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= 0.252 USER MOD Set 1.2: A 75 GLN : amide:sc= 0 X(o=0.25,f=0.46) USER MOD Set 2.1: A 48 CYS SG : rot 71:sc= 0.316 USER MOD Set 2.2: A 55 MET CE :methyl 164:sc= -0.0201 (180deg=-0.342) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.545 X(o=0.99,f=0.81) USER MOD Set 3.2: A 31 GLN : amide:sc= 0.445 X(o=0.99,f=0.81) USER MOD Single : A 17 HIS :FLIP no HE2:sc= 0.0813 F(o=-0.79,f=0.081) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -151:sc= 1.22 (180deg=1.19) USER MOD Single : A 35 LYS NZ :NH3+ 173:sc= 0.594 (180deg=0.575) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 179:sc=-0.00589 (180deg=-0.00659) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0.786 K(o=0.79,f=-5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.167 X(o=-0.17,f=-0.17) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.0805 X(o=0.08,f=0) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 65.008 21.975 46.517 1.00 1.00 N ATOM 245 CA HIS A 17 65.549 22.434 45.275 1.00 1.00 C ATOM 246 C HIS A 17 66.923 21.906 45.002 1.00 1.00 C ATOM 247 O HIS A 17 67.641 21.445 45.888 1.00 1.00 O ATOM 248 CB HIS A 17 65.605 23.970 45.320 1.00 1.00 C ATOM 249 CG HIS A 17 66.365 24.584 46.461 1.00 1.00 C ATOM 250 ND1 HIS A 17 67.343 24.109 47.277 1.00 1.00 N flip ATOM 251 CD2 HIS A 17 66.221 25.912 46.755 1.00 1.00 C flip ATOM 252 CE1 HIS A 17 67.767 25.166 48.038 1.00 1.00 C flip ATOM 253 NE2 HIS A 17 67.071 26.240 47.711 1.00 1.00 N flip ATOM 0 HA HIS A 17 64.905 22.070 44.475 1.00 1.00 H new ATOM 0 HB2 HIS A 17 66.047 24.322 44.388 1.00 1.00 H new ATOM 0 HB3 HIS A 17 64.583 24.347 45.350 1.00 1.00 H new ATOM 0 HD1 HIS A 17 67.693 23.152 47.315 1.00 1.00 H new ATOM 0 HD2 HIS A 17 65.523 26.586 46.281 1.00 1.00 H new ATOM 0 HE1 HIS A 17 68.546 25.127 48.786 1.00 1.00 H new ATOM 262 N ILE A 18 67.357 22.002 43.734 1.00 1.00 N ATOM 263 CA ILE A 18 68.648 21.674 43.205 1.00 1.00 C ATOM 264 C ILE A 18 69.018 22.788 42.276 1.00 1.00 C ATOM 265 O ILE A 18 68.171 23.571 41.850 1.00 1.00 O ATOM 266 CB ILE A 18 68.708 20.353 42.482 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.725 20.229 41.302 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.501 19.221 43.505 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.034 19.014 40.425 1.00 1.00 C ATOM 0 H ILE A 18 66.737 22.346 43.001 1.00 1.00 H new ATOM 0 HA ILE A 18 69.345 21.564 44.036 1.00 1.00 H new ATOM 0 HB ILE A 18 69.694 20.279 42.023 1.00 1.00 H new ATOM 0 HG12 ILE A 18 66.707 20.151 41.684 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.769 21.134 40.696 1.00 1.00 H new ATOM 0 HG21 ILE A 18 68.542 18.258 42.996 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.285 19.265 44.261 1.00 1.00 H new ATOM 0 HG23 ILE A 18 67.529 19.337 43.984 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.317 18.965 39.606 1.00 1.00 H new ATOM 0 HD12 ILE A 18 69.042 19.104 40.020 1.00 1.00 H new ATOM 0 HD13 ILE A 18 67.963 18.106 41.024 1.00 1.00 H new ATOM 281 N ASN A 19 70.309 22.958 41.941 1.00 1.00 N ATOM 282 CA ASN A 19 70.704 23.855 40.894 1.00 1.00 C ATOM 283 C ASN A 19 71.364 23.021 39.844 1.00 1.00 C ATOM 284 O ASN A 19 72.036 22.033 40.131 1.00 1.00 O ATOM 285 CB ASN A 19 71.681 24.973 41.314 1.00 1.00 C ATOM 286 CG ASN A 19 71.095 25.974 42.301 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.861 27.137 41.973 1.00 1.00 O ATOM 288 ND2 ASN A 19 70.906 25.540 43.574 1.00 1.00 N ATOM 0 H ASN A 19 71.083 22.474 42.395 1.00 1.00 H new ATOM 0 HA ASN A 19 69.805 24.371 40.557 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.567 24.519 41.757 1.00 1.00 H new ATOM 0 HB3 ASN A 19 72.009 25.508 40.423 1.00 1.00 H new ATOM 0 HD21 ASN A 19 70.562 26.184 44.286 1.00 1.00 H new ATOM 0 HD22 ASN A 19 71.108 24.570 43.818 1.00 1.00 H new ATOM 295 N LEU A 20 71.186 23.372 38.560 1.00 1.00 N ATOM 296 CA LEU A 20 71.877 22.707 37.494 1.00 1.00 C ATOM 297 C LEU A 20 72.400 23.768 36.578 1.00 1.00 C ATOM 298 O LEU A 20 71.870 24.875 36.534 1.00 1.00 O ATOM 299 CB LEU A 20 71.016 21.661 36.754 1.00 1.00 C ATOM 300 CG LEU A 20 69.976 22.173 35.743 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.319 21.024 34.959 1.00 1.00 C ATOM 302 CD2 LEU A 20 68.862 23.013 36.386 1.00 1.00 C ATOM 0 H LEU A 20 70.562 24.119 38.256 1.00 1.00 H new ATOM 0 HA LEU A 20 72.696 22.119 37.907 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.690 20.985 36.228 1.00 1.00 H new ATOM 0 HB3 LEU A 20 70.491 21.069 37.504 1.00 1.00 H new ATOM 0 HG LEU A 20 70.545 22.810 35.066 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.592 21.432 34.257 1.00 1.00 H new ATOM 0 HD12 LEU A 20 70.084 20.474 34.411 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.815 20.351 35.653 1.00 1.00 H new ATOM 0 HD21 LEU A 20 68.164 23.341 35.616 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.332 22.411 37.124 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.299 23.884 36.875 1.00 1.00 H new ATOM 314 N LYS A 21 73.477 23.500 35.821 1.00 1.00 N ATOM 315 CA LYS A 21 74.047 24.363 34.829 1.00 1.00 C ATOM 316 C LYS A 21 74.040 23.720 33.479 1.00 1.00 C ATOM 317 O LYS A 21 74.136 22.504 33.325 1.00 1.00 O ATOM 318 CB LYS A 21 75.469 24.800 35.230 1.00 1.00 C ATOM 319 CG LYS A 21 76.564 23.760 34.977 1.00 1.00 C ATOM 320 CD LYS A 21 77.870 24.038 35.728 1.00 1.00 C ATOM 321 CE LYS A 21 77.806 23.607 37.196 1.00 1.00 C ATOM 322 NZ LYS A 21 79.133 23.760 37.830 1.00 1.00 N ATOM 0 H LYS A 21 73.986 22.620 35.907 1.00 1.00 H new ATOM 0 HA LYS A 21 73.426 25.257 34.770 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.720 25.709 34.684 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.469 25.054 36.290 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.192 22.777 35.267 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.773 23.719 33.908 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.688 23.513 35.234 1.00 1.00 H new ATOM 0 HD3 LYS A 21 78.096 25.103 35.675 1.00 1.00 H new ATOM 0 HE2 LYS A 21 77.069 24.209 37.728 1.00 1.00 H new ATOM 0 HE3 LYS A 21 77.479 22.569 37.264 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 79.078 23.465 38.826 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 79.827 23.167 37.331 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 79.429 24.756 37.780 1.00 1.00 H new ATOM 336 N VAL A 22 73.903 24.552 32.431 1.00 1.00 N ATOM 337 CA VAL A 22 73.868 24.135 31.060 1.00 1.00 C ATOM 338 C VAL A 22 75.007 24.797 30.352 1.00 1.00 C ATOM 339 O VAL A 22 75.143 26.020 30.359 1.00 1.00 O ATOM 340 CB VAL A 22 72.537 24.453 30.428 1.00 1.00 C ATOM 341 CG1 VAL A 22 72.579 24.423 28.892 1.00 1.00 C ATOM 342 CG2 VAL A 22 71.511 23.394 30.871 1.00 1.00 C ATOM 0 H VAL A 22 73.812 25.562 32.543 1.00 1.00 H new ATOM 0 HA VAL A 22 73.979 23.053 30.987 1.00 1.00 H new ATOM 0 HB VAL A 22 72.270 25.460 30.749 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.591 24.660 28.496 1.00 1.00 H new ATOM 0 HG12 VAL A 22 73.299 25.158 28.533 1.00 1.00 H new ATOM 0 HG13 VAL A 22 72.876 23.430 28.555 1.00 1.00 H new ATOM 0 HG21 VAL A 22 70.543 23.614 30.420 1.00 1.00 H new ATOM 0 HG22 VAL A 22 71.845 22.407 30.551 1.00 1.00 H new ATOM 0 HG23 VAL A 22 71.417 23.410 31.957 1.00 1.00 H new ATOM 352 N ALA A 23 75.887 23.990 29.731 1.00 1.00 N ATOM 353 CA ALA A 23 77.113 24.430 29.131 1.00 1.00 C ATOM 354 C ALA A 23 77.154 24.134 27.664 1.00 1.00 C ATOM 355 O ALA A 23 76.880 23.022 27.214 1.00 1.00 O ATOM 356 CB ALA A 23 78.307 23.756 29.828 1.00 1.00 C ATOM 0 H ALA A 23 75.738 22.985 29.642 1.00 1.00 H new ATOM 0 HA ALA A 23 77.172 25.511 29.255 1.00 1.00 H new ATOM 0 HB1 ALA A 23 79.235 24.094 29.368 1.00 1.00 H new ATOM 0 HB2 ALA A 23 78.308 24.021 30.885 1.00 1.00 H new ATOM 0 HB3 ALA A 23 78.225 22.674 29.726 1.00 1.00 H new ATOM 362 N GLY A 24 77.497 25.151 26.853 1.00 1.00 N ATOM 363 CA GLY A 24 77.540 25.059 25.420 1.00 1.00 C ATOM 364 C GLY A 24 78.897 24.806 24.850 1.00 1.00 C ATOM 365 O GLY A 24 79.880 24.573 25.551 1.00 1.00 O ATOM 0 H GLY A 24 77.755 26.073 27.205 1.00 1.00 H new ATOM 0 HA2 GLY A 24 76.872 24.259 25.101 1.00 1.00 H new ATOM 0 HA3 GLY A 24 77.151 25.986 24.998 1.00 1.00 H new ATOM 416 N VAL A 29 78.344 29.171 30.039 1.00 1.00 N ATOM 417 CA VAL A 29 77.546 28.459 30.997 1.00 1.00 C ATOM 418 C VAL A 29 76.517 29.317 31.671 1.00 1.00 C ATOM 419 O VAL A 29 76.764 30.470 32.022 1.00 1.00 O ATOM 420 CB VAL A 29 78.425 27.739 31.986 1.00 1.00 C ATOM 421 CG1 VAL A 29 79.129 28.710 32.949 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.637 26.667 32.760 1.00 1.00 C ATOM 0 HA VAL A 29 76.974 27.714 30.443 1.00 1.00 H new ATOM 0 HB VAL A 29 79.202 27.236 31.410 1.00 1.00 H new ATOM 0 HG11 VAL A 29 79.752 28.146 33.644 1.00 1.00 H new ATOM 0 HG12 VAL A 29 79.753 29.399 32.379 1.00 1.00 H new ATOM 0 HG13 VAL A 29 78.382 29.274 33.507 1.00 1.00 H new ATOM 0 HG21 VAL A 29 78.300 26.166 33.465 1.00 1.00 H new ATOM 0 HG22 VAL A 29 76.819 27.139 33.304 1.00 1.00 H new ATOM 0 HG23 VAL A 29 77.233 25.936 32.060 1.00 1.00 H new ATOM 432 N VAL A 30 75.280 28.813 31.846 1.00 1.00 N ATOM 433 CA VAL A 30 74.272 29.426 32.667 1.00 1.00 C ATOM 434 C VAL A 30 73.698 28.420 33.618 1.00 1.00 C ATOM 435 O VAL A 30 73.516 27.260 33.250 1.00 1.00 O ATOM 436 CB VAL A 30 73.254 30.205 31.872 1.00 1.00 C ATOM 437 CG1 VAL A 30 72.012 29.398 31.466 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.752 31.416 32.674 1.00 1.00 C ATOM 0 H VAL A 30 74.968 27.949 31.402 1.00 1.00 H new ATOM 0 HA VAL A 30 74.743 30.194 33.280 1.00 1.00 H new ATOM 0 HB VAL A 30 73.785 30.498 30.967 1.00 1.00 H new ATOM 0 HG11 VAL A 30 71.334 30.035 30.898 1.00 1.00 H new ATOM 0 HG12 VAL A 30 72.314 28.550 30.851 1.00 1.00 H new ATOM 0 HG13 VAL A 30 71.506 29.035 32.360 1.00 1.00 H new ATOM 0 HG21 VAL A 30 72.019 31.965 32.083 1.00 1.00 H new ATOM 0 HG22 VAL A 30 72.289 31.073 33.599 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.592 32.070 32.909 1.00 1.00 H new ATOM 448 N GLN A 31 73.448 28.779 34.894 1.00 1.00 N ATOM 449 CA GLN A 31 72.917 27.897 35.897 1.00 1.00 C ATOM 450 C GLN A 31 71.619 28.361 36.483 1.00 1.00 C ATOM 451 O GLN A 31 71.334 29.542 36.678 1.00 1.00 O ATOM 452 CB GLN A 31 73.944 27.612 37.008 1.00 1.00 C ATOM 453 CG GLN A 31 74.036 28.589 38.189 1.00 1.00 C ATOM 454 CD GLN A 31 73.307 28.099 39.434 1.00 1.00 C ATOM 455 OE1 GLN A 31 73.865 27.366 40.251 1.00 1.00 O ATOM 456 NE2 GLN A 31 72.032 28.522 39.635 1.00 1.00 N ATOM 0 H GLN A 31 73.622 29.722 35.242 1.00 1.00 H new ATOM 0 HA GLN A 31 72.703 26.965 35.373 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.729 26.623 37.412 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.929 27.560 36.544 1.00 1.00 H new ATOM 0 HG2 GLN A 31 75.085 28.756 38.433 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.622 29.551 37.889 1.00 1.00 H new ATOM 0 HE21 GLN A 31 71.582 29.129 38.950 1.00 1.00 H new ATOM 0 HE22 GLN A 31 71.525 28.233 40.471 1.00 1.00 H new ATOM 465 N PHE A 32 70.747 27.398 36.826 1.00 1.00 N ATOM 466 CA PHE A 32 69.369 27.640 37.131 1.00 1.00 C ATOM 467 C PHE A 32 68.989 26.860 38.352 1.00 1.00 C ATOM 468 O PHE A 32 69.432 25.731 38.552 1.00 1.00 O ATOM 469 CB PHE A 32 68.438 27.246 35.966 1.00 1.00 C ATOM 470 CG PHE A 32 69.025 27.189 34.595 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.858 26.141 34.243 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.615 28.066 33.608 1.00 1.00 C ATOM 473 CE1 PHE A 32 70.322 26.008 32.949 1.00 1.00 C ATOM 474 CE2 PHE A 32 69.047 27.922 32.303 1.00 1.00 C ATOM 475 CZ PHE A 32 69.905 26.890 31.970 1.00 1.00 C ATOM 0 H PHE A 32 71.009 26.415 36.894 1.00 1.00 H new ATOM 0 HA PHE A 32 69.250 28.710 37.304 1.00 1.00 H new ATOM 0 HB2 PHE A 32 68.016 26.266 36.191 1.00 1.00 H new ATOM 0 HB3 PHE A 32 67.609 27.953 35.946 1.00 1.00 H new ATOM 0 HD1 PHE A 32 70.149 25.418 34.990 1.00 1.00 H new ATOM 0 HD2 PHE A 32 67.947 28.876 33.861 1.00 1.00 H new ATOM 0 HE1 PHE A 32 71.011 25.214 32.702 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.715 28.615 31.544 1.00 1.00 H new ATOM 0 HZ PHE A 32 70.247 26.774 30.952 1.00 1.00 H new ATOM 485 N LYS A 33 68.155 27.451 39.225 1.00 1.00 N ATOM 486 CA LYS A 33 67.724 26.922 40.487 1.00 1.00 C ATOM 487 C LYS A 33 66.302 26.460 40.485 1.00 1.00 C ATOM 488 O LYS A 33 65.375 27.257 40.332 1.00 1.00 O ATOM 489 CB LYS A 33 67.701 28.095 41.478 1.00 1.00 C ATOM 490 CG LYS A 33 67.597 27.681 42.949 1.00 1.00 C ATOM 491 CD LYS A 33 67.782 28.869 43.896 1.00 1.00 C ATOM 492 CE LYS A 33 66.535 29.739 44.074 1.00 1.00 C ATOM 493 NZ LYS A 33 66.932 31.042 44.645 1.00 1.00 N ATOM 0 H LYS A 33 67.750 28.368 39.036 1.00 1.00 H new ATOM 0 HA LYS A 33 68.393 26.095 40.724 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.607 28.686 41.343 1.00 1.00 H new ATOM 0 HB3 LYS A 33 66.859 28.743 41.235 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.624 27.223 43.128 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.351 26.924 43.166 1.00 1.00 H new ATOM 0 HD2 LYS A 33 68.091 28.495 44.872 1.00 1.00 H new ATOM 0 HD3 LYS A 33 68.594 29.492 43.522 1.00 1.00 H new ATOM 0 HE2 LYS A 33 66.038 29.885 43.115 1.00 1.00 H new ATOM 0 HE3 LYS A 33 65.821 29.243 44.731 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 66.147 31.428 45.208 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 67.765 30.915 45.254 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 67.163 31.702 43.875 1.00 1.00 H new ATOM 507 N ILE A 34 66.089 25.150 40.683 1.00 1.00 N ATOM 508 CA ILE A 34 64.887 24.490 40.268 1.00 1.00 C ATOM 509 C ILE A 34 64.581 23.368 41.196 1.00 1.00 C ATOM 510 O ILE A 34 65.409 22.846 41.940 1.00 1.00 O ATOM 511 CB ILE A 34 64.943 24.044 38.831 1.00 1.00 C ATOM 512 CG1 ILE A 34 63.832 23.128 38.283 1.00 1.00 C ATOM 513 CG2 ILE A 34 66.340 23.482 38.516 1.00 1.00 C ATOM 514 CD1 ILE A 34 63.894 22.906 36.770 1.00 1.00 C ATOM 0 H ILE A 34 66.762 24.534 41.140 1.00 1.00 H new ATOM 0 HA ILE A 34 64.069 25.209 40.318 1.00 1.00 H new ATOM 0 HB ILE A 34 64.735 24.964 38.285 1.00 1.00 H new ATOM 0 HG12 ILE A 34 63.893 22.162 38.784 1.00 1.00 H new ATOM 0 HG13 ILE A 34 62.863 23.558 38.537 1.00 1.00 H new ATOM 0 HG21 ILE A 34 66.377 23.160 37.475 1.00 1.00 H new ATOM 0 HG22 ILE A 34 67.090 24.255 38.683 1.00 1.00 H new ATOM 0 HG23 ILE A 34 66.545 22.631 39.166 1.00 1.00 H new ATOM 0 HD11 ILE A 34 63.078 22.251 36.465 1.00 1.00 H new ATOM 0 HD12 ILE A 34 63.801 23.864 36.258 1.00 1.00 H new ATOM 0 HD13 ILE A 34 64.847 22.445 36.509 1.00 1.00 H new ATOM 526 N LYS A 35 63.280 23.053 41.236 1.00 1.00 N ATOM 527 CA LYS A 35 62.748 22.115 42.179 1.00 1.00 C ATOM 528 C LYS A 35 62.626 20.738 41.609 1.00 1.00 C ATOM 529 O LYS A 35 62.810 20.494 40.418 1.00 1.00 O ATOM 530 CB LYS A 35 61.515 22.615 42.955 1.00 1.00 C ATOM 531 CG LYS A 35 61.835 23.792 43.886 1.00 1.00 C ATOM 532 CD LYS A 35 61.871 25.170 43.217 1.00 1.00 C ATOM 533 CE LYS A 35 60.464 25.627 42.836 1.00 1.00 C ATOM 534 NZ LYS A 35 60.471 27.024 42.356 1.00 1.00 N ATOM 0 H LYS A 35 62.583 23.452 40.607 1.00 1.00 H new ATOM 0 HA LYS A 35 63.498 22.029 42.965 1.00 1.00 H new ATOM 0 HB2 LYS A 35 60.744 22.917 42.247 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.104 21.794 43.543 1.00 1.00 H new ATOM 0 HG2 LYS A 35 61.093 23.814 44.684 1.00 1.00 H new ATOM 0 HG3 LYS A 35 62.802 23.609 44.355 1.00 1.00 H new ATOM 0 HD2 LYS A 35 62.323 25.896 43.893 1.00 1.00 H new ATOM 0 HD3 LYS A 35 62.499 25.130 42.327 1.00 1.00 H new ATOM 0 HE2 LYS A 35 60.064 24.974 42.060 1.00 1.00 H new ATOM 0 HE3 LYS A 35 59.803 25.539 43.699 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 59.528 27.271 41.993 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 60.717 27.660 43.141 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 61.172 27.126 41.595 1.00 1.00 H new ATOM 548 N ARG A 36 62.422 19.752 42.501 1.00 1.00 N ATOM 549 CA ARG A 36 62.667 18.363 42.236 1.00 1.00 C ATOM 550 C ARG A 36 61.826 17.745 41.162 1.00 1.00 C ATOM 551 O ARG A 36 62.293 16.923 40.376 1.00 1.00 O ATOM 552 CB ARG A 36 62.472 17.541 43.524 1.00 1.00 C ATOM 553 CG ARG A 36 63.480 17.869 44.631 1.00 1.00 C ATOM 554 CD ARG A 36 63.314 16.994 45.877 1.00 1.00 C ATOM 555 NE ARG A 36 62.000 17.336 46.491 1.00 1.00 N ATOM 556 CZ ARG A 36 61.144 16.446 47.052 1.00 1.00 C ATOM 557 NH1 ARG A 36 61.421 15.130 47.210 1.00 1.00 N ATOM 558 NH2 ARG A 36 59.939 16.906 47.468 1.00 1.00 N ATOM 0 H ARG A 36 62.073 19.926 43.444 1.00 1.00 H new ATOM 0 HA ARG A 36 63.694 18.337 41.873 1.00 1.00 H new ATOM 0 HB2 ARG A 36 61.464 17.711 43.902 1.00 1.00 H new ATOM 0 HB3 ARG A 36 62.547 16.481 43.281 1.00 1.00 H new ATOM 0 HG2 ARG A 36 64.491 17.747 44.241 1.00 1.00 H new ATOM 0 HG3 ARG A 36 63.372 18.916 44.913 1.00 1.00 H new ATOM 0 HD2 ARG A 36 63.350 15.937 45.611 1.00 1.00 H new ATOM 0 HD3 ARG A 36 64.125 17.173 46.582 1.00 1.00 H new ATOM 0 HE ARG A 36 61.722 18.317 46.489 1.00 1.00 H new ATOM 0 HH11 ARG A 36 62.318 14.757 46.899 1.00 1.00 H new ATOM 0 HH12 ARG A 36 60.733 14.512 47.640 1.00 1.00 H new ATOM 0 HH21 ARG A 36 59.702 17.892 47.354 1.00 1.00 H new ATOM 0 HH22 ARG A 36 59.269 16.267 47.895 1.00 1.00 H new ATOM 572 N HIS A 37 60.538 18.118 41.075 1.00 1.00 N ATOM 573 CA HIS A 37 59.614 17.504 40.166 1.00 1.00 C ATOM 574 C HIS A 37 59.654 18.115 38.799 1.00 1.00 C ATOM 575 O HIS A 37 59.274 17.486 37.814 1.00 1.00 O ATOM 576 CB HIS A 37 58.188 17.592 40.740 1.00 1.00 C ATOM 577 CG HIS A 37 57.150 16.835 39.966 1.00 1.00 C ATOM 578 ND1 HIS A 37 56.371 17.421 39.006 1.00 1.00 N ATOM 579 CD2 HIS A 37 56.785 15.527 40.024 1.00 1.00 C ATOM 580 CE1 HIS A 37 55.556 16.514 38.498 1.00 1.00 C ATOM 581 NE2 HIS A 37 55.793 15.357 39.093 1.00 1.00 N ATOM 0 H HIS A 37 60.128 18.858 41.644 1.00 1.00 H new ATOM 0 HA HIS A 37 59.912 16.461 40.056 1.00 1.00 H new ATOM 0 HB2 HIS A 37 58.200 17.220 41.764 1.00 1.00 H new ATOM 0 HB3 HIS A 37 57.894 18.641 40.786 1.00 1.00 H new ATOM 0 HD2 HIS A 37 57.196 14.770 40.676 1.00 1.00 H new ATOM 0 HE1 HIS A 37 54.820 16.688 37.727 1.00 1.00 H new ATOM 0 HE2 HIS A 37 55.315 14.479 38.892 1.00 1.00 H new ATOM 590 N THR A 38 60.103 19.377 38.700 1.00 1.00 N ATOM 591 CA THR A 38 60.040 20.228 37.545 1.00 1.00 C ATOM 592 C THR A 38 60.737 19.698 36.326 1.00 1.00 C ATOM 593 O THR A 38 61.886 19.275 36.451 1.00 1.00 O ATOM 594 CB THR A 38 60.649 21.561 37.892 1.00 1.00 C ATOM 595 OG1 THR A 38 60.264 22.003 39.185 1.00 1.00 O ATOM 596 CG2 THR A 38 60.256 22.674 36.908 1.00 1.00 C ATOM 0 H THR A 38 60.547 19.843 39.491 1.00 1.00 H new ATOM 0 HA THR A 38 58.983 20.298 37.287 1.00 1.00 H new ATOM 0 HB THR A 38 61.724 21.387 37.846 1.00 1.00 H new ATOM 0 HG1 THR A 38 60.681 22.870 39.372 1.00 1.00 H new ATOM 0 HG21 THR A 38 60.725 23.610 37.211 1.00 1.00 H new ATOM 0 HG22 THR A 38 60.591 22.408 35.905 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.173 22.795 36.909 1.00 1.00 H new ATOM 604 N PRO A 39 60.196 19.669 35.134 1.00 1.00 N ATOM 605 CA PRO A 39 60.846 19.132 33.964 1.00 1.00 C ATOM 606 C PRO A 39 62.027 19.910 33.477 1.00 1.00 C ATOM 607 O PRO A 39 62.224 21.075 33.822 1.00 1.00 O ATOM 608 CB PRO A 39 59.746 19.107 32.901 1.00 1.00 C ATOM 609 CG PRO A 39 58.824 20.267 33.299 1.00 1.00 C ATOM 610 CD PRO A 39 58.857 20.162 34.829 1.00 1.00 C ATOM 0 HA PRO A 39 61.270 18.155 34.197 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.154 19.246 31.900 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.214 18.156 32.899 1.00 1.00 H new ATOM 0 HG2 PRO A 39 59.196 21.228 32.944 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.817 20.148 32.900 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.674 21.129 35.297 1.00 1.00 H new ATOM 0 HD3 PRO A 39 58.090 19.480 35.196 1.00 1.00 H new ATOM 618 N LEU A 40 62.871 19.270 32.646 1.00 1.00 N ATOM 619 CA LEU A 40 64.049 19.854 32.070 1.00 1.00 C ATOM 620 C LEU A 40 63.773 20.953 31.092 1.00 1.00 C ATOM 621 O LEU A 40 64.571 21.866 30.886 1.00 1.00 O ATOM 622 CB LEU A 40 65.131 18.837 31.671 1.00 1.00 C ATOM 623 CG LEU A 40 64.902 18.009 30.398 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.460 18.712 29.150 1.00 1.00 C ATOM 625 CD2 LEU A 40 65.602 16.657 30.607 1.00 1.00 C ATOM 0 H LEU A 40 62.727 18.301 32.361 1.00 1.00 H new ATOM 0 HA LEU A 40 64.531 20.388 32.889 1.00 1.00 H new ATOM 0 HB2 LEU A 40 66.071 19.377 31.555 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.262 18.144 32.502 1.00 1.00 H new ATOM 0 HG LEU A 40 63.833 17.880 30.229 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.277 18.093 28.272 1.00 1.00 H new ATOM 0 HD12 LEU A 40 64.966 19.676 29.024 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.532 18.867 29.268 1.00 1.00 H new ATOM 0 HD21 LEU A 40 65.464 16.035 29.723 1.00 1.00 H new ATOM 0 HD22 LEU A 40 66.667 16.820 30.773 1.00 1.00 H new ATOM 0 HD23 LEU A 40 65.173 16.155 31.474 1.00 1.00 H new ATOM 637 N SER A 41 62.585 20.934 30.462 1.00 1.00 N ATOM 638 CA SER A 41 62.076 22.008 29.654 1.00 1.00 C ATOM 639 C SER A 41 62.065 23.348 30.323 1.00 1.00 C ATOM 640 O SER A 41 62.171 24.375 29.656 1.00 1.00 O ATOM 641 CB SER A 41 60.654 21.723 29.128 1.00 1.00 C ATOM 642 OG SER A 41 59.688 21.685 30.171 1.00 1.00 O ATOM 0 H SER A 41 61.949 20.138 30.515 1.00 1.00 H new ATOM 0 HA SER A 41 62.786 22.054 28.829 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.376 22.491 28.406 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.650 20.771 28.598 1.00 1.00 H new ATOM 0 HG SER A 41 58.803 21.504 29.791 1.00 1.00 H new ATOM 648 N LYS A 42 61.929 23.420 31.663 1.00 1.00 N ATOM 649 CA LYS A 42 61.743 24.666 32.348 1.00 1.00 C ATOM 650 C LYS A 42 62.988 25.496 32.366 1.00 1.00 C ATOM 651 O LYS A 42 62.983 26.691 32.075 1.00 1.00 O ATOM 652 CB LYS A 42 61.222 24.420 33.776 1.00 1.00 C ATOM 653 CG LYS A 42 60.837 25.689 34.546 1.00 1.00 C ATOM 654 CD LYS A 42 59.659 26.464 33.946 1.00 1.00 C ATOM 655 CE LYS A 42 59.998 27.921 33.623 1.00 1.00 C ATOM 656 NZ LYS A 42 58.813 28.610 33.069 1.00 1.00 N ATOM 0 H LYS A 42 61.948 22.606 32.277 1.00 1.00 H new ATOM 0 HA LYS A 42 60.996 25.234 31.794 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.352 23.766 33.723 1.00 1.00 H new ATOM 0 HB3 LYS A 42 61.987 23.887 34.340 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.591 25.415 35.572 1.00 1.00 H new ATOM 0 HG3 LYS A 42 61.704 26.348 34.591 1.00 1.00 H new ATOM 0 HD2 LYS A 42 59.330 25.964 33.035 1.00 1.00 H new ATOM 0 HD3 LYS A 42 58.822 26.439 34.644 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.336 28.432 34.525 1.00 1.00 H new ATOM 0 HE3 LYS A 42 60.819 27.961 32.907 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 59.055 29.598 32.854 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 58.508 28.130 32.198 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 58.041 28.587 33.765 1.00 1.00 H new ATOM 670 N LEU A 43 64.143 24.862 32.638 1.00 1.00 N ATOM 671 CA LEU A 43 65.421 25.485 32.453 1.00 1.00 C ATOM 672 C LEU A 43 65.777 25.739 31.023 1.00 1.00 C ATOM 673 O LEU A 43 66.444 26.721 30.708 1.00 1.00 O ATOM 674 CB LEU A 43 66.585 24.925 33.288 1.00 1.00 C ATOM 675 CG LEU A 43 67.087 23.486 33.087 1.00 1.00 C ATOM 676 CD1 LEU A 43 66.143 22.436 33.691 1.00 1.00 C ATOM 677 CD2 LEU A 43 67.585 23.109 31.683 1.00 1.00 C ATOM 0 H LEU A 43 64.193 23.906 32.990 1.00 1.00 H new ATOM 0 HA LEU A 43 65.259 26.467 32.897 1.00 1.00 H new ATOM 0 HB2 LEU A 43 67.438 25.585 33.129 1.00 1.00 H new ATOM 0 HB3 LEU A 43 66.300 25.020 34.336 1.00 1.00 H new ATOM 0 HG LEU A 43 68.009 23.475 33.669 1.00 1.00 H new ATOM 0 HD11 LEU A 43 66.549 21.439 33.518 1.00 1.00 H new ATOM 0 HD12 LEU A 43 66.046 22.608 34.763 1.00 1.00 H new ATOM 0 HD13 LEU A 43 65.163 22.515 33.221 1.00 1.00 H new ATOM 0 HD21 LEU A 43 67.910 22.068 31.679 1.00 1.00 H new ATOM 0 HD22 LEU A 43 66.777 23.240 30.963 1.00 1.00 H new ATOM 0 HD23 LEU A 43 68.422 23.751 31.409 1.00 1.00 H new ATOM 689 N MET A 44 65.315 24.895 30.081 1.00 1.00 N ATOM 690 CA MET A 44 65.479 25.136 28.676 1.00 1.00 C ATOM 691 C MET A 44 64.815 26.388 28.191 1.00 1.00 C ATOM 692 O MET A 44 65.417 27.177 27.466 1.00 1.00 O ATOM 693 CB MET A 44 65.011 23.923 27.849 1.00 1.00 C ATOM 694 CG MET A 44 65.518 23.933 26.403 1.00 1.00 C ATOM 695 SD MET A 44 65.197 22.372 25.530 1.00 1.00 S ATOM 696 CE MET A 44 66.558 22.588 24.347 1.00 1.00 C ATOM 0 H MET A 44 64.819 24.030 30.297 1.00 1.00 H new ATOM 0 HA MET A 44 66.549 25.284 28.529 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.349 23.009 28.337 1.00 1.00 H new ATOM 0 HB3 MET A 44 63.921 23.897 27.843 1.00 1.00 H new ATOM 0 HG2 MET A 44 65.042 24.751 25.862 1.00 1.00 H new ATOM 0 HG3 MET A 44 66.590 24.131 26.401 1.00 1.00 H new ATOM 0 HE1 MET A 44 66.599 21.728 23.679 1.00 1.00 H new ATOM 0 HE2 MET A 44 66.392 23.493 23.763 1.00 1.00 H new ATOM 0 HE3 MET A 44 67.500 22.672 24.888 1.00 1.00 H new ATOM 706 N LYS A 45 63.573 26.673 28.625 1.00 1.00 N ATOM 707 CA LYS A 45 62.947 27.940 28.369 1.00 1.00 C ATOM 708 C LYS A 45 63.598 29.085 29.084 1.00 1.00 C ATOM 709 O LYS A 45 63.743 30.177 28.538 1.00 1.00 O ATOM 710 CB LYS A 45 61.425 27.915 28.603 1.00 1.00 C ATOM 711 CG LYS A 45 60.716 29.038 27.837 1.00 1.00 C ATOM 712 CD LYS A 45 59.187 28.952 27.842 1.00 1.00 C ATOM 713 CE LYS A 45 58.563 29.344 29.184 1.00 1.00 C ATOM 714 NZ LYS A 45 57.085 29.349 29.116 1.00 1.00 N ATOM 0 H LYS A 45 62.996 26.022 29.158 1.00 1.00 H new ATOM 0 HA LYS A 45 63.103 28.117 27.305 1.00 1.00 H new ATOM 0 HB2 LYS A 45 61.024 26.951 28.289 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.219 28.015 29.669 1.00 1.00 H new ATOM 0 HG2 LYS A 45 61.014 29.995 28.265 1.00 1.00 H new ATOM 0 HG3 LYS A 45 61.063 29.029 26.804 1.00 1.00 H new ATOM 0 HD2 LYS A 45 58.791 29.602 27.061 1.00 1.00 H new ATOM 0 HD3 LYS A 45 58.886 27.934 27.593 1.00 1.00 H new ATOM 0 HE2 LYS A 45 58.890 28.647 29.956 1.00 1.00 H new ATOM 0 HE3 LYS A 45 58.918 30.332 29.476 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 56.696 29.619 30.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 56.773 30.032 28.397 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 56.746 28.399 28.861 1.00 1.00 H new ATOM 728 N ALA A 46 64.089 28.895 30.323 1.00 1.00 N ATOM 729 CA ALA A 46 64.842 29.890 31.033 1.00 1.00 C ATOM 730 C ALA A 46 66.134 30.273 30.375 1.00 1.00 C ATOM 731 O ALA A 46 66.564 31.425 30.400 1.00 1.00 O ATOM 732 CB ALA A 46 65.100 29.426 32.478 1.00 1.00 C ATOM 0 H ALA A 46 63.961 28.029 30.846 1.00 1.00 H new ATOM 0 HA ALA A 46 64.227 30.790 31.027 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.672 30.188 33.008 1.00 1.00 H new ATOM 0 HB2 ALA A 46 64.148 29.269 32.985 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.663 28.493 32.465 1.00 1.00 H new ATOM 738 N TYR A 47 66.808 29.306 29.724 1.00 1.00 N ATOM 739 CA TYR A 47 67.954 29.490 28.880 1.00 1.00 C ATOM 740 C TYR A 47 67.643 30.352 27.695 1.00 1.00 C ATOM 741 O TYR A 47 68.381 31.278 27.365 1.00 1.00 O ATOM 742 CB TYR A 47 68.447 28.093 28.448 1.00 1.00 C ATOM 743 CG TYR A 47 69.815 27.980 27.858 1.00 1.00 C ATOM 744 CD1 TYR A 47 70.857 28.832 28.181 1.00 1.00 C ATOM 745 CD2 TYR A 47 70.067 26.910 27.017 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.129 28.614 27.682 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.333 26.689 26.507 1.00 1.00 C ATOM 748 CZ TYR A 47 72.366 27.541 26.844 1.00 1.00 C ATOM 749 OH TYR A 47 73.661 27.313 26.335 1.00 1.00 O ATOM 0 H TYR A 47 66.533 28.326 29.792 1.00 1.00 H new ATOM 0 HA TYR A 47 68.737 30.012 29.430 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.405 27.440 29.320 1.00 1.00 H new ATOM 0 HB3 TYR A 47 67.737 27.699 27.721 1.00 1.00 H new ATOM 0 HD1 TYR A 47 70.675 29.676 28.830 1.00 1.00 H new ATOM 0 HD2 TYR A 47 69.263 26.238 26.755 1.00 1.00 H new ATOM 0 HE1 TYR A 47 72.936 29.282 27.947 1.00 1.00 H new ATOM 0 HE2 TYR A 47 71.513 25.853 25.847 1.00 1.00 H new ATOM 0 HH TYR A 47 74.327 27.640 26.976 1.00 1.00 H new ATOM 759 N CYS A 48 66.485 30.135 27.047 1.00 1.00 N ATOM 760 CA CYS A 48 65.957 30.981 26.014 1.00 1.00 C ATOM 761 C CYS A 48 65.667 32.379 26.466 1.00 1.00 C ATOM 762 O CYS A 48 66.019 33.343 25.790 1.00 1.00 O ATOM 763 CB CYS A 48 64.677 30.380 25.402 1.00 1.00 C ATOM 764 SG CYS A 48 64.985 28.764 24.628 1.00 1.00 S ATOM 0 H CYS A 48 65.887 29.334 27.250 1.00 1.00 H new ATOM 0 HA CYS A 48 66.746 31.036 25.264 1.00 1.00 H new ATOM 0 HB2 CYS A 48 63.920 30.271 26.179 1.00 1.00 H new ATOM 0 HB3 CYS A 48 64.274 31.067 24.658 1.00 1.00 H new ATOM 0 HG CYS A 48 65.205 27.876 25.551 1.00 1.00 H new ATOM 770 N GLU A 49 65.052 32.560 27.649 1.00 1.00 N ATOM 771 CA GLU A 49 64.798 33.844 28.234 1.00 1.00 C ATOM 772 C GLU A 49 66.030 34.635 28.552 1.00 1.00 C ATOM 773 O GLU A 49 66.167 35.781 28.129 1.00 1.00 O ATOM 774 CB GLU A 49 63.992 33.665 29.536 1.00 1.00 C ATOM 775 CG GLU A 49 62.561 33.151 29.326 1.00 1.00 C ATOM 776 CD GLU A 49 61.611 34.214 28.800 1.00 1.00 C ATOM 777 OE1 GLU A 49 61.097 35.020 29.622 1.00 1.00 O ATOM 778 OE2 GLU A 49 61.306 34.203 27.578 1.00 1.00 O ATOM 0 H GLU A 49 64.718 31.784 28.221 1.00 1.00 H new ATOM 0 HA GLU A 49 64.245 34.405 27.481 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.524 32.970 30.186 1.00 1.00 H new ATOM 0 HB3 GLU A 49 63.950 34.621 30.058 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.582 32.315 28.627 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.178 32.767 30.272 1.00 1.00 H new ATOM 785 N ARG A 50 67.005 34.057 29.279 1.00 1.00 N ATOM 786 CA ARG A 50 68.177 34.788 29.671 1.00 1.00 C ATOM 787 C ARG A 50 69.210 34.954 28.601 1.00 1.00 C ATOM 788 O ARG A 50 69.783 36.025 28.406 1.00 1.00 O ATOM 789 CB ARG A 50 68.865 34.162 30.899 1.00 1.00 C ATOM 790 CG ARG A 50 69.075 35.193 32.012 1.00 1.00 C ATOM 791 CD ARG A 50 70.402 34.993 32.743 1.00 1.00 C ATOM 792 NE ARG A 50 71.500 35.673 31.998 1.00 1.00 N ATOM 793 CZ ARG A 50 72.130 36.785 32.455 1.00 1.00 C ATOM 794 NH1 ARG A 50 71.540 37.642 33.324 1.00 1.00 N ATOM 795 NH2 ARG A 50 73.408 37.017 32.070 1.00 1.00 N ATOM 0 H ARG A 50 66.984 33.088 29.595 1.00 1.00 H new ATOM 0 HA ARG A 50 67.783 35.777 29.906 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.260 33.337 31.275 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.827 33.743 30.604 1.00 1.00 H new ATOM 0 HG2 ARG A 50 69.045 36.196 31.586 1.00 1.00 H new ATOM 0 HG3 ARG A 50 68.255 35.125 32.727 1.00 1.00 H new ATOM 0 HD2 ARG A 50 70.334 35.394 33.754 1.00 1.00 H new ATOM 0 HD3 ARG A 50 70.619 33.929 32.836 1.00 1.00 H new ATOM 0 HE ARG A 50 71.792 35.284 31.102 1.00 1.00 H new ATOM 0 HH11 ARG A 50 70.593 37.460 33.655 1.00 1.00 H new ATOM 0 HH12 ARG A 50 72.044 38.468 33.647 1.00 1.00 H new ATOM 0 HH21 ARG A 50 73.880 36.361 31.447 1.00 1.00 H new ATOM 0 HH22 ARG A 50 73.898 37.847 32.403 1.00 1.00 H new ATOM 809 N GLN A 51 69.481 33.872 27.850 1.00 1.00 N ATOM 810 CA GLN A 51 70.621 33.769 26.986 1.00 1.00 C ATOM 811 C GLN A 51 70.222 33.829 25.543 1.00 1.00 C ATOM 812 O GLN A 51 71.054 33.755 24.639 1.00 1.00 O ATOM 813 CB GLN A 51 71.396 32.486 27.353 1.00 1.00 C ATOM 814 CG GLN A 51 72.098 32.501 28.719 1.00 1.00 C ATOM 815 CD GLN A 51 72.968 33.730 28.947 1.00 1.00 C ATOM 816 OE1 GLN A 51 72.745 34.477 29.900 1.00 1.00 O ATOM 817 NE2 GLN A 51 73.974 33.959 28.064 1.00 1.00 N ATOM 0 H GLN A 51 68.890 33.041 27.842 1.00 1.00 H new ATOM 0 HA GLN A 51 71.284 34.622 27.132 1.00 1.00 H new ATOM 0 HB2 GLN A 51 70.702 31.645 27.331 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.144 32.302 26.582 1.00 1.00 H new ATOM 0 HG2 GLN A 51 71.345 32.449 29.505 1.00 1.00 H new ATOM 0 HG3 GLN A 51 72.716 31.608 28.810 1.00 1.00 H new ATOM 0 HE21 GLN A 51 74.127 33.316 27.287 1.00 1.00 H new ATOM 0 HE22 GLN A 51 74.577 34.774 28.178 1.00 1.00 H new ATOM 826 N GLY A 52 68.923 34.052 25.271 1.00 1.00 N ATOM 827 CA GLY A 52 68.390 34.515 24.019 1.00 1.00 C ATOM 828 C GLY A 52 68.151 33.505 22.945 1.00 1.00 C ATOM 829 O GLY A 52 67.787 33.859 21.825 1.00 1.00 O ATOM 0 H GLY A 52 68.195 33.900 25.969 1.00 1.00 H new ATOM 0 HA2 GLY A 52 67.444 35.016 24.223 1.00 1.00 H new ATOM 0 HA3 GLY A 52 69.071 35.269 23.624 1.00 1.00 H new ATOM 833 N LEU A 53 68.352 32.212 23.246 1.00 1.00 N ATOM 834 CA LEU A 53 68.301 31.119 22.320 1.00 1.00 C ATOM 835 C LEU A 53 66.911 30.714 21.938 1.00 1.00 C ATOM 836 O LEU A 53 65.941 31.031 22.625 1.00 1.00 O ATOM 837 CB LEU A 53 69.049 29.905 22.901 1.00 1.00 C ATOM 838 CG LEU A 53 70.426 30.248 23.500 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.086 28.990 24.083 1.00 1.00 C ATOM 840 CD2 LEU A 53 71.382 30.894 22.485 1.00 1.00 C ATOM 0 H LEU A 53 68.564 31.908 24.196 1.00 1.00 H new ATOM 0 HA LEU A 53 68.784 31.471 21.408 1.00 1.00 H new ATOM 0 HB2 LEU A 53 68.432 29.446 23.673 1.00 1.00 H new ATOM 0 HB3 LEU A 53 69.181 29.162 22.115 1.00 1.00 H new ATOM 0 HG LEU A 53 70.240 30.979 24.287 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.058 29.250 24.502 1.00 1.00 H new ATOM 0 HD12 LEU A 53 70.452 28.576 24.867 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.217 28.249 23.294 1.00 1.00 H new ATOM 0 HD21 LEU A 53 72.334 31.111 22.969 1.00 1.00 H new ATOM 0 HD22 LEU A 53 71.546 30.209 21.653 1.00 1.00 H new ATOM 0 HD23 LEU A 53 70.945 31.820 22.112 1.00 1.00 H new ATOM 852 N SER A 54 66.744 29.992 20.816 1.00 1.00 N ATOM 853 CA SER A 54 65.512 29.346 20.462 1.00 1.00 C ATOM 854 C SER A 54 65.621 27.885 20.761 1.00 1.00 C ATOM 855 O SER A 54 66.593 27.232 20.384 1.00 1.00 O ATOM 856 CB SER A 54 65.176 29.491 18.966 1.00 1.00 C ATOM 857 OG SER A 54 64.736 30.808 18.661 1.00 1.00 O ATOM 0 H SER A 54 67.487 29.851 20.132 1.00 1.00 H new ATOM 0 HA SER A 54 64.723 29.825 21.042 1.00 1.00 H new ATOM 0 HB2 SER A 54 66.056 29.252 18.369 1.00 1.00 H new ATOM 0 HB3 SER A 54 64.401 28.774 18.694 1.00 1.00 H new ATOM 0 HG SER A 54 64.532 30.871 17.705 1.00 1.00 H new ATOM 863 N MET A 55 64.632 27.276 21.442 1.00 1.00 N ATOM 864 CA MET A 55 64.719 25.914 21.891 1.00 1.00 C ATOM 865 C MET A 55 64.751 24.861 20.825 1.00 1.00 C ATOM 866 O MET A 55 65.179 23.736 21.079 1.00 1.00 O ATOM 867 CB MET A 55 63.678 25.574 22.974 1.00 1.00 C ATOM 868 CG MET A 55 62.220 25.583 22.503 1.00 1.00 C ATOM 869 SD MET A 55 61.004 25.161 23.786 1.00 1.00 S ATOM 870 CE MET A 55 61.177 26.654 24.806 1.00 1.00 C ATOM 0 H MET A 55 63.755 27.735 21.687 1.00 1.00 H new ATOM 0 HA MET A 55 65.713 25.880 22.337 1.00 1.00 H new ATOM 0 HB2 MET A 55 63.906 24.588 23.378 1.00 1.00 H new ATOM 0 HB3 MET A 55 63.783 26.286 23.793 1.00 1.00 H new ATOM 0 HG2 MET A 55 61.985 26.573 22.111 1.00 1.00 H new ATOM 0 HG3 MET A 55 62.115 24.880 21.677 1.00 1.00 H new ATOM 0 HE1 MET A 55 60.327 26.732 25.484 1.00 1.00 H new ATOM 0 HE2 MET A 55 62.099 26.595 25.385 1.00 1.00 H new ATOM 0 HE3 MET A 55 61.209 27.533 24.162 1.00 1.00 H new ATOM 880 N ARG A 56 64.328 25.170 19.583 1.00 1.00 N ATOM 881 CA ARG A 56 64.447 24.286 18.458 1.00 1.00 C ATOM 882 C ARG A 56 65.767 24.366 17.755 1.00 1.00 C ATOM 883 O ARG A 56 66.072 23.554 16.882 1.00 1.00 O ATOM 884 CB ARG A 56 63.320 24.546 17.440 1.00 1.00 C ATOM 885 CG ARG A 56 63.412 25.878 16.683 1.00 1.00 C ATOM 886 CD ARG A 56 62.140 26.255 15.918 1.00 1.00 C ATOM 887 NE ARG A 56 62.070 25.423 14.681 1.00 1.00 N ATOM 888 CZ ARG A 56 62.557 25.819 13.478 1.00 1.00 C ATOM 889 NH1 ARG A 56 63.253 26.971 13.323 1.00 1.00 N ATOM 890 NH2 ARG A 56 62.372 25.067 12.364 1.00 1.00 N ATOM 0 H ARG A 56 63.890 26.062 19.353 1.00 1.00 H new ATOM 0 HA ARG A 56 64.367 23.281 18.873 1.00 1.00 H new ATOM 0 HB2 ARG A 56 63.315 23.734 16.713 1.00 1.00 H new ATOM 0 HB3 ARG A 56 62.365 24.510 17.964 1.00 1.00 H new ATOM 0 HG2 ARG A 56 63.644 26.671 17.394 1.00 1.00 H new ATOM 0 HG3 ARG A 56 64.243 25.827 15.980 1.00 1.00 H new ATOM 0 HD2 ARG A 56 61.260 26.086 16.539 1.00 1.00 H new ATOM 0 HD3 ARG A 56 62.151 27.315 15.662 1.00 1.00 H new ATOM 0 HE ARG A 56 61.631 24.504 14.743 1.00 1.00 H new ATOM 0 HH11 ARG A 56 63.427 27.574 14.127 1.00 1.00 H new ATOM 0 HH12 ARG A 56 63.603 27.235 12.402 1.00 1.00 H new ATOM 0 HH21 ARG A 56 61.859 24.187 12.422 1.00 1.00 H new ATOM 0 HH22 ARG A 56 62.746 25.381 11.469 1.00 1.00 H new ATOM 904 N GLN A 57 66.633 25.341 18.089 1.00 1.00 N ATOM 905 CA GLN A 57 67.966 25.430 17.561 1.00 1.00 C ATOM 906 C GLN A 57 68.929 24.541 18.286 1.00 1.00 C ATOM 907 O GLN A 57 69.864 23.992 17.703 1.00 1.00 O ATOM 908 CB GLN A 57 68.456 26.892 17.607 1.00 1.00 C ATOM 909 CG GLN A 57 67.796 27.808 16.568 1.00 1.00 C ATOM 910 CD GLN A 57 67.979 27.282 15.149 1.00 1.00 C ATOM 911 OE1 GLN A 57 69.083 27.009 14.677 1.00 1.00 O ATOM 912 NE2 GLN A 57 66.838 27.097 14.436 1.00 1.00 N ATOM 0 H GLN A 57 66.403 26.089 18.743 1.00 1.00 H new ATOM 0 HA GLN A 57 67.928 25.087 16.527 1.00 1.00 H new ATOM 0 HB2 GLN A 57 68.269 27.295 18.602 1.00 1.00 H new ATOM 0 HB3 GLN A 57 69.535 26.907 17.455 1.00 1.00 H new ATOM 0 HG2 GLN A 57 66.732 27.898 16.787 1.00 1.00 H new ATOM 0 HG3 GLN A 57 68.223 28.808 16.642 1.00 1.00 H new ATOM 0 HE21 GLN A 57 65.935 27.331 14.849 1.00 1.00 H new ATOM 0 HE22 GLN A 57 66.884 26.724 13.488 1.00 1.00 H new ATOM 921 N ILE A 58 68.709 24.358 19.599 1.00 1.00 N ATOM 922 CA ILE A 58 69.576 23.646 20.493 1.00 1.00 C ATOM 923 C ILE A 58 68.924 22.396 20.995 1.00 1.00 C ATOM 924 O ILE A 58 67.702 22.283 21.079 1.00 1.00 O ATOM 925 CB ILE A 58 69.976 24.496 21.672 1.00 1.00 C ATOM 926 CG1 ILE A 58 68.764 25.197 22.316 1.00 1.00 C ATOM 927 CG2 ILE A 58 71.028 25.517 21.194 1.00 1.00 C ATOM 928 CD1 ILE A 58 69.037 25.703 23.732 1.00 1.00 C ATOM 0 H ILE A 58 67.880 24.727 20.066 1.00 1.00 H new ATOM 0 HA ILE A 58 70.469 23.387 19.923 1.00 1.00 H new ATOM 0 HB ILE A 58 70.401 23.859 22.448 1.00 1.00 H new ATOM 0 HG12 ILE A 58 68.464 26.037 21.689 1.00 1.00 H new ATOM 0 HG13 ILE A 58 67.924 24.503 22.342 1.00 1.00 H new ATOM 0 HG21 ILE A 58 71.333 26.144 22.032 1.00 1.00 H new ATOM 0 HG22 ILE A 58 71.897 24.988 20.802 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.599 26.141 20.410 1.00 1.00 H new ATOM 0 HD11 ILE A 58 68.142 26.185 24.125 1.00 1.00 H new ATOM 0 HD12 ILE A 58 69.308 24.864 24.373 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.856 26.421 23.710 1.00 1.00 H new ATOM 940 N ARG A 59 69.730 21.379 21.350 1.00 1.00 N ATOM 941 CA ARG A 59 69.254 20.184 21.982 1.00 1.00 C ATOM 942 C ARG A 59 70.211 19.824 23.073 1.00 1.00 C ATOM 943 O ARG A 59 71.379 20.213 23.047 1.00 1.00 O ATOM 944 CB ARG A 59 69.156 19.015 20.984 1.00 1.00 C ATOM 945 CG ARG A 59 68.015 19.110 19.962 1.00 1.00 C ATOM 946 CD ARG A 59 66.602 18.822 20.481 1.00 1.00 C ATOM 947 NE ARG A 59 65.992 20.075 21.013 1.00 1.00 N ATOM 948 CZ ARG A 59 64.795 20.096 21.653 1.00 1.00 C ATOM 949 NH1 ARG A 59 64.041 18.979 21.798 1.00 1.00 N ATOM 950 NH2 ARG A 59 64.313 21.262 22.151 1.00 1.00 N ATOM 0 H ARG A 59 70.738 21.386 21.194 1.00 1.00 H new ATOM 0 HA ARG A 59 68.255 20.367 22.377 1.00 1.00 H new ATOM 0 HB2 ARG A 59 70.099 18.943 20.443 1.00 1.00 H new ATOM 0 HB3 ARG A 59 69.040 18.089 21.547 1.00 1.00 H new ATOM 0 HG2 ARG A 59 68.023 20.113 19.535 1.00 1.00 H new ATOM 0 HG3 ARG A 59 68.227 18.416 19.149 1.00 1.00 H new ATOM 0 HD2 ARG A 59 65.985 18.419 19.678 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.640 18.065 21.264 1.00 1.00 H new ATOM 0 HE ARG A 59 66.496 20.953 20.891 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.369 18.090 21.421 1.00 1.00 H new ATOM 0 HH12 ARG A 59 63.146 19.028 22.284 1.00 1.00 H new ATOM 0 HH21 ARG A 59 64.850 22.123 22.045 1.00 1.00 H new ATOM 0 HH22 ARG A 59 63.414 21.278 22.632 1.00 1.00 H new ATOM 964 N PHE A 60 69.748 19.091 24.101 1.00 1.00 N ATOM 965 CA PHE A 60 70.530 18.807 25.268 1.00 1.00 C ATOM 966 C PHE A 60 70.883 17.354 25.323 1.00 1.00 C ATOM 967 O PHE A 60 70.155 16.476 24.862 1.00 1.00 O ATOM 968 CB PHE A 60 69.791 19.160 26.573 1.00 1.00 C ATOM 969 CG PHE A 60 69.526 20.610 26.819 1.00 1.00 C ATOM 970 CD1 PHE A 60 70.204 21.649 26.206 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.592 20.912 27.795 1.00 1.00 C ATOM 972 CE1 PHE A 60 69.951 22.963 26.559 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.337 22.221 28.159 1.00 1.00 C ATOM 974 CZ PHE A 60 69.023 23.250 27.542 1.00 1.00 C ATOM 0 H PHE A 60 68.812 18.687 24.124 1.00 1.00 H new ATOM 0 HA PHE A 60 71.425 19.424 25.189 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.837 18.633 26.578 1.00 1.00 H new ATOM 0 HB3 PHE A 60 70.373 18.773 27.410 1.00 1.00 H new ATOM 0 HD1 PHE A 60 70.938 21.432 25.444 1.00 1.00 H new ATOM 0 HD2 PHE A 60 68.053 20.111 28.280 1.00 1.00 H new ATOM 0 HE1 PHE A 60 70.480 23.765 26.066 1.00 1.00 H new ATOM 0 HE2 PHE A 60 67.605 22.439 28.922 1.00 1.00 H new ATOM 0 HZ PHE A 60 68.835 24.275 27.827 1.00 1.00 H new ATOM 984 N ARG A 61 72.058 17.051 25.901 1.00 1.00 N ATOM 985 CA ARG A 61 72.545 15.715 26.077 1.00 1.00 C ATOM 986 C ARG A 61 72.981 15.527 27.493 1.00 1.00 C ATOM 987 O ARG A 61 73.289 16.476 28.216 1.00 1.00 O ATOM 988 CB ARG A 61 73.765 15.421 25.181 1.00 1.00 C ATOM 989 CG ARG A 61 73.507 15.620 23.683 1.00 1.00 C ATOM 990 CD ARG A 61 74.665 15.211 22.767 1.00 1.00 C ATOM 991 NE ARG A 61 75.851 16.030 23.150 1.00 1.00 N ATOM 992 CZ ARG A 61 76.923 16.266 22.352 1.00 1.00 C ATOM 993 NH1 ARG A 61 76.999 15.822 21.075 1.00 1.00 N ATOM 994 NH2 ARG A 61 77.945 16.990 22.873 1.00 1.00 N ATOM 0 H ARG A 61 72.695 17.762 26.260 1.00 1.00 H new ATOM 0 HA ARG A 61 71.731 15.041 25.810 1.00 1.00 H new ATOM 0 HB2 ARG A 61 74.589 16.066 25.485 1.00 1.00 H new ATOM 0 HB3 ARG A 61 74.086 14.393 25.350 1.00 1.00 H new ATOM 0 HG2 ARG A 61 72.622 15.048 23.403 1.00 1.00 H new ATOM 0 HG3 ARG A 61 73.277 16.671 23.506 1.00 1.00 H new ATOM 0 HD2 ARG A 61 74.882 14.148 22.875 1.00 1.00 H new ATOM 0 HD3 ARG A 61 74.405 15.379 21.722 1.00 1.00 H new ATOM 0 HE ARG A 61 75.857 16.444 24.082 1.00 1.00 H new ATOM 0 HH11 ARG A 61 76.229 15.285 20.675 1.00 1.00 H new ATOM 0 HH12 ARG A 61 77.826 16.024 20.513 1.00 1.00 H new ATOM 0 HH21 ARG A 61 77.889 17.335 23.831 1.00 1.00 H new ATOM 0 HH22 ARG A 61 78.769 17.190 22.306 1.00 1.00 H new ATOM 1008 N PHE A 62 73.047 14.252 27.915 1.00 1.00 N ATOM 1009 CA PHE A 62 73.763 13.855 29.090 1.00 1.00 C ATOM 1010 C PHE A 62 74.564 12.650 28.713 1.00 1.00 C ATOM 1011 O PHE A 62 74.015 11.689 28.180 1.00 1.00 O ATOM 1012 CB PHE A 62 72.816 13.500 30.251 1.00 1.00 C ATOM 1013 CG PHE A 62 73.552 13.107 31.491 1.00 1.00 C ATOM 1014 CD1 PHE A 62 74.469 13.966 32.071 1.00 1.00 C ATOM 1015 CD2 PHE A 62 73.365 11.852 32.045 1.00 1.00 C ATOM 1016 CE1 PHE A 62 75.205 13.569 33.174 1.00 1.00 C ATOM 1017 CE2 PHE A 62 74.075 11.459 33.165 1.00 1.00 C ATOM 1018 CZ PHE A 62 75.002 12.318 33.728 1.00 1.00 C ATOM 0 H PHE A 62 72.593 13.478 27.430 1.00 1.00 H new ATOM 0 HA PHE A 62 74.390 14.677 29.435 1.00 1.00 H new ATOM 0 HB2 PHE A 62 72.176 14.355 30.468 1.00 1.00 H new ATOM 0 HB3 PHE A 62 72.163 12.683 29.946 1.00 1.00 H new ATOM 0 HD1 PHE A 62 74.612 14.954 31.660 1.00 1.00 H new ATOM 0 HD2 PHE A 62 72.656 11.172 31.597 1.00 1.00 H new ATOM 0 HE1 PHE A 62 75.938 14.236 33.602 1.00 1.00 H new ATOM 0 HE2 PHE A 62 73.906 10.484 33.599 1.00 1.00 H new ATOM 0 HZ PHE A 62 75.565 12.013 34.597 1.00 1.00 H new ATOM 1028 N ASP A 63 75.889 12.673 28.942 1.00 1.00 N ATOM 1029 CA ASP A 63 76.817 11.601 28.727 1.00 1.00 C ATOM 1030 C ASP A 63 76.700 10.940 27.388 1.00 1.00 C ATOM 1031 O ASP A 63 76.683 9.718 27.243 1.00 1.00 O ATOM 1032 CB ASP A 63 76.797 10.625 29.921 1.00 1.00 C ATOM 1033 CG ASP A 63 78.206 10.200 30.291 1.00 1.00 C ATOM 1034 OD1 ASP A 63 78.906 9.555 29.465 1.00 1.00 O ATOM 1035 OD2 ASP A 63 78.655 10.555 31.413 1.00 1.00 O ATOM 0 H ASP A 63 76.349 13.507 29.307 1.00 1.00 H new ATOM 0 HA ASP A 63 77.813 12.042 28.686 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.319 11.100 30.777 1.00 1.00 H new ATOM 0 HB3 ASP A 63 76.201 9.747 29.670 1.00 1.00 H new ATOM 1040 N GLY A 64 76.576 11.749 26.320 1.00 1.00 N ATOM 1041 CA GLY A 64 76.470 11.245 24.981 1.00 1.00 C ATOM 1042 C GLY A 64 75.145 10.685 24.575 1.00 1.00 C ATOM 1043 O GLY A 64 75.055 10.136 23.478 1.00 1.00 O ATOM 0 H GLY A 64 76.549 12.767 26.384 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.723 12.052 24.293 1.00 1.00 H new ATOM 0 HA3 GLY A 64 77.222 10.467 24.850 1.00 1.00 H new ATOM 1047 N GLN A 65 74.071 10.782 25.382 1.00 1.00 N ATOM 1048 CA GLN A 65 72.761 10.343 24.989 1.00 1.00 C ATOM 1049 C GLN A 65 71.816 11.506 25.030 1.00 1.00 C ATOM 1050 O GLN A 65 72.026 12.415 25.833 1.00 1.00 O ATOM 1051 CB GLN A 65 72.243 9.151 25.820 1.00 1.00 C ATOM 1052 CG GLN A 65 71.987 9.422 27.309 1.00 1.00 C ATOM 1053 CD GLN A 65 71.353 8.226 28.009 1.00 1.00 C ATOM 1054 OE1 GLN A 65 70.143 8.160 28.227 1.00 1.00 O ATOM 1055 NE2 GLN A 65 72.195 7.234 28.396 1.00 1.00 N ATOM 0 H GLN A 65 74.110 11.172 26.324 1.00 1.00 H new ATOM 0 HA GLN A 65 72.827 9.968 23.968 1.00 1.00 H new ATOM 0 HB2 GLN A 65 71.314 8.799 25.371 1.00 1.00 H new ATOM 0 HB3 GLN A 65 72.964 8.338 25.739 1.00 1.00 H new ATOM 0 HG2 GLN A 65 72.928 9.671 27.799 1.00 1.00 H new ATOM 0 HG3 GLN A 65 71.335 10.289 27.412 1.00 1.00 H new ATOM 0 HE21 GLN A 65 73.194 7.310 28.205 1.00 1.00 H new ATOM 0 HE22 GLN A 65 71.829 6.413 28.878 1.00 1.00 H new ATOM 1064 N PRO A 66 70.802 11.602 24.209 1.00 1.00 N ATOM 1065 CA PRO A 66 69.864 12.694 24.259 1.00 1.00 C ATOM 1066 C PRO A 66 68.960 12.613 25.449 1.00 1.00 C ATOM 1067 O PRO A 66 68.670 11.521 25.936 1.00 1.00 O ATOM 1068 CB PRO A 66 69.075 12.564 22.954 1.00 1.00 C ATOM 1069 CG PRO A 66 69.084 11.059 22.659 1.00 1.00 C ATOM 1070 CD PRO A 66 70.477 10.648 23.154 1.00 1.00 C ATOM 0 HA PRO A 66 70.366 13.656 24.358 1.00 1.00 H new ATOM 0 HB2 PRO A 66 68.059 12.943 23.063 1.00 1.00 H new ATOM 0 HB3 PRO A 66 69.541 13.131 22.148 1.00 1.00 H new ATOM 0 HG2 PRO A 66 68.290 10.534 23.190 1.00 1.00 H new ATOM 0 HG3 PRO A 66 68.950 10.850 21.598 1.00 1.00 H new ATOM 0 HD2 PRO A 66 70.475 9.626 23.533 1.00 1.00 H new ATOM 0 HD3 PRO A 66 71.209 10.687 22.348 1.00 1.00 H new ATOM 1078 N ILE A 67 68.509 13.770 25.965 1.00 1.00 N ATOM 1079 CA ILE A 67 67.554 13.866 27.033 1.00 1.00 C ATOM 1080 C ILE A 67 66.380 14.629 26.508 1.00 1.00 C ATOM 1081 O ILE A 67 66.531 15.565 25.723 1.00 1.00 O ATOM 1082 CB ILE A 67 68.105 14.514 28.276 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.832 15.840 27.978 1.00 1.00 C ATOM 1084 CG2 ILE A 67 69.031 13.493 28.959 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.404 16.532 29.215 1.00 1.00 C ATOM 0 H ILE A 67 68.821 14.680 25.626 1.00 1.00 H new ATOM 0 HA ILE A 67 67.271 12.860 27.343 1.00 1.00 H new ATOM 0 HB ILE A 67 67.285 14.785 28.942 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.643 15.647 27.276 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.137 16.519 27.484 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.449 13.930 29.866 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.461 12.600 29.216 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.840 13.224 28.280 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.899 17.457 28.918 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.596 16.760 29.911 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.125 15.874 29.699 1.00 1.00 H new ATOM 1097 N ASN A 68 65.149 14.226 26.869 1.00 1.00 N ATOM 1098 CA ASN A 68 63.977 14.751 26.228 1.00 1.00 C ATOM 1099 C ASN A 68 63.309 15.775 27.090 1.00 1.00 C ATOM 1100 O ASN A 68 63.543 15.874 28.291 1.00 1.00 O ATOM 1101 CB ASN A 68 62.950 13.651 25.903 1.00 1.00 C ATOM 1102 CG ASN A 68 63.581 12.461 25.194 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.410 11.318 25.619 1.00 1.00 O ATOM 1104 ND2 ASN A 68 64.293 12.705 24.064 1.00 1.00 N ATOM 0 H ASN A 68 64.962 13.540 27.601 1.00 1.00 H new ATOM 0 HA ASN A 68 64.318 15.205 25.297 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.479 13.313 26.826 1.00 1.00 H new ATOM 0 HB3 ASN A 68 62.161 14.067 25.277 1.00 1.00 H new ATOM 0 HD21 ASN A 68 64.703 11.930 23.542 1.00 1.00 H new ATOM 0 HD22 ASN A 68 64.418 13.663 23.737 1.00 1.00 H new ATOM 1111 N GLU A 69 62.400 16.592 26.533 1.00 1.00 N ATOM 1112 CA GLU A 69 61.765 17.648 27.269 1.00 1.00 C ATOM 1113 C GLU A 69 60.717 17.175 28.229 1.00 1.00 C ATOM 1114 O GLU A 69 60.314 17.909 29.130 1.00 1.00 O ATOM 1115 CB GLU A 69 61.223 18.684 26.268 1.00 1.00 C ATOM 1116 CG GLU A 69 62.378 19.414 25.568 1.00 1.00 C ATOM 1117 CD GLU A 69 62.028 19.864 24.160 1.00 1.00 C ATOM 1118 OE1 GLU A 69 61.726 18.985 23.309 1.00 1.00 O ATOM 1119 OE2 GLU A 69 62.104 21.081 23.848 1.00 1.00 O ATOM 0 H GLU A 69 62.099 16.523 25.561 1.00 1.00 H new ATOM 0 HA GLU A 69 62.514 18.113 27.911 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.596 18.188 25.527 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.592 19.405 26.788 1.00 1.00 H new ATOM 0 HG2 GLU A 69 62.664 20.283 26.161 1.00 1.00 H new ATOM 0 HG3 GLU A 69 63.246 18.756 25.528 1.00 1.00 H new ATOM 1126 N THR A 70 60.278 15.907 28.109 1.00 1.00 N ATOM 1127 CA THR A 70 59.428 15.244 29.060 1.00 1.00 C ATOM 1128 C THR A 70 60.229 14.406 30.013 1.00 1.00 C ATOM 1129 O THR A 70 59.691 13.772 30.917 1.00 1.00 O ATOM 1130 CB THR A 70 58.349 14.394 28.431 1.00 1.00 C ATOM 1131 OG1 THR A 70 57.819 14.988 27.253 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.147 14.250 29.378 1.00 1.00 C ATOM 0 H THR A 70 60.525 15.316 27.315 1.00 1.00 H new ATOM 0 HA THR A 70 58.927 16.048 29.600 1.00 1.00 H new ATOM 0 HB THR A 70 58.824 13.438 28.211 1.00 1.00 H new ATOM 0 HG1 THR A 70 57.126 14.406 26.877 1.00 1.00 H new ATOM 0 HG21 THR A 70 56.382 13.634 28.904 1.00 1.00 H new ATOM 0 HG22 THR A 70 57.470 13.778 30.306 1.00 1.00 H new ATOM 0 HG23 THR A 70 56.735 15.235 29.596 1.00 1.00 H new ATOM 1140 N ASP A 71 61.573 14.386 29.908 1.00 1.00 N ATOM 1141 CA ASP A 71 62.450 13.777 30.863 1.00 1.00 C ATOM 1142 C ASP A 71 62.695 14.711 32.011 1.00 1.00 C ATOM 1143 O ASP A 71 62.260 15.861 32.029 1.00 1.00 O ATOM 1144 CB ASP A 71 63.773 13.339 30.208 1.00 1.00 C ATOM 1145 CG ASP A 71 63.640 12.215 29.196 1.00 1.00 C ATOM 1146 OD1 ASP A 71 62.552 11.624 28.964 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.693 11.882 28.590 1.00 1.00 O ATOM 0 H ASP A 71 62.068 14.812 29.125 1.00 1.00 H new ATOM 0 HA ASP A 71 61.967 12.879 31.248 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.221 14.202 29.715 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.463 13.025 30.991 1.00 1.00 H new ATOM 1152 N THR A 72 63.365 14.235 33.077 1.00 1.00 N ATOM 1153 CA THR A 72 63.185 14.794 34.391 1.00 1.00 C ATOM 1154 C THR A 72 64.433 14.725 35.216 1.00 1.00 C ATOM 1155 O THR A 72 65.316 13.924 34.912 1.00 1.00 O ATOM 1156 CB THR A 72 62.078 14.176 35.212 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.301 12.805 35.508 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.722 14.276 34.492 1.00 1.00 C ATOM 0 H THR A 72 64.032 13.464 33.034 1.00 1.00 H new ATOM 0 HA THR A 72 62.909 15.825 34.169 1.00 1.00 H new ATOM 0 HB THR A 72 62.068 14.745 36.142 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.555 12.460 36.041 1.00 1.00 H new ATOM 0 HG21 THR A 72 59.947 13.822 35.110 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.479 15.324 34.318 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.777 13.753 33.537 1.00 1.00 H new ATOM 1166 N PRO A 73 64.557 15.481 36.279 1.00 1.00 N ATOM 1167 CA PRO A 73 65.576 15.289 37.279 1.00 1.00 C ATOM 1168 C PRO A 73 65.622 13.936 37.912 1.00 1.00 C ATOM 1169 O PRO A 73 66.712 13.501 38.281 1.00 1.00 O ATOM 1170 CB PRO A 73 65.298 16.355 38.340 1.00 1.00 C ATOM 1171 CG PRO A 73 64.695 17.507 37.527 1.00 1.00 C ATOM 1172 CD PRO A 73 63.879 16.759 36.462 1.00 1.00 C ATOM 0 HA PRO A 73 66.551 15.374 36.799 1.00 1.00 H new ATOM 0 HB2 PRO A 73 64.607 15.995 39.102 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.210 16.659 38.855 1.00 1.00 H new ATOM 0 HG2 PRO A 73 64.068 18.154 38.141 1.00 1.00 H new ATOM 0 HG3 PRO A 73 65.464 18.138 37.082 1.00 1.00 H new ATOM 0 HD2 PRO A 73 62.849 16.614 36.787 1.00 1.00 H new ATOM 0 HD3 PRO A 73 63.843 17.321 35.529 1.00 1.00 H new ATOM 1180 N ALA A 74 64.478 13.251 38.100 1.00 1.00 N ATOM 1181 CA ALA A 74 64.449 11.922 38.637 1.00 1.00 C ATOM 1182 C ALA A 74 65.023 10.892 37.715 1.00 1.00 C ATOM 1183 O ALA A 74 65.853 10.067 38.093 1.00 1.00 O ATOM 1184 CB ALA A 74 62.984 11.529 38.896 1.00 1.00 C ATOM 0 H ALA A 74 63.556 13.626 37.875 1.00 1.00 H new ATOM 0 HA ALA A 74 65.054 11.940 39.544 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.945 10.519 39.305 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.541 12.226 39.607 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.427 11.563 37.960 1.00 1.00 H new ATOM 1190 N GLN A 75 64.623 10.959 36.433 1.00 1.00 N ATOM 1191 CA GLN A 75 64.987 10.039 35.395 1.00 1.00 C ATOM 1192 C GLN A 75 66.413 10.155 34.965 1.00 1.00 C ATOM 1193 O GLN A 75 67.083 9.168 34.663 1.00 1.00 O ATOM 1194 CB GLN A 75 64.066 10.269 34.185 1.00 1.00 C ATOM 1195 CG GLN A 75 62.686 9.640 34.415 1.00 1.00 C ATOM 1196 CD GLN A 75 61.706 10.031 33.317 1.00 1.00 C ATOM 1197 OE1 GLN A 75 61.883 9.693 32.146 1.00 1.00 O ATOM 1198 NE2 GLN A 75 60.630 10.766 33.696 1.00 1.00 N ATOM 0 H GLN A 75 64.007 11.701 36.099 1.00 1.00 H new ATOM 0 HA GLN A 75 64.869 9.034 35.801 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.956 11.338 34.005 1.00 1.00 H new ATOM 0 HB3 GLN A 75 64.520 9.841 33.292 1.00 1.00 H new ATOM 0 HG2 GLN A 75 62.781 8.555 34.450 1.00 1.00 H new ATOM 0 HG3 GLN A 75 62.297 9.958 35.382 1.00 1.00 H new ATOM 0 HE21 GLN A 75 60.512 11.030 34.674 1.00 1.00 H new ATOM 0 HE22 GLN A 75 59.940 11.054 33.003 1.00 1.00 H new ATOM 1207 N LEU A 76 66.932 11.392 34.894 1.00 1.00 N ATOM 1208 CA LEU A 76 68.278 11.637 34.463 1.00 1.00 C ATOM 1209 C LEU A 76 69.227 11.700 35.621 1.00 1.00 C ATOM 1210 O LEU A 76 70.447 11.657 35.468 1.00 1.00 O ATOM 1211 CB LEU A 76 68.233 12.956 33.668 1.00 1.00 C ATOM 1212 CG LEU A 76 69.380 13.246 32.684 1.00 1.00 C ATOM 1213 CD1 LEU A 76 70.586 13.961 33.314 1.00 1.00 C ATOM 1214 CD2 LEU A 76 69.802 11.986 31.911 1.00 1.00 C ATOM 0 H LEU A 76 66.414 12.236 35.138 1.00 1.00 H new ATOM 0 HA LEU A 76 68.652 10.824 33.840 1.00 1.00 H new ATOM 0 HB2 LEU A 76 67.299 12.976 33.107 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.192 13.776 34.384 1.00 1.00 H new ATOM 0 HG LEU A 76 68.969 13.957 31.968 1.00 1.00 H new ATOM 0 HD11 LEU A 76 71.349 14.127 32.553 1.00 1.00 H new ATOM 0 HD12 LEU A 76 70.267 14.919 33.724 1.00 1.00 H new ATOM 0 HD13 LEU A 76 70.999 13.344 34.112 1.00 1.00 H new ATOM 0 HD21 LEU A 76 70.614 12.234 31.227 1.00 1.00 H new ATOM 0 HD22 LEU A 76 70.139 11.224 32.614 1.00 1.00 H new ATOM 0 HD23 LEU A 76 68.953 11.606 31.343 1.00 1.00 H new ATOM 1226 N GLU A 77 68.677 11.701 36.848 1.00 1.00 N ATOM 1227 CA GLU A 77 69.372 11.710 38.103 1.00 1.00 C ATOM 1228 C GLU A 77 70.185 12.947 38.334 1.00 1.00 C ATOM 1229 O GLU A 77 71.327 12.890 38.788 1.00 1.00 O ATOM 1230 CB GLU A 77 70.233 10.452 38.328 1.00 1.00 C ATOM 1231 CG GLU A 77 69.471 9.129 38.174 1.00 1.00 C ATOM 1232 CD GLU A 77 70.440 7.964 38.262 1.00 1.00 C ATOM 1233 OE1 GLU A 77 71.256 7.769 37.321 1.00 1.00 O ATOM 1234 OE2 GLU A 77 70.423 7.214 39.273 1.00 1.00 O ATOM 0 H GLU A 77 67.665 11.695 36.974 1.00 1.00 H new ATOM 0 HA GLU A 77 68.574 11.706 38.846 1.00 1.00 H new ATOM 0 HB2 GLU A 77 71.064 10.464 37.622 1.00 1.00 H new ATOM 0 HB3 GLU A 77 70.664 10.495 39.328 1.00 1.00 H new ATOM 0 HG2 GLU A 77 68.713 9.043 38.952 1.00 1.00 H new ATOM 0 HG3 GLU A 77 68.949 9.108 37.217 1.00 1.00 H new ATOM 1241 N MET A 78 69.629 14.130 38.013 1.00 1.00 N ATOM 1242 CA MET A 78 70.204 15.424 38.235 1.00 1.00 C ATOM 1243 C MET A 78 70.414 15.697 39.691 1.00 1.00 C ATOM 1244 O MET A 78 69.667 15.220 40.546 1.00 1.00 O ATOM 1245 CB MET A 78 69.320 16.519 37.611 1.00 1.00 C ATOM 1246 CG MET A 78 69.203 16.414 36.087 1.00 1.00 C ATOM 1247 SD MET A 78 68.034 17.612 35.378 1.00 1.00 S ATOM 1248 CE MET A 78 68.176 17.022 33.667 1.00 1.00 C ATOM 0 H MET A 78 68.713 14.186 37.567 1.00 1.00 H new ATOM 0 HA MET A 78 71.181 15.435 37.752 1.00 1.00 H new ATOM 0 HB2 MET A 78 68.323 16.464 38.049 1.00 1.00 H new ATOM 0 HB3 MET A 78 69.728 17.496 37.870 1.00 1.00 H new ATOM 0 HG2 MET A 78 70.186 16.567 35.642 1.00 1.00 H new ATOM 0 HG3 MET A 78 68.886 15.405 35.821 1.00 1.00 H new ATOM 0 HE1 MET A 78 67.532 17.619 33.022 1.00 1.00 H new ATOM 0 HE2 MET A 78 69.210 17.115 33.335 1.00 1.00 H new ATOM 0 HE3 MET A 78 67.872 15.977 33.616 1.00 1.00 H new ATOM 1258 N GLU A 79 71.474 16.452 40.022 1.00 1.00 N ATOM 1259 CA GLU A 79 71.930 16.586 41.374 1.00 1.00 C ATOM 1260 C GLU A 79 71.874 18.029 41.758 1.00 1.00 C ATOM 1261 O GLU A 79 71.543 18.900 40.955 1.00 1.00 O ATOM 1262 CB GLU A 79 73.355 16.018 41.537 1.00 1.00 C ATOM 1263 CG GLU A 79 73.444 14.564 41.052 1.00 1.00 C ATOM 1264 CD GLU A 79 74.728 13.849 41.440 1.00 1.00 C ATOM 1265 OE1 GLU A 79 75.837 14.248 40.997 1.00 1.00 O ATOM 1266 OE2 GLU A 79 74.624 12.824 42.166 1.00 1.00 O ATOM 0 H GLU A 79 72.025 16.978 39.344 1.00 1.00 H new ATOM 0 HA GLU A 79 71.282 16.011 42.036 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.059 16.633 40.976 1.00 1.00 H new ATOM 0 HB3 GLU A 79 73.651 16.071 42.585 1.00 1.00 H new ATOM 0 HG2 GLU A 79 72.597 14.008 41.454 1.00 1.00 H new ATOM 0 HG3 GLU A 79 73.349 14.550 39.966 1.00 1.00 H new ATOM 1273 N ASP A 80 72.197 18.328 43.027 1.00 1.00 N ATOM 1274 CA ASP A 80 72.219 19.631 43.624 1.00 1.00 C ATOM 1275 C ASP A 80 73.063 20.646 42.914 1.00 1.00 C ATOM 1276 O ASP A 80 72.783 21.839 43.007 1.00 1.00 O ATOM 1277 CB ASP A 80 72.429 19.553 45.150 1.00 1.00 C ATOM 1278 CG ASP A 80 73.699 18.827 45.554 1.00 1.00 C ATOM 1279 OD1 ASP A 80 73.835 17.605 45.276 1.00 1.00 O ATOM 1280 OD2 ASP A 80 74.579 19.466 46.191 1.00 1.00 O ATOM 0 H ASP A 80 72.465 17.601 43.690 1.00 1.00 H new ATOM 0 HA ASP A 80 71.220 20.043 43.479 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.454 20.564 45.557 1.00 1.00 H new ATOM 0 HB3 ASP A 80 71.574 19.049 45.600 1.00 1.00 H new ATOM 1285 N GLU A 81 74.098 20.187 42.186 1.00 1.00 N ATOM 1286 CA GLU A 81 74.842 20.946 41.220 1.00 1.00 C ATOM 1287 C GLU A 81 75.031 20.141 39.967 1.00 1.00 C ATOM 1288 O GLU A 81 76.111 19.596 39.743 1.00 1.00 O ATOM 1289 CB GLU A 81 76.221 21.325 41.797 1.00 1.00 C ATOM 1290 CG GLU A 81 76.181 22.331 42.958 1.00 1.00 C ATOM 1291 CD GLU A 81 77.526 22.478 43.651 1.00 1.00 C ATOM 1292 OE1 GLU A 81 78.016 21.471 44.232 1.00 1.00 O ATOM 1293 OE2 GLU A 81 78.104 23.597 43.670 1.00 1.00 O ATOM 0 H GLU A 81 74.437 19.229 42.276 1.00 1.00 H new ATOM 0 HA GLU A 81 74.286 21.853 40.985 1.00 1.00 H new ATOM 0 HB2 GLU A 81 76.718 20.417 42.139 1.00 1.00 H new ATOM 0 HB3 GLU A 81 76.832 21.741 40.996 1.00 1.00 H new ATOM 0 HG2 GLU A 81 75.863 23.303 42.581 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.435 22.011 43.685 1.00 1.00 H new ATOM 1300 N ASP A 82 74.017 20.000 39.088 1.00 1.00 N ATOM 1301 CA ASP A 82 74.121 19.218 37.884 1.00 1.00 C ATOM 1302 C ASP A 82 74.761 19.927 36.725 1.00 1.00 C ATOM 1303 O ASP A 82 74.846 21.154 36.690 1.00 1.00 O ATOM 1304 CB ASP A 82 72.793 18.571 37.431 1.00 1.00 C ATOM 1305 CG ASP A 82 73.069 17.139 37.012 1.00 1.00 C ATOM 1306 OD1 ASP A 82 73.526 16.335 37.866 1.00 1.00 O ATOM 1307 OD2 ASP A 82 72.895 16.788 35.817 1.00 1.00 O ATOM 0 H ASP A 82 73.104 20.438 39.214 1.00 1.00 H new ATOM 0 HA ASP A 82 74.797 18.420 38.190 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.065 18.594 38.242 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.363 19.132 36.601 1.00 1.00 H new ATOM 1312 N THR A 83 75.246 19.172 35.718 1.00 1.00 N ATOM 1313 CA THR A 83 75.912 19.688 34.552 1.00 1.00 C ATOM 1314 C THR A 83 75.383 19.050 33.303 1.00 1.00 C ATOM 1315 O THR A 83 75.557 17.850 33.086 1.00 1.00 O ATOM 1316 CB THR A 83 77.404 19.474 34.555 1.00 1.00 C ATOM 1317 OG1 THR A 83 77.998 19.936 35.761 1.00 1.00 O ATOM 1318 CG2 THR A 83 78.082 20.258 33.418 1.00 1.00 C ATOM 0 H THR A 83 75.171 18.155 35.715 1.00 1.00 H new ATOM 0 HA THR A 83 75.711 20.759 34.576 1.00 1.00 H new ATOM 0 HB THR A 83 77.548 18.400 34.437 1.00 1.00 H new ATOM 0 HG1 THR A 83 78.965 19.780 35.730 1.00 1.00 H new ATOM 0 HG21 THR A 83 79.158 20.083 33.447 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.686 19.924 32.459 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.884 21.323 33.542 1.00 1.00 H new ATOM 1326 N ILE A 84 74.745 19.833 32.415 1.00 1.00 N ATOM 1327 CA ILE A 84 74.008 19.425 31.249 1.00 1.00 C ATOM 1328 C ILE A 84 74.596 20.021 30.004 1.00 1.00 C ATOM 1329 O ILE A 84 75.080 21.152 30.006 1.00 1.00 O ATOM 1330 CB ILE A 84 72.527 19.683 31.382 1.00 1.00 C ATOM 1331 CG1 ILE A 84 71.922 18.950 32.597 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.747 19.320 30.103 1.00 1.00 C ATOM 1333 CD1 ILE A 84 72.014 17.422 32.557 1.00 1.00 C ATOM 0 H ILE A 84 74.743 20.847 32.521 1.00 1.00 H new ATOM 0 HA ILE A 84 74.106 18.343 31.161 1.00 1.00 H new ATOM 0 HB ILE A 84 72.426 20.757 31.541 1.00 1.00 H new ATOM 0 HG12 ILE A 84 72.422 19.303 33.499 1.00 1.00 H new ATOM 0 HG13 ILE A 84 70.873 19.231 32.684 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.687 19.525 30.253 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.118 19.916 29.269 1.00 1.00 H new ATOM 0 HG23 ILE A 84 71.884 18.262 29.881 1.00 1.00 H new ATOM 0 HD11 ILE A 84 71.560 17.006 33.457 1.00 1.00 H new ATOM 0 HD12 ILE A 84 71.487 17.049 31.679 1.00 1.00 H new ATOM 0 HD13 ILE A 84 73.061 17.122 32.507 1.00 1.00 H new ATOM 1345 N ASP A 85 74.657 19.266 28.890 1.00 1.00 N ATOM 1346 CA ASP A 85 75.486 19.532 27.750 1.00 1.00 C ATOM 1347 C ASP A 85 74.636 19.929 26.583 1.00 1.00 C ATOM 1348 O ASP A 85 73.588 19.335 26.336 1.00 1.00 O ATOM 1349 CB ASP A 85 76.145 18.180 27.404 1.00 1.00 C ATOM 1350 CG ASP A 85 77.158 18.187 26.272 1.00 1.00 C ATOM 1351 OD1 ASP A 85 77.977 19.139 26.188 1.00 1.00 O ATOM 1352 OD2 ASP A 85 77.185 17.198 25.491 1.00 1.00 O ATOM 0 H ASP A 85 74.096 18.422 28.778 1.00 1.00 H new ATOM 0 HA ASP A 85 76.203 20.326 27.958 1.00 1.00 H new ATOM 0 HB2 ASP A 85 76.638 17.802 28.300 1.00 1.00 H new ATOM 0 HB3 ASP A 85 75.356 17.471 27.151 1.00 1.00 H new ATOM 1357 N VAL A 86 75.044 20.956 25.813 1.00 1.00 N ATOM 1358 CA VAL A 86 74.293 21.429 24.686 1.00 1.00 C ATOM 1359 C VAL A 86 74.995 21.055 23.423 1.00 1.00 C ATOM 1360 O VAL A 86 76.190 21.296 23.261 1.00 1.00 O ATOM 1361 CB VAL A 86 74.140 22.928 24.649 1.00 1.00 C ATOM 1362 CG1 VAL A 86 73.161 23.371 23.547 1.00 1.00 C ATOM 1363 CG2 VAL A 86 73.619 23.416 26.008 1.00 1.00 C ATOM 0 H VAL A 86 75.911 21.468 25.975 1.00 1.00 H new ATOM 0 HA VAL A 86 73.308 20.972 24.780 1.00 1.00 H new ATOM 0 HB VAL A 86 75.116 23.362 24.432 1.00 1.00 H new ATOM 0 HG11 VAL A 86 73.076 24.458 23.551 1.00 1.00 H new ATOM 0 HG12 VAL A 86 73.531 23.039 22.577 1.00 1.00 H new ATOM 0 HG13 VAL A 86 72.181 22.930 23.732 1.00 1.00 H new ATOM 0 HG21 VAL A 86 73.507 24.500 25.987 1.00 1.00 H new ATOM 0 HG22 VAL A 86 72.653 22.955 26.214 1.00 1.00 H new ATOM 0 HG23 VAL A 86 74.327 23.140 26.789 1.00 1.00 H new ATOM 1373 N PHE A 87 74.253 20.490 22.454 1.00 1.00 N ATOM 1374 CA PHE A 87 74.695 20.483 21.090 1.00 1.00 C ATOM 1375 C PHE A 87 73.703 21.191 20.221 1.00 1.00 C ATOM 1376 O PHE A 87 72.487 21.047 20.334 1.00 1.00 O ATOM 1377 CB PHE A 87 74.941 19.051 20.584 1.00 1.00 C ATOM 1378 CG PHE A 87 75.905 19.018 19.442 1.00 1.00 C ATOM 1379 CD1 PHE A 87 77.267 18.922 19.668 1.00 1.00 C ATOM 1380 CD2 PHE A 87 75.448 19.092 18.137 1.00 1.00 C ATOM 1381 CE1 PHE A 87 78.154 18.866 18.608 1.00 1.00 C ATOM 1382 CE2 PHE A 87 76.330 19.056 17.073 1.00 1.00 C ATOM 1383 CZ PHE A 87 77.686 18.935 17.309 1.00 1.00 C ATOM 0 H PHE A 87 73.351 20.040 22.611 1.00 1.00 H new ATOM 0 HA PHE A 87 75.646 21.014 21.041 1.00 1.00 H new ATOM 0 HB2 PHE A 87 75.325 18.439 21.400 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.995 18.609 20.272 1.00 1.00 H new ATOM 0 HD1 PHE A 87 77.641 18.891 20.681 1.00 1.00 H new ATOM 0 HD2 PHE A 87 74.388 19.179 17.948 1.00 1.00 H new ATOM 0 HE1 PHE A 87 79.213 18.768 18.795 1.00 1.00 H new ATOM 0 HE2 PHE A 87 75.960 19.122 16.060 1.00 1.00 H new ATOM 0 HZ PHE A 87 78.378 18.894 16.481 1.00 1.00 H new ATOM 1393 N GLN A 88 74.212 22.018 19.292 1.00 1.00 N ATOM 1394 CA GLN A 88 73.403 22.868 18.470 1.00 1.00 C ATOM 1395 C GLN A 88 73.152 22.224 17.145 1.00 1.00 C ATOM 1396 O GLN A 88 74.069 21.883 16.400 1.00 1.00 O ATOM 1397 CB GLN A 88 74.075 24.243 18.308 1.00 1.00 C ATOM 1398 CG GLN A 88 73.187 25.298 17.635 1.00 1.00 C ATOM 1399 CD GLN A 88 73.802 26.681 17.799 1.00 1.00 C ATOM 1400 OE1 GLN A 88 73.298 27.522 18.543 1.00 1.00 O ATOM 1401 NE2 GLN A 88 74.956 26.919 17.124 1.00 1.00 N ATOM 0 H GLN A 88 75.212 22.099 19.106 1.00 1.00 H new ATOM 0 HA GLN A 88 72.438 23.019 18.954 1.00 1.00 H new ATOM 0 HB2 GLN A 88 74.373 24.608 19.291 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.986 24.123 17.722 1.00 1.00 H new ATOM 0 HG2 GLN A 88 73.072 25.066 16.576 1.00 1.00 H new ATOM 0 HG3 GLN A 88 72.190 25.280 18.075 1.00 1.00 H new ATOM 0 HE21 GLN A 88 75.348 26.201 16.515 1.00 1.00 H new ATOM 0 HE22 GLN A 88 75.431 27.816 17.226 1.00 1.00 H new ATOM 1410 N GLN A 89 71.867 21.998 16.815 1.00 1.00 N ATOM 1411 CA GLN A 89 71.477 21.280 15.637 1.00 1.00 C ATOM 1412 C GLN A 89 71.531 22.143 14.416 1.00 1.00 C ATOM 1413 O GLN A 89 72.074 21.739 13.388 1.00 1.00 O ATOM 1414 CB GLN A 89 70.068 20.688 15.828 1.00 1.00 C ATOM 1415 CG GLN A 89 69.879 19.860 17.107 1.00 1.00 C ATOM 1416 CD GLN A 89 70.811 18.660 17.228 1.00 1.00 C ATOM 1417 OE1 GLN A 89 70.675 17.648 16.539 1.00 1.00 O ATOM 1418 NE2 GLN A 89 71.779 18.741 18.177 1.00 1.00 N ATOM 0 H GLN A 89 71.080 22.321 17.378 1.00 1.00 H new ATOM 0 HA GLN A 89 72.188 20.468 15.485 1.00 1.00 H new ATOM 0 HB2 GLN A 89 69.345 21.504 15.831 1.00 1.00 H new ATOM 0 HB3 GLN A 89 69.835 20.059 14.969 1.00 1.00 H new ATOM 0 HG2 GLN A 89 70.029 20.509 17.970 1.00 1.00 H new ATOM 0 HG3 GLN A 89 68.848 19.509 17.148 1.00 1.00 H new ATOM 0 HE21 GLN A 89 71.875 19.588 18.737 1.00 1.00 H new ATOM 0 HE22 GLN A 89 72.410 17.955 18.330 1.00 1.00 H new ATOM 1481 N VAL B 966 72.392 32.352 38.720 1.00 1.00 N ATOM 1482 CA VAL B 966 71.841 33.277 37.770 1.00 1.00 C ATOM 1483 C VAL B 966 70.348 33.298 37.693 1.00 1.00 C ATOM 1484 O VAL B 966 69.716 34.352 37.768 1.00 1.00 O ATOM 1485 CB VAL B 966 72.501 33.253 36.410 1.00 1.00 C ATOM 1486 CG1 VAL B 966 73.358 32.023 36.068 1.00 1.00 C ATOM 1487 CG2 VAL B 966 71.505 33.250 35.243 1.00 1.00 C ATOM 0 HA VAL B 966 72.107 34.242 38.202 1.00 1.00 H new ATOM 0 HB VAL B 966 73.107 34.154 36.506 1.00 1.00 H new ATOM 0 HG11 VAL B 966 73.771 32.135 35.066 1.00 1.00 H new ATOM 0 HG12 VAL B 966 74.171 31.935 36.788 1.00 1.00 H new ATOM 0 HG13 VAL B 966 72.740 31.126 36.107 1.00 1.00 H new ATOM 0 HG21 VAL B 966 72.050 33.232 34.299 1.00 1.00 H new ATOM 0 HG22 VAL B 966 70.868 32.368 35.311 1.00 1.00 H new ATOM 0 HG23 VAL B 966 70.888 34.147 35.289 1.00 1.00 H new ATOM 1497 N ILE B 967 69.737 32.112 37.559 1.00 1.00 N ATOM 1498 CA ILE B 967 68.335 31.954 37.290 1.00 1.00 C ATOM 1499 C ILE B 967 67.660 31.328 38.475 1.00 1.00 C ATOM 1500 O ILE B 967 67.970 30.208 38.875 1.00 1.00 O ATOM 1501 CB ILE B 967 68.124 31.217 35.990 1.00 1.00 C ATOM 1502 CG1 ILE B 967 68.234 32.158 34.774 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.770 30.490 35.946 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.756 31.480 33.505 1.00 1.00 C ATOM 0 H ILE B 967 70.233 31.225 37.640 1.00 1.00 H new ATOM 0 HA ILE B 967 67.863 32.926 37.149 1.00 1.00 H new ATOM 0 HB ILE B 967 68.919 30.473 35.938 1.00 1.00 H new ATOM 0 HG12 ILE B 967 67.252 32.584 34.568 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.894 32.987 35.028 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.665 29.975 34.991 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.720 29.764 36.758 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.964 31.215 36.058 1.00 1.00 H new ATOM 0 HD11 ILE B 967 68.804 32.209 32.696 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.752 31.078 33.691 1.00 1.00 H new ATOM 0 HD13 ILE B 967 68.084 30.669 33.223 1.00 1.00 H new ATOM 1516 N ASP B 968 66.740 32.053 39.139 1.00 1.00 N ATOM 1517 CA ASP B 968 65.894 31.570 40.194 1.00 1.00 C ATOM 1518 C ASP B 968 64.507 31.300 39.687 1.00 1.00 C ATOM 1519 O ASP B 968 63.750 32.249 39.482 1.00 1.00 O ATOM 1520 CB ASP B 968 65.857 32.633 41.312 1.00 1.00 C ATOM 1521 CG ASP B 968 67.261 32.971 41.784 1.00 1.00 C ATOM 1522 OD1 ASP B 968 67.926 32.088 42.387 1.00 1.00 O ATOM 1523 OD2 ASP B 968 67.727 34.121 41.571 1.00 1.00 O ATOM 0 H ASP B 968 66.576 33.037 38.927 1.00 1.00 H new ATOM 0 HA ASP B 968 66.292 30.632 40.580 1.00 1.00 H new ATOM 0 HB2 ASP B 968 65.365 33.534 40.946 1.00 1.00 H new ATOM 0 HB3 ASP B 968 65.266 32.265 42.150 1.00 1.00 H new ATOM 1528 N LEU B 969 64.092 30.045 39.423 1.00 1.00 N ATOM 1529 CA LEU B 969 62.868 29.796 38.708 1.00 1.00 C ATOM 1530 C LEU B 969 61.690 29.246 39.456 1.00 1.00 C ATOM 1531 O LEU B 969 61.797 28.626 40.513 1.00 1.00 O ATOM 1532 CB LEU B 969 63.107 28.973 37.430 1.00 1.00 C ATOM 1533 CG LEU B 969 63.845 27.648 37.671 1.00 1.00 C ATOM 1534 CD1 LEU B 969 63.490 26.615 36.599 1.00 1.00 C ATOM 1535 CD2 LEU B 969 65.364 27.786 37.533 1.00 1.00 C ATOM 0 H LEU B 969 64.599 29.205 39.702 1.00 1.00 H new ATOM 0 HA LEU B 969 62.560 30.816 38.477 1.00 1.00 H new ATOM 0 HB2 LEU B 969 62.146 28.762 36.961 1.00 1.00 H new ATOM 0 HB3 LEU B 969 63.681 29.574 36.725 1.00 1.00 H new ATOM 0 HG LEU B 969 63.548 27.353 38.677 1.00 1.00 H new ATOM 0 HD11 LEU B 969 64.027 25.687 36.796 1.00 1.00 H new ATOM 0 HD12 LEU B 969 62.417 26.424 36.619 1.00 1.00 H new ATOM 0 HD13 LEU B 969 63.772 26.997 35.618 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.835 26.820 37.714 1.00 1.00 H new ATOM 0 HD22 LEU B 969 65.608 28.127 36.527 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.731 28.510 38.260 1.00 1.00 H new