USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 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 48 CYS SG : rot 71:sc= 0.527 USER MOD Set 1.2: A 55 MET CE :methyl 169:sc= -0.0102 (180deg=-0.207) USER MOD Set 2.1: A 38 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 ASN : amide:sc= 0.707 X(o=0.84,f=1.1) USER MOD Set 3.2: A 31 GLN : amide:sc= 0.134 X(o=0.84,f=1.1) USER MOD Single : A 17 HIS : no HE2:sc= -0.334 X(o=-0.33,f=-0.63) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 1.21 (180deg=1.15) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.265 X(o=-0.26,f=-0.019) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -177:sc=-0.00565 (180deg=-0.0134) USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 1.27 (180deg=1.05) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.157 X(o=-0.16,f=-0.16) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.102 X(o=-0.1,f=-0.53) USER MOD Single : A 65 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.055) USER MOD Single : A 68 ASN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.513 USER MOD Single : A 75 GLN : amide:sc= 0.0292 X(o=0.029,f=0) USER MOD Single : A 78 MET CE :methyl 164:sc= -0.187 (180deg=-0.626) 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= -0.349 X(o=-0.35,f=-0.19) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 65.281 21.209 46.369 1.00 1.00 N ATOM 245 CA HIS A 17 65.809 22.185 45.466 1.00 1.00 C ATOM 246 C HIS A 17 67.218 21.825 45.119 1.00 1.00 C ATOM 247 O HIS A 17 68.036 21.457 45.961 1.00 1.00 O ATOM 248 CB HIS A 17 65.841 23.622 46.019 1.00 1.00 C ATOM 249 CG HIS A 17 64.525 24.267 46.350 1.00 1.00 C ATOM 250 ND1 HIS A 17 63.482 23.653 46.991 1.00 1.00 N ATOM 251 CD2 HIS A 17 64.117 25.535 46.078 1.00 1.00 C ATOM 252 CE1 HIS A 17 62.473 24.501 47.090 1.00 1.00 C ATOM 253 NE2 HIS A 17 62.832 25.646 46.538 1.00 1.00 N ATOM 0 HA HIS A 17 65.137 22.174 44.608 1.00 1.00 H new ATOM 0 HB2 HIS A 17 66.452 23.622 46.922 1.00 1.00 H new ATOM 0 HB3 HIS A 17 66.350 24.252 45.290 1.00 1.00 H new ATOM 0 HD1 HIS A 17 63.484 22.694 47.337 1.00 1.00 H new ATOM 0 HD2 HIS A 17 64.695 26.307 45.592 1.00 1.00 H new ATOM 0 HE1 HIS A 17 61.516 24.293 47.546 1.00 1.00 H new ATOM 262 N ILE A 18 67.531 21.953 43.821 1.00 1.00 N ATOM 263 CA ILE A 18 68.792 21.642 43.214 1.00 1.00 C ATOM 264 C ILE A 18 69.082 22.717 42.217 1.00 1.00 C ATOM 265 O ILE A 18 68.207 23.475 41.802 1.00 1.00 O ATOM 266 CB ILE A 18 68.872 20.286 42.559 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.878 20.075 41.401 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.719 19.194 43.634 1.00 1.00 C ATOM 269 CD1 ILE A 18 68.254 18.854 40.562 1.00 1.00 C ATOM 0 H ILE A 18 66.853 22.300 43.142 1.00 1.00 H new ATOM 0 HA ILE A 18 69.535 21.599 44.010 1.00 1.00 H new ATOM 0 HB ILE A 18 69.854 20.221 42.090 1.00 1.00 H new ATOM 0 HG12 ILE A 18 66.872 19.948 41.801 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.860 20.962 40.768 1.00 1.00 H new ATOM 0 HG21 ILE A 18 68.776 18.212 43.165 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.518 19.292 44.369 1.00 1.00 H new ATOM 0 HG23 ILE A 18 67.754 19.304 44.130 1.00 1.00 H new ATOM 0 HD11 ILE A 18 67.533 18.732 39.753 1.00 1.00 H new ATOM 0 HD12 ILE A 18 69.250 18.994 40.142 1.00 1.00 H new ATOM 0 HD13 ILE A 18 68.247 17.964 41.191 1.00 1.00 H new ATOM 281 N ASN A 19 70.353 22.872 41.810 1.00 1.00 N ATOM 282 CA ASN A 19 70.706 23.733 40.721 1.00 1.00 C ATOM 283 C ASN A 19 71.309 22.852 39.675 1.00 1.00 C ATOM 284 O ASN A 19 71.988 21.872 39.974 1.00 1.00 O ATOM 285 CB ASN A 19 71.729 24.826 41.087 1.00 1.00 C ATOM 286 CG ASN A 19 71.268 25.806 42.155 1.00 1.00 C ATOM 287 OD1 ASN A 19 71.052 26.991 41.895 1.00 1.00 O ATOM 288 ND2 ASN A 19 71.178 25.335 43.425 1.00 1.00 N ATOM 0 H ASN A 19 71.146 22.396 42.240 1.00 1.00 H new ATOM 0 HA ASN A 19 69.809 24.259 40.395 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.646 24.345 41.428 1.00 1.00 H new ATOM 0 HB3 ASN A 19 71.979 25.385 40.185 1.00 1.00 H new ATOM 0 HD21 ASN A 19 70.927 25.966 44.186 1.00 1.00 H new ATOM 0 HD22 ASN A 19 71.361 24.350 43.618 1.00 1.00 H new ATOM 295 N LEU A 20 71.084 23.149 38.385 1.00 1.00 N ATOM 296 CA LEU A 20 71.829 22.505 37.341 1.00 1.00 C ATOM 297 C LEU A 20 72.313 23.615 36.460 1.00 1.00 C ATOM 298 O LEU A 20 71.733 24.700 36.432 1.00 1.00 O ATOM 299 CB LEU A 20 71.060 21.423 36.551 1.00 1.00 C ATOM 300 CG LEU A 20 69.828 21.919 35.775 1.00 1.00 C ATOM 301 CD1 LEU A 20 69.523 21.202 34.450 1.00 1.00 C ATOM 302 CD2 LEU A 20 68.537 21.961 36.606 1.00 1.00 C ATOM 0 H LEU A 20 70.394 23.828 38.062 1.00 1.00 H new ATOM 0 HA LEU A 20 72.645 21.929 37.779 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.747 20.955 35.846 1.00 1.00 H new ATOM 0 HB3 LEU A 20 70.741 20.648 37.247 1.00 1.00 H new ATOM 0 HG LEU A 20 70.145 22.933 35.531 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.634 21.639 33.996 1.00 1.00 H new ATOM 0 HD12 LEU A 20 70.369 21.315 33.772 1.00 1.00 H new ATOM 0 HD13 LEU A 20 69.350 20.143 34.641 1.00 1.00 H new ATOM 0 HD21 LEU A 20 67.716 22.321 35.986 1.00 1.00 H new ATOM 0 HD22 LEU A 20 68.305 20.960 36.969 1.00 1.00 H new ATOM 0 HD23 LEU A 20 68.672 22.632 37.454 1.00 1.00 H new ATOM 314 N LYS A 21 73.403 23.411 35.704 1.00 1.00 N ATOM 315 CA LYS A 21 73.870 24.271 34.659 1.00 1.00 C ATOM 316 C LYS A 21 73.802 23.561 33.348 1.00 1.00 C ATOM 317 O LYS A 21 73.902 22.338 33.271 1.00 1.00 O ATOM 318 CB LYS A 21 75.310 24.761 34.907 1.00 1.00 C ATOM 319 CG LYS A 21 76.399 23.704 34.688 1.00 1.00 C ATOM 320 CD LYS A 21 77.763 24.065 35.284 1.00 1.00 C ATOM 321 CE LYS A 21 77.733 24.154 36.812 1.00 1.00 C ATOM 322 NZ LYS A 21 79.100 24.247 37.366 1.00 1.00 N ATOM 0 H LYS A 21 73.998 22.592 35.829 1.00 1.00 H new ATOM 0 HA LYS A 21 73.221 25.146 34.645 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.508 25.607 34.250 1.00 1.00 H new ATOM 0 HB3 LYS A 21 75.382 25.129 35.931 1.00 1.00 H new ATOM 0 HG2 LYS A 21 76.065 22.761 35.122 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.517 23.538 33.617 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.497 23.318 34.982 1.00 1.00 H new ATOM 0 HD3 LYS A 21 78.093 25.020 34.875 1.00 1.00 H new ATOM 0 HE2 LYS A 21 77.153 25.025 37.117 1.00 1.00 H new ATOM 0 HE3 LYS A 21 77.230 23.277 37.221 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 79.051 24.306 38.403 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 79.644 23.404 37.093 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 79.569 25.097 36.993 1.00 1.00 H new ATOM 336 N VAL A 22 73.607 24.305 32.247 1.00 1.00 N ATOM 337 CA VAL A 22 73.682 23.833 30.904 1.00 1.00 C ATOM 338 C VAL A 22 74.897 24.474 30.317 1.00 1.00 C ATOM 339 O VAL A 22 75.075 25.689 30.413 1.00 1.00 O ATOM 340 CB VAL A 22 72.450 24.278 30.170 1.00 1.00 C ATOM 341 CG1 VAL A 22 71.366 23.200 30.322 1.00 1.00 C ATOM 342 CG2 VAL A 22 71.935 25.651 30.631 1.00 1.00 C ATOM 0 H VAL A 22 73.383 25.299 32.300 1.00 1.00 H new ATOM 0 HA VAL A 22 73.743 22.747 30.842 1.00 1.00 H new ATOM 0 HB VAL A 22 72.711 24.402 29.119 1.00 1.00 H new ATOM 0 HG11 VAL A 22 70.466 23.512 29.793 1.00 1.00 H new ATOM 0 HG12 VAL A 22 71.726 22.260 29.903 1.00 1.00 H new ATOM 0 HG13 VAL A 22 71.136 23.062 31.378 1.00 1.00 H new ATOM 0 HG21 VAL A 22 71.043 25.915 30.062 1.00 1.00 H new ATOM 0 HG22 VAL A 22 71.689 25.610 31.692 1.00 1.00 H new ATOM 0 HG23 VAL A 22 72.706 26.403 30.466 1.00 1.00 H new ATOM 352 N ALA A 23 75.784 23.649 29.734 1.00 1.00 N ATOM 353 CA ALA A 23 77.055 24.071 29.223 1.00 1.00 C ATOM 354 C ALA A 23 77.278 23.579 27.826 1.00 1.00 C ATOM 355 O ALA A 23 77.124 22.399 27.515 1.00 1.00 O ATOM 356 CB ALA A 23 78.162 23.537 30.149 1.00 1.00 C ATOM 0 H ALA A 23 75.612 22.651 29.613 1.00 1.00 H new ATOM 0 HA ALA A 23 77.076 25.160 29.194 1.00 1.00 H new ATOM 0 HB1 ALA A 23 79.135 23.851 29.771 1.00 1.00 H new ATOM 0 HB2 ALA A 23 78.018 23.933 31.154 1.00 1.00 H new ATOM 0 HB3 ALA A 23 78.118 22.448 30.178 1.00 1.00 H new ATOM 362 N GLY A 24 77.674 24.492 26.922 1.00 1.00 N ATOM 363 CA GLY A 24 78.075 24.168 25.582 1.00 1.00 C ATOM 364 C GLY A 24 78.514 25.421 24.902 1.00 1.00 C ATOM 365 O GLY A 24 78.910 26.377 25.568 1.00 1.00 O ATOM 0 H GLY A 24 77.718 25.490 27.127 1.00 1.00 H new ATOM 0 HA2 GLY A 24 78.886 23.440 25.595 1.00 1.00 H new ATOM 0 HA3 GLY A 24 77.247 23.713 25.039 1.00 1.00 H new ATOM 416 N VAL A 29 77.464 29.176 29.383 1.00 1.00 N ATOM 417 CA VAL A 29 76.826 28.496 30.476 1.00 1.00 C ATOM 418 C VAL A 29 75.684 29.282 31.045 1.00 1.00 C ATOM 419 O VAL A 29 75.754 30.505 31.166 1.00 1.00 O ATOM 420 CB VAL A 29 77.846 28.102 31.513 1.00 1.00 C ATOM 421 CG1 VAL A 29 78.490 29.336 32.167 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.261 27.146 32.568 1.00 1.00 C ATOM 0 HA VAL A 29 76.379 27.579 30.093 1.00 1.00 H new ATOM 0 HB VAL A 29 78.633 27.556 30.992 1.00 1.00 H new ATOM 0 HG11 VAL A 29 79.220 29.015 32.910 1.00 1.00 H new ATOM 0 HG12 VAL A 29 78.988 29.934 31.404 1.00 1.00 H new ATOM 0 HG13 VAL A 29 77.719 29.935 32.652 1.00 1.00 H new ATOM 0 HG21 VAL A 29 78.032 26.890 33.294 1.00 1.00 H new ATOM 0 HG22 VAL A 29 76.429 27.632 33.078 1.00 1.00 H new ATOM 0 HG23 VAL A 29 76.906 26.238 32.080 1.00 1.00 H new ATOM 432 N VAL A 30 74.557 28.640 31.409 1.00 1.00 N ATOM 433 CA VAL A 30 73.626 29.209 32.349 1.00 1.00 C ATOM 434 C VAL A 30 73.304 28.225 33.430 1.00 1.00 C ATOM 435 O VAL A 30 73.154 27.037 33.147 1.00 1.00 O ATOM 436 CB VAL A 30 72.415 29.878 31.746 1.00 1.00 C ATOM 437 CG1 VAL A 30 71.075 29.139 31.913 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.222 31.272 32.368 1.00 1.00 C ATOM 0 H VAL A 30 74.286 27.723 31.053 1.00 1.00 H new ATOM 0 HA VAL A 30 74.141 30.054 32.807 1.00 1.00 H new ATOM 0 HB VAL A 30 72.641 29.898 30.680 1.00 1.00 H new ATOM 0 HG11 VAL A 30 70.280 29.715 31.440 1.00 1.00 H new ATOM 0 HG12 VAL A 30 71.140 28.157 31.444 1.00 1.00 H new ATOM 0 HG13 VAL A 30 70.855 29.020 32.974 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.346 31.749 31.928 1.00 1.00 H new ATOM 0 HG22 VAL A 30 72.079 31.174 33.444 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.104 31.883 32.173 1.00 1.00 H new ATOM 448 N GLN A 31 73.211 28.641 34.708 1.00 1.00 N ATOM 449 CA GLN A 31 72.823 27.774 35.784 1.00 1.00 C ATOM 450 C GLN A 31 71.603 28.237 36.511 1.00 1.00 C ATOM 451 O GLN A 31 71.399 29.411 36.812 1.00 1.00 O ATOM 452 CB GLN A 31 73.966 27.466 36.769 1.00 1.00 C ATOM 453 CG GLN A 31 74.180 28.336 38.017 1.00 1.00 C ATOM 454 CD GLN A 31 73.525 27.822 39.295 1.00 1.00 C ATOM 455 OE1 GLN A 31 74.153 27.135 40.101 1.00 1.00 O ATOM 456 NE2 GLN A 31 72.246 28.204 39.548 1.00 1.00 N ATOM 0 H GLN A 31 73.409 29.598 35.001 1.00 1.00 H new ATOM 0 HA GLN A 31 72.566 26.837 35.290 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.826 26.441 37.112 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.895 27.488 36.199 1.00 1.00 H new ATOM 0 HG2 GLN A 31 75.252 28.433 38.192 1.00 1.00 H new ATOM 0 HG3 GLN A 31 73.799 29.336 37.811 1.00 1.00 H new ATOM 0 HE21 GLN A 31 71.740 28.773 38.869 1.00 1.00 H new ATOM 0 HE22 GLN A 31 71.792 27.922 40.417 1.00 1.00 H new ATOM 465 N PHE A 32 70.731 27.278 36.859 1.00 1.00 N ATOM 466 CA PHE A 32 69.397 27.581 37.275 1.00 1.00 C ATOM 467 C PHE A 32 68.900 26.669 38.348 1.00 1.00 C ATOM 468 O PHE A 32 69.280 25.503 38.432 1.00 1.00 O ATOM 469 CB PHE A 32 68.445 27.647 36.067 1.00 1.00 C ATOM 470 CG PHE A 32 68.738 26.847 34.840 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.206 25.546 34.841 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.507 27.476 33.630 1.00 1.00 C ATOM 473 CE1 PHE A 32 69.487 24.904 33.649 1.00 1.00 C ATOM 474 CE2 PHE A 32 68.754 26.830 32.435 1.00 1.00 C ATOM 475 CZ PHE A 32 69.230 25.534 32.445 1.00 1.00 C ATOM 0 H PHE A 32 70.951 26.282 36.852 1.00 1.00 H new ATOM 0 HA PHE A 32 69.420 28.572 37.729 1.00 1.00 H new ATOM 0 HB2 PHE A 32 67.456 27.352 36.417 1.00 1.00 H new ATOM 0 HB3 PHE A 32 68.378 28.692 35.764 1.00 1.00 H new ATOM 0 HD1 PHE A 32 69.353 25.029 35.778 1.00 1.00 H new ATOM 0 HD2 PHE A 32 68.128 28.487 33.620 1.00 1.00 H new ATOM 0 HE1 PHE A 32 69.908 23.909 33.658 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.576 27.336 31.498 1.00 1.00 H new ATOM 0 HZ PHE A 32 69.401 25.013 31.514 1.00 1.00 H new ATOM 485 N LYS A 33 68.058 27.230 39.236 1.00 1.00 N ATOM 486 CA LYS A 33 67.681 26.646 40.489 1.00 1.00 C ATOM 487 C LYS A 33 66.240 26.249 40.549 1.00 1.00 C ATOM 488 O LYS A 33 65.333 27.084 40.520 1.00 1.00 O ATOM 489 CB LYS A 33 67.781 27.759 41.542 1.00 1.00 C ATOM 490 CG LYS A 33 67.861 27.230 42.977 1.00 1.00 C ATOM 491 CD LYS A 33 68.179 28.334 43.989 1.00 1.00 C ATOM 492 CE LYS A 33 66.944 29.131 44.416 1.00 1.00 C ATOM 493 NZ LYS A 33 67.372 30.431 44.968 1.00 1.00 N ATOM 0 H LYS A 33 67.618 28.136 39.072 1.00 1.00 H new ATOM 0 HA LYS A 33 68.319 25.775 40.638 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.663 28.366 41.336 1.00 1.00 H new ATOM 0 HB3 LYS A 33 66.915 28.414 41.451 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.914 26.760 43.242 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.627 26.457 43.034 1.00 1.00 H new ATOM 0 HD2 LYS A 33 68.639 27.889 44.871 1.00 1.00 H new ATOM 0 HD3 LYS A 33 68.912 29.015 43.556 1.00 1.00 H new ATOM 0 HE2 LYS A 33 66.283 29.285 43.563 1.00 1.00 H new ATOM 0 HE3 LYS A 33 66.377 28.574 45.162 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 66.547 30.934 45.352 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 68.066 30.275 45.726 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 67.805 31.002 44.215 1.00 1.00 H new ATOM 507 N ILE A 34 66.051 24.926 40.683 1.00 1.00 N ATOM 508 CA ILE A 34 64.903 24.196 40.233 1.00 1.00 C ATOM 509 C ILE A 34 64.680 22.983 41.075 1.00 1.00 C ATOM 510 O ILE A 34 65.546 22.484 41.792 1.00 1.00 O ATOM 511 CB ILE A 34 64.959 23.930 38.751 1.00 1.00 C ATOM 512 CG1 ILE A 34 64.087 22.832 38.112 1.00 1.00 C ATOM 513 CG2 ILE A 34 66.401 23.828 38.228 1.00 1.00 C ATOM 514 CD1 ILE A 34 64.706 21.434 38.078 1.00 1.00 C ATOM 0 H ILE A 34 66.742 24.326 41.134 1.00 1.00 H new ATOM 0 HA ILE A 34 64.015 24.814 40.369 1.00 1.00 H new ATOM 0 HB ILE A 34 64.456 24.834 38.408 1.00 1.00 H new ATOM 0 HG12 ILE A 34 63.144 22.779 38.656 1.00 1.00 H new ATOM 0 HG13 ILE A 34 63.850 23.130 37.091 1.00 1.00 H new ATOM 0 HG21 ILE A 34 66.386 23.636 37.155 1.00 1.00 H new ATOM 0 HG22 ILE A 34 66.925 24.764 38.422 1.00 1.00 H new ATOM 0 HG23 ILE A 34 66.915 23.012 38.736 1.00 1.00 H new ATOM 0 HD11 ILE A 34 64.010 20.739 37.609 1.00 1.00 H new ATOM 0 HD12 ILE A 34 65.633 21.461 37.506 1.00 1.00 H new ATOM 0 HD13 ILE A 34 64.917 21.105 39.095 1.00 1.00 H new ATOM 526 N LYS A 35 63.407 22.558 41.095 1.00 1.00 N ATOM 527 CA LYS A 35 62.914 21.544 41.981 1.00 1.00 C ATOM 528 C LYS A 35 62.639 20.232 41.319 1.00 1.00 C ATOM 529 O LYS A 35 62.636 20.079 40.099 1.00 1.00 O ATOM 530 CB LYS A 35 61.723 22.041 42.822 1.00 1.00 C ATOM 531 CG LYS A 35 62.113 23.159 43.795 1.00 1.00 C ATOM 532 CD LYS A 35 62.046 24.580 43.227 1.00 1.00 C ATOM 533 CE LYS A 35 60.607 25.041 42.998 1.00 1.00 C ATOM 534 NZ LYS A 35 60.561 26.517 42.937 1.00 1.00 N ATOM 0 H LYS A 35 62.691 22.932 40.472 1.00 1.00 H new ATOM 0 HA LYS A 35 63.734 21.340 42.669 1.00 1.00 H new ATOM 0 HB2 LYS A 35 60.938 22.401 42.156 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.306 21.205 43.384 1.00 1.00 H new ATOM 0 HG2 LYS A 35 61.460 23.103 44.666 1.00 1.00 H new ATOM 0 HG3 LYS A 35 63.128 22.974 44.146 1.00 1.00 H new ATOM 0 HD2 LYS A 35 62.542 25.268 43.912 1.00 1.00 H new ATOM 0 HD3 LYS A 35 62.593 24.619 42.285 1.00 1.00 H new ATOM 0 HE2 LYS A 35 60.222 24.617 42.071 1.00 1.00 H new ATOM 0 HE3 LYS A 35 59.967 24.680 43.803 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 59.581 26.828 42.781 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 60.911 26.913 43.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 61.159 26.851 42.154 1.00 1.00 H new ATOM 548 N ARG A 36 62.466 19.184 42.145 1.00 1.00 N ATOM 549 CA ARG A 36 62.610 17.806 41.768 1.00 1.00 C ATOM 550 C ARG A 36 61.667 17.278 40.732 1.00 1.00 C ATOM 551 O ARG A 36 62.065 16.502 39.864 1.00 1.00 O ATOM 552 CB ARG A 36 62.482 16.940 43.037 1.00 1.00 C ATOM 553 CG ARG A 36 62.947 15.481 42.923 1.00 1.00 C ATOM 554 CD ARG A 36 64.463 15.280 42.998 1.00 1.00 C ATOM 555 NE ARG A 36 64.877 15.648 44.383 1.00 1.00 N ATOM 556 CZ ARG A 36 66.157 15.857 44.779 1.00 1.00 C ATOM 557 NH1 ARG A 36 67.217 15.760 43.941 1.00 1.00 N ATOM 558 NH2 ARG A 36 66.358 16.188 46.078 1.00 1.00 N ATOM 0 H ARG A 36 62.213 19.301 43.126 1.00 1.00 H new ATOM 0 HA ARG A 36 63.590 17.751 41.294 1.00 1.00 H new ATOM 0 HB2 ARG A 36 63.051 17.418 43.834 1.00 1.00 H new ATOM 0 HB3 ARG A 36 61.437 16.941 43.347 1.00 1.00 H new ATOM 0 HG2 ARG A 36 62.479 14.902 43.719 1.00 1.00 H new ATOM 0 HG3 ARG A 36 62.587 15.073 41.978 1.00 1.00 H new ATOM 0 HD2 ARG A 36 64.728 14.246 42.777 1.00 1.00 H new ATOM 0 HD3 ARG A 36 64.973 15.903 42.263 1.00 1.00 H new ATOM 0 HE ARG A 36 64.143 15.750 45.084 1.00 1.00 H new ATOM 0 HH11 ARG A 36 67.072 15.520 42.960 1.00 1.00 H new ATOM 0 HH12 ARG A 36 68.160 15.927 44.291 1.00 1.00 H new ATOM 0 HH21 ARG A 36 65.563 16.270 46.712 1.00 1.00 H new ATOM 0 HH22 ARG A 36 67.304 16.355 46.421 1.00 1.00 H new ATOM 572 N HIS A 37 60.384 17.687 40.748 1.00 1.00 N ATOM 573 CA HIS A 37 59.395 17.209 39.825 1.00 1.00 C ATOM 574 C HIS A 37 59.171 18.117 38.658 1.00 1.00 C ATOM 575 O HIS A 37 58.181 17.989 37.938 1.00 1.00 O ATOM 576 CB HIS A 37 58.082 16.895 40.569 1.00 1.00 C ATOM 577 CG HIS A 37 57.308 18.017 41.202 1.00 1.00 C ATOM 578 ND1 HIS A 37 56.596 17.817 42.354 1.00 1.00 N ATOM 579 CD2 HIS A 37 57.056 19.294 40.812 1.00 1.00 C ATOM 580 CE1 HIS A 37 55.963 18.931 42.678 1.00 1.00 C ATOM 581 NE2 HIS A 37 56.237 19.844 41.763 1.00 1.00 N ATOM 0 H HIS A 37 60.024 18.366 41.418 1.00 1.00 H new ATOM 0 HA HIS A 37 59.786 16.288 39.393 1.00 1.00 H new ATOM 0 HB2 HIS A 37 57.417 16.396 39.864 1.00 1.00 H new ATOM 0 HB3 HIS A 37 58.314 16.174 41.353 1.00 1.00 H new ATOM 0 HD2 HIS A 37 57.429 19.782 39.924 1.00 1.00 H new ATOM 0 HE1 HIS A 37 55.330 19.071 43.542 1.00 1.00 H new ATOM 0 HE2 HIS A 37 55.894 20.805 41.764 1.00 1.00 H new ATOM 590 N THR A 38 60.091 19.066 38.407 1.00 1.00 N ATOM 591 CA THR A 38 60.046 19.981 37.300 1.00 1.00 C ATOM 592 C THR A 38 60.623 19.375 36.055 1.00 1.00 C ATOM 593 O THR A 38 61.675 18.747 36.152 1.00 1.00 O ATOM 594 CB THR A 38 60.822 21.227 37.636 1.00 1.00 C ATOM 595 OG1 THR A 38 60.117 22.007 38.591 1.00 1.00 O ATOM 596 CG2 THR A 38 61.072 22.161 36.441 1.00 1.00 C ATOM 0 H THR A 38 60.907 19.205 39.003 1.00 1.00 H new ATOM 0 HA THR A 38 58.999 20.221 37.116 1.00 1.00 H new ATOM 0 HB THR A 38 61.778 20.856 38.006 1.00 1.00 H new ATOM 0 HG1 THR A 38 60.634 22.813 38.801 1.00 1.00 H new ATOM 0 HG21 THR A 38 61.637 23.032 36.772 1.00 1.00 H new ATOM 0 HG22 THR A 38 61.639 21.630 35.677 1.00 1.00 H new ATOM 0 HG23 THR A 38 60.117 22.484 36.026 1.00 1.00 H new ATOM 604 N PRO A 39 60.073 19.480 34.872 1.00 1.00 N ATOM 605 CA PRO A 39 60.711 19.018 33.665 1.00 1.00 C ATOM 606 C PRO A 39 61.924 19.797 33.265 1.00 1.00 C ATOM 607 O PRO A 39 62.031 20.995 33.523 1.00 1.00 O ATOM 608 CB PRO A 39 59.647 19.158 32.575 1.00 1.00 C ATOM 609 CG PRO A 39 58.701 20.246 33.100 1.00 1.00 C ATOM 610 CD PRO A 39 58.741 20.012 34.615 1.00 1.00 C ATOM 0 HA PRO A 39 61.068 18.000 33.821 1.00 1.00 H new ATOM 0 HB2 PRO A 39 60.091 19.444 31.621 1.00 1.00 H new ATOM 0 HB3 PRO A 39 59.120 18.218 32.412 1.00 1.00 H new ATOM 0 HG2 PRO A 39 59.044 21.246 32.834 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.694 20.137 32.698 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.572 20.939 35.163 1.00 1.00 H new ATOM 0 HD3 PRO A 39 57.967 19.311 34.928 1.00 1.00 H new ATOM 618 N LEU A 40 62.865 19.155 32.549 1.00 1.00 N ATOM 619 CA LEU A 40 64.025 19.792 31.992 1.00 1.00 C ATOM 620 C LEU A 40 63.722 20.859 30.987 1.00 1.00 C ATOM 621 O LEU A 40 64.460 21.825 30.805 1.00 1.00 O ATOM 622 CB LEU A 40 65.139 18.807 31.601 1.00 1.00 C ATOM 623 CG LEU A 40 64.891 17.894 30.392 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.397 18.520 29.083 1.00 1.00 C ATOM 625 CD2 LEU A 40 65.616 16.570 30.680 1.00 1.00 C ATOM 0 H LEU A 40 62.819 18.156 32.349 1.00 1.00 H new ATOM 0 HA LEU A 40 64.462 20.360 32.814 1.00 1.00 H new ATOM 0 HB2 LEU A 40 66.043 19.383 31.406 1.00 1.00 H new ATOM 0 HB3 LEU A 40 65.344 18.173 32.464 1.00 1.00 H new ATOM 0 HG LEU A 40 63.821 17.738 30.255 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.201 17.839 28.255 1.00 1.00 H new ATOM 0 HD12 LEU A 40 64.881 19.464 28.908 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.469 18.702 29.157 1.00 1.00 H new ATOM 0 HD21 LEU A 40 65.468 15.885 29.845 1.00 1.00 H new ATOM 0 HD22 LEU A 40 66.682 16.759 30.810 1.00 1.00 H new ATOM 0 HD23 LEU A 40 65.213 16.125 31.590 1.00 1.00 H new ATOM 637 N SER A 41 62.558 20.779 30.319 1.00 1.00 N ATOM 638 CA SER A 41 62.001 21.842 29.533 1.00 1.00 C ATOM 639 C SER A 41 61.864 23.167 30.220 1.00 1.00 C ATOM 640 O SER A 41 61.870 24.196 29.545 1.00 1.00 O ATOM 641 CB SER A 41 60.682 21.476 28.825 1.00 1.00 C ATOM 642 OG SER A 41 59.626 21.119 29.707 1.00 1.00 O ATOM 0 H SER A 41 61.979 19.940 30.325 1.00 1.00 H new ATOM 0 HA SER A 41 62.775 21.973 28.776 1.00 1.00 H new ATOM 0 HB2 SER A 41 60.362 22.322 28.217 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.867 20.646 28.143 1.00 1.00 H new ATOM 0 HG SER A 41 58.824 20.902 29.187 1.00 1.00 H new ATOM 648 N LYS A 42 61.677 23.247 31.553 1.00 1.00 N ATOM 649 CA LYS A 42 61.286 24.481 32.172 1.00 1.00 C ATOM 650 C LYS A 42 62.440 25.431 32.228 1.00 1.00 C ATOM 651 O LYS A 42 62.400 26.588 31.811 1.00 1.00 O ATOM 652 CB LYS A 42 60.742 24.125 33.568 1.00 1.00 C ATOM 653 CG LYS A 42 60.172 25.289 34.383 1.00 1.00 C ATOM 654 CD LYS A 42 59.017 24.856 35.293 1.00 1.00 C ATOM 655 CE LYS A 42 59.269 25.112 36.780 1.00 1.00 C ATOM 656 NZ LYS A 42 58.083 24.760 37.592 1.00 1.00 N ATOM 0 H LYS A 42 61.795 22.465 32.198 1.00 1.00 H new ATOM 0 HA LYS A 42 60.513 24.992 31.598 1.00 1.00 H new ATOM 0 HB2 LYS A 42 59.962 23.373 33.451 1.00 1.00 H new ATOM 0 HB3 LYS A 42 61.545 23.664 34.143 1.00 1.00 H new ATOM 0 HG2 LYS A 42 60.965 25.726 34.990 1.00 1.00 H new ATOM 0 HG3 LYS A 42 59.824 26.068 33.704 1.00 1.00 H new ATOM 0 HD2 LYS A 42 58.113 25.384 34.992 1.00 1.00 H new ATOM 0 HD3 LYS A 42 58.829 23.793 35.144 1.00 1.00 H new ATOM 0 HE2 LYS A 42 60.127 24.527 37.112 1.00 1.00 H new ATOM 0 HE3 LYS A 42 59.520 26.162 36.934 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 58.283 24.944 38.596 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 57.272 25.336 37.289 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 57.860 23.753 37.462 1.00 1.00 H new ATOM 670 N LEU A 43 63.590 24.883 32.653 1.00 1.00 N ATOM 671 CA LEU A 43 64.869 25.523 32.606 1.00 1.00 C ATOM 672 C LEU A 43 65.420 25.719 31.228 1.00 1.00 C ATOM 673 O LEU A 43 66.103 26.705 30.956 1.00 1.00 O ATOM 674 CB LEU A 43 65.841 24.964 33.657 1.00 1.00 C ATOM 675 CG LEU A 43 66.148 23.459 33.729 1.00 1.00 C ATOM 676 CD1 LEU A 43 64.981 22.595 34.231 1.00 1.00 C ATOM 677 CD2 LEU A 43 66.839 22.852 32.498 1.00 1.00 C ATOM 0 H LEU A 43 63.631 23.945 33.050 1.00 1.00 H new ATOM 0 HA LEU A 43 64.707 26.556 32.915 1.00 1.00 H new ATOM 0 HB2 LEU A 43 66.792 25.478 33.518 1.00 1.00 H new ATOM 0 HB3 LEU A 43 65.459 25.259 34.634 1.00 1.00 H new ATOM 0 HG LEU A 43 66.910 23.427 34.508 1.00 1.00 H new ATOM 0 HD11 LEU A 43 65.285 21.548 34.250 1.00 1.00 H new ATOM 0 HD12 LEU A 43 64.701 22.910 35.236 1.00 1.00 H new ATOM 0 HD13 LEU A 43 64.128 22.713 33.563 1.00 1.00 H new ATOM 0 HD21 LEU A 43 67.005 21.787 32.662 1.00 1.00 H new ATOM 0 HD22 LEU A 43 66.207 22.990 31.621 1.00 1.00 H new ATOM 0 HD23 LEU A 43 67.796 23.348 32.336 1.00 1.00 H new ATOM 689 N MET A 44 65.121 24.834 30.258 1.00 1.00 N ATOM 690 CA MET A 44 65.492 25.015 28.882 1.00 1.00 C ATOM 691 C MET A 44 64.907 26.238 28.248 1.00 1.00 C ATOM 692 O MET A 44 65.584 26.992 27.549 1.00 1.00 O ATOM 693 CB MET A 44 65.106 23.776 28.052 1.00 1.00 C ATOM 694 CG MET A 44 65.651 23.787 26.620 1.00 1.00 C ATOM 695 SD MET A 44 65.521 22.178 25.786 1.00 1.00 S ATOM 696 CE MET A 44 66.657 22.662 24.455 1.00 1.00 C ATOM 0 H MET A 44 64.608 23.970 30.432 1.00 1.00 H new ATOM 0 HA MET A 44 66.573 25.151 28.888 1.00 1.00 H new ATOM 0 HB2 MET A 44 65.470 22.883 28.561 1.00 1.00 H new ATOM 0 HB3 MET A 44 64.019 23.701 28.015 1.00 1.00 H new ATOM 0 HG2 MET A 44 65.110 24.534 26.039 1.00 1.00 H new ATOM 0 HG3 MET A 44 66.697 24.094 26.639 1.00 1.00 H new ATOM 0 HE1 MET A 44 66.734 21.852 23.730 1.00 1.00 H new ATOM 0 HE2 MET A 44 66.278 23.557 23.961 1.00 1.00 H new ATOM 0 HE3 MET A 44 67.642 22.868 24.874 1.00 1.00 H new ATOM 706 N LYS A 45 63.623 26.523 28.527 1.00 1.00 N ATOM 707 CA LYS A 45 62.969 27.744 28.157 1.00 1.00 C ATOM 708 C LYS A 45 63.595 28.945 28.799 1.00 1.00 C ATOM 709 O LYS A 45 63.853 29.954 28.146 1.00 1.00 O ATOM 710 CB LYS A 45 61.468 27.578 28.455 1.00 1.00 C ATOM 711 CG LYS A 45 60.513 28.592 27.814 1.00 1.00 C ATOM 712 CD LYS A 45 60.366 29.928 28.551 1.00 1.00 C ATOM 713 CE LYS A 45 59.900 29.787 30.002 1.00 1.00 C ATOM 714 NZ LYS A 45 59.679 31.125 30.590 1.00 1.00 N ATOM 0 H LYS A 45 63.014 25.878 29.031 1.00 1.00 H new ATOM 0 HA LYS A 45 63.092 27.936 27.091 1.00 1.00 H new ATOM 0 HB2 LYS A 45 61.168 26.581 28.134 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.331 27.620 29.536 1.00 1.00 H new ATOM 0 HG2 LYS A 45 60.856 28.794 26.799 1.00 1.00 H new ATOM 0 HG3 LYS A 45 59.528 28.133 27.732 1.00 1.00 H new ATOM 0 HD2 LYS A 45 61.324 30.447 28.536 1.00 1.00 H new ATOM 0 HD3 LYS A 45 59.656 30.554 28.011 1.00 1.00 H new ATOM 0 HE2 LYS A 45 58.979 29.205 30.043 1.00 1.00 H new ATOM 0 HE3 LYS A 45 60.646 29.244 30.582 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 59.235 31.024 31.525 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 60.591 31.615 30.690 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 59.055 31.678 29.969 1.00 1.00 H new ATOM 728 N ALA A 46 63.966 28.855 30.091 1.00 1.00 N ATOM 729 CA ALA A 46 64.705 29.880 30.771 1.00 1.00 C ATOM 730 C ALA A 46 66.064 30.170 30.202 1.00 1.00 C ATOM 731 O ALA A 46 66.490 31.322 30.139 1.00 1.00 O ATOM 732 CB ALA A 46 64.813 29.555 32.271 1.00 1.00 C ATOM 0 H ALA A 46 63.747 28.050 30.679 1.00 1.00 H new ATOM 0 HA ALA A 46 64.131 30.794 30.619 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.376 30.341 32.774 1.00 1.00 H new ATOM 0 HB2 ALA A 46 63.814 29.491 32.702 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.326 28.602 32.401 1.00 1.00 H new ATOM 738 N TYR A 47 66.802 29.151 29.720 1.00 1.00 N ATOM 739 CA TYR A 47 68.060 29.290 29.037 1.00 1.00 C ATOM 740 C TYR A 47 67.944 30.132 27.804 1.00 1.00 C ATOM 741 O TYR A 47 68.746 31.030 27.553 1.00 1.00 O ATOM 742 CB TYR A 47 68.607 27.904 28.627 1.00 1.00 C ATOM 743 CG TYR A 47 70.024 27.841 28.154 1.00 1.00 C ATOM 744 CD1 TYR A 47 71.001 28.735 28.558 1.00 1.00 C ATOM 745 CD2 TYR A 47 70.393 26.807 27.309 1.00 1.00 C ATOM 746 CE1 TYR A 47 72.316 28.587 28.153 1.00 1.00 C ATOM 747 CE2 TYR A 47 71.699 26.665 26.874 1.00 1.00 C ATOM 748 CZ TYR A 47 72.665 27.554 27.306 1.00 1.00 C ATOM 749 OH TYR A 47 74.004 27.467 26.868 1.00 1.00 O ATOM 0 H TYR A 47 66.508 28.178 29.810 1.00 1.00 H new ATOM 0 HA TYR A 47 68.740 29.780 29.734 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.506 27.235 29.481 1.00 1.00 H new ATOM 0 HB3 TYR A 47 67.969 27.510 27.836 1.00 1.00 H new ATOM 0 HD1 TYR A 47 70.733 29.561 29.200 1.00 1.00 H new ATOM 0 HD2 TYR A 47 69.647 26.098 26.983 1.00 1.00 H new ATOM 0 HE1 TYR A 47 73.069 29.279 28.499 1.00 1.00 H new ATOM 0 HE2 TYR A 47 71.962 25.863 26.200 1.00 1.00 H new ATOM 0 HH TYR A 47 74.105 26.691 26.278 1.00 1.00 H new ATOM 759 N CYS A 48 66.881 29.894 27.016 1.00 1.00 N ATOM 760 CA CYS A 48 66.570 30.613 25.814 1.00 1.00 C ATOM 761 C CYS A 48 66.306 32.065 26.053 1.00 1.00 C ATOM 762 O CYS A 48 66.790 32.919 25.311 1.00 1.00 O ATOM 763 CB CYS A 48 65.372 29.993 25.069 1.00 1.00 C ATOM 764 SG CYS A 48 65.689 28.271 24.575 1.00 1.00 S ATOM 0 H CYS A 48 66.202 29.163 27.226 1.00 1.00 H new ATOM 0 HA CYS A 48 67.462 30.531 25.192 1.00 1.00 H new ATOM 0 HB2 CYS A 48 64.490 30.030 25.708 1.00 1.00 H new ATOM 0 HB3 CYS A 48 65.149 30.588 24.184 1.00 1.00 H new ATOM 0 HG CYS A 48 65.701 27.512 25.630 1.00 1.00 H new ATOM 770 N GLU A 49 65.558 32.402 27.119 1.00 1.00 N ATOM 771 CA GLU A 49 65.304 33.758 27.512 1.00 1.00 C ATOM 772 C GLU A 49 66.525 34.477 27.997 1.00 1.00 C ATOM 773 O GLU A 49 66.861 35.546 27.489 1.00 1.00 O ATOM 774 CB GLU A 49 64.212 33.788 28.600 1.00 1.00 C ATOM 775 CG GLU A 49 62.833 33.332 28.101 1.00 1.00 C ATOM 776 CD GLU A 49 61.781 33.368 29.198 1.00 1.00 C ATOM 777 OE1 GLU A 49 61.866 32.560 30.159 1.00 1.00 O ATOM 778 OE2 GLU A 49 60.835 34.198 29.122 1.00 1.00 O ATOM 0 H GLU A 49 65.116 31.713 27.727 1.00 1.00 H new ATOM 0 HA GLU A 49 64.968 34.285 26.619 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.519 33.149 29.428 1.00 1.00 H new ATOM 0 HB3 GLU A 49 64.130 34.802 28.993 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.517 33.972 27.277 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.909 32.319 27.707 1.00 1.00 H new ATOM 785 N ARG A 50 67.275 33.896 28.953 1.00 1.00 N ATOM 786 CA ARG A 50 68.407 34.527 29.574 1.00 1.00 C ATOM 787 C ARG A 50 69.607 34.679 28.697 1.00 1.00 C ATOM 788 O ARG A 50 70.297 35.697 28.724 1.00 1.00 O ATOM 789 CB ARG A 50 68.823 33.842 30.893 1.00 1.00 C ATOM 790 CG ARG A 50 67.997 34.341 32.085 1.00 1.00 C ATOM 791 CD ARG A 50 66.671 33.602 32.267 1.00 1.00 C ATOM 792 NE ARG A 50 65.894 34.310 33.326 1.00 1.00 N ATOM 793 CZ ARG A 50 64.646 34.810 33.143 1.00 1.00 C ATOM 794 NH1 ARG A 50 64.148 35.049 31.908 1.00 1.00 N ATOM 795 NH2 ARG A 50 63.886 35.126 34.219 1.00 1.00 N ATOM 0 H ARG A 50 67.090 32.957 29.307 1.00 1.00 H new ATOM 0 HA ARG A 50 68.041 35.532 29.786 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.703 32.763 30.795 1.00 1.00 H new ATOM 0 HB3 ARG A 50 69.880 34.029 31.081 1.00 1.00 H new ATOM 0 HG2 ARG A 50 68.589 34.237 32.995 1.00 1.00 H new ATOM 0 HG3 ARG A 50 67.795 35.404 31.956 1.00 1.00 H new ATOM 0 HD2 ARG A 50 66.112 33.584 31.331 1.00 1.00 H new ATOM 0 HD3 ARG A 50 66.848 32.565 32.552 1.00 1.00 H new ATOM 0 HE ARG A 50 66.327 34.425 34.242 1.00 1.00 H new ATOM 0 HH11 ARG A 50 64.715 34.853 31.083 1.00 1.00 H new ATOM 0 HH12 ARG A 50 63.206 35.425 31.802 1.00 1.00 H new ATOM 0 HH21 ARG A 50 64.253 34.988 35.161 1.00 1.00 H new ATOM 0 HH22 ARG A 50 62.947 35.502 34.087 1.00 1.00 H new ATOM 809 N GLN A 51 69.920 33.654 27.886 1.00 1.00 N ATOM 810 CA GLN A 51 71.157 33.576 27.165 1.00 1.00 C ATOM 811 C GLN A 51 70.970 33.730 25.687 1.00 1.00 C ATOM 812 O GLN A 51 71.915 33.584 24.913 1.00 1.00 O ATOM 813 CB GLN A 51 71.851 32.267 27.593 1.00 1.00 C ATOM 814 CG GLN A 51 72.788 32.448 28.794 1.00 1.00 C ATOM 815 CD GLN A 51 74.032 33.244 28.419 1.00 1.00 C ATOM 816 OE1 GLN A 51 74.874 32.782 27.648 1.00 1.00 O ATOM 817 NE2 GLN A 51 74.173 34.470 28.985 1.00 1.00 N ATOM 0 H GLN A 51 69.301 32.859 27.726 1.00 1.00 H new ATOM 0 HA GLN A 51 71.808 34.414 27.415 1.00 1.00 H new ATOM 0 HB2 GLN A 51 71.092 31.524 27.840 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.421 31.873 26.751 1.00 1.00 H new ATOM 0 HG2 GLN A 51 72.257 32.959 29.597 1.00 1.00 H new ATOM 0 HG3 GLN A 51 73.082 31.471 29.177 1.00 1.00 H new ATOM 0 HE21 GLN A 51 73.457 34.824 29.620 1.00 1.00 H new ATOM 0 HE22 GLN A 51 74.995 35.037 28.775 1.00 1.00 H new ATOM 826 N GLY A 52 69.758 34.115 25.240 1.00 1.00 N ATOM 827 CA GLY A 52 69.505 34.602 23.911 1.00 1.00 C ATOM 828 C GLY A 52 69.498 33.572 22.830 1.00 1.00 C ATOM 829 O GLY A 52 70.105 33.760 21.776 1.00 1.00 O ATOM 0 H GLY A 52 68.922 34.087 25.824 1.00 1.00 H new ATOM 0 HA2 GLY A 52 68.541 35.110 23.908 1.00 1.00 H new ATOM 0 HA3 GLY A 52 70.260 35.350 23.669 1.00 1.00 H new ATOM 833 N LEU A 53 68.840 32.425 23.072 1.00 1.00 N ATOM 834 CA LEU A 53 68.928 31.268 22.229 1.00 1.00 C ATOM 835 C LEU A 53 67.606 30.925 21.620 1.00 1.00 C ATOM 836 O LEU A 53 66.546 31.342 22.089 1.00 1.00 O ATOM 837 CB LEU A 53 69.456 30.041 22.997 1.00 1.00 C ATOM 838 CG LEU A 53 70.763 30.296 23.770 1.00 1.00 C ATOM 839 CD1 LEU A 53 71.163 29.045 24.565 1.00 1.00 C ATOM 840 CD2 LEU A 53 71.918 30.726 22.850 1.00 1.00 C ATOM 0 H LEU A 53 68.228 32.296 23.877 1.00 1.00 H new ATOM 0 HA LEU A 53 69.631 31.524 21.437 1.00 1.00 H new ATOM 0 HB2 LEU A 53 68.691 29.708 23.699 1.00 1.00 H new ATOM 0 HB3 LEU A 53 69.617 29.226 22.291 1.00 1.00 H new ATOM 0 HG LEU A 53 70.571 31.121 24.456 1.00 1.00 H new ATOM 0 HD11 LEU A 53 72.089 29.239 25.107 1.00 1.00 H new ATOM 0 HD12 LEU A 53 70.373 28.796 25.274 1.00 1.00 H new ATOM 0 HD13 LEU A 53 71.312 28.211 23.880 1.00 1.00 H new ATOM 0 HD21 LEU A 53 72.815 30.893 23.446 1.00 1.00 H new ATOM 0 HD22 LEU A 53 72.110 29.943 22.117 1.00 1.00 H new ATOM 0 HD23 LEU A 53 71.649 31.648 22.334 1.00 1.00 H new ATOM 852 N SER A 54 67.621 30.143 20.525 1.00 1.00 N ATOM 853 CA SER A 54 66.434 29.648 19.889 1.00 1.00 C ATOM 854 C SER A 54 66.236 28.215 20.271 1.00 1.00 C ATOM 855 O SER A 54 67.160 27.405 20.252 1.00 1.00 O ATOM 856 CB SER A 54 66.492 29.790 18.358 1.00 1.00 C ATOM 857 OG SER A 54 66.346 31.154 17.982 1.00 1.00 O ATOM 0 H SER A 54 68.482 29.845 20.067 1.00 1.00 H new ATOM 0 HA SER A 54 65.590 30.247 20.230 1.00 1.00 H new ATOM 0 HB2 SER A 54 67.441 29.403 17.986 1.00 1.00 H new ATOM 0 HB3 SER A 54 65.703 29.193 17.901 1.00 1.00 H new ATOM 0 HG SER A 54 66.386 31.230 17.006 1.00 1.00 H new ATOM 863 N MET A 55 64.997 27.840 20.635 1.00 1.00 N ATOM 864 CA MET A 55 64.618 26.633 21.314 1.00 1.00 C ATOM 865 C MET A 55 64.938 25.383 20.560 1.00 1.00 C ATOM 866 O MET A 55 65.351 24.359 21.105 1.00 1.00 O ATOM 867 CB MET A 55 63.100 26.699 21.573 1.00 1.00 C ATOM 868 CG MET A 55 62.467 25.442 22.180 1.00 1.00 C ATOM 869 SD MET A 55 63.199 24.922 23.760 1.00 1.00 S ATOM 870 CE MET A 55 62.403 26.209 24.762 1.00 1.00 C ATOM 0 H MET A 55 64.190 28.431 20.438 1.00 1.00 H new ATOM 0 HA MET A 55 65.196 26.579 22.237 1.00 1.00 H new ATOM 0 HB2 MET A 55 62.901 27.539 22.238 1.00 1.00 H new ATOM 0 HB3 MET A 55 62.599 26.914 20.629 1.00 1.00 H new ATOM 0 HG2 MET A 55 61.402 25.621 22.328 1.00 1.00 H new ATOM 0 HG3 MET A 55 62.556 24.624 21.465 1.00 1.00 H new ATOM 0 HE1 MET A 55 62.544 25.986 25.820 1.00 1.00 H new ATOM 0 HE2 MET A 55 62.849 27.177 24.533 1.00 1.00 H new ATOM 0 HE3 MET A 55 61.337 26.239 24.536 1.00 1.00 H new ATOM 880 N ARG A 56 64.761 25.449 19.230 1.00 1.00 N ATOM 881 CA ARG A 56 64.938 24.330 18.354 1.00 1.00 C ATOM 882 C ARG A 56 66.304 24.307 17.739 1.00 1.00 C ATOM 883 O ARG A 56 66.643 23.403 16.975 1.00 1.00 O ATOM 884 CB ARG A 56 63.828 24.401 17.292 1.00 1.00 C ATOM 885 CG ARG A 56 63.868 25.666 16.426 1.00 1.00 C ATOM 886 CD ARG A 56 62.608 25.894 15.588 1.00 1.00 C ATOM 887 NE ARG A 56 61.510 26.300 16.513 1.00 1.00 N ATOM 888 CZ ARG A 56 60.644 27.327 16.316 1.00 1.00 C ATOM 889 NH1 ARG A 56 60.659 28.113 15.213 1.00 1.00 N ATOM 890 NH2 ARG A 56 59.733 27.577 17.288 1.00 1.00 N ATOM 0 H ARG A 56 64.487 26.305 18.748 1.00 1.00 H new ATOM 0 HA ARG A 56 64.862 23.399 18.915 1.00 1.00 H new ATOM 0 HB2 ARG A 56 63.904 23.528 16.644 1.00 1.00 H new ATOM 0 HB3 ARG A 56 62.860 24.345 17.790 1.00 1.00 H new ATOM 0 HG2 ARG A 56 64.022 26.530 17.072 1.00 1.00 H new ATOM 0 HG3 ARG A 56 64.729 25.609 15.759 1.00 1.00 H new ATOM 0 HD2 ARG A 56 62.782 26.667 14.840 1.00 1.00 H new ATOM 0 HD3 ARG A 56 62.338 24.985 15.050 1.00 1.00 H new ATOM 0 HE ARG A 56 61.400 25.758 17.370 1.00 1.00 H new ATOM 0 HH11 ARG A 56 61.346 27.946 14.477 1.00 1.00 H new ATOM 0 HH12 ARG A 56 59.984 28.871 15.118 1.00 1.00 H new ATOM 0 HH21 ARG A 56 59.715 27.002 18.130 1.00 1.00 H new ATOM 0 HH22 ARG A 56 59.065 28.340 17.177 1.00 1.00 H new ATOM 904 N GLN A 57 67.164 25.279 18.093 1.00 1.00 N ATOM 905 CA GLN A 57 68.519 25.367 17.633 1.00 1.00 C ATOM 906 C GLN A 57 69.489 24.897 18.674 1.00 1.00 C ATOM 907 O GLN A 57 70.688 24.780 18.421 1.00 1.00 O ATOM 908 CB GLN A 57 68.844 26.815 17.217 1.00 1.00 C ATOM 909 CG GLN A 57 68.121 27.218 15.924 1.00 1.00 C ATOM 910 CD GLN A 57 68.432 28.652 15.510 1.00 1.00 C ATOM 911 OE1 GLN A 57 69.413 29.277 15.914 1.00 1.00 O ATOM 912 NE2 GLN A 57 67.546 29.218 14.651 1.00 1.00 N ATOM 0 H GLN A 57 66.906 26.036 18.726 1.00 1.00 H new ATOM 0 HA GLN A 57 68.620 24.712 16.768 1.00 1.00 H new ATOM 0 HB2 GLN A 57 68.558 27.495 18.019 1.00 1.00 H new ATOM 0 HB3 GLN A 57 69.920 26.920 17.078 1.00 1.00 H new ATOM 0 HG2 GLN A 57 68.411 26.540 15.122 1.00 1.00 H new ATOM 0 HG3 GLN A 57 67.045 27.107 16.062 1.00 1.00 H new ATOM 0 HE21 GLN A 57 66.739 28.685 14.327 1.00 1.00 H new ATOM 0 HE22 GLN A 57 67.688 30.176 14.330 1.00 1.00 H new ATOM 921 N ILE A 58 68.997 24.551 19.877 1.00 1.00 N ATOM 922 CA ILE A 58 69.744 23.870 20.894 1.00 1.00 C ATOM 923 C ILE A 58 69.027 22.609 21.263 1.00 1.00 C ATOM 924 O ILE A 58 67.801 22.530 21.230 1.00 1.00 O ATOM 925 CB ILE A 58 69.983 24.691 22.135 1.00 1.00 C ATOM 926 CG1 ILE A 58 68.702 25.364 22.663 1.00 1.00 C ATOM 927 CG2 ILE A 58 71.075 25.732 21.821 1.00 1.00 C ATOM 928 CD1 ILE A 58 68.831 25.859 24.104 1.00 1.00 C ATOM 0 H ILE A 58 68.037 24.754 20.155 1.00 1.00 H new ATOM 0 HA ILE A 58 70.728 23.663 20.472 1.00 1.00 H new ATOM 0 HB ILE A 58 70.312 24.028 22.935 1.00 1.00 H new ATOM 0 HG12 ILE A 58 68.449 26.206 22.018 1.00 1.00 H new ATOM 0 HG13 ILE A 58 67.876 24.656 22.602 1.00 1.00 H new ATOM 0 HG21 ILE A 58 71.265 26.339 22.706 1.00 1.00 H new ATOM 0 HG22 ILE A 58 71.992 25.220 21.528 1.00 1.00 H new ATOM 0 HG23 ILE A 58 70.742 26.374 21.006 1.00 1.00 H new ATOM 0 HD11 ILE A 58 67.895 26.323 24.415 1.00 1.00 H new ATOM 0 HD12 ILE A 58 69.054 25.017 24.759 1.00 1.00 H new ATOM 0 HD13 ILE A 58 69.636 26.591 24.167 1.00 1.00 H new ATOM 940 N ARG A 59 69.774 21.544 21.607 1.00 1.00 N ATOM 941 CA ARG A 59 69.232 20.333 22.149 1.00 1.00 C ATOM 942 C ARG A 59 70.134 19.887 23.256 1.00 1.00 C ATOM 943 O ARG A 59 71.339 20.135 23.228 1.00 1.00 O ATOM 944 CB ARG A 59 69.153 19.199 21.108 1.00 1.00 C ATOM 945 CG ARG A 59 68.119 19.369 19.987 1.00 1.00 C ATOM 946 CD ARG A 59 66.655 19.141 20.379 1.00 1.00 C ATOM 947 NE ARG A 59 66.099 20.389 20.977 1.00 1.00 N ATOM 948 CZ ARG A 59 64.910 20.436 21.630 1.00 1.00 C ATOM 949 NH1 ARG A 59 64.155 19.323 21.796 1.00 1.00 N ATOM 950 NH2 ARG A 59 64.463 21.601 22.160 1.00 1.00 N ATOM 0 H ARG A 59 70.789 21.524 21.505 1.00 1.00 H new ATOM 0 HA ARG A 59 68.218 20.539 22.491 1.00 1.00 H new ATOM 0 HB2 ARG A 59 70.136 19.086 20.651 1.00 1.00 H new ATOM 0 HB3 ARG A 59 68.937 18.268 21.633 1.00 1.00 H new ATOM 0 HG2 ARG A 59 68.213 20.377 19.584 1.00 1.00 H new ATOM 0 HG3 ARG A 59 68.370 18.679 19.181 1.00 1.00 H new ATOM 0 HD2 ARG A 59 66.073 18.855 19.503 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.582 18.320 21.092 1.00 1.00 H new ATOM 0 HE ARG A 59 66.639 21.250 20.891 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.477 18.428 21.427 1.00 1.00 H new ATOM 0 HH12 ARG A 59 63.264 19.380 22.290 1.00 1.00 H new ATOM 0 HH21 ARG A 59 65.021 22.450 22.069 1.00 1.00 H new ATOM 0 HH22 ARG A 59 63.568 21.629 22.649 1.00 1.00 H new ATOM 964 N PHE A 60 69.587 19.223 24.289 1.00 1.00 N ATOM 965 CA PHE A 60 70.347 18.809 25.433 1.00 1.00 C ATOM 966 C PHE A 60 70.655 17.346 25.397 1.00 1.00 C ATOM 967 O PHE A 60 69.894 16.517 24.897 1.00 1.00 O ATOM 968 CB PHE A 60 69.627 19.135 26.756 1.00 1.00 C ATOM 969 CG PHE A 60 69.417 20.585 27.054 1.00 1.00 C ATOM 970 CD1 PHE A 60 70.060 21.625 26.403 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.566 20.889 28.101 1.00 1.00 C ATOM 972 CE1 PHE A 60 69.834 22.939 26.769 1.00 1.00 C ATOM 973 CE2 PHE A 60 68.340 22.198 28.484 1.00 1.00 C ATOM 974 CZ PHE A 60 68.968 23.227 27.806 1.00 1.00 C ATOM 0 H PHE A 60 68.600 18.968 24.334 1.00 1.00 H new ATOM 0 HA PHE A 60 71.279 19.372 25.390 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.654 18.643 26.747 1.00 1.00 H new ATOM 0 HB3 PHE A 60 70.199 18.696 27.574 1.00 1.00 H new ATOM 0 HD1 PHE A 60 70.747 21.407 25.599 1.00 1.00 H new ATOM 0 HD2 PHE A 60 68.069 20.089 28.629 1.00 1.00 H new ATOM 0 HE1 PHE A 60 70.334 23.740 26.245 1.00 1.00 H new ATOM 0 HE2 PHE A 60 67.677 22.416 29.308 1.00 1.00 H new ATOM 0 HZ PHE A 60 68.782 24.253 28.087 1.00 1.00 H new ATOM 984 N ARG A 61 71.826 16.983 25.950 1.00 1.00 N ATOM 985 CA ARG A 61 72.325 15.644 26.053 1.00 1.00 C ATOM 986 C ARG A 61 72.776 15.422 27.463 1.00 1.00 C ATOM 987 O ARG A 61 73.036 16.362 28.214 1.00 1.00 O ATOM 988 CB ARG A 61 73.549 15.406 25.143 1.00 1.00 C ATOM 989 CG ARG A 61 73.312 15.741 23.665 1.00 1.00 C ATOM 990 CD ARG A 61 74.446 15.356 22.708 1.00 1.00 C ATOM 991 NE ARG A 61 75.672 16.107 23.103 1.00 1.00 N ATOM 992 CZ ARG A 61 76.836 16.112 22.405 1.00 1.00 C ATOM 993 NH1 ARG A 61 76.982 15.590 21.164 1.00 1.00 N ATOM 994 NH2 ARG A 61 77.928 16.669 22.984 1.00 1.00 N ATOM 0 H ARG A 61 72.466 17.668 26.351 1.00 1.00 H new ATOM 0 HA ARG A 61 71.526 14.967 25.752 1.00 1.00 H new ATOM 0 HB2 ARG A 61 74.382 16.006 25.510 1.00 1.00 H new ATOM 0 HB3 ARG A 61 73.849 14.361 25.223 1.00 1.00 H new ATOM 0 HG2 ARG A 61 72.400 15.240 23.339 1.00 1.00 H new ATOM 0 HG3 ARG A 61 73.135 16.813 23.578 1.00 1.00 H new ATOM 0 HD2 ARG A 61 74.629 14.282 22.750 1.00 1.00 H new ATOM 0 HD3 ARG A 61 74.171 15.593 21.680 1.00 1.00 H new ATOM 0 HE ARG A 61 75.633 16.657 23.961 1.00 1.00 H new ATOM 0 HH11 ARG A 61 76.186 15.158 20.696 1.00 1.00 H new ATOM 0 HH12 ARG A 61 77.888 15.629 20.698 1.00 1.00 H new ATOM 0 HH21 ARG A 61 77.861 17.069 23.920 1.00 1.00 H new ATOM 0 HH22 ARG A 61 78.817 16.688 22.484 1.00 1.00 H new ATOM 1008 N PHE A 62 72.911 14.148 27.870 1.00 1.00 N ATOM 1009 CA PHE A 62 73.613 13.796 29.068 1.00 1.00 C ATOM 1010 C PHE A 62 74.432 12.580 28.772 1.00 1.00 C ATOM 1011 O PHE A 62 73.892 11.579 28.305 1.00 1.00 O ATOM 1012 CB PHE A 62 72.648 13.529 30.238 1.00 1.00 C ATOM 1013 CG PHE A 62 73.382 13.395 31.534 1.00 1.00 C ATOM 1014 CD1 PHE A 62 74.028 14.489 32.084 1.00 1.00 C ATOM 1015 CD2 PHE A 62 73.448 12.177 32.187 1.00 1.00 C ATOM 1016 CE1 PHE A 62 74.738 14.365 33.265 1.00 1.00 C ATOM 1017 CE2 PHE A 62 74.141 12.051 33.376 1.00 1.00 C ATOM 1018 CZ PHE A 62 74.793 13.145 33.913 1.00 1.00 C ATOM 0 H PHE A 62 72.529 13.350 27.362 1.00 1.00 H new ATOM 0 HA PHE A 62 74.250 14.625 29.375 1.00 1.00 H new ATOM 0 HB2 PHE A 62 71.927 14.343 30.309 1.00 1.00 H new ATOM 0 HB3 PHE A 62 72.082 12.618 30.043 1.00 1.00 H new ATOM 0 HD1 PHE A 62 73.977 15.447 31.587 1.00 1.00 H new ATOM 0 HD2 PHE A 62 72.953 11.316 31.763 1.00 1.00 H new ATOM 0 HE1 PHE A 62 75.249 15.221 33.681 1.00 1.00 H new ATOM 0 HE2 PHE A 62 74.173 11.099 33.885 1.00 1.00 H new ATOM 0 HZ PHE A 62 75.344 13.047 34.837 1.00 1.00 H new ATOM 1028 N ASP A 63 75.759 12.617 28.994 1.00 1.00 N ATOM 1029 CA ASP A 63 76.667 11.517 28.820 1.00 1.00 C ATOM 1030 C ASP A 63 76.701 10.940 27.435 1.00 1.00 C ATOM 1031 O ASP A 63 76.943 9.754 27.215 1.00 1.00 O ATOM 1032 CB ASP A 63 76.418 10.497 29.951 1.00 1.00 C ATOM 1033 CG ASP A 63 77.566 9.535 30.196 1.00 1.00 C ATOM 1034 OD1 ASP A 63 78.749 9.966 30.177 1.00 1.00 O ATOM 1035 OD2 ASP A 63 77.308 8.335 30.485 1.00 1.00 O ATOM 0 H ASP A 63 76.228 13.464 29.314 1.00 1.00 H new ATOM 0 HA ASP A 63 77.688 11.888 28.911 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.213 11.040 30.874 1.00 1.00 H new ATOM 0 HB3 ASP A 63 75.523 9.922 29.714 1.00 1.00 H new ATOM 1040 N GLY A 64 76.491 11.785 26.408 1.00 1.00 N ATOM 1041 CA GLY A 64 76.368 11.362 25.042 1.00 1.00 C ATOM 1042 C GLY A 64 75.034 10.824 24.638 1.00 1.00 C ATOM 1043 O GLY A 64 74.900 10.290 23.538 1.00 1.00 O ATOM 0 H GLY A 64 76.404 12.794 26.530 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.606 12.209 24.398 1.00 1.00 H new ATOM 0 HA3 GLY A 64 77.119 10.596 24.851 1.00 1.00 H new ATOM 1047 N GLN A 65 74.002 10.925 25.496 1.00 1.00 N ATOM 1048 CA GLN A 65 72.717 10.320 25.296 1.00 1.00 C ATOM 1049 C GLN A 65 71.691 11.407 25.194 1.00 1.00 C ATOM 1050 O GLN A 65 71.826 12.395 25.916 1.00 1.00 O ATOM 1051 CB GLN A 65 72.357 9.439 26.510 1.00 1.00 C ATOM 1052 CG GLN A 65 73.466 8.467 26.939 1.00 1.00 C ATOM 1053 CD GLN A 65 73.335 7.994 28.383 1.00 1.00 C ATOM 1054 OE1 GLN A 65 73.499 6.814 28.696 1.00 1.00 O ATOM 1055 NE2 GLN A 65 73.102 8.948 29.320 1.00 1.00 N ATOM 0 H GLN A 65 74.064 11.451 26.368 1.00 1.00 H new ATOM 0 HA GLN A 65 72.740 9.713 24.391 1.00 1.00 H new ATOM 0 HB2 GLN A 65 72.111 10.085 27.353 1.00 1.00 H new ATOM 0 HB3 GLN A 65 71.460 8.867 26.275 1.00 1.00 H new ATOM 0 HG2 GLN A 65 73.454 7.600 26.278 1.00 1.00 H new ATOM 0 HG3 GLN A 65 74.433 8.952 26.810 1.00 1.00 H new ATOM 0 HE21 GLN A 65 72.969 9.919 29.037 1.00 1.00 H new ATOM 0 HE22 GLN A 65 73.060 8.694 30.307 1.00 1.00 H new ATOM 1064 N PRO A 66 70.674 11.359 24.374 1.00 1.00 N ATOM 1065 CA PRO A 66 69.636 12.358 24.369 1.00 1.00 C ATOM 1066 C PRO A 66 68.707 12.217 25.535 1.00 1.00 C ATOM 1067 O PRO A 66 68.391 11.103 25.948 1.00 1.00 O ATOM 1068 CB PRO A 66 68.917 12.126 23.040 1.00 1.00 C ATOM 1069 CG PRO A 66 69.075 10.621 22.781 1.00 1.00 C ATOM 1070 CD PRO A 66 70.462 10.328 23.367 1.00 1.00 C ATOM 0 HA PRO A 66 70.034 13.368 24.463 1.00 1.00 H new ATOM 0 HB2 PRO A 66 67.867 12.411 23.101 1.00 1.00 H new ATOM 0 HB3 PRO A 66 69.362 12.716 22.239 1.00 1.00 H new ATOM 0 HG2 PRO A 66 68.295 10.040 23.274 1.00 1.00 H new ATOM 0 HG3 PRO A 66 69.025 10.385 21.718 1.00 1.00 H new ATOM 0 HD2 PRO A 66 70.501 9.332 23.808 1.00 1.00 H new ATOM 0 HD3 PRO A 66 71.232 10.366 22.596 1.00 1.00 H new ATOM 1078 N ILE A 67 68.249 13.346 26.107 1.00 1.00 N ATOM 1079 CA ILE A 67 67.332 13.416 27.208 1.00 1.00 C ATOM 1080 C ILE A 67 66.103 14.100 26.697 1.00 1.00 C ATOM 1081 O ILE A 67 66.191 14.981 25.842 1.00 1.00 O ATOM 1082 CB ILE A 67 67.895 14.159 28.395 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.543 15.502 28.005 1.00 1.00 C ATOM 1084 CG2 ILE A 67 68.895 13.242 29.124 1.00 1.00 C ATOM 1085 CD1 ILE A 67 69.175 16.254 29.178 1.00 1.00 C ATOM 0 H ILE A 67 68.537 14.269 25.781 1.00 1.00 H new ATOM 0 HA ILE A 67 67.119 12.410 27.568 1.00 1.00 H new ATOM 0 HB ILE A 67 67.073 14.414 29.063 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.308 15.319 27.250 1.00 1.00 H new ATOM 0 HG13 ILE A 67 67.787 16.138 27.545 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.310 13.767 29.984 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.383 12.341 29.461 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.701 12.968 28.443 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.609 17.188 28.820 1.00 1.00 H new ATOM 0 HD12 ILE A 67 68.411 16.471 29.925 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.956 15.639 29.626 1.00 1.00 H new ATOM 1097 N ASN A 68 64.888 13.718 27.136 1.00 1.00 N ATOM 1098 CA ASN A 68 63.697 14.259 26.542 1.00 1.00 C ATOM 1099 C ASN A 68 63.292 15.506 27.263 1.00 1.00 C ATOM 1100 O ASN A 68 63.582 15.676 28.444 1.00 1.00 O ATOM 1101 CB ASN A 68 62.507 13.282 26.575 1.00 1.00 C ATOM 1102 CG ASN A 68 62.873 11.962 25.910 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.036 11.873 24.693 1.00 1.00 O ATOM 1104 ND2 ASN A 68 62.958 10.879 26.725 1.00 1.00 N ATOM 0 H ASN A 68 64.728 13.047 27.888 1.00 1.00 H new ATOM 0 HA ASN A 68 63.941 14.461 25.499 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.206 13.103 27.607 1.00 1.00 H new ATOM 0 HB3 ASN A 68 61.652 13.726 26.066 1.00 1.00 H new ATOM 0 HD21 ASN A 68 63.162 9.960 26.332 1.00 1.00 H new ATOM 0 HD22 ASN A 68 62.818 10.985 27.730 1.00 1.00 H new ATOM 1111 N GLU A 69 62.564 16.443 26.633 1.00 1.00 N ATOM 1112 CA GLU A 69 62.115 17.644 27.281 1.00 1.00 C ATOM 1113 C GLU A 69 61.210 17.435 28.456 1.00 1.00 C ATOM 1114 O GLU A 69 61.195 18.226 29.397 1.00 1.00 O ATOM 1115 CB GLU A 69 61.506 18.591 26.230 1.00 1.00 C ATOM 1116 CG GLU A 69 62.618 19.451 25.616 1.00 1.00 C ATOM 1117 CD GLU A 69 62.272 19.963 24.227 1.00 1.00 C ATOM 1118 OE1 GLU A 69 61.984 19.116 23.340 1.00 1.00 O ATOM 1119 OE2 GLU A 69 62.343 21.192 23.970 1.00 1.00 O ATOM 0 H GLU A 69 62.280 16.370 25.656 1.00 1.00 H new ATOM 0 HA GLU A 69 62.995 18.106 27.728 1.00 1.00 H new ATOM 0 HB2 GLU A 69 61.005 18.015 25.452 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.751 19.228 26.692 1.00 1.00 H new ATOM 0 HG2 GLU A 69 62.818 20.299 26.271 1.00 1.00 H new ATOM 0 HG3 GLU A 69 63.536 18.866 25.564 1.00 1.00 H new ATOM 1126 N THR A 70 60.462 16.317 28.462 1.00 1.00 N ATOM 1127 CA THR A 70 59.586 15.937 29.535 1.00 1.00 C ATOM 1128 C THR A 70 60.252 14.987 30.487 1.00 1.00 C ATOM 1129 O THR A 70 59.645 14.512 31.447 1.00 1.00 O ATOM 1130 CB THR A 70 58.287 15.385 29.002 1.00 1.00 C ATOM 1131 OG1 THR A 70 57.839 16.161 27.899 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.155 15.470 30.037 1.00 1.00 C ATOM 0 H THR A 70 60.465 15.649 27.691 1.00 1.00 H new ATOM 0 HA THR A 70 59.350 16.836 30.105 1.00 1.00 H new ATOM 0 HB THR A 70 58.492 14.349 28.733 1.00 1.00 H new ATOM 0 HG1 THR A 70 56.996 15.792 27.560 1.00 1.00 H new ATOM 0 HG21 THR A 70 56.239 15.061 29.609 1.00 1.00 H new ATOM 0 HG22 THR A 70 57.429 14.897 30.923 1.00 1.00 H new ATOM 0 HG23 THR A 70 56.993 16.512 30.314 1.00 1.00 H new ATOM 1140 N ASP A 71 61.558 14.696 30.324 1.00 1.00 N ATOM 1141 CA ASP A 71 62.391 14.055 31.301 1.00 1.00 C ATOM 1142 C ASP A 71 62.737 15.014 32.402 1.00 1.00 C ATOM 1143 O ASP A 71 62.362 16.187 32.385 1.00 1.00 O ATOM 1144 CB ASP A 71 63.663 13.444 30.682 1.00 1.00 C ATOM 1145 CG ASP A 71 63.436 12.208 29.826 1.00 1.00 C ATOM 1146 OD1 ASP A 71 62.314 11.639 29.764 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.437 11.762 29.205 1.00 1.00 O ATOM 0 H ASP A 71 62.060 14.920 29.465 1.00 1.00 H new ATOM 0 HA ASP A 71 61.820 13.227 31.720 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.152 14.204 30.073 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.352 13.188 31.486 1.00 1.00 H new ATOM 1152 N THR A 72 63.428 14.557 33.463 1.00 1.00 N ATOM 1153 CA THR A 72 63.315 15.186 34.755 1.00 1.00 C ATOM 1154 C THR A 72 64.567 15.058 35.568 1.00 1.00 C ATOM 1155 O THR A 72 65.393 14.194 35.274 1.00 1.00 O ATOM 1156 CB THR A 72 62.168 14.728 35.628 1.00 1.00 C ATOM 1157 OG1 THR A 72 62.302 13.395 36.099 1.00 1.00 O ATOM 1158 CG2 THR A 72 60.810 14.810 34.912 1.00 1.00 C ATOM 0 H THR A 72 64.062 13.758 33.433 1.00 1.00 H new ATOM 0 HA THR A 72 63.120 16.221 34.474 1.00 1.00 H new ATOM 0 HB THR A 72 62.204 15.418 36.471 1.00 1.00 H new ATOM 0 HG1 THR A 72 61.529 13.166 36.656 1.00 1.00 H new ATOM 0 HG21 THR A 72 60.023 14.469 35.585 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.615 15.841 34.618 1.00 1.00 H new ATOM 0 HG23 THR A 72 60.828 14.177 34.025 1.00 1.00 H new ATOM 1166 N PRO A 73 64.764 15.830 36.609 1.00 1.00 N ATOM 1167 CA PRO A 73 65.774 15.589 37.607 1.00 1.00 C ATOM 1168 C PRO A 73 65.710 14.271 38.307 1.00 1.00 C ATOM 1169 O PRO A 73 66.758 13.761 38.695 1.00 1.00 O ATOM 1170 CB PRO A 73 65.590 16.708 38.632 1.00 1.00 C ATOM 1171 CG PRO A 73 65.070 17.880 37.790 1.00 1.00 C ATOM 1172 CD PRO A 73 64.180 17.155 36.772 1.00 1.00 C ATOM 0 HA PRO A 73 66.742 15.570 37.107 1.00 1.00 H new ATOM 0 HB2 PRO A 73 64.881 16.427 39.411 1.00 1.00 H new ATOM 0 HB3 PRO A 73 66.528 16.956 39.129 1.00 1.00 H new ATOM 0 HG2 PRO A 73 64.508 18.597 38.388 1.00 1.00 H new ATOM 0 HG3 PRO A 73 65.879 18.430 37.309 1.00 1.00 H new ATOM 0 HD2 PRO A 73 63.152 17.088 37.128 1.00 1.00 H new ATOM 0 HD3 PRO A 73 64.154 17.691 35.823 1.00 1.00 H new ATOM 1180 N ALA A 74 64.510 13.711 38.543 1.00 1.00 N ATOM 1181 CA ALA A 74 64.348 12.410 39.124 1.00 1.00 C ATOM 1182 C ALA A 74 64.769 11.304 38.209 1.00 1.00 C ATOM 1183 O ALA A 74 65.450 10.353 38.591 1.00 1.00 O ATOM 1184 CB ALA A 74 62.859 12.192 39.438 1.00 1.00 C ATOM 0 H ALA A 74 63.627 14.173 38.325 1.00 1.00 H new ATOM 0 HA ALA A 74 64.977 12.381 40.014 1.00 1.00 H new ATOM 0 HB1 ALA A 74 62.721 11.206 39.881 1.00 1.00 H new ATOM 0 HB2 ALA A 74 62.519 12.955 40.139 1.00 1.00 H new ATOM 0 HB3 ALA A 74 62.279 12.261 38.518 1.00 1.00 H new ATOM 1190 N GLN A 75 64.355 11.399 36.933 1.00 1.00 N ATOM 1191 CA GLN A 75 64.627 10.433 35.910 1.00 1.00 C ATOM 1192 C GLN A 75 66.074 10.360 35.533 1.00 1.00 C ATOM 1193 O GLN A 75 66.638 9.273 35.417 1.00 1.00 O ATOM 1194 CB GLN A 75 63.770 10.751 34.672 1.00 1.00 C ATOM 1195 CG GLN A 75 62.291 10.362 34.804 1.00 1.00 C ATOM 1196 CD GLN A 75 61.483 10.770 33.578 1.00 1.00 C ATOM 1197 OE1 GLN A 75 60.453 11.440 33.650 1.00 1.00 O ATOM 1198 NE2 GLN A 75 61.966 10.354 32.379 1.00 1.00 N ATOM 0 H GLN A 75 63.803 12.188 36.597 1.00 1.00 H new ATOM 0 HA GLN A 75 64.368 9.454 36.313 1.00 1.00 H new ATOM 0 HB2 GLN A 75 63.834 11.819 34.466 1.00 1.00 H new ATOM 0 HB3 GLN A 75 64.193 10.234 33.811 1.00 1.00 H new ATOM 0 HG2 GLN A 75 62.211 9.285 34.949 1.00 1.00 H new ATOM 0 HG3 GLN A 75 61.869 10.835 35.691 1.00 1.00 H new ATOM 0 HE21 GLN A 75 62.821 9.799 32.338 1.00 1.00 H new ATOM 0 HE22 GLN A 75 61.474 10.596 31.519 1.00 1.00 H new ATOM 1207 N LEU A 76 66.751 11.511 35.367 1.00 1.00 N ATOM 1208 CA LEU A 76 68.130 11.526 34.969 1.00 1.00 C ATOM 1209 C LEU A 76 69.066 11.518 36.138 1.00 1.00 C ATOM 1210 O LEU A 76 70.274 11.324 36.008 1.00 1.00 O ATOM 1211 CB LEU A 76 68.340 12.814 34.152 1.00 1.00 C ATOM 1212 CG LEU A 76 69.671 12.922 33.389 1.00 1.00 C ATOM 1213 CD1 LEU A 76 69.789 11.821 32.322 1.00 1.00 C ATOM 1214 CD2 LEU A 76 69.799 14.319 32.763 1.00 1.00 C ATOM 0 H LEU A 76 66.344 12.436 35.508 1.00 1.00 H new ATOM 0 HA LEU A 76 68.348 10.627 34.392 1.00 1.00 H new ATOM 0 HB2 LEU A 76 67.525 12.901 33.434 1.00 1.00 H new ATOM 0 HB3 LEU A 76 68.262 13.666 34.828 1.00 1.00 H new ATOM 0 HG LEU A 76 70.491 12.779 34.093 1.00 1.00 H new ATOM 0 HD11 LEU A 76 70.740 11.922 31.798 1.00 1.00 H new ATOM 0 HD12 LEU A 76 69.741 10.843 32.801 1.00 1.00 H new ATOM 0 HD13 LEU A 76 68.970 11.916 31.609 1.00 1.00 H new ATOM 0 HD21 LEU A 76 70.743 14.391 32.224 1.00 1.00 H new ATOM 0 HD22 LEU A 76 68.973 14.485 32.072 1.00 1.00 H new ATOM 0 HD23 LEU A 76 69.772 15.074 33.549 1.00 1.00 H new ATOM 1226 N GLU A 77 68.508 11.675 37.352 1.00 1.00 N ATOM 1227 CA GLU A 77 69.193 11.733 38.612 1.00 1.00 C ATOM 1228 C GLU A 77 70.145 12.884 38.751 1.00 1.00 C ATOM 1229 O GLU A 77 71.258 12.737 39.251 1.00 1.00 O ATOM 1230 CB GLU A 77 69.800 10.378 39.031 1.00 1.00 C ATOM 1231 CG GLU A 77 68.755 9.258 39.122 1.00 1.00 C ATOM 1232 CD GLU A 77 69.320 7.915 39.559 1.00 1.00 C ATOM 1233 OE1 GLU A 77 70.528 7.636 39.344 1.00 1.00 O ATOM 1234 OE2 GLU A 77 68.537 7.093 40.109 1.00 1.00 O ATOM 0 H GLU A 77 67.498 11.769 37.462 1.00 1.00 H new ATOM 0 HA GLU A 77 68.411 11.948 39.341 1.00 1.00 H new ATOM 0 HB2 GLU A 77 70.569 10.093 38.313 1.00 1.00 H new ATOM 0 HB3 GLU A 77 70.291 10.489 39.998 1.00 1.00 H new ATOM 0 HG2 GLU A 77 67.977 9.558 39.824 1.00 1.00 H new ATOM 0 HG3 GLU A 77 68.279 9.140 38.149 1.00 1.00 H new ATOM 1241 N MET A 78 69.725 14.099 38.346 1.00 1.00 N ATOM 1242 CA MET A 78 70.396 15.351 38.532 1.00 1.00 C ATOM 1243 C MET A 78 70.626 15.679 39.974 1.00 1.00 C ATOM 1244 O MET A 78 69.881 15.257 40.857 1.00 1.00 O ATOM 1245 CB MET A 78 69.593 16.507 37.907 1.00 1.00 C ATOM 1246 CG MET A 78 69.367 16.407 36.394 1.00 1.00 C ATOM 1247 SD MET A 78 68.328 17.773 35.793 1.00 1.00 S ATOM 1248 CE MET A 78 67.908 17.077 34.169 1.00 1.00 C ATOM 0 H MET A 78 68.843 14.213 37.847 1.00 1.00 H new ATOM 0 HA MET A 78 71.361 15.240 38.038 1.00 1.00 H new ATOM 0 HB2 MET A 78 68.622 16.561 38.400 1.00 1.00 H new ATOM 0 HB3 MET A 78 70.110 17.443 38.119 1.00 1.00 H new ATOM 0 HG2 MET A 78 70.327 16.423 35.878 1.00 1.00 H new ATOM 0 HG3 MET A 78 68.893 15.454 36.157 1.00 1.00 H new ATOM 0 HE1 MET A 78 67.058 17.616 33.751 1.00 1.00 H new ATOM 0 HE2 MET A 78 68.763 17.173 33.500 1.00 1.00 H new ATOM 0 HE3 MET A 78 67.651 16.024 34.280 1.00 1.00 H new ATOM 1258 N GLU A 79 71.691 16.442 40.268 1.00 1.00 N ATOM 1259 CA GLU A 79 72.145 16.677 41.606 1.00 1.00 C ATOM 1260 C GLU A 79 72.112 18.145 41.882 1.00 1.00 C ATOM 1261 O GLU A 79 71.760 18.957 41.030 1.00 1.00 O ATOM 1262 CB GLU A 79 73.558 16.095 41.802 1.00 1.00 C ATOM 1263 CG GLU A 79 73.579 14.567 41.658 1.00 1.00 C ATOM 1264 CD GLU A 79 74.969 13.999 41.890 1.00 1.00 C ATOM 1265 OE1 GLU A 79 75.834 14.120 40.983 1.00 1.00 O ATOM 1266 OE2 GLU A 79 75.221 13.432 42.985 1.00 1.00 O ATOM 0 H GLU A 79 72.254 16.910 39.558 1.00 1.00 H new ATOM 0 HA GLU A 79 71.486 16.175 42.315 1.00 1.00 H new ATOM 0 HB2 GLU A 79 74.236 16.537 41.072 1.00 1.00 H new ATOM 0 HB3 GLU A 79 73.929 16.371 42.789 1.00 1.00 H new ATOM 0 HG2 GLU A 79 72.882 14.125 42.370 1.00 1.00 H new ATOM 0 HG3 GLU A 79 73.235 14.291 40.661 1.00 1.00 H new ATOM 1273 N ASP A 80 72.467 18.531 43.120 1.00 1.00 N ATOM 1274 CA ASP A 80 72.433 19.855 43.669 1.00 1.00 C ATOM 1275 C ASP A 80 73.215 20.885 42.913 1.00 1.00 C ATOM 1276 O ASP A 80 72.855 22.061 42.931 1.00 1.00 O ATOM 1277 CB ASP A 80 72.709 19.825 45.186 1.00 1.00 C ATOM 1278 CG ASP A 80 74.064 19.245 45.556 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.418 18.137 45.074 1.00 1.00 O ATOM 1280 OD2 ASP A 80 74.816 19.893 46.333 1.00 1.00 O ATOM 0 H ASP A 80 72.810 17.853 43.800 1.00 1.00 H new ATOM 0 HA ASP A 80 71.413 20.214 43.534 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.640 20.840 45.578 1.00 1.00 H new ATOM 0 HB3 ASP A 80 71.929 19.241 45.675 1.00 1.00 H new ATOM 1285 N GLU A 81 74.268 20.465 42.186 1.00 1.00 N ATOM 1286 CA GLU A 81 74.876 21.236 41.140 1.00 1.00 C ATOM 1287 C GLU A 81 75.142 20.344 39.964 1.00 1.00 C ATOM 1288 O GLU A 81 76.247 19.826 39.812 1.00 1.00 O ATOM 1289 CB GLU A 81 76.178 21.930 41.593 1.00 1.00 C ATOM 1290 CG GLU A 81 75.966 22.960 42.713 1.00 1.00 C ATOM 1291 CD GLU A 81 77.201 23.770 43.078 1.00 1.00 C ATOM 1292 OE1 GLU A 81 78.273 23.623 42.433 1.00 1.00 O ATOM 1293 OE2 GLU A 81 77.119 24.606 44.019 1.00 1.00 O ATOM 0 H GLU A 81 74.712 19.558 42.330 1.00 1.00 H new ATOM 0 HA GLU A 81 74.182 22.029 40.863 1.00 1.00 H new ATOM 0 HB2 GLU A 81 76.884 21.173 41.935 1.00 1.00 H new ATOM 0 HB3 GLU A 81 76.633 22.426 40.736 1.00 1.00 H new ATOM 0 HG2 GLU A 81 75.175 23.646 42.411 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.614 22.440 43.604 1.00 1.00 H new ATOM 1300 N ASP A 82 74.150 20.093 39.085 1.00 1.00 N ATOM 1301 CA ASP A 82 74.314 19.272 37.916 1.00 1.00 C ATOM 1302 C ASP A 82 74.916 19.978 36.737 1.00 1.00 C ATOM 1303 O ASP A 82 74.979 21.205 36.690 1.00 1.00 O ATOM 1304 CB ASP A 82 73.024 18.560 37.447 1.00 1.00 C ATOM 1305 CG ASP A 82 73.407 17.115 37.181 1.00 1.00 C ATOM 1306 OD1 ASP A 82 73.501 16.344 38.171 1.00 1.00 O ATOM 1307 OD2 ASP A 82 73.735 16.763 36.018 1.00 1.00 O ATOM 0 H ASP A 82 73.208 20.470 39.188 1.00 1.00 H new ATOM 0 HA ASP A 82 75.020 18.522 38.272 1.00 1.00 H new ATOM 0 HB2 ASP A 82 72.247 18.622 38.209 1.00 1.00 H new ATOM 0 HB3 ASP A 82 72.626 19.029 36.547 1.00 1.00 H new ATOM 1312 N THR A 83 75.354 19.212 35.718 1.00 1.00 N ATOM 1313 CA THR A 83 75.830 19.723 34.461 1.00 1.00 C ATOM 1314 C THR A 83 75.209 18.988 33.316 1.00 1.00 C ATOM 1315 O THR A 83 75.405 17.789 33.121 1.00 1.00 O ATOM 1316 CB THR A 83 77.321 19.690 34.245 1.00 1.00 C ATOM 1317 OG1 THR A 83 78.010 20.352 35.296 1.00 1.00 O ATOM 1318 CG2 THR A 83 77.685 20.450 32.957 1.00 1.00 C ATOM 0 H THR A 83 75.378 18.194 35.770 1.00 1.00 H new ATOM 0 HA THR A 83 75.536 20.772 34.503 1.00 1.00 H new ATOM 0 HB THR A 83 77.608 18.640 34.195 1.00 1.00 H new ATOM 0 HG1 THR A 83 78.975 20.313 35.130 1.00 1.00 H new ATOM 0 HG21 THR A 83 78.765 20.420 32.810 1.00 1.00 H new ATOM 0 HG22 THR A 83 77.190 19.982 32.106 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.359 21.487 33.042 1.00 1.00 H new ATOM 1326 N ILE A 84 74.460 19.723 32.475 1.00 1.00 N ATOM 1327 CA ILE A 84 73.731 19.315 31.307 1.00 1.00 C ATOM 1328 C ILE A 84 74.417 19.832 30.081 1.00 1.00 C ATOM 1329 O ILE A 84 74.977 20.927 30.075 1.00 1.00 O ATOM 1330 CB ILE A 84 72.284 19.730 31.377 1.00 1.00 C ATOM 1331 CG1 ILE A 84 71.601 19.122 32.617 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.511 19.330 30.105 1.00 1.00 C ATOM 1333 CD1 ILE A 84 71.672 17.599 32.747 1.00 1.00 C ATOM 0 H ILE A 84 74.353 20.725 32.634 1.00 1.00 H new ATOM 0 HA ILE A 84 73.724 18.226 31.258 1.00 1.00 H new ATOM 0 HB ILE A 84 72.266 20.817 31.455 1.00 1.00 H new ATOM 0 HG12 ILE A 84 72.050 19.563 33.507 1.00 1.00 H new ATOM 0 HG13 ILE A 84 70.552 19.417 32.610 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.472 19.647 30.196 1.00 1.00 H new ATOM 0 HG22 ILE A 84 71.963 19.812 29.238 1.00 1.00 H new ATOM 0 HG23 ILE A 84 71.550 18.248 29.980 1.00 1.00 H new ATOM 0 HD11 ILE A 84 71.158 17.287 33.656 1.00 1.00 H new ATOM 0 HD12 ILE A 84 71.194 17.137 31.883 1.00 1.00 H new ATOM 0 HD13 ILE A 84 72.715 17.286 32.794 1.00 1.00 H new ATOM 1345 N ASP A 85 74.480 19.050 28.987 1.00 1.00 N ATOM 1346 CA ASP A 85 75.370 19.297 27.890 1.00 1.00 C ATOM 1347 C ASP A 85 74.540 19.712 26.719 1.00 1.00 C ATOM 1348 O ASP A 85 73.498 19.131 26.422 1.00 1.00 O ATOM 1349 CB ASP A 85 76.047 17.960 27.528 1.00 1.00 C ATOM 1350 CG ASP A 85 76.995 18.021 26.344 1.00 1.00 C ATOM 1351 OD1 ASP A 85 77.939 18.854 26.342 1.00 1.00 O ATOM 1352 OD2 ASP A 85 76.816 17.205 25.401 1.00 1.00 O ATOM 0 H ASP A 85 73.897 18.223 28.860 1.00 1.00 H new ATOM 0 HA ASP A 85 76.107 20.059 28.144 1.00 1.00 H new ATOM 0 HB2 ASP A 85 76.598 17.602 28.398 1.00 1.00 H new ATOM 0 HB3 ASP A 85 75.272 17.223 27.316 1.00 1.00 H new ATOM 1357 N VAL A 86 74.973 20.780 26.025 1.00 1.00 N ATOM 1358 CA VAL A 86 74.206 21.375 24.970 1.00 1.00 C ATOM 1359 C VAL A 86 74.883 21.121 23.662 1.00 1.00 C ATOM 1360 O VAL A 86 76.062 21.419 23.477 1.00 1.00 O ATOM 1361 CB VAL A 86 74.024 22.858 25.154 1.00 1.00 C ATOM 1362 CG1 VAL A 86 73.010 23.398 24.129 1.00 1.00 C ATOM 1363 CG2 VAL A 86 73.525 23.126 26.585 1.00 1.00 C ATOM 0 H VAL A 86 75.868 21.238 26.197 1.00 1.00 H new ATOM 0 HA VAL A 86 73.216 20.918 24.989 1.00 1.00 H new ATOM 0 HB VAL A 86 74.976 23.366 24.997 1.00 1.00 H new ATOM 0 HG11 VAL A 86 72.886 24.472 24.271 1.00 1.00 H new ATOM 0 HG12 VAL A 86 73.375 23.205 23.120 1.00 1.00 H new ATOM 0 HG13 VAL A 86 72.051 22.900 24.269 1.00 1.00 H new ATOM 0 HG21 VAL A 86 73.390 24.198 26.728 1.00 1.00 H new ATOM 0 HG22 VAL A 86 72.574 22.617 26.740 1.00 1.00 H new ATOM 0 HG23 VAL A 86 74.257 22.753 27.301 1.00 1.00 H new ATOM 1373 N PHE A 87 74.137 20.559 22.695 1.00 1.00 N ATOM 1374 CA PHE A 87 74.573 20.438 21.332 1.00 1.00 C ATOM 1375 C PHE A 87 73.693 21.233 20.419 1.00 1.00 C ATOM 1376 O PHE A 87 72.483 21.353 20.614 1.00 1.00 O ATOM 1377 CB PHE A 87 74.629 18.958 20.906 1.00 1.00 C ATOM 1378 CG PHE A 87 75.633 18.733 19.823 1.00 1.00 C ATOM 1379 CD1 PHE A 87 76.983 18.849 20.108 1.00 1.00 C ATOM 1380 CD2 PHE A 87 75.246 18.404 18.536 1.00 1.00 C ATOM 1381 CE1 PHE A 87 77.934 18.635 19.125 1.00 1.00 C ATOM 1382 CE2 PHE A 87 76.189 18.190 17.548 1.00 1.00 C ATOM 1383 CZ PHE A 87 77.535 18.302 17.845 1.00 1.00 C ATOM 0 H PHE A 87 73.206 20.178 22.861 1.00 1.00 H new ATOM 0 HA PHE A 87 75.582 20.845 21.258 1.00 1.00 H new ATOM 0 HB2 PHE A 87 74.879 18.340 21.768 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.645 18.641 20.562 1.00 1.00 H new ATOM 0 HD1 PHE A 87 77.297 19.109 21.108 1.00 1.00 H new ATOM 0 HD2 PHE A 87 74.196 18.313 18.301 1.00 1.00 H new ATOM 0 HE1 PHE A 87 78.984 18.728 19.358 1.00 1.00 H new ATOM 0 HE2 PHE A 87 75.875 17.936 16.546 1.00 1.00 H new ATOM 0 HZ PHE A 87 78.274 18.129 17.077 1.00 1.00 H new ATOM 1393 N GLN A 88 74.283 21.852 19.380 1.00 1.00 N ATOM 1394 CA GLN A 88 73.595 22.730 18.477 1.00 1.00 C ATOM 1395 C GLN A 88 72.976 22.003 17.323 1.00 1.00 C ATOM 1396 O GLN A 88 73.550 21.070 16.763 1.00 1.00 O ATOM 1397 CB GLN A 88 74.556 23.812 17.950 1.00 1.00 C ATOM 1398 CG GLN A 88 75.094 24.722 19.061 1.00 1.00 C ATOM 1399 CD GLN A 88 76.117 25.713 18.523 1.00 1.00 C ATOM 1400 OE1 GLN A 88 75.881 26.921 18.465 1.00 1.00 O ATOM 1401 NE2 GLN A 88 77.308 25.195 18.129 1.00 1.00 N ATOM 0 H GLN A 88 75.272 21.739 19.159 1.00 1.00 H new ATOM 0 HA GLN A 88 72.787 23.192 19.043 1.00 1.00 H new ATOM 0 HB2 GLN A 88 75.393 23.332 17.443 1.00 1.00 H new ATOM 0 HB3 GLN A 88 74.039 24.420 17.207 1.00 1.00 H new ATOM 0 HG2 GLN A 88 74.268 25.264 19.521 1.00 1.00 H new ATOM 0 HG3 GLN A 88 75.551 24.114 19.842 1.00 1.00 H new ATOM 0 HE21 GLN A 88 77.472 24.190 18.190 1.00 1.00 H new ATOM 0 HE22 GLN A 88 78.039 25.811 17.772 1.00 1.00 H new ATOM 1410 N GLN A 89 71.754 22.404 16.925 1.00 1.00 N ATOM 1411 CA GLN A 89 70.971 21.742 15.922 1.00 1.00 C ATOM 1412 C GLN A 89 70.366 22.755 15.002 1.00 1.00 C ATOM 1413 O GLN A 89 70.394 23.957 15.264 1.00 1.00 O ATOM 1414 CB GLN A 89 69.870 20.864 16.554 1.00 1.00 C ATOM 1415 CG GLN A 89 70.093 19.348 16.432 1.00 1.00 C ATOM 1416 CD GLN A 89 71.329 18.812 17.144 1.00 1.00 C ATOM 1417 OE1 GLN A 89 72.135 18.065 16.589 1.00 1.00 O ATOM 1418 NE2 GLN A 89 71.499 19.180 18.440 1.00 1.00 N ATOM 0 H GLN A 89 71.291 23.224 17.318 1.00 1.00 H new ATOM 0 HA GLN A 89 71.630 21.086 15.353 1.00 1.00 H new ATOM 0 HB2 GLN A 89 69.786 21.119 17.610 1.00 1.00 H new ATOM 0 HB3 GLN A 89 68.916 21.114 16.089 1.00 1.00 H new ATOM 0 HG2 GLN A 89 69.216 18.835 16.827 1.00 1.00 H new ATOM 0 HG3 GLN A 89 70.163 19.092 15.375 1.00 1.00 H new ATOM 0 HE21 GLN A 89 70.823 19.800 18.887 1.00 1.00 H new ATOM 0 HE22 GLN A 89 72.302 18.837 18.966 1.00 1.00 H new ATOM 1481 N VAL B 966 72.517 31.929 38.603 1.00 1.00 N ATOM 1482 CA VAL B 966 71.996 32.866 37.648 1.00 1.00 C ATOM 1483 C VAL B 966 70.538 33.119 37.865 1.00 1.00 C ATOM 1484 O VAL B 966 70.061 34.225 38.113 1.00 1.00 O ATOM 1485 CB VAL B 966 72.168 32.389 36.226 1.00 1.00 C ATOM 1486 CG1 VAL B 966 71.863 33.531 35.246 1.00 1.00 C ATOM 1487 CG2 VAL B 966 73.577 31.846 35.933 1.00 1.00 C ATOM 0 HA VAL B 966 72.567 33.782 37.799 1.00 1.00 H new ATOM 0 HB VAL B 966 71.465 31.566 36.094 1.00 1.00 H new ATOM 0 HG11 VAL B 966 71.990 33.176 34.223 1.00 1.00 H new ATOM 0 HG12 VAL B 966 70.836 33.868 35.388 1.00 1.00 H new ATOM 0 HG13 VAL B 966 72.546 34.360 35.430 1.00 1.00 H new ATOM 0 HG21 VAL B 966 73.633 31.520 34.894 1.00 1.00 H new ATOM 0 HG22 VAL B 966 74.313 32.631 36.107 1.00 1.00 H new ATOM 0 HG23 VAL B 966 73.785 31.001 36.590 1.00 1.00 H new ATOM 1497 N ILE B 967 69.797 32.009 37.739 1.00 1.00 N ATOM 1498 CA ILE B 967 68.369 31.923 37.646 1.00 1.00 C ATOM 1499 C ILE B 967 67.789 31.251 38.852 1.00 1.00 C ATOM 1500 O ILE B 967 68.163 30.127 39.189 1.00 1.00 O ATOM 1501 CB ILE B 967 68.092 31.178 36.366 1.00 1.00 C ATOM 1502 CG1 ILE B 967 68.322 32.053 35.120 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.726 30.470 36.333 1.00 1.00 C ATOM 1504 CD1 ILE B 967 68.876 31.289 33.914 1.00 1.00 C ATOM 0 H ILE B 967 70.233 31.088 37.698 1.00 1.00 H new ATOM 0 HA ILE B 967 67.897 32.905 37.623 1.00 1.00 H new ATOM 0 HB ILE B 967 68.830 30.376 36.341 1.00 1.00 H new ATOM 0 HG12 ILE B 967 67.379 32.521 34.838 1.00 1.00 H new ATOM 0 HG13 ILE B 967 69.012 32.857 35.376 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.605 29.958 35.379 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.673 29.744 37.144 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.931 31.206 36.453 1.00 1.00 H new ATOM 0 HD11 ILE B 967 69.010 31.976 33.078 1.00 1.00 H new ATOM 0 HD12 ILE B 967 69.836 30.844 34.175 1.00 1.00 H new ATOM 0 HD13 ILE B 967 68.177 30.503 33.629 1.00 1.00 H new ATOM 1516 N ASP B 968 66.840 31.891 39.558 1.00 1.00 N ATOM 1517 CA ASP B 968 65.968 31.258 40.508 1.00 1.00 C ATOM 1518 C ASP B 968 64.648 31.084 39.821 1.00 1.00 C ATOM 1519 O ASP B 968 64.137 32.078 39.304 1.00 1.00 O ATOM 1520 CB ASP B 968 65.807 32.128 41.771 1.00 1.00 C ATOM 1521 CG ASP B 968 67.142 32.512 42.389 1.00 1.00 C ATOM 1522 OD1 ASP B 968 67.988 31.624 42.672 1.00 1.00 O ATOM 1523 OD2 ASP B 968 67.356 33.724 42.654 1.00 1.00 O ATOM 0 H ASP B 968 66.670 32.893 39.465 1.00 1.00 H new ATOM 0 HA ASP B 968 66.376 30.301 40.832 1.00 1.00 H new ATOM 0 HB2 ASP B 968 65.255 33.033 41.517 1.00 1.00 H new ATOM 0 HB3 ASP B 968 65.212 31.587 42.507 1.00 1.00 H new ATOM 1528 N LEU B 969 64.015 29.898 39.713 1.00 1.00 N ATOM 1529 CA LEU B 969 63.069 29.791 38.632 1.00 1.00 C ATOM 1530 C LEU B 969 61.750 30.498 38.738 1.00 1.00 C ATOM 1531 O LEU B 969 61.193 30.724 39.811 1.00 1.00 O ATOM 1532 CB LEU B 969 62.622 28.350 38.318 1.00 1.00 C ATOM 1533 CG LEU B 969 63.711 27.308 38.020 1.00 1.00 C ATOM 1534 CD1 LEU B 969 63.321 26.420 36.834 1.00 1.00 C ATOM 1535 CD2 LEU B 969 65.110 27.812 37.651 1.00 1.00 C ATOM 0 H LEU B 969 64.136 29.080 40.311 1.00 1.00 H new ATOM 0 HA LEU B 969 63.695 30.267 37.878 1.00 1.00 H new ATOM 0 HB2 LEU B 969 62.037 27.990 39.164 1.00 1.00 H new ATOM 0 HB3 LEU B 969 61.951 28.388 37.460 1.00 1.00 H new ATOM 0 HG LEU B 969 63.770 26.805 38.985 1.00 1.00 H new ATOM 0 HD11 LEU B 969 64.112 25.693 36.648 1.00 1.00 H new ATOM 0 HD12 LEU B 969 62.393 25.896 37.062 1.00 1.00 H new ATOM 0 HD13 LEU B 969 63.181 27.038 35.947 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.767 26.961 37.470 1.00 1.00 H new ATOM 0 HD22 LEU B 969 65.051 28.423 36.751 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.509 28.410 38.470 1.00 1.00 H new