USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 605 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 THR OG1 : rot 180:sc= 0.55 USER MOD Set 1.2: A 75 GLN : amide:sc= 0.477 X(o=1,f=1) USER MOD Single : A 17 HIS : no HD1:sc= -0.844 X(o=-0.84,f=-0.52) USER MOD Single : A 19 ASN : amide:sc= 0.441 K(o=0.44,f=-0.29) USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.06) USER MOD Single : A 31 GLN : amide:sc= -1 X(o=-1,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ -168:sc= 1.34 (180deg=1.02) USER MOD Single : A 35 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0501) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot -150:sc=-0.00958 USER MOD Single : A 41 SER OG : rot 180:sc=-0.00629 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -173:sc= 0 (180deg=-0.0554) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 76:sc= 0.015 USER MOD Single : A 51 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.24) 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= -0.0338 X(o=-0.034,f=-0.034) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.402 X(o=0.4,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -173:sc= -0.623 (180deg=-0.877) 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= 0.294 X(o=0.29,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 64.600 22.288 45.847 1.00 1.00 N ATOM 245 CA HIS A 17 65.420 22.421 44.683 1.00 1.00 C ATOM 246 C HIS A 17 66.843 21.967 44.785 1.00 1.00 C ATOM 247 O HIS A 17 67.438 21.829 45.853 1.00 1.00 O ATOM 248 CB HIS A 17 65.392 23.896 44.249 1.00 1.00 C ATOM 249 CG HIS A 17 65.939 24.889 45.232 1.00 1.00 C ATOM 250 ND1 HIS A 17 65.147 25.554 46.128 1.00 1.00 N ATOM 251 CD2 HIS A 17 67.189 25.407 45.356 1.00 1.00 C ATOM 252 CE1 HIS A 17 65.872 26.463 46.754 1.00 1.00 C ATOM 253 NE2 HIS A 17 67.112 26.398 46.298 1.00 1.00 N ATOM 0 HA HIS A 17 64.984 21.737 43.954 1.00 1.00 H new ATOM 0 HB2 HIS A 17 65.954 23.990 43.320 1.00 1.00 H new ATOM 0 HB3 HIS A 17 64.360 24.168 44.027 1.00 1.00 H new ATOM 0 HD2 HIS A 17 68.072 25.097 44.816 1.00 1.00 H new ATOM 0 HE1 HIS A 17 65.513 27.145 47.511 1.00 1.00 H new ATOM 0 HE2 HIS A 17 67.886 26.990 46.599 1.00 1.00 H new ATOM 262 N ILE A 18 67.435 21.759 43.597 1.00 1.00 N ATOM 263 CA ILE A 18 68.794 21.445 43.266 1.00 1.00 C ATOM 264 C ILE A 18 69.151 22.382 42.154 1.00 1.00 C ATOM 265 O ILE A 18 68.269 22.971 41.534 1.00 1.00 O ATOM 266 CB ILE A 18 68.978 20.025 42.795 1.00 1.00 C ATOM 267 CG1 ILE A 18 68.043 19.659 41.626 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.743 19.088 43.993 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.426 18.339 40.959 1.00 1.00 C ATOM 0 H ILE A 18 66.875 21.821 42.746 1.00 1.00 H new ATOM 0 HA ILE A 18 69.424 21.549 44.150 1.00 1.00 H new ATOM 0 HB ILE A 18 69.993 19.915 42.412 1.00 1.00 H new ATOM 0 HG12 ILE A 18 67.018 19.593 41.992 1.00 1.00 H new ATOM 0 HG13 ILE A 18 68.066 20.457 40.884 1.00 1.00 H new ATOM 0 HG21 ILE A 18 68.871 18.053 43.676 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.461 19.318 44.781 1.00 1.00 H new ATOM 0 HG23 ILE A 18 67.731 19.229 44.372 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.735 18.130 40.143 1.00 1.00 H new ATOM 0 HD12 ILE A 18 69.440 18.411 40.566 1.00 1.00 H new ATOM 0 HD13 ILE A 18 68.377 17.533 41.692 1.00 1.00 H new ATOM 281 N ASN A 19 70.439 22.632 41.862 1.00 1.00 N ATOM 282 CA ASN A 19 70.830 23.501 40.789 1.00 1.00 C ATOM 283 C ASN A 19 71.493 22.704 39.708 1.00 1.00 C ATOM 284 O ASN A 19 72.160 21.697 39.934 1.00 1.00 O ATOM 285 CB ASN A 19 71.730 24.684 41.199 1.00 1.00 C ATOM 286 CG ASN A 19 71.342 25.267 42.551 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.501 26.156 42.678 1.00 1.00 O ATOM 288 ND2 ASN A 19 72.013 24.772 43.624 1.00 1.00 N ATOM 0 H ASN A 19 71.222 22.227 42.375 1.00 1.00 H new ATOM 0 HA ASN A 19 69.906 23.955 40.431 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.768 24.353 41.234 1.00 1.00 H new ATOM 0 HB3 ASN A 19 71.669 25.463 40.439 1.00 1.00 H new ATOM 0 HD21 ASN A 19 71.823 25.138 44.557 1.00 1.00 H new ATOM 0 HD22 ASN A 19 72.706 24.035 43.496 1.00 1.00 H new ATOM 295 N LEU A 20 71.288 23.084 38.436 1.00 1.00 N ATOM 296 CA LEU A 20 71.918 22.416 37.334 1.00 1.00 C ATOM 297 C LEU A 20 72.373 23.500 36.404 1.00 1.00 C ATOM 298 O LEU A 20 71.885 24.625 36.482 1.00 1.00 O ATOM 299 CB LEU A 20 70.968 21.390 36.681 1.00 1.00 C ATOM 300 CG LEU A 20 70.000 21.915 35.605 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.172 20.777 34.989 1.00 1.00 C ATOM 302 CD2 LEU A 20 69.002 22.978 36.086 1.00 1.00 C ATOM 0 H LEU A 20 70.682 23.859 38.166 1.00 1.00 H new ATOM 0 HA LEU A 20 72.774 21.819 37.648 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.576 20.603 36.234 1.00 1.00 H new ATOM 0 HB3 LEU A 20 70.377 20.926 37.471 1.00 1.00 H new ATOM 0 HG LEU A 20 70.667 22.378 34.878 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.500 21.184 34.234 1.00 1.00 H new ATOM 0 HD12 LEU A 20 69.840 20.050 34.527 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.588 20.288 35.769 1.00 1.00 H new ATOM 0 HD21 LEU A 20 68.366 23.282 35.255 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.384 22.563 36.883 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.546 23.844 36.462 1.00 1.00 H new ATOM 314 N LYS A 21 73.326 23.252 35.487 1.00 1.00 N ATOM 315 CA LYS A 21 73.833 24.182 34.520 1.00 1.00 C ATOM 316 C LYS A 21 74.014 23.536 33.184 1.00 1.00 C ATOM 317 O LYS A 21 74.247 22.334 33.087 1.00 1.00 O ATOM 318 CB LYS A 21 75.183 24.776 34.967 1.00 1.00 C ATOM 319 CG LYS A 21 76.382 23.824 34.909 1.00 1.00 C ATOM 320 CD LYS A 21 77.548 24.232 35.817 1.00 1.00 C ATOM 321 CE LYS A 21 77.185 24.140 37.302 1.00 1.00 C ATOM 322 NZ LYS A 21 78.367 24.353 38.165 1.00 1.00 N ATOM 0 H LYS A 21 73.774 22.338 35.416 1.00 1.00 H new ATOM 0 HA LYS A 21 73.095 24.980 34.439 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.401 25.643 34.344 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.079 25.137 35.990 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.052 22.823 35.187 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.739 23.768 33.881 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.406 23.591 35.614 1.00 1.00 H new ATOM 0 HD3 LYS A 21 77.850 25.252 35.581 1.00 1.00 H new ATOM 0 HE2 LYS A 21 76.423 24.883 37.538 1.00 1.00 H new ATOM 0 HE3 LYS A 21 76.752 23.162 37.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 78.061 24.453 39.154 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 79.009 23.539 38.082 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 78.863 25.217 37.867 1.00 1.00 H new ATOM 336 N VAL A 22 73.892 24.300 32.084 1.00 1.00 N ATOM 337 CA VAL A 22 74.132 23.876 30.743 1.00 1.00 C ATOM 338 C VAL A 22 75.393 24.525 30.266 1.00 1.00 C ATOM 339 O VAL A 22 75.573 25.734 30.408 1.00 1.00 O ATOM 340 CB VAL A 22 72.998 24.358 29.883 1.00 1.00 C ATOM 341 CG1 VAL A 22 71.812 23.381 29.927 1.00 1.00 C ATOM 342 CG2 VAL A 22 72.548 25.801 30.166 1.00 1.00 C ATOM 0 H VAL A 22 73.607 25.278 32.138 1.00 1.00 H new ATOM 0 HA VAL A 22 74.215 22.790 30.693 1.00 1.00 H new ATOM 0 HB VAL A 22 73.398 24.381 28.869 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.007 23.757 29.295 1.00 1.00 H new ATOM 0 HG12 VAL A 22 72.132 22.404 29.564 1.00 1.00 H new ATOM 0 HG13 VAL A 22 71.455 23.288 30.953 1.00 1.00 H new ATOM 0 HG21 VAL A 22 71.726 26.063 29.499 1.00 1.00 H new ATOM 0 HG22 VAL A 22 72.216 25.882 31.201 1.00 1.00 H new ATOM 0 HG23 VAL A 22 73.383 26.482 29.998 1.00 1.00 H new ATOM 352 N ALA A 23 76.291 23.735 29.650 1.00 1.00 N ATOM 353 CA ALA A 23 77.482 24.219 29.016 1.00 1.00 C ATOM 354 C ALA A 23 77.428 23.909 27.553 1.00 1.00 C ATOM 355 O ALA A 23 77.139 22.787 27.136 1.00 1.00 O ATOM 356 CB ALA A 23 78.723 23.565 29.650 1.00 1.00 C ATOM 0 H ALA A 23 76.185 22.722 29.590 1.00 1.00 H new ATOM 0 HA ALA A 23 77.550 25.298 29.153 1.00 1.00 H new ATOM 0 HB1 ALA A 23 79.622 23.940 29.161 1.00 1.00 H new ATOM 0 HB2 ALA A 23 78.760 23.808 30.712 1.00 1.00 H new ATOM 0 HB3 ALA A 23 78.667 22.483 29.527 1.00 1.00 H new ATOM 362 N GLY A 24 77.687 24.920 26.704 1.00 1.00 N ATOM 363 CA GLY A 24 77.605 24.803 25.276 1.00 1.00 C ATOM 364 C GLY A 24 78.870 24.384 24.604 1.00 1.00 C ATOM 365 O GLY A 24 79.907 24.159 25.226 1.00 1.00 O ATOM 0 H GLY A 24 77.963 25.850 27.019 1.00 1.00 H new ATOM 0 HA2 GLY A 24 76.825 24.083 25.030 1.00 1.00 H new ATOM 0 HA3 GLY A 24 77.294 25.763 24.865 1.00 1.00 H new ATOM 416 N VAL A 29 78.221 29.116 29.754 1.00 1.00 N ATOM 417 CA VAL A 29 77.523 28.362 30.757 1.00 1.00 C ATOM 418 C VAL A 29 76.466 29.174 31.444 1.00 1.00 C ATOM 419 O VAL A 29 76.678 30.336 31.787 1.00 1.00 O ATOM 420 CB VAL A 29 78.500 27.716 31.706 1.00 1.00 C ATOM 421 CG1 VAL A 29 79.356 28.756 32.447 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.806 26.755 32.689 1.00 1.00 C ATOM 0 HA VAL A 29 76.980 27.555 30.265 1.00 1.00 H new ATOM 0 HB VAL A 29 79.175 27.117 31.095 1.00 1.00 H new ATOM 0 HG11 VAL A 29 80.046 28.247 33.120 1.00 1.00 H new ATOM 0 HG12 VAL A 29 79.922 29.343 31.724 1.00 1.00 H new ATOM 0 HG13 VAL A 29 78.708 29.416 33.023 1.00 1.00 H new ATOM 0 HG21 VAL A 29 78.550 26.314 33.353 1.00 1.00 H new ATOM 0 HG22 VAL A 29 77.074 27.305 33.280 1.00 1.00 H new ATOM 0 HG23 VAL A 29 77.303 25.965 32.131 1.00 1.00 H new ATOM 432 N VAL A 30 75.244 28.632 31.615 1.00 1.00 N ATOM 433 CA VAL A 30 74.257 29.207 32.491 1.00 1.00 C ATOM 434 C VAL A 30 73.695 28.188 33.433 1.00 1.00 C ATOM 435 O VAL A 30 73.454 27.047 33.043 1.00 1.00 O ATOM 436 CB VAL A 30 73.199 30.051 31.820 1.00 1.00 C ATOM 437 CG1 VAL A 30 71.962 29.270 31.348 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.659 31.112 32.792 1.00 1.00 C ATOM 0 H VAL A 30 74.933 27.784 31.141 1.00 1.00 H new ATOM 0 HA VAL A 30 74.804 29.939 33.085 1.00 1.00 H new ATOM 0 HB VAL A 30 73.711 30.474 30.956 1.00 1.00 H new ATOM 0 HG11 VAL A 30 71.256 29.955 30.879 1.00 1.00 H new ATOM 0 HG12 VAL A 30 72.264 28.511 30.627 1.00 1.00 H new ATOM 0 HG13 VAL A 30 71.487 28.789 32.203 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.898 31.710 32.291 1.00 1.00 H new ATOM 0 HG22 VAL A 30 72.221 30.620 33.660 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.475 31.759 33.115 1.00 1.00 H new ATOM 448 N GLN A 31 73.483 28.531 34.719 1.00 1.00 N ATOM 449 CA GLN A 31 72.835 27.693 35.687 1.00 1.00 C ATOM 450 C GLN A 31 71.448 28.104 36.077 1.00 1.00 C ATOM 451 O GLN A 31 70.912 29.188 35.849 1.00 1.00 O ATOM 452 CB GLN A 31 73.747 27.376 36.890 1.00 1.00 C ATOM 453 CG GLN A 31 74.060 28.447 37.946 1.00 1.00 C ATOM 454 CD GLN A 31 73.023 28.762 39.017 1.00 1.00 C ATOM 455 OE1 GLN A 31 73.093 29.816 39.648 1.00 1.00 O ATOM 456 NE2 GLN A 31 72.030 27.872 39.273 1.00 1.00 N ATOM 0 H GLN A 31 73.775 29.430 35.101 1.00 1.00 H new ATOM 0 HA GLN A 31 72.667 26.753 35.161 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.302 26.530 37.414 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.701 27.036 36.487 1.00 1.00 H new ATOM 0 HG2 GLN A 31 74.976 28.148 38.455 1.00 1.00 H new ATOM 0 HG3 GLN A 31 74.278 29.375 37.417 1.00 1.00 H new ATOM 0 HE21 GLN A 31 71.978 27.000 38.746 1.00 1.00 H new ATOM 0 HE22 GLN A 31 71.336 28.075 39.992 1.00 1.00 H new ATOM 465 N PHE A 32 70.715 27.143 36.661 1.00 1.00 N ATOM 466 CA PHE A 32 69.332 27.321 36.978 1.00 1.00 C ATOM 467 C PHE A 32 69.072 26.578 38.254 1.00 1.00 C ATOM 468 O PHE A 32 69.808 25.652 38.590 1.00 1.00 O ATOM 469 CB PHE A 32 68.518 26.666 35.848 1.00 1.00 C ATOM 470 CG PHE A 32 69.030 26.807 34.453 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.843 25.816 33.929 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.602 27.819 33.615 1.00 1.00 C ATOM 473 CE1 PHE A 32 70.154 25.793 32.583 1.00 1.00 C ATOM 474 CE2 PHE A 32 68.926 27.821 32.271 1.00 1.00 C ATOM 475 CZ PHE A 32 69.684 26.791 31.750 1.00 1.00 C ATOM 0 H PHE A 32 71.086 26.228 36.918 1.00 1.00 H new ATOM 0 HA PHE A 32 69.066 28.373 37.083 1.00 1.00 H new ATOM 0 HB2 PHE A 32 68.434 25.602 36.069 1.00 1.00 H new ATOM 0 HB3 PHE A 32 67.510 27.078 35.878 1.00 1.00 H new ATOM 0 HD1 PHE A 32 70.239 25.051 34.581 1.00 1.00 H new ATOM 0 HD2 PHE A 32 68.004 28.623 34.017 1.00 1.00 H new ATOM 0 HE1 PHE A 32 70.763 24.996 32.182 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.588 28.624 31.632 1.00 1.00 H new ATOM 0 HZ PHE A 32 69.909 26.765 30.694 1.00 1.00 H new ATOM 485 N LYS A 33 68.017 26.932 39.008 1.00 1.00 N ATOM 486 CA LYS A 33 67.692 26.359 40.282 1.00 1.00 C ATOM 487 C LYS A 33 66.331 25.744 40.225 1.00 1.00 C ATOM 488 O LYS A 33 65.345 26.462 40.077 1.00 1.00 O ATOM 489 CB LYS A 33 67.570 27.549 41.252 1.00 1.00 C ATOM 490 CG LYS A 33 67.254 27.218 42.712 1.00 1.00 C ATOM 491 CD LYS A 33 67.158 28.505 43.538 1.00 1.00 C ATOM 492 CE LYS A 33 65.735 29.044 43.699 1.00 1.00 C ATOM 493 NZ LYS A 33 65.778 30.408 44.266 1.00 1.00 N ATOM 0 H LYS A 33 67.357 27.653 38.717 1.00 1.00 H new ATOM 0 HA LYS A 33 68.436 25.617 40.571 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.506 28.107 41.225 1.00 1.00 H new ATOM 0 HB3 LYS A 33 66.792 28.214 40.878 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.315 26.668 42.773 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.030 26.571 43.122 1.00 1.00 H new ATOM 0 HD2 LYS A 33 67.578 28.321 44.527 1.00 1.00 H new ATOM 0 HD3 LYS A 33 67.774 29.272 43.068 1.00 1.00 H new ATOM 0 HE2 LYS A 33 65.230 29.057 42.733 1.00 1.00 H new ATOM 0 HE3 LYS A 33 65.159 28.387 44.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 64.822 30.691 44.562 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 66.414 30.422 45.089 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 66.128 31.072 43.546 1.00 1.00 H new ATOM 507 N ILE A 34 66.194 24.417 40.385 1.00 1.00 N ATOM 508 CA ILE A 34 65.010 23.713 39.981 1.00 1.00 C ATOM 509 C ILE A 34 64.736 22.538 40.850 1.00 1.00 C ATOM 510 O ILE A 34 65.572 21.957 41.537 1.00 1.00 O ATOM 511 CB ILE A 34 65.002 23.267 38.541 1.00 1.00 C ATOM 512 CG1 ILE A 34 63.730 22.660 37.915 1.00 1.00 C ATOM 513 CG2 ILE A 34 66.238 22.395 38.271 1.00 1.00 C ATOM 514 CD1 ILE A 34 63.771 22.668 36.386 1.00 1.00 C ATOM 0 H ILE A 34 66.911 23.822 40.799 1.00 1.00 H new ATOM 0 HA ILE A 34 64.219 24.455 40.092 1.00 1.00 H new ATOM 0 HB ILE A 34 65.024 24.217 38.007 1.00 1.00 H new ATOM 0 HG12 ILE A 34 63.609 21.636 38.267 1.00 1.00 H new ATOM 0 HG13 ILE A 34 62.859 23.219 38.255 1.00 1.00 H new ATOM 0 HG21 ILE A 34 66.234 22.071 37.230 1.00 1.00 H new ATOM 0 HG22 ILE A 34 67.141 22.973 38.468 1.00 1.00 H new ATOM 0 HG23 ILE A 34 66.217 21.522 38.923 1.00 1.00 H new ATOM 0 HD11 ILE A 34 62.853 22.230 35.995 1.00 1.00 H new ATOM 0 HD12 ILE A 34 63.864 23.694 36.030 1.00 1.00 H new ATOM 0 HD13 ILE A 34 64.626 22.086 36.042 1.00 1.00 H new ATOM 526 N LYS A 35 63.435 22.221 40.850 1.00 1.00 N ATOM 527 CA LYS A 35 62.872 21.171 41.645 1.00 1.00 C ATOM 528 C LYS A 35 62.863 19.867 40.914 1.00 1.00 C ATOM 529 O LYS A 35 63.073 19.774 39.706 1.00 1.00 O ATOM 530 CB LYS A 35 61.488 21.501 42.228 1.00 1.00 C ATOM 531 CG LYS A 35 61.386 22.916 42.810 1.00 1.00 C ATOM 532 CD LYS A 35 60.773 23.916 41.824 1.00 1.00 C ATOM 533 CE LYS A 35 59.298 23.602 41.554 1.00 1.00 C ATOM 534 NZ LYS A 35 58.448 23.928 42.719 1.00 1.00 N ATOM 0 H LYS A 35 62.746 22.710 40.278 1.00 1.00 H new ATOM 0 HA LYS A 35 63.535 21.073 42.504 1.00 1.00 H new ATOM 0 HB2 LYS A 35 60.737 21.384 41.447 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.251 20.778 43.009 1.00 1.00 H new ATOM 0 HG2 LYS A 35 60.782 22.889 43.717 1.00 1.00 H new ATOM 0 HG3 LYS A 35 62.380 23.259 43.099 1.00 1.00 H new ATOM 0 HD2 LYS A 35 60.864 24.926 42.224 1.00 1.00 H new ATOM 0 HD3 LYS A 35 61.329 23.893 40.887 1.00 1.00 H new ATOM 0 HE2 LYS A 35 58.958 24.167 40.686 1.00 1.00 H new ATOM 0 HE3 LYS A 35 59.190 22.546 41.309 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 57.446 23.832 42.456 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 58.665 23.277 43.500 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 58.634 24.905 43.022 1.00 1.00 H new ATOM 548 N ARG A 36 62.687 18.778 41.680 1.00 1.00 N ATOM 549 CA ARG A 36 62.968 17.445 41.228 1.00 1.00 C ATOM 550 C ARG A 36 62.029 16.874 40.210 1.00 1.00 C ATOM 551 O ARG A 36 62.453 16.172 39.292 1.00 1.00 O ATOM 552 CB ARG A 36 63.147 16.488 42.421 1.00 1.00 C ATOM 553 CG ARG A 36 64.401 16.814 43.241 1.00 1.00 C ATOM 554 CD ARG A 36 64.622 15.889 44.441 1.00 1.00 C ATOM 555 NE ARG A 36 65.969 16.211 44.998 1.00 1.00 N ATOM 556 CZ ARG A 36 66.199 16.863 46.165 1.00 1.00 C ATOM 557 NH1 ARG A 36 65.229 17.473 46.886 1.00 1.00 N ATOM 558 NH2 ARG A 36 67.461 16.946 46.657 1.00 1.00 N ATOM 0 H ARG A 36 62.341 18.821 42.638 1.00 1.00 H new ATOM 0 HA ARG A 36 63.907 17.543 40.683 1.00 1.00 H new ATOM 0 HB2 ARG A 36 62.269 16.544 43.065 1.00 1.00 H new ATOM 0 HB3 ARG A 36 63.210 15.463 42.056 1.00 1.00 H new ATOM 0 HG2 ARG A 36 65.273 16.760 42.589 1.00 1.00 H new ATOM 0 HG3 ARG A 36 64.332 17.842 43.596 1.00 1.00 H new ATOM 0 HD2 ARG A 36 63.847 16.041 45.193 1.00 1.00 H new ATOM 0 HD3 ARG A 36 64.570 14.844 44.137 1.00 1.00 H new ATOM 0 HE ARG A 36 66.782 15.917 44.457 1.00 1.00 H new ATOM 0 HH11 ARG A 36 64.263 17.457 46.558 1.00 1.00 H new ATOM 0 HH12 ARG A 36 65.464 17.948 47.758 1.00 1.00 H new ATOM 0 HH21 ARG A 36 68.235 16.518 46.149 1.00 1.00 H new ATOM 0 HH22 ARG A 36 67.635 17.436 47.534 1.00 1.00 H new ATOM 572 N HIS A 37 60.716 17.146 40.313 1.00 1.00 N ATOM 573 CA HIS A 37 59.719 16.571 39.455 1.00 1.00 C ATOM 574 C HIS A 37 59.323 17.493 38.347 1.00 1.00 C ATOM 575 O HIS A 37 58.666 17.089 37.387 1.00 1.00 O ATOM 576 CB HIS A 37 58.487 16.159 40.281 1.00 1.00 C ATOM 577 CG HIS A 37 58.868 15.113 41.288 1.00 1.00 C ATOM 578 ND1 HIS A 37 59.184 15.384 42.594 1.00 1.00 N ATOM 579 CD2 HIS A 37 59.130 13.796 41.088 1.00 1.00 C ATOM 580 CE1 HIS A 37 59.625 14.279 43.167 1.00 1.00 C ATOM 581 NE2 HIS A 37 59.611 13.307 42.274 1.00 1.00 N ATOM 0 H HIS A 37 60.334 17.783 41.012 1.00 1.00 H new ATOM 0 HA HIS A 37 60.156 15.687 38.991 1.00 1.00 H new ATOM 0 HB2 HIS A 37 58.072 17.030 40.789 1.00 1.00 H new ATOM 0 HB3 HIS A 37 57.709 15.774 39.621 1.00 1.00 H new ATOM 0 HD2 HIS A 37 58.987 13.242 40.172 1.00 1.00 H new ATOM 0 HE1 HIS A 37 59.944 14.186 44.195 1.00 1.00 H new ATOM 0 HE2 HIS A 37 59.910 12.346 42.440 1.00 1.00 H new ATOM 590 N THR A 38 59.740 18.769 38.428 1.00 1.00 N ATOM 591 CA THR A 38 59.648 19.760 37.394 1.00 1.00 C ATOM 592 C THR A 38 60.383 19.367 36.148 1.00 1.00 C ATOM 593 O THR A 38 61.491 18.848 36.265 1.00 1.00 O ATOM 594 CB THR A 38 60.209 21.065 37.895 1.00 1.00 C ATOM 595 OG1 THR A 38 59.448 21.521 39.004 1.00 1.00 O ATOM 596 CG2 THR A 38 60.160 22.216 36.879 1.00 1.00 C ATOM 0 H THR A 38 60.173 19.136 39.276 1.00 1.00 H new ATOM 0 HA THR A 38 58.592 19.858 37.141 1.00 1.00 H new ATOM 0 HB THR A 38 61.249 20.839 38.131 1.00 1.00 H new ATOM 0 HG1 THR A 38 59.465 22.500 39.032 1.00 1.00 H new ATOM 0 HG21 THR A 38 60.585 23.115 37.327 1.00 1.00 H new ATOM 0 HG22 THR A 38 60.735 21.945 35.994 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.125 22.406 36.595 1.00 1.00 H new ATOM 604 N PRO A 39 59.906 19.535 34.942 1.00 1.00 N ATOM 605 CA PRO A 39 60.630 19.108 33.773 1.00 1.00 C ATOM 606 C PRO A 39 61.840 19.924 33.446 1.00 1.00 C ATOM 607 O PRO A 39 61.945 21.107 33.773 1.00 1.00 O ATOM 608 CB PRO A 39 59.616 19.178 32.631 1.00 1.00 C ATOM 609 CG PRO A 39 58.598 20.227 33.100 1.00 1.00 C ATOM 610 CD PRO A 39 58.561 19.990 34.615 1.00 1.00 C ATOM 0 HA PRO A 39 61.032 18.110 33.946 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.090 19.473 31.695 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.142 18.212 32.458 1.00 1.00 H new ATOM 0 HG2 PRO A 39 58.915 21.240 32.854 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.620 20.079 32.641 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.308 20.903 35.154 1.00 1.00 H new ATOM 0 HD3 PRO A 39 57.813 19.244 34.883 1.00 1.00 H new ATOM 618 N LEU A 40 62.789 19.293 32.733 1.00 1.00 N ATOM 619 CA LEU A 40 63.981 19.897 32.214 1.00 1.00 C ATOM 620 C LEU A 40 63.745 20.995 31.223 1.00 1.00 C ATOM 621 O LEU A 40 64.551 21.903 31.039 1.00 1.00 O ATOM 622 CB LEU A 40 65.108 18.909 31.874 1.00 1.00 C ATOM 623 CG LEU A 40 64.980 18.126 30.560 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.655 18.857 29.388 1.00 1.00 C ATOM 625 CD2 LEU A 40 65.631 16.753 30.790 1.00 1.00 C ATOM 0 H LEU A 40 62.722 18.301 32.504 1.00 1.00 H new ATOM 0 HA LEU A 40 64.398 20.437 33.064 1.00 1.00 H new ATOM 0 HB2 LEU A 40 66.046 19.463 31.847 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.185 18.190 32.690 1.00 1.00 H new ATOM 0 HG LEU A 40 63.929 18.024 30.290 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.541 18.268 28.478 1.00 1.00 H new ATOM 0 HD12 LEU A 40 65.188 19.832 29.250 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.715 18.989 29.604 1.00 1.00 H new ATOM 0 HD21 LEU A 40 65.562 16.160 29.878 1.00 1.00 H new ATOM 0 HD22 LEU A 40 66.679 16.887 31.057 1.00 1.00 H new ATOM 0 HD23 LEU A 40 65.114 16.236 31.598 1.00 1.00 H new ATOM 637 N SER A 41 62.598 20.983 30.524 1.00 1.00 N ATOM 638 CA SER A 41 62.151 22.061 29.687 1.00 1.00 C ATOM 639 C SER A 41 62.115 23.402 30.353 1.00 1.00 C ATOM 640 O SER A 41 62.277 24.423 29.687 1.00 1.00 O ATOM 641 CB SER A 41 60.750 21.782 29.112 1.00 1.00 C ATOM 642 OG SER A 41 59.826 21.476 30.148 1.00 1.00 O ATOM 0 H SER A 41 61.953 20.193 30.539 1.00 1.00 H new ATOM 0 HA SER A 41 62.902 22.105 28.898 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.402 22.652 28.555 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.801 20.951 28.408 1.00 1.00 H new ATOM 0 HG SER A 41 58.943 21.304 29.759 1.00 1.00 H new ATOM 648 N LYS A 42 61.902 23.491 31.680 1.00 1.00 N ATOM 649 CA LYS A 42 61.748 24.747 32.356 1.00 1.00 C ATOM 650 C LYS A 42 63.005 25.560 32.353 1.00 1.00 C ATOM 651 O LYS A 42 63.002 26.762 32.096 1.00 1.00 O ATOM 652 CB LYS A 42 61.263 24.503 33.797 1.00 1.00 C ATOM 653 CG LYS A 42 60.940 25.757 34.618 1.00 1.00 C ATOM 654 CD LYS A 42 59.772 26.614 34.115 1.00 1.00 C ATOM 655 CE LYS A 42 60.172 27.920 33.421 1.00 1.00 C ATOM 656 NZ LYS A 42 58.973 28.735 33.131 1.00 1.00 N ATOM 0 H LYS A 42 61.835 22.679 32.294 1.00 1.00 H new ATOM 0 HA LYS A 42 61.003 25.326 31.811 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.371 23.878 33.758 1.00 1.00 H new ATOM 0 HB3 LYS A 42 62.028 23.934 34.325 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.724 25.450 35.641 1.00 1.00 H new ATOM 0 HG3 LYS A 42 61.832 26.382 34.654 1.00 1.00 H new ATOM 0 HD2 LYS A 42 59.179 26.019 33.420 1.00 1.00 H new ATOM 0 HD3 LYS A 42 59.127 26.853 34.961 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.857 28.482 34.056 1.00 1.00 H new ATOM 0 HE3 LYS A 42 60.703 27.700 32.495 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 59.259 29.617 32.661 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 58.333 28.202 32.508 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 58.483 28.960 34.020 1.00 1.00 H new ATOM 670 N LEU A 43 64.160 24.907 32.580 1.00 1.00 N ATOM 671 CA LEU A 43 65.441 25.527 32.401 1.00 1.00 C ATOM 672 C LEU A 43 65.753 25.872 30.978 1.00 1.00 C ATOM 673 O LEU A 43 66.319 26.930 30.709 1.00 1.00 O ATOM 674 CB LEU A 43 66.608 24.750 33.038 1.00 1.00 C ATOM 675 CG LEU A 43 66.828 23.309 32.551 1.00 1.00 C ATOM 676 CD1 LEU A 43 68.301 23.011 32.222 1.00 1.00 C ATOM 677 CD2 LEU A 43 66.243 22.303 33.556 1.00 1.00 C ATOM 0 H LEU A 43 64.208 23.937 32.892 1.00 1.00 H new ATOM 0 HA LEU A 43 65.344 26.465 32.948 1.00 1.00 H new ATOM 0 HB2 LEU A 43 67.526 25.312 32.863 1.00 1.00 H new ATOM 0 HB3 LEU A 43 66.451 24.724 34.116 1.00 1.00 H new ATOM 0 HG LEU A 43 66.289 23.198 31.610 1.00 1.00 H new ATOM 0 HD11 LEU A 43 68.397 21.979 31.883 1.00 1.00 H new ATOM 0 HD12 LEU A 43 68.642 23.684 31.435 1.00 1.00 H new ATOM 0 HD13 LEU A 43 68.910 23.158 33.114 1.00 1.00 H new ATOM 0 HD21 LEU A 43 66.409 21.288 33.194 1.00 1.00 H new ATOM 0 HD22 LEU A 43 66.732 22.428 34.522 1.00 1.00 H new ATOM 0 HD23 LEU A 43 65.173 22.479 33.666 1.00 1.00 H new ATOM 689 N MET A 44 65.364 25.042 29.993 1.00 1.00 N ATOM 690 CA MET A 44 65.502 25.345 28.595 1.00 1.00 C ATOM 691 C MET A 44 64.762 26.575 28.168 1.00 1.00 C ATOM 692 O MET A 44 65.287 27.431 27.459 1.00 1.00 O ATOM 693 CB MET A 44 65.052 24.143 27.742 1.00 1.00 C ATOM 694 CG MET A 44 65.318 24.276 26.237 1.00 1.00 C ATOM 695 SD MET A 44 64.577 22.947 25.240 1.00 1.00 S ATOM 696 CE MET A 44 65.756 21.633 25.663 1.00 1.00 C ATOM 0 H MET A 44 64.940 24.131 30.171 1.00 1.00 H new ATOM 0 HA MET A 44 66.561 25.548 28.434 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.558 23.249 28.107 1.00 1.00 H new ATOM 0 HB3 MET A 44 63.984 23.989 27.894 1.00 1.00 H new ATOM 0 HG2 MET A 44 64.931 25.235 25.892 1.00 1.00 H new ATOM 0 HG3 MET A 44 66.395 24.287 26.067 1.00 1.00 H new ATOM 0 HE1 MET A 44 65.553 20.752 25.054 1.00 1.00 H new ATOM 0 HE2 MET A 44 66.772 21.980 25.473 1.00 1.00 H new ATOM 0 HE3 MET A 44 65.652 21.376 26.717 1.00 1.00 H new ATOM 706 N LYS A 45 63.519 26.756 28.652 1.00 1.00 N ATOM 707 CA LYS A 45 62.747 27.951 28.467 1.00 1.00 C ATOM 708 C LYS A 45 63.407 29.158 29.062 1.00 1.00 C ATOM 709 O LYS A 45 63.506 30.212 28.435 1.00 1.00 O ATOM 710 CB LYS A 45 61.349 27.718 29.074 1.00 1.00 C ATOM 711 CG LYS A 45 60.362 28.892 29.110 1.00 1.00 C ATOM 712 CD LYS A 45 59.745 29.311 27.770 1.00 1.00 C ATOM 713 CE LYS A 45 60.653 30.178 26.895 1.00 1.00 C ATOM 714 NZ LYS A 45 59.881 30.833 25.819 1.00 1.00 N ATOM 0 H LYS A 45 63.031 26.043 29.194 1.00 1.00 H new ATOM 0 HA LYS A 45 62.664 28.158 27.400 1.00 1.00 H new ATOM 0 HB2 LYS A 45 60.878 26.906 28.520 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.486 27.368 30.097 1.00 1.00 H new ATOM 0 HG2 LYS A 45 59.552 28.635 29.793 1.00 1.00 H new ATOM 0 HG3 LYS A 45 60.875 29.755 29.534 1.00 1.00 H new ATOM 0 HD2 LYS A 45 59.474 28.414 27.213 1.00 1.00 H new ATOM 0 HD3 LYS A 45 58.821 29.856 27.965 1.00 1.00 H new ATOM 0 HE2 LYS A 45 61.142 30.934 27.509 1.00 1.00 H new ATOM 0 HE3 LYS A 45 61.441 29.563 26.460 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 60.519 31.415 25.239 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 59.435 30.108 25.221 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 59.145 31.437 26.238 1.00 1.00 H new ATOM 728 N ALA A 46 63.956 29.034 30.284 1.00 1.00 N ATOM 729 CA ALA A 46 64.667 30.076 30.965 1.00 1.00 C ATOM 730 C ALA A 46 65.965 30.472 30.326 1.00 1.00 C ATOM 731 O ALA A 46 66.346 31.641 30.310 1.00 1.00 O ATOM 732 CB ALA A 46 64.869 29.656 32.430 1.00 1.00 C ATOM 0 H ALA A 46 63.903 28.169 30.823 1.00 1.00 H new ATOM 0 HA ALA A 46 64.055 30.976 30.902 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.409 30.439 32.962 1.00 1.00 H new ATOM 0 HB2 ALA A 46 63.898 29.500 32.901 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.443 28.730 32.467 1.00 1.00 H new ATOM 738 N TYR A 47 66.694 29.507 29.733 1.00 1.00 N ATOM 739 CA TYR A 47 67.901 29.670 28.973 1.00 1.00 C ATOM 740 C TYR A 47 67.699 30.574 27.798 1.00 1.00 C ATOM 741 O TYR A 47 68.471 31.496 27.543 1.00 1.00 O ATOM 742 CB TYR A 47 68.321 28.264 28.493 1.00 1.00 C ATOM 743 CG TYR A 47 69.674 28.056 27.894 1.00 1.00 C ATOM 744 CD1 TYR A 47 70.777 28.854 28.146 1.00 1.00 C ATOM 745 CD2 TYR A 47 69.837 26.924 27.113 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.024 28.512 27.653 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.076 26.584 26.602 1.00 1.00 C ATOM 748 CZ TYR A 47 72.172 27.373 26.882 1.00 1.00 C ATOM 749 OH TYR A 47 73.428 26.996 26.361 1.00 1.00 O ATOM 0 H TYR A 47 66.414 28.528 29.790 1.00 1.00 H new ATOM 0 HA TYR A 47 68.671 30.129 29.593 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.236 27.591 29.346 1.00 1.00 H new ATOM 0 HB3 TYR A 47 67.586 27.939 27.756 1.00 1.00 H new ATOM 0 HD1 TYR A 47 70.663 29.753 28.734 1.00 1.00 H new ATOM 0 HD2 TYR A 47 68.984 26.297 26.900 1.00 1.00 H new ATOM 0 HE1 TYR A 47 72.880 29.133 27.870 1.00 1.00 H new ATOM 0 HE2 TYR A 47 71.185 25.704 25.986 1.00 1.00 H new ATOM 0 HH TYR A 47 73.333 26.168 25.846 1.00 1.00 H new ATOM 759 N CYS A 48 66.581 30.391 27.074 1.00 1.00 N ATOM 760 CA CYS A 48 66.148 31.242 26.002 1.00 1.00 C ATOM 761 C CYS A 48 65.858 32.645 26.433 1.00 1.00 C ATOM 762 O CYS A 48 66.244 33.595 25.754 1.00 1.00 O ATOM 763 CB CYS A 48 64.904 30.662 25.304 1.00 1.00 C ATOM 764 SG CYS A 48 65.286 29.096 24.465 1.00 1.00 S ATOM 0 H CYS A 48 65.945 29.611 27.242 1.00 1.00 H new ATOM 0 HA CYS A 48 66.986 31.280 25.306 1.00 1.00 H new ATOM 0 HB2 CYS A 48 64.115 30.500 26.038 1.00 1.00 H new ATOM 0 HB3 CYS A 48 64.523 31.381 24.579 1.00 1.00 H new ATOM 0 HG CYS A 48 65.376 28.143 25.345 1.00 1.00 H new ATOM 770 N GLU A 49 65.190 32.832 27.586 1.00 1.00 N ATOM 771 CA GLU A 49 64.909 34.120 28.152 1.00 1.00 C ATOM 772 C GLU A 49 66.109 34.879 28.628 1.00 1.00 C ATOM 773 O GLU A 49 66.260 36.062 28.322 1.00 1.00 O ATOM 774 CB GLU A 49 63.907 33.992 29.315 1.00 1.00 C ATOM 775 CG GLU A 49 62.552 33.393 28.916 1.00 1.00 C ATOM 776 CD GLU A 49 61.647 34.337 28.139 1.00 1.00 C ATOM 777 OE1 GLU A 49 61.815 34.487 26.899 1.00 1.00 O ATOM 778 OE2 GLU A 49 60.721 34.912 28.772 1.00 1.00 O ATOM 0 H GLU A 49 64.831 32.059 28.147 1.00 1.00 H new ATOM 0 HA GLU A 49 64.488 34.696 27.328 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.350 33.372 30.095 1.00 1.00 H new ATOM 0 HB3 GLU A 49 63.742 34.979 29.748 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.727 32.501 28.314 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.031 33.072 29.818 1.00 1.00 H new ATOM 785 N ARG A 50 67.030 34.250 29.384 1.00 1.00 N ATOM 786 CA ARG A 50 68.223 34.911 29.838 1.00 1.00 C ATOM 787 C ARG A 50 69.274 35.094 28.790 1.00 1.00 C ATOM 788 O ARG A 50 69.888 36.156 28.705 1.00 1.00 O ATOM 789 CB ARG A 50 68.882 34.217 31.048 1.00 1.00 C ATOM 790 CG ARG A 50 68.631 34.976 32.357 1.00 1.00 C ATOM 791 CD ARG A 50 69.833 34.826 33.290 1.00 1.00 C ATOM 792 NE ARG A 50 69.560 35.530 34.576 1.00 1.00 N ATOM 793 CZ ARG A 50 70.532 35.909 35.446 1.00 1.00 C ATOM 794 NH1 ARG A 50 71.848 35.744 35.167 1.00 1.00 N ATOM 795 NH2 ARG A 50 70.194 36.419 36.656 1.00 1.00 N ATOM 0 H ARG A 50 66.950 33.278 29.684 1.00 1.00 H new ATOM 0 HA ARG A 50 67.849 35.893 30.128 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.495 33.202 31.138 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.955 34.135 30.878 1.00 1.00 H new ATOM 0 HG2 ARG A 50 68.453 36.031 32.147 1.00 1.00 H new ATOM 0 HG3 ARG A 50 67.734 34.592 32.843 1.00 1.00 H new ATOM 0 HD2 ARG A 50 70.032 33.771 33.477 1.00 1.00 H new ATOM 0 HD3 ARG A 50 70.725 35.240 32.820 1.00 1.00 H new ATOM 0 HE ARG A 50 68.591 35.738 34.815 1.00 1.00 H new ATOM 0 HH11 ARG A 50 72.133 35.324 34.282 1.00 1.00 H new ATOM 0 HH12 ARG A 50 72.553 36.039 35.842 1.00 1.00 H new ATOM 0 HH21 ARG A 50 69.211 36.517 36.912 1.00 1.00 H new ATOM 0 HH22 ARG A 50 70.922 36.704 37.311 1.00 1.00 H new ATOM 809 N GLN A 51 69.531 34.064 27.965 1.00 1.00 N ATOM 810 CA GLN A 51 70.733 33.975 27.187 1.00 1.00 C ATOM 811 C GLN A 51 70.485 34.041 25.713 1.00 1.00 C ATOM 812 O GLN A 51 71.400 33.865 24.910 1.00 1.00 O ATOM 813 CB GLN A 51 71.481 32.680 27.562 1.00 1.00 C ATOM 814 CG GLN A 51 72.148 32.672 28.945 1.00 1.00 C ATOM 815 CD GLN A 51 73.003 33.904 29.215 1.00 1.00 C ATOM 816 OE1 GLN A 51 72.796 34.611 30.201 1.00 1.00 O ATOM 817 NE2 GLN A 51 73.976 34.192 28.312 1.00 1.00 N ATOM 0 H GLN A 51 68.895 33.278 27.834 1.00 1.00 H new ATOM 0 HA GLN A 51 71.347 34.844 27.423 1.00 1.00 H new ATOM 0 HB2 GLN A 51 70.777 31.849 27.514 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.247 32.494 26.809 1.00 1.00 H new ATOM 0 HG2 GLN A 51 71.376 32.600 29.711 1.00 1.00 H new ATOM 0 HG3 GLN A 51 72.770 31.781 29.034 1.00 1.00 H new ATOM 0 HE21 GLN A 51 74.120 33.584 27.506 1.00 1.00 H new ATOM 0 HE22 GLN A 51 74.563 35.016 28.440 1.00 1.00 H new ATOM 826 N GLY A 52 69.244 34.354 25.295 1.00 1.00 N ATOM 827 CA GLY A 52 68.943 34.818 23.969 1.00 1.00 C ATOM 828 C GLY A 52 68.817 33.789 22.894 1.00 1.00 C ATOM 829 O GLY A 52 68.753 34.130 21.713 1.00 1.00 O ATOM 0 H GLY A 52 68.423 34.283 25.896 1.00 1.00 H new ATOM 0 HA2 GLY A 52 68.008 35.377 24.012 1.00 1.00 H new ATOM 0 HA3 GLY A 52 69.722 35.521 23.673 1.00 1.00 H new ATOM 833 N LEU A 53 68.797 32.493 23.249 1.00 1.00 N ATOM 834 CA LEU A 53 68.791 31.399 22.319 1.00 1.00 C ATOM 835 C LEU A 53 67.421 31.028 21.845 1.00 1.00 C ATOM 836 O LEU A 53 66.418 31.396 22.454 1.00 1.00 O ATOM 837 CB LEU A 53 69.452 30.149 22.930 1.00 1.00 C ATOM 838 CG LEU A 53 70.783 30.412 23.658 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.399 29.079 24.110 1.00 1.00 C ATOM 840 CD2 LEU A 53 71.810 31.168 22.800 1.00 1.00 C ATOM 0 H LEU A 53 68.784 32.191 24.223 1.00 1.00 H new ATOM 0 HA LEU A 53 69.361 31.751 21.459 1.00 1.00 H new ATOM 0 HB2 LEU A 53 68.754 29.693 23.632 1.00 1.00 H new ATOM 0 HB3 LEU A 53 69.626 29.423 22.136 1.00 1.00 H new ATOM 0 HG LEU A 53 70.546 31.046 24.512 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.341 29.269 24.625 1.00 1.00 H new ATOM 0 HD12 LEU A 53 70.712 28.571 24.787 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.582 28.449 23.239 1.00 1.00 H new ATOM 0 HD21 LEU A 53 72.724 31.319 23.375 1.00 1.00 H new ATOM 0 HD22 LEU A 53 72.036 30.586 21.906 1.00 1.00 H new ATOM 0 HD23 LEU A 53 71.400 32.135 22.510 1.00 1.00 H new ATOM 852 N SER A 54 67.321 30.277 20.731 1.00 1.00 N ATOM 853 CA SER A 54 66.087 29.755 20.215 1.00 1.00 C ATOM 854 C SER A 54 65.956 28.305 20.552 1.00 1.00 C ATOM 855 O SER A 54 66.861 27.517 20.283 1.00 1.00 O ATOM 856 CB SER A 54 66.011 29.866 18.681 1.00 1.00 C ATOM 857 OG SER A 54 65.883 31.225 18.284 1.00 1.00 O ATOM 0 H SER A 54 68.131 30.022 20.166 1.00 1.00 H new ATOM 0 HA SER A 54 65.290 30.345 20.669 1.00 1.00 H new ATOM 0 HB2 SER A 54 66.907 29.434 18.235 1.00 1.00 H new ATOM 0 HB3 SER A 54 65.162 29.292 18.311 1.00 1.00 H new ATOM 0 HG SER A 54 65.838 31.277 17.306 1.00 1.00 H new ATOM 863 N MET A 55 64.824 27.857 21.129 1.00 1.00 N ATOM 864 CA MET A 55 64.688 26.519 21.636 1.00 1.00 C ATOM 865 C MET A 55 64.714 25.415 20.623 1.00 1.00 C ATOM 866 O MET A 55 65.070 24.283 20.948 1.00 1.00 O ATOM 867 CB MET A 55 63.467 26.353 22.562 1.00 1.00 C ATOM 868 CG MET A 55 62.088 26.469 21.904 1.00 1.00 C ATOM 869 SD MET A 55 60.739 26.179 23.088 1.00 1.00 S ATOM 870 CE MET A 55 59.415 26.418 21.869 1.00 1.00 C ATOM 0 H MET A 55 63.989 28.430 21.247 1.00 1.00 H new ATOM 0 HA MET A 55 65.605 26.402 22.213 1.00 1.00 H new ATOM 0 HB2 MET A 55 63.534 25.377 23.043 1.00 1.00 H new ATOM 0 HB3 MET A 55 63.533 27.103 23.351 1.00 1.00 H new ATOM 0 HG2 MET A 55 61.978 27.461 21.466 1.00 1.00 H new ATOM 0 HG3 MET A 55 62.014 25.750 21.088 1.00 1.00 H new ATOM 0 HE1 MET A 55 58.447 26.290 22.353 1.00 1.00 H new ATOM 0 HE2 MET A 55 59.482 27.423 21.451 1.00 1.00 H new ATOM 0 HE3 MET A 55 59.520 25.685 21.069 1.00 1.00 H new ATOM 880 N ARG A 56 64.403 25.688 19.342 1.00 1.00 N ATOM 881 CA ARG A 56 64.452 24.691 18.310 1.00 1.00 C ATOM 882 C ARG A 56 65.787 24.621 17.635 1.00 1.00 C ATOM 883 O ARG A 56 66.026 23.773 16.777 1.00 1.00 O ATOM 884 CB ARG A 56 63.343 24.937 17.269 1.00 1.00 C ATOM 885 CG ARG A 56 63.523 26.182 16.393 1.00 1.00 C ATOM 886 CD ARG A 56 62.267 26.582 15.612 1.00 1.00 C ATOM 887 NE ARG A 56 61.875 25.463 14.707 1.00 1.00 N ATOM 888 CZ ARG A 56 62.239 25.359 13.404 1.00 1.00 C ATOM 889 NH1 ARG A 56 63.177 26.148 12.828 1.00 1.00 N ATOM 890 NH2 ARG A 56 61.621 24.441 12.621 1.00 1.00 N ATOM 0 H ARG A 56 64.114 26.610 19.016 1.00 1.00 H new ATOM 0 HA ARG A 56 64.288 23.729 18.796 1.00 1.00 H new ATOM 0 HB2 ARG A 56 63.278 24.064 16.620 1.00 1.00 H new ATOM 0 HB3 ARG A 56 62.390 25.017 17.792 1.00 1.00 H new ATOM 0 HG2 ARG A 56 63.827 27.017 17.024 1.00 1.00 H new ATOM 0 HG3 ARG A 56 64.335 26.003 15.688 1.00 1.00 H new ATOM 0 HD2 ARG A 56 61.454 26.811 16.301 1.00 1.00 H new ATOM 0 HD3 ARG A 56 62.457 27.485 15.032 1.00 1.00 H new ATOM 0 HE ARG A 56 61.291 24.722 15.096 1.00 1.00 H new ATOM 0 HH11 ARG A 56 63.649 26.865 13.379 1.00 1.00 H new ATOM 0 HH12 ARG A 56 63.411 26.026 11.843 1.00 1.00 H new ATOM 0 HH21 ARG A 56 60.895 23.842 13.014 1.00 1.00 H new ATOM 0 HH22 ARG A 56 61.882 24.349 11.639 1.00 1.00 H new ATOM 904 N GLN A 57 66.739 25.487 18.032 1.00 1.00 N ATOM 905 CA GLN A 57 68.077 25.507 17.515 1.00 1.00 C ATOM 906 C GLN A 57 69.038 24.833 18.444 1.00 1.00 C ATOM 907 O GLN A 57 70.172 24.540 18.070 1.00 1.00 O ATOM 908 CB GLN A 57 68.513 26.972 17.311 1.00 1.00 C ATOM 909 CG GLN A 57 67.856 27.654 16.102 1.00 1.00 C ATOM 910 CD GLN A 57 68.338 27.086 14.770 1.00 1.00 C ATOM 911 OE1 GLN A 57 69.519 27.124 14.423 1.00 1.00 O ATOM 912 NE2 GLN A 57 67.377 26.564 13.965 1.00 1.00 N ATOM 0 H GLN A 57 66.572 26.201 18.740 1.00 1.00 H new ATOM 0 HA GLN A 57 68.086 24.965 16.569 1.00 1.00 H new ATOM 0 HB2 GLN A 57 68.275 27.540 18.210 1.00 1.00 H new ATOM 0 HB3 GLN A 57 69.596 27.005 17.190 1.00 1.00 H new ATOM 0 HG2 GLN A 57 66.774 27.541 16.170 1.00 1.00 H new ATOM 0 HG3 GLN A 57 68.067 28.723 16.134 1.00 1.00 H new ATOM 0 HE21 GLN A 57 66.406 26.545 14.277 1.00 1.00 H new ATOM 0 HE22 GLN A 57 67.626 26.191 13.049 1.00 1.00 H new ATOM 921 N ILE A 58 68.618 24.503 19.678 1.00 1.00 N ATOM 922 CA ILE A 58 69.439 23.863 20.666 1.00 1.00 C ATOM 923 C ILE A 58 68.803 22.583 21.110 1.00 1.00 C ATOM 924 O ILE A 58 67.580 22.459 21.153 1.00 1.00 O ATOM 925 CB ILE A 58 69.717 24.732 21.866 1.00 1.00 C ATOM 926 CG1 ILE A 58 68.428 25.275 22.517 1.00 1.00 C ATOM 927 CG2 ILE A 58 70.660 25.864 21.421 1.00 1.00 C ATOM 928 CD1 ILE A 58 68.664 26.060 23.807 1.00 1.00 C ATOM 0 H ILE A 58 67.669 24.688 20.003 1.00 1.00 H new ATOM 0 HA ILE A 58 70.399 23.666 20.188 1.00 1.00 H new ATOM 0 HB ILE A 58 70.194 24.134 22.642 1.00 1.00 H new ATOM 0 HG12 ILE A 58 67.915 25.918 21.802 1.00 1.00 H new ATOM 0 HG13 ILE A 58 67.761 24.439 22.730 1.00 1.00 H new ATOM 0 HG21 ILE A 58 70.879 26.510 22.271 1.00 1.00 H new ATOM 0 HG22 ILE A 58 71.588 25.436 21.042 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.182 26.448 20.635 1.00 1.00 H new ATOM 0 HD11 ILE A 58 67.709 26.407 24.201 1.00 1.00 H new ATOM 0 HD12 ILE A 58 69.147 25.416 24.542 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.304 26.917 23.599 1.00 1.00 H new ATOM 940 N ARG A 59 69.613 21.562 21.443 1.00 1.00 N ATOM 941 CA ARG A 59 69.164 20.341 22.050 1.00 1.00 C ATOM 942 C ARG A 59 70.148 19.974 23.115 1.00 1.00 C ATOM 943 O ARG A 59 71.306 20.388 23.075 1.00 1.00 O ATOM 944 CB ARG A 59 69.065 19.167 21.056 1.00 1.00 C ATOM 945 CG ARG A 59 67.906 19.228 20.050 1.00 1.00 C ATOM 946 CD ARG A 59 66.504 18.974 20.616 1.00 1.00 C ATOM 947 NE ARG A 59 65.980 20.279 21.108 1.00 1.00 N ATOM 948 CZ ARG A 59 64.762 20.469 21.676 1.00 1.00 C ATOM 949 NH1 ARG A 59 63.948 19.434 21.993 1.00 1.00 N ATOM 950 NH2 ARG A 59 64.351 21.735 21.935 1.00 1.00 N ATOM 0 H ARG A 59 70.620 21.585 21.284 1.00 1.00 H new ATOM 0 HA ARG A 59 68.162 20.514 22.443 1.00 1.00 H new ATOM 0 HB2 ARG A 59 70.000 19.110 20.499 1.00 1.00 H new ATOM 0 HB3 ARG A 59 68.976 18.242 21.626 1.00 1.00 H new ATOM 0 HG2 ARG A 59 67.912 20.211 19.579 1.00 1.00 H new ATOM 0 HG3 ARG A 59 68.096 18.497 19.264 1.00 1.00 H new ATOM 0 HD2 ARG A 59 65.849 18.562 19.848 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.543 18.246 21.426 1.00 1.00 H new ATOM 0 HE ARG A 59 66.585 21.095 21.010 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.244 18.476 21.806 1.00 1.00 H new ATOM 0 HH12 ARG A 59 63.039 19.612 22.419 1.00 1.00 H new ATOM 0 HH21 ARG A 59 64.954 22.524 21.703 1.00 1.00 H new ATOM 0 HH22 ARG A 59 63.439 21.898 22.361 1.00 1.00 H new ATOM 964 N PHE A 60 69.710 19.206 24.130 1.00 1.00 N ATOM 965 CA PHE A 60 70.487 18.887 25.292 1.00 1.00 C ATOM 966 C PHE A 60 70.797 17.423 25.337 1.00 1.00 C ATOM 967 O PHE A 60 70.031 16.568 24.893 1.00 1.00 O ATOM 968 CB PHE A 60 69.723 19.217 26.591 1.00 1.00 C ATOM 969 CG PHE A 60 69.427 20.651 26.887 1.00 1.00 C ATOM 970 CD1 PHE A 60 69.920 21.732 26.177 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.629 20.897 27.991 1.00 1.00 C ATOM 972 CE1 PHE A 60 69.600 23.026 26.546 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.311 22.186 28.376 1.00 1.00 C ATOM 974 CZ PHE A 60 68.796 23.255 27.647 1.00 1.00 C ATOM 0 H PHE A 60 68.779 18.790 24.143 1.00 1.00 H new ATOM 0 HA PHE A 60 71.398 19.481 25.224 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.775 18.679 26.567 1.00 1.00 H new ATOM 0 HB3 PHE A 60 70.296 18.815 27.426 1.00 1.00 H new ATOM 0 HD1 PHE A 60 70.562 21.563 25.325 1.00 1.00 H new ATOM 0 HD2 PHE A 60 68.247 20.065 28.563 1.00 1.00 H new ATOM 0 HE1 PHE A 60 69.979 23.859 25.973 1.00 1.00 H new ATOM 0 HE2 PHE A 60 67.687 22.356 29.241 1.00 1.00 H new ATOM 0 HZ PHE A 60 68.548 24.266 27.936 1.00 1.00 H new ATOM 984 N ARG A 61 71.963 17.069 25.909 1.00 1.00 N ATOM 985 CA ARG A 61 72.357 15.717 26.165 1.00 1.00 C ATOM 986 C ARG A 61 72.975 15.654 27.527 1.00 1.00 C ATOM 987 O ARG A 61 73.436 16.654 28.077 1.00 1.00 O ATOM 988 CB ARG A 61 73.310 15.187 25.075 1.00 1.00 C ATOM 989 CG ARG A 61 74.717 15.796 25.098 1.00 1.00 C ATOM 990 CD ARG A 61 75.610 15.399 23.920 1.00 1.00 C ATOM 991 NE ARG A 61 76.990 15.818 24.302 1.00 1.00 N ATOM 992 CZ ARG A 61 77.917 16.319 23.447 1.00 1.00 C ATOM 993 NH1 ARG A 61 77.701 16.483 22.120 1.00 1.00 N ATOM 994 NH2 ARG A 61 79.146 16.681 23.891 1.00 1.00 N ATOM 0 H ARG A 61 72.660 17.753 26.205 1.00 1.00 H new ATOM 0 HA ARG A 61 71.481 15.069 26.137 1.00 1.00 H new ATOM 0 HB2 ARG A 61 73.396 14.106 25.182 1.00 1.00 H new ATOM 0 HB3 ARG A 61 72.864 15.376 24.099 1.00 1.00 H new ATOM 0 HG2 ARG A 61 74.627 16.882 25.117 1.00 1.00 H new ATOM 0 HG3 ARG A 61 75.210 15.501 26.024 1.00 1.00 H new ATOM 0 HD2 ARG A 61 75.563 14.325 23.737 1.00 1.00 H new ATOM 0 HD3 ARG A 61 75.291 15.893 23.002 1.00 1.00 H new ATOM 0 HE ARG A 61 77.257 15.720 25.281 1.00 1.00 H new ATOM 0 HH11 ARG A 61 76.802 16.224 21.714 1.00 1.00 H new ATOM 0 HH12 ARG A 61 78.438 16.865 21.527 1.00 1.00 H new ATOM 0 HH21 ARG A 61 79.383 16.578 24.878 1.00 1.00 H new ATOM 0 HH22 ARG A 61 79.834 17.056 23.238 1.00 1.00 H new ATOM 1008 N PHE A 62 72.975 14.461 28.147 1.00 1.00 N ATOM 1009 CA PHE A 62 73.543 14.239 29.444 1.00 1.00 C ATOM 1010 C PHE A 62 74.410 13.022 29.381 1.00 1.00 C ATOM 1011 O PHE A 62 73.925 11.913 29.155 1.00 1.00 O ATOM 1012 CB PHE A 62 72.414 14.055 30.473 1.00 1.00 C ATOM 1013 CG PHE A 62 72.917 14.071 31.880 1.00 1.00 C ATOM 1014 CD1 PHE A 62 73.107 15.273 32.535 1.00 1.00 C ATOM 1015 CD2 PHE A 62 73.165 12.888 32.553 1.00 1.00 C ATOM 1016 CE1 PHE A 62 73.501 15.297 33.861 1.00 1.00 C ATOM 1017 CE2 PHE A 62 73.578 12.902 33.872 1.00 1.00 C ATOM 1018 CZ PHE A 62 73.731 14.108 34.529 1.00 1.00 C ATOM 0 H PHE A 62 72.567 13.622 27.734 1.00 1.00 H new ATOM 0 HA PHE A 62 74.147 15.093 29.749 1.00 1.00 H new ATOM 0 HB2 PHE A 62 71.677 14.847 30.345 1.00 1.00 H new ATOM 0 HB3 PHE A 62 71.904 13.111 30.283 1.00 1.00 H new ATOM 0 HD1 PHE A 62 72.947 16.202 32.007 1.00 1.00 H new ATOM 0 HD2 PHE A 62 73.035 11.945 32.043 1.00 1.00 H new ATOM 0 HE1 PHE A 62 73.628 16.240 34.372 1.00 1.00 H new ATOM 0 HE2 PHE A 62 73.780 11.974 34.387 1.00 1.00 H new ATOM 0 HZ PHE A 62 74.031 14.122 35.566 1.00 1.00 H new ATOM 1028 N ASP A 63 75.733 13.194 29.555 1.00 1.00 N ATOM 1029 CA ASP A 63 76.726 12.159 29.482 1.00 1.00 C ATOM 1030 C ASP A 63 76.672 11.367 28.207 1.00 1.00 C ATOM 1031 O ASP A 63 76.690 10.137 28.189 1.00 1.00 O ATOM 1032 CB ASP A 63 76.685 11.317 30.774 1.00 1.00 C ATOM 1033 CG ASP A 63 77.911 10.443 30.973 1.00 1.00 C ATOM 1034 OD1 ASP A 63 79.032 10.842 30.561 1.00 1.00 O ATOM 1035 OD2 ASP A 63 77.772 9.344 31.574 1.00 1.00 O ATOM 0 H ASP A 63 76.136 14.109 29.759 1.00 1.00 H new ATOM 0 HA ASP A 63 77.712 12.620 29.430 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.583 11.985 31.629 1.00 1.00 H new ATOM 0 HB3 ASP A 63 75.798 10.684 30.757 1.00 1.00 H new ATOM 1040 N GLY A 64 76.570 12.060 27.057 1.00 1.00 N ATOM 1041 CA GLY A 64 76.495 11.452 25.758 1.00 1.00 C ATOM 1042 C GLY A 64 75.176 10.870 25.360 1.00 1.00 C ATOM 1043 O GLY A 64 75.085 10.230 24.315 1.00 1.00 O ATOM 0 H GLY A 64 76.538 13.079 27.028 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.774 12.201 25.016 1.00 1.00 H new ATOM 0 HA3 GLY A 64 77.244 10.661 25.710 1.00 1.00 H new ATOM 1047 N GLN A 65 74.107 11.038 26.160 1.00 1.00 N ATOM 1048 CA GLN A 65 72.810 10.478 25.901 1.00 1.00 C ATOM 1049 C GLN A 65 71.795 11.572 25.756 1.00 1.00 C ATOM 1050 O GLN A 65 71.803 12.470 26.598 1.00 1.00 O ATOM 1051 CB GLN A 65 72.374 9.569 27.068 1.00 1.00 C ATOM 1052 CG GLN A 65 73.293 8.375 27.362 1.00 1.00 C ATOM 1053 CD GLN A 65 73.100 7.214 26.393 1.00 1.00 C ATOM 1054 OE1 GLN A 65 72.350 6.275 26.659 1.00 1.00 O ATOM 1055 NE2 GLN A 65 73.803 7.250 25.232 1.00 1.00 N ATOM 0 H GLN A 65 74.144 11.584 27.021 1.00 1.00 H new ATOM 0 HA GLN A 65 72.872 9.897 24.981 1.00 1.00 H new ATOM 0 HB2 GLN A 65 72.300 10.177 27.970 1.00 1.00 H new ATOM 0 HB3 GLN A 65 71.374 9.191 26.855 1.00 1.00 H new ATOM 0 HG2 GLN A 65 74.331 8.705 27.321 1.00 1.00 H new ATOM 0 HG3 GLN A 65 73.110 8.026 28.378 1.00 1.00 H new ATOM 0 HE21 GLN A 65 74.419 8.039 25.033 1.00 1.00 H new ATOM 0 HE22 GLN A 65 73.715 6.489 24.559 1.00 1.00 H new ATOM 1064 N PRO A 66 70.912 11.632 24.793 1.00 1.00 N ATOM 1065 CA PRO A 66 69.992 12.731 24.640 1.00 1.00 C ATOM 1066 C PRO A 66 68.894 12.726 25.659 1.00 1.00 C ATOM 1067 O PRO A 66 68.404 11.660 26.031 1.00 1.00 O ATOM 1068 CB PRO A 66 69.444 12.579 23.219 1.00 1.00 C ATOM 1069 CG PRO A 66 69.600 11.087 22.892 1.00 1.00 C ATOM 1070 CD PRO A 66 70.878 10.720 23.657 1.00 1.00 C ATOM 0 HA PRO A 66 70.492 13.687 24.797 1.00 1.00 H new ATOM 0 HB2 PRO A 66 68.400 12.889 23.163 1.00 1.00 H new ATOM 0 HB3 PRO A 66 69.998 13.198 22.514 1.00 1.00 H new ATOM 0 HG2 PRO A 66 68.742 10.504 23.229 1.00 1.00 H new ATOM 0 HG3 PRO A 66 69.703 10.913 21.821 1.00 1.00 H new ATOM 0 HD2 PRO A 66 70.857 9.681 23.985 1.00 1.00 H new ATOM 0 HD3 PRO A 66 71.761 10.838 23.029 1.00 1.00 H new ATOM 1078 N ILE A 67 68.480 13.908 26.154 1.00 1.00 N ATOM 1079 CA ILE A 67 67.502 14.067 27.194 1.00 1.00 C ATOM 1080 C ILE A 67 66.344 14.865 26.688 1.00 1.00 C ATOM 1081 O ILE A 67 66.495 15.753 25.849 1.00 1.00 O ATOM 1082 CB ILE A 67 68.053 14.718 28.435 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.905 15.961 28.116 1.00 1.00 C ATOM 1084 CG2 ILE A 67 68.867 13.666 29.208 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.241 16.813 29.341 1.00 1.00 C ATOM 0 H ILE A 67 68.844 14.798 25.814 1.00 1.00 H new ATOM 0 HA ILE A 67 67.183 13.063 27.474 1.00 1.00 H new ATOM 0 HB ILE A 67 67.225 15.076 29.047 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.833 15.641 27.642 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.373 16.578 27.391 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.277 14.116 30.113 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.220 12.832 29.479 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.682 13.304 28.581 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.843 17.669 29.035 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.319 17.164 29.804 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.801 16.214 30.058 1.00 1.00 H new ATOM 1097 N ASN A 68 65.116 14.560 27.149 1.00 1.00 N ATOM 1098 CA ASN A 68 63.928 15.054 26.514 1.00 1.00 C ATOM 1099 C ASN A 68 63.247 16.072 27.370 1.00 1.00 C ATOM 1100 O ASN A 68 63.446 16.151 28.580 1.00 1.00 O ATOM 1101 CB ASN A 68 62.926 13.917 26.234 1.00 1.00 C ATOM 1102 CG ASN A 68 63.552 12.944 25.247 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.428 13.111 24.033 1.00 1.00 O ATOM 1104 ND2 ASN A 68 64.266 11.915 25.769 1.00 1.00 N ATOM 0 H ASN A 68 64.944 13.970 27.963 1.00 1.00 H new ATOM 0 HA ASN A 68 64.242 15.506 25.573 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.670 13.403 27.160 1.00 1.00 H new ATOM 0 HB3 ASN A 68 61.999 14.322 25.828 1.00 1.00 H new ATOM 0 HD21 ASN A 68 64.723 11.246 25.150 1.00 1.00 H new ATOM 0 HD22 ASN A 68 64.345 11.811 26.781 1.00 1.00 H new ATOM 1111 N GLU A 69 62.339 16.875 26.790 1.00 1.00 N ATOM 1112 CA GLU A 69 61.544 17.830 27.509 1.00 1.00 C ATOM 1113 C GLU A 69 60.503 17.186 28.372 1.00 1.00 C ATOM 1114 O GLU A 69 59.924 17.815 29.257 1.00 1.00 O ATOM 1115 CB GLU A 69 60.900 18.787 26.491 1.00 1.00 C ATOM 1116 CG GLU A 69 61.959 19.686 25.840 1.00 1.00 C ATOM 1117 CD GLU A 69 61.477 20.228 24.505 1.00 1.00 C ATOM 1118 OE1 GLU A 69 61.711 19.560 23.463 1.00 1.00 O ATOM 1119 OE2 GLU A 69 60.871 21.332 24.485 1.00 1.00 O ATOM 0 H GLU A 69 62.149 16.862 25.788 1.00 1.00 H new ATOM 0 HA GLU A 69 62.194 18.379 28.190 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.382 18.213 25.723 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.150 19.403 26.988 1.00 1.00 H new ATOM 0 HG2 GLU A 69 62.196 20.515 26.507 1.00 1.00 H new ATOM 0 HG3 GLU A 69 62.880 19.121 25.695 1.00 1.00 H new ATOM 1126 N THR A 70 60.259 15.883 28.145 1.00 1.00 N ATOM 1127 CA THR A 70 59.473 14.999 28.959 1.00 1.00 C ATOM 1128 C THR A 70 60.248 14.433 30.112 1.00 1.00 C ATOM 1129 O THR A 70 59.674 13.894 31.058 1.00 1.00 O ATOM 1130 CB THR A 70 58.929 13.846 28.152 1.00 1.00 C ATOM 1131 OG1 THR A 70 58.563 14.251 26.842 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.638 13.296 28.778 1.00 1.00 C ATOM 0 H THR A 70 60.641 15.408 27.327 1.00 1.00 H new ATOM 0 HA THR A 70 58.657 15.609 29.346 1.00 1.00 H new ATOM 0 HB THR A 70 59.724 13.101 28.131 1.00 1.00 H new ATOM 0 HG1 THR A 70 58.216 13.480 26.346 1.00 1.00 H new ATOM 0 HG21 THR A 70 57.267 12.466 28.177 1.00 1.00 H new ATOM 0 HG22 THR A 70 57.844 12.947 29.790 1.00 1.00 H new ATOM 0 HG23 THR A 70 56.886 14.084 28.812 1.00 1.00 H new ATOM 1140 N ASP A 71 61.591 14.530 30.113 1.00 1.00 N ATOM 1141 CA ASP A 71 62.445 14.060 31.164 1.00 1.00 C ATOM 1142 C ASP A 71 62.585 15.076 32.259 1.00 1.00 C ATOM 1143 O ASP A 71 62.117 16.212 32.188 1.00 1.00 O ATOM 1144 CB ASP A 71 63.818 13.640 30.603 1.00 1.00 C ATOM 1145 CG ASP A 71 63.754 12.393 29.737 1.00 1.00 C ATOM 1146 OD1 ASP A 71 62.959 11.467 30.048 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.554 12.289 28.769 1.00 1.00 O ATOM 0 H ASP A 71 62.107 14.957 29.344 1.00 1.00 H new ATOM 0 HA ASP A 71 61.978 13.179 31.605 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.230 14.461 30.017 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.504 13.464 31.432 1.00 1.00 H new ATOM 1152 N THR A 72 63.232 14.684 33.372 1.00 1.00 N ATOM 1153 CA THR A 72 63.149 15.387 34.626 1.00 1.00 C ATOM 1154 C THR A 72 64.443 15.273 35.369 1.00 1.00 C ATOM 1155 O THR A 72 65.187 14.325 35.118 1.00 1.00 O ATOM 1156 CB THR A 72 62.042 14.992 35.576 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.103 13.636 35.993 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.656 15.198 34.944 1.00 1.00 C ATOM 0 H THR A 72 63.829 13.858 33.406 1.00 1.00 H new ATOM 0 HA THR A 72 62.915 16.404 34.313 1.00 1.00 H new ATOM 0 HB THR A 72 62.188 15.640 36.440 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.361 13.448 36.605 1.00 1.00 H new ATOM 0 HG21 THR A 72 59.884 14.904 35.655 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.528 16.249 34.683 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.572 14.588 34.045 1.00 1.00 H new ATOM 1166 N PRO A 73 64.786 16.145 36.284 1.00 1.00 N ATOM 1167 CA PRO A 73 65.916 15.969 37.158 1.00 1.00 C ATOM 1168 C PRO A 73 65.867 14.751 38.023 1.00 1.00 C ATOM 1169 O PRO A 73 66.930 14.203 38.313 1.00 1.00 O ATOM 1170 CB PRO A 73 65.972 17.243 38.003 1.00 1.00 C ATOM 1171 CG PRO A 73 65.306 18.306 37.119 1.00 1.00 C ATOM 1172 CD PRO A 73 64.218 17.481 36.421 1.00 1.00 C ATOM 0 HA PRO A 73 66.811 15.808 36.558 1.00 1.00 H new ATOM 0 HB2 PRO A 73 65.441 17.119 38.947 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.999 17.514 38.248 1.00 1.00 H new ATOM 0 HG2 PRO A 73 64.888 19.125 37.705 1.00 1.00 H new ATOM 0 HG3 PRO A 73 66.006 18.747 36.409 1.00 1.00 H new ATOM 0 HD2 PRO A 73 63.300 17.461 37.009 1.00 1.00 H new ATOM 0 HD3 PRO A 73 63.965 17.904 35.449 1.00 1.00 H new ATOM 1180 N ALA A 74 64.673 14.305 38.455 1.00 1.00 N ATOM 1181 CA ALA A 74 64.509 13.101 39.218 1.00 1.00 C ATOM 1182 C ALA A 74 64.884 11.863 38.466 1.00 1.00 C ATOM 1183 O ALA A 74 65.617 11.003 38.953 1.00 1.00 O ATOM 1184 CB ALA A 74 63.029 12.950 39.611 1.00 1.00 C ATOM 0 H ALA A 74 63.797 14.793 38.270 1.00 1.00 H new ATOM 0 HA ALA A 74 65.169 13.197 40.080 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.898 12.037 40.191 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.722 13.807 40.210 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.417 12.899 38.711 1.00 1.00 H new ATOM 1190 N GLN A 75 64.409 11.771 37.211 1.00 1.00 N ATOM 1191 CA GLN A 75 64.636 10.687 36.301 1.00 1.00 C ATOM 1192 C GLN A 75 66.055 10.588 35.839 1.00 1.00 C ATOM 1193 O GLN A 75 66.610 9.500 35.698 1.00 1.00 O ATOM 1194 CB GLN A 75 63.700 10.833 35.087 1.00 1.00 C ATOM 1195 CG GLN A 75 62.269 10.362 35.378 1.00 1.00 C ATOM 1196 CD GLN A 75 61.360 10.546 34.168 1.00 1.00 C ATOM 1197 OE1 GLN A 75 61.085 9.617 33.409 1.00 1.00 O ATOM 1198 NE2 GLN A 75 60.874 11.797 33.963 1.00 1.00 N ATOM 0 H GLN A 75 63.827 12.503 36.804 1.00 1.00 H new ATOM 0 HA GLN A 75 64.422 9.766 36.844 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.677 11.877 34.775 1.00 1.00 H new ATOM 0 HB3 GLN A 75 64.103 10.260 34.252 1.00 1.00 H new ATOM 0 HG2 GLN A 75 62.283 9.311 35.667 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.867 10.920 36.224 1.00 1.00 H new ATOM 0 HE21 GLN A 75 61.117 12.550 34.607 1.00 1.00 H new ATOM 0 HE22 GLN A 75 60.266 11.984 33.165 1.00 1.00 H new ATOM 1207 N LEU A 76 66.700 11.742 35.587 1.00 1.00 N ATOM 1208 CA LEU A 76 68.065 11.810 35.152 1.00 1.00 C ATOM 1209 C LEU A 76 69.046 11.773 36.284 1.00 1.00 C ATOM 1210 O LEU A 76 70.253 11.627 36.092 1.00 1.00 O ATOM 1211 CB LEU A 76 68.190 13.117 34.348 1.00 1.00 C ATOM 1212 CG LEU A 76 69.432 13.258 33.452 1.00 1.00 C ATOM 1213 CD1 LEU A 76 69.534 12.117 32.427 1.00 1.00 C ATOM 1214 CD2 LEU A 76 69.362 14.620 32.742 1.00 1.00 C ATOM 0 H LEU A 76 66.260 12.657 35.688 1.00 1.00 H new ATOM 0 HA LEU A 76 68.308 10.936 34.548 1.00 1.00 H new ATOM 0 HB2 LEU A 76 67.304 13.217 33.721 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.180 13.951 35.050 1.00 1.00 H new ATOM 0 HG LEU A 76 70.326 13.199 34.073 1.00 1.00 H new ATOM 0 HD11 LEU A 76 70.425 12.256 31.815 1.00 1.00 H new ATOM 0 HD12 LEU A 76 69.598 11.163 32.950 1.00 1.00 H new ATOM 0 HD13 LEU A 76 68.651 12.122 31.788 1.00 1.00 H new ATOM 0 HD21 LEU A 76 70.235 14.741 32.100 1.00 1.00 H new ATOM 0 HD22 LEU A 76 68.457 14.669 32.137 1.00 1.00 H new ATOM 0 HD23 LEU A 76 69.345 15.417 33.485 1.00 1.00 H new ATOM 1226 N GLU A 77 68.535 11.861 37.525 1.00 1.00 N ATOM 1227 CA GLU A 77 69.218 11.738 38.782 1.00 1.00 C ATOM 1228 C GLU A 77 70.238 12.801 39.055 1.00 1.00 C ATOM 1229 O GLU A 77 71.337 12.547 39.550 1.00 1.00 O ATOM 1230 CB GLU A 77 69.781 10.324 39.028 1.00 1.00 C ATOM 1231 CG GLU A 77 68.752 9.208 38.802 1.00 1.00 C ATOM 1232 CD GLU A 77 69.287 7.843 39.201 1.00 1.00 C ATOM 1233 OE1 GLU A 77 70.346 7.414 38.668 1.00 1.00 O ATOM 1234 OE2 GLU A 77 68.652 7.175 40.061 1.00 1.00 O ATOM 0 H GLU A 77 67.540 12.037 37.662 1.00 1.00 H new ATOM 0 HA GLU A 77 68.432 11.906 39.518 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.633 10.161 38.368 1.00 1.00 H new ATOM 0 HB3 GLU A 77 70.153 10.263 40.051 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.851 9.425 39.376 1.00 1.00 H new ATOM 0 HG3 GLU A 77 68.463 9.190 37.751 1.00 1.00 H new ATOM 1241 N MET A 78 69.894 14.062 38.738 1.00 1.00 N ATOM 1242 CA MET A 78 70.652 15.259 38.949 1.00 1.00 C ATOM 1243 C MET A 78 70.703 15.712 40.374 1.00 1.00 C ATOM 1244 O MET A 78 69.865 15.352 41.200 1.00 1.00 O ATOM 1245 CB MET A 78 70.198 16.350 37.963 1.00 1.00 C ATOM 1246 CG MET A 78 70.542 15.953 36.522 1.00 1.00 C ATOM 1247 SD MET A 78 70.463 17.300 35.305 1.00 1.00 S ATOM 1248 CE MET A 78 68.652 17.413 35.251 1.00 1.00 C ATOM 0 H MET A 78 68.999 14.261 38.291 1.00 1.00 H new ATOM 0 HA MET A 78 71.695 15.027 38.732 1.00 1.00 H new ATOM 0 HB2 MET A 78 69.123 16.507 38.056 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.681 17.295 38.211 1.00 1.00 H new ATOM 0 HG2 MET A 78 71.547 15.532 36.509 1.00 1.00 H new ATOM 0 HG3 MET A 78 69.861 15.162 36.208 1.00 1.00 H new ATOM 0 HE1 MET A 78 68.354 18.105 34.463 1.00 1.00 H new ATOM 0 HE2 MET A 78 68.232 16.428 35.047 1.00 1.00 H new ATOM 0 HE3 MET A 78 68.281 17.774 36.210 1.00 1.00 H new ATOM 1258 N GLU A 79 71.763 16.456 40.738 1.00 1.00 N ATOM 1259 CA GLU A 79 72.108 16.786 42.091 1.00 1.00 C ATOM 1260 C GLU A 79 72.253 18.272 42.168 1.00 1.00 C ATOM 1261 O GLU A 79 71.966 18.981 41.206 1.00 1.00 O ATOM 1262 CB GLU A 79 73.407 16.080 42.527 1.00 1.00 C ATOM 1263 CG GLU A 79 73.216 14.609 42.922 1.00 1.00 C ATOM 1264 CD GLU A 79 72.655 14.441 44.325 1.00 1.00 C ATOM 1265 OE1 GLU A 79 73.340 14.845 45.301 1.00 1.00 O ATOM 1266 OE2 GLU A 79 71.541 13.869 44.473 1.00 1.00 O ATOM 0 H GLU A 79 72.413 16.848 40.057 1.00 1.00 H new ATOM 0 HA GLU A 79 71.327 16.444 42.771 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.130 16.136 41.713 1.00 1.00 H new ATOM 0 HB3 GLU A 79 73.836 16.620 43.371 1.00 1.00 H new ATOM 0 HG2 GLU A 79 72.545 14.131 42.208 1.00 1.00 H new ATOM 0 HG3 GLU A 79 74.174 14.093 42.855 1.00 1.00 H new ATOM 1273 N ASP A 80 72.671 18.807 43.331 1.00 1.00 N ATOM 1274 CA ASP A 80 72.722 20.205 43.646 1.00 1.00 C ATOM 1275 C ASP A 80 73.522 21.081 42.729 1.00 1.00 C ATOM 1276 O ASP A 80 73.229 22.271 42.633 1.00 1.00 O ATOM 1277 CB ASP A 80 72.965 20.454 45.147 1.00 1.00 C ATOM 1278 CG ASP A 80 74.345 20.003 45.591 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.606 18.771 45.619 1.00 1.00 O ATOM 1280 OD2 ASP A 80 75.204 20.870 45.897 1.00 1.00 O ATOM 0 H ASP A 80 72.995 18.224 44.103 1.00 1.00 H new ATOM 0 HA ASP A 80 71.714 20.557 43.426 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.846 21.516 45.360 1.00 1.00 H new ATOM 0 HB3 ASP A 80 72.209 19.926 45.728 1.00 1.00 H new ATOM 1285 N GLU A 81 74.539 20.531 42.041 1.00 1.00 N ATOM 1286 CA GLU A 81 75.130 21.149 40.886 1.00 1.00 C ATOM 1287 C GLU A 81 75.396 20.152 39.800 1.00 1.00 C ATOM 1288 O GLU A 81 76.472 19.555 39.754 1.00 1.00 O ATOM 1289 CB GLU A 81 76.444 21.904 41.179 1.00 1.00 C ATOM 1290 CG GLU A 81 76.253 23.195 41.988 1.00 1.00 C ATOM 1291 CD GLU A 81 77.469 24.102 41.920 1.00 1.00 C ATOM 1292 OE1 GLU A 81 77.813 24.573 40.804 1.00 1.00 O ATOM 1293 OE2 GLU A 81 78.088 24.386 42.980 1.00 1.00 O ATOM 0 H GLU A 81 74.963 19.637 42.290 1.00 1.00 H new ATOM 0 HA GLU A 81 74.387 21.878 40.563 1.00 1.00 H new ATOM 0 HB2 GLU A 81 77.118 21.242 41.723 1.00 1.00 H new ATOM 0 HB3 GLU A 81 76.930 22.147 40.234 1.00 1.00 H new ATOM 0 HG2 GLU A 81 75.381 23.731 41.613 1.00 1.00 H new ATOM 0 HG3 GLU A 81 76.048 22.942 43.028 1.00 1.00 H new ATOM 1300 N ASP A 82 74.469 19.938 38.845 1.00 1.00 N ATOM 1301 CA ASP A 82 74.686 19.086 37.710 1.00 1.00 C ATOM 1302 C ASP A 82 75.020 19.798 36.435 1.00 1.00 C ATOM 1303 O ASP A 82 74.841 21.008 36.313 1.00 1.00 O ATOM 1304 CB ASP A 82 73.474 18.162 37.476 1.00 1.00 C ATOM 1305 CG ASP A 82 73.982 16.749 37.683 1.00 1.00 C ATOM 1306 OD1 ASP A 82 74.694 16.211 36.794 1.00 1.00 O ATOM 1307 OD2 ASP A 82 73.777 16.164 38.778 1.00 1.00 O ATOM 0 H ASP A 82 73.544 20.368 38.861 1.00 1.00 H new ATOM 0 HA ASP A 82 75.570 18.505 37.973 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.667 18.393 38.172 1.00 1.00 H new ATOM 0 HB3 ASP A 82 73.074 18.290 36.470 1.00 1.00 H new ATOM 1312 N THR A 83 75.535 19.054 35.436 1.00 1.00 N ATOM 1313 CA THR A 83 76.027 19.592 34.197 1.00 1.00 C ATOM 1314 C THR A 83 75.401 18.943 33.001 1.00 1.00 C ATOM 1315 O THR A 83 75.517 17.741 32.764 1.00 1.00 O ATOM 1316 CB THR A 83 77.523 19.511 34.028 1.00 1.00 C ATOM 1317 OG1 THR A 83 78.191 19.996 35.185 1.00 1.00 O ATOM 1318 CG2 THR A 83 77.992 20.401 32.864 1.00 1.00 C ATOM 0 H THR A 83 75.613 18.038 35.491 1.00 1.00 H new ATOM 0 HA THR A 83 75.744 20.643 34.256 1.00 1.00 H new ATOM 0 HB THR A 83 77.757 18.462 33.845 1.00 1.00 H new ATOM 0 HG1 THR A 83 79.160 19.933 35.054 1.00 1.00 H new ATOM 0 HG21 THR A 83 79.075 20.326 32.762 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.517 20.072 31.940 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.718 21.437 33.064 1.00 1.00 H new ATOM 1326 N ILE A 84 74.721 19.753 32.170 1.00 1.00 N ATOM 1327 CA ILE A 84 74.052 19.425 30.941 1.00 1.00 C ATOM 1328 C ILE A 84 74.865 19.932 29.791 1.00 1.00 C ATOM 1329 O ILE A 84 75.460 21.007 29.851 1.00 1.00 O ATOM 1330 CB ILE A 84 72.626 19.918 30.881 1.00 1.00 C ATOM 1331 CG1 ILE A 84 71.798 19.195 31.961 1.00 1.00 C ATOM 1332 CG2 ILE A 84 72.009 19.672 29.491 1.00 1.00 C ATOM 1333 CD1 ILE A 84 70.309 19.547 31.959 1.00 1.00 C ATOM 0 H ILE A 84 74.630 20.747 32.382 1.00 1.00 H new ATOM 0 HA ILE A 84 73.974 18.339 30.884 1.00 1.00 H new ATOM 0 HB ILE A 84 72.619 20.993 31.063 1.00 1.00 H new ATOM 0 HG12 ILE A 84 71.904 18.119 31.823 1.00 1.00 H new ATOM 0 HG13 ILE A 84 72.214 19.433 32.940 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.982 20.037 29.479 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.591 20.200 28.736 1.00 1.00 H new ATOM 0 HG23 ILE A 84 72.017 18.604 29.273 1.00 1.00 H new ATOM 0 HD11 ILE A 84 69.803 18.994 32.750 1.00 1.00 H new ATOM 0 HD12 ILE A 84 70.188 20.617 32.130 1.00 1.00 H new ATOM 0 HD13 ILE A 84 69.874 19.282 30.995 1.00 1.00 H new ATOM 1345 N ASP A 85 74.956 19.166 28.688 1.00 1.00 N ATOM 1346 CA ASP A 85 75.747 19.518 27.545 1.00 1.00 C ATOM 1347 C ASP A 85 74.814 19.837 26.418 1.00 1.00 C ATOM 1348 O ASP A 85 73.805 19.165 26.204 1.00 1.00 O ATOM 1349 CB ASP A 85 76.587 18.304 27.109 1.00 1.00 C ATOM 1350 CG ASP A 85 77.701 18.006 28.098 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.680 18.796 28.149 1.00 1.00 O ATOM 1352 OD2 ASP A 85 77.660 16.921 28.737 1.00 1.00 O ATOM 0 H ASP A 85 74.466 18.277 28.587 1.00 1.00 H new ATOM 0 HA ASP A 85 76.393 20.361 27.790 1.00 1.00 H new ATOM 0 HB2 ASP A 85 75.942 17.431 27.014 1.00 1.00 H new ATOM 0 HB3 ASP A 85 77.015 18.493 26.125 1.00 1.00 H new ATOM 1357 N VAL A 86 75.090 20.926 25.678 1.00 1.00 N ATOM 1358 CA VAL A 86 74.208 21.469 24.683 1.00 1.00 C ATOM 1359 C VAL A 86 74.843 21.351 23.333 1.00 1.00 C ATOM 1360 O VAL A 86 76.045 21.571 23.186 1.00 1.00 O ATOM 1361 CB VAL A 86 73.894 22.918 24.957 1.00 1.00 C ATOM 1362 CG1 VAL A 86 72.842 23.472 23.979 1.00 1.00 C ATOM 1363 CG2 VAL A 86 73.389 23.070 26.403 1.00 1.00 C ATOM 0 H VAL A 86 75.960 21.451 25.774 1.00 1.00 H new ATOM 0 HA VAL A 86 73.277 20.903 24.714 1.00 1.00 H new ATOM 0 HB VAL A 86 74.810 23.491 24.817 1.00 1.00 H new ATOM 0 HG11 VAL A 86 72.645 24.519 24.211 1.00 1.00 H new ATOM 0 HG12 VAL A 86 73.216 23.391 22.958 1.00 1.00 H new ATOM 0 HG13 VAL A 86 71.920 22.899 24.074 1.00 1.00 H new ATOM 0 HG21 VAL A 86 73.162 24.118 26.601 1.00 1.00 H new ATOM 0 HG22 VAL A 86 72.488 22.472 26.539 1.00 1.00 H new ATOM 0 HG23 VAL A 86 74.159 22.729 27.095 1.00 1.00 H new ATOM 1373 N PHE A 87 74.067 20.983 22.295 1.00 1.00 N ATOM 1374 CA PHE A 87 74.533 20.987 20.937 1.00 1.00 C ATOM 1375 C PHE A 87 73.587 21.751 20.063 1.00 1.00 C ATOM 1376 O PHE A 87 72.366 21.672 20.195 1.00 1.00 O ATOM 1377 CB PHE A 87 74.712 19.550 20.412 1.00 1.00 C ATOM 1378 CG PHE A 87 75.740 19.464 19.332 1.00 1.00 C ATOM 1379 CD1 PHE A 87 77.075 19.314 19.664 1.00 1.00 C ATOM 1380 CD2 PHE A 87 75.382 19.534 17.997 1.00 1.00 C ATOM 1381 CE1 PHE A 87 78.042 19.230 18.678 1.00 1.00 C ATOM 1382 CE2 PHE A 87 76.343 19.463 17.006 1.00 1.00 C ATOM 1383 CZ PHE A 87 77.675 19.309 17.347 1.00 1.00 C ATOM 0 H PHE A 87 73.099 20.677 22.399 1.00 1.00 H new ATOM 0 HA PHE A 87 75.505 21.479 20.912 1.00 1.00 H new ATOM 0 HB2 PHE A 87 74.999 18.898 21.237 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.758 19.183 20.033 1.00 1.00 H new ATOM 0 HD1 PHE A 87 77.365 19.262 20.703 1.00 1.00 H new ATOM 0 HD2 PHE A 87 74.342 19.645 17.727 1.00 1.00 H new ATOM 0 HE1 PHE A 87 79.080 19.103 18.947 1.00 1.00 H new ATOM 0 HE2 PHE A 87 76.055 19.528 15.967 1.00 1.00 H new ATOM 0 HZ PHE A 87 78.427 19.251 16.574 1.00 1.00 H new ATOM 1393 N GLN A 88 74.134 22.535 19.116 1.00 1.00 N ATOM 1394 CA GLN A 88 73.382 23.377 18.231 1.00 1.00 C ATOM 1395 C GLN A 88 73.009 22.655 16.972 1.00 1.00 C ATOM 1396 O GLN A 88 73.842 22.053 16.295 1.00 1.00 O ATOM 1397 CB GLN A 88 74.128 24.690 17.920 1.00 1.00 C ATOM 1398 CG GLN A 88 73.229 25.783 17.327 1.00 1.00 C ATOM 1399 CD GLN A 88 73.990 27.040 16.916 1.00 1.00 C ATOM 1400 OE1 GLN A 88 73.883 27.496 15.777 1.00 1.00 O ATOM 1401 NE2 GLN A 88 74.765 27.637 17.857 1.00 1.00 N ATOM 0 H GLN A 88 75.141 22.586 18.959 1.00 1.00 H new ATOM 0 HA GLN A 88 72.459 23.641 18.748 1.00 1.00 H new ATOM 0 HB2 GLN A 88 74.584 25.064 18.836 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.939 24.481 17.223 1.00 1.00 H new ATOM 0 HG2 GLN A 88 72.709 25.382 16.457 1.00 1.00 H new ATOM 0 HG3 GLN A 88 72.467 26.052 18.058 1.00 1.00 H new ATOM 0 HE21 GLN A 88 74.833 27.235 18.792 1.00 1.00 H new ATOM 0 HE22 GLN A 88 75.279 28.488 17.629 1.00 1.00 H new ATOM 1410 N GLN A 89 71.705 22.658 16.642 1.00 1.00 N ATOM 1411 CA GLN A 89 71.084 21.837 15.644 1.00 1.00 C ATOM 1412 C GLN A 89 71.102 22.370 14.246 1.00 1.00 C ATOM 1413 O GLN A 89 71.556 23.480 13.968 1.00 1.00 O ATOM 1414 CB GLN A 89 69.623 21.567 16.048 1.00 1.00 C ATOM 1415 CG GLN A 89 69.489 20.910 17.427 1.00 1.00 C ATOM 1416 CD GLN A 89 70.239 19.586 17.507 1.00 1.00 C ATOM 1417 OE1 GLN A 89 69.844 18.585 16.909 1.00 1.00 O ATOM 1418 NE2 GLN A 89 71.351 19.552 18.287 1.00 1.00 N ATOM 0 H GLN A 89 71.038 23.276 17.104 1.00 1.00 H new ATOM 0 HA GLN A 89 71.690 20.931 15.615 1.00 1.00 H new ATOM 0 HB2 GLN A 89 69.072 22.508 16.046 1.00 1.00 H new ATOM 0 HB3 GLN A 89 69.159 20.924 15.300 1.00 1.00 H new ATOM 0 HG2 GLN A 89 69.870 21.589 18.190 1.00 1.00 H new ATOM 0 HG3 GLN A 89 68.435 20.743 17.647 1.00 1.00 H new ATOM 0 HE21 GLN A 89 71.659 20.394 18.773 1.00 1.00 H new ATOM 0 HE22 GLN A 89 71.878 18.684 18.387 1.00 1.00 H new ATOM 1481 N VAL B 966 72.103 32.317 39.040 1.00 1.00 N ATOM 1482 CA VAL B 966 71.355 32.694 37.875 1.00 1.00 C ATOM 1483 C VAL B 966 69.891 32.473 38.113 1.00 1.00 C ATOM 1484 O VAL B 966 69.239 33.210 38.852 1.00 1.00 O ATOM 1485 CB VAL B 966 71.751 31.895 36.662 1.00 1.00 C ATOM 1486 CG1 VAL B 966 71.061 32.385 35.378 1.00 1.00 C ATOM 1487 CG2 VAL B 966 73.224 31.759 36.259 1.00 1.00 C ATOM 0 HA VAL B 966 71.570 33.747 37.690 1.00 1.00 H new ATOM 0 HB VAL B 966 71.432 30.922 37.036 1.00 1.00 H new ATOM 0 HG11 VAL B 966 71.383 31.773 34.536 1.00 1.00 H new ATOM 0 HG12 VAL B 966 69.980 32.304 35.492 1.00 1.00 H new ATOM 0 HG13 VAL B 966 71.330 33.425 35.195 1.00 1.00 H new ATOM 0 HG21 VAL B 966 73.300 31.146 35.361 1.00 1.00 H new ATOM 0 HG22 VAL B 966 73.640 32.747 36.061 1.00 1.00 H new ATOM 0 HG23 VAL B 966 73.781 31.287 37.069 1.00 1.00 H new ATOM 1497 N ILE B 967 69.304 31.447 37.467 1.00 1.00 N ATOM 1498 CA ILE B 967 67.899 31.418 37.175 1.00 1.00 C ATOM 1499 C ILE B 967 67.126 30.758 38.276 1.00 1.00 C ATOM 1500 O ILE B 967 67.484 29.677 38.742 1.00 1.00 O ATOM 1501 CB ILE B 967 67.701 30.826 35.802 1.00 1.00 C ATOM 1502 CG1 ILE B 967 67.560 31.919 34.724 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.499 29.870 35.730 1.00 1.00 C ATOM 1504 CD1 ILE B 967 67.970 31.462 33.322 1.00 1.00 C ATOM 0 H ILE B 967 69.811 30.624 37.142 1.00 1.00 H new ATOM 0 HA ILE B 967 67.487 32.427 37.140 1.00 1.00 H new ATOM 0 HB ILE B 967 68.601 30.244 35.603 1.00 1.00 H new ATOM 0 HG12 ILE B 967 66.524 32.258 34.697 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.169 32.777 35.009 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.408 29.476 34.718 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.647 29.046 36.428 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.589 30.409 35.993 1.00 1.00 H new ATOM 0 HD11 ILE B 967 67.843 32.285 32.619 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.015 31.151 33.332 1.00 1.00 H new ATOM 0 HD13 ILE B 967 67.345 30.624 33.015 1.00 1.00 H new ATOM 1516 N ASP B 968 66.038 31.381 38.769 1.00 1.00 N ATOM 1517 CA ASP B 968 65.232 30.871 39.841 1.00 1.00 C ATOM 1518 C ASP B 968 63.964 30.252 39.334 1.00 1.00 C ATOM 1519 O ASP B 968 63.171 30.924 38.675 1.00 1.00 O ATOM 1520 CB ASP B 968 64.842 32.004 40.811 1.00 1.00 C ATOM 1521 CG ASP B 968 66.062 32.620 41.473 1.00 1.00 C ATOM 1522 OD1 ASP B 968 66.730 31.922 42.282 1.00 1.00 O ATOM 1523 OD2 ASP B 968 66.338 33.826 41.234 1.00 1.00 O ATOM 0 H ASP B 968 65.706 32.275 38.408 1.00 1.00 H new ATOM 0 HA ASP B 968 65.831 30.115 40.350 1.00 1.00 H new ATOM 0 HB2 ASP B 968 64.294 32.775 40.269 1.00 1.00 H new ATOM 0 HB3 ASP B 968 64.171 31.614 41.576 1.00 1.00 H new ATOM 1528 N LEU B 969 63.701 28.961 39.621 1.00 1.00 N ATOM 1529 CA LEU B 969 62.488 28.299 39.234 1.00 1.00 C ATOM 1530 C LEU B 969 61.578 28.038 40.392 1.00 1.00 C ATOM 1531 O LEU B 969 62.006 27.651 41.479 1.00 1.00 O ATOM 1532 CB LEU B 969 62.709 26.945 38.524 1.00 1.00 C ATOM 1533 CG LEU B 969 63.453 26.985 37.177 1.00 1.00 C ATOM 1534 CD1 LEU B 969 62.922 28.157 36.345 1.00 1.00 C ATOM 1535 CD2 LEU B 969 64.986 27.081 37.203 1.00 1.00 C ATOM 0 H LEU B 969 64.347 28.362 40.135 1.00 1.00 H new ATOM 0 HA LEU B 969 62.034 29.003 38.536 1.00 1.00 H new ATOM 0 HB2 LEU B 969 63.263 26.293 39.199 1.00 1.00 H new ATOM 0 HB3 LEU B 969 61.735 26.483 38.362 1.00 1.00 H new ATOM 0 HG LEU B 969 63.247 26.004 36.750 1.00 1.00 H new ATOM 0 HD11 LEU B 969 63.445 28.191 35.389 1.00 1.00 H new ATOM 0 HD12 LEU B 969 61.854 28.025 36.170 1.00 1.00 H new ATOM 0 HD13 LEU B 969 63.088 29.090 36.883 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.367 27.100 36.182 1.00 1.00 H new ATOM 0 HD22 LEU B 969 65.285 27.994 37.719 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.396 26.218 37.727 1.00 1.00 H new