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 21 LYS NZ :NH3+ -141:sc= 1.15 (180deg=0) USER MOD Set 1.2: A 83 THR OG1 : rot 180:sc= 0.958 USER MOD Set 2.1: A 19 ASN : amide:sc= 0.641 X(o=-0.063,f=-0.56) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.703 X(o=-0.063,f=-0.28) USER MOD Single : A 17 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.0088) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 154:sc= 0.823 (180deg=0.476) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -179:sc=-0.00261 (180deg=-0.00323) USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.21) USER MOD Single : A 47 TYR OH : rot 30:sc= 0 USER MOD Single : A 48 CYS SG : rot 75:sc= 0.433 USER MOD Single : A 51 GLN : amide:sc= -0.0335 X(o=-0.033,f=-0.033) 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= -0.0242 X(o=-0.024,f=-0.078) USER MOD Single : A 65 GLN : amide:sc= 0.344 X(o=0.34,f=0) USER MOD Single : A 68 ASN : amide:sc= 1.17 K(o=1.2,f=-0.013) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot -170:sc= 0.456 USER MOD Single : A 75 GLN : amide:sc= 0.201 X(o=0.2,f=-0.2) USER MOD Single : A 78 MET CE :methyl 158:sc= -0.063 (180deg=-1.2) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 89 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 64.834 21.438 46.187 1.00 1.00 N ATOM 245 CA HIS A 17 65.626 22.253 45.314 1.00 1.00 C ATOM 246 C HIS A 17 67.007 21.695 45.172 1.00 1.00 C ATOM 247 O HIS A 17 67.589 21.159 46.114 1.00 1.00 O ATOM 248 CB HIS A 17 65.807 23.698 45.820 1.00 1.00 C ATOM 249 CG HIS A 17 64.558 24.527 45.872 1.00 1.00 C ATOM 250 ND1 HIS A 17 63.587 24.341 46.819 1.00 1.00 N ATOM 251 CD2 HIS A 17 64.159 25.580 45.110 1.00 1.00 C ATOM 252 CE1 HIS A 17 62.627 25.232 46.640 1.00 1.00 C ATOM 253 NE2 HIS A 17 62.952 25.992 45.609 1.00 1.00 N ATOM 0 HA HIS A 17 65.080 22.258 44.371 1.00 1.00 H new ATOM 0 HB2 HIS A 17 66.240 23.662 46.820 1.00 1.00 H new ATOM 0 HB3 HIS A 17 66.529 24.201 45.177 1.00 1.00 H new ATOM 0 HD2 HIS A 17 64.691 26.008 44.273 1.00 1.00 H new ATOM 0 HE1 HIS A 17 61.730 25.323 47.235 1.00 1.00 H new ATOM 0 HE2 HIS A 17 62.393 26.763 45.243 1.00 1.00 H new ATOM 262 N ILE A 18 67.566 21.847 43.960 1.00 1.00 N ATOM 263 CA ILE A 18 68.896 21.563 43.506 1.00 1.00 C ATOM 264 C ILE A 18 69.217 22.660 42.540 1.00 1.00 C ATOM 265 O ILE A 18 68.325 23.357 42.057 1.00 1.00 O ATOM 266 CB ILE A 18 69.059 20.227 42.826 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.982 19.953 41.761 1.00 1.00 C ATOM 268 CG2 ILE A 18 69.059 19.123 43.898 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.438 18.950 40.699 1.00 1.00 C ATOM 0 H ILE A 18 67.005 22.221 43.194 1.00 1.00 H new ATOM 0 HA ILE A 18 69.563 21.513 44.366 1.00 1.00 H new ATOM 0 HB ILE A 18 70.008 20.238 42.290 1.00 1.00 H new ATOM 0 HG12 ILE A 18 67.083 19.575 42.249 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.711 20.891 41.276 1.00 1.00 H new ATOM 0 HG21 ILE A 18 69.176 18.151 43.419 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.884 19.288 44.591 1.00 1.00 H new ATOM 0 HG23 ILE A 18 68.116 19.147 44.445 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.637 18.797 39.976 1.00 1.00 H new ATOM 0 HD12 ILE A 18 69.320 19.337 40.188 1.00 1.00 H new ATOM 0 HD13 ILE A 18 68.682 18.001 41.176 1.00 1.00 H new ATOM 281 N ASN A 19 70.497 22.922 42.221 1.00 1.00 N ATOM 282 CA ASN A 19 70.838 23.751 41.101 1.00 1.00 C ATOM 283 C ASN A 19 71.436 22.886 40.037 1.00 1.00 C ATOM 284 O ASN A 19 72.115 21.894 40.293 1.00 1.00 O ATOM 285 CB ASN A 19 71.820 24.896 41.407 1.00 1.00 C ATOM 286 CG ASN A 19 71.259 25.908 42.393 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.664 26.907 41.987 1.00 1.00 O ATOM 288 ND2 ASN A 19 71.505 25.713 43.714 1.00 1.00 N ATOM 0 H ASN A 19 71.299 22.560 42.738 1.00 1.00 H new ATOM 0 HA ASN A 19 69.909 24.229 40.790 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.743 24.479 41.808 1.00 1.00 H new ATOM 0 HB3 ASN A 19 72.078 25.405 40.478 1.00 1.00 H new ATOM 0 HD21 ASN A 19 71.195 26.403 44.398 1.00 1.00 H new ATOM 0 HD22 ASN A 19 72.000 24.876 44.022 1.00 1.00 H new ATOM 295 N LEU A 20 71.179 23.197 38.756 1.00 1.00 N ATOM 296 CA LEU A 20 71.870 22.544 37.683 1.00 1.00 C ATOM 297 C LEU A 20 72.412 23.641 36.820 1.00 1.00 C ATOM 298 O LEU A 20 71.878 24.749 36.830 1.00 1.00 O ATOM 299 CB LEU A 20 70.965 21.539 36.944 1.00 1.00 C ATOM 300 CG LEU A 20 70.172 22.020 35.716 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.520 20.801 35.043 1.00 1.00 C ATOM 302 CD2 LEU A 20 69.075 23.061 35.990 1.00 1.00 C ATOM 0 H LEU A 20 70.497 23.896 38.461 1.00 1.00 H new ATOM 0 HA LEU A 20 72.691 21.922 38.040 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.589 20.703 36.627 1.00 1.00 H new ATOM 0 HB3 LEU A 20 70.249 21.146 37.666 1.00 1.00 H new ATOM 0 HG LEU A 20 70.903 22.523 35.083 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.954 21.127 34.170 1.00 1.00 H new ATOM 0 HD12 LEU A 20 70.294 20.099 34.732 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.849 20.311 35.749 1.00 1.00 H new ATOM 0 HD21 LEU A 20 68.583 23.326 35.054 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.342 22.644 36.680 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.521 23.953 36.431 1.00 1.00 H new ATOM 314 N LYS A 21 73.499 23.432 36.056 1.00 1.00 N ATOM 315 CA LYS A 21 73.966 24.339 35.049 1.00 1.00 C ATOM 316 C LYS A 21 74.082 23.674 33.715 1.00 1.00 C ATOM 317 O LYS A 21 74.294 22.467 33.600 1.00 1.00 O ATOM 318 CB LYS A 21 75.240 25.104 35.462 1.00 1.00 C ATOM 319 CG LYS A 21 76.611 24.624 34.969 1.00 1.00 C ATOM 320 CD LYS A 21 77.113 23.276 35.493 1.00 1.00 C ATOM 321 CE LYS A 21 77.350 23.226 37.004 1.00 1.00 C ATOM 322 NZ LYS A 21 78.108 22.007 37.354 1.00 1.00 N ATOM 0 H LYS A 21 74.078 22.597 36.142 1.00 1.00 H new ATOM 0 HA LYS A 21 73.201 25.109 34.946 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.120 26.137 35.134 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.273 25.117 36.551 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.579 24.572 33.881 1.00 1.00 H new ATOM 0 HG3 LYS A 21 77.348 25.383 35.230 1.00 1.00 H new ATOM 0 HD2 LYS A 21 76.389 22.506 35.227 1.00 1.00 H new ATOM 0 HD3 LYS A 21 78.045 23.028 34.984 1.00 1.00 H new ATOM 0 HE2 LYS A 21 77.900 24.111 37.324 1.00 1.00 H new ATOM 0 HE3 LYS A 21 76.396 23.235 37.531 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 77.741 21.613 38.244 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 78.004 21.304 36.595 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 79.114 22.245 37.470 1.00 1.00 H new ATOM 336 N VAL A 22 73.908 24.456 32.635 1.00 1.00 N ATOM 337 CA VAL A 22 74.018 23.980 31.287 1.00 1.00 C ATOM 338 C VAL A 22 75.242 24.576 30.668 1.00 1.00 C ATOM 339 O VAL A 22 75.548 25.750 30.875 1.00 1.00 O ATOM 340 CB VAL A 22 72.769 24.238 30.486 1.00 1.00 C ATOM 341 CG1 VAL A 22 72.604 25.719 30.102 1.00 1.00 C ATOM 342 CG2 VAL A 22 72.764 23.357 29.226 1.00 1.00 C ATOM 0 H VAL A 22 73.684 25.449 32.699 1.00 1.00 H new ATOM 0 HA VAL A 22 74.123 22.895 31.294 1.00 1.00 H new ATOM 0 HB VAL A 22 71.921 23.981 31.120 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.687 25.846 29.526 1.00 1.00 H new ATOM 0 HG12 VAL A 22 72.551 26.326 31.006 1.00 1.00 H new ATOM 0 HG13 VAL A 22 73.456 26.036 29.501 1.00 1.00 H new ATOM 0 HG21 VAL A 22 71.858 23.549 28.651 1.00 1.00 H new ATOM 0 HG22 VAL A 22 73.637 23.590 28.616 1.00 1.00 H new ATOM 0 HG23 VAL A 22 72.794 22.307 29.516 1.00 1.00 H new ATOM 352 N ALA A 23 76.015 23.756 29.932 1.00 1.00 N ATOM 353 CA ALA A 23 77.276 24.125 29.362 1.00 1.00 C ATOM 354 C ALA A 23 77.282 23.975 27.871 1.00 1.00 C ATOM 355 O ALA A 23 76.927 22.937 27.312 1.00 1.00 O ATOM 356 CB ALA A 23 78.359 23.214 29.967 1.00 1.00 C ATOM 0 H ALA A 23 75.750 22.793 29.725 1.00 1.00 H new ATOM 0 HA ALA A 23 77.467 25.174 29.587 1.00 1.00 H new ATOM 0 HB1 ALA A 23 79.331 23.476 29.548 1.00 1.00 H new ATOM 0 HB2 ALA A 23 78.383 23.346 31.049 1.00 1.00 H new ATOM 0 HB3 ALA A 23 78.132 22.174 29.734 1.00 1.00 H new ATOM 362 N GLY A 24 77.727 25.032 27.167 1.00 1.00 N ATOM 363 CA GLY A 24 77.755 25.086 25.733 1.00 1.00 C ATOM 364 C GLY A 24 79.130 25.061 25.151 1.00 1.00 C ATOM 365 O GLY A 24 80.147 25.023 25.841 1.00 1.00 O ATOM 0 H GLY A 24 78.080 25.880 27.610 1.00 1.00 H new ATOM 0 HA2 GLY A 24 77.188 24.243 25.337 1.00 1.00 H new ATOM 0 HA3 GLY A 24 77.249 25.993 25.404 1.00 1.00 H new ATOM 416 N VAL A 29 77.919 29.259 30.052 1.00 1.00 N ATOM 417 CA VAL A 29 77.391 28.517 31.160 1.00 1.00 C ATOM 418 C VAL A 29 76.254 29.281 31.763 1.00 1.00 C ATOM 419 O VAL A 29 76.375 30.475 32.031 1.00 1.00 O ATOM 420 CB VAL A 29 78.476 28.156 32.141 1.00 1.00 C ATOM 421 CG1 VAL A 29 79.119 29.383 32.812 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.932 27.156 33.174 1.00 1.00 C ATOM 0 HA VAL A 29 76.993 27.562 30.819 1.00 1.00 H new ATOM 0 HB VAL A 29 79.282 27.682 31.580 1.00 1.00 H new ATOM 0 HG11 VAL A 29 79.892 29.054 33.507 1.00 1.00 H new ATOM 0 HG12 VAL A 29 79.564 30.023 32.050 1.00 1.00 H new ATOM 0 HG13 VAL A 29 78.357 29.942 33.355 1.00 1.00 H new ATOM 0 HG21 VAL A 29 78.720 26.898 33.881 1.00 1.00 H new ATOM 0 HG22 VAL A 29 77.096 27.605 33.710 1.00 1.00 H new ATOM 0 HG23 VAL A 29 77.593 26.254 32.664 1.00 1.00 H new ATOM 432 N VAL A 30 75.063 28.676 31.935 1.00 1.00 N ATOM 433 CA VAL A 30 74.046 29.262 32.766 1.00 1.00 C ATOM 434 C VAL A 30 73.520 28.271 33.756 1.00 1.00 C ATOM 435 O VAL A 30 73.284 27.117 33.403 1.00 1.00 O ATOM 436 CB VAL A 30 73.001 30.069 32.035 1.00 1.00 C ATOM 437 CG1 VAL A 30 71.722 29.315 31.645 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.502 31.216 32.926 1.00 1.00 C ATOM 0 H VAL A 30 74.802 27.789 31.504 1.00 1.00 H new ATOM 0 HA VAL A 30 74.537 30.041 33.349 1.00 1.00 H new ATOM 0 HB VAL A 30 73.521 30.381 31.129 1.00 1.00 H new ATOM 0 HG11 VAL A 30 71.044 29.993 31.126 1.00 1.00 H new ATOM 0 HG12 VAL A 30 71.976 28.483 30.988 1.00 1.00 H new ATOM 0 HG13 VAL A 30 71.236 28.933 32.543 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.748 31.792 32.389 1.00 1.00 H new ATOM 0 HG22 VAL A 30 72.065 30.806 33.836 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.338 31.865 33.186 1.00 1.00 H new ATOM 448 N GLN A 31 73.336 28.651 35.035 1.00 1.00 N ATOM 449 CA GLN A 31 72.753 27.803 36.035 1.00 1.00 C ATOM 450 C GLN A 31 71.392 28.224 36.483 1.00 1.00 C ATOM 451 O GLN A 31 70.980 29.383 36.482 1.00 1.00 O ATOM 452 CB GLN A 31 73.657 27.603 37.267 1.00 1.00 C ATOM 453 CG GLN A 31 73.625 28.660 38.381 1.00 1.00 C ATOM 454 CD GLN A 31 72.875 28.232 39.639 1.00 1.00 C ATOM 455 OE1 GLN A 31 73.492 27.872 40.642 1.00 1.00 O ATOM 456 NE2 GLN A 31 71.519 28.284 39.627 1.00 1.00 N ATOM 0 H GLN A 31 73.599 29.572 35.385 1.00 1.00 H new ATOM 0 HA GLN A 31 72.648 26.849 35.518 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.400 26.643 37.714 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.685 27.525 36.914 1.00 1.00 H new ATOM 0 HG2 GLN A 31 74.650 28.914 38.653 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.165 29.567 37.990 1.00 1.00 H new ATOM 0 HE21 GLN A 31 71.028 28.585 38.785 1.00 1.00 H new ATOM 0 HE22 GLN A 31 70.991 28.022 40.460 1.00 1.00 H new ATOM 465 N PHE A 32 70.626 27.229 36.957 1.00 1.00 N ATOM 466 CA PHE A 32 69.236 27.396 37.250 1.00 1.00 C ATOM 467 C PHE A 32 68.978 26.652 38.525 1.00 1.00 C ATOM 468 O PHE A 32 69.514 25.566 38.732 1.00 1.00 O ATOM 469 CB PHE A 32 68.389 26.799 36.108 1.00 1.00 C ATOM 470 CG PHE A 32 68.959 26.827 34.725 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.958 25.947 34.348 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.397 27.622 33.745 1.00 1.00 C ATOM 473 CE1 PHE A 32 70.412 25.878 33.044 1.00 1.00 C ATOM 474 CE2 PHE A 32 68.845 27.576 32.438 1.00 1.00 C ATOM 475 CZ PHE A 32 69.843 26.691 32.083 1.00 1.00 C ATOM 0 H PHE A 32 70.977 26.289 37.141 1.00 1.00 H new ATOM 0 HA PHE A 32 68.972 28.449 37.350 1.00 1.00 H new ATOM 0 HB2 PHE A 32 68.173 25.761 36.360 1.00 1.00 H new ATOM 0 HB3 PHE A 32 67.436 27.327 36.087 1.00 1.00 H new ATOM 0 HD1 PHE A 32 70.395 25.297 35.092 1.00 1.00 H new ATOM 0 HD2 PHE A 32 67.592 28.293 34.005 1.00 1.00 H new ATOM 0 HE1 PHE A 32 71.205 25.194 32.779 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.415 28.232 31.696 1.00 1.00 H new ATOM 0 HZ PHE A 32 70.178 26.634 31.058 1.00 1.00 H new ATOM 485 N LYS A 33 68.146 27.203 39.427 1.00 1.00 N ATOM 486 CA LYS A 33 67.742 26.620 40.673 1.00 1.00 C ATOM 487 C LYS A 33 66.387 26.023 40.460 1.00 1.00 C ATOM 488 O LYS A 33 65.429 26.713 40.110 1.00 1.00 O ATOM 489 CB LYS A 33 67.625 27.661 41.803 1.00 1.00 C ATOM 490 CG LYS A 33 67.357 27.049 43.183 1.00 1.00 C ATOM 491 CD LYS A 33 67.362 28.077 44.320 1.00 1.00 C ATOM 492 CE LYS A 33 66.258 29.135 44.247 1.00 1.00 C ATOM 493 NZ LYS A 33 66.328 30.026 45.426 1.00 1.00 N ATOM 0 H LYS A 33 67.726 28.120 39.276 1.00 1.00 H new ATOM 0 HA LYS A 33 68.492 25.888 40.971 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.546 28.242 41.846 1.00 1.00 H new ATOM 0 HB3 LYS A 33 66.821 28.356 41.562 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.392 26.543 43.166 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.112 26.289 43.387 1.00 1.00 H new ATOM 0 HD2 LYS A 33 67.273 27.547 45.268 1.00 1.00 H new ATOM 0 HD3 LYS A 33 68.328 28.582 44.327 1.00 1.00 H new ATOM 0 HE2 LYS A 33 66.364 29.720 43.333 1.00 1.00 H new ATOM 0 HE3 LYS A 33 65.282 28.651 44.205 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 65.574 30.740 45.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 66.206 29.465 46.293 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 67.253 30.500 45.448 1.00 1.00 H new ATOM 507 N ILE A 34 66.319 24.693 40.638 1.00 1.00 N ATOM 508 CA ILE A 34 65.368 23.800 40.047 1.00 1.00 C ATOM 509 C ILE A 34 65.018 22.730 41.020 1.00 1.00 C ATOM 510 O ILE A 34 65.700 22.451 42.003 1.00 1.00 O ATOM 511 CB ILE A 34 65.805 23.207 38.734 1.00 1.00 C ATOM 512 CG1 ILE A 34 64.932 22.120 38.076 1.00 1.00 C ATOM 513 CG2 ILE A 34 67.274 22.768 38.871 1.00 1.00 C ATOM 514 CD1 ILE A 34 65.226 21.879 36.596 1.00 1.00 C ATOM 0 H ILE A 34 66.980 24.204 41.242 1.00 1.00 H new ATOM 0 HA ILE A 34 64.489 24.399 39.809 1.00 1.00 H new ATOM 0 HB ILE A 34 65.673 24.013 38.012 1.00 1.00 H new ATOM 0 HG12 ILE A 34 65.070 21.184 38.618 1.00 1.00 H new ATOM 0 HG13 ILE A 34 63.884 22.399 38.184 1.00 1.00 H new ATOM 0 HG21 ILE A 34 67.613 22.334 37.930 1.00 1.00 H new ATOM 0 HG22 ILE A 34 67.891 23.633 39.115 1.00 1.00 H new ATOM 0 HG23 ILE A 34 67.359 22.026 39.664 1.00 1.00 H new ATOM 0 HD11 ILE A 34 64.566 21.099 36.216 1.00 1.00 H new ATOM 0 HD12 ILE A 34 65.059 22.800 36.037 1.00 1.00 H new ATOM 0 HD13 ILE A 34 66.263 21.566 36.477 1.00 1.00 H new ATOM 526 N LYS A 35 63.809 22.195 40.803 1.00 1.00 N ATOM 527 CA LYS A 35 63.207 21.245 41.690 1.00 1.00 C ATOM 528 C LYS A 35 62.994 19.915 41.041 1.00 1.00 C ATOM 529 O LYS A 35 63.042 19.751 39.824 1.00 1.00 O ATOM 530 CB LYS A 35 61.943 21.775 42.391 1.00 1.00 C ATOM 531 CG LYS A 35 62.235 23.046 43.195 1.00 1.00 C ATOM 532 CD LYS A 35 62.051 24.339 42.394 1.00 1.00 C ATOM 533 CE LYS A 35 60.560 24.641 42.242 1.00 1.00 C ATOM 534 NZ LYS A 35 60.315 26.022 41.783 1.00 1.00 N ATOM 0 H LYS A 35 63.232 22.425 39.994 1.00 1.00 H new ATOM 0 HA LYS A 35 63.932 21.088 42.488 1.00 1.00 H new ATOM 0 HB2 LYS A 35 61.174 21.983 41.647 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.545 21.007 43.055 1.00 1.00 H new ATOM 0 HG2 LYS A 35 61.580 23.073 44.066 1.00 1.00 H new ATOM 0 HG3 LYS A 35 63.259 23.002 43.567 1.00 1.00 H new ATOM 0 HD2 LYS A 35 62.550 25.166 42.899 1.00 1.00 H new ATOM 0 HD3 LYS A 35 62.514 24.239 41.412 1.00 1.00 H new ATOM 0 HE2 LYS A 35 60.120 23.941 41.532 1.00 1.00 H new ATOM 0 HE3 LYS A 35 60.060 24.483 43.198 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 59.404 26.065 41.284 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 60.291 26.661 42.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 61.077 26.314 41.138 1.00 1.00 H new ATOM 548 N ARG A 36 62.813 18.887 41.889 1.00 1.00 N ATOM 549 CA ARG A 36 62.906 17.498 41.541 1.00 1.00 C ATOM 550 C ARG A 36 61.918 17.043 40.510 1.00 1.00 C ATOM 551 O ARG A 36 62.225 16.247 39.624 1.00 1.00 O ATOM 552 CB ARG A 36 62.765 16.646 42.820 1.00 1.00 C ATOM 553 CG ARG A 36 63.101 15.156 42.679 1.00 1.00 C ATOM 554 CD ARG A 36 64.587 14.855 42.459 1.00 1.00 C ATOM 555 NE ARG A 36 64.743 13.371 42.454 1.00 1.00 N ATOM 556 CZ ARG A 36 65.935 12.737 42.589 1.00 1.00 C ATOM 557 NH1 ARG A 36 67.108 13.415 42.638 1.00 1.00 N ATOM 558 NH2 ARG A 36 65.985 11.388 42.705 1.00 1.00 N ATOM 0 H ARG A 36 62.589 19.031 42.874 1.00 1.00 H new ATOM 0 HA ARG A 36 63.885 17.363 41.081 1.00 1.00 H new ATOM 0 HB2 ARG A 36 63.410 17.072 43.589 1.00 1.00 H new ATOM 0 HB3 ARG A 36 61.740 16.734 43.179 1.00 1.00 H new ATOM 0 HG2 ARG A 36 62.767 14.635 43.577 1.00 1.00 H new ATOM 0 HG3 ARG A 36 62.533 14.747 41.843 1.00 1.00 H new ATOM 0 HD2 ARG A 36 64.930 15.281 41.516 1.00 1.00 H new ATOM 0 HD3 ARG A 36 65.191 15.302 43.249 1.00 1.00 H new ATOM 0 HE ARG A 36 63.905 12.800 42.343 1.00 1.00 H new ATOM 0 HH11 ARG A 36 67.112 14.433 42.573 1.00 1.00 H new ATOM 0 HH12 ARG A 36 67.987 12.907 42.740 1.00 1.00 H new ATOM 0 HH21 ARG A 36 65.123 10.843 42.691 1.00 1.00 H new ATOM 0 HH22 ARG A 36 66.884 10.918 42.806 1.00 1.00 H new ATOM 572 N HIS A 37 60.681 17.564 40.576 1.00 1.00 N ATOM 573 CA HIS A 37 59.627 17.268 39.649 1.00 1.00 C ATOM 574 C HIS A 37 59.419 18.335 38.621 1.00 1.00 C ATOM 575 O HIS A 37 58.409 18.335 37.918 1.00 1.00 O ATOM 576 CB HIS A 37 58.321 17.038 40.431 1.00 1.00 C ATOM 577 CG HIS A 37 58.462 15.885 41.383 1.00 1.00 C ATOM 578 ND1 HIS A 37 58.274 16.005 42.733 1.00 1.00 N ATOM 579 CD2 HIS A 37 58.760 14.581 41.148 1.00 1.00 C ATOM 580 CE1 HIS A 37 58.453 14.828 43.305 1.00 1.00 C ATOM 581 NE2 HIS A 37 58.739 13.947 42.362 1.00 1.00 N ATOM 0 H HIS A 37 60.400 18.220 41.305 1.00 1.00 H new ATOM 0 HA HIS A 37 59.921 16.371 39.105 1.00 1.00 H new ATOM 0 HB2 HIS A 37 58.059 17.941 40.983 1.00 1.00 H new ATOM 0 HB3 HIS A 37 57.505 16.842 39.735 1.00 1.00 H new ATOM 0 HD2 HIS A 37 58.972 14.131 40.189 1.00 1.00 H new ATOM 0 HE1 HIS A 37 58.378 14.621 44.362 1.00 1.00 H new ATOM 0 HE2 HIS A 37 58.916 12.954 42.514 1.00 1.00 H new ATOM 590 N THR A 38 60.365 19.279 38.455 1.00 1.00 N ATOM 591 CA THR A 38 60.317 20.284 37.428 1.00 1.00 C ATOM 592 C THR A 38 60.927 19.741 36.173 1.00 1.00 C ATOM 593 O THR A 38 62.085 19.336 36.252 1.00 1.00 O ATOM 594 CB THR A 38 61.087 21.534 37.766 1.00 1.00 C ATOM 595 OG1 THR A 38 60.815 22.011 39.076 1.00 1.00 O ATOM 596 CG2 THR A 38 60.746 22.682 36.802 1.00 1.00 C ATOM 0 H THR A 38 61.189 19.348 39.052 1.00 1.00 H new ATOM 0 HA THR A 38 59.264 20.541 37.317 1.00 1.00 H new ATOM 0 HB THR A 38 62.136 21.247 37.686 1.00 1.00 H new ATOM 0 HG1 THR A 38 61.340 22.821 39.245 1.00 1.00 H new ATOM 0 HG21 THR A 38 61.319 23.568 37.075 1.00 1.00 H new ATOM 0 HG22 THR A 38 60.996 22.388 35.783 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.681 22.905 36.864 1.00 1.00 H new ATOM 604 N PRO A 39 60.327 19.640 35.016 1.00 1.00 N ATOM 605 CA PRO A 39 60.989 19.131 33.841 1.00 1.00 C ATOM 606 C PRO A 39 62.150 19.939 33.354 1.00 1.00 C ATOM 607 O PRO A 39 62.283 21.130 33.634 1.00 1.00 O ATOM 608 CB PRO A 39 59.885 19.047 32.786 1.00 1.00 C ATOM 609 CG PRO A 39 58.882 20.129 33.211 1.00 1.00 C ATOM 610 CD PRO A 39 58.958 20.061 34.742 1.00 1.00 C ATOM 0 HA PRO A 39 61.453 18.172 34.070 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.274 19.234 31.785 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.424 18.060 32.769 1.00 1.00 H new ATOM 0 HG2 PRO A 39 59.160 21.113 32.833 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.877 19.919 32.844 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.741 21.029 35.194 1.00 1.00 H new ATOM 0 HD3 PRO A 39 58.235 19.352 35.145 1.00 1.00 H new ATOM 618 N LEU A 40 63.032 19.293 32.569 1.00 1.00 N ATOM 619 CA LEU A 40 64.207 19.876 31.988 1.00 1.00 C ATOM 620 C LEU A 40 63.933 20.975 31.010 1.00 1.00 C ATOM 621 O LEU A 40 64.734 21.884 30.798 1.00 1.00 O ATOM 622 CB LEU A 40 65.306 18.878 31.588 1.00 1.00 C ATOM 623 CG LEU A 40 65.116 18.132 30.259 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.920 18.772 29.117 1.00 1.00 C ATOM 625 CD2 LEU A 40 65.574 16.685 30.491 1.00 1.00 C ATOM 0 H LEU A 40 62.920 18.309 32.325 1.00 1.00 H new ATOM 0 HA LEU A 40 64.677 20.401 32.820 1.00 1.00 H new ATOM 0 HB2 LEU A 40 66.253 19.416 31.543 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.398 18.138 32.383 1.00 1.00 H new ATOM 0 HG LEU A 40 64.070 18.176 29.957 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.755 18.211 28.197 1.00 1.00 H new ATOM 0 HD12 LEU A 40 65.595 19.803 28.977 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.981 18.757 29.366 1.00 1.00 H new ATOM 0 HD21 LEU A 40 65.457 16.114 29.570 1.00 1.00 H new ATOM 0 HD22 LEU A 40 66.622 16.679 30.791 1.00 1.00 H new ATOM 0 HD23 LEU A 40 64.969 16.233 31.277 1.00 1.00 H new ATOM 637 N SER A 41 62.742 20.956 30.387 1.00 1.00 N ATOM 638 CA SER A 41 62.237 22.026 29.573 1.00 1.00 C ATOM 639 C SER A 41 62.245 23.365 30.244 1.00 1.00 C ATOM 640 O SER A 41 62.385 24.382 29.567 1.00 1.00 O ATOM 641 CB SER A 41 60.787 21.758 29.120 1.00 1.00 C ATOM 642 OG SER A 41 59.893 21.635 30.220 1.00 1.00 O ATOM 0 H SER A 41 62.102 20.164 30.451 1.00 1.00 H new ATOM 0 HA SER A 41 62.922 22.055 28.726 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.455 22.570 28.473 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.757 20.845 28.526 1.00 1.00 H new ATOM 0 HG SER A 41 58.986 21.468 29.888 1.00 1.00 H new ATOM 648 N LYS A 42 62.121 23.448 31.583 1.00 1.00 N ATOM 649 CA LYS A 42 62.042 24.709 32.262 1.00 1.00 C ATOM 650 C LYS A 42 63.356 25.423 32.248 1.00 1.00 C ATOM 651 O LYS A 42 63.442 26.615 31.959 1.00 1.00 O ATOM 652 CB LYS A 42 61.528 24.520 33.701 1.00 1.00 C ATOM 653 CG LYS A 42 61.194 25.803 34.474 1.00 1.00 C ATOM 654 CD LYS A 42 60.127 26.693 33.826 1.00 1.00 C ATOM 655 CE LYS A 42 60.670 28.031 33.316 1.00 1.00 C ATOM 656 NZ LYS A 42 59.647 28.753 32.528 1.00 1.00 N ATOM 0 H LYS A 42 62.075 22.637 32.200 1.00 1.00 H new ATOM 0 HA LYS A 42 61.328 25.333 31.724 1.00 1.00 H new ATOM 0 HB2 LYS A 42 60.634 23.898 33.667 1.00 1.00 H new ATOM 0 HB3 LYS A 42 62.280 23.967 34.264 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.858 25.529 35.474 1.00 1.00 H new ATOM 0 HG3 LYS A 42 62.108 26.385 34.593 1.00 1.00 H new ATOM 0 HD2 LYS A 42 59.673 26.154 32.994 1.00 1.00 H new ATOM 0 HD3 LYS A 42 59.336 26.884 34.551 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.984 28.645 34.160 1.00 1.00 H new ATOM 0 HE3 LYS A 42 61.553 27.858 32.701 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 60.040 29.656 32.194 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 59.366 28.174 31.711 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 58.815 28.937 33.125 1.00 1.00 H new ATOM 670 N LEU A 43 64.464 24.697 32.487 1.00 1.00 N ATOM 671 CA LEU A 43 65.775 25.251 32.310 1.00 1.00 C ATOM 672 C LEU A 43 66.098 25.562 30.882 1.00 1.00 C ATOM 673 O LEU A 43 66.713 26.582 30.576 1.00 1.00 O ATOM 674 CB LEU A 43 66.910 24.451 32.978 1.00 1.00 C ATOM 675 CG LEU A 43 67.239 23.053 32.426 1.00 1.00 C ATOM 676 CD1 LEU A 43 68.738 22.874 32.135 1.00 1.00 C ATOM 677 CD2 LEU A 43 66.685 21.971 33.365 1.00 1.00 C ATOM 0 H LEU A 43 64.454 23.727 32.803 1.00 1.00 H new ATOM 0 HA LEU A 43 65.723 26.197 32.849 1.00 1.00 H new ATOM 0 HB2 LEU A 43 67.818 25.052 32.923 1.00 1.00 H new ATOM 0 HB3 LEU A 43 66.663 24.342 34.034 1.00 1.00 H new ATOM 0 HG LEU A 43 66.744 22.945 31.461 1.00 1.00 H new ATOM 0 HD11 LEU A 43 68.916 21.871 31.748 1.00 1.00 H new ATOM 0 HD12 LEU A 43 69.056 23.610 31.396 1.00 1.00 H new ATOM 0 HD13 LEU A 43 69.306 23.014 33.054 1.00 1.00 H new ATOM 0 HD21 LEU A 43 66.923 20.985 32.965 1.00 1.00 H new ATOM 0 HD22 LEU A 43 67.135 22.081 34.352 1.00 1.00 H new ATOM 0 HD23 LEU A 43 65.603 22.078 33.445 1.00 1.00 H new ATOM 689 N MET A 44 65.657 24.732 29.919 1.00 1.00 N ATOM 690 CA MET A 44 65.841 24.987 28.518 1.00 1.00 C ATOM 691 C MET A 44 65.173 26.237 28.037 1.00 1.00 C ATOM 692 O MET A 44 65.761 27.040 27.316 1.00 1.00 O ATOM 693 CB MET A 44 65.365 23.777 27.693 1.00 1.00 C ATOM 694 CG MET A 44 65.790 23.807 26.220 1.00 1.00 C ATOM 695 SD MET A 44 65.054 22.471 25.230 1.00 1.00 S ATOM 696 CE MET A 44 66.160 21.128 25.749 1.00 1.00 C ATOM 0 H MET A 44 65.161 23.863 30.116 1.00 1.00 H new ATOM 0 HA MET A 44 66.910 25.142 28.374 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.751 22.866 28.151 1.00 1.00 H new ATOM 0 HB3 MET A 44 64.277 23.724 27.744 1.00 1.00 H new ATOM 0 HG2 MET A 44 65.509 24.767 25.788 1.00 1.00 H new ATOM 0 HG3 MET A 44 66.876 23.737 26.161 1.00 1.00 H new ATOM 0 HE1 MET A 44 65.883 20.209 25.233 1.00 1.00 H new ATOM 0 HE2 MET A 44 67.189 21.388 25.501 1.00 1.00 H new ATOM 0 HE3 MET A 44 66.072 20.980 26.825 1.00 1.00 H new ATOM 706 N LYS A 45 63.930 26.486 28.486 1.00 1.00 N ATOM 707 CA LYS A 45 63.188 27.682 28.207 1.00 1.00 C ATOM 708 C LYS A 45 63.848 28.903 28.764 1.00 1.00 C ATOM 709 O LYS A 45 64.009 29.931 28.107 1.00 1.00 O ATOM 710 CB LYS A 45 61.774 27.534 28.800 1.00 1.00 C ATOM 711 CG LYS A 45 60.766 28.633 28.445 1.00 1.00 C ATOM 712 CD LYS A 45 60.369 28.638 26.966 1.00 1.00 C ATOM 713 CE LYS A 45 61.181 29.608 26.105 1.00 1.00 C ATOM 714 NZ LYS A 45 60.603 30.968 26.135 1.00 1.00 N ATOM 0 H LYS A 45 63.417 25.826 29.070 1.00 1.00 H new ATOM 0 HA LYS A 45 63.142 27.811 27.126 1.00 1.00 H new ATOM 0 HB2 LYS A 45 61.365 26.578 28.474 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.862 27.489 29.886 1.00 1.00 H new ATOM 0 HG2 LYS A 45 59.871 28.505 29.054 1.00 1.00 H new ATOM 0 HG3 LYS A 45 61.191 29.603 28.703 1.00 1.00 H new ATOM 0 HD2 LYS A 45 60.484 27.630 26.566 1.00 1.00 H new ATOM 0 HD3 LYS A 45 59.313 28.894 26.885 1.00 1.00 H new ATOM 0 HE2 LYS A 45 62.210 29.640 26.462 1.00 1.00 H new ATOM 0 HE3 LYS A 45 61.212 29.247 25.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 61.114 31.577 25.464 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 59.599 30.924 25.868 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 60.689 31.361 27.094 1.00 1.00 H new ATOM 728 N ALA A 46 64.334 28.793 30.013 1.00 1.00 N ATOM 729 CA ALA A 46 65.044 29.817 30.724 1.00 1.00 C ATOM 730 C ALA A 46 66.361 30.179 30.109 1.00 1.00 C ATOM 731 O ALA A 46 66.737 31.348 30.052 1.00 1.00 O ATOM 732 CB ALA A 46 65.212 29.397 32.194 1.00 1.00 C ATOM 0 H ALA A 46 64.226 27.939 30.561 1.00 1.00 H new ATOM 0 HA ALA A 46 64.443 30.724 30.664 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.751 30.174 32.735 1.00 1.00 H new ATOM 0 HB2 ALA A 46 64.230 29.254 32.646 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.773 28.464 32.244 1.00 1.00 H new ATOM 738 N TYR A 47 67.110 29.193 29.579 1.00 1.00 N ATOM 739 CA TYR A 47 68.318 29.374 28.823 1.00 1.00 C ATOM 740 C TYR A 47 68.074 30.169 27.578 1.00 1.00 C ATOM 741 O TYR A 47 68.816 31.090 27.244 1.00 1.00 O ATOM 742 CB TYR A 47 68.907 27.991 28.470 1.00 1.00 C ATOM 743 CG TYR A 47 70.292 27.947 27.904 1.00 1.00 C ATOM 744 CD1 TYR A 47 71.299 28.821 28.278 1.00 1.00 C ATOM 745 CD2 TYR A 47 70.606 26.932 27.018 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.590 28.675 27.801 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.889 26.783 26.525 1.00 1.00 C ATOM 748 CZ TYR A 47 72.889 27.653 26.920 1.00 1.00 C ATOM 749 OH TYR A 47 74.189 27.494 26.393 1.00 1.00 O ATOM 0 H TYR A 47 66.859 28.210 29.684 1.00 1.00 H new ATOM 0 HA TYR A 47 69.028 29.934 29.432 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.895 27.381 29.373 1.00 1.00 H new ATOM 0 HB3 TYR A 47 68.237 27.514 27.754 1.00 1.00 H new ATOM 0 HD1 TYR A 47 71.073 29.632 28.955 1.00 1.00 H new ATOM 0 HD2 TYR A 47 69.835 26.243 26.706 1.00 1.00 H new ATOM 0 HE1 TYR A 47 73.363 29.359 28.117 1.00 1.00 H new ATOM 0 HE2 TYR A 47 72.111 25.986 25.831 1.00 1.00 H new ATOM 0 HH TYR A 47 74.847 27.822 27.041 1.00 1.00 H new ATOM 759 N CYS A 48 66.967 29.882 26.870 1.00 1.00 N ATOM 760 CA CYS A 48 66.545 30.615 25.710 1.00 1.00 C ATOM 761 C CYS A 48 66.201 32.043 25.998 1.00 1.00 C ATOM 762 O CYS A 48 66.600 32.943 25.261 1.00 1.00 O ATOM 763 CB CYS A 48 65.352 29.931 25.018 1.00 1.00 C ATOM 764 SG CYS A 48 65.798 28.288 24.378 1.00 1.00 S ATOM 0 H CYS A 48 66.342 29.113 27.111 1.00 1.00 H new ATOM 0 HA CYS A 48 67.407 30.616 25.042 1.00 1.00 H new ATOM 0 HB2 CYS A 48 64.528 29.835 25.725 1.00 1.00 H new ATOM 0 HB3 CYS A 48 64.998 30.557 24.199 1.00 1.00 H new ATOM 0 HG CYS A 48 65.884 27.447 25.365 1.00 1.00 H new ATOM 770 N GLU A 49 65.476 32.309 27.101 1.00 1.00 N ATOM 771 CA GLU A 49 65.116 33.629 27.535 1.00 1.00 C ATOM 772 C GLU A 49 66.284 34.438 28.011 1.00 1.00 C ATOM 773 O GLU A 49 66.499 35.562 27.561 1.00 1.00 O ATOM 774 CB GLU A 49 64.018 33.543 28.615 1.00 1.00 C ATOM 775 CG GLU A 49 62.700 32.994 28.048 1.00 1.00 C ATOM 776 CD GLU A 49 61.621 32.653 29.066 1.00 1.00 C ATOM 777 OE1 GLU A 49 61.773 32.925 30.287 1.00 1.00 O ATOM 778 OE2 GLU A 49 60.582 32.093 28.622 1.00 1.00 O ATOM 0 H GLU A 49 65.125 31.576 27.717 1.00 1.00 H new ATOM 0 HA GLU A 49 64.729 34.159 26.665 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.358 32.902 29.429 1.00 1.00 H new ATOM 0 HB3 GLU A 49 63.847 34.533 29.039 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.294 33.728 27.352 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.923 32.096 27.471 1.00 1.00 H new ATOM 785 N ARG A 50 67.140 33.888 28.891 1.00 1.00 N ATOM 786 CA ARG A 50 68.287 34.581 29.405 1.00 1.00 C ATOM 787 C ARG A 50 69.438 34.755 28.467 1.00 1.00 C ATOM 788 O ARG A 50 70.062 35.814 28.413 1.00 1.00 O ATOM 789 CB ARG A 50 68.790 33.916 30.699 1.00 1.00 C ATOM 790 CG ARG A 50 67.905 34.341 31.874 1.00 1.00 C ATOM 791 CD ARG A 50 68.762 34.565 33.117 1.00 1.00 C ATOM 792 NE ARG A 50 67.836 34.999 34.202 1.00 1.00 N ATOM 793 CZ ARG A 50 68.028 36.069 35.015 1.00 1.00 C ATOM 794 NH1 ARG A 50 69.169 36.800 34.998 1.00 1.00 N ATOM 795 NH2 ARG A 50 67.048 36.425 35.883 1.00 1.00 N ATOM 0 H ARG A 50 67.035 32.941 29.255 1.00 1.00 H new ATOM 0 HA ARG A 50 67.912 35.588 29.588 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.774 32.831 30.592 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.825 34.202 30.888 1.00 1.00 H new ATOM 0 HG2 ARG A 50 67.367 35.255 31.623 1.00 1.00 H new ATOM 0 HG3 ARG A 50 67.156 33.574 32.072 1.00 1.00 H new ATOM 0 HD2 ARG A 50 69.285 33.650 33.397 1.00 1.00 H new ATOM 0 HD3 ARG A 50 69.523 35.323 32.931 1.00 1.00 H new ATOM 0 HE ARG A 50 66.990 34.447 34.345 1.00 1.00 H new ATOM 0 HH11 ARG A 50 69.923 36.553 34.358 1.00 1.00 H new ATOM 0 HH12 ARG A 50 69.273 37.597 35.626 1.00 1.00 H new ATOM 0 HH21 ARG A 50 66.180 35.891 35.919 1.00 1.00 H new ATOM 0 HH22 ARG A 50 67.179 37.227 36.500 1.00 1.00 H new ATOM 809 N GLN A 51 69.791 33.705 27.706 1.00 1.00 N ATOM 810 CA GLN A 51 71.037 33.648 26.999 1.00 1.00 C ATOM 811 C GLN A 51 70.839 33.689 25.514 1.00 1.00 C ATOM 812 O GLN A 51 71.777 33.547 24.731 1.00 1.00 O ATOM 813 CB GLN A 51 71.803 32.402 27.488 1.00 1.00 C ATOM 814 CG GLN A 51 72.411 32.478 28.898 1.00 1.00 C ATOM 815 CD GLN A 51 73.311 33.664 29.231 1.00 1.00 C ATOM 816 OE1 GLN A 51 73.223 34.201 30.335 1.00 1.00 O ATOM 817 NE2 GLN A 51 74.217 34.079 28.309 1.00 1.00 N ATOM 0 H GLN A 51 69.204 32.881 27.578 1.00 1.00 H new ATOM 0 HA GLN A 51 71.638 34.531 27.214 1.00 1.00 H new ATOM 0 HB2 GLN A 51 71.124 31.550 27.455 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.607 32.197 26.781 1.00 1.00 H new ATOM 0 HG2 GLN A 51 71.590 32.471 29.615 1.00 1.00 H new ATOM 0 HG3 GLN A 51 72.986 31.567 29.062 1.00 1.00 H new ATOM 0 HE21 GLN A 51 74.269 33.617 27.401 1.00 1.00 H new ATOM 0 HE22 GLN A 51 74.845 34.853 28.524 1.00 1.00 H new ATOM 826 N GLY A 52 69.603 33.980 25.064 1.00 1.00 N ATOM 827 CA GLY A 52 69.310 34.453 23.738 1.00 1.00 C ATOM 828 C GLY A 52 69.250 33.447 22.635 1.00 1.00 C ATOM 829 O GLY A 52 69.769 33.685 21.547 1.00 1.00 O ATOM 0 H GLY A 52 68.771 33.883 25.646 1.00 1.00 H new ATOM 0 HA2 GLY A 52 68.351 34.970 23.772 1.00 1.00 H new ATOM 0 HA3 GLY A 52 70.063 35.195 23.473 1.00 1.00 H new ATOM 833 N LEU A 53 68.614 32.283 22.862 1.00 1.00 N ATOM 834 CA LEU A 53 68.688 31.143 21.992 1.00 1.00 C ATOM 835 C LEU A 53 67.319 30.728 21.552 1.00 1.00 C ATOM 836 O LEU A 53 66.325 31.123 22.159 1.00 1.00 O ATOM 837 CB LEU A 53 69.365 29.966 22.720 1.00 1.00 C ATOM 838 CG LEU A 53 70.674 30.329 23.445 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.160 29.166 24.322 1.00 1.00 C ATOM 840 CD2 LEU A 53 71.799 30.752 22.488 1.00 1.00 C ATOM 0 H LEU A 53 68.026 32.127 23.681 1.00 1.00 H new ATOM 0 HA LEU A 53 69.276 31.419 21.117 1.00 1.00 H new ATOM 0 HB2 LEU A 53 68.665 29.554 23.447 1.00 1.00 H new ATOM 0 HB3 LEU A 53 69.573 29.179 21.995 1.00 1.00 H new ATOM 0 HG LEU A 53 70.436 31.189 24.071 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.086 29.450 24.822 1.00 1.00 H new ATOM 0 HD12 LEU A 53 70.401 28.932 25.069 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.338 28.290 23.698 1.00 1.00 H new ATOM 0 HD21 LEU A 53 72.693 30.994 23.062 1.00 1.00 H new ATOM 0 HD22 LEU A 53 72.019 29.935 21.801 1.00 1.00 H new ATOM 0 HD23 LEU A 53 71.484 31.628 21.920 1.00 1.00 H new ATOM 852 N SER A 54 67.181 29.936 20.471 1.00 1.00 N ATOM 853 CA SER A 54 65.910 29.451 20.009 1.00 1.00 C ATOM 854 C SER A 54 65.702 28.023 20.406 1.00 1.00 C ATOM 855 O SER A 54 66.566 27.167 20.219 1.00 1.00 O ATOM 856 CB SER A 54 65.766 29.542 18.478 1.00 1.00 C ATOM 857 OG SER A 54 65.667 30.883 18.014 1.00 1.00 O ATOM 0 H SER A 54 67.969 29.624 19.904 1.00 1.00 H new ATOM 0 HA SER A 54 65.161 30.091 20.476 1.00 1.00 H new ATOM 0 HB2 SER A 54 66.624 29.062 18.007 1.00 1.00 H new ATOM 0 HB3 SER A 54 64.880 28.988 18.167 1.00 1.00 H new ATOM 0 HG SER A 54 65.579 30.886 17.038 1.00 1.00 H new ATOM 863 N MET A 55 64.518 27.685 20.950 1.00 1.00 N ATOM 864 CA MET A 55 64.206 26.454 21.622 1.00 1.00 C ATOM 865 C MET A 55 64.384 25.194 20.833 1.00 1.00 C ATOM 866 O MET A 55 64.859 24.171 21.325 1.00 1.00 O ATOM 867 CB MET A 55 62.741 26.546 22.092 1.00 1.00 C ATOM 868 CG MET A 55 62.286 25.487 23.101 1.00 1.00 C ATOM 869 SD MET A 55 62.900 25.783 24.786 1.00 1.00 S ATOM 870 CE MET A 55 61.841 24.535 25.574 1.00 1.00 C ATOM 0 H MET A 55 63.719 28.318 20.919 1.00 1.00 H new ATOM 0 HA MET A 55 64.929 26.366 22.433 1.00 1.00 H new ATOM 0 HB2 MET A 55 62.584 27.530 22.534 1.00 1.00 H new ATOM 0 HB3 MET A 55 62.096 26.484 21.216 1.00 1.00 H new ATOM 0 HG2 MET A 55 61.197 25.458 23.119 1.00 1.00 H new ATOM 0 HG3 MET A 55 62.625 24.507 22.766 1.00 1.00 H new ATOM 0 HE1 MET A 55 62.034 24.519 26.647 1.00 1.00 H new ATOM 0 HE2 MET A 55 60.794 24.782 25.397 1.00 1.00 H new ATOM 0 HE3 MET A 55 62.059 23.554 25.152 1.00 1.00 H new ATOM 880 N ARG A 56 64.020 25.225 19.540 1.00 1.00 N ATOM 881 CA ARG A 56 64.064 24.091 18.663 1.00 1.00 C ATOM 882 C ARG A 56 65.355 23.997 17.908 1.00 1.00 C ATOM 883 O ARG A 56 65.563 23.066 17.130 1.00 1.00 O ATOM 884 CB ARG A 56 62.859 24.151 17.700 1.00 1.00 C ATOM 885 CG ARG A 56 62.641 25.502 17.007 1.00 1.00 C ATOM 886 CD ARG A 56 61.326 25.616 16.228 1.00 1.00 C ATOM 887 NE ARG A 56 61.449 24.832 14.968 1.00 1.00 N ATOM 888 CZ ARG A 56 60.422 24.599 14.111 1.00 1.00 C ATOM 889 NH1 ARG A 56 59.159 25.041 14.325 1.00 1.00 N ATOM 890 NH2 ARG A 56 60.694 23.901 12.982 1.00 1.00 N ATOM 0 H ARG A 56 63.681 26.072 19.084 1.00 1.00 H new ATOM 0 HA ARG A 56 64.005 23.188 19.271 1.00 1.00 H new ATOM 0 HB2 ARG A 56 62.988 23.385 16.935 1.00 1.00 H new ATOM 0 HB3 ARG A 56 61.957 23.897 18.257 1.00 1.00 H new ATOM 0 HG2 ARG A 56 62.672 26.290 17.759 1.00 1.00 H new ATOM 0 HG3 ARG A 56 63.470 25.682 16.323 1.00 1.00 H new ATOM 0 HD2 ARG A 56 60.497 25.240 16.828 1.00 1.00 H new ATOM 0 HD3 ARG A 56 61.109 26.660 16.004 1.00 1.00 H new ATOM 0 HE ARG A 56 62.363 24.445 14.734 1.00 1.00 H new ATOM 0 HH11 ARG A 56 58.942 25.578 15.164 1.00 1.00 H new ATOM 0 HH12 ARG A 56 58.425 24.837 13.647 1.00 1.00 H new ATOM 0 HH21 ARG A 56 61.642 23.572 12.802 1.00 1.00 H new ATOM 0 HH22 ARG A 56 59.950 23.705 12.312 1.00 1.00 H new ATOM 904 N GLN A 57 66.300 24.925 18.147 1.00 1.00 N ATOM 905 CA GLN A 57 67.575 24.975 17.489 1.00 1.00 C ATOM 906 C GLN A 57 68.677 24.401 18.325 1.00 1.00 C ATOM 907 O GLN A 57 69.696 23.948 17.804 1.00 1.00 O ATOM 908 CB GLN A 57 67.910 26.449 17.188 1.00 1.00 C ATOM 909 CG GLN A 57 66.970 27.120 16.178 1.00 1.00 C ATOM 910 CD GLN A 57 66.936 26.446 14.812 1.00 1.00 C ATOM 911 OE1 GLN A 57 67.923 25.928 14.290 1.00 1.00 O ATOM 912 NE2 GLN A 57 65.738 26.475 14.174 1.00 1.00 N ATOM 0 H GLN A 57 66.172 25.674 18.828 1.00 1.00 H new ATOM 0 HA GLN A 57 67.503 24.379 16.579 1.00 1.00 H new ATOM 0 HB2 GLN A 57 67.883 27.013 18.121 1.00 1.00 H new ATOM 0 HB3 GLN A 57 68.931 26.507 16.810 1.00 1.00 H new ATOM 0 HG2 GLN A 57 65.961 27.132 16.590 1.00 1.00 H new ATOM 0 HG3 GLN A 57 67.274 28.159 16.050 1.00 1.00 H new ATOM 0 HE21 GLN A 57 64.931 26.909 14.623 1.00 1.00 H new ATOM 0 HE22 GLN A 57 65.644 26.063 13.246 1.00 1.00 H new ATOM 921 N ILE A 58 68.484 24.344 19.656 1.00 1.00 N ATOM 922 CA ILE A 58 69.413 23.762 20.583 1.00 1.00 C ATOM 923 C ILE A 58 68.800 22.535 21.179 1.00 1.00 C ATOM 924 O ILE A 58 67.582 22.430 21.298 1.00 1.00 O ATOM 925 CB ILE A 58 69.830 24.703 21.684 1.00 1.00 C ATOM 926 CG1 ILE A 58 68.635 25.279 22.470 1.00 1.00 C ATOM 927 CG2 ILE A 58 70.692 25.816 21.056 1.00 1.00 C ATOM 928 CD1 ILE A 58 69.048 26.015 23.745 1.00 1.00 C ATOM 0 H ILE A 58 67.649 24.717 20.107 1.00 1.00 H new ATOM 0 HA ILE A 58 70.316 23.520 20.023 1.00 1.00 H new ATOM 0 HB ILE A 58 70.409 24.149 22.423 1.00 1.00 H new ATOM 0 HG12 ILE A 58 68.082 25.963 21.827 1.00 1.00 H new ATOM 0 HG13 ILE A 58 67.956 24.468 22.731 1.00 1.00 H new ATOM 0 HG21 ILE A 58 71.008 26.513 21.832 1.00 1.00 H new ATOM 0 HG22 ILE A 58 71.570 25.374 20.585 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.108 26.349 20.306 1.00 1.00 H new ATOM 0 HD11 ILE A 58 68.160 26.395 24.250 1.00 1.00 H new ATOM 0 HD12 ILE A 58 69.576 25.328 24.407 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.704 26.847 23.489 1.00 1.00 H new ATOM 940 N ARG A 59 69.618 21.533 21.549 1.00 1.00 N ATOM 941 CA ARG A 59 69.164 20.329 22.185 1.00 1.00 C ATOM 942 C ARG A 59 70.114 19.967 23.283 1.00 1.00 C ATOM 943 O ARG A 59 71.278 20.362 23.266 1.00 1.00 O ATOM 944 CB ARG A 59 69.085 19.156 21.188 1.00 1.00 C ATOM 945 CG ARG A 59 67.997 19.277 20.114 1.00 1.00 C ATOM 946 CD ARG A 59 66.574 18.989 20.603 1.00 1.00 C ATOM 947 NE ARG A 59 66.009 20.229 21.207 1.00 1.00 N ATOM 948 CZ ARG A 59 64.813 20.292 21.843 1.00 1.00 C ATOM 949 NH1 ARG A 59 64.117 19.191 22.218 1.00 1.00 N ATOM 950 NH2 ARG A 59 64.268 21.495 22.151 1.00 1.00 N ATOM 0 H ARG A 59 70.627 21.559 21.402 1.00 1.00 H new ATOM 0 HA ARG A 59 68.165 20.511 22.580 1.00 1.00 H new ATOM 0 HB2 ARG A 59 70.051 19.057 20.693 1.00 1.00 H new ATOM 0 HB3 ARG A 59 68.918 18.236 21.748 1.00 1.00 H new ATOM 0 HG2 ARG A 59 68.026 20.285 19.700 1.00 1.00 H new ATOM 0 HG3 ARG A 59 68.232 18.591 19.300 1.00 1.00 H new ATOM 0 HD2 ARG A 59 65.951 18.657 19.773 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.584 18.183 21.337 1.00 1.00 H new ATOM 0 HE ARG A 59 66.558 21.086 21.137 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.490 18.262 22.024 1.00 1.00 H new ATOM 0 HH12 ARG A 59 63.221 19.292 22.694 1.00 1.00 H new ATOM 0 HH21 ARG A 59 64.758 22.355 21.904 1.00 1.00 H new ATOM 0 HH22 ARG A 59 63.368 21.540 22.629 1.00 1.00 H new ATOM 964 N PHE A 60 69.651 19.221 24.304 1.00 1.00 N ATOM 965 CA PHE A 60 70.431 18.935 25.473 1.00 1.00 C ATOM 966 C PHE A 60 70.720 17.470 25.568 1.00 1.00 C ATOM 967 O PHE A 60 69.925 16.621 25.168 1.00 1.00 O ATOM 968 CB PHE A 60 69.720 19.352 26.777 1.00 1.00 C ATOM 969 CG PHE A 60 69.584 20.818 27.037 1.00 1.00 C ATOM 970 CD1 PHE A 60 70.210 21.818 26.311 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.810 21.180 28.125 1.00 1.00 C ATOM 972 CE1 PHE A 60 70.036 23.150 26.643 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.642 22.505 28.477 1.00 1.00 C ATOM 974 CZ PHE A 60 69.256 23.495 27.731 1.00 1.00 C ATOM 0 H PHE A 60 68.718 18.808 24.319 1.00 1.00 H new ATOM 0 HA PHE A 60 71.350 19.512 25.367 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.722 18.915 26.773 1.00 1.00 H new ATOM 0 HB3 PHE A 60 70.259 18.908 27.614 1.00 1.00 H new ATOM 0 HD1 PHE A 60 70.842 21.555 25.475 1.00 1.00 H new ATOM 0 HD2 PHE A 60 68.328 20.411 28.711 1.00 1.00 H new ATOM 0 HE1 PHE A 60 70.510 23.920 26.052 1.00 1.00 H new ATOM 0 HE2 PHE A 60 68.034 22.767 29.330 1.00 1.00 H new ATOM 0 HZ PHE A 60 69.126 24.534 27.998 1.00 1.00 H new ATOM 984 N ARG A 61 71.896 17.119 26.120 1.00 1.00 N ATOM 985 CA ARG A 61 72.326 15.763 26.293 1.00 1.00 C ATOM 986 C ARG A 61 72.812 15.530 27.688 1.00 1.00 C ATOM 987 O ARG A 61 73.177 16.459 28.407 1.00 1.00 O ATOM 988 CB ARG A 61 73.506 15.398 25.371 1.00 1.00 C ATOM 989 CG ARG A 61 73.268 15.700 23.887 1.00 1.00 C ATOM 990 CD ARG A 61 74.312 15.086 22.951 1.00 1.00 C ATOM 991 NE ARG A 61 75.656 15.574 23.375 1.00 1.00 N ATOM 992 CZ ARG A 61 76.809 15.262 22.727 1.00 1.00 C ATOM 993 NH1 ARG A 61 76.848 14.358 21.719 1.00 1.00 N ATOM 994 NH2 ARG A 61 77.942 15.887 23.126 1.00 1.00 N ATOM 0 H ARG A 61 72.573 17.803 26.458 1.00 1.00 H new ATOM 0 HA ARG A 61 71.454 15.153 26.057 1.00 1.00 H new ATOM 0 HB2 ARG A 61 74.391 15.941 25.702 1.00 1.00 H new ATOM 0 HB3 ARG A 61 73.723 14.336 25.483 1.00 1.00 H new ATOM 0 HG2 ARG A 61 72.281 15.332 23.606 1.00 1.00 H new ATOM 0 HG3 ARG A 61 73.258 16.781 23.744 1.00 1.00 H new ATOM 0 HD2 ARG A 61 74.270 13.998 22.996 1.00 1.00 H new ATOM 0 HD3 ARG A 61 74.112 15.371 21.918 1.00 1.00 H new ATOM 0 HE ARG A 61 75.713 16.175 24.197 1.00 1.00 H new ATOM 0 HH11 ARG A 61 75.993 13.886 21.424 1.00 1.00 H new ATOM 0 HH12 ARG A 61 77.732 14.149 21.255 1.00 1.00 H new ATOM 0 HH21 ARG A 61 77.909 16.565 23.888 1.00 1.00 H new ATOM 0 HH22 ARG A 61 78.828 15.680 22.665 1.00 1.00 H new ATOM 1008 N PHE A 62 72.868 14.248 28.093 1.00 1.00 N ATOM 1009 CA PHE A 62 73.595 13.831 29.257 1.00 1.00 C ATOM 1010 C PHE A 62 74.448 12.645 28.930 1.00 1.00 C ATOM 1011 O PHE A 62 73.945 11.576 28.588 1.00 1.00 O ATOM 1012 CB PHE A 62 72.646 13.520 30.428 1.00 1.00 C ATOM 1013 CG PHE A 62 73.387 13.400 31.720 1.00 1.00 C ATOM 1014 CD1 PHE A 62 74.018 14.504 32.267 1.00 1.00 C ATOM 1015 CD2 PHE A 62 73.457 12.187 32.383 1.00 1.00 C ATOM 1016 CE1 PHE A 62 74.729 14.395 33.447 1.00 1.00 C ATOM 1017 CE2 PHE A 62 74.150 12.076 33.575 1.00 1.00 C ATOM 1018 CZ PHE A 62 74.800 13.178 34.101 1.00 1.00 C ATOM 0 H PHE A 62 72.400 13.485 27.604 1.00 1.00 H new ATOM 0 HA PHE A 62 74.241 14.651 29.571 1.00 1.00 H new ATOM 0 HB2 PHE A 62 71.897 14.308 30.509 1.00 1.00 H new ATOM 0 HB3 PHE A 62 72.111 12.592 30.227 1.00 1.00 H new ATOM 0 HD1 PHE A 62 73.954 15.459 31.767 1.00 1.00 H new ATOM 0 HD2 PHE A 62 72.966 11.320 31.966 1.00 1.00 H new ATOM 0 HE1 PHE A 62 75.229 15.259 33.858 1.00 1.00 H new ATOM 0 HE2 PHE A 62 74.184 11.130 34.095 1.00 1.00 H new ATOM 0 HZ PHE A 62 75.361 13.089 35.019 1.00 1.00 H new ATOM 1028 N ASP A 63 75.784 12.798 28.987 1.00 1.00 N ATOM 1029 CA ASP A 63 76.786 11.820 28.671 1.00 1.00 C ATOM 1030 C ASP A 63 76.639 11.212 27.307 1.00 1.00 C ATOM 1031 O ASP A 63 76.778 10.009 27.091 1.00 1.00 O ATOM 1032 CB ASP A 63 76.951 10.813 29.829 1.00 1.00 C ATOM 1033 CG ASP A 63 78.342 10.206 29.901 1.00 1.00 C ATOM 1034 OD1 ASP A 63 79.346 10.947 29.723 1.00 1.00 O ATOM 1035 OD2 ASP A 63 78.460 8.984 30.186 1.00 1.00 O ATOM 0 H ASP A 63 76.199 13.682 29.279 1.00 1.00 H new ATOM 0 HA ASP A 63 77.740 12.341 28.586 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.731 11.314 30.772 1.00 1.00 H new ATOM 0 HB3 ASP A 63 76.218 10.014 29.714 1.00 1.00 H new ATOM 1040 N GLY A 64 76.332 12.062 26.310 1.00 1.00 N ATOM 1041 CA GLY A 64 76.068 11.677 24.952 1.00 1.00 C ATOM 1042 C GLY A 64 74.703 11.127 24.686 1.00 1.00 C ATOM 1043 O GLY A 64 74.387 10.780 23.549 1.00 1.00 O ATOM 0 H GLY A 64 76.264 13.069 26.456 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.220 12.546 24.312 1.00 1.00 H new ATOM 0 HA3 GLY A 64 76.804 10.930 24.656 1.00 1.00 H new ATOM 1047 N GLN A 65 73.817 11.039 25.694 1.00 1.00 N ATOM 1048 CA GLN A 65 72.505 10.478 25.550 1.00 1.00 C ATOM 1049 C GLN A 65 71.502 11.581 25.404 1.00 1.00 C ATOM 1050 O GLN A 65 71.620 12.567 26.130 1.00 1.00 O ATOM 1051 CB GLN A 65 72.112 9.652 26.790 1.00 1.00 C ATOM 1052 CG GLN A 65 73.101 8.525 27.118 1.00 1.00 C ATOM 1053 CD GLN A 65 72.831 7.962 28.507 1.00 1.00 C ATOM 1054 OE1 GLN A 65 72.314 6.857 28.670 1.00 1.00 O ATOM 1055 NE2 GLN A 65 73.190 8.766 29.543 1.00 1.00 N ATOM 0 H GLN A 65 74.017 11.367 26.639 1.00 1.00 H new ATOM 0 HA GLN A 65 72.516 9.834 24.671 1.00 1.00 H new ATOM 0 HB2 GLN A 65 72.035 10.318 27.650 1.00 1.00 H new ATOM 0 HB3 GLN A 65 71.123 9.221 26.631 1.00 1.00 H new ATOM 0 HG2 GLN A 65 73.016 7.732 26.375 1.00 1.00 H new ATOM 0 HG3 GLN A 65 74.122 8.903 27.065 1.00 1.00 H new ATOM 0 HE21 GLN A 65 73.616 9.675 29.360 1.00 1.00 H new ATOM 0 HE22 GLN A 65 73.034 8.461 30.504 1.00 1.00 H new ATOM 1064 N PRO A 66 70.521 11.538 24.542 1.00 1.00 N ATOM 1065 CA PRO A 66 69.535 12.584 24.457 1.00 1.00 C ATOM 1066 C PRO A 66 68.568 12.542 25.600 1.00 1.00 C ATOM 1067 O PRO A 66 68.102 11.468 25.981 1.00 1.00 O ATOM 1068 CB PRO A 66 68.841 12.331 23.117 1.00 1.00 C ATOM 1069 CG PRO A 66 68.989 10.822 22.879 1.00 1.00 C ATOM 1070 CD PRO A 66 70.348 10.512 23.521 1.00 1.00 C ATOM 0 HA PRO A 66 69.982 13.576 24.515 1.00 1.00 H new ATOM 0 HB2 PRO A 66 67.792 12.625 23.153 1.00 1.00 H new ATOM 0 HB3 PRO A 66 69.306 12.906 22.316 1.00 1.00 H new ATOM 0 HG2 PRO A 66 68.182 10.257 23.346 1.00 1.00 H new ATOM 0 HG3 PRO A 66 68.977 10.576 21.817 1.00 1.00 H new ATOM 0 HD2 PRO A 66 70.360 9.513 23.958 1.00 1.00 H new ATOM 0 HD3 PRO A 66 71.151 10.548 22.784 1.00 1.00 H new ATOM 1078 N ILE A 67 68.235 13.719 26.158 1.00 1.00 N ATOM 1079 CA ILE A 67 67.298 13.913 27.229 1.00 1.00 C ATOM 1080 C ILE A 67 66.210 14.778 26.674 1.00 1.00 C ATOM 1081 O ILE A 67 66.470 15.669 25.864 1.00 1.00 O ATOM 1082 CB ILE A 67 67.923 14.531 28.455 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.702 15.822 28.135 1.00 1.00 C ATOM 1084 CG2 ILE A 67 68.834 13.493 29.138 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.341 16.507 29.344 1.00 1.00 C ATOM 0 H ILE A 67 68.647 14.597 25.841 1.00 1.00 H new ATOM 0 HA ILE A 67 66.915 12.952 27.572 1.00 1.00 H new ATOM 0 HB ILE A 67 67.121 14.820 29.134 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.485 15.587 27.414 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.025 16.527 27.653 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.288 13.935 30.025 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.243 12.625 29.428 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.617 13.184 28.445 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.866 17.405 29.018 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.565 16.780 30.060 1.00 1.00 H new ATOM 0 HD13 ILE A 67 70.048 15.825 29.817 1.00 1.00 H new ATOM 1097 N ASN A 68 64.933 14.525 27.014 1.00 1.00 N ATOM 1098 CA ASN A 68 63.833 15.116 26.305 1.00 1.00 C ATOM 1099 C ASN A 68 63.205 16.182 27.146 1.00 1.00 C ATOM 1100 O ASN A 68 63.378 16.202 28.362 1.00 1.00 O ATOM 1101 CB ASN A 68 62.763 14.062 25.961 1.00 1.00 C ATOM 1102 CG ASN A 68 63.362 12.926 25.144 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.438 12.981 23.917 1.00 1.00 O ATOM 1104 ND2 ASN A 68 63.816 11.851 25.837 1.00 1.00 N ATOM 0 H ASN A 68 64.659 13.911 27.781 1.00 1.00 H new ATOM 0 HA ASN A 68 64.220 15.542 25.379 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.329 13.666 26.879 1.00 1.00 H new ATOM 0 HB3 ASN A 68 61.953 14.530 25.402 1.00 1.00 H new ATOM 0 HD21 ASN A 68 64.232 11.063 25.341 1.00 1.00 H new ATOM 0 HD22 ASN A 68 63.741 11.831 26.854 1.00 1.00 H new ATOM 1111 N GLU A 69 62.418 17.113 26.575 1.00 1.00 N ATOM 1112 CA GLU A 69 61.810 18.191 27.304 1.00 1.00 C ATOM 1113 C GLU A 69 60.923 17.783 28.439 1.00 1.00 C ATOM 1114 O GLU A 69 60.909 18.429 29.486 1.00 1.00 O ATOM 1115 CB GLU A 69 61.045 19.099 26.322 1.00 1.00 C ATOM 1116 CG GLU A 69 61.975 20.143 25.693 1.00 1.00 C ATOM 1117 CD GLU A 69 61.370 20.779 24.451 1.00 1.00 C ATOM 1118 OE1 GLU A 69 60.287 21.414 24.549 1.00 1.00 O ATOM 1119 OE2 GLU A 69 61.974 20.646 23.353 1.00 1.00 O ATOM 0 H GLU A 69 62.197 17.119 25.579 1.00 1.00 H new ATOM 0 HA GLU A 69 62.631 18.726 27.781 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.593 18.492 25.538 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.231 19.601 26.845 1.00 1.00 H new ATOM 0 HG2 GLU A 69 62.195 20.919 26.426 1.00 1.00 H new ATOM 0 HG3 GLU A 69 62.923 19.672 25.433 1.00 1.00 H new ATOM 1126 N THR A 70 60.196 16.658 28.299 1.00 1.00 N ATOM 1127 CA THR A 70 59.360 16.102 29.326 1.00 1.00 C ATOM 1128 C THR A 70 60.130 15.348 30.369 1.00 1.00 C ATOM 1129 O THR A 70 59.606 15.024 31.434 1.00 1.00 O ATOM 1130 CB THR A 70 58.299 15.198 28.755 1.00 1.00 C ATOM 1131 OG1 THR A 70 57.671 15.800 27.633 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.154 14.923 29.745 1.00 1.00 C ATOM 0 H THR A 70 60.189 16.113 27.437 1.00 1.00 H new ATOM 0 HA THR A 70 58.890 16.961 29.805 1.00 1.00 H new ATOM 0 HB THR A 70 58.824 14.277 28.502 1.00 1.00 H new ATOM 0 HG1 THR A 70 56.987 15.195 27.277 1.00 1.00 H new ATOM 0 HG21 THR A 70 56.420 14.266 29.279 1.00 1.00 H new ATOM 0 HG22 THR A 70 57.553 14.444 30.639 1.00 1.00 H new ATOM 0 HG23 THR A 70 56.677 15.864 30.020 1.00 1.00 H new ATOM 1140 N ASP A 71 61.421 15.035 30.143 1.00 1.00 N ATOM 1141 CA ASP A 71 62.270 14.363 31.082 1.00 1.00 C ATOM 1142 C ASP A 71 62.684 15.271 32.203 1.00 1.00 C ATOM 1143 O ASP A 71 62.412 16.472 32.204 1.00 1.00 O ATOM 1144 CB ASP A 71 63.466 13.716 30.363 1.00 1.00 C ATOM 1145 CG ASP A 71 63.074 12.645 29.358 1.00 1.00 C ATOM 1146 OD1 ASP A 71 61.929 12.119 29.347 1.00 1.00 O ATOM 1147 OD2 ASP A 71 63.975 12.274 28.560 1.00 1.00 O ATOM 0 H ASP A 71 61.894 15.260 29.268 1.00 1.00 H new ATOM 0 HA ASP A 71 61.701 13.557 31.546 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.032 14.493 29.849 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.130 13.277 31.107 1.00 1.00 H new ATOM 1152 N THR A 72 63.321 14.744 33.265 1.00 1.00 N ATOM 1153 CA THR A 72 63.249 15.372 34.560 1.00 1.00 C ATOM 1154 C THR A 72 64.497 15.179 35.368 1.00 1.00 C ATOM 1155 O THR A 72 65.272 14.267 35.082 1.00 1.00 O ATOM 1156 CB THR A 72 62.088 14.944 35.428 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.148 13.576 35.803 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.734 15.140 34.727 1.00 1.00 C ATOM 0 H THR A 72 63.882 13.892 33.234 1.00 1.00 H new ATOM 0 HA THR A 72 63.108 16.420 34.295 1.00 1.00 H new ATOM 0 HB THR A 72 62.169 15.580 36.309 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.303 13.315 36.225 1.00 1.00 H new ATOM 0 HG21 THR A 72 59.931 14.818 35.390 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.601 16.193 34.480 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.709 14.547 33.813 1.00 1.00 H new ATOM 1166 N PRO A 73 64.737 15.954 36.397 1.00 1.00 N ATOM 1167 CA PRO A 73 65.693 15.658 37.433 1.00 1.00 C ATOM 1168 C PRO A 73 65.521 14.344 38.122 1.00 1.00 C ATOM 1169 O PRO A 73 66.530 13.731 38.464 1.00 1.00 O ATOM 1170 CB PRO A 73 65.569 16.809 38.432 1.00 1.00 C ATOM 1171 CG PRO A 73 65.151 17.997 37.556 1.00 1.00 C ATOM 1172 CD PRO A 73 64.231 17.314 36.537 1.00 1.00 C ATOM 0 HA PRO A 73 66.680 15.568 36.979 1.00 1.00 H new ATOM 0 HB2 PRO A 73 64.826 16.596 39.201 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.512 17.000 38.944 1.00 1.00 H new ATOM 0 HG2 PRO A 73 64.631 18.766 38.128 1.00 1.00 H new ATOM 0 HG3 PRO A 73 66.006 18.477 37.080 1.00 1.00 H new ATOM 0 HD2 PRO A 73 63.197 17.313 36.882 1.00 1.00 H new ATOM 0 HD3 PRO A 73 64.248 17.838 35.581 1.00 1.00 H new ATOM 1180 N ALA A 74 64.282 13.875 38.357 1.00 1.00 N ATOM 1181 CA ALA A 74 64.018 12.576 38.905 1.00 1.00 C ATOM 1182 C ALA A 74 64.470 11.453 38.029 1.00 1.00 C ATOM 1183 O ALA A 74 65.104 10.494 38.467 1.00 1.00 O ATOM 1184 CB ALA A 74 62.500 12.409 39.085 1.00 1.00 C ATOM 0 H ALA A 74 63.438 14.413 38.161 1.00 1.00 H new ATOM 0 HA ALA A 74 64.570 12.526 39.844 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.289 11.424 39.501 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.127 13.177 39.763 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.006 12.508 38.118 1.00 1.00 H new ATOM 1190 N GLN A 75 64.160 11.558 36.723 1.00 1.00 N ATOM 1191 CA GLN A 75 64.489 10.584 35.726 1.00 1.00 C ATOM 1192 C GLN A 75 65.961 10.490 35.477 1.00 1.00 C ATOM 1193 O GLN A 75 66.525 9.398 35.429 1.00 1.00 O ATOM 1194 CB GLN A 75 63.767 10.928 34.409 1.00 1.00 C ATOM 1195 CG GLN A 75 62.276 10.565 34.361 1.00 1.00 C ATOM 1196 CD GLN A 75 61.634 10.985 33.043 1.00 1.00 C ATOM 1197 OE1 GLN A 75 60.642 11.713 32.992 1.00 1.00 O ATOM 1198 NE2 GLN A 75 62.222 10.525 31.907 1.00 1.00 N ATOM 0 H GLN A 75 63.656 12.360 36.344 1.00 1.00 H new ATOM 0 HA GLN A 75 64.160 9.615 36.101 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.869 11.998 34.227 1.00 1.00 H new ATOM 0 HB3 GLN A 75 64.275 10.416 33.592 1.00 1.00 H new ATOM 0 HG2 GLN A 75 62.159 9.490 34.496 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.757 11.049 35.189 1.00 1.00 H new ATOM 0 HE21 GLN A 75 63.043 9.923 31.966 1.00 1.00 H new ATOM 0 HE22 GLN A 75 61.842 10.782 30.996 1.00 1.00 H new ATOM 1207 N LEU A 76 66.666 11.630 35.350 1.00 1.00 N ATOM 1208 CA LEU A 76 68.065 11.608 35.031 1.00 1.00 C ATOM 1209 C LEU A 76 68.945 11.574 36.243 1.00 1.00 C ATOM 1210 O LEU A 76 70.147 11.321 36.160 1.00 1.00 O ATOM 1211 CB LEU A 76 68.339 12.883 34.214 1.00 1.00 C ATOM 1212 CG LEU A 76 69.680 12.914 33.463 1.00 1.00 C ATOM 1213 CD1 LEU A 76 69.706 11.866 32.338 1.00 1.00 C ATOM 1214 CD2 LEU A 76 69.930 14.330 32.920 1.00 1.00 C ATOM 0 H LEU A 76 66.272 12.563 35.467 1.00 1.00 H new ATOM 0 HA LEU A 76 68.297 10.699 34.477 1.00 1.00 H new ATOM 0 HB2 LEU A 76 67.534 13.009 33.490 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.300 13.740 34.887 1.00 1.00 H new ATOM 0 HG LEU A 76 70.483 12.659 34.154 1.00 1.00 H new ATOM 0 HD11 LEU A 76 70.666 11.909 31.823 1.00 1.00 H new ATOM 0 HD12 LEU A 76 69.567 10.872 32.763 1.00 1.00 H new ATOM 0 HD13 LEU A 76 68.904 12.073 31.629 1.00 1.00 H new ATOM 0 HD21 LEU A 76 70.881 14.353 32.387 1.00 1.00 H new ATOM 0 HD22 LEU A 76 69.125 14.606 32.238 1.00 1.00 H new ATOM 0 HD23 LEU A 76 69.961 15.037 33.749 1.00 1.00 H new ATOM 1226 N GLU A 77 68.333 11.747 37.429 1.00 1.00 N ATOM 1227 CA GLU A 77 68.897 11.672 38.746 1.00 1.00 C ATOM 1228 C GLU A 77 69.838 12.787 39.088 1.00 1.00 C ATOM 1229 O GLU A 77 70.825 12.591 39.800 1.00 1.00 O ATOM 1230 CB GLU A 77 69.492 10.281 39.048 1.00 1.00 C ATOM 1231 CG GLU A 77 68.527 9.119 38.774 1.00 1.00 C ATOM 1232 CD GLU A 77 69.231 7.772 38.829 1.00 1.00 C ATOM 1233 OE1 GLU A 77 69.647 7.339 39.937 1.00 1.00 O ATOM 1234 OE2 GLU A 77 69.403 7.137 37.755 1.00 1.00 O ATOM 0 H GLU A 77 67.337 11.962 37.468 1.00 1.00 H new ATOM 0 HA GLU A 77 68.052 11.815 39.419 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.391 10.143 38.447 1.00 1.00 H new ATOM 0 HB3 GLU A 77 69.799 10.247 40.093 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.720 9.137 39.506 1.00 1.00 H new ATOM 0 HG3 GLU A 77 68.070 9.250 37.793 1.00 1.00 H new ATOM 1241 N MET A 78 69.532 14.018 38.637 1.00 1.00 N ATOM 1242 CA MET A 78 70.260 15.240 38.823 1.00 1.00 C ATOM 1243 C MET A 78 70.489 15.646 40.245 1.00 1.00 C ATOM 1244 O MET A 78 69.734 15.310 41.157 1.00 1.00 O ATOM 1245 CB MET A 78 69.561 16.407 38.098 1.00 1.00 C ATOM 1246 CG MET A 78 69.388 16.232 36.586 1.00 1.00 C ATOM 1247 SD MET A 78 68.471 17.632 35.876 1.00 1.00 S ATOM 1248 CE MET A 78 67.948 16.930 34.286 1.00 1.00 C ATOM 0 H MET A 78 68.688 14.172 38.086 1.00 1.00 H new ATOM 0 HA MET A 78 71.241 15.026 38.398 1.00 1.00 H new ATOM 0 HB2 MET A 78 68.577 16.553 38.545 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.131 17.318 38.278 1.00 1.00 H new ATOM 0 HG2 MET A 78 70.365 16.153 36.110 1.00 1.00 H new ATOM 0 HG3 MET A 78 68.857 15.302 36.381 1.00 1.00 H new ATOM 0 HE1 MET A 78 67.083 17.479 33.913 1.00 1.00 H new ATOM 0 HE2 MET A 78 68.764 17.008 33.568 1.00 1.00 H new ATOM 0 HE3 MET A 78 67.682 15.882 34.421 1.00 1.00 H new ATOM 1258 N GLU A 79 71.578 16.398 40.485 1.00 1.00 N ATOM 1259 CA GLU A 79 72.095 16.657 41.796 1.00 1.00 C ATOM 1260 C GLU A 79 72.187 18.132 42.018 1.00 1.00 C ATOM 1261 O GLU A 79 71.855 18.929 41.143 1.00 1.00 O ATOM 1262 CB GLU A 79 73.471 15.985 41.972 1.00 1.00 C ATOM 1263 CG GLU A 79 73.425 14.486 41.644 1.00 1.00 C ATOM 1264 CD GLU A 79 74.701 13.764 42.041 1.00 1.00 C ATOM 1265 OE1 GLU A 79 75.698 13.841 41.272 1.00 1.00 O ATOM 1266 OE2 GLU A 79 74.708 13.106 43.115 1.00 1.00 O ATOM 0 H GLU A 79 72.118 16.842 39.742 1.00 1.00 H new ATOM 0 HA GLU A 79 71.419 16.235 42.539 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.199 16.475 41.326 1.00 1.00 H new ATOM 0 HB3 GLU A 79 73.812 16.121 42.998 1.00 1.00 H new ATOM 0 HG2 GLU A 79 72.579 14.031 42.158 1.00 1.00 H new ATOM 0 HG3 GLU A 79 73.256 14.356 40.575 1.00 1.00 H new ATOM 1273 N ASP A 80 72.625 18.543 43.223 1.00 1.00 N ATOM 1274 CA ASP A 80 72.695 19.893 43.705 1.00 1.00 C ATOM 1275 C ASP A 80 73.444 20.882 42.867 1.00 1.00 C ATOM 1276 O ASP A 80 73.161 22.076 42.947 1.00 1.00 O ATOM 1277 CB ASP A 80 72.989 19.969 45.217 1.00 1.00 C ATOM 1278 CG ASP A 80 74.343 19.416 45.623 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.665 18.246 45.286 1.00 1.00 O ATOM 1280 OD2 ASP A 80 75.108 20.116 46.338 1.00 1.00 O ATOM 0 H ASP A 80 72.958 17.875 43.918 1.00 1.00 H new ATOM 0 HA ASP A 80 71.677 20.259 43.571 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.925 21.010 45.535 1.00 1.00 H new ATOM 0 HB3 ASP A 80 72.212 19.424 45.753 1.00 1.00 H new ATOM 1285 N GLU A 81 74.424 20.429 42.065 1.00 1.00 N ATOM 1286 CA GLU A 81 75.097 21.196 41.056 1.00 1.00 C ATOM 1287 C GLU A 81 75.261 20.393 39.799 1.00 1.00 C ATOM 1288 O GLU A 81 76.380 20.120 39.364 1.00 1.00 O ATOM 1289 CB GLU A 81 76.485 21.650 41.552 1.00 1.00 C ATOM 1290 CG GLU A 81 76.458 22.678 42.691 1.00 1.00 C ATOM 1291 CD GLU A 81 77.832 22.865 43.312 1.00 1.00 C ATOM 1292 OE1 GLU A 81 78.269 21.945 44.056 1.00 1.00 O ATOM 1293 OE2 GLU A 81 78.487 23.920 43.098 1.00 1.00 O ATOM 0 H GLU A 81 74.769 19.471 42.123 1.00 1.00 H new ATOM 0 HA GLU A 81 74.486 22.073 40.844 1.00 1.00 H new ATOM 0 HB2 GLU A 81 77.040 20.773 41.886 1.00 1.00 H new ATOM 0 HB3 GLU A 81 77.034 22.074 40.712 1.00 1.00 H new ATOM 0 HG2 GLU A 81 76.098 23.634 42.310 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.753 22.354 43.457 1.00 1.00 H new ATOM 1300 N ASP A 82 74.172 19.958 39.133 1.00 1.00 N ATOM 1301 CA ASP A 82 74.273 19.134 37.957 1.00 1.00 C ATOM 1302 C ASP A 82 74.796 19.828 36.733 1.00 1.00 C ATOM 1303 O ASP A 82 74.903 21.053 36.684 1.00 1.00 O ATOM 1304 CB ASP A 82 72.995 18.336 37.620 1.00 1.00 C ATOM 1305 CG ASP A 82 73.410 16.895 37.382 1.00 1.00 C ATOM 1306 OD1 ASP A 82 73.822 16.556 36.242 1.00 1.00 O ATOM 1307 OD2 ASP A 82 73.432 16.111 38.367 1.00 1.00 O ATOM 0 H ASP A 82 73.215 20.177 39.409 1.00 1.00 H new ATOM 0 HA ASP A 82 75.035 18.415 38.258 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.277 18.399 38.437 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.508 18.746 36.735 1.00 1.00 H new ATOM 1312 N THR A 83 75.173 19.056 35.696 1.00 1.00 N ATOM 1313 CA THR A 83 75.791 19.559 34.500 1.00 1.00 C ATOM 1314 C THR A 83 75.149 18.968 33.284 1.00 1.00 C ATOM 1315 O THR A 83 75.139 17.755 33.086 1.00 1.00 O ATOM 1316 CB THR A 83 77.274 19.309 34.398 1.00 1.00 C ATOM 1317 OG1 THR A 83 77.964 19.848 35.516 1.00 1.00 O ATOM 1318 CG2 THR A 83 77.877 20.009 33.168 1.00 1.00 C ATOM 0 H THR A 83 75.044 18.044 35.687 1.00 1.00 H new ATOM 0 HA THR A 83 75.643 20.637 34.557 1.00 1.00 H new ATOM 0 HB THR A 83 77.389 18.227 34.338 1.00 1.00 H new ATOM 0 HG1 THR A 83 78.923 19.670 35.425 1.00 1.00 H new ATOM 0 HG21 THR A 83 78.948 19.809 33.124 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.400 19.631 32.264 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.712 21.084 33.244 1.00 1.00 H new ATOM 1326 N ILE A 84 74.607 19.824 32.399 1.00 1.00 N ATOM 1327 CA ILE A 84 73.859 19.488 31.219 1.00 1.00 C ATOM 1328 C ILE A 84 74.575 20.014 30.011 1.00 1.00 C ATOM 1329 O ILE A 84 75.167 21.090 30.050 1.00 1.00 O ATOM 1330 CB ILE A 84 72.438 19.985 31.288 1.00 1.00 C ATOM 1331 CG1 ILE A 84 71.706 19.479 32.546 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.644 19.603 30.025 1.00 1.00 C ATOM 1333 CD1 ILE A 84 71.570 17.959 32.671 1.00 1.00 C ATOM 0 H ILE A 84 74.698 20.833 32.516 1.00 1.00 H new ATOM 0 HA ILE A 84 73.794 18.402 31.146 1.00 1.00 H new ATOM 0 HB ILE A 84 72.495 21.072 31.347 1.00 1.00 H new ATOM 0 HG12 ILE A 84 72.233 19.851 33.425 1.00 1.00 H new ATOM 0 HG13 ILE A 84 70.708 19.917 32.564 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.624 19.977 30.109 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.121 20.043 29.149 1.00 1.00 H new ATOM 0 HG23 ILE A 84 71.625 18.518 29.922 1.00 1.00 H new ATOM 0 HD11 ILE A 84 71.040 17.716 33.592 1.00 1.00 H new ATOM 0 HD12 ILE A 84 71.012 17.572 31.818 1.00 1.00 H new ATOM 0 HD13 ILE A 84 72.561 17.506 32.692 1.00 1.00 H new ATOM 1345 N ASP A 85 74.610 19.267 28.892 1.00 1.00 N ATOM 1346 CA ASP A 85 75.461 19.523 27.766 1.00 1.00 C ATOM 1347 C ASP A 85 74.625 19.966 26.606 1.00 1.00 C ATOM 1348 O ASP A 85 73.534 19.441 26.392 1.00 1.00 O ATOM 1349 CB ASP A 85 76.095 18.159 27.419 1.00 1.00 C ATOM 1350 CG ASP A 85 77.069 18.128 26.253 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.024 18.947 26.220 1.00 1.00 O ATOM 1352 OD2 ASP A 85 76.913 17.233 25.380 1.00 1.00 O ATOM 0 H ASP A 85 74.018 18.446 28.765 1.00 1.00 H new ATOM 0 HA ASP A 85 76.204 20.291 27.981 1.00 1.00 H new ATOM 0 HB2 ASP A 85 76.614 17.792 28.304 1.00 1.00 H new ATOM 0 HB3 ASP A 85 75.290 17.455 27.207 1.00 1.00 H new ATOM 1357 N VAL A 86 75.102 20.934 25.798 1.00 1.00 N ATOM 1358 CA VAL A 86 74.338 21.462 24.702 1.00 1.00 C ATOM 1359 C VAL A 86 74.920 20.996 23.407 1.00 1.00 C ATOM 1360 O VAL A 86 76.115 21.118 23.139 1.00 1.00 O ATOM 1361 CB VAL A 86 74.330 22.969 24.640 1.00 1.00 C ATOM 1362 CG1 VAL A 86 73.397 23.490 23.531 1.00 1.00 C ATOM 1363 CG2 VAL A 86 73.855 23.535 25.987 1.00 1.00 C ATOM 0 H VAL A 86 76.025 21.355 25.904 1.00 1.00 H new ATOM 0 HA VAL A 86 73.320 21.107 24.863 1.00 1.00 H new ATOM 0 HB VAL A 86 75.346 23.296 24.419 1.00 1.00 H new ATOM 0 HG11 VAL A 86 73.419 24.580 23.519 1.00 1.00 H new ATOM 0 HG12 VAL A 86 73.731 23.110 22.566 1.00 1.00 H new ATOM 0 HG13 VAL A 86 72.379 23.150 23.722 1.00 1.00 H new ATOM 0 HG21 VAL A 86 73.849 24.624 25.942 1.00 1.00 H new ATOM 0 HG22 VAL A 86 72.848 23.175 26.198 1.00 1.00 H new ATOM 0 HG23 VAL A 86 74.530 23.208 26.778 1.00 1.00 H new ATOM 1373 N PHE A 87 74.051 20.438 22.544 1.00 1.00 N ATOM 1374 CA PHE A 87 74.369 20.048 21.202 1.00 1.00 C ATOM 1375 C PHE A 87 73.579 20.841 20.207 1.00 1.00 C ATOM 1376 O PHE A 87 72.402 21.153 20.388 1.00 1.00 O ATOM 1377 CB PHE A 87 74.130 18.538 21.024 1.00 1.00 C ATOM 1378 CG PHE A 87 75.123 17.907 20.106 1.00 1.00 C ATOM 1379 CD1 PHE A 87 76.462 17.881 20.457 1.00 1.00 C ATOM 1380 CD2 PHE A 87 74.723 17.297 18.930 1.00 1.00 C ATOM 1381 CE1 PHE A 87 77.393 17.261 19.644 1.00 1.00 C ATOM 1382 CE2 PHE A 87 75.646 16.672 18.114 1.00 1.00 C ATOM 1383 CZ PHE A 87 76.982 16.649 18.474 1.00 1.00 C ATOM 0 H PHE A 87 73.080 20.249 22.793 1.00 1.00 H new ATOM 0 HA PHE A 87 75.423 20.257 21.020 1.00 1.00 H new ATOM 0 HB2 PHE A 87 74.177 18.049 21.997 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.125 18.376 20.634 1.00 1.00 H new ATOM 0 HD1 PHE A 87 76.783 18.350 21.375 1.00 1.00 H new ATOM 0 HD2 PHE A 87 73.681 17.310 18.648 1.00 1.00 H new ATOM 0 HE1 PHE A 87 78.437 17.255 19.922 1.00 1.00 H new ATOM 0 HE2 PHE A 87 75.325 16.202 17.196 1.00 1.00 H new ATOM 0 HZ PHE A 87 77.703 16.153 17.841 1.00 1.00 H new ATOM 1393 N GLN A 88 74.243 21.233 19.106 1.00 1.00 N ATOM 1394 CA GLN A 88 73.742 22.201 18.175 1.00 1.00 C ATOM 1395 C GLN A 88 73.081 21.552 17.000 1.00 1.00 C ATOM 1396 O GLN A 88 73.715 20.825 16.236 1.00 1.00 O ATOM 1397 CB GLN A 88 74.892 23.062 17.616 1.00 1.00 C ATOM 1398 CG GLN A 88 75.678 23.850 18.670 1.00 1.00 C ATOM 1399 CD GLN A 88 74.855 24.977 19.278 1.00 1.00 C ATOM 1400 OE1 GLN A 88 74.280 24.848 20.358 1.00 1.00 O ATOM 1401 NE2 GLN A 88 74.800 26.138 18.575 1.00 1.00 N ATOM 0 H GLN A 88 75.160 20.865 18.853 1.00 1.00 H new ATOM 0 HA GLN A 88 73.022 22.807 18.724 1.00 1.00 H new ATOM 0 HB2 GLN A 88 75.583 22.414 17.077 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.482 23.764 16.890 1.00 1.00 H new ATOM 0 HG2 GLN A 88 76.003 23.173 19.460 1.00 1.00 H new ATOM 0 HG3 GLN A 88 76.578 24.264 18.215 1.00 1.00 H new ATOM 0 HE21 GLN A 88 75.287 26.217 17.682 1.00 1.00 H new ATOM 0 HE22 GLN A 88 74.272 26.931 18.940 1.00 1.00 H new ATOM 1410 N GLN A 89 71.784 21.832 16.769 1.00 1.00 N ATOM 1411 CA GLN A 89 71.103 21.346 15.603 1.00 1.00 C ATOM 1412 C GLN A 89 71.062 22.398 14.541 1.00 1.00 C ATOM 1413 O GLN A 89 71.076 22.106 13.345 1.00 1.00 O ATOM 1414 CB GLN A 89 69.675 20.892 15.960 1.00 1.00 C ATOM 1415 CG GLN A 89 69.613 19.889 17.120 1.00 1.00 C ATOM 1416 CD GLN A 89 70.564 18.708 16.964 1.00 1.00 C ATOM 1417 OE1 GLN A 89 70.775 18.151 15.886 1.00 1.00 O ATOM 1418 NE2 GLN A 89 71.185 18.288 18.097 1.00 1.00 N ATOM 0 H GLN A 89 71.204 22.396 17.390 1.00 1.00 H new ATOM 0 HA GLN A 89 71.654 20.488 15.219 1.00 1.00 H new ATOM 0 HB2 GLN A 89 69.080 21.768 16.218 1.00 1.00 H new ATOM 0 HB3 GLN A 89 69.216 20.443 15.079 1.00 1.00 H new ATOM 0 HG2 GLN A 89 69.844 20.409 18.050 1.00 1.00 H new ATOM 0 HG3 GLN A 89 68.594 19.513 17.209 1.00 1.00 H new ATOM 0 HE21 GLN A 89 71.001 18.758 18.983 1.00 1.00 H new ATOM 0 HE22 GLN A 89 71.835 17.503 18.061 1.00 1.00 H new ATOM 1481 N VAL B 966 71.814 32.269 38.775 1.00 1.00 N ATOM 1482 CA VAL B 966 71.258 33.156 37.791 1.00 1.00 C ATOM 1483 C VAL B 966 69.772 33.064 37.638 1.00 1.00 C ATOM 1484 O VAL B 966 69.040 34.049 37.720 1.00 1.00 O ATOM 1485 CB VAL B 966 71.988 33.155 36.467 1.00 1.00 C ATOM 1486 CG1 VAL B 966 73.001 32.013 36.280 1.00 1.00 C ATOM 1487 CG2 VAL B 966 71.066 33.011 35.246 1.00 1.00 C ATOM 0 HA VAL B 966 71.437 34.143 38.217 1.00 1.00 H new ATOM 0 HB VAL B 966 72.481 34.126 36.514 1.00 1.00 H new ATOM 0 HG11 VAL B 966 73.471 32.100 35.300 1.00 1.00 H new ATOM 0 HG12 VAL B 966 73.765 32.073 37.055 1.00 1.00 H new ATOM 0 HG13 VAL B 966 72.486 31.055 36.351 1.00 1.00 H new ATOM 0 HG21 VAL B 966 71.665 33.019 34.335 1.00 1.00 H new ATOM 0 HG22 VAL B 966 70.519 32.071 35.312 1.00 1.00 H new ATOM 0 HG23 VAL B 966 70.360 33.841 35.223 1.00 1.00 H new ATOM 1497 N ILE B 967 69.285 31.828 37.448 1.00 1.00 N ATOM 1498 CA ILE B 967 67.916 31.534 37.133 1.00 1.00 C ATOM 1499 C ILE B 967 67.304 30.906 38.342 1.00 1.00 C ATOM 1500 O ILE B 967 67.727 29.847 38.800 1.00 1.00 O ATOM 1501 CB ILE B 967 67.781 30.672 35.901 1.00 1.00 C ATOM 1502 CG1 ILE B 967 67.886 31.541 34.632 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.458 29.885 35.898 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.549 30.911 33.403 1.00 1.00 C ATOM 0 H ILE B 967 69.867 30.993 37.516 1.00 1.00 H new ATOM 0 HA ILE B 967 67.385 32.453 36.884 1.00 1.00 H new ATOM 0 HB ILE B 967 68.596 29.948 35.911 1.00 1.00 H new ATOM 0 HG12 ILE B 967 66.879 31.851 34.351 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.438 32.445 34.887 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.398 29.277 34.995 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.417 29.238 36.775 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.620 30.582 35.922 1.00 1.00 H new ATOM 0 HD11 ILE B 967 68.556 31.631 32.584 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.573 30.629 33.647 1.00 1.00 H new ATOM 0 HD13 ILE B 967 67.990 30.025 33.102 1.00 1.00 H new ATOM 1516 N ASP B 968 66.295 31.547 38.957 1.00 1.00 N ATOM 1517 CA ASP B 968 65.463 30.948 39.959 1.00 1.00 C ATOM 1518 C ASP B 968 64.172 30.590 39.288 1.00 1.00 C ATOM 1519 O ASP B 968 63.441 31.488 38.873 1.00 1.00 O ATOM 1520 CB ASP B 968 65.253 31.935 41.124 1.00 1.00 C ATOM 1521 CG ASP B 968 66.600 32.415 41.642 1.00 1.00 C ATOM 1522 OD1 ASP B 968 67.388 31.589 42.172 1.00 1.00 O ATOM 1523 OD2 ASP B 968 66.901 33.632 41.516 1.00 1.00 O ATOM 0 H ASP B 968 66.048 32.515 38.752 1.00 1.00 H new ATOM 0 HA ASP B 968 65.918 30.054 40.385 1.00 1.00 H new ATOM 0 HB2 ASP B 968 64.658 32.785 40.790 1.00 1.00 H new ATOM 0 HB3 ASP B 968 64.696 31.451 41.926 1.00 1.00 H new ATOM 1528 N LEU B 969 63.839 29.299 39.083 1.00 1.00 N ATOM 1529 CA LEU B 969 62.702 28.961 38.269 1.00 1.00 C ATOM 1530 C LEU B 969 61.538 28.437 39.052 1.00 1.00 C ATOM 1531 O LEU B 969 61.678 27.759 40.068 1.00 1.00 O ATOM 1532 CB LEU B 969 63.084 28.111 37.039 1.00 1.00 C ATOM 1533 CG LEU B 969 63.934 26.862 37.327 1.00 1.00 C ATOM 1534 CD1 LEU B 969 63.115 25.716 37.937 1.00 1.00 C ATOM 1535 CD2 LEU B 969 64.713 26.322 36.119 1.00 1.00 C ATOM 0 H LEU B 969 64.344 28.502 39.471 1.00 1.00 H new ATOM 0 HA LEU B 969 62.334 29.901 37.857 1.00 1.00 H new ATOM 0 HB2 LEU B 969 62.168 27.797 36.539 1.00 1.00 H new ATOM 0 HB3 LEU B 969 63.628 28.744 36.338 1.00 1.00 H new ATOM 0 HG LEU B 969 64.663 27.222 38.053 1.00 1.00 H new ATOM 0 HD11 LEU B 969 63.766 24.861 38.119 1.00 1.00 H new ATOM 0 HD12 LEU B 969 62.675 26.044 38.879 1.00 1.00 H new ATOM 0 HD13 LEU B 969 62.322 25.428 37.247 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.283 25.442 36.417 1.00 1.00 H new ATOM 0 HD22 LEU B 969 64.015 26.051 35.327 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.396 27.089 35.754 1.00 1.00 H new