USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 64 LYS NZ :NH3+ 145:sc= 0.192 (180deg=0) USER MOD Set 1.2: A 83 TYR OH : rot 30:sc= 0.183 USER MOD Single : A 21 GLN : amide:sc=-0.00993 K(o=-0.0099,f=-1.4) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.069 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.196 F(o=-1.4,f=-0.2) USER MOD Single : A 34 ASN : amide:sc= -1.2 X(o=-1.2,f=-1.7) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.226 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0107 (180deg=-0.134) USER MOD Single : A 46 SER OG : rot -89:sc= -3.78! USER MOD Single : A 47 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.25) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -5.3! C(o=-5.3!,f=-5.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.131 K(o=-0.13,f=-1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 128:sc= -0.2 (180deg=-0.809) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl 166:sc= -0.435 (180deg=-0.762) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.723 7.991 2.273 1.00 0.00 N ATOM 243 CA GLN A 21 6.810 6.871 2.472 1.00 0.00 C ATOM 244 C GLN A 21 6.496 6.183 1.147 1.00 0.00 C ATOM 245 O GLN A 21 6.767 4.995 0.976 1.00 0.00 O ATOM 246 CB GLN A 21 5.515 7.352 3.129 1.00 0.00 C ATOM 247 CG GLN A 21 5.717 7.926 4.522 1.00 0.00 C ATOM 248 CD GLN A 21 4.484 8.634 5.046 1.00 0.00 C ATOM 249 OE1 GLN A 21 3.567 8.953 4.288 1.00 0.00 O ATOM 250 NE2 GLN A 21 4.453 8.884 6.350 1.00 0.00 N ATOM 0 HA GLN A 21 7.297 6.150 3.129 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.056 8.111 2.495 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.815 6.518 3.186 1.00 0.00 H new ATOM 0 HG2 GLN A 21 5.988 7.122 5.206 1.00 0.00 H new ATOM 0 HG3 GLN A 21 6.553 8.625 4.505 1.00 0.00 H new ATOM 0 HE21 GLN A 21 5.234 8.602 6.942 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.648 9.358 6.759 1.00 0.00 H new ATOM 259 N GLU A 22 5.924 6.938 0.214 1.00 0.00 N ATOM 260 CA GLU A 22 5.573 6.399 -1.094 1.00 0.00 C ATOM 261 C GLU A 22 6.773 5.713 -1.740 1.00 0.00 C ATOM 262 O GLU A 22 6.622 4.753 -2.496 1.00 0.00 O ATOM 263 CB GLU A 22 5.056 7.513 -2.007 1.00 0.00 C ATOM 264 CG GLU A 22 4.092 7.025 -3.076 1.00 0.00 C ATOM 265 CD GLU A 22 3.609 8.143 -3.979 1.00 0.00 C ATOM 266 OE1 GLU A 22 4.452 8.759 -4.664 1.00 0.00 O ATOM 267 OE2 GLU A 22 2.387 8.402 -4.001 1.00 0.00 O ATOM 0 H GLU A 22 5.694 7.924 0.340 1.00 0.00 H new ATOM 0 HA GLU A 22 4.785 5.659 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.559 8.269 -1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.904 7.999 -2.489 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.581 6.261 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.234 6.552 -2.598 1.00 0.00 H new ATOM 274 N LYS A 23 7.966 6.214 -1.438 1.00 0.00 N ATOM 275 CA LYS A 23 9.194 5.651 -1.987 1.00 0.00 C ATOM 276 C LYS A 23 9.556 4.346 -1.285 1.00 0.00 C ATOM 277 O LYS A 23 9.638 3.292 -1.917 1.00 0.00 O ATOM 278 CB LYS A 23 10.344 6.652 -1.851 1.00 0.00 C ATOM 279 CG LYS A 23 10.281 7.791 -2.853 1.00 0.00 C ATOM 280 CD LYS A 23 9.489 8.969 -2.309 1.00 0.00 C ATOM 281 CE LYS A 23 9.469 10.129 -3.292 1.00 0.00 C ATOM 282 NZ LYS A 23 10.763 10.866 -3.307 1.00 0.00 N ATOM 0 H LYS A 23 8.109 7.009 -0.816 1.00 0.00 H new ATOM 0 HA LYS A 23 9.027 5.440 -3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.337 7.066 -0.843 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.290 6.124 -1.973 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.292 8.115 -3.101 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.823 7.439 -3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.468 8.654 -2.095 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.925 9.298 -1.366 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.253 9.754 -4.292 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.664 10.815 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.709 11.649 -3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.957 11.246 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.528 10.218 -3.583 1.00 0.00 H new ATOM 296 N LEU A 24 9.771 4.424 0.023 1.00 0.00 N ATOM 297 CA LEU A 24 10.123 3.248 0.812 1.00 0.00 C ATOM 298 C LEU A 24 9.209 2.073 0.476 1.00 0.00 C ATOM 299 O LEU A 24 9.622 0.915 0.537 1.00 0.00 O ATOM 300 CB LEU A 24 10.035 3.566 2.305 1.00 0.00 C ATOM 301 CG LEU A 24 10.164 2.374 3.254 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.551 1.759 3.154 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.868 2.797 4.686 1.00 0.00 C ATOM 0 H LEU A 24 9.708 5.289 0.560 1.00 0.00 H new ATOM 0 HA LEU A 24 11.148 2.970 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.816 4.286 2.549 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.080 4.055 2.496 1.00 0.00 H new ATOM 0 HG LEU A 24 9.433 1.620 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.624 0.912 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.725 1.418 2.133 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.300 2.505 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.965 1.936 5.347 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.574 3.569 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.853 3.189 4.747 1.00 0.00 H new ATOM 315 N VAL A 25 7.967 2.381 0.118 1.00 0.00 N ATOM 316 CA VAL A 25 6.995 1.351 -0.232 1.00 0.00 C ATOM 317 C VAL A 25 7.266 0.789 -1.623 1.00 0.00 C ATOM 318 O VAL A 25 7.321 -0.426 -1.813 1.00 0.00 O ATOM 319 CB VAL A 25 5.556 1.898 -0.182 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.566 0.840 -0.647 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.216 2.378 1.220 1.00 0.00 C ATOM 0 H VAL A 25 7.610 3.335 0.063 1.00 0.00 H new ATOM 0 HA VAL A 25 7.099 0.554 0.504 1.00 0.00 H new ATOM 0 HB VAL A 25 5.486 2.749 -0.859 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.555 1.244 -0.605 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.798 0.550 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.635 -0.033 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.196 2.761 1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.303 1.547 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.906 3.171 1.510 1.00 0.00 H new ATOM 331 N TYR A 26 7.435 1.681 -2.592 1.00 0.00 N ATOM 332 CA TYR A 26 7.699 1.275 -3.967 1.00 0.00 C ATOM 333 C TYR A 26 8.964 0.425 -4.051 1.00 0.00 C ATOM 334 O TYR A 26 9.056 -0.490 -4.869 1.00 0.00 O ATOM 335 CB TYR A 26 7.836 2.504 -4.868 1.00 0.00 C ATOM 336 CG TYR A 26 8.237 2.173 -6.287 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.345 1.558 -7.157 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.509 2.476 -6.759 1.00 0.00 C ATOM 339 CE1 TYR A 26 7.708 1.253 -8.455 1.00 0.00 C ATOM 340 CE2 TYR A 26 9.879 2.176 -8.056 1.00 0.00 C ATOM 341 CZ TYR A 26 8.976 1.564 -8.899 1.00 0.00 C ATOM 342 OH TYR A 26 9.340 1.263 -10.192 1.00 0.00 O ATOM 0 H TYR A 26 7.394 2.690 -2.451 1.00 0.00 H new ATOM 0 HA TYR A 26 6.856 0.675 -4.309 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.887 3.040 -4.883 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.577 3.178 -4.438 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.351 1.314 -6.813 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.220 2.954 -6.101 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.003 0.774 -9.118 1.00 0.00 H new ATOM 0 HE2 TYR A 26 10.871 2.420 -8.408 1.00 0.00 H new ATOM 0 HH TYR A 26 10.265 1.548 -10.346 1.00 0.00 H new ATOM 352 N GLN A 27 9.935 0.736 -3.199 1.00 0.00 N ATOM 353 CA GLN A 27 11.195 0.002 -3.176 1.00 0.00 C ATOM 354 C GLN A 27 10.989 -1.415 -2.653 1.00 0.00 C ATOM 355 O GLN A 27 11.690 -2.344 -3.057 1.00 0.00 O ATOM 356 CB GLN A 27 12.220 0.735 -2.309 1.00 0.00 C ATOM 357 CG GLN A 27 12.724 2.030 -2.925 1.00 0.00 C ATOM 358 CD GLN A 27 13.761 1.798 -4.006 1.00 0.00 C ATOM 359 OE1 GLN A 27 13.303 1.436 -5.198 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 14.961 1.942 -3.772 1.00 0.00 N flip ATOM 0 H GLN A 27 9.874 1.491 -2.516 1.00 0.00 H new ATOM 0 HA GLN A 27 11.571 -0.059 -4.197 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.773 0.954 -1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.068 0.075 -2.127 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.882 2.579 -3.347 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.154 2.656 -2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.269 2.222 -2.841 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.647 1.782 -4.509 1.00 0.00 H new ATOM 369 N ILE A 28 10.026 -1.574 -1.752 1.00 0.00 N ATOM 370 CA ILE A 28 9.729 -2.879 -1.174 1.00 0.00 C ATOM 371 C ILE A 28 8.953 -3.751 -2.156 1.00 0.00 C ATOM 372 O ILE A 28 9.106 -4.973 -2.172 1.00 0.00 O ATOM 373 CB ILE A 28 8.918 -2.747 0.129 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.762 -2.075 1.214 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.438 -4.113 0.595 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.940 -1.341 2.250 1.00 0.00 C ATOM 0 H ILE A 28 9.438 -0.816 -1.406 1.00 0.00 H new ATOM 0 HA ILE A 28 10.686 -3.350 -0.950 1.00 0.00 H new ATOM 0 HB ILE A 28 8.045 -2.124 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.368 -2.832 1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.451 -1.373 0.744 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.867 -4.003 1.517 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.805 -4.558 -0.173 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.298 -4.758 0.776 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.603 -0.889 2.988 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.354 -0.561 1.764 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.270 -2.043 2.746 1.00 0.00 H new ATOM 388 N ILE A 29 8.121 -3.115 -2.974 1.00 0.00 N ATOM 389 CA ILE A 29 7.324 -3.832 -3.961 1.00 0.00 C ATOM 390 C ILE A 29 8.202 -4.396 -5.073 1.00 0.00 C ATOM 391 O ILE A 29 8.195 -5.599 -5.332 1.00 0.00 O ATOM 392 CB ILE A 29 6.248 -2.923 -4.584 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.308 -2.392 -3.500 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.466 -3.679 -5.647 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.548 -1.151 -3.913 1.00 0.00 C ATOM 0 H ILE A 29 7.982 -2.105 -2.972 1.00 0.00 H new ATOM 0 HA ILE A 29 6.836 -4.653 -3.435 1.00 0.00 H new ATOM 0 HB ILE A 29 6.741 -2.075 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.595 -3.173 -3.234 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.888 -2.171 -2.604 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.710 -3.023 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.146 -4.012 -6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.981 -4.544 -5.195 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.902 -0.831 -3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.253 -0.355 -4.151 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.941 -1.372 -4.791 1.00 0.00 H new ATOM 407 N GLU A 30 8.959 -3.519 -5.725 1.00 0.00 N ATOM 408 CA GLU A 30 9.844 -3.930 -6.808 1.00 0.00 C ATOM 409 C GLU A 30 10.848 -4.972 -6.324 1.00 0.00 C ATOM 410 O GLU A 30 11.267 -5.846 -7.084 1.00 0.00 O ATOM 411 CB GLU A 30 10.584 -2.719 -7.380 1.00 0.00 C ATOM 412 CG GLU A 30 11.776 -2.285 -6.544 1.00 0.00 C ATOM 413 CD GLU A 30 12.313 -0.927 -6.955 1.00 0.00 C ATOM 414 OE1 GLU A 30 11.515 -0.093 -7.432 1.00 0.00 O ATOM 415 OE2 GLU A 30 13.531 -0.699 -6.799 1.00 0.00 O ATOM 0 H GLU A 30 8.977 -2.520 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 30 9.233 -4.376 -7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.924 -2.955 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.887 -1.885 -7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.487 -2.254 -5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.569 -3.028 -6.635 1.00 0.00 H new ATOM 422 N ASP A 31 11.230 -4.872 -5.056 1.00 0.00 N ATOM 423 CA ASP A 31 12.185 -5.806 -4.469 1.00 0.00 C ATOM 424 C ASP A 31 11.626 -7.225 -4.468 1.00 0.00 C ATOM 425 O ASP A 31 12.358 -8.191 -4.685 1.00 0.00 O ATOM 426 CB ASP A 31 12.534 -5.381 -3.042 1.00 0.00 C ATOM 427 CG ASP A 31 13.726 -4.445 -2.992 1.00 0.00 C ATOM 428 OD1 ASP A 31 13.994 -3.771 -4.009 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.391 -4.386 -1.937 1.00 0.00 O ATOM 0 H ASP A 31 10.893 -4.154 -4.414 1.00 0.00 H new ATOM 0 HA ASP A 31 13.090 -5.792 -5.076 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.671 -4.891 -2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 31 12.746 -6.267 -2.444 1.00 0.00 H new ATOM 434 N ALA A 32 10.326 -7.344 -4.220 1.00 0.00 N ATOM 435 CA ALA A 32 9.669 -8.645 -4.191 1.00 0.00 C ATOM 436 C ALA A 32 9.945 -9.428 -5.471 1.00 0.00 C ATOM 437 O ALA A 32 10.152 -10.640 -5.436 1.00 0.00 O ATOM 438 CB ALA A 32 8.171 -8.476 -3.987 1.00 0.00 C ATOM 0 H ALA A 32 9.707 -6.555 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 32 10.077 -9.211 -3.354 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.694 -9.456 -3.967 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.988 -7.964 -3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.757 -7.887 -4.805 1.00 0.00 H new ATOM 444 N GLY A 33 9.947 -8.726 -6.600 1.00 0.00 N ATOM 445 CA GLY A 33 10.198 -9.372 -7.875 1.00 0.00 C ATOM 446 C GLY A 33 8.919 -9.770 -8.585 1.00 0.00 C ATOM 447 O GLY A 33 7.834 -9.318 -8.223 1.00 0.00 O ATOM 0 H GLY A 33 9.779 -7.721 -6.654 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.770 -8.699 -8.514 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.812 -10.258 -7.715 1.00 0.00 H new ATOM 451 N ASN A 34 9.048 -10.619 -9.600 1.00 0.00 N ATOM 452 CA ASN A 34 7.893 -11.077 -10.364 1.00 0.00 C ATOM 453 C ASN A 34 6.818 -11.640 -9.440 1.00 0.00 C ATOM 454 O ASN A 34 5.635 -11.331 -9.583 1.00 0.00 O ATOM 455 CB ASN A 34 8.316 -12.139 -11.380 1.00 0.00 C ATOM 456 CG ASN A 34 8.692 -13.452 -10.720 1.00 0.00 C ATOM 457 OD1 ASN A 34 7.838 -14.305 -10.478 1.00 0.00 O ATOM 458 ND2 ASN A 34 9.976 -13.620 -10.427 1.00 0.00 N ATOM 0 H ASN A 34 9.940 -11.003 -9.912 1.00 0.00 H new ATOM 0 HA ASN A 34 7.478 -10.221 -10.896 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.502 -12.309 -12.084 1.00 0.00 H new ATOM 0 HB3 ASN A 34 9.164 -11.769 -11.957 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.289 -14.483 -9.983 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.649 -12.886 -10.646 1.00 0.00 H new ATOM 465 N LYS A 35 7.237 -12.469 -8.490 1.00 0.00 N ATOM 466 CA LYS A 35 6.312 -13.075 -7.539 1.00 0.00 C ATOM 467 C LYS A 35 5.379 -12.026 -6.944 1.00 0.00 C ATOM 468 O LYS A 35 4.200 -12.291 -6.709 1.00 0.00 O ATOM 469 CB LYS A 35 7.085 -13.779 -6.422 1.00 0.00 C ATOM 470 CG LYS A 35 8.026 -14.862 -6.921 1.00 0.00 C ATOM 471 CD LYS A 35 7.305 -16.187 -7.103 1.00 0.00 C ATOM 472 CE LYS A 35 8.259 -17.363 -6.971 1.00 0.00 C ATOM 473 NZ LYS A 35 7.753 -18.570 -7.683 1.00 0.00 N ATOM 0 H LYS A 35 8.212 -12.737 -8.358 1.00 0.00 H new ATOM 0 HA LYS A 35 5.710 -13.810 -8.074 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.660 -13.038 -5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.375 -14.221 -5.723 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.467 -14.554 -7.869 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.846 -14.987 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.512 -16.276 -6.361 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.829 -16.212 -8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.234 -17.087 -7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.403 -17.597 -5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.431 -19.350 -7.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.834 -18.849 -7.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.639 -18.355 -8.694 1.00 0.00 H new ATOM 487 N GLY A 36 5.913 -10.833 -6.703 1.00 0.00 N ATOM 488 CA GLY A 36 5.113 -9.762 -6.138 1.00 0.00 C ATOM 489 C GLY A 36 5.113 -9.775 -4.623 1.00 0.00 C ATOM 490 O GLY A 36 5.830 -10.561 -4.002 1.00 0.00 O ATOM 0 H GLY A 36 6.886 -10.589 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.494 -8.803 -6.490 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.088 -9.849 -6.499 1.00 0.00 H new ATOM 494 N ILE A 37 4.309 -8.903 -4.025 1.00 0.00 N ATOM 495 CA ILE A 37 4.220 -8.818 -2.572 1.00 0.00 C ATOM 496 C ILE A 37 2.782 -8.582 -2.123 1.00 0.00 C ATOM 497 O ILE A 37 1.946 -8.119 -2.899 1.00 0.00 O ATOM 498 CB ILE A 37 5.110 -7.690 -2.019 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.182 -7.770 -0.492 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.581 -6.333 -2.459 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.088 -6.728 0.125 1.00 0.00 C ATOM 0 H ILE A 37 3.710 -8.245 -4.524 1.00 0.00 H new ATOM 0 HA ILE A 37 4.570 -9.772 -2.178 1.00 0.00 H new ATOM 0 HB ILE A 37 6.117 -7.813 -2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.178 -7.656 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.533 -8.761 -0.204 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.221 -5.546 -2.060 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.576 -6.280 -3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.566 -6.200 -2.085 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.091 -6.844 1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.101 -6.855 -0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.726 -5.733 -0.132 1.00 0.00 H new ATOM 513 N TRP A 38 2.501 -8.902 -0.865 1.00 0.00 N ATOM 514 CA TRP A 38 1.164 -8.723 -0.311 1.00 0.00 C ATOM 515 C TRP A 38 1.045 -7.380 0.402 1.00 0.00 C ATOM 516 O TRP A 38 1.890 -7.027 1.225 1.00 0.00 O ATOM 517 CB TRP A 38 0.835 -9.859 0.658 1.00 0.00 C ATOM 518 CG TRP A 38 -0.637 -10.081 0.835 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.601 -9.995 -0.128 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.312 -10.424 2.051 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.834 -10.264 0.415 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.684 -10.530 1.750 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.891 -10.652 3.364 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.634 -10.854 2.714 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.835 -10.973 4.320 1.00 0.00 C ATOM 526 CH2 TRP A 38 -3.194 -11.073 3.992 1.00 0.00 C ATOM 0 H TRP A 38 3.181 -9.287 -0.209 1.00 0.00 H new ATOM 0 HA TRP A 38 0.451 -8.740 -1.135 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.293 -10.780 0.296 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.281 -9.640 1.628 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.421 -9.751 -1.165 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.718 -10.265 -0.094 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.154 -10.579 3.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.682 -10.930 2.463 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -1.520 -11.150 5.338 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.908 -11.328 4.762 1.00 0.00 H new ATOM 537 N SER A 39 -0.008 -6.635 0.081 1.00 0.00 N ATOM 538 CA SER A 39 -0.235 -5.330 0.689 1.00 0.00 C ATOM 539 C SER A 39 0.242 -5.315 2.138 1.00 0.00 C ATOM 540 O SER A 39 1.007 -4.439 2.543 1.00 0.00 O ATOM 541 CB SER A 39 -1.719 -4.964 0.625 1.00 0.00 C ATOM 542 OG SER A 39 -1.976 -3.752 1.312 1.00 0.00 O ATOM 0 H SER A 39 -0.717 -6.913 -0.597 1.00 0.00 H new ATOM 0 HA SER A 39 0.338 -4.592 0.128 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.028 -4.868 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.314 -5.766 1.062 1.00 0.00 H new ATOM 0 HG SER A 39 -2.931 -3.540 1.255 1.00 0.00 H new ATOM 548 N ARG A 40 -0.216 -6.291 2.915 1.00 0.00 N ATOM 549 CA ARG A 40 0.161 -6.390 4.320 1.00 0.00 C ATOM 550 C ARG A 40 1.677 -6.478 4.470 1.00 0.00 C ATOM 551 O ARG A 40 2.294 -5.648 5.139 1.00 0.00 O ATOM 552 CB ARG A 40 -0.497 -7.613 4.962 1.00 0.00 C ATOM 553 CG ARG A 40 -1.860 -7.323 5.568 1.00 0.00 C ATOM 554 CD ARG A 40 -2.463 -8.565 6.204 1.00 0.00 C ATOM 555 NE ARG A 40 -3.485 -8.233 7.193 1.00 0.00 N ATOM 556 CZ ARG A 40 -4.732 -7.901 6.878 1.00 0.00 C ATOM 557 NH1 ARG A 40 -5.110 -7.858 5.608 1.00 0.00 N ATOM 558 NH2 ARG A 40 -5.604 -7.612 7.836 1.00 0.00 N ATOM 0 H ARG A 40 -0.849 -7.024 2.595 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.187 -5.490 4.828 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.602 -8.395 4.210 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.161 -8.003 5.738 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.766 -6.538 6.318 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.530 -6.947 4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.900 -9.194 5.428 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.674 -9.148 6.680 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.227 -8.257 8.180 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.443 -8.080 4.869 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.068 -7.603 5.369 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.317 -7.645 8.814 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.562 -7.357 7.594 1.00 0.00 H new ATOM 572 N ASP A 41 2.271 -7.489 3.845 1.00 0.00 N ATOM 573 CA ASP A 41 3.715 -7.685 3.908 1.00 0.00 C ATOM 574 C ASP A 41 4.445 -6.346 3.920 1.00 0.00 C ATOM 575 O ASP A 41 5.456 -6.184 4.604 1.00 0.00 O ATOM 576 CB ASP A 41 4.189 -8.528 2.723 1.00 0.00 C ATOM 577 CG ASP A 41 5.414 -9.357 3.056 1.00 0.00 C ATOM 578 OD1 ASP A 41 6.540 -8.854 2.862 1.00 0.00 O ATOM 579 OD2 ASP A 41 5.246 -10.508 3.510 1.00 0.00 O ATOM 0 H ASP A 41 1.775 -8.185 3.289 1.00 0.00 H new ATOM 0 HA ASP A 41 3.945 -8.212 4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.382 -9.188 2.405 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.415 -7.873 1.882 1.00 0.00 H new ATOM 584 N VAL A 42 3.927 -5.388 3.158 1.00 0.00 N ATOM 585 CA VAL A 42 4.530 -4.062 3.081 1.00 0.00 C ATOM 586 C VAL A 42 4.438 -3.338 4.419 1.00 0.00 C ATOM 587 O VAL A 42 5.443 -2.865 4.951 1.00 0.00 O ATOM 588 CB VAL A 42 3.855 -3.201 1.996 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.507 -1.829 1.922 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.914 -3.902 0.647 1.00 0.00 C ATOM 0 H VAL A 42 3.091 -5.505 2.585 1.00 0.00 H new ATOM 0 HA VAL A 42 5.579 -4.206 2.820 1.00 0.00 H new ATOM 0 HB VAL A 42 2.807 -3.065 2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.018 -1.235 1.150 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.408 -1.327 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.563 -1.941 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.433 -3.280 -0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.955 -4.070 0.369 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.397 -4.859 0.712 1.00 0.00 H new ATOM 600 N ARG A 43 3.226 -3.256 4.959 1.00 0.00 N ATOM 601 CA ARG A 43 3.003 -2.588 6.236 1.00 0.00 C ATOM 602 C ARG A 43 4.197 -2.781 7.166 1.00 0.00 C ATOM 603 O ARG A 43 4.726 -1.817 7.721 1.00 0.00 O ATOM 604 CB ARG A 43 1.733 -3.124 6.900 1.00 0.00 C ATOM 605 CG ARG A 43 0.479 -2.349 6.531 1.00 0.00 C ATOM 606 CD ARG A 43 -0.582 -2.458 7.615 1.00 0.00 C ATOM 607 NE ARG A 43 -0.104 -1.961 8.902 1.00 0.00 N ATOM 608 CZ ARG A 43 -0.733 -2.175 10.052 1.00 0.00 C ATOM 609 NH1 ARG A 43 -1.859 -2.873 10.076 1.00 0.00 N ATOM 610 NH2 ARG A 43 -0.234 -1.690 11.182 1.00 0.00 N ATOM 0 H ARG A 43 2.384 -3.643 4.533 1.00 0.00 H new ATOM 0 HA ARG A 43 2.883 -1.522 6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.600 -4.169 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 43 1.860 -3.098 7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.731 -1.301 6.372 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.080 -2.727 5.590 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.466 -1.895 7.315 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.888 -3.499 7.719 1.00 0.00 H new ATOM 0 HE ARG A 43 0.760 -1.420 8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.245 -3.248 9.210 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.340 -3.036 10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.633 -1.153 11.168 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.717 -1.855 12.065 1.00 0.00 H new ATOM 624 N TYR A 44 4.614 -4.030 7.333 1.00 0.00 N ATOM 625 CA TYR A 44 5.744 -4.350 8.199 1.00 0.00 C ATOM 626 C TYR A 44 7.040 -3.775 7.637 1.00 0.00 C ATOM 627 O TYR A 44 7.751 -3.034 8.317 1.00 0.00 O ATOM 628 CB TYR A 44 5.874 -5.865 8.364 1.00 0.00 C ATOM 629 CG TYR A 44 4.545 -6.581 8.450 1.00 0.00 C ATOM 630 CD1 TYR A 44 3.882 -6.712 9.664 1.00 0.00 C ATOM 631 CD2 TYR A 44 3.954 -7.128 7.318 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.668 -7.366 9.747 1.00 0.00 C ATOM 633 CE2 TYR A 44 2.739 -7.782 7.392 1.00 0.00 C ATOM 634 CZ TYR A 44 2.100 -7.899 8.609 1.00 0.00 C ATOM 635 OH TYR A 44 0.891 -8.551 8.687 1.00 0.00 O ATOM 0 H TYR A 44 4.187 -4.838 6.881 1.00 0.00 H new ATOM 0 HA TYR A 44 5.561 -3.900 9.175 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.440 -6.266 7.523 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.450 -6.076 9.265 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.323 -6.296 10.558 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.453 -7.041 6.364 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.166 -7.459 10.699 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.292 -8.199 6.502 1.00 0.00 H new ATOM 0 HH TYR A 44 0.631 -8.865 7.796 1.00 0.00 H new ATOM 645 N LYS A 45 7.342 -4.121 6.390 1.00 0.00 N ATOM 646 CA LYS A 45 8.551 -3.639 5.733 1.00 0.00 C ATOM 647 C LYS A 45 8.629 -2.117 5.785 1.00 0.00 C ATOM 648 O LYS A 45 9.540 -1.553 6.391 1.00 0.00 O ATOM 649 CB LYS A 45 8.589 -4.113 4.278 1.00 0.00 C ATOM 650 CG LYS A 45 8.597 -5.625 4.131 1.00 0.00 C ATOM 651 CD LYS A 45 9.692 -6.261 4.972 1.00 0.00 C ATOM 652 CE LYS A 45 10.065 -7.641 4.450 1.00 0.00 C ATOM 653 NZ LYS A 45 10.844 -7.563 3.184 1.00 0.00 N ATOM 0 H LYS A 45 6.765 -4.734 5.814 1.00 0.00 H new ATOM 0 HA LYS A 45 9.411 -4.047 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.725 -3.710 3.751 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.477 -3.705 3.795 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.628 -6.026 4.430 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.742 -5.889 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.573 -5.619 4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.358 -6.340 6.007 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.649 -8.169 5.204 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.159 -8.223 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.306 -8.477 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.204 -7.338 2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.567 -6.820 3.266 1.00 0.00 H new ATOM 667 N SER A 46 7.667 -1.457 5.147 1.00 0.00 N ATOM 668 CA SER A 46 7.629 0.000 5.118 1.00 0.00 C ATOM 669 C SER A 46 7.458 0.566 6.525 1.00 0.00 C ATOM 670 O SER A 46 7.858 1.696 6.803 1.00 0.00 O ATOM 671 CB SER A 46 6.489 0.484 4.220 1.00 0.00 C ATOM 672 OG SER A 46 6.925 0.636 2.880 1.00 0.00 O ATOM 0 H SER A 46 6.904 -1.909 4.643 1.00 0.00 H new ATOM 0 HA SER A 46 8.577 0.356 4.714 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.664 -0.227 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.108 1.435 4.592 1.00 0.00 H new ATOM 0 HG SER A 46 7.273 1.543 2.750 1.00 0.00 H new ATOM 678 N ASN A 47 6.862 -0.228 7.408 1.00 0.00 N ATOM 679 CA ASN A 47 6.637 0.193 8.786 1.00 0.00 C ATOM 680 C ASN A 47 5.573 1.284 8.854 1.00 0.00 C ATOM 681 O ASN A 47 5.547 2.082 9.792 1.00 0.00 O ATOM 682 CB ASN A 47 7.942 0.697 9.406 1.00 0.00 C ATOM 683 CG ASN A 47 7.867 0.786 10.918 1.00 0.00 C ATOM 684 OD1 ASN A 47 8.157 1.829 11.504 1.00 0.00 O ATOM 685 ND2 ASN A 47 7.476 -0.311 11.556 1.00 0.00 N ATOM 0 H ASN A 47 6.526 -1.167 7.194 1.00 0.00 H new ATOM 0 HA ASN A 47 6.284 -0.670 9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.757 0.030 9.124 1.00 0.00 H new ATOM 0 HB3 ASN A 47 8.179 1.680 8.998 1.00 0.00 H new ATOM 0 HD21 ASN A 47 7.406 -0.312 12.574 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.246 -1.153 11.028 1.00 0.00 H new ATOM 692 N LEU A 48 4.698 1.312 7.856 1.00 0.00 N ATOM 693 CA LEU A 48 3.630 2.305 7.802 1.00 0.00 C ATOM 694 C LEU A 48 2.276 1.665 8.090 1.00 0.00 C ATOM 695 O LEU A 48 2.083 0.461 7.921 1.00 0.00 O ATOM 696 CB LEU A 48 3.606 2.983 6.431 1.00 0.00 C ATOM 697 CG LEU A 48 4.666 4.060 6.196 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.857 4.303 4.707 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.282 5.350 6.904 1.00 0.00 C ATOM 0 H LEU A 48 4.706 0.659 7.073 1.00 0.00 H new ATOM 0 HA LEU A 48 3.826 3.055 8.568 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.721 2.215 5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.623 3.431 6.287 1.00 0.00 H new ATOM 0 HG LEU A 48 5.611 3.710 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.615 5.072 4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.178 3.379 4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.915 4.632 4.268 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.048 6.105 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.326 5.705 6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.197 5.166 7.975 1.00 0.00 H new ATOM 711 N PRO A 49 1.314 2.488 8.534 1.00 0.00 N ATOM 712 CA PRO A 49 -0.040 2.024 8.852 1.00 0.00 C ATOM 713 C PRO A 49 -0.822 1.622 7.606 1.00 0.00 C ATOM 714 O PRO A 49 -0.544 2.099 6.505 1.00 0.00 O ATOM 715 CB PRO A 49 -0.684 3.242 9.518 1.00 0.00 C ATOM 716 CG PRO A 49 0.065 4.411 8.977 1.00 0.00 C ATOM 717 CD PRO A 49 1.474 3.934 8.759 1.00 0.00 C ATOM 0 HA PRO A 49 -0.029 1.133 9.480 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.746 3.308 9.280 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.603 3.188 10.604 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.378 4.760 8.044 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.040 5.248 9.675 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.936 4.425 7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.106 4.139 9.623 1.00 0.00 H new ATOM 725 N LEU A 50 -1.802 0.744 7.787 1.00 0.00 N ATOM 726 CA LEU A 50 -2.626 0.278 6.677 1.00 0.00 C ATOM 727 C LEU A 50 -3.126 1.451 5.840 1.00 0.00 C ATOM 728 O LEU A 50 -3.063 1.423 4.610 1.00 0.00 O ATOM 729 CB LEU A 50 -3.813 -0.531 7.202 1.00 0.00 C ATOM 730 CG LEU A 50 -4.616 -1.302 6.154 1.00 0.00 C ATOM 731 CD1 LEU A 50 -5.207 -0.349 5.126 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.742 -2.346 5.474 1.00 0.00 C ATOM 0 H LEU A 50 -2.046 0.340 8.692 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.011 -0.361 6.043 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.444 -1.241 7.942 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.489 0.149 7.721 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.435 -1.815 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.775 -0.916 4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.867 0.361 5.625 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.403 0.192 4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.330 -2.885 4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.902 -1.854 4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.367 -3.048 6.219 1.00 0.00 H new ATOM 744 N THR A 51 -3.621 2.485 6.514 1.00 0.00 N ATOM 745 CA THR A 51 -4.130 3.668 5.834 1.00 0.00 C ATOM 746 C THR A 51 -3.076 4.268 4.910 1.00 0.00 C ATOM 747 O THR A 51 -3.404 4.950 3.940 1.00 0.00 O ATOM 748 CB THR A 51 -4.586 4.742 6.839 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.173 5.848 6.144 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.415 5.229 7.679 1.00 0.00 C ATOM 0 H THR A 51 -3.680 2.526 7.531 1.00 0.00 H new ATOM 0 HA THR A 51 -4.988 3.347 5.243 1.00 0.00 H new ATOM 0 HB THR A 51 -5.328 4.295 7.501 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.461 6.525 6.791 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.761 5.987 8.381 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.989 4.391 8.231 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.654 5.659 7.028 1.00 0.00 H new ATOM 758 N GLU A 52 -1.809 4.008 5.218 1.00 0.00 N ATOM 759 CA GLU A 52 -0.707 4.523 4.414 1.00 0.00 C ATOM 760 C GLU A 52 -0.387 3.577 3.260 1.00 0.00 C ATOM 761 O GLU A 52 -0.170 4.013 2.129 1.00 0.00 O ATOM 762 CB GLU A 52 0.536 4.725 5.283 1.00 0.00 C ATOM 763 CG GLU A 52 0.577 6.074 5.982 1.00 0.00 C ATOM 764 CD GLU A 52 0.719 7.230 5.011 1.00 0.00 C ATOM 765 OE1 GLU A 52 1.244 7.009 3.899 1.00 0.00 O ATOM 766 OE2 GLU A 52 0.307 8.355 5.363 1.00 0.00 O ATOM 0 H GLU A 52 -1.521 3.444 6.018 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.011 5.484 3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.577 3.935 6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.425 4.620 4.661 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.334 6.204 6.566 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.410 6.090 6.684 1.00 0.00 H new ATOM 773 N ILE A 53 -0.359 2.282 3.555 1.00 0.00 N ATOM 774 CA ILE A 53 -0.065 1.275 2.544 1.00 0.00 C ATOM 775 C ILE A 53 -1.160 1.225 1.483 1.00 0.00 C ATOM 776 O ILE A 53 -0.882 1.067 0.296 1.00 0.00 O ATOM 777 CB ILE A 53 0.091 -0.124 3.170 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.474 -0.270 3.806 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.132 -1.202 2.120 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.728 0.709 4.932 1.00 0.00 C ATOM 0 H ILE A 53 -0.536 1.906 4.486 1.00 0.00 H new ATOM 0 HA ILE A 53 0.877 1.563 2.078 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.661 -0.243 3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.585 -1.285 4.186 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.235 -0.133 3.038 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.018 -2.185 2.578 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.137 -1.107 1.709 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.599 -1.088 1.320 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.728 0.548 5.336 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.650 1.728 4.553 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.990 0.557 5.719 1.00 0.00 H new ATOM 792 N ASN A 54 -2.407 1.364 1.922 1.00 0.00 N ATOM 793 CA ASN A 54 -3.546 1.336 1.010 1.00 0.00 C ATOM 794 C ASN A 54 -3.489 2.507 0.034 1.00 0.00 C ATOM 795 O ASN A 54 -3.590 2.323 -1.180 1.00 0.00 O ATOM 796 CB ASN A 54 -4.857 1.377 1.797 1.00 0.00 C ATOM 797 CG ASN A 54 -5.366 -0.008 2.145 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.661 -1.002 1.972 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.598 -0.079 2.637 1.00 0.00 N ATOM 0 H ASN A 54 -2.655 1.497 2.902 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.501 0.408 0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.709 1.948 2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.612 1.902 1.212 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.995 -0.984 2.888 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.146 0.772 2.763 1.00 0.00 H new ATOM 806 N LYS A 55 -3.325 3.711 0.571 1.00 0.00 N ATOM 807 CA LYS A 55 -3.252 4.913 -0.251 1.00 0.00 C ATOM 808 C LYS A 55 -2.016 4.886 -1.145 1.00 0.00 C ATOM 809 O LYS A 55 -2.078 5.263 -2.316 1.00 0.00 O ATOM 810 CB LYS A 55 -3.228 6.161 0.634 1.00 0.00 C ATOM 811 CG LYS A 55 -1.980 6.273 1.492 1.00 0.00 C ATOM 812 CD LYS A 55 -1.898 7.624 2.183 1.00 0.00 C ATOM 813 CE LYS A 55 -2.861 7.710 3.357 1.00 0.00 C ATOM 814 NZ LYS A 55 -2.919 9.083 3.929 1.00 0.00 N ATOM 0 H LYS A 55 -3.240 3.880 1.573 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.138 4.943 -0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.305 7.046 0.002 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.105 6.154 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.979 5.480 2.240 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.096 6.127 0.871 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.880 7.793 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.124 8.414 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.857 7.410 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.553 7.007 4.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.586 9.099 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.974 9.360 4.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.237 9.751 3.198 1.00 0.00 H new ATOM 828 N ILE A 56 -0.897 4.438 -0.587 1.00 0.00 N ATOM 829 CA ILE A 56 0.351 4.361 -1.335 1.00 0.00 C ATOM 830 C ILE A 56 0.259 3.329 -2.454 1.00 0.00 C ATOM 831 O ILE A 56 0.452 3.651 -3.627 1.00 0.00 O ATOM 832 CB ILE A 56 1.536 4.002 -0.418 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.775 5.117 0.603 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.789 3.755 -1.244 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.400 4.632 1.892 1.00 0.00 C ATOM 0 H ILE A 56 -0.829 4.123 0.381 1.00 0.00 H new ATOM 0 HA ILE A 56 0.521 5.347 -1.766 1.00 0.00 H new ATOM 0 HB ILE A 56 1.294 3.086 0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.421 5.874 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.825 5.601 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.617 3.503 -0.582 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.613 2.931 -1.935 1.00 0.00 H new ATOM 0 HG23 ILE A 56 3.036 4.655 -1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.540 5.475 2.568 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.745 3.897 2.360 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.366 4.174 1.678 1.00 0.00 H new ATOM 847 N LEU A 57 -0.040 2.089 -2.084 1.00 0.00 N ATOM 848 CA LEU A 57 -0.161 1.009 -3.057 1.00 0.00 C ATOM 849 C LEU A 57 -0.969 1.456 -4.270 1.00 0.00 C ATOM 850 O LEU A 57 -0.635 1.128 -5.409 1.00 0.00 O ATOM 851 CB LEU A 57 -0.820 -0.213 -2.413 1.00 0.00 C ATOM 852 CG LEU A 57 0.065 -1.039 -1.479 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.731 -2.175 -0.856 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.273 -1.580 -2.230 1.00 0.00 C ATOM 0 H LEU A 57 -0.203 1.806 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 57 0.841 0.740 -3.391 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.692 0.123 -1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.184 -0.865 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 57 0.421 -0.391 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.085 -2.752 -0.194 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.563 -1.765 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.116 -2.823 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.892 -2.165 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.937 -2.213 -3.051 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.856 -0.749 -2.627 1.00 0.00 H new ATOM 866 N LYS A 58 -2.034 2.210 -4.020 1.00 0.00 N ATOM 867 CA LYS A 58 -2.889 2.707 -5.091 1.00 0.00 C ATOM 868 C LYS A 58 -2.153 3.737 -5.942 1.00 0.00 C ATOM 869 O LYS A 58 -1.898 3.511 -7.124 1.00 0.00 O ATOM 870 CB LYS A 58 -4.162 3.328 -4.509 1.00 0.00 C ATOM 871 CG LYS A 58 -5.314 3.391 -5.497 1.00 0.00 C ATOM 872 CD LYS A 58 -6.629 3.700 -4.801 1.00 0.00 C ATOM 873 CE LYS A 58 -7.324 2.431 -4.332 1.00 0.00 C ATOM 874 NZ LYS A 58 -8.773 2.656 -4.072 1.00 0.00 N ATOM 0 H LYS A 58 -2.326 2.490 -3.084 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.160 1.863 -5.726 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.472 2.751 -3.638 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.938 4.336 -4.160 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.110 4.155 -6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.395 2.440 -6.024 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.445 4.352 -3.947 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -7.283 4.244 -5.482 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.207 1.653 -5.086 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.844 2.069 -3.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.211 1.768 -3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.885 3.380 -3.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -9.237 2.977 -4.946 1.00 0.00 H new ATOM 888 N ASN A 59 -1.812 4.867 -5.332 1.00 0.00 N ATOM 889 CA ASN A 59 -1.103 5.931 -6.034 1.00 0.00 C ATOM 890 C ASN A 59 -0.124 5.353 -7.051 1.00 0.00 C ATOM 891 O ASN A 59 -0.122 5.744 -8.219 1.00 0.00 O ATOM 892 CB ASN A 59 -0.355 6.819 -5.037 1.00 0.00 C ATOM 893 CG ASN A 59 -1.196 7.987 -4.560 1.00 0.00 C ATOM 894 OD1 ASN A 59 -1.962 8.570 -5.327 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.055 8.336 -3.286 1.00 0.00 N ATOM 0 H ASN A 59 -2.015 5.070 -4.353 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.839 6.534 -6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.050 6.220 -4.179 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.555 7.196 -5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -1.594 9.115 -2.908 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.408 7.825 -2.686 1.00 0.00 H new ATOM 902 N LEU A 60 0.706 4.420 -6.600 1.00 0.00 N ATOM 903 CA LEU A 60 1.691 3.786 -7.471 1.00 0.00 C ATOM 904 C LEU A 60 1.014 3.131 -8.671 1.00 0.00 C ATOM 905 O LEU A 60 1.497 3.231 -9.798 1.00 0.00 O ATOM 906 CB LEU A 60 2.494 2.744 -6.691 1.00 0.00 C ATOM 907 CG LEU A 60 3.277 3.264 -5.486 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.865 2.108 -4.692 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.375 4.218 -5.934 1.00 0.00 C ATOM 0 H LEU A 60 0.717 4.085 -5.637 1.00 0.00 H new ATOM 0 HA LEU A 60 2.368 4.558 -7.836 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.808 1.970 -6.347 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.195 2.267 -7.376 1.00 0.00 H new ATOM 0 HG LEU A 60 2.590 3.810 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.419 2.498 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.061 1.463 -4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.538 1.534 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.922 4.578 -5.063 1.00 0.00 H new ATOM 0 HD22 LEU A 60 5.060 3.696 -6.602 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.930 5.064 -6.458 1.00 0.00 H new ATOM 921 N GLU A 61 -0.106 2.461 -8.419 1.00 0.00 N ATOM 922 CA GLU A 61 -0.849 1.791 -9.480 1.00 0.00 C ATOM 923 C GLU A 61 -1.386 2.801 -10.490 1.00 0.00 C ATOM 924 O GLU A 61 -1.641 2.463 -11.646 1.00 0.00 O ATOM 925 CB GLU A 61 -2.004 0.980 -8.890 1.00 0.00 C ATOM 926 CG GLU A 61 -1.557 -0.279 -8.166 1.00 0.00 C ATOM 927 CD GLU A 61 -2.713 -1.035 -7.541 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.559 -0.389 -6.887 1.00 0.00 O ATOM 929 OE2 GLU A 61 -2.772 -2.271 -7.704 1.00 0.00 O ATOM 0 H GLU A 61 -0.518 2.368 -7.491 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.166 1.116 -9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.561 1.609 -8.196 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.690 0.704 -9.691 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.038 -0.932 -8.868 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.840 -0.012 -7.389 1.00 0.00 H new ATOM 936 N SER A 62 -1.556 4.041 -10.045 1.00 0.00 N ATOM 937 CA SER A 62 -2.067 5.100 -10.907 1.00 0.00 C ATOM 938 C SER A 62 -0.924 5.830 -11.607 1.00 0.00 C ATOM 939 O SER A 62 -1.106 6.412 -12.676 1.00 0.00 O ATOM 940 CB SER A 62 -2.899 6.093 -10.094 1.00 0.00 C ATOM 941 OG SER A 62 -3.871 6.730 -10.905 1.00 0.00 O ATOM 0 H SER A 62 -1.347 4.338 -9.092 1.00 0.00 H new ATOM 0 HA SER A 62 -2.701 4.642 -11.666 1.00 0.00 H new ATOM 0 HB2 SER A 62 -3.391 5.573 -9.272 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.244 6.843 -9.650 1.00 0.00 H new ATOM 0 HG SER A 62 -4.390 7.358 -10.361 1.00 0.00 H new ATOM 947 N LYS A 63 0.254 5.795 -10.994 1.00 0.00 N ATOM 948 CA LYS A 63 1.429 6.451 -11.556 1.00 0.00 C ATOM 949 C LYS A 63 2.213 5.493 -12.448 1.00 0.00 C ATOM 950 O LYS A 63 3.402 5.693 -12.697 1.00 0.00 O ATOM 951 CB LYS A 63 2.330 6.975 -10.436 1.00 0.00 C ATOM 952 CG LYS A 63 1.594 7.810 -9.403 1.00 0.00 C ATOM 953 CD LYS A 63 2.213 7.664 -8.023 1.00 0.00 C ATOM 954 CE LYS A 63 3.304 8.696 -7.789 1.00 0.00 C ATOM 955 NZ LYS A 63 2.776 10.087 -7.856 1.00 0.00 N ATOM 0 H LYS A 63 0.421 5.319 -10.107 1.00 0.00 H new ATOM 0 HA LYS A 63 1.090 7.290 -12.164 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.804 6.130 -9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.128 7.575 -10.874 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.612 8.858 -9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.548 7.507 -9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.439 7.772 -7.263 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.629 6.662 -7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.760 8.527 -6.813 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.089 8.569 -8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.061 10.608 -7.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.160 10.564 -8.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.738 10.062 -7.916 1.00 0.00 H new ATOM 969 N LYS A 64 1.539 4.453 -12.927 1.00 0.00 N ATOM 970 CA LYS A 64 2.171 3.465 -13.794 1.00 0.00 C ATOM 971 C LYS A 64 3.470 2.954 -13.179 1.00 0.00 C ATOM 972 O LYS A 64 4.454 2.727 -13.883 1.00 0.00 O ATOM 973 CB LYS A 64 2.450 4.070 -15.172 1.00 0.00 C ATOM 974 CG LYS A 64 1.227 4.695 -15.821 1.00 0.00 C ATOM 975 CD LYS A 64 0.363 3.649 -16.506 1.00 0.00 C ATOM 976 CE LYS A 64 -0.973 4.229 -16.943 1.00 0.00 C ATOM 977 NZ LYS A 64 -1.813 3.219 -17.646 1.00 0.00 N ATOM 0 H LYS A 64 0.555 4.272 -12.729 1.00 0.00 H new ATOM 0 HA LYS A 64 1.486 2.624 -13.905 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.227 4.828 -15.076 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.842 3.293 -15.828 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.639 5.216 -15.065 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.542 5.442 -16.550 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.890 3.252 -17.374 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.193 2.814 -15.826 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.509 4.604 -16.071 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.801 5.080 -17.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.814 3.379 -17.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.676 3.308 -18.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.536 2.264 -17.341 1.00 0.00 H new ATOM 991 N LEU A 65 3.465 2.773 -11.863 1.00 0.00 N ATOM 992 CA LEU A 65 4.643 2.286 -11.154 1.00 0.00 C ATOM 993 C LEU A 65 4.456 0.835 -10.721 1.00 0.00 C ATOM 994 O LEU A 65 5.417 0.066 -10.664 1.00 0.00 O ATOM 995 CB LEU A 65 4.925 3.162 -9.932 1.00 0.00 C ATOM 996 CG LEU A 65 5.452 4.568 -10.222 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.768 5.297 -8.925 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.683 4.503 -11.114 1.00 0.00 C ATOM 0 H LEU A 65 2.659 2.956 -11.266 1.00 0.00 H new ATOM 0 HA LEU A 65 5.493 2.337 -11.834 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.005 3.252 -9.354 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.649 2.647 -9.300 1.00 0.00 H new ATOM 0 HG LEU A 65 4.677 5.125 -10.748 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.142 6.296 -9.151 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.863 5.376 -8.322 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.526 4.743 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.044 5.513 -11.310 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.464 3.929 -10.615 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.424 4.021 -12.057 1.00 0.00 H new ATOM 1010 N ILE A 66 3.216 0.468 -10.418 1.00 0.00 N ATOM 1011 CA ILE A 66 2.904 -0.891 -9.994 1.00 0.00 C ATOM 1012 C ILE A 66 1.514 -1.308 -10.462 1.00 0.00 C ATOM 1013 O ILE A 66 0.793 -0.524 -11.080 1.00 0.00 O ATOM 1014 CB ILE A 66 2.982 -1.035 -8.462 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.794 -0.333 -7.801 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.295 -0.468 -7.944 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.637 -0.664 -6.334 1.00 0.00 C ATOM 0 H ILE A 66 2.411 1.093 -10.458 1.00 0.00 H new ATOM 0 HA ILE A 66 3.649 -1.542 -10.451 1.00 0.00 H new ATOM 0 HB ILE A 66 2.941 -2.094 -8.208 1.00 0.00 H new ATOM 0 HG12 ILE A 66 1.912 0.745 -7.911 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.880 -0.609 -8.327 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.336 -0.577 -6.860 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.128 -1.008 -8.395 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.364 0.588 -8.206 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.776 -0.131 -5.931 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.487 -1.737 -6.217 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.535 -0.362 -5.795 1.00 0.00 H new ATOM 1029 N LYS A 67 1.141 -2.548 -10.162 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.164 -3.070 -10.549 1.00 0.00 C ATOM 1031 C LYS A 67 -0.622 -4.158 -9.583 1.00 0.00 C ATOM 1032 O LYS A 67 0.174 -4.691 -8.811 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.112 -3.625 -11.974 1.00 0.00 C ATOM 1034 CG LYS A 67 1.078 -4.533 -12.230 1.00 0.00 C ATOM 1035 CD LYS A 67 0.887 -5.361 -13.490 1.00 0.00 C ATOM 1036 CE LYS A 67 1.888 -6.503 -13.564 1.00 0.00 C ATOM 1037 NZ LYS A 67 1.655 -7.369 -14.753 1.00 0.00 N ATOM 0 H LYS A 67 1.725 -3.210 -9.652 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.882 -2.251 -10.512 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.030 -4.178 -12.173 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.082 -2.793 -12.678 1.00 0.00 H new ATOM 0 HG2 LYS A 67 1.982 -3.932 -12.322 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.222 -5.196 -11.376 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -0.126 -5.762 -13.513 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.997 -4.722 -14.366 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.899 -6.098 -13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.820 -7.105 -12.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 2.358 -8.135 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.699 -7.776 -14.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.745 -6.801 -15.619 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.909 -4.485 -9.635 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.472 -5.513 -8.768 1.00 0.00 C ATOM 1053 C ALA A 68 -2.652 -6.827 -9.519 1.00 0.00 C ATOM 1054 O ALA A 68 -3.345 -6.883 -10.535 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.800 -5.047 -8.190 1.00 0.00 C ATOM 0 H ALA A 68 -2.582 -4.053 -10.268 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.773 -5.686 -7.950 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.209 -5.825 -7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.645 -4.138 -7.609 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.499 -4.844 -9.001 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.022 -7.883 -9.014 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.113 -9.198 -9.638 1.00 0.00 C ATOM 1063 C VAL A 69 -2.562 -10.253 -8.634 1.00 0.00 C ATOM 1064 O VAL A 69 -2.187 -10.210 -7.462 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.764 -9.625 -10.247 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.836 -11.058 -10.752 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.361 -8.676 -11.365 1.00 0.00 C ATOM 0 H VAL A 69 -1.443 -7.854 -8.175 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.854 -9.120 -10.434 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.002 -9.578 -9.469 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.126 -11.342 -11.179 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.076 -11.724 -9.923 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.609 -11.136 -11.516 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.594 -8.992 -11.784 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.122 -8.689 -12.145 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.266 -7.665 -10.968 1.00 0.00 H new ATOM 1223 N VAL A 79 -2.014 -8.788 -4.702 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.564 -8.660 -4.797 1.00 0.00 C ATOM 1225 C VAL A 79 -0.172 -7.447 -5.632 1.00 0.00 C ATOM 1226 O VAL A 79 -0.784 -7.167 -6.664 1.00 0.00 O ATOM 1227 CB VAL A 79 0.071 -9.921 -5.413 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.588 -9.816 -5.398 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.392 -11.167 -4.673 1.00 0.00 C ATOM 0 HA VAL A 79 -0.190 -8.533 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.254 -10.000 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.019 -10.716 -5.837 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.898 -8.946 -5.976 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.935 -9.711 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.067 -12.048 -5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.098 -11.099 -3.626 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.477 -11.248 -4.741 1.00 0.00 H new ATOM 1239 N TYR A 80 0.851 -6.730 -5.181 1.00 0.00 N ATOM 1240 CA TYR A 80 1.324 -5.545 -5.886 1.00 0.00 C ATOM 1241 C TYR A 80 2.763 -5.730 -6.358 1.00 0.00 C ATOM 1242 O TYR A 80 3.658 -6.009 -5.561 1.00 0.00 O ATOM 1243 CB TYR A 80 1.226 -4.315 -4.982 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.189 -3.980 -4.567 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -0.807 -4.659 -3.524 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.908 -2.985 -5.217 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.100 -4.357 -3.141 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.200 -2.675 -4.840 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.792 -3.364 -3.802 1.00 0.00 C ATOM 1250 OH TYR A 80 -4.080 -3.059 -3.425 1.00 0.00 O ATOM 0 H TYR A 80 1.369 -6.949 -4.330 1.00 0.00 H new ATOM 0 HA TYR A 80 0.690 -5.396 -6.760 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.828 -4.482 -4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.656 -3.458 -5.500 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.267 -5.436 -3.004 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.449 -2.444 -6.031 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.566 -4.895 -2.329 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.744 -1.897 -5.355 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.424 -2.336 -3.991 1.00 0.00 H new ATOM 1260 N MET A 81 2.976 -5.571 -7.660 1.00 0.00 N ATOM 1261 CA MET A 81 4.307 -5.718 -8.239 1.00 0.00 C ATOM 1262 C MET A 81 4.604 -4.583 -9.214 1.00 0.00 C ATOM 1263 O MET A 81 3.758 -3.720 -9.454 1.00 0.00 O ATOM 1264 CB MET A 81 4.429 -7.065 -8.954 1.00 0.00 C ATOM 1265 CG MET A 81 3.800 -7.078 -10.338 1.00 0.00 C ATOM 1266 SD MET A 81 4.208 -8.564 -11.273 1.00 0.00 S ATOM 1267 CE MET A 81 3.187 -9.778 -10.442 1.00 0.00 C ATOM 0 H MET A 81 2.245 -5.341 -8.334 1.00 0.00 H new ATOM 0 HA MET A 81 5.035 -5.677 -7.429 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.484 -7.327 -9.041 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.959 -7.835 -8.343 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.717 -7.000 -10.241 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.134 -6.201 -10.893 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.133 -10.683 -11.047 1.00 0.00 H new ATOM 0 HE2 MET A 81 3.622 -10.016 -9.471 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.184 -9.375 -10.302 1.00 0.00 H new ATOM 1277 N LEU A 82 5.809 -4.590 -9.773 1.00 0.00 N ATOM 1278 CA LEU A 82 6.217 -3.560 -10.722 1.00 0.00 C ATOM 1279 C LEU A 82 5.272 -3.515 -11.918 1.00 0.00 C ATOM 1280 O LEU A 82 4.823 -4.553 -12.407 1.00 0.00 O ATOM 1281 CB LEU A 82 7.648 -3.816 -11.198 1.00 0.00 C ATOM 1282 CG LEU A 82 8.758 -3.170 -10.368 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.086 -3.868 -10.616 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.866 -1.686 -10.687 1.00 0.00 C ATOM 0 H LEU A 82 6.520 -5.297 -9.586 1.00 0.00 H new ATOM 0 HA LEU A 82 6.176 -2.596 -10.214 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.816 -4.893 -11.217 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.737 -3.462 -12.225 1.00 0.00 H new ATOM 0 HG LEU A 82 8.506 -3.278 -9.313 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.864 -3.394 -10.017 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.003 -4.918 -10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.345 -3.792 -11.672 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.661 -1.242 -10.088 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.094 -1.557 -11.745 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.921 -1.195 -10.457 1.00 0.00 H new ATOM 1296 N TYR A 83 4.975 -2.308 -12.386 1.00 0.00 N ATOM 1297 CA TYR A 83 4.082 -2.129 -13.525 1.00 0.00 C ATOM 1298 C TYR A 83 4.703 -2.695 -14.799 1.00 0.00 C ATOM 1299 O TYR A 83 4.002 -3.210 -15.668 1.00 0.00 O ATOM 1300 CB TYR A 83 3.759 -0.646 -13.718 1.00 0.00 C ATOM 1301 CG TYR A 83 2.493 -0.399 -14.507 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.260 -0.824 -14.030 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.531 0.260 -15.729 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.101 -0.602 -14.748 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.377 0.488 -16.454 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.164 0.055 -15.959 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.988 0.279 -16.677 1.00 0.00 O ATOM 0 H TYR A 83 5.339 -1.439 -11.995 1.00 0.00 H new ATOM 0 HA TYR A 83 3.159 -2.672 -13.320 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.666 -0.173 -12.740 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.594 -0.164 -14.227 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.206 -1.337 -13.081 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.479 0.600 -16.119 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.849 -0.941 -14.363 1.00 0.00 H new ATOM 0 HE2 TYR A 83 1.424 1.002 -17.403 1.00 0.00 H new ATOM 0 HH TYR A 83 -1.745 0.371 -16.061 1.00 0.00 H new ATOM 1317 N ASN A 84 6.025 -2.594 -14.900 1.00 0.00 N ATOM 1318 CA ASN A 84 6.742 -3.096 -16.067 1.00 0.00 C ATOM 1319 C ASN A 84 6.541 -4.600 -16.223 1.00 0.00 C ATOM 1320 O ASN A 84 6.370 -5.102 -17.335 1.00 0.00 O ATOM 1321 CB ASN A 84 8.234 -2.779 -15.949 1.00 0.00 C ATOM 1322 CG ASN A 84 8.590 -1.436 -16.558 1.00 0.00 C ATOM 1323 OD1 ASN A 84 8.731 -0.439 -15.850 1.00 0.00 O ATOM 1324 ND2 ASN A 84 8.737 -1.405 -17.877 1.00 0.00 N ATOM 0 H ASN A 84 6.621 -2.170 -14.189 1.00 0.00 H new ATOM 0 HA ASN A 84 6.341 -2.600 -16.951 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.522 -2.786 -14.898 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.809 -3.562 -16.442 1.00 0.00 H new ATOM 0 HD21 ASN A 84 8.976 -0.530 -18.343 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.611 -2.256 -18.424 1.00 0.00 H new