATOM 0 HE21 GLN A 31 71.356 28.626 38.989 1.00 1.00 H new ATOM 0 HE22 GLN A 31 71.394 27.739 40.517 1.00 1.00 H new ATOM 465 N PHE A 32 70.361 27.202 37.100 1.00 1.00 N ATOM 466 CA PHE A 32 69.000 27.488 37.429 1.00 1.00 C ATOM 467 C PHE A 32 68.597 26.628 38.581 1.00 1.00 C ATOM 468 O PHE A 32 68.990 25.467 38.677 1.00 1.00 O ATOM 469 CB PHE A 32 68.369 27.183 36.059 1.00 1.00 C ATOM 470 CG PHE A 32 66.920 26.895 35.878 1.00 1.00 C ATOM 471 CD1 PHE A 32 66.375 25.727 36.376 1.00 1.00 C ATOM 472 CD2 PHE A 32 66.176 27.681 35.018 1.00 1.00 C ATOM 473 CE1 PHE A 32 65.079 25.381 36.049 1.00 1.00 C ATOM 474 CE2 PHE A 32 64.854 27.384 34.749 1.00 1.00 C ATOM 475 CZ PHE A 32 64.323 26.213 35.249 1.00 1.00 C ATOM 0 H PHE A 32 70.617 26.222 37.219 1.00 1.00 H new ATOM 0 HA PHE A 32 68.723 28.480 37.784 1.00 1.00 H new ATOM 0 HB2 PHE A 32 68.597 28.034 35.417 1.00 1.00 H new ATOM 0 HB3 PHE A 32 68.907 26.326 35.655 1.00 1.00 H new ATOM 0 HD1 PHE A 32 66.961 25.087 37.019 1.00 1.00 H new ATOM 0 HD2 PHE A 32 66.635 28.539 34.550 1.00 1.00 H new ATOM 0 HE1 PHE A 32 64.657 24.459 36.420 1.00 1.00 H new ATOM 0 HE2 PHE A 32 64.248 28.055 34.159 1.00 1.00 H new ATOM 0 HZ PHE A 32 63.304 25.945 35.012 1.00 1.00 H new ATOM 485 N LYS A 33 67.816 27.193 39.519 1.00 1.00 N ATOM 486 CA LYS A 33 67.533 26.530 40.756 1.00 1.00 C ATOM 487 C LYS A 33 66.107 26.104 40.849 1.00 1.00 C ATOM 488 O LYS A 33 65.176 26.887 41.047 1.00 1.00 O ATOM 489 CB LYS A 33 67.606 27.591 41.867 1.00 1.00 C ATOM 490 CG LYS A 33 67.685 26.973 43.268 1.00 1.00 C ATOM 491 CD LYS A 33 68.069 27.950 44.383 1.00 1.00 C ATOM 492 CE LYS A 33 66.982 28.978 44.711 1.00 1.00 C ATOM 493 NZ LYS A 33 67.402 29.853 45.826 1.00 1.00 N ATOM 0 H LYS A 33 67.380 28.110 39.422 1.00 1.00 H new ATOM 0 HA LYS A 33 68.222 25.689 40.833 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.478 28.224 41.703 1.00 1.00 H new ATOM 0 HB3 LYS A 33 66.729 28.235 41.807 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.718 26.531 43.509 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.412 26.161 43.250 1.00 1.00 H new ATOM 0 HD2 LYS A 33 68.303 27.383 45.284 1.00 1.00 H new ATOM 0 HD3 LYS A 33 68.978 28.477 44.093 1.00 1.00 H new ATOM 0 HE2 LYS A 33 66.770 29.583 43.829 1.00 1.00 H new ATOM 0 HE3 LYS A 33 66.058 28.464 44.975 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 66.649 30.541 46.030 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 67.581 29.275 46.672 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 68.271 30.359 45.562 1.00 1.00 H new ATOM 507 N ILE A 34 66.000 24.768 40.897 1.00 1.00 N ATOM 508 CA ILE A 34 64.772 24.079 40.650 1.00 1.00 C ATOM 509 C ILE A 34 64.720 22.750 41.310 1.00 1.00 C ATOM 510 O ILE A 34 65.666 22.078 41.714 1.00 1.00 O ATOM 511 CB ILE A 34 64.432 23.899 39.198 1.00 1.00 C ATOM 512 CG1 ILE A 34 63.014 23.437 38.809 1.00 1.00 C ATOM 513 CG2 ILE A 34 65.560 23.083 38.543 1.00 1.00 C ATOM 514 CD1 ILE A 34 61.884 24.210 39.494 1.00 1.00 C ATOM 0 H ILE A 34 66.783 24.151 41.112 1.00 1.00 H new ATOM 0 HA ILE A 34 64.026 24.744 41.086 1.00 1.00 H new ATOM 0 HB ILE A 34 64.376 24.908 38.788 1.00 1.00 H new ATOM 0 HG12 ILE A 34 62.899 23.531 37.729 1.00 1.00 H new ATOM 0 HG13 ILE A 34 62.911 22.379 39.050 1.00 1.00 H new ATOM 0 HG21 ILE A 34 65.337 22.938 37.486 1.00 1.00 H new ATOM 0 HG22 ILE A 34 66.503 23.619 38.645 1.00 1.00 H new ATOM 0 HG23 ILE A 34 65.639 22.113 39.034 1.00 1.00 H new ATOM 0 HD11 ILE A 34 60.922 23.819 39.162 1.00 1.00 H new ATOM 0 HD12 ILE A 34 61.969 24.096 40.575 1.00 1.00 H new ATOM 0 HD13 ILE A 34 61.955 25.266 39.233 1.00 1.00 H new ATOM 526 N LYS A 35 63.447 22.408 41.519 1.00 1.00 N ATOM 527 CA LYS A 35 63.015 21.177 42.095 1.00 1.00 C ATOM 528 C LYS A 35 63.354 19.978 41.272 1.00 1.00 C ATOM 529 O LYS A 35 63.337 19.971 40.042 1.00 1.00 O ATOM 530 CB LYS A 35 61.517 21.250 42.420 1.00 1.00 C ATOM 531 CG LYS A 35 61.268 22.047 43.700 1.00 1.00 C ATOM 532 CD LYS A 35 61.645 23.531 43.707 1.00 1.00 C ATOM 533 CE LYS A 35 61.560 23.972 45.167 1.00 1.00 C ATOM 534 NZ LYS A 35 61.815 25.419 45.272 1.00 1.00 N ATOM 0 H LYS A 35 62.671 23.023 41.273 1.00 1.00 H new ATOM 0 HA LYS A 35 63.572 21.042 43.022 1.00 1.00 H new ATOM 0 HB2 LYS A 35 60.984 21.714 41.590 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.117 20.242 42.532 1.00 1.00 H new ATOM 0 HG2 LYS A 35 60.207 21.971 43.940 1.00 1.00 H new ATOM 0 HG3 LYS A 35 61.814 21.560 44.508 1.00 1.00 H new ATOM 0 HD2 LYS A 35 62.649 23.682 43.310 1.00 1.00 H new ATOM 0 HD3 LYS A 35 60.965 24.111 43.083 1.00 1.00 H new ATOM 0 HE2 LYS A 35 60.574 23.738 45.569 1.00 1.00 H new ATOM 0 HE3 LYS A 35 62.287 23.422 45.765 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 61.755 25.711 46.268 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 62.765 25.632 44.905 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 61.105 25.938 44.716 1.00 1.00 H new ATOM 548 N ARG A 36 63.704 18.900 41.990 1.00 1.00 N ATOM 549 CA ARG A 36 64.191 17.685 41.401 1.00 1.00 C ATOM 550 C ARG A 36 63.136 16.909 40.672 1.00 1.00 C ATOM 551 O ARG A 36 63.393 16.217 39.688 1.00 1.00 O ATOM 552 CB ARG A 36 64.937 16.861 42.466 1.00 1.00 C ATOM 553 CG ARG A 36 65.900 15.817 41.893 1.00 1.00 C ATOM 554 CD ARG A 36 66.858 15.256 42.947 1.00 1.00 C ATOM 555 NE ARG A 36 67.876 14.447 42.219 1.00 1.00 N ATOM 556 CZ ARG A 36 67.916 13.091 42.173 1.00 1.00 C ATOM 557 NH1 ARG A 36 66.925 12.314 42.670 1.00 1.00 N ATOM 558 NH2 ARG A 36 68.991 12.517 41.582 1.00 1.00 N ATOM 0 H ARG A 36 63.649 18.867 43.008 1.00 1.00 H new ATOM 0 HA ARG A 36 64.902 17.948 40.617 1.00 1.00 H new ATOM 0 HB2 ARG A 36 65.497 17.541 43.109 1.00 1.00 H new ATOM 0 HB3 ARG A 36 64.205 16.356 43.097 1.00 1.00 H new ATOM 0 HG2 ARG A 36 65.326 14.999 41.458 1.00 1.00 H new ATOM 0 HG3 ARG A 36 66.478 16.266 41.085 1.00 1.00 H new ATOM 0 HD2 ARG A 36 67.333 16.063 43.506 1.00 1.00 H new ATOM 0 HD3 ARG A 36 66.321 14.641 43.669 1.00 1.00 H new ATOM 0 HE ARG A 36 68.603 14.954 41.714 1.00 1.00 H new ATOM 0 HH11 ARG A 36 66.107 12.745 43.100 1.00 1.00 H new ATOM 0 HH12 ARG A 36 66.997 11.298 42.614 1.00 1.00 H new ATOM 0 HH21 ARG A 36 69.731 13.101 41.193 1.00 1.00 H new ATOM 0 HH22 ARG A 36 69.060 11.501 41.526 1.00 1.00 H new ATOM 572 N HIS A 37 61.866 17.041 41.100 1.00 1.00 N ATOM 573 CA HIS A 37 60.734 16.475 40.425 1.00 1.00 C ATOM 574 C HIS A 37 60.292 17.193 39.185 1.00 1.00 C ATOM 575 O HIS A 37 59.709 16.585 38.289 1.00 1.00 O ATOM 576 CB HIS A 37 59.528 16.355 41.377 1.00 1.00 C ATOM 577 CG HIS A 37 58.905 17.649 41.820 1.00 1.00 C ATOM 578 ND1 HIS A 37 59.311 18.309 42.948 1.00 1.00 N ATOM 579 CD2 HIS A 37 57.940 18.416 41.246 1.00 1.00 C ATOM 580 CE1 HIS A 37 58.611 19.423 43.073 1.00 1.00 C ATOM 581 NE2 HIS A 37 57.787 19.518 42.047 1.00 1.00 N ATOM 0 H HIS A 37 61.617 17.558 41.943 1.00 1.00 H new ATOM 0 HA HIS A 37 61.089 15.496 40.103 1.00 1.00 H new ATOM 0 HB2 HIS A 37 58.761 15.755 40.886 1.00 1.00 H new ATOM 0 HB3 HIS A 37 59.844 15.805 42.263 1.00 1.00 H new ATOM 0 HD2 HIS A 37 57.399 18.199 40.336 1.00 1.00 H new ATOM 0 HE1 HIS A 37 58.699 20.136 43.880 1.00 1.00 H new ATOM 0 HE2 HIS A 37 57.140 20.288 41.877 1.00 1.00 H new ATOM 590 N THR A 38 60.496 18.520 39.106 1.00 1.00 N ATOM 591 CA THR A 38 60.072 19.409 38.057 1.00 1.00 C ATOM 592 C THR A 38 60.670 19.109 36.715 1.00 1.00 C ATOM 593 O THR A 38 61.847 18.752 36.685 1.00 1.00 O ATOM 594 CB THR A 38 60.412 20.816 38.475 1.00 1.00 C ATOM 595 OG1 THR A 38 59.681 21.148 39.645 1.00 1.00 O ATOM 596 CG2 THR A 38 60.170 21.956 37.473 1.00 1.00 C ATOM 0 H THR A 38 61.002 19.017 39.839 1.00 1.00 H new ATOM 0 HA THR A 38 58.998 19.274 37.927 1.00 1.00 H new ATOM 0 HB THR A 38 61.493 20.766 38.601 1.00 1.00 H new ATOM 0 HG1 THR A 38 59.776 22.106 39.829 1.00 1.00 H new ATOM 0 HG21 THR A 38 60.464 22.904 37.923 1.00 1.00 H new ATOM 0 HG22 THR A 38 60.761 21.782 36.574 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.113 21.991 37.210 1.00 1.00 H new ATOM 604 N PRO A 39 60.020 19.198 35.582 1.00 1.00 N ATOM 605 CA PRO A 39 60.630 19.020 34.287 1.00 1.00 C ATOM 606 C PRO A 39 61.796 19.902 33.963 1.00 1.00 C ATOM 607 O PRO A 39 61.799 21.077 34.326 1.00 1.00 O ATOM 608 CB PRO A 39 59.503 19.277 33.285 1.00 1.00 C ATOM 609 CG PRO A 39 58.546 20.197 34.054 1.00 1.00 C ATOM 610 CD PRO A 39 58.616 19.570 35.452 1.00 1.00 C ATOM 0 HA PRO A 39 61.063 18.020 34.257 1.00 1.00 H new ATOM 0 HB2 PRO A 39 59.874 19.752 32.377 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.014 18.350 32.984 1.00 1.00 H new ATOM 0 HG2 PRO A 39 58.876 21.236 34.049 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.537 20.181 33.643 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.314 20.276 36.225 1.00 1.00 H new ATOM 0 HD3 PRO A 39 57.960 18.703 35.538 1.00 1.00 H new ATOM 618 N LEU A 40 62.782 19.392 33.201 1.00 1.00 N ATOM 619 CA LEU A 40 63.879 20.153 32.672 1.00 1.00 C ATOM 620 C LEU A 40 63.483 21.219 31.701 1.00 1.00 C ATOM 621 O LEU A 40 64.202 22.196 31.499 1.00 1.00 O ATOM 622 CB LEU A 40 65.089 19.365 32.138 1.00 1.00 C ATOM 623 CG LEU A 40 64.958 18.749 30.737 1.00 1.00 C ATOM 624 CD1 LEU A 40 66.350 18.645 30.094 1.00 1.00 C ATOM 625 CD2 LEU A 40 64.282 17.375 30.812 1.00 1.00 C ATOM 0 H LEU A 40 62.818 18.406 32.941 1.00 1.00 H new ATOM 0 HA LEU A 40 64.232 20.631 33.585 1.00 1.00 H new ATOM 0 HB2 LEU A 40 65.952 20.031 32.136 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.307 18.562 32.842 1.00 1.00 H new ATOM 0 HG LEU A 40 64.331 19.391 30.118 1.00 1.00 H new ATOM 0 HD11 LEU A 40 66.260 18.208 29.100 1.00 1.00 H new ATOM 0 HD12 LEU A 40 66.789 19.639 30.015 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.990 18.014 30.711 1.00 1.00 H new ATOM 0 HD21 LEU A 40 64.199 16.955 29.809 1.00 1.00 H new ATOM 0 HD22 LEU A 40 64.879 16.709 31.435 1.00 1.00 H new ATOM 0 HD23 LEU A 40 63.287 17.482 31.244 1.00 1.00 H new ATOM 637 N SER A 41 62.332 21.056 31.022 1.00 1.00 N ATOM 638 CA SER A 41 61.822 21.938 30.009 1.00 1.00 C ATOM 639 C SER A 41 61.733 23.374 30.420 1.00 1.00 C ATOM 640 O SER A 41 61.851 24.267 29.580 1.00 1.00 O ATOM 641 CB SER A 41 60.458 21.484 29.449 1.00 1.00 C ATOM 642 OG SER A 41 60.145 22.144 28.229 1.00 1.00 O ATOM 0 H SER A 41 61.718 20.259 31.189 1.00 1.00 H new ATOM 0 HA SER A 41 62.573 21.872 29.222 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.472 20.406 29.287 1.00 1.00 H new ATOM 0 HB3 SER A 41 59.678 21.686 30.183 1.00 1.00 H new ATOM 0 HG SER A 41 59.276 21.832 27.902 1.00 1.00 H new ATOM 648 N LYS A 42 61.535 23.705 31.712 1.00 1.00 N ATOM 649 CA LYS A 42 61.528 25.069 32.143 1.00 1.00 C ATOM 650 C LYS A 42 62.866 25.728 31.988 1.00 1.00 C ATOM 651 O LYS A 42 63.002 26.846 31.495 1.00 1.00 O ATOM 652 CB LYS A 42 61.097 24.933 33.612 1.00 1.00 C ATOM 653 CG LYS A 42 60.837 26.277 34.281 1.00 1.00 C ATOM 654 CD LYS A 42 59.609 26.993 33.724 1.00 1.00 C ATOM 655 CE LYS A 42 59.546 28.290 34.524 1.00 1.00 C ATOM 656 NZ LYS A 42 58.382 29.121 34.165 1.00 1.00 N ATOM 0 H LYS A 42 61.380 23.026 32.457 1.00 1.00 H new ATOM 0 HA LYS A 42 60.871 25.711 31.556 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.194 24.326 33.665 1.00 1.00 H new ATOM 0 HB3 LYS A 42 61.872 24.402 34.165 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.707 26.124 35.352 1.00 1.00 H new ATOM 0 HG3 LYS A 42 61.712 26.915 34.154 1.00 1.00 H new ATOM 0 HD2 LYS A 42 59.710 27.187 32.656 1.00 1.00 H new ATOM 0 HD3 LYS A 42 58.705 26.398 33.856 1.00 1.00 H new ATOM 0 HE2 LYS A 42 59.506 28.055 35.588 1.00 1.00 H new ATOM 0 HE3 LYS A 42 60.460 28.860 34.358 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 58.386 29.990 34.737 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 58.431 29.370 33.156 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 57.507 28.590 34.348 1.00 1.00 H new ATOM 670 N LEU A 43 63.935 24.997 32.350 1.00 1.00 N ATOM 671 CA LEU A 43 65.311 25.337 32.136 1.00 1.00 C ATOM 672 C LEU A 43 65.705 25.444 30.701 1.00 1.00 C ATOM 673 O LEU A 43 66.441 26.357 30.332 1.00 1.00 O ATOM 674 CB LEU A 43 66.219 24.349 32.893 1.00 1.00 C ATOM 675 CG LEU A 43 67.609 24.025 32.316 1.00 1.00 C ATOM 676 CD1 LEU A 43 68.672 24.176 33.414 1.00 1.00 C ATOM 677 CD2 LEU A 43 67.619 22.611 31.714 1.00 1.00 C ATOM 0 H LEU A 43 63.831 24.102 32.828 1.00 1.00 H new ATOM 0 HA LEU A 43 65.444 26.342 32.536 1.00 1.00 H new ATOM 0 HB2 LEU A 43 66.363 24.739 33.900 1.00 1.00 H new ATOM 0 HB3 LEU A 43 65.675 23.409 32.990 1.00 1.00 H new ATOM 0 HG LEU A 43 67.843 24.726 31.515 1.00 1.00 H new ATOM 0 HD11 LEU A 43 69.655 23.946 33.003 1.00 1.00 H new ATOM 0 HD12 LEU A 43 68.666 25.200 33.788 1.00 1.00 H new ATOM 0 HD13 LEU A 43 68.451 23.490 34.231 1.00 1.00 H new ATOM 0 HD21 LEU A 43 68.608 22.395 31.310 1.00 1.00 H new ATOM 0 HD22 LEU A 43 67.377 21.884 32.489 1.00 1.00 H new ATOM 0 HD23 LEU A 43 66.879 22.550 30.916 1.00 1.00 H new ATOM 689 N MET A 44 65.235 24.527 29.840 1.00 1.00 N ATOM 690 CA MET A 44 65.498 24.579 28.430 1.00 1.00 C ATOM 691 C MET A 44 65.049 25.857 27.782 1.00 1.00 C ATOM 692 O MET A 44 65.808 26.534 27.088 1.00 1.00 O ATOM 693 CB MET A 44 64.876 23.333 27.768 1.00 1.00 C ATOM 694 CG MET A 44 65.542 22.000 28.133 1.00 1.00 C ATOM 695 SD MET A 44 64.659 20.532 27.519 1.00 1.00 S ATOM 696 CE MET A 44 64.534 20.949 25.756 1.00 1.00 C ATOM 0 H MET A 44 64.661 23.733 30.124 1.00 1.00 H new ATOM 0 HA MET A 44 66.578 24.571 28.282 1.00 1.00 H new ATOM 0 HB2 MET A 44 63.823 23.282 28.043 1.00 1.00 H new ATOM 0 HB3 MET A 44 64.917 23.457 26.686 1.00 1.00 H new ATOM 0 HG2 MET A 44 66.557 21.993 27.735 1.00 1.00 H new ATOM 0 HG3 MET A 44 65.625 21.933 29.218 1.00 1.00 H new ATOM 0 HE1 MET A 44 64.673 20.048 25.158 1.00 1.00 H new ATOM 0 HE2 MET A 44 63.551 21.372 25.551 1.00 1.00 H new ATOM 0 HE3 MET A 44 65.303 21.677 25.499 1.00 1.00 H new ATOM 706 N LYS A 45 63.820 26.312 28.093 1.00 1.00 N ATOM 707 CA LYS A 45 63.324 27.589 27.662 1.00 1.00 C ATOM 708 C LYS A 45 64.061 28.740 28.272 1.00 1.00 C ATOM 709 O LYS A 45 64.390 29.724 27.613 1.00 1.00 O ATOM 710 CB LYS A 45 61.814 27.729 27.934 1.00 1.00 C ATOM 711 CG LYS A 45 61.154 28.898 27.192 1.00 1.00 C ATOM 712 CD LYS A 45 59.629 28.911 27.341 1.00 1.00 C ATOM 713 CE LYS A 45 59.111 29.587 28.615 1.00 1.00 C ATOM 714 NZ LYS A 45 58.977 31.047 28.423 1.00 1.00 N ATOM 0 H LYS A 45 63.155 25.782 28.656 1.00 1.00 H new ATOM 0 HA LYS A 45 63.497 27.625 26.586 1.00 1.00 H new ATOM 0 HB2 LYS A 45 61.316 26.803 27.648 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.658 27.857 29.005 1.00 1.00 H new ATOM 0 HG2 LYS A 45 61.559 29.837 27.569 1.00 1.00 H new ATOM 0 HG3 LYS A 45 61.411 28.842 26.134 1.00 1.00 H new ATOM 0 HD2 LYS A 45 59.198 29.418 26.477 1.00 1.00 H new ATOM 0 HD3 LYS A 45 59.268 27.883 27.320 1.00 1.00 H new ATOM 0 HE2 LYS A 45 58.145 29.163 28.889 1.00 1.00 H new ATOM 0 HE3 LYS A 45 59.794 29.386 29.441 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 59.011 31.523 29.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 59.757 31.392 27.827 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 58.069 31.254 27.960 1.00 1.00 H new ATOM 728 N ALA A 46 64.403 28.640 29.570 1.00 1.00 N ATOM 729 CA ALA A 46 65.130 29.654 30.276 1.00 1.00 C ATOM 730 C ALA A 46 66.529 29.856 29.784 1.00 1.00 C ATOM 731 O ALA A 46 67.002 30.988 29.716 1.00 1.00 O ATOM 732 CB ALA A 46 65.115 29.400 31.792 1.00 1.00 C ATOM 0 H ALA A 46 64.168 27.832 30.146 1.00 1.00 H new ATOM 0 HA ALA A 46 64.603 30.585 30.068 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.675 30.186 32.298 1.00 1.00 H new ATOM 0 HB2 ALA A 46 64.086 29.399 32.151 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.574 28.434 32.004 1.00 1.00 H new ATOM 738 N TYR A 47 67.247 28.796 29.369 1.00 1.00 N ATOM 739 CA TYR A 47 68.534 28.874 28.735 1.00 1.00 C ATOM 740 C TYR A 47 68.447 29.628 27.445 1.00 1.00 C ATOM 741 O TYR A 47 69.266 30.502 27.162 1.00 1.00 O ATOM 742 CB TYR A 47 69.118 27.463 28.510 1.00 1.00 C ATOM 743 CG TYR A 47 70.522 27.414 27.992 1.00 1.00 C ATOM 744 CD1 TYR A 47 71.541 28.143 28.584 1.00 1.00 C ATOM 745 CD2 TYR A 47 70.846 26.578 26.938 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.854 28.020 28.165 1.00 1.00 C ATOM 747 CE2 TYR A 47 72.154 26.461 26.500 1.00 1.00 C ATOM 748 CZ TYR A 47 73.164 27.171 27.120 1.00 1.00 C ATOM 749 OH TYR A 47 74.491 27.024 26.662 1.00 1.00 O ATOM 0 H TYR A 47 66.917 27.837 29.480 1.00 1.00 H new ATOM 0 HA TYR A 47 69.207 29.418 29.398 1.00 1.00 H new ATOM 0 HB2 TYR A 47 69.080 26.920 29.454 1.00 1.00 H new ATOM 0 HB3 TYR A 47 68.474 26.931 27.810 1.00 1.00 H new ATOM 0 HD1 TYR A 47 71.305 28.822 29.390 1.00 1.00 H new ATOM 0 HD2 TYR A 47 70.068 26.009 26.451 1.00 1.00 H new ATOM 0 HE1 TYR A 47 73.634 28.586 28.653 1.00 1.00 H new ATOM 0 HE2 TYR A 47 72.386 25.811 25.669 1.00 1.00 H new ATOM 0 HH TYR A 47 74.512 26.383 25.921 1.00 1.00 H new ATOM 759 N CYS A 48 67.393 29.371 26.649 1.00 1.00 N ATOM 760 CA CYS A 48 67.138 30.130 25.457 1.00 1.00 C ATOM 761 C CYS A 48 66.892 31.593 25.674 1.00 1.00 C ATOM 762 O CYS A 48 67.469 32.435 24.986 1.00 1.00 O ATOM 763 CB CYS A 48 65.963 29.543 24.650 1.00 1.00 C ATOM 764 SG CYS A 48 66.229 27.818 24.140 1.00 1.00 S ATOM 0 H CYS A 48 66.712 28.634 26.830 1.00 1.00 H new ATOM 0 HA CYS A 48 68.069 30.047 24.896 1.00 1.00 H new ATOM 0 HB2 CYS A 48 65.055 29.601 25.250 1.00 1.00 H new ATOM 0 HB3 CYS A 48 65.799 30.155 23.763 1.00 1.00 H new ATOM 0 HG CYS A 48 66.116 27.038 25.174 1.00 1.00 H new ATOM 770 N GLU A 49 66.049 31.976 26.649 1.00 1.00 N ATOM 771 CA GLU A 49 65.794 33.349 26.984 1.00 1.00 C ATOM 772 C GLU A 49 66.928 34.086 27.632 1.00 1.00 C ATOM 773 O GLU A 49 67.324 35.164 27.193 1.00 1.00 O ATOM 774 CB GLU A 49 64.528 33.426 27.858 1.00 1.00 C ATOM 775 CG GLU A 49 63.279 32.983 27.082 1.00 1.00 C ATOM 776 CD GLU A 49 61.985 33.110 27.868 1.00 1.00 C ATOM 777 OE1 GLU A 49 61.945 33.778 28.935 1.00 1.00 O ATOM 778 OE2 GLU A 49 60.958 32.538 27.413 1.00 1.00 O ATOM 0 H GLU A 49 65.528 31.314 27.223 1.00 1.00 H new ATOM 0 HA GLU A 49 65.655 33.864 26.033 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.653 32.795 28.738 1.00 1.00 H new ATOM 0 HB3 GLU A 49 64.393 34.447 28.215 1.00 1.00 H new ATOM 0 HG2 GLU A 49 63.199 33.578 26.172 1.00 1.00 H new ATOM 0 HG3 GLU A 49 63.405 31.945 26.774 1.00 1.00 H new ATOM 785 N ARG A 50 67.538 33.511 28.685 1.00 1.00 N ATOM 786 CA ARG A 50 68.577 34.106 29.477 1.00 1.00 C ATOM 787 C ARG A 50 69.884 34.228 28.766 1.00 1.00 C ATOM 788 O ARG A 50 70.627 35.193 28.943 1.00 1.00 O ATOM 789 CB ARG A 50 68.822 33.339 30.793 1.00 1.00 C ATOM 790 CG ARG A 50 67.832 33.745 31.889 1.00 1.00 C ATOM 791 CD ARG A 50 68.542 34.504 33.012 1.00 1.00 C ATOM 792 NE ARG A 50 67.505 34.927 33.994 1.00 1.00 N ATOM 793 CZ ARG A 50 67.751 35.716 35.072 1.00 1.00 C ATOM 794 NH1 ARG A 50 68.981 36.216 35.341 1.00 1.00 N ATOM 795 NH2 ARG A 50 66.738 36.038 35.913 1.00 1.00 N ATOM 0 H ARG A 50 67.292 32.574 29.004 1.00 1.00 H new ATOM 0 HA ARG A 50 68.202 35.108 29.688 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.739 32.268 30.609 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.839 33.525 31.137 1.00 1.00 H new ATOM 0 HG2 ARG A 50 67.047 34.369 31.462 1.00 1.00 H new ATOM 0 HG3 ARG A 50 67.348 32.857 32.295 1.00 1.00 H new ATOM 0 HD2 ARG A 50 69.287 33.870 33.491 1.00 1.00 H new ATOM 0 HD3 ARG A 50 69.070 35.371 32.614 1.00 1.00 H new ATOM 0 HE ARG A 50 66.549 34.603 33.848 1.00 1.00 H new ATOM 0 HH11 ARG A 50 69.764 36.004 34.723 1.00 1.00 H new ATOM 0 HH12 ARG A 50 69.124 36.805 36.161 1.00 1.00 H new ATOM 0 HH21 ARG A 50 65.797 35.688 35.735 1.00 1.00 H new ATOM 0 HH22 ARG A 50 66.917 36.630 36.724 1.00 1.00 H new ATOM 809 N GLN A 51 70.231 33.214 27.956 1.00 1.00 N ATOM 810 CA GLN A 51 71.534 33.106 27.372 1.00 1.00 C ATOM 811 C GLN A 51 71.493 33.302 25.889 1.00 1.00 C ATOM 812 O GLN A 51 72.492 33.124 25.196 1.00 1.00 O ATOM 813 CB GLN A 51 72.162 31.770 27.812 1.00 1.00 C ATOM 814 CG GLN A 51 73.317 31.933 28.810 1.00 1.00 C ATOM 815 CD GLN A 51 74.575 32.693 28.398 1.00 1.00 C ATOM 816 OE1 GLN A 51 75.442 32.910 29.244 1.00 1.00 O ATOM 817 NE2 GLN A 51 74.719 33.116 27.117 1.00 1.00 N ATOM 0 H GLN A 51 69.598 32.456 27.701 1.00 1.00 H new ATOM 0 HA GLN A 51 72.177 33.908 27.733 1.00 1.00 H new ATOM 0 HB2 GLN A 51 71.390 31.146 28.262 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.526 31.242 26.931 1.00 1.00 H new ATOM 0 HG2 GLN A 51 72.915 32.426 29.695 1.00 1.00 H new ATOM 0 HG3 GLN A 51 73.626 30.933 29.115 1.00 1.00 H new ATOM 0 HE21 GLN A 51 73.988 32.925 26.432 1.00 1.00 H new ATOM 0 HE22 GLN A 51 75.558 33.625 26.839 1.00 1.00 H new ATOM 826 N GLY A 52 70.339 33.763 25.371 1.00 1.00 N ATOM 827 CA GLY A 52 70.207 34.361 24.071 1.00 1.00 C ATOM 828 C GLY A 52 70.253 33.438 22.899 1.00 1.00 C ATOM 829 O GLY A 52 70.936 33.715 21.914 1.00 1.00 O ATOM 0 H GLY A 52 69.456 33.718 25.880 1.00 1.00 H new ATOM 0 HA2 GLY A 52 69.261 34.902 24.040 1.00 1.00 H new ATOM 0 HA3 GLY A 52 71.001 35.099 23.954 1.00 1.00 H new ATOM 833 N LEU A 53 69.543 32.297 22.963 1.00 1.00 N ATOM 834 CA LEU A 53 69.627 31.249 21.987 1.00 1.00 C ATOM 835 C LEU A 53 68.288 30.978 21.376 1.00 1.00 C ATOM 836 O LEU A 53 67.245 31.224 21.981 1.00 1.00 O ATOM 837 CB LEU A 53 70.147 29.936 22.606 1.00 1.00 C ATOM 838 CG LEU A 53 71.388 30.082 23.507 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.728 28.737 24.164 1.00 1.00 C ATOM 840 CD2 LEU A 53 72.621 30.623 22.764 1.00 1.00 C ATOM 0 H LEU A 53 68.888 32.095 23.718 1.00 1.00 H new ATOM 0 HA LEU A 53 70.325 31.591 21.223 1.00 1.00 H new ATOM 0 HB2 LEU A 53 69.345 29.486 23.190 1.00 1.00 H new ATOM 0 HB3 LEU A 53 70.383 29.241 21.800 1.00 1.00 H new ATOM 0 HG LEU A 53 71.129 30.818 24.268 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.607 28.854 24.798 1.00 1.00 H new ATOM 0 HD12 LEU A 53 70.885 28.405 24.770 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.934 27.996 23.391 1.00 1.00 H new ATOM 0 HD21 LEU A 53 73.458 30.701 23.457 1.00 1.00 H new ATOM 0 HD22 LEU A 53 72.884 29.944 21.953 1.00 1.00 H new ATOM 0 HD23 LEU A 53 72.396 31.608 22.355 1.00 1.00 H new ATOM 852 N SER A 54 68.252 30.446 20.140 1.00 1.00 N ATOM 853 CA SER A 54 67.039 30.026 19.498 1.00 1.00 C ATOM 854 C SER A 54 66.890 28.543 19.611 1.00 1.00 C ATOM 855 O SER A 54 67.820 27.779 19.359 1.00 1.00 O ATOM 856 CB SER A 54 67.002 30.339 17.991 1.00 1.00 C ATOM 857 OG SER A 54 66.844 31.727 17.724 1.00 1.00 O ATOM 0 H SER A 54 69.086 30.303 19.571 1.00 1.00 H new ATOM 0 HA SER A 54 66.242 30.574 20.001 1.00 1.00 H new ATOM 0 HB2 SER A 54 67.924 29.986 17.528 1.00 1.00 H new ATOM 0 HB3 SER A 54 66.182 29.788 17.529 1.00 1.00 H new ATOM 0 HG SER A 54 66.828 31.874 16.755 1.00 1.00 H new ATOM 863 N MET A 55 65.675 28.067 19.934 1.00 1.00 N ATOM 864 CA MET A 55 65.323 26.697 20.172 1.00 1.00 C ATOM 865 C MET A 55 65.577 25.790 19.007 1.00 1.00 C ATOM 866 O MET A 55 65.995 24.641 19.130 1.00 1.00 O ATOM 867 CB MET A 55 63.824 26.652 20.523 1.00 1.00 C ATOM 868 CG MET A 55 63.315 25.284 20.987 1.00 1.00 C ATOM 869 SD MET A 55 64.040 24.755 22.568 1.00 1.00 S ATOM 870 CE MET A 55 63.148 23.174 22.621 1.00 1.00 C ATOM 0 H MET A 55 64.873 28.689 20.037 1.00 1.00 H new ATOM 0 HA MET A 55 65.955 26.334 20.982 1.00 1.00 H new ATOM 0 HB2 MET A 55 63.627 27.383 21.307 1.00 1.00 H new ATOM 0 HB3 MET A 55 63.251 26.960 19.649 1.00 1.00 H new ATOM 0 HG2 MET A 55 62.230 25.320 21.085 1.00 1.00 H new ATOM 0 HG3 MET A 55 63.541 24.540 20.223 1.00 1.00 H new ATOM 0 HE1 MET A 55 63.422 22.632 23.526 1.00 1.00 H new ATOM 0 HE2 MET A 55 62.074 23.362 22.622 1.00 1.00 H new ATOM 0 HE3 MET A 55 63.411 22.578 21.747 1.00 1.00 H new ATOM 880 N ARG A 56 65.376 26.327 17.792 1.00 1.00 N ATOM 881 CA ARG A 56 65.440 25.634 16.539 1.00 1.00 C ATOM 882 C ARG A 56 66.824 25.669 15.973 1.00 1.00 C ATOM 883 O ARG A 56 67.091 25.166 14.883 1.00 1.00 O ATOM 884 CB ARG A 56 64.476 26.322 15.555 1.00 1.00 C ATOM 885 CG ARG A 56 64.570 27.852 15.579 1.00 1.00 C ATOM 886 CD ARG A 56 63.540 28.563 14.696 1.00 1.00 C ATOM 887 NE ARG A 56 63.590 30.005 15.071 1.00 1.00 N ATOM 888 CZ ARG A 56 62.889 30.549 16.099 1.00 1.00 C ATOM 889 NH1 ARG A 56 62.040 29.819 16.862 1.00 1.00 N ATOM 890 NH2 ARG A 56 63.053 31.858 16.408 1.00 1.00 N ATOM 0 H ARG A 56 65.153 27.315 17.675 1.00 1.00 H new ATOM 0 HA ARG A 56 65.162 24.592 16.696 1.00 1.00 H new ATOM 0 HB2 ARG A 56 64.686 25.968 14.546 1.00 1.00 H new ATOM 0 HB3 ARG A 56 63.454 26.025 15.791 1.00 1.00 H new ATOM 0 HG2 ARG A 56 64.449 28.195 16.606 1.00 1.00 H new ATOM 0 HG3 ARG A 56 65.570 28.148 15.260 1.00 1.00 H new ATOM 0 HD2 ARG A 56 63.774 28.428 13.640 1.00 1.00 H new ATOM 0 HD3 ARG A 56 62.542 28.154 14.856 1.00 1.00 H new ATOM 0 HE ARG A 56 64.188 30.622 14.521 1.00 1.00 H new ATOM 0 HH11 ARG A 56 61.910 28.825 16.672 1.00 1.00 H new ATOM 0 HH12 ARG A 56 61.531 30.263 17.626 1.00 1.00 H new ATOM 0 HH21 ARG A 56 63.702 32.432 15.869 1.00 1.00 H new ATOM 0 HH22 ARG A 56 62.528 32.270 17.180 1.00 1.00 H new ATOM 904 N GLN A 57 67.782 26.240 16.727 1.00 1.00 N ATOM 905 CA GLN A 57 69.171 26.188 16.384 1.00 1.00 C ATOM 906 C GLN A 57 69.912 25.184 17.211 1.00 1.00 C ATOM 907 O GLN A 57 71.020 24.802 16.840 1.00 1.00 O ATOM 908 CB GLN A 57 69.826 27.566 16.585 1.00 1.00 C ATOM 909 CG GLN A 57 69.555 28.510 15.407 1.00 1.00 C ATOM 910 CD GLN A 57 70.325 29.810 15.588 1.00 1.00 C ATOM 911 OE1 GLN A 57 71.552 29.824 15.684 1.00 1.00 O ATOM 912 NE2 GLN A 57 69.592 30.950 15.666 1.00 1.00 N ATOM 0 H GLN A 57 67.589 26.747 17.591 1.00 1.00 H new ATOM 0 HA GLN A 57 69.227 25.892 15.337 1.00 1.00 H new ATOM 0 HB2 GLN A 57 69.449 28.016 17.504 1.00 1.00 H new ATOM 0 HB3 GLN A 57 70.902 27.441 16.709 1.00 1.00 H new ATOM 0 HG2 GLN A 57 69.849 28.032 14.473 1.00 1.00 H new ATOM 0 HG3 GLN A 57 68.487 28.718 15.336 1.00 1.00 H new ATOM 0 HE21 GLN A 57 68.576 30.910 15.583 1.00 1.00 H new ATOM 0 HE22 GLN A 57 70.057 31.847 15.807 1.00 1.00 H new ATOM 921 N ILE A 58 69.344 24.680 18.323 1.00 1.00 N ATOM 922 CA ILE A 58 70.071 23.933 19.309 1.00 1.00 C ATOM 923 C ILE A 58 69.423 22.621 19.618 1.00 1.00 C ATOM 924 O ILE A 58 68.247 22.392 19.341 1.00 1.00 O ATOM 925 CB ILE A 58 70.299 24.690 20.593 1.00 1.00 C ATOM 926 CG1 ILE A 58 68.991 25.078 21.311 1.00 1.00 C ATOM 927 CG2 ILE A 58 71.175 25.922 20.295 1.00 1.00 C ATOM 928 CD1 ILE A 58 69.222 25.714 22.682 1.00 1.00 C ATOM 0 H ILE A 58 68.355 24.794 18.544 1.00 1.00 H new ATOM 0 HA ILE A 58 71.044 23.754 18.851 1.00 1.00 H new ATOM 0 HB ILE A 58 70.817 24.030 21.289 1.00 1.00 H new ATOM 0 HG12 ILE A 58 68.433 25.774 20.684 1.00 1.00 H new ATOM 0 HG13 ILE A 58 68.372 24.189 21.430 1.00 1.00 H new ATOM 0 HG21 ILE A 58 71.347 26.478 21.217 1.00 1.00 H new ATOM 0 HG22 ILE A 58 72.131 25.598 19.883 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.668 26.563 19.574 1.00 1.00 H new ATOM 0 HD11 ILE A 58 68.262 25.963 23.134 1.00 1.00 H new ATOM 0 HD12 ILE A 58 69.754 25.012 23.324 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.815 26.621 22.567 1.00 1.00 H new ATOM 940 N ARG A 59 70.205 21.685 20.188 1.00 1.00 N ATOM 941 CA ARG A 59 69.710 20.463 20.752 1.00 1.00 C ATOM 942 C ARG A 59 70.439 20.211 22.034 1.00 1.00 C ATOM 943 O ARG A 59 71.604 20.573 22.193 1.00 1.00 O ATOM 944 CB ARG A 59 69.909 19.264 19.803 1.00 1.00 C ATOM 945 CG ARG A 59 69.031 19.279 18.547 1.00 1.00 C ATOM 946 CD ARG A 59 67.527 19.108 18.782 1.00 1.00 C ATOM 947 NE ARG A 59 66.872 19.058 17.442 1.00 1.00 N ATOM 948 CZ ARG A 59 66.493 20.146 16.727 1.00 1.00 C ATOM 949 NH1 ARG A 59 66.731 21.422 17.113 1.00 1.00 N ATOM 950 NH2 ARG A 59 65.849 19.984 15.544 1.00 1.00 N ATOM 0 H ARG A 59 71.218 21.781 20.259 1.00 1.00 H new ATOM 0 HA ARG A 59 68.638 20.568 20.921 1.00 1.00 H new ATOM 0 HB2 ARG A 59 70.955 19.232 19.497 1.00 1.00 H new ATOM 0 HB3 ARG A 59 69.711 18.346 20.356 1.00 1.00 H new ATOM 0 HG2 ARG A 59 69.193 20.222 18.025 1.00 1.00 H new ATOM 0 HG3 ARG A 59 69.368 18.484 17.882 1.00 1.00 H new ATOM 0 HD2 ARG A 59 67.327 18.195 19.342 1.00 1.00 H new ATOM 0 HD3 ARG A 59 67.133 19.936 19.372 1.00 1.00 H new ATOM 0 HE ARG A 59 66.697 18.139 17.035 1.00 1.00 H new ATOM 0 HH11 ARG A 59 67.222 21.607 17.988 1.00 1.00 H new ATOM 0 HH12 ARG A 59 66.419 22.198 16.529 1.00 1.00 H new ATOM 0 HH21 ARG A 59 65.651 19.046 15.195 1.00 1.00 H new ATOM 0 HH22 ARG A 59 65.562 20.800 15.003 1.00 1.00 H new ATOM 964 N PHE A 60 69.752 19.583 23.007 1.00 1.00 N ATOM 965 CA PHE A 60 70.187 19.371 24.355 1.00 1.00 C ATOM 966 C PHE A 60 70.584 17.935 24.477 1.00 1.00 C ATOM 967 O PHE A 60 70.009 17.065 23.824 1.00 1.00 O ATOM 968 CB PHE A 60 69.041 19.634 25.352 1.00 1.00 C ATOM 969 CG PHE A 60 68.665 21.080 25.397 1.00 1.00 C ATOM 970 CD1 PHE A 60 67.879 21.653 24.411 1.00 1.00 C ATOM 971 CD2 PHE A 60 69.091 21.872 26.450 1.00 1.00 C ATOM 972 CE1 PHE A 60 67.530 22.990 24.468 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.746 23.209 26.517 1.00 1.00 C ATOM 974 CZ PHE A 60 67.965 23.770 25.524 1.00 1.00 C ATOM 0 H PHE A 60 68.824 19.195 22.838 1.00 1.00 H new ATOM 0 HA PHE A 60 71.011 20.048 24.579 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.171 19.041 25.070 1.00 1.00 H new ATOM 0 HB3 PHE A 60 69.342 19.306 26.347 1.00 1.00 H new ATOM 0 HD1 PHE A 60 67.534 21.047 23.586 1.00 1.00 H new ATOM 0 HD2 PHE A 60 69.701 21.439 27.229 1.00 1.00 H new ATOM 0 HE1 PHE A 60 66.919 23.424 23.690 1.00 1.00 H new ATOM 0 HE2 PHE A 60 69.086 23.814 27.344 1.00 1.00 H new ATOM 0 HZ PHE A 60 67.695 24.815 25.573 1.00 1.00 H new ATOM 984 N ARG A 61 71.621 17.620 25.273 1.00 1.00 N ATOM 985 CA ARG A 61 72.200 16.311 25.213 1.00 1.00 C ATOM 986 C ARG A 61 72.848 15.815 26.462 1.00 1.00 C ATOM 987 O ARG A 61 73.356 16.587 27.277 1.00 1.00 O ATOM 988 CB ARG A 61 73.230 16.344 24.061 1.00 1.00 C ATOM 989 CG ARG A 61 73.784 15.077 23.396 1.00 1.00 C ATOM 990 CD ARG A 61 74.885 14.272 24.094 1.00 1.00 C ATOM 991 NE ARG A 61 76.108 15.118 24.204 1.00 1.00 N ATOM 992 CZ ARG A 61 77.074 15.211 23.254 1.00 1.00 C ATOM 993 NH1 ARG A 61 76.959 14.616 22.042 1.00 1.00 N ATOM 994 NH2 ARG A 61 78.202 15.911 23.532 1.00 1.00 N ATOM 0 H ARG A 61 72.052 18.255 25.945 1.00 1.00 H new ATOM 0 HA ARG A 61 71.384 15.605 25.056 1.00 1.00 H new ATOM 0 HB2 ARG A 61 72.784 16.941 23.265 1.00 1.00 H new ATOM 0 HB3 ARG A 61 74.091 16.900 24.432 1.00 1.00 H new ATOM 0 HG2 ARG A 61 72.944 14.403 23.229 1.00 1.00 H new ATOM 0 HG3 ARG A 61 74.162 15.363 22.415 1.00 1.00 H new ATOM 0 HD2 ARG A 61 74.553 13.959 25.084 1.00 1.00 H new ATOM 0 HD3 ARG A 61 75.104 13.365 23.530 1.00 1.00 H new ATOM 0 HE ARG A 61 76.228 15.667 25.055 1.00 1.00 H new ATOM 0 HH11 ARG A 61 76.124 14.075 21.817 1.00 1.00 H new ATOM 0 HH12 ARG A 61 77.707 14.709 21.355 1.00 1.00 H new ATOM 0 HH21 ARG A 61 78.314 16.357 24.442 1.00 1.00 H new ATOM 0 HH22 ARG A 61 78.938 15.991 22.831 1.00 1.00 H new ATOM 1008 N PHE A 62 72.727 14.491 26.698 1.00 1.00 N ATOM 1009 CA PHE A 62 72.122 14.105 27.909 1.00 1.00 C ATOM 1010 C PHE A 62 73.288 13.285 28.370 1.00 1.00 C ATOM 1011 O PHE A 62 74.014 12.756 27.530 1.00 1.00 O ATOM 1012 CB PHE A 62 70.877 13.716 27.054 1.00 1.00 C ATOM 1013 CG PHE A 62 70.665 13.554 25.543 1.00 1.00 C ATOM 1014 CD1 PHE A 62 71.546 12.885 24.695 1.00 1.00 C ATOM 1015 CD2 PHE A 62 69.557 14.041 24.853 1.00 1.00 C ATOM 1016 CE1 PHE A 62 71.288 12.551 23.379 1.00 1.00 C ATOM 1017 CE2 PHE A 62 69.265 13.777 23.528 1.00 1.00 C ATOM 1018 CZ PHE A 62 70.127 12.998 22.783 1.00 1.00 C ATOM 0 H PHE A 62 73.033 13.738 26.081 1.00 1.00 H new ATOM 0 HA PHE A 62 71.775 14.548 28.842 1.00 1.00 H new ATOM 0 HB2 PHE A 62 70.568 12.755 27.465 1.00 1.00 H new ATOM 0 HB3 PHE A 62 70.122 14.445 27.347 1.00 1.00 H new ATOM 0 HD1 PHE A 62 72.508 12.605 25.099 1.00 1.00 H new ATOM 0 HD2 PHE A 62 68.872 14.675 25.396 1.00 1.00 H new ATOM 0 HE1 PHE A 62 71.989 11.946 22.823 1.00 1.00 H new ATOM 0 HE2 PHE A 62 68.368 14.178 23.079 1.00 1.00 H new ATOM 0 HZ PHE A 62 69.898 12.745 21.758 1.00 1.00 H new ATOM 1028 N ASP A 63 73.642 13.261 29.670 1.00 1.00 N ATOM 1029 CA ASP A 63 74.944 12.867 30.137 1.00 1.00 C ATOM 1030 C ASP A 63 75.267 11.409 29.991 1.00 1.00 C ATOM 1031 O ASP A 63 75.223 10.619 30.933 1.00 1.00 O ATOM 1032 CB ASP A 63 75.131 13.351 31.589 1.00 1.00 C ATOM 1033 CG ASP A 63 76.570 13.323 32.078 1.00 1.00 C ATOM 1034 OD1 ASP A 63 77.526 13.332 31.260 1.00 1.00 O ATOM 1035 OD2 ASP A 63 76.751 13.347 33.326 1.00 1.00 O ATOM 0 H ASP A 63 73.005 13.523 30.422 1.00 1.00 H new ATOM 0 HA ASP A 63 75.664 13.353 29.479 1.00 1.00 H new ATOM 0 HB2 ASP A 63 74.751 14.369 31.672 1.00 1.00 H new ATOM 0 HB3 ASP A 63 74.524 12.730 32.248 1.00 1.00 H new ATOM 1040 N GLY A 64 75.546 11.007 28.736 1.00 1.00 N ATOM 1041 CA GLY A 64 75.494 9.674 28.212 1.00 1.00 C ATOM 1042 C GLY A 64 74.093 9.223 27.950 1.00 1.00 C ATOM 1043 O GLY A 64 73.861 8.053 27.648 1.00 1.00 O ATOM 0 H GLY A 64 75.834 11.678 28.024 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.068 9.627 27.286 1.00 1.00 H new ATOM 0 HA3 GLY A 64 75.968 8.990 28.916 1.00 1.00 H new ATOM 1047 N GLN A 65 73.089 10.100 28.144 1.00 1.00 N ATOM 1048 CA GLN A 65 71.725 9.742 28.371 1.00 1.00 C ATOM 1049 C GLN A 65 71.077 10.499 27.258 1.00 1.00 C ATOM 1050 O GLN A 65 71.785 11.405 26.805 1.00 1.00 O ATOM 1051 CB GLN A 65 71.320 10.093 29.815 1.00 1.00 C ATOM 1052 CG GLN A 65 72.106 9.186 30.773 1.00 1.00 C ATOM 1053 CD GLN A 65 71.941 9.497 32.255 1.00 1.00 C ATOM 1054 OE1 GLN A 65 70.990 9.075 32.914 1.00 1.00 O ATOM 1055 NE2 GLN A 65 72.934 10.231 32.823 1.00 1.00 N ATOM 0 H GLN A 65 73.239 11.109 28.142 1.00 1.00 H new ATOM 0 HA GLN A 65 71.449 8.688 28.335 1.00 1.00 H new ATOM 0 HB2 GLN A 65 71.533 11.141 30.025 1.00 1.00 H new ATOM 0 HB3 GLN A 65 70.248 9.952 29.953 1.00 1.00 H new ATOM 0 HG2 GLN A 65 71.801 8.154 30.600 1.00 1.00 H new ATOM 0 HG3 GLN A 65 73.165 9.252 30.522 1.00 1.00 H new ATOM 0 HE21 GLN A 65 73.710 10.567 32.252 1.00 1.00 H new ATOM 0 HE22 GLN A 65 72.904 10.445 33.820 1.00 1.00 H new ATOM 1064 N PRO A 66 69.938 10.086 26.748 1.00 1.00 N ATOM 1065 CA PRO A 66 68.908 10.937 26.200 1.00 1.00 C ATOM 1066 C PRO A 66 68.114 11.746 27.191 1.00 1.00 C ATOM 1067 O PRO A 66 67.705 11.207 28.218 1.00 1.00 O ATOM 1068 CB PRO A 66 67.996 9.958 25.463 1.00 1.00 C ATOM 1069 CG PRO A 66 68.035 8.690 26.326 1.00 1.00 C ATOM 1070 CD PRO A 66 69.453 8.719 26.911 1.00 1.00 C ATOM 0 HA PRO A 66 69.366 11.709 25.582 1.00 1.00 H new ATOM 0 HB2 PRO A 66 66.982 10.348 25.373 1.00 1.00 H new ATOM 0 HB3 PRO A 66 68.354 9.763 24.452 1.00 1.00 H new ATOM 0 HG2 PRO A 66 67.275 8.709 27.107 1.00 1.00 H new ATOM 0 HG3 PRO A 66 67.860 7.792 25.733 1.00 1.00 H new ATOM 0 HD2 PRO A 66 69.445 8.432 27.963 1.00 1.00 H new ATOM 0 HD3 PRO A 66 70.101 8.012 26.393 1.00 1.00 H new ATOM 1078 N ILE A 67 67.838 13.046 26.952 1.00 1.00 N ATOM 1079 CA ILE A 67 66.956 13.895 27.708 1.00 1.00 C ATOM 1080 C ILE A 67 65.835 14.342 26.824 1.00 1.00 C ATOM 1081 O ILE A 67 66.044 14.808 25.704 1.00 1.00 O ATOM 1082 CB ILE A 67 67.613 15.086 28.370 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.319 16.112 27.459 1.00 1.00 C ATOM 1084 CG2 ILE A 67 68.599 14.514 29.402 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.238 17.123 28.144 1.00 1.00 C ATOM 0 H ILE A 67 68.265 13.542 26.169 1.00 1.00 H new ATOM 0 HA ILE A 67 66.592 13.289 28.537 1.00 1.00 H new ATOM 0 HB ILE A 67 66.810 15.684 28.801 1.00 1.00 H new ATOM 0 HG12 ILE A 67 68.906 15.564 26.721 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.554 16.664 26.912 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.105 15.332 29.914 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.055 13.912 30.130 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.336 13.892 28.895 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.672 17.786 27.395 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.663 17.711 28.860 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.036 16.594 28.666 1.00 1.00 H new ATOM 1097 N ASN A 68 64.576 14.147 27.260 1.00 1.00 N ATOM 1098 CA ASN A 68 63.387 14.593 26.592 1.00 1.00 C ATOM 1099 C ASN A 68 62.734 15.652 27.426 1.00 1.00 C ATOM 1100 O ASN A 68 62.952 15.694 28.634 1.00 1.00 O ATOM 1101 CB ASN A 68 62.388 13.440 26.374 1.00 1.00 C ATOM 1102 CG ASN A 68 63.021 12.305 25.581 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.038 12.304 24.350 1.00 1.00 O ATOM 1104 ND2 ASN A 68 63.546 11.279 26.299 1.00 1.00 N ATOM 0 H ASN A 68 64.375 13.650 28.128 1.00 1.00 H new ATOM 0 HA ASN A 68 63.671 14.984 25.615 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.045 13.066 27.338 1.00 1.00 H new ATOM 0 HB3 ASN A 68 61.510 13.811 25.845 1.00 1.00 H new ATOM 0 HD21 ASN A 68 63.967 10.484 25.819 1.00 1.00 H new ATOM 0 HD22 ASN A 68 63.519 11.304 27.318 1.00 1.00 H new ATOM 1111 N GLU A 69 61.871 16.534 26.890 1.00 1.00 N ATOM 1112 CA GLU A 69 61.260 17.602 27.634 1.00 1.00 C ATOM 1113 C GLU A 69 60.415 17.214 28.810 1.00 1.00 C ATOM 1114 O GLU A 69 60.246 17.992 29.749 1.00 1.00 O ATOM 1115 CB GLU A 69 60.425 18.490 26.693 1.00 1.00 C ATOM 1116 CG GLU A 69 61.301 19.493 25.931 1.00 1.00 C ATOM 1117 CD GLU A 69 60.613 20.006 24.677 1.00 1.00 C ATOM 1118 OE1 GLU A 69 60.563 19.255 23.667 1.00 1.00 O ATOM 1119 OE2 GLU A 69 60.082 21.148 24.697 1.00 1.00 O ATOM 0 H GLU A 69 61.587 16.507 25.911 1.00 1.00 H new ATOM 0 HA GLU A 69 62.110 18.132 28.063 1.00 1.00 H new ATOM 0 HB2 GLU A 69 59.888 17.862 25.982 1.00 1.00 H new ATOM 0 HB3 GLU A 69 59.675 19.029 27.272 1.00 1.00 H new ATOM 0 HG2 GLU A 69 61.542 20.333 26.582 1.00 1.00 H new ATOM 0 HG3 GLU A 69 62.244 19.019 25.660 1.00 1.00 H new ATOM 1126 N THR A 70 59.849 15.993 28.821 1.00 1.00 N ATOM 1127 CA THR A 70 59.050 15.496 29.907 1.00 1.00 C ATOM 1128 C THR A 70 59.883 14.733 30.893 1.00 1.00 C ATOM 1129 O THR A 70 59.406 14.321 31.950 1.00 1.00 O ATOM 1130 CB THR A 70 57.900 14.648 29.425 1.00 1.00 C ATOM 1131 OG1 THR A 70 57.274 15.242 28.296 1.00 1.00 O ATOM 1132 CG2 THR A 70 56.784 14.521 30.476 1.00 1.00 C ATOM 0 H THR A 70 59.948 15.329 28.053 1.00 1.00 H new ATOM 0 HA THR A 70 58.631 16.368 30.409 1.00 1.00 H new ATOM 0 HB THR A 70 58.337 13.675 29.199 1.00 1.00 H new ATOM 0 HG1 THR A 70 56.532 14.676 27.998 1.00 1.00 H new ATOM 0 HG21 THR A 70 55.980 13.901 30.080 1.00 1.00 H new ATOM 0 HG22 THR A 70 57.185 14.061 31.379 1.00 1.00 H new ATOM 0 HG23 THR A 70 56.395 15.511 30.715 1.00 1.00 H new ATOM 1140 N ASP A 71 61.198 14.561 30.651 1.00 1.00 N ATOM 1141 CA ASP A 71 62.122 13.997 31.589 1.00 1.00 C ATOM 1142 C ASP A 71 62.434 14.944 32.708 1.00 1.00 C ATOM 1143 O ASP A 71 62.027 16.105 32.737 1.00 1.00 O ATOM 1144 CB ASP A 71 63.414 13.522 30.897 1.00 1.00 C ATOM 1145 CG ASP A 71 63.190 12.327 29.985 1.00 1.00 C ATOM 1146 OD1 ASP A 71 62.218 11.550 30.178 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.036 12.124 29.074 1.00 1.00 O ATOM 0 H ASP A 71 61.634 14.825 29.767 1.00 1.00 H new ATOM 0 HA ASP A 71 61.634 13.125 32.024 1.00 1.00 H new ATOM 0 HB2 ASP A 71 63.832 14.344 30.315 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.152 13.261 31.656 1.00 1.00 H new ATOM 1152 N THR A 72 63.156 14.457 33.732 1.00 1.00 N ATOM 1153 CA THR A 72 63.216 15.111 35.011 1.00 1.00 C ATOM 1154 C THR A 72 64.571 14.908 35.610 1.00 1.00 C ATOM 1155 O THR A 72 65.225 13.914 35.297 1.00 1.00 O ATOM 1156 CB THR A 72 62.181 14.712 36.038 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.279 13.361 36.468 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.759 14.899 35.485 1.00 1.00 C ATOM 0 H THR A 72 63.706 13.600 33.677 1.00 1.00 H new ATOM 0 HA THR A 72 62.997 16.153 34.779 1.00 1.00 H new ATOM 0 HB THR A 72 62.379 15.364 36.888 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.581 13.177 37.131 1.00 1.00 H new ATOM 0 HG21 THR A 72 60.032 14.605 36.243 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.606 15.946 35.222 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.629 14.279 34.598 1.00 1.00 H new ATOM 1166 N PRO A 73 65.049 15.765 36.476 1.00 1.00 N ATOM 1167 CA PRO A 73 66.245 15.530 37.242 1.00 1.00 C ATOM 1168 C PRO A 73 66.245 14.307 38.102 1.00 1.00 C ATOM 1169 O PRO A 73 67.313 13.737 38.313 1.00 1.00 O ATOM 1170 CB PRO A 73 66.376 16.787 38.101 1.00 1.00 C ATOM 1171 CG PRO A 73 65.830 17.887 37.184 1.00 1.00 C ATOM 1172 CD PRO A 73 64.635 17.162 36.555 1.00 1.00 C ATOM 0 HA PRO A 73 67.078 15.342 36.565 1.00 1.00 H new ATOM 0 HB2 PRO A 73 65.801 16.708 39.023 1.00 1.00 H new ATOM 0 HB3 PRO A 73 67.411 16.975 38.386 1.00 1.00 H new ATOM 0 HG2 PRO A 73 65.530 18.777 37.738 1.00 1.00 H new ATOM 0 HG3 PRO A 73 66.560 18.206 36.440 1.00 1.00 H new ATOM 0 HD2 PRO A 73 63.738 17.275 37.164 1.00 1.00 H new ATOM 0 HD3 PRO A 73 64.403 17.563 35.568 1.00 1.00 H new ATOM 1180 N ALA A 74 65.088 13.877 38.636 1.00 1.00 N ATOM 1181 CA ALA A 74 64.954 12.666 39.392 1.00 1.00 C ATOM 1182 C ALA A 74 65.231 11.425 38.604 1.00 1.00 C ATOM 1183 O ALA A 74 65.944 10.519 39.035 1.00 1.00 O ATOM 1184 CB ALA A 74 63.511 12.585 39.919 1.00 1.00 C ATOM 0 H ALA A 74 64.212 14.390 38.539 1.00 1.00 H new ATOM 0 HA ALA A 74 65.694 12.708 40.191 1.00 1.00 H new ATOM 0 HB1 ALA A 74 63.386 11.670 40.498 1.00 1.00 H new ATOM 0 HB2 ALA A 74 63.307 13.447 40.554 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.817 12.580 39.079 1.00 1.00 H new ATOM 1190 N GLN A 75 64.675 11.357 37.382 1.00 1.00 N ATOM 1191 CA GLN A 75 64.806 10.250 36.480 1.00 1.00 C ATOM 1192 C GLN A 75 66.152 10.170 35.833 1.00 1.00 C ATOM 1193 O GLN A 75 66.742 9.097 35.722 1.00 1.00 O ATOM 1194 CB GLN A 75 63.687 10.339 35.425 1.00 1.00 C ATOM 1195 CG GLN A 75 62.318 9.904 35.965 1.00 1.00 C ATOM 1196 CD GLN A 75 62.296 8.422 36.321 1.00 1.00 C ATOM 1197 OE1 GLN A 75 62.299 8.020 37.485 1.00 1.00 O ATOM 1198 NE2 GLN A 75 62.274 7.557 35.275 1.00 1.00 N ATOM 0 H GLN A 75 64.104 12.112 37.001 1.00 1.00 H new ATOM 0 HA GLN A 75 64.709 9.331 37.058 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.619 11.364 35.061 1.00 1.00 H new ATOM 0 HB3 GLN A 75 63.950 9.715 34.571 1.00 1.00 H new ATOM 0 HG2 GLN A 75 62.071 10.494 36.848 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.551 10.110 35.219 1.00 1.00 H new ATOM 0 HE21 GLN A 75 62.272 7.913 34.319 1.00 1.00 H new ATOM 0 HE22 GLN A 75 62.260 6.551 35.445 1.00 1.00 H new ATOM 1207 N LEU A 76 66.716 11.321 35.422 1.00 1.00 N ATOM 1208 CA LEU A 76 68.018 11.392 34.825 1.00 1.00 C ATOM 1209 C LEU A 76 69.122 11.369 35.841 1.00 1.00 C ATOM 1210 O LEU A 76 70.303 11.241 35.521 1.00 1.00 O ATOM 1211 CB LEU A 76 68.023 12.676 33.973 1.00 1.00 C ATOM 1212 CG LEU A 76 68.827 12.679 32.659 1.00 1.00 C ATOM 1213 CD1 LEU A 76 70.354 12.729 32.830 1.00 1.00 C ATOM 1214 CD2 LEU A 76 68.412 11.537 31.715 1.00 1.00 C ATOM 0 H LEU A 76 66.256 12.227 35.506 1.00 1.00 H new ATOM 0 HA LEU A 76 68.211 10.515 34.208 1.00 1.00 H new ATOM 0 HB2 LEU A 76 66.988 12.917 33.730 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.401 13.487 34.596 1.00 1.00 H new ATOM 0 HG LEU A 76 68.559 13.627 32.192 1.00 1.00 H new ATOM 0 HD11 LEU A 76 70.830 12.727 31.850 1.00 1.00 H new ATOM 0 HD12 LEU A 76 70.631 13.637 33.366 1.00 1.00 H new ATOM 0 HD13 LEU A 76 70.685 11.858 33.396 1.00 1.00 H new ATOM 0 HD21 LEU A 76 69.008 11.583 30.804 1.00 1.00 H new ATOM 0 HD22 LEU A 76 68.577 10.579 32.208 1.00 1.00 H new ATOM 0 HD23 LEU A 76 67.356 11.638 31.464 1.00 1.00 H new ATOM 1226 N GLU A 77 68.783 11.464 37.140 1.00 1.00 N ATOM 1227 CA GLU A 77 69.684 11.420 38.257 1.00 1.00 C ATOM 1228 C GLU A 77 70.656 12.559 38.314 1.00 1.00 C ATOM 1229 O GLU A 77 71.864 12.398 38.487 1.00 1.00 O ATOM 1230 CB GLU A 77 70.332 10.042 38.497 1.00 1.00 C ATOM 1231 CG GLU A 77 69.350 8.959 38.969 1.00 1.00 C ATOM 1232 CD GLU A 77 69.004 9.002 40.451 1.00 1.00 C ATOM 1233 OE1 GLU A 77 69.461 9.910 41.196 1.00 1.00 O ATOM 1234 OE2 GLU A 77 68.278 8.083 40.916 1.00 1.00 O ATOM 0 H GLU A 77 67.812 11.580 37.432 1.00 1.00 H new ATOM 0 HA GLU A 77 69.033 11.572 39.118 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.806 9.710 37.573 1.00 1.00 H new ATOM 0 HB3 GLU A 77 71.122 10.149 39.240 1.00 1.00 H new ATOM 0 HG2 GLU A 77 68.429 9.051 38.394 1.00 1.00 H new ATOM 0 HG3 GLU A 77 69.774 7.981 38.739 1.00 1.00 H new ATOM 1241 N MET A 78 70.135 13.788 38.153 1.00 1.00 N ATOM 1242 CA MET A 78 70.815 15.040 38.304 1.00 1.00 C ATOM 1243 C MET A 78 70.885 15.444 39.744 1.00 1.00 C ATOM 1244 O MET A 78 70.093 15.004 40.578 1.00 1.00 O ATOM 1245 CB MET A 78 70.112 16.128 37.476 1.00 1.00 C ATOM 1246 CG MET A 78 70.162 15.884 35.964 1.00 1.00 C ATOM 1247 SD MET A 78 69.205 17.114 35.031 1.00 1.00 S ATOM 1248 CE MET A 78 69.564 16.374 33.413 1.00 1.00 C ATOM 0 H MET A 78 69.156 13.917 37.896 1.00 1.00 H new ATOM 0 HA MET A 78 71.835 14.921 37.938 1.00 1.00 H new ATOM 0 HB2 MET A 78 69.070 16.194 37.790 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.572 17.092 37.694 1.00 1.00 H new ATOM 0 HG2 MET A 78 71.199 15.905 35.630 1.00 1.00 H new ATOM 0 HG3 MET A 78 69.777 14.888 35.747 1.00 1.00 H new ATOM 0 HE1 MET A 78 69.048 16.935 32.634 1.00 1.00 H new ATOM 0 HE2 MET A 78 70.638 16.402 33.230 1.00 1.00 H new ATOM 0 HE3 MET A 78 69.221 15.339 33.402 1.00 1.00 H new ATOM 1258 N GLU A 79 71.894 16.255 40.106 1.00 1.00 N ATOM 1259 CA GLU A 79 72.296 16.481 41.464 1.00 1.00 C ATOM 1260 C GLU A 79 72.298 17.948 41.743 1.00 1.00 C ATOM 1261 O GLU A 79 71.951 18.760 40.887 1.00 1.00 O ATOM 1262 CB GLU A 79 73.694 15.881 41.709 1.00 1.00 C ATOM 1263 CG GLU A 79 73.710 14.351 41.591 1.00 1.00 C ATOM 1264 CD GLU A 79 75.119 13.808 41.746 1.00 1.00 C ATOM 1265 OE1 GLU A 79 75.673 13.848 42.876 1.00 1.00 O ATOM 1266 OE2 GLU A 79 75.693 13.350 40.722 1.00 1.00 O ATOM 0 H GLU A 79 72.453 16.774 39.429 1.00 1.00 H new ATOM 0 HA GLU A 79 71.592 15.993 42.138 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.397 16.304 40.992 1.00 1.00 H new ATOM 0 HB3 GLU A 79 74.040 16.169 42.702 1.00 1.00 H new ATOM 0 HG2 GLU A 79 73.063 13.917 42.354 1.00 1.00 H new ATOM 0 HG3 GLU A 79 73.306 14.053 40.623 1.00 1.00 H new ATOM 1273 N ASP A 80 72.674 18.340 42.974 1.00 1.00 N ATOM 1274 CA ASP A 80 72.650 19.677 43.495 1.00 1.00 C ATOM 1275 C ASP A 80 73.363 20.734 42.705 1.00 1.00 C ATOM 1276 O ASP A 80 72.983 21.902 42.775 1.00 1.00 O ATOM 1277 CB ASP A 80 72.864 19.696 45.022 1.00 1.00 C ATOM 1278 CG ASP A 80 74.248 19.263 45.467 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.616 18.073 45.282 1.00 1.00 O ATOM 1280 OD2 ASP A 80 74.971 20.111 46.052 1.00 1.00 O ATOM 0 H ASP A 80 73.022 17.670 43.660 1.00 1.00 H new ATOM 0 HA ASP A 80 71.630 20.024 43.332 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.676 20.705 45.390 1.00 1.00 H new ATOM 0 HB3 ASP A 80 72.125 19.044 45.488 1.00 1.00 H new ATOM 1285 N GLU A 81 74.391 20.365 41.918 1.00 1.00 N ATOM 1286 CA GLU A 81 74.850 21.146 40.803 1.00 1.00 C ATOM 1287 C GLU A 81 75.110 20.285 39.603 1.00 1.00 C ATOM 1288 O GLU A 81 76.229 19.806 39.425 1.00 1.00 O ATOM 1289 CB GLU A 81 76.134 21.955 41.077 1.00 1.00 C ATOM 1290 CG GLU A 81 76.026 22.986 42.207 1.00 1.00 C ATOM 1291 CD GLU A 81 77.226 23.917 42.219 1.00 1.00 C ATOM 1292 OE1 GLU A 81 77.236 24.892 41.419 1.00 1.00 O ATOM 1293 OE2 GLU A 81 78.177 23.686 43.012 1.00 1.00 O ATOM 0 H GLU A 81 74.918 19.503 42.058 1.00 1.00 H new ATOM 0 HA GLU A 81 74.037 21.849 40.621 1.00 1.00 H new ATOM 0 HB2 GLU A 81 76.938 21.260 41.317 1.00 1.00 H new ATOM 0 HB3 GLU A 81 76.421 22.472 40.161 1.00 1.00 H new ATOM 0 HG2 GLU A 81 75.112 23.568 42.086 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.952 22.472 43.165 1.00 1.00 H new ATOM 1300 N ASP A 82 74.116 20.044 38.723 1.00 1.00 N ATOM 1301 CA ASP A 82 74.275 19.250 37.534 1.00 1.00 C ATOM 1302 C ASP A 82 74.676 19.977 36.285 1.00 1.00 C ATOM 1303 O ASP A 82 74.682 21.206 36.241 1.00 1.00 O ATOM 1304 CB ASP A 82 73.053 18.364 37.216 1.00 1.00 C ATOM 1305 CG ASP A 82 73.589 16.952 37.051 1.00 1.00 C ATOM 1306 OD1 ASP A 82 73.954 16.563 35.911 1.00 1.00 O ATOM 1307 OD2 ASP A 82 73.818 16.269 38.083 1.00 1.00 O ATOM 0 H ASP A 82 73.172 20.412 38.841 1.00 1.00 H new ATOM 0 HA ASP A 82 75.126 18.631 37.818 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.318 18.411 38.020 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.554 18.700 36.307 1.00 1.00 H new ATOM 1312 N THR A 83 75.016 19.218 35.224 1.00 1.00 N ATOM 1313 CA THR A 83 75.481 19.726 33.961 1.00 1.00 C ATOM 1314 C THR A 83 74.838 19.038 32.795 1.00 1.00 C ATOM 1315 O THR A 83 74.986 17.830 32.606 1.00 1.00 O ATOM 1316 CB THR A 83 76.970 19.613 33.748 1.00 1.00 C ATOM 1317 OG1 THR A 83 77.698 19.999 34.905 1.00 1.00 O ATOM 1318 CG2 THR A 83 77.431 20.545 32.615 1.00 1.00 C ATOM 0 H THR A 83 74.965 18.200 35.246 1.00 1.00 H new ATOM 0 HA THR A 83 75.202 20.779 34.010 1.00 1.00 H new ATOM 0 HB THR A 83 77.162 18.567 33.508 1.00 1.00 H new ATOM 0 HG1 THR A 83 78.659 19.912 34.731 1.00 1.00 H new ATOM 0 HG21 THR A 83 78.508 20.447 32.479 1.00 1.00 H new ATOM 0 HG22 THR A 83 76.922 20.273 31.690 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.190 21.577 32.872 1.00 1.00 H new ATOM 1326 N ILE A 84 74.146 19.808 31.934 1.00 1.00 N ATOM 1327 CA ILE A 84 73.482 19.456 30.709 1.00 1.00 C ATOM 1328 C ILE A 84 74.246 20.056 29.571 1.00 1.00 C ATOM 1329 O ILE A 84 74.741 21.177 29.690 1.00 1.00 O ATOM 1330 CB ILE A 84 72.045 19.911 30.644 1.00 1.00 C ATOM 1331 CG1 ILE A 84 71.219 19.165 31.710 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.427 19.704 29.246 1.00 1.00 C ATOM 1333 CD1 ILE A 84 69.789 19.689 31.846 1.00 1.00 C ATOM 0 H ILE A 84 74.040 20.805 32.123 1.00 1.00 H new ATOM 0 HA ILE A 84 73.459 18.368 30.653 1.00 1.00 H new ATOM 0 HB ILE A 84 72.027 20.982 30.844 1.00 1.00 H new ATOM 0 HG12 ILE A 84 71.187 18.105 31.458 1.00 1.00 H new ATOM 0 HG13 ILE A 84 71.722 19.249 32.673 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.392 20.047 29.251 1.00 1.00 H new ATOM 0 HG22 ILE A 84 71.994 20.273 28.510 1.00 1.00 H new ATOM 0 HG23 ILE A 84 71.457 18.645 28.988 1.00 1.00 H new ATOM 0 HD11 ILE A 84 69.264 19.120 32.613 1.00 1.00 H new ATOM 0 HD12 ILE A 84 69.812 20.742 32.128 1.00 1.00 H new ATOM 0 HD13 ILE A 84 69.269 19.580 30.894 1.00 1.00 H new ATOM 1345 N ASP A 85 74.411 19.366 28.425 1.00 1.00 N ATOM 1346 CA ASP A 85 75.232 19.884 27.369 1.00 1.00 C ATOM 1347 C ASP A 85 74.353 20.260 26.219 1.00 1.00 C ATOM 1348 O ASP A 85 73.305 19.661 25.981 1.00 1.00 O ATOM 1349 CB ASP A 85 76.158 18.786 26.813 1.00 1.00 C ATOM 1350 CG ASP A 85 77.269 18.455 27.790 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.312 19.159 27.764 1.00 1.00 O ATOM 1352 OD2 ASP A 85 77.154 17.439 28.527 1.00 1.00 O ATOM 0 H ASP A 85 73.982 18.461 28.230 1.00 1.00 H new ATOM 0 HA ASP A 85 75.802 20.722 27.770 1.00 1.00 H new ATOM 0 HB2 ASP A 85 75.576 17.889 26.603 1.00 1.00 H new ATOM 0 HB3 ASP A 85 76.589 19.115 25.867 1.00 1.00 H new ATOM 1357 N VAL A 86 74.731 21.318 25.484 1.00 1.00 N ATOM 1358 CA VAL A 86 74.030 21.777 24.317 1.00 1.00 C ATOM 1359 C VAL A 86 74.960 21.747 23.149 1.00 1.00 C ATOM 1360 O VAL A 86 76.144 22.060 23.268 1.00 1.00 O ATOM 1361 CB VAL A 86 73.403 23.130 24.531 1.00 1.00 C ATOM 1362 CG1 VAL A 86 73.144 23.928 23.239 1.00 1.00 C ATOM 1363 CG2 VAL A 86 72.058 22.880 25.232 1.00 1.00 C ATOM 0 H VAL A 86 75.554 21.878 25.706 1.00 1.00 H new ATOM 0 HA VAL A 86 73.196 21.106 24.110 1.00 1.00 H new ATOM 0 HB VAL A 86 74.099 23.733 25.114 1.00 1.00 H new ATOM 0 HG11 VAL A 86 72.692 24.888 23.489 1.00 1.00 H new ATOM 0 HG12 VAL A 86 74.088 24.096 22.720 1.00 1.00 H new ATOM 0 HG13 VAL A 86 72.469 23.366 22.593 1.00 1.00 H new ATOM 0 HG21 VAL A 86 71.559 23.832 25.412 1.00 1.00 H new ATOM 0 HG22 VAL A 86 71.429 22.254 24.599 1.00 1.00 H new ATOM 0 HG23 VAL A 86 72.231 22.376 26.183 1.00 1.00 H new ATOM 1373 N PHE A 87 74.462 21.323 21.972 1.00 1.00 N ATOM 1374 CA PHE A 87 75.148 21.583 20.738 1.00 1.00 C ATOM 1375 C PHE A 87 74.231 22.203 19.731 1.00 1.00 C ATOM 1376 O PHE A 87 73.050 21.869 19.637 1.00 1.00 O ATOM 1377 CB PHE A 87 75.802 20.322 20.139 1.00 1.00 C ATOM 1378 CG PHE A 87 76.931 20.668 19.221 1.00 1.00 C ATOM 1379 CD1 PHE A 87 78.011 21.401 19.684 1.00 1.00 C ATOM 1380 CD2 PHE A 87 76.902 20.290 17.890 1.00 1.00 C ATOM 1381 CE1 PHE A 87 79.030 21.776 18.826 1.00 1.00 C ATOM 1382 CE2 PHE A 87 77.918 20.658 17.027 1.00 1.00 C ATOM 1383 CZ PHE A 87 78.982 21.407 17.496 1.00 1.00 C ATOM 0 H PHE A 87 73.590 20.803 21.872 1.00 1.00 H new ATOM 0 HA PHE A 87 75.947 22.284 20.980 1.00 1.00 H new ATOM 0 HB2 PHE A 87 76.169 19.685 20.944 1.00 1.00 H new ATOM 0 HB3 PHE A 87 75.053 19.747 19.594 1.00 1.00 H new ATOM 0 HD1 PHE A 87 78.058 21.683 20.725 1.00 1.00 H new ATOM 0 HD2 PHE A 87 76.076 19.700 17.521 1.00 1.00 H new ATOM 0 HE1 PHE A 87 79.862 22.357 19.196 1.00 1.00 H new ATOM 0 HE2 PHE A 87 77.881 20.361 15.989 1.00 1.00 H new ATOM 0 HZ PHE A 87 79.774 21.703 16.824 1.00 1.00 H new ATOM 1393 N GLN A 88 74.747 23.143 18.917 1.00 1.00 N ATOM 1394 CA GLN A 88 73.978 23.797 17.897 1.00 1.00 C ATOM 1395 C GLN A 88 73.975 23.045 16.602 1.00 1.00 C ATOM 1396 O GLN A 88 75.004 22.625 16.074 1.00 1.00 O ATOM 1397 CB GLN A 88 74.361 25.277 17.706 1.00 1.00 C ATOM 1398 CG GLN A 88 75.806 25.557 17.273 1.00 1.00 C ATOM 1399 CD GLN A 88 76.015 27.046 17.022 1.00 1.00 C ATOM 1400 OE1 GLN A 88 75.230 27.892 17.454 1.00 1.00 O ATOM 1401 NE2 GLN A 88 77.100 27.383 16.279 1.00 1.00 N ATOM 0 H GLN A 88 75.716 23.456 18.967 1.00 1.00 H new ATOM 0 HA GLN A 88 72.951 23.793 18.262 1.00 1.00 H new ATOM 0 HB2 GLN A 88 73.692 25.710 16.963 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.178 25.801 18.644 1.00 1.00 H new ATOM 0 HG2 GLN A 88 76.495 25.213 18.044 1.00 1.00 H new ATOM 0 HG3 GLN A 88 76.035 24.995 16.368 1.00 1.00 H new ATOM 0 HE21 GLN A 88 77.730 26.657 15.937 1.00 1.00 H new ATOM 0 HE22 GLN A 88 77.286 28.362 16.063 1.00 1.00 H new ATOM 1410 N GLN A 89 72.773 22.833 16.036 1.00 1.00 N ATOM 1411 CA GLN A 89 72.551 22.123 14.810 1.00 1.00 C ATOM 1412 C GLN A 89 72.303 23.068 13.676 1.00 1.00 C ATOM 1413 O GLN A 89 72.499 22.732 12.509 1.00 1.00 O ATOM 1414 CB GLN A 89 71.280 21.262 14.949 1.00 1.00 C ATOM 1415 CG GLN A 89 71.293 20.265 16.115 1.00 1.00 C ATOM 1416 CD GLN A 89 72.370 19.197 15.977 1.00 1.00 C ATOM 1417 OE1 GLN A 89 72.246 18.279 15.166 1.00 1.00 O ATOM 1418 NE2 GLN A 89 73.441 19.299 16.807 1.00 1.00 N ATOM 0 H GLN A 89 71.908 23.175 16.455 1.00 1.00 H new ATOM 0 HA GLN A 89 73.437 21.521 14.611 1.00 1.00 H new ATOM 0 HB2 GLN A 89 70.422 21.924 15.067 1.00 1.00 H new ATOM 0 HB3 GLN A 89 71.131 20.710 14.021 1.00 1.00 H new ATOM 0 HG2 GLN A 89 71.446 20.808 17.048 1.00 1.00 H new ATOM 0 HG3 GLN A 89 70.318 19.782 16.183 1.00 1.00 H new ATOM 0 HE21 GLN A 89 73.504 20.076 17.465 1.00 1.00 H new ATOM 0 HE22 GLN A 89 74.182 18.598 16.772 1.00 1.00 H new ATOM 1481 N VAL B 966 72.339 31.934 38.808 1.00 1.00 N ATOM 1482 CA VAL B 966 71.774 32.811 37.819 1.00 1.00 C ATOM 1483 C VAL B 966 70.299 33.015 37.958 1.00 1.00 C ATOM 1484 O VAL B 966 69.765 34.117 38.066 1.00 1.00 O ATOM 1485 CB VAL B 966 71.998 32.305 36.415 1.00 1.00 C ATOM 1486 CG1 VAL B 966 71.602 33.385 35.397 1.00 1.00 C ATOM 1487 CG2 VAL B 966 73.445 31.870 36.135 1.00 1.00 C ATOM 0 HA VAL B 966 72.292 33.754 37.993 1.00 1.00 H new ATOM 0 HB VAL B 966 71.370 31.420 36.315 1.00 1.00 H new ATOM 0 HG11 VAL B 966 71.767 33.011 34.387 1.00 1.00 H new ATOM 0 HG12 VAL B 966 70.549 33.636 35.524 1.00 1.00 H new ATOM 0 HG13 VAL B 966 72.209 34.276 35.557 1.00 1.00 H new ATOM 0 HG21 VAL B 966 73.527 31.519 35.106 1.00 1.00 H new ATOM 0 HG22 VAL B 966 74.115 32.717 36.284 1.00 1.00 H new ATOM 0 HG23 VAL B 966 73.721 31.065 36.816 1.00 1.00 H new ATOM 1497 N ILE B 967 69.599 31.873 37.901 1.00 1.00 N ATOM 1498 CA ILE B 967 68.173 31.734 37.838 1.00 1.00 C ATOM 1499 C ILE B 967 67.644 31.106 39.090 1.00 1.00 C ATOM 1500 O ILE B 967 67.907 29.937 39.368 1.00 1.00 O ATOM 1501 CB ILE B 967 67.845 30.961 36.588 1.00 1.00 C ATOM 1502 CG1 ILE B 967 68.064 31.785 35.305 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.408 30.423 36.628 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.679 30.979 34.157 1.00 1.00 C ATOM 0 H ILE B 967 70.068 30.967 37.899 1.00 1.00 H new ATOM 0 HA ILE B 967 67.681 32.705 37.780 1.00 1.00 H new ATOM 0 HB ILE B 967 68.539 30.121 36.560 1.00 1.00 H new ATOM 0 HG12 ILE B 967 67.108 32.195 34.979 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.713 32.631 35.533 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.201 29.870 35.712 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.291 29.761 37.486 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.710 31.256 36.714 1.00 1.00 H new ATOM 0 HD11 ILE B 967 68.804 31.623 33.287 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.650 30.591 34.464 1.00 1.00 H new ATOM 0 HD13 ILE B 967 68.021 30.149 33.902 1.00 1.00 H new ATOM 1516 N ASP B 968 66.902 31.833 39.946 1.00 1.00 N ATOM 1517 CA ASP B 968 66.209 31.282 41.078 1.00 1.00 C ATOM 1518 C ASP B 968 64.740 31.118 40.833 1.00 1.00 C ATOM 1519 O ASP B 968 64.048 32.137 40.810 1.00 1.00 O ATOM 1520 CB ASP B 968 66.370 32.192 42.311 1.00 1.00 C ATOM 1521 CG ASP B 968 67.822 32.294 42.735 1.00 1.00 C ATOM 1522 OD1 ASP B 968 68.524 31.251 42.812 1.00 1.00 O ATOM 1523 OD2 ASP B 968 68.271 33.424 43.062 1.00 1.00 O ATOM 0 H ASP B 968 66.778 32.841 39.849 1.00 1.00 H new ATOM 0 HA ASP B 968 66.655 30.302 41.249 1.00 1.00 H new ATOM 0 HB2 ASP B 968 65.984 33.186 42.085 1.00 1.00 H new ATOM 0 HB3 ASP B 968 65.775 31.799 43.136 1.00 1.00 H new ATOM 1528 N LEU B 969 64.156 29.910 40.680 1.00 1.00 N ATOM 1529 CA LEU B 969 62.774 29.878 40.278 1.00 1.00 C ATOM 1530 C LEU B 969 61.814 29.580 41.386 1.00 1.00 C ATOM 1531 O LEU B 969 62.164 28.995 42.410 1.00 1.00 O ATOM 1532 CB LEU B 969 62.491 29.056 39.006 1.00 1.00 C ATOM 1533 CG LEU B 969 63.132 27.668 38.863 1.00 1.00 C ATOM 1534 CD1 LEU B 969 62.492 26.945 37.675 1.00 1.00 C ATOM 1535 CD2 LEU B 969 64.609 27.741 38.454 1.00 1.00 C ATOM 0 H LEU B 969 64.605 29.005 40.824 1.00 1.00 H new ATOM 0 HA LEU B 969 62.578 30.912 39.995 1.00 1.00 H new ATOM 0 HB2 LEU B 969 61.411 28.930 38.928 1.00 1.00 H new ATOM 0 HB3 LEU B 969 62.805 29.654 38.150 1.00 1.00 H new ATOM 0 HG LEU B 969 63.003 27.180 39.829 1.00 1.00 H new ATOM 0 HD11 LEU B 969 62.941 25.958 37.565 1.00 1.00 H new ATOM 0 HD12 LEU B 969 61.421 26.840 37.847 1.00 1.00 H new ATOM 0 HD13 LEU B 969 62.658 27.522 36.765 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.013 26.732 38.367 1.00 1.00 H new ATOM 0 HD22 LEU B 969 64.696 28.251 37.494 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.169 28.292 39.210 1.00 1.00 H new