USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 625 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 61 SER OG : rot -73:sc= -0.479 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0.12 USER MOD Set 2.1: A 24 CYS SG : rot 123:sc= -1.88! USER MOD Set 2.2: A 91 TYR OH : rot 33:sc= -1.68! USER MOD Set 3.1: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 80 TYR OH : rot 180:sc= -1.32 USER MOD Set 4.1: A 29 THR OG1 : rot 87:sc= 1.16 USER MOD Set 4.2: A 43 TYR OH : rot 180:sc= -0.62 USER MOD Single : A 20 MET CE :methyl -136:sc= -0.0537 (180deg=-0.763) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -159:sc= -0.0547 (180deg=-0.342) USER MOD Single : A 32 CYS SG : rot 86:sc= 0.0481 USER MOD Single : A 33 LYS NZ :NH3+ 142:sc= 0.0684 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc=-0.00191 X(o=-0.0019,f=-0.19) USER MOD Single : A 45 ASN : amide:sc= -0.053 X(o=-0.053,f=-0.061) USER MOD Single : A 48 ASN : amide:sc= -0.093 K(o=-0.093,f=-0.62) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.00769 USER MOD Single : A 51 THR OG1 : rot -31:sc= 1.15 USER MOD Single : A 53 LYS NZ :NH3+ -133:sc= -0.98 (180deg=-3.24!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -160:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 171:sc= -0.205 USER MOD Single : A 76 LYS NZ :NH3+ 138:sc= 0.142 (180deg=0.00469) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 260 N ARG A 17 -13.387 -1.947 -0.141 1.00 0.00 N ATOM 261 CA ARG A 17 -12.226 -1.069 -0.030 1.00 0.00 C ATOM 262 C ARG A 17 -11.846 -0.843 1.431 1.00 0.00 C ATOM 263 O ARG A 17 -10.678 -0.619 1.753 1.00 0.00 O ATOM 264 CB ARG A 17 -12.510 0.272 -0.710 1.00 0.00 C ATOM 265 CG ARG A 17 -11.891 0.397 -2.093 1.00 0.00 C ATOM 266 CD ARG A 17 -10.573 1.155 -2.051 1.00 0.00 C ATOM 267 NE ARG A 17 -10.580 2.317 -2.937 1.00 0.00 N ATOM 268 CZ ARG A 17 -11.152 3.478 -2.631 1.00 0.00 C ATOM 269 NH1 ARG A 17 -11.766 3.639 -1.465 1.00 0.00 N ATOM 270 NH2 ARG A 17 -11.112 4.485 -3.494 1.00 0.00 N ATOM 0 HA ARG A 17 -11.388 -1.554 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.589 0.408 -0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.134 1.077 -0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.727 -0.597 -2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -12.586 0.910 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.374 1.479 -1.030 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.761 0.486 -2.337 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.119 2.233 -3.843 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -11.801 2.869 -0.797 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -12.202 4.532 -1.237 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.643 4.369 -4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.551 5.375 -3.259 1.00 0.00 H new ATOM 284 N GLU A 18 -12.840 -0.902 2.313 1.00 0.00 N ATOM 285 CA GLU A 18 -12.609 -0.701 3.739 1.00 0.00 C ATOM 286 C GLU A 18 -11.690 -1.784 4.300 1.00 0.00 C ATOM 287 O GLU A 18 -10.644 -1.486 4.875 1.00 0.00 O ATOM 288 CB GLU A 18 -13.940 -0.702 4.495 1.00 0.00 C ATOM 289 CG GLU A 18 -14.453 0.690 4.824 1.00 0.00 C ATOM 290 CD GLU A 18 -15.492 0.682 5.928 1.00 0.00 C ATOM 291 OE1 GLU A 18 -15.105 0.539 7.108 1.00 0.00 O ATOM 292 OE2 GLU A 18 -16.692 0.821 5.613 1.00 0.00 O ATOM 0 H GLU A 18 -13.812 -1.087 2.065 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.123 0.266 3.872 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.687 -1.224 3.897 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.822 -1.265 5.421 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.616 1.321 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.884 1.136 3.928 1.00 0.00 H new ATOM 299 N GLU A 19 -12.089 -3.039 4.129 1.00 0.00 N ATOM 300 CA GLU A 19 -11.303 -4.165 4.620 1.00 0.00 C ATOM 301 C GLU A 19 -9.915 -4.187 3.984 1.00 0.00 C ATOM 302 O GLU A 19 -8.967 -4.711 4.566 1.00 0.00 O ATOM 303 CB GLU A 19 -12.027 -5.481 4.331 1.00 0.00 C ATOM 304 CG GLU A 19 -13.127 -5.803 5.330 1.00 0.00 C ATOM 305 CD GLU A 19 -14.003 -6.956 4.881 1.00 0.00 C ATOM 306 OE1 GLU A 19 -13.510 -8.103 4.857 1.00 0.00 O ATOM 307 OE2 GLU A 19 -15.183 -6.710 4.552 1.00 0.00 O ATOM 0 H GLU A 19 -12.952 -3.303 3.654 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.185 -4.048 5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.458 -5.437 3.331 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.300 -6.293 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.678 -6.046 6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.746 -4.919 5.481 1.00 0.00 H new ATOM 314 N MET A 20 -9.804 -3.618 2.788 1.00 0.00 N ATOM 315 CA MET A 20 -8.532 -3.578 2.075 1.00 0.00 C ATOM 316 C MET A 20 -7.487 -2.779 2.848 1.00 0.00 C ATOM 317 O MET A 20 -6.466 -3.325 3.267 1.00 0.00 O ATOM 318 CB MET A 20 -8.725 -2.972 0.684 1.00 0.00 C ATOM 319 CG MET A 20 -9.577 -3.829 -0.240 1.00 0.00 C ATOM 320 SD MET A 20 -8.794 -4.123 -1.839 1.00 0.00 S ATOM 321 CE MET A 20 -7.535 -5.313 -1.385 1.00 0.00 C ATOM 0 H MET A 20 -10.579 -3.178 2.292 1.00 0.00 H new ATOM 0 HA MET A 20 -8.172 -4.602 1.976 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.188 -1.990 0.785 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.748 -2.818 0.225 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.779 -4.786 0.242 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.539 -3.341 -0.396 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.594 -5.050 -1.869 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.401 -5.306 -0.303 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.843 -6.308 -1.706 1.00 0.00 H new ATOM 331 N VAL A 21 -7.739 -1.485 3.026 1.00 0.00 N ATOM 332 CA VAL A 21 -6.804 -0.618 3.742 1.00 0.00 C ATOM 333 C VAL A 21 -6.440 -1.203 5.105 1.00 0.00 C ATOM 334 O VAL A 21 -5.273 -1.204 5.498 1.00 0.00 O ATOM 335 CB VAL A 21 -7.363 0.814 3.919 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.003 1.303 2.630 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.362 0.884 5.066 1.00 0.00 C ATOM 0 H VAL A 21 -8.578 -1.014 2.687 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.903 -0.558 3.131 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.525 1.467 4.164 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.390 2.312 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.258 1.311 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.821 0.637 2.354 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.735 1.904 5.162 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.195 0.211 4.864 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.872 0.588 5.994 1.00 0.00 H new ATOM 347 N LYS A 22 -7.441 -1.707 5.817 1.00 0.00 N ATOM 348 CA LYS A 22 -7.214 -2.300 7.128 1.00 0.00 C ATOM 349 C LYS A 22 -6.249 -3.476 7.019 1.00 0.00 C ATOM 350 O LYS A 22 -5.279 -3.574 7.773 1.00 0.00 O ATOM 351 CB LYS A 22 -8.537 -2.761 7.743 1.00 0.00 C ATOM 352 CG LYS A 22 -9.581 -1.662 7.839 1.00 0.00 C ATOM 353 CD LYS A 22 -9.195 -0.614 8.871 1.00 0.00 C ATOM 354 CE LYS A 22 -10.152 0.566 8.853 1.00 0.00 C ATOM 355 NZ LYS A 22 -9.867 1.531 9.950 1.00 0.00 N ATOM 0 H LYS A 22 -8.414 -1.717 5.510 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.773 -1.543 7.776 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.939 -3.580 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.346 -3.156 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.702 -1.188 6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.545 -2.097 8.104 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.190 -1.064 9.864 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.181 -0.265 8.674 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -10.080 1.077 7.893 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.176 0.204 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.542 2.321 9.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.961 1.051 10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.899 1.897 9.848 1.00 0.00 H new ATOM 369 N LYS A 23 -6.520 -4.363 6.067 1.00 0.00 N ATOM 370 CA LYS A 23 -5.678 -5.530 5.842 1.00 0.00 C ATOM 371 C LYS A 23 -4.252 -5.103 5.512 1.00 0.00 C ATOM 372 O LYS A 23 -3.291 -5.792 5.855 1.00 0.00 O ATOM 373 CB LYS A 23 -6.243 -6.381 4.702 1.00 0.00 C ATOM 374 CG LYS A 23 -6.125 -7.876 4.942 1.00 0.00 C ATOM 375 CD LYS A 23 -7.375 -8.614 4.493 1.00 0.00 C ATOM 376 CE LYS A 23 -8.493 -8.489 5.516 1.00 0.00 C ATOM 377 NZ LYS A 23 -8.168 -9.201 6.783 1.00 0.00 N ATOM 0 H LYS A 23 -7.320 -4.294 5.437 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.664 -6.125 6.755 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.293 -6.127 4.556 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.722 -6.128 3.778 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.260 -8.264 4.405 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.952 -8.063 6.002 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.710 -8.215 3.536 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.141 -9.667 4.335 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -8.675 -7.435 5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.415 -8.894 5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.046 -9.403 7.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -7.682 -10.094 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.549 -8.604 7.368 1.00 0.00 H new ATOM 391 N CYS A 24 -4.127 -3.960 4.847 1.00 0.00 N ATOM 392 CA CYS A 24 -2.823 -3.434 4.470 1.00 0.00 C ATOM 393 C CYS A 24 -2.043 -2.998 5.705 1.00 0.00 C ATOM 394 O CYS A 24 -0.820 -3.125 5.753 1.00 0.00 O ATOM 395 CB CYS A 24 -2.986 -2.261 3.495 1.00 0.00 C ATOM 396 SG CYS A 24 -1.479 -1.302 3.215 1.00 0.00 S ATOM 0 H CYS A 24 -4.915 -3.380 4.558 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.261 -4.224 3.973 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.339 -2.647 2.539 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.760 -1.594 3.875 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.203 -1.288 1.945 1.00 0.00 H new ATOM 402 N LEU A 25 -2.757 -2.489 6.702 1.00 0.00 N ATOM 403 CA LEU A 25 -2.123 -2.044 7.935 1.00 0.00 C ATOM 404 C LEU A 25 -1.418 -3.205 8.622 1.00 0.00 C ATOM 405 O LEU A 25 -0.329 -3.046 9.176 1.00 0.00 O ATOM 406 CB LEU A 25 -3.159 -1.429 8.876 1.00 0.00 C ATOM 407 CG LEU A 25 -2.598 -0.419 9.878 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.482 0.816 9.949 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.453 -1.055 11.252 1.00 0.00 C ATOM 0 H LEU A 25 -3.770 -2.375 6.681 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.382 -1.285 7.684 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.926 -0.938 8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.650 -2.231 9.427 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.610 -0.110 9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.065 1.521 10.668 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.531 1.285 8.966 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.485 0.528 10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.052 -0.322 11.952 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.428 -1.394 11.601 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.774 -1.905 11.189 1.00 0.00 H new ATOM 421 N GLY A 26 -2.041 -4.379 8.577 1.00 0.00 N ATOM 422 CA GLY A 26 -1.457 -5.554 9.196 1.00 0.00 C ATOM 423 C GLY A 26 -0.353 -6.169 8.353 1.00 0.00 C ATOM 424 O GLY A 26 0.698 -6.541 8.873 1.00 0.00 O ATOM 0 H GLY A 26 -2.940 -4.537 8.122 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.056 -5.284 10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.237 -6.297 9.365 1.00 0.00 H new ATOM 428 N GLU A 27 -0.594 -6.276 7.050 1.00 0.00 N ATOM 429 CA GLU A 27 0.388 -6.850 6.135 1.00 0.00 C ATOM 430 C GLU A 27 1.685 -6.049 6.155 1.00 0.00 C ATOM 431 O GLU A 27 2.772 -6.609 6.316 1.00 0.00 O ATOM 432 CB GLU A 27 -0.174 -6.897 4.713 1.00 0.00 C ATOM 433 CG GLU A 27 -1.090 -8.084 4.461 1.00 0.00 C ATOM 434 CD GLU A 27 -1.880 -7.946 3.174 1.00 0.00 C ATOM 435 OE1 GLU A 27 -1.251 -7.815 2.103 1.00 0.00 O ATOM 436 OE2 GLU A 27 -3.127 -7.972 3.237 1.00 0.00 O ATOM 0 H GLU A 27 -1.460 -5.973 6.604 1.00 0.00 H new ATOM 0 HA GLU A 27 0.605 -7.866 6.466 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.724 -5.976 4.518 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.654 -6.930 4.005 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.495 -8.996 4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.781 -8.190 5.298 1.00 0.00 H new ATOM 443 N LEU A 28 1.567 -4.735 5.990 1.00 0.00 N ATOM 444 CA LEU A 28 2.732 -3.861 5.987 1.00 0.00 C ATOM 445 C LEU A 28 3.497 -3.966 7.301 1.00 0.00 C ATOM 446 O LEU A 28 4.718 -3.816 7.333 1.00 0.00 O ATOM 447 CB LEU A 28 2.312 -2.410 5.739 1.00 0.00 C ATOM 448 CG LEU A 28 2.166 -2.021 4.266 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.867 -0.537 4.136 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.426 -2.382 3.490 1.00 0.00 C ATOM 0 H LEU A 28 0.677 -4.254 5.857 1.00 0.00 H new ATOM 0 HA LEU A 28 3.390 -4.182 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.362 -2.232 6.242 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.046 -1.751 6.202 1.00 0.00 H new ATOM 0 HG LEU A 28 1.331 -2.580 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.766 -0.277 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.938 -0.306 4.657 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.682 0.038 4.575 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.303 -2.098 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.279 -1.851 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.599 -3.456 3.556 1.00 0.00 H new ATOM 462 N THR A 29 2.774 -4.235 8.385 1.00 0.00 N ATOM 463 CA THR A 29 3.398 -4.367 9.697 1.00 0.00 C ATOM 464 C THR A 29 4.421 -5.499 9.691 1.00 0.00 C ATOM 465 O THR A 29 5.471 -5.402 10.323 1.00 0.00 O ATOM 466 CB THR A 29 2.339 -4.623 10.771 1.00 0.00 C ATOM 467 OG1 THR A 29 1.414 -3.553 10.828 1.00 0.00 O ATOM 468 CG2 THR A 29 2.920 -4.797 12.159 1.00 0.00 C ATOM 0 H THR A 29 1.762 -4.365 8.381 1.00 0.00 H new ATOM 0 HA THR A 29 3.911 -3.433 9.927 1.00 0.00 H new ATOM 0 HB THR A 29 1.853 -5.554 10.478 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.698 -3.704 10.176 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.114 -4.975 12.871 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.603 -5.647 12.164 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.462 -3.895 12.442 1.00 0.00 H new ATOM 476 N GLU A 30 4.105 -6.568 8.965 1.00 0.00 N ATOM 477 CA GLU A 30 4.997 -7.718 8.871 1.00 0.00 C ATOM 478 C GLU A 30 6.278 -7.349 8.128 1.00 0.00 C ATOM 479 O GLU A 30 7.377 -7.468 8.671 1.00 0.00 O ATOM 480 CB GLU A 30 4.296 -8.878 8.160 1.00 0.00 C ATOM 481 CG GLU A 30 3.157 -9.484 8.962 1.00 0.00 C ATOM 482 CD GLU A 30 3.580 -10.715 9.738 1.00 0.00 C ATOM 483 OE1 GLU A 30 4.466 -11.448 9.251 1.00 0.00 O ATOM 484 OE2 GLU A 30 3.024 -10.949 10.832 1.00 0.00 O ATOM 0 H GLU A 30 3.239 -6.661 8.434 1.00 0.00 H new ATOM 0 HA GLU A 30 5.260 -8.029 9.882 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.909 -8.526 7.204 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.029 -9.655 7.941 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.769 -8.738 9.655 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.342 -9.747 8.287 1.00 0.00 H new ATOM 491 N VAL A 31 6.131 -6.900 6.883 1.00 0.00 N ATOM 492 CA VAL A 31 7.279 -6.511 6.069 1.00 0.00 C ATOM 493 C VAL A 31 8.163 -5.509 6.807 1.00 0.00 C ATOM 494 O VAL A 31 9.389 -5.564 6.719 1.00 0.00 O ATOM 495 CB VAL A 31 6.833 -5.902 4.725 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.856 -4.768 4.962 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.034 -5.422 3.918 1.00 0.00 C ATOM 0 H VAL A 31 5.229 -6.797 6.417 1.00 0.00 H new ATOM 0 HA VAL A 31 7.852 -7.417 5.874 1.00 0.00 H new ATOM 0 HB VAL A 31 6.331 -6.677 4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.549 -4.346 4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.981 -5.146 5.490 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.335 -3.994 5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.692 -4.997 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.573 -4.662 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.697 -6.263 3.717 1.00 0.00 H new ATOM 507 N CYS A 32 7.529 -4.596 7.536 1.00 0.00 N ATOM 508 CA CYS A 32 8.259 -3.584 8.290 1.00 0.00 C ATOM 509 C CYS A 32 9.213 -4.232 9.289 1.00 0.00 C ATOM 510 O CYS A 32 10.397 -3.902 9.336 1.00 0.00 O ATOM 511 CB CYS A 32 7.284 -2.661 9.023 1.00 0.00 C ATOM 512 SG CYS A 32 6.648 -1.304 8.011 1.00 0.00 S ATOM 0 H CYS A 32 6.514 -4.536 7.620 1.00 0.00 H new ATOM 0 HA CYS A 32 8.845 -2.995 7.585 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.444 -3.253 9.387 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.783 -2.244 9.898 1.00 0.00 H new ATOM 0 HG CYS A 32 5.615 -1.713 7.336 1.00 0.00 H new ATOM 518 N LYS A 33 8.689 -5.162 10.083 1.00 0.00 N ATOM 519 CA LYS A 33 9.496 -5.860 11.080 1.00 0.00 C ATOM 520 C LYS A 33 10.640 -6.616 10.413 1.00 0.00 C ATOM 521 O LYS A 33 11.797 -6.498 10.819 1.00 0.00 O ATOM 522 CB LYS A 33 8.631 -6.834 11.882 1.00 0.00 C ATOM 523 CG LYS A 33 7.294 -6.253 12.312 1.00 0.00 C ATOM 524 CD LYS A 33 7.036 -6.476 13.793 1.00 0.00 C ATOM 525 CE LYS A 33 6.133 -5.397 14.371 1.00 0.00 C ATOM 526 NZ LYS A 33 6.396 -5.168 15.819 1.00 0.00 N ATOM 0 H LYS A 33 7.711 -5.449 10.056 1.00 0.00 H new ATOM 0 HA LYS A 33 9.914 -5.116 11.758 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.453 -7.727 11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.182 -7.150 12.768 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.275 -5.185 12.096 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.494 -6.711 11.730 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.577 -7.453 13.940 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.984 -6.485 14.331 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.283 -4.467 13.823 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.091 -5.684 14.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.319 -4.152 16.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.700 -5.693 16.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.354 -5.498 16.054 1.00 0.00 H new ATOM 540 N SER A 34 10.309 -7.392 9.386 1.00 0.00 N ATOM 541 CA SER A 34 11.307 -8.170 8.658 1.00 0.00 C ATOM 542 C SER A 34 12.422 -7.272 8.129 1.00 0.00 C ATOM 543 O SER A 34 13.546 -7.725 7.911 1.00 0.00 O ATOM 544 CB SER A 34 10.649 -8.922 7.499 1.00 0.00 C ATOM 545 OG SER A 34 10.272 -10.231 7.889 1.00 0.00 O ATOM 0 H SER A 34 9.356 -7.499 9.038 1.00 0.00 H new ATOM 0 HA SER A 34 11.745 -8.890 9.350 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.771 -8.374 7.158 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.339 -8.975 6.657 1.00 0.00 H new ATOM 0 HG SER A 34 9.852 -10.690 7.132 1.00 0.00 H new ATOM 551 N LEU A 35 12.104 -5.998 7.923 1.00 0.00 N ATOM 552 CA LEU A 35 13.078 -5.037 7.420 1.00 0.00 C ATOM 553 C LEU A 35 13.962 -4.514 8.547 1.00 0.00 C ATOM 554 O LEU A 35 15.120 -4.153 8.327 1.00 0.00 O ATOM 555 CB LEU A 35 12.365 -3.870 6.735 1.00 0.00 C ATOM 556 CG LEU A 35 11.819 -4.171 5.338 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.089 -2.958 4.778 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.945 -4.601 4.405 1.00 0.00 C ATOM 0 H LEU A 35 11.178 -5.607 8.097 1.00 0.00 H new ATOM 0 HA LEU A 35 13.711 -5.547 6.694 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.539 -3.547 7.369 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.059 -3.032 6.664 1.00 0.00 H new ATOM 0 HG LEU A 35 11.107 -4.993 5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.707 -3.190 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.258 -2.698 5.434 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.778 -2.116 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.538 -4.811 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.682 -3.801 4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.421 -5.499 4.799 1.00 0.00 H new ATOM 570 N GLY A 36 13.409 -4.469 9.756 1.00 0.00 N ATOM 571 CA GLY A 36 14.161 -3.983 10.899 1.00 0.00 C ATOM 572 C GLY A 36 15.185 -4.985 11.397 1.00 0.00 C ATOM 573 O GLY A 36 16.212 -4.605 11.958 1.00 0.00 O ATOM 0 H GLY A 36 12.454 -4.760 9.964 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.668 -3.057 10.628 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.470 -3.744 11.708 1.00 0.00 H new ATOM 577 N LYS A 37 14.904 -6.269 11.197 1.00 0.00 N ATOM 578 CA LYS A 37 15.810 -7.326 11.635 1.00 0.00 C ATOM 579 C LYS A 37 16.997 -7.459 10.687 1.00 0.00 C ATOM 580 O LYS A 37 18.092 -7.844 11.097 1.00 0.00 O ATOM 581 CB LYS A 37 15.066 -8.658 11.729 1.00 0.00 C ATOM 582 CG LYS A 37 14.390 -9.070 10.430 1.00 0.00 C ATOM 583 CD LYS A 37 14.636 -10.536 10.112 1.00 0.00 C ATOM 584 CE LYS A 37 13.466 -11.405 10.547 1.00 0.00 C ATOM 585 NZ LYS A 37 13.394 -11.538 12.029 1.00 0.00 N ATOM 0 H LYS A 37 14.058 -6.603 10.735 1.00 0.00 H new ATOM 0 HA LYS A 37 16.187 -7.057 12.622 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.768 -9.437 12.026 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.314 -8.590 12.515 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.318 -8.888 10.503 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.763 -8.452 9.613 1.00 0.00 H new ATOM 0 HD2 LYS A 37 14.800 -10.654 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.545 -10.870 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.536 -10.974 10.176 1.00 0.00 H new ATOM 0 HE3 LYS A 37 13.561 -12.394 10.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.584 -12.137 12.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.271 -11.972 12.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.277 -10.597 12.457 1.00 0.00 H new ATOM 599 N VAL A 38 16.774 -7.141 9.415 1.00 0.00 N ATOM 600 CA VAL A 38 17.826 -7.229 8.409 1.00 0.00 C ATOM 601 C VAL A 38 18.703 -5.981 8.415 1.00 0.00 C ATOM 602 O VAL A 38 19.907 -6.054 8.172 1.00 0.00 O ATOM 603 CB VAL A 38 17.245 -7.427 7.001 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.632 -8.812 6.864 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.218 -6.351 6.698 1.00 0.00 C ATOM 0 H VAL A 38 15.874 -6.820 9.057 1.00 0.00 H new ATOM 0 HA VAL A 38 18.433 -8.097 8.667 1.00 0.00 H new ATOM 0 HB VAL A 38 18.055 -7.343 6.277 1.00 0.00 H new ATOM 0 HG11 VAL A 38 16.226 -8.932 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 38 17.398 -9.568 7.039 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.832 -8.930 7.595 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.815 -6.504 5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.409 -6.404 7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.691 -5.371 6.752 1.00 0.00 H new ATOM 615 N PHE A 39 18.090 -4.835 8.696 1.00 0.00 N ATOM 616 CA PHE A 39 18.816 -3.570 8.732 1.00 0.00 C ATOM 617 C PHE A 39 19.352 -3.286 10.134 1.00 0.00 C ATOM 618 O PHE A 39 20.345 -2.576 10.295 1.00 0.00 O ATOM 619 CB PHE A 39 17.908 -2.425 8.281 1.00 0.00 C ATOM 620 CG PHE A 39 17.865 -2.246 6.791 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.969 -1.763 6.107 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.722 -2.560 6.074 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.934 -1.597 4.735 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.679 -2.397 4.703 1.00 0.00 C ATOM 625 CZ PHE A 39 17.787 -1.914 4.032 1.00 0.00 C ATOM 0 H PHE A 39 17.094 -4.756 8.902 1.00 0.00 H new ATOM 0 HA PHE A 39 19.662 -3.647 8.049 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.897 -2.608 8.646 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.250 -1.498 8.741 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.867 -1.513 6.652 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.853 -2.937 6.594 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.801 -1.220 4.213 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.782 -2.646 4.156 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.756 -1.785 2.960 1.00 0.00 H new ATOM 635 N GLY A 40 18.691 -3.844 11.143 1.00 0.00 N ATOM 636 CA GLY A 40 19.117 -3.637 12.513 1.00 0.00 C ATOM 637 C GLY A 40 18.392 -2.485 13.182 1.00 0.00 C ATOM 638 O GLY A 40 18.850 -1.964 14.200 1.00 0.00 O ATOM 0 H GLY A 40 17.867 -4.436 11.035 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.946 -4.549 13.084 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.190 -3.446 12.531 1.00 0.00 H new ATOM 642 N VAL A 41 17.257 -2.087 12.614 1.00 0.00 N ATOM 643 CA VAL A 41 16.470 -0.992 13.167 1.00 0.00 C ATOM 644 C VAL A 41 15.203 -1.513 13.836 1.00 0.00 C ATOM 645 O VAL A 41 14.909 -2.707 13.785 1.00 0.00 O ATOM 646 CB VAL A 41 16.081 0.028 12.080 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.319 0.702 11.511 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.277 -0.646 10.977 1.00 0.00 C ATOM 0 H VAL A 41 16.863 -2.507 11.772 1.00 0.00 H new ATOM 0 HA VAL A 41 17.095 -0.497 13.910 1.00 0.00 H new ATOM 0 HB VAL A 41 15.456 0.795 12.536 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.023 1.419 10.745 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.849 1.222 12.309 1.00 0.00 H new ATOM 0 HG13 VAL A 41 17.973 -0.051 11.071 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.011 0.090 10.218 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.874 -1.436 10.522 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.369 -1.076 11.399 1.00 0.00 H new ATOM 658 N HIS A 42 14.457 -0.611 14.463 1.00 0.00 N ATOM 659 CA HIS A 42 13.222 -0.982 15.144 1.00 0.00 C ATOM 660 C HIS A 42 12.030 -0.903 14.194 1.00 0.00 C ATOM 661 O HIS A 42 12.101 -0.267 13.143 1.00 0.00 O ATOM 662 CB HIS A 42 12.987 -0.074 16.353 1.00 0.00 C ATOM 663 CG HIS A 42 13.801 -0.453 17.550 1.00 0.00 C ATOM 664 ND1 HIS A 42 15.123 -0.841 17.469 1.00 0.00 N ATOM 665 CD2 HIS A 42 13.476 -0.504 18.864 1.00 0.00 C ATOM 666 CE1 HIS A 42 15.574 -1.115 18.679 1.00 0.00 C ATOM 667 NE2 HIS A 42 14.596 -0.918 19.543 1.00 0.00 N ATOM 0 H HIS A 42 14.685 0.382 14.514 1.00 0.00 H new ATOM 0 HA HIS A 42 13.322 -2.012 15.487 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.219 0.954 16.076 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.930 -0.102 16.618 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.516 -0.264 19.297 1.00 0.00 H new ATOM 0 HE1 HIS A 42 16.574 -1.444 18.921 1.00 0.00 H new ATOM 0 HE2 HIS A 42 14.661 -1.052 20.552 1.00 0.00 H new ATOM 676 N TYR A 43 10.935 -1.556 14.574 1.00 0.00 N ATOM 677 CA TYR A 43 9.724 -1.566 13.760 1.00 0.00 C ATOM 678 C TYR A 43 9.269 -0.142 13.442 1.00 0.00 C ATOM 679 O TYR A 43 9.002 0.191 12.287 1.00 0.00 O ATOM 680 CB TYR A 43 8.611 -2.328 14.489 1.00 0.00 C ATOM 681 CG TYR A 43 7.240 -2.165 13.868 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.067 -2.228 12.492 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.120 -1.947 14.662 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.815 -2.078 11.923 1.00 0.00 C ATOM 685 CE2 TYR A 43 4.867 -1.798 14.101 1.00 0.00 C ATOM 686 CZ TYR A 43 4.719 -1.864 12.732 1.00 0.00 C ATOM 687 OH TYR A 43 3.471 -1.715 12.171 1.00 0.00 O ATOM 0 H TYR A 43 10.862 -2.086 15.442 1.00 0.00 H new ATOM 0 HA TYR A 43 9.945 -2.070 12.819 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.865 -3.388 14.510 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.572 -1.989 15.524 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.923 -2.397 11.856 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.232 -1.893 15.735 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.697 -2.128 10.851 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.007 -1.630 14.732 1.00 0.00 H new ATOM 0 HH TYR A 43 2.809 -1.573 12.879 1.00 0.00 H new ATOM 697 N PHE A 44 9.186 0.693 14.472 1.00 0.00 N ATOM 698 CA PHE A 44 8.766 2.079 14.301 1.00 0.00 C ATOM 699 C PHE A 44 9.756 2.847 13.429 1.00 0.00 C ATOM 700 O PHE A 44 9.397 3.838 12.794 1.00 0.00 O ATOM 701 CB PHE A 44 8.627 2.761 15.665 1.00 0.00 C ATOM 702 CG PHE A 44 7.207 3.069 16.040 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.375 3.742 15.160 1.00 0.00 C ATOM 704 CD2 PHE A 44 6.702 2.684 17.271 1.00 0.00 C ATOM 705 CE1 PHE A 44 5.066 4.027 15.502 1.00 0.00 C ATOM 706 CE2 PHE A 44 5.394 2.965 17.619 1.00 0.00 C ATOM 707 CZ PHE A 44 4.575 3.637 16.733 1.00 0.00 C ATOM 0 H PHE A 44 9.404 0.434 15.434 1.00 0.00 H new ATOM 0 HA PHE A 44 7.798 2.081 13.801 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.065 2.119 16.429 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.202 3.687 15.659 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.753 4.048 14.196 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.338 2.158 17.967 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.428 4.554 14.808 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.013 2.659 18.582 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.552 3.857 17.002 1.00 0.00 H new ATOM 717 N ASN A 45 11.004 2.387 13.406 1.00 0.00 N ATOM 718 CA ASN A 45 12.043 3.035 12.616 1.00 0.00 C ATOM 719 C ASN A 45 11.712 2.989 11.126 1.00 0.00 C ATOM 720 O ASN A 45 12.082 3.887 10.371 1.00 0.00 O ATOM 721 CB ASN A 45 13.396 2.366 12.869 1.00 0.00 C ATOM 722 CG ASN A 45 14.512 3.374 13.059 1.00 0.00 C ATOM 723 OD1 ASN A 45 14.602 4.363 12.332 1.00 0.00 O ATOM 724 ND2 ASN A 45 15.372 3.127 14.041 1.00 0.00 N ATOM 0 H ASN A 45 11.319 1.568 13.926 1.00 0.00 H new ATOM 0 HA ASN A 45 12.095 4.079 12.923 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.326 1.734 13.754 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.638 1.713 12.030 1.00 0.00 H new ATOM 0 HD21 ASN A 45 16.144 3.770 14.216 1.00 0.00 H new ATOM 0 HD22 ASN A 45 15.260 2.295 14.620 1.00 0.00 H new ATOM 731 N ILE A 46 11.015 1.936 10.709 1.00 0.00 N ATOM 732 CA ILE A 46 10.639 1.777 9.308 1.00 0.00 C ATOM 733 C ILE A 46 9.600 2.814 8.895 1.00 0.00 C ATOM 734 O ILE A 46 9.880 3.698 8.084 1.00 0.00 O ATOM 735 CB ILE A 46 10.082 0.369 9.027 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.011 -0.698 9.610 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.899 0.160 7.533 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.427 -0.622 9.080 1.00 0.00 C ATOM 0 H ILE A 46 10.700 1.182 11.319 1.00 0.00 H new ATOM 0 HA ILE A 46 11.547 1.922 8.722 1.00 0.00 H new ATOM 0 HB ILE A 46 9.108 0.278 9.509 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.032 -0.596 10.695 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.602 -1.684 9.390 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.505 -0.840 7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.201 0.902 7.145 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.860 0.268 7.030 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.029 -1.408 9.536 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.418 -0.754 7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.855 0.351 9.323 1.00 0.00 H new ATOM 750 N PHE A 47 8.401 2.701 9.456 1.00 0.00 N ATOM 751 CA PHE A 47 7.320 3.632 9.145 1.00 0.00 C ATOM 752 C PHE A 47 6.569 4.038 10.407 1.00 0.00 C ATOM 753 O PHE A 47 6.620 3.347 11.425 1.00 0.00 O ATOM 754 CB PHE A 47 6.346 3.003 8.141 1.00 0.00 C ATOM 755 CG PHE A 47 6.826 3.014 6.712 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.780 3.927 6.279 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.314 2.109 5.798 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.210 3.931 4.966 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.741 2.110 4.484 1.00 0.00 C ATOM 760 CZ PHE A 47 7.690 3.022 4.068 1.00 0.00 C ATOM 0 H PHE A 47 8.152 1.975 10.128 1.00 0.00 H new ATOM 0 HA PHE A 47 7.763 4.525 8.703 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.153 1.972 8.438 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.395 3.533 8.196 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.190 4.642 6.977 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.571 1.393 6.116 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.953 4.645 4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.332 1.398 3.783 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.025 3.024 3.041 1.00 0.00 H new ATOM 770 N ASN A 48 5.871 5.167 10.333 1.00 0.00 N ATOM 771 CA ASN A 48 5.105 5.672 11.466 1.00 0.00 C ATOM 772 C ASN A 48 3.625 5.337 11.313 1.00 0.00 C ATOM 773 O ASN A 48 3.173 4.961 10.232 1.00 0.00 O ATOM 774 CB ASN A 48 5.286 7.185 11.597 1.00 0.00 C ATOM 775 CG ASN A 48 6.443 7.551 12.506 1.00 0.00 C ATOM 776 OD1 ASN A 48 6.629 6.953 13.567 1.00 0.00 O ATOM 777 ND2 ASN A 48 7.229 8.538 12.093 1.00 0.00 N ATOM 0 H ASN A 48 5.820 5.750 9.498 1.00 0.00 H new ATOM 0 HA ASN A 48 5.478 5.189 12.369 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.453 7.615 10.610 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.368 7.626 11.986 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.024 8.829 12.662 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.038 9.006 11.207 1.00 0.00 H new ATOM 784 N THR A 49 2.875 5.472 12.403 1.00 0.00 N ATOM 785 CA THR A 49 1.444 5.184 12.391 1.00 0.00 C ATOM 786 C THR A 49 0.754 5.859 11.208 1.00 0.00 C ATOM 787 O THR A 49 -0.092 5.258 10.545 1.00 0.00 O ATOM 788 CB THR A 49 0.800 5.645 13.701 1.00 0.00 C ATOM 789 OG1 THR A 49 1.542 5.180 14.815 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.627 5.169 13.867 1.00 0.00 C ATOM 0 H THR A 49 3.235 5.779 13.307 1.00 0.00 H new ATOM 0 HA THR A 49 1.321 4.106 12.289 1.00 0.00 H new ATOM 0 HB THR A 49 0.798 6.734 13.655 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.116 5.486 15.643 1.00 0.00 H new ATOM 0 HG21 THR A 49 -1.023 5.531 14.816 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.236 5.554 13.049 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.651 4.079 13.856 1.00 0.00 H new ATOM 798 N VAL A 50 1.123 7.109 10.949 1.00 0.00 N ATOM 799 CA VAL A 50 0.542 7.864 9.844 1.00 0.00 C ATOM 800 C VAL A 50 0.921 7.251 8.500 1.00 0.00 C ATOM 801 O VAL A 50 0.132 7.264 7.556 1.00 0.00 O ATOM 802 CB VAL A 50 0.987 9.335 9.866 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.254 10.102 10.956 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.490 9.429 10.057 1.00 0.00 C ATOM 0 H VAL A 50 1.821 7.621 11.489 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.540 7.821 9.971 1.00 0.00 H new ATOM 0 HB VAL A 50 0.734 9.788 8.907 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.584 11.141 10.954 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.819 10.062 10.770 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.472 9.654 11.925 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.790 10.477 10.070 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.767 8.960 11.001 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.994 8.918 9.237 1.00 0.00 H new ATOM 814 N THR A 51 2.134 6.716 8.421 1.00 0.00 N ATOM 815 CA THR A 51 2.621 6.100 7.193 1.00 0.00 C ATOM 816 C THR A 51 1.880 4.796 6.906 1.00 0.00 C ATOM 817 O THR A 51 1.439 4.556 5.782 1.00 0.00 O ATOM 818 CB THR A 51 4.124 5.835 7.293 1.00 0.00 C ATOM 819 OG1 THR A 51 4.830 7.041 7.519 1.00 0.00 O ATOM 820 CG2 THR A 51 4.704 5.189 6.053 1.00 0.00 C ATOM 0 H THR A 51 2.799 6.697 9.194 1.00 0.00 H new ATOM 0 HA THR A 51 2.434 6.791 6.371 1.00 0.00 H new ATOM 0 HB THR A 51 4.240 5.145 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.355 7.783 7.090 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.773 5.029 6.192 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.214 4.231 5.879 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.543 5.841 5.194 1.00 0.00 H new ATOM 828 N LEU A 52 1.750 3.958 7.929 1.00 0.00 N ATOM 829 CA LEU A 52 1.062 2.679 7.787 1.00 0.00 C ATOM 830 C LEU A 52 -0.366 2.877 7.292 1.00 0.00 C ATOM 831 O LEU A 52 -0.833 2.160 6.407 1.00 0.00 O ATOM 832 CB LEU A 52 1.054 1.930 9.121 1.00 0.00 C ATOM 833 CG LEU A 52 2.427 1.473 9.616 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.464 1.443 11.136 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.771 0.106 9.046 1.00 0.00 C ATOM 0 H LEU A 52 2.112 4.141 8.865 1.00 0.00 H new ATOM 0 HA LEU A 52 1.602 2.086 7.048 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.607 2.574 9.879 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.410 1.056 9.025 1.00 0.00 H new ATOM 0 HG LEU A 52 3.173 2.188 9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.449 1.115 11.470 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.263 2.441 11.525 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.707 0.751 11.505 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.751 -0.203 9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.021 -0.619 9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.787 0.159 7.957 1.00 0.00 H new ATOM 847 N LYS A 53 -1.056 3.857 7.867 1.00 0.00 N ATOM 848 CA LYS A 53 -2.431 4.150 7.481 1.00 0.00 C ATOM 849 C LYS A 53 -2.485 4.735 6.074 1.00 0.00 C ATOM 850 O LYS A 53 -3.446 4.513 5.336 1.00 0.00 O ATOM 851 CB LYS A 53 -3.066 5.123 8.476 1.00 0.00 C ATOM 852 CG LYS A 53 -2.322 6.442 8.595 1.00 0.00 C ATOM 853 CD LYS A 53 -3.016 7.388 9.562 1.00 0.00 C ATOM 854 CE LYS A 53 -2.762 6.991 11.007 1.00 0.00 C ATOM 855 NZ LYS A 53 -3.651 5.879 11.445 1.00 0.00 N ATOM 0 H LYS A 53 -0.686 4.461 8.601 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.993 3.216 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.094 5.321 8.172 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.109 4.650 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.303 6.257 8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.251 6.911 7.614 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.662 8.405 9.395 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.088 7.388 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.721 6.690 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.917 7.855 11.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.066 6.110 12.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.411 5.747 10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.097 5.002 11.523 1.00 0.00 H new ATOM 869 N LYS A 54 -1.448 5.481 5.708 1.00 0.00 N ATOM 870 CA LYS A 54 -1.379 6.097 4.387 1.00 0.00 C ATOM 871 C LYS A 54 -1.237 5.035 3.299 1.00 0.00 C ATOM 872 O LYS A 54 -2.037 4.982 2.365 1.00 0.00 O ATOM 873 CB LYS A 54 -0.211 7.084 4.324 1.00 0.00 C ATOM 874 CG LYS A 54 -0.642 8.519 4.066 1.00 0.00 C ATOM 875 CD LYS A 54 -1.278 9.140 5.298 1.00 0.00 C ATOM 876 CE LYS A 54 -2.763 8.823 5.380 1.00 0.00 C ATOM 877 NZ LYS A 54 -3.494 9.806 6.226 1.00 0.00 N ATOM 0 H LYS A 54 -0.645 5.674 6.306 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.308 6.640 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.341 7.042 5.263 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.476 6.772 3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.222 9.111 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.350 8.544 3.238 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.776 8.771 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.136 10.221 5.276 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.189 8.819 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.899 7.821 5.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.503 9.555 6.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.104 9.792 7.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.386 10.759 5.823 1.00 0.00 H new ATOM 891 N LEU A 55 -0.220 4.186 3.429 1.00 0.00 N ATOM 892 CA LEU A 55 0.014 3.119 2.458 1.00 0.00 C ATOM 893 C LEU A 55 -1.246 2.281 2.251 1.00 0.00 C ATOM 894 O LEU A 55 -1.431 1.671 1.198 1.00 0.00 O ATOM 895 CB LEU A 55 1.162 2.214 2.921 1.00 0.00 C ATOM 896 CG LEU A 55 2.571 2.672 2.525 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.772 4.150 2.817 1.00 0.00 C ATOM 898 CD2 LEU A 55 3.621 1.844 3.251 1.00 0.00 C ATOM 0 H LEU A 55 0.453 4.216 4.195 1.00 0.00 H new ATOM 0 HA LEU A 55 0.284 3.585 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.119 2.130 4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.998 1.215 2.518 1.00 0.00 H new ATOM 0 HG LEU A 55 2.683 2.522 1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.780 4.445 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.046 4.734 2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.635 4.332 3.883 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.616 2.181 2.959 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.498 1.964 4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.502 0.793 2.987 1.00 0.00 H new ATOM 910 N ALA A 56 -2.104 2.252 3.266 1.00 0.00 N ATOM 911 CA ALA A 56 -3.343 1.484 3.201 1.00 0.00 C ATOM 912 C ALA A 56 -4.488 2.319 2.641 1.00 0.00 C ATOM 913 O ALA A 56 -5.096 1.956 1.634 1.00 0.00 O ATOM 914 CB ALA A 56 -3.704 0.957 4.581 1.00 0.00 C ATOM 0 H ALA A 56 -1.964 2.752 4.144 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.182 0.644 2.526 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.630 0.385 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.903 0.314 4.946 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.838 1.794 5.267 1.00 0.00 H new ATOM 920 N GLU A 57 -4.784 3.437 3.304 1.00 0.00 N ATOM 921 CA GLU A 57 -5.867 4.327 2.882 1.00 0.00 C ATOM 922 C GLU A 57 -5.915 4.474 1.360 1.00 0.00 C ATOM 923 O GLU A 57 -6.986 4.640 0.778 1.00 0.00 O ATOM 924 CB GLU A 57 -5.702 5.702 3.531 1.00 0.00 C ATOM 925 CG GLU A 57 -6.051 5.725 5.010 1.00 0.00 C ATOM 926 CD GLU A 57 -7.097 6.770 5.348 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.290 6.525 5.078 1.00 0.00 O ATOM 928 OE2 GLU A 57 -6.720 7.836 5.882 1.00 0.00 O ATOM 0 H GLU A 57 -4.287 3.749 4.138 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.807 3.881 3.207 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.671 6.032 3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.333 6.420 3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.416 4.742 5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.148 5.920 5.589 1.00 0.00 H new ATOM 935 N SER A 58 -4.748 4.411 0.725 1.00 0.00 N ATOM 936 CA SER A 58 -4.662 4.535 -0.725 1.00 0.00 C ATOM 937 C SER A 58 -4.874 3.182 -1.399 1.00 0.00 C ATOM 938 O SER A 58 -5.569 3.083 -2.410 1.00 0.00 O ATOM 939 CB SER A 58 -3.303 5.111 -1.129 1.00 0.00 C ATOM 940 OG SER A 58 -3.196 5.224 -2.538 1.00 0.00 O ATOM 0 H SER A 58 -3.851 4.275 1.191 1.00 0.00 H new ATOM 0 HA SER A 58 -5.449 5.213 -1.055 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.169 6.091 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.506 4.471 -0.751 1.00 0.00 H new ATOM 0 HG SER A 58 -2.251 5.283 -2.791 1.00 0.00 H new ATOM 946 N LEU A 59 -4.270 2.143 -0.832 1.00 0.00 N ATOM 947 CA LEU A 59 -4.392 0.794 -1.375 1.00 0.00 C ATOM 948 C LEU A 59 -3.792 0.713 -2.777 1.00 0.00 C ATOM 949 O LEU A 59 -4.304 0.005 -3.643 1.00 0.00 O ATOM 950 CB LEU A 59 -5.865 0.364 -1.405 1.00 0.00 C ATOM 951 CG LEU A 59 -6.193 -0.923 -0.636 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.738 -2.145 -1.414 1.00 0.00 C ATOM 953 CD2 LEU A 59 -5.557 -0.910 0.744 1.00 0.00 C ATOM 0 H LEU A 59 -3.690 2.209 0.005 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.838 0.116 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.470 1.174 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.166 0.232 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.275 -0.972 -0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.980 -3.046 -0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.246 -2.172 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.661 -2.095 -1.573 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.805 -1.833 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.475 -0.829 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.935 -0.059 1.311 1.00 0.00 H new ATOM 965 N SER A 60 -2.701 1.442 -2.991 1.00 0.00 N ATOM 966 CA SER A 60 -2.030 1.450 -4.285 1.00 0.00 C ATOM 967 C SER A 60 -0.514 1.431 -4.110 1.00 0.00 C ATOM 968 O SER A 60 0.040 2.216 -3.341 1.00 0.00 O ATOM 969 CB SER A 60 -2.448 2.681 -5.093 1.00 0.00 C ATOM 970 OG SER A 60 -3.538 2.382 -5.949 1.00 0.00 O ATOM 0 H SER A 60 -2.264 2.034 -2.285 1.00 0.00 H new ATOM 0 HA SER A 60 -2.327 0.552 -4.827 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.725 3.488 -4.415 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.604 3.036 -5.684 1.00 0.00 H new ATOM 0 HG SER A 60 -3.788 3.184 -6.453 1.00 0.00 H new ATOM 976 N SER A 61 0.151 0.532 -4.829 1.00 0.00 N ATOM 977 CA SER A 61 1.603 0.416 -4.747 1.00 0.00 C ATOM 978 C SER A 61 2.280 1.312 -5.779 1.00 0.00 C ATOM 979 O SER A 61 2.630 0.866 -6.872 1.00 0.00 O ATOM 980 CB SER A 61 2.030 -1.039 -4.956 1.00 0.00 C ATOM 981 OG SER A 61 0.985 -1.803 -5.534 1.00 0.00 O ATOM 0 H SER A 61 -0.290 -0.125 -5.473 1.00 0.00 H new ATOM 0 HA SER A 61 1.914 0.740 -3.754 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.908 -1.074 -5.600 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.318 -1.477 -4.000 1.00 0.00 H new ATOM 0 HG SER A 61 0.292 -1.970 -4.862 1.00 0.00 H new ATOM 987 N ASP A 62 2.465 2.579 -5.422 1.00 0.00 N ATOM 988 CA ASP A 62 3.106 3.542 -6.311 1.00 0.00 C ATOM 989 C ASP A 62 4.292 4.212 -5.621 1.00 0.00 C ATOM 990 O ASP A 62 4.288 4.395 -4.406 1.00 0.00 O ATOM 991 CB ASP A 62 2.097 4.598 -6.766 1.00 0.00 C ATOM 992 CG ASP A 62 1.627 4.373 -8.190 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.774 3.238 -8.691 1.00 0.00 O ATOM 994 OD2 ASP A 62 1.115 5.332 -8.806 1.00 0.00 O ATOM 0 H ASP A 62 2.179 2.963 -4.521 1.00 0.00 H new ATOM 0 HA ASP A 62 3.475 3.005 -7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.237 4.587 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.549 5.587 -6.688 1.00 0.00 H new ATOM 999 N PRO A 63 5.327 4.589 -6.389 1.00 0.00 N ATOM 1000 CA PRO A 63 6.515 5.240 -5.842 1.00 0.00 C ATOM 1001 C PRO A 63 6.253 6.696 -5.471 1.00 0.00 C ATOM 1002 O PRO A 63 6.527 7.121 -4.350 1.00 0.00 O ATOM 1003 CB PRO A 63 7.548 5.151 -6.976 1.00 0.00 C ATOM 1004 CG PRO A 63 6.911 4.336 -8.058 1.00 0.00 C ATOM 1005 CD PRO A 63 5.428 4.419 -7.841 1.00 0.00 C ATOM 0 HA PRO A 63 6.847 4.762 -4.920 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.812 6.144 -7.341 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.469 4.684 -6.628 1.00 0.00 H new ATOM 0 HG2 PRO A 63 7.181 4.720 -9.042 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.252 3.301 -8.015 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.986 5.257 -8.379 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.917 3.518 -8.180 1.00 0.00 H new ATOM 1013 N GLU A 64 5.721 7.457 -6.423 1.00 0.00 N ATOM 1014 CA GLU A 64 5.423 8.867 -6.197 1.00 0.00 C ATOM 1015 C GLU A 64 4.329 9.032 -5.147 1.00 0.00 C ATOM 1016 O GLU A 64 4.321 10.005 -4.392 1.00 0.00 O ATOM 1017 CB GLU A 64 4.993 9.535 -7.506 1.00 0.00 C ATOM 1018 CG GLU A 64 3.961 8.737 -8.285 1.00 0.00 C ATOM 1019 CD GLU A 64 4.566 7.978 -9.447 1.00 0.00 C ATOM 1020 OE1 GLU A 64 5.697 7.468 -9.299 1.00 0.00 O ATOM 1021 OE2 GLU A 64 3.911 7.891 -10.508 1.00 0.00 O ATOM 0 H GLU A 64 5.488 7.121 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 64 6.329 9.349 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.586 10.521 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.872 9.687 -8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.469 8.033 -7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.191 9.413 -8.659 1.00 0.00 H new ATOM 1028 N VAL A 65 3.407 8.075 -5.104 1.00 0.00 N ATOM 1029 CA VAL A 65 2.310 8.115 -4.144 1.00 0.00 C ATOM 1030 C VAL A 65 2.808 7.828 -2.733 1.00 0.00 C ATOM 1031 O VAL A 65 2.480 8.544 -1.788 1.00 0.00 O ATOM 1032 CB VAL A 65 1.211 7.098 -4.501 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.000 7.277 -3.598 1.00 0.00 C ATOM 1034 CG2 VAL A 65 0.813 7.226 -5.965 1.00 0.00 C ATOM 0 H VAL A 65 3.398 7.264 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 65 1.891 9.120 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 65 1.610 6.096 -4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.765 6.549 -3.867 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.295 7.127 -2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.399 8.284 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.035 6.498 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.436 8.231 -6.153 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.682 7.040 -6.596 1.00 0.00 H new ATOM 1044 N LEU A 66 3.600 6.769 -2.599 1.00 0.00 N ATOM 1045 CA LEU A 66 4.144 6.380 -1.306 1.00 0.00 C ATOM 1046 C LEU A 66 5.206 7.372 -0.828 1.00 0.00 C ATOM 1047 O LEU A 66 5.541 7.410 0.356 1.00 0.00 O ATOM 1048 CB LEU A 66 4.737 4.972 -1.386 1.00 0.00 C ATOM 1049 CG LEU A 66 3.713 3.848 -1.570 1.00 0.00 C ATOM 1050 CD1 LEU A 66 4.387 2.490 -1.466 1.00 0.00 C ATOM 1051 CD2 LEU A 66 2.594 3.972 -0.547 1.00 0.00 C ATOM 0 H LEU A 66 3.879 6.165 -3.372 1.00 0.00 H new ATOM 0 HA LEU A 66 3.329 6.385 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.444 4.938 -2.215 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.304 4.781 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 66 3.278 3.938 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.644 1.704 -1.599 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.150 2.403 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.851 2.388 -0.485 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.876 3.165 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.011 3.909 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.092 4.931 -0.672 1.00 0.00 H new ATOM 1063 N LEU A 67 5.730 8.174 -1.753 1.00 0.00 N ATOM 1064 CA LEU A 67 6.748 9.164 -1.417 1.00 0.00 C ATOM 1065 C LEU A 67 6.127 10.363 -0.706 1.00 0.00 C ATOM 1066 O LEU A 67 6.728 10.941 0.200 1.00 0.00 O ATOM 1067 CB LEU A 67 7.472 9.628 -2.682 1.00 0.00 C ATOM 1068 CG LEU A 67 8.847 10.259 -2.453 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.728 11.505 -1.588 1.00 0.00 C ATOM 1070 CD2 LEU A 67 9.799 9.252 -1.820 1.00 0.00 C ATOM 0 H LEU A 67 5.466 8.157 -2.738 1.00 0.00 H new ATOM 0 HA LEU A 67 7.467 8.697 -0.744 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.589 8.773 -3.348 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.840 10.351 -3.198 1.00 0.00 H new ATOM 0 HG LEU A 67 9.255 10.554 -3.420 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.716 11.939 -1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.085 12.232 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.297 11.238 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.772 9.719 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.397 8.924 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.911 8.392 -2.480 1.00 0.00 H new ATOM 1082 N GLN A 68 4.920 10.731 -1.123 1.00 0.00 N ATOM 1083 CA GLN A 68 4.215 11.863 -0.530 1.00 0.00 C ATOM 1084 C GLN A 68 3.640 11.515 0.846 1.00 0.00 C ATOM 1085 O GLN A 68 3.069 12.371 1.520 1.00 0.00 O ATOM 1086 CB GLN A 68 3.090 12.328 -1.456 1.00 0.00 C ATOM 1087 CG GLN A 68 3.582 12.858 -2.795 1.00 0.00 C ATOM 1088 CD GLN A 68 3.782 14.361 -2.789 1.00 0.00 C ATOM 1089 OE1 GLN A 68 4.910 14.848 -2.702 1.00 0.00 O ATOM 1090 NE2 GLN A 68 2.686 15.105 -2.882 1.00 0.00 N ATOM 0 H GLN A 68 4.409 10.261 -1.870 1.00 0.00 H new ATOM 0 HA GLN A 68 4.938 12.668 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.409 11.496 -1.632 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.517 13.108 -0.954 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.523 12.371 -3.051 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.865 12.594 -3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.771 14.659 -2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.759 16.122 -2.883 1.00 0.00 H new ATOM 1099 N ILE A 69 3.795 10.259 1.260 1.00 0.00 N ATOM 1100 CA ILE A 69 3.287 9.816 2.553 1.00 0.00 C ATOM 1101 C ILE A 69 3.988 10.544 3.695 1.00 0.00 C ATOM 1102 O ILE A 69 5.155 10.921 3.581 1.00 0.00 O ATOM 1103 CB ILE A 69 3.469 8.297 2.739 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.877 7.541 1.547 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.825 7.836 4.039 1.00 0.00 C ATOM 1106 CD1 ILE A 69 1.378 7.686 1.416 1.00 0.00 C ATOM 0 H ILE A 69 4.267 9.534 0.720 1.00 0.00 H new ATOM 0 HA ILE A 69 2.223 10.051 2.573 1.00 0.00 H new ATOM 0 HB ILE A 69 4.536 8.080 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.349 7.898 0.632 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.124 6.483 1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.964 6.761 4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.290 8.353 4.879 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.759 8.064 4.018 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.032 7.123 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.895 7.302 2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 69 1.124 8.738 1.290 1.00 0.00 H new ATOM 1118 N ASP A 70 3.269 10.741 4.796 1.00 0.00 N ATOM 1119 CA ASP A 70 3.821 11.424 5.960 1.00 0.00 C ATOM 1120 C ASP A 70 4.906 10.582 6.625 1.00 0.00 C ATOM 1121 O ASP A 70 4.638 9.492 7.128 1.00 0.00 O ATOM 1122 CB ASP A 70 2.713 11.736 6.967 1.00 0.00 C ATOM 1123 CG ASP A 70 3.083 12.873 7.900 1.00 0.00 C ATOM 1124 OD1 ASP A 70 3.040 14.040 7.458 1.00 0.00 O ATOM 1125 OD2 ASP A 70 3.413 12.596 9.072 1.00 0.00 O ATOM 0 H ASP A 70 2.302 10.437 4.906 1.00 0.00 H new ATOM 0 HA ASP A 70 4.270 12.358 5.621 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.800 11.993 6.430 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.497 10.843 7.554 1.00 0.00 H new ATOM 1130 N GLY A 71 6.132 11.097 6.625 1.00 0.00 N ATOM 1131 CA GLY A 71 7.237 10.381 7.233 1.00 0.00 C ATOM 1132 C GLY A 71 8.110 9.680 6.211 1.00 0.00 C ATOM 1133 O GLY A 71 9.312 9.518 6.416 1.00 0.00 O ATOM 0 H GLY A 71 6.379 11.998 6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.846 11.079 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.846 9.646 7.936 1.00 0.00 H new ATOM 1137 N VAL A 72 7.503 9.262 5.104 1.00 0.00 N ATOM 1138 CA VAL A 72 8.232 8.573 4.045 1.00 0.00 C ATOM 1139 C VAL A 72 9.018 9.558 3.187 1.00 0.00 C ATOM 1140 O VAL A 72 8.447 10.472 2.591 1.00 0.00 O ATOM 1141 CB VAL A 72 7.282 7.765 3.141 1.00 0.00 C ATOM 1142 CG1 VAL A 72 8.072 6.921 2.153 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.361 6.894 3.981 1.00 0.00 C ATOM 0 H VAL A 72 6.508 9.389 4.917 1.00 0.00 H new ATOM 0 HA VAL A 72 8.925 7.888 4.534 1.00 0.00 H new ATOM 0 HB VAL A 72 6.667 8.464 2.574 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.383 6.358 1.523 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.686 7.571 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.714 6.229 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.697 6.330 3.326 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.957 6.202 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.768 7.525 4.644 1.00 0.00 H new ATOM 1153 N THR A 73 10.332 9.366 3.128 1.00 0.00 N ATOM 1154 CA THR A 73 11.197 10.238 2.341 1.00 0.00 C ATOM 1155 C THR A 73 11.699 9.521 1.092 1.00 0.00 C ATOM 1156 O THR A 73 11.332 8.374 0.833 1.00 0.00 O ATOM 1157 CB THR A 73 12.384 10.709 3.183 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.833 9.674 4.041 1.00 0.00 O ATOM 1159 CG2 THR A 73 12.066 11.913 4.045 1.00 0.00 C ATOM 0 H THR A 73 10.821 8.615 3.615 1.00 0.00 H new ATOM 0 HA THR A 73 10.613 11.105 2.032 1.00 0.00 H new ATOM 0 HB THR A 73 13.154 10.989 2.465 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.676 9.942 4.463 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.950 12.195 4.616 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.763 12.745 3.410 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.255 11.666 4.730 1.00 0.00 H new ATOM 1167 N GLU A 74 12.538 10.204 0.320 1.00 0.00 N ATOM 1168 CA GLU A 74 13.089 9.634 -0.903 1.00 0.00 C ATOM 1169 C GLU A 74 13.958 8.413 -0.599 1.00 0.00 C ATOM 1170 O GLU A 74 14.130 7.538 -1.447 1.00 0.00 O ATOM 1171 CB GLU A 74 13.908 10.685 -1.656 1.00 0.00 C ATOM 1172 CG GLU A 74 13.504 10.842 -3.114 1.00 0.00 C ATOM 1173 CD GLU A 74 13.924 9.659 -3.964 1.00 0.00 C ATOM 1174 OE1 GLU A 74 15.136 9.522 -4.236 1.00 0.00 O ATOM 1175 OE2 GLU A 74 13.040 8.870 -4.362 1.00 0.00 O ATOM 0 H GLU A 74 12.851 11.154 0.520 1.00 0.00 H new ATOM 0 HA GLU A 74 12.257 9.313 -1.529 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.801 11.646 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.963 10.415 -1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.423 10.965 -3.177 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.952 11.751 -3.516 1.00 0.00 H new ATOM 1182 N ASP A 75 14.505 8.364 0.612 1.00 0.00 N ATOM 1183 CA ASP A 75 15.355 7.254 1.020 1.00 0.00 C ATOM 1184 C ASP A 75 14.523 6.073 1.512 1.00 0.00 C ATOM 1185 O ASP A 75 14.955 4.923 1.432 1.00 0.00 O ATOM 1186 CB ASP A 75 16.323 7.702 2.118 1.00 0.00 C ATOM 1187 CG ASP A 75 15.612 8.384 3.271 1.00 0.00 C ATOM 1188 OD1 ASP A 75 14.933 7.682 4.049 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.733 9.621 3.394 1.00 0.00 O ATOM 0 H ASP A 75 14.374 9.080 1.326 1.00 0.00 H new ATOM 0 HA ASP A 75 15.925 6.932 0.148 1.00 0.00 H new ATOM 0 HB2 ASP A 75 16.870 6.836 2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.059 8.385 1.694 1.00 0.00 H new ATOM 1194 N LYS A 76 13.333 6.362 2.026 1.00 0.00 N ATOM 1195 CA LYS A 76 12.446 5.321 2.532 1.00 0.00 C ATOM 1196 C LYS A 76 11.798 4.545 1.389 1.00 0.00 C ATOM 1197 O LYS A 76 11.613 3.332 1.476 1.00 0.00 O ATOM 1198 CB LYS A 76 11.363 5.934 3.423 1.00 0.00 C ATOM 1199 CG LYS A 76 11.886 6.423 4.765 1.00 0.00 C ATOM 1200 CD LYS A 76 10.921 6.095 5.891 1.00 0.00 C ATOM 1201 CE LYS A 76 11.088 7.050 7.063 1.00 0.00 C ATOM 1202 NZ LYS A 76 9.922 7.006 7.987 1.00 0.00 N ATOM 0 H LYS A 76 12.960 7.308 2.103 1.00 0.00 H new ATOM 0 HA LYS A 76 13.046 4.627 3.121 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.900 6.769 2.897 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.582 5.193 3.594 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.854 5.965 4.969 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.046 7.500 4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.897 6.147 5.521 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.087 5.072 6.227 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.995 6.796 7.611 1.00 0.00 H new ATOM 0 HE3 LYS A 76 11.216 8.066 6.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.258 7.022 8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.312 7.831 7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 9.380 6.134 7.821 1.00 0.00 H new ATOM 1216 N LEU A 77 11.455 5.255 0.319 1.00 0.00 N ATOM 1217 CA LEU A 77 10.826 4.632 -0.841 1.00 0.00 C ATOM 1218 C LEU A 77 11.861 3.934 -1.721 1.00 0.00 C ATOM 1219 O LEU A 77 11.526 3.047 -2.503 1.00 0.00 O ATOM 1220 CB LEU A 77 10.068 5.681 -1.658 1.00 0.00 C ATOM 1221 CG LEU A 77 8.773 5.187 -2.310 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.040 3.959 -3.164 1.00 0.00 C ATOM 1223 CD2 LEU A 77 7.722 4.884 -1.251 1.00 0.00 C ATOM 0 H LEU A 77 11.602 6.261 0.231 1.00 0.00 H new ATOM 0 HA LEU A 77 10.123 3.881 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 77 9.831 6.523 -1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 77 10.729 6.058 -2.439 1.00 0.00 H new ATOM 0 HG LEU A 77 8.391 5.978 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.108 3.623 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.756 4.209 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.447 3.163 -2.540 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.809 4.534 -1.734 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.095 4.112 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.508 5.789 -0.682 1.00 0.00 H new ATOM 1235 N GLU A 78 13.121 4.341 -1.593 1.00 0.00 N ATOM 1236 CA GLU A 78 14.195 3.750 -2.382 1.00 0.00 C ATOM 1237 C GLU A 78 14.840 2.576 -1.648 1.00 0.00 C ATOM 1238 O GLU A 78 15.359 1.653 -2.275 1.00 0.00 O ATOM 1239 CB GLU A 78 15.256 4.803 -2.709 1.00 0.00 C ATOM 1240 CG GLU A 78 15.851 4.655 -4.099 1.00 0.00 C ATOM 1241 CD GLU A 78 16.553 5.914 -4.570 1.00 0.00 C ATOM 1242 OE1 GLU A 78 15.932 6.996 -4.516 1.00 0.00 O ATOM 1243 OE2 GLU A 78 17.724 5.818 -4.993 1.00 0.00 O ATOM 0 H GLU A 78 13.422 5.075 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 78 13.760 3.377 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.813 5.794 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.056 4.741 -1.972 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.559 3.826 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.060 4.399 -4.804 1.00 0.00 H new ATOM 1250 N LYS A 79 14.813 2.621 -0.319 1.00 0.00 N ATOM 1251 CA LYS A 79 15.405 1.562 0.492 1.00 0.00 C ATOM 1252 C LYS A 79 14.357 0.539 0.927 1.00 0.00 C ATOM 1253 O LYS A 79 14.482 -0.650 0.637 1.00 0.00 O ATOM 1254 CB LYS A 79 16.090 2.159 1.722 1.00 0.00 C ATOM 1255 CG LYS A 79 17.131 1.244 2.344 1.00 0.00 C ATOM 1256 CD LYS A 79 17.740 1.860 3.592 1.00 0.00 C ATOM 1257 CE LYS A 79 17.029 1.389 4.851 1.00 0.00 C ATOM 1258 NZ LYS A 79 17.492 2.125 6.059 1.00 0.00 N ATOM 0 H LYS A 79 14.389 3.377 0.218 1.00 0.00 H new ATOM 0 HA LYS A 79 16.145 1.048 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.566 3.099 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.333 2.395 2.470 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.672 0.288 2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.917 1.039 1.617 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.796 1.598 3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 79 17.685 2.947 3.527 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.954 1.525 4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 79 17.202 0.322 4.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.983 1.774 6.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.513 1.975 6.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 17.304 3.141 5.940 1.00 0.00 H new ATOM 1272 N TYR A 80 13.332 1.007 1.629 1.00 0.00 N ATOM 1273 CA TYR A 80 12.271 0.128 2.109 1.00 0.00 C ATOM 1274 C TYR A 80 11.242 -0.145 1.018 1.00 0.00 C ATOM 1275 O TYR A 80 10.591 -1.190 1.015 1.00 0.00 O ATOM 1276 CB TYR A 80 11.582 0.741 3.329 1.00 0.00 C ATOM 1277 CG TYR A 80 12.432 0.725 4.581 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.221 -0.376 4.896 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.446 1.811 5.446 1.00 0.00 C ATOM 1280 CE1 TYR A 80 13.996 -0.392 6.040 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.221 1.801 6.590 1.00 0.00 C ATOM 1282 CZ TYR A 80 13.995 0.698 6.882 1.00 0.00 C ATOM 1283 OH TYR A 80 14.767 0.686 8.021 1.00 0.00 O ATOM 0 H TYR A 80 13.212 1.989 1.879 1.00 0.00 H new ATOM 0 HA TYR A 80 12.729 -0.819 2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.307 1.771 3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.656 0.199 3.522 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.228 -1.231 4.237 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.842 2.677 5.221 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.600 -1.256 6.273 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.220 2.654 7.253 1.00 0.00 H new ATOM 0 HH TYR A 80 14.652 1.532 8.503 1.00 0.00 H new ATOM 1293 N GLY A 81 11.098 0.797 0.090 1.00 0.00 N ATOM 1294 CA GLY A 81 10.142 0.637 -0.993 1.00 0.00 C ATOM 1295 C GLY A 81 10.236 -0.722 -1.662 1.00 0.00 C ATOM 1296 O GLY A 81 9.251 -1.228 -2.198 1.00 0.00 O ATOM 0 H GLY A 81 11.627 1.669 0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.133 0.777 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.309 1.416 -1.737 1.00 0.00 H new ATOM 1300 N ALA A 82 11.423 -1.316 -1.628 1.00 0.00 N ATOM 1301 CA ALA A 82 11.638 -2.622 -2.236 1.00 0.00 C ATOM 1302 C ALA A 82 10.891 -3.713 -1.474 1.00 0.00 C ATOM 1303 O ALA A 82 10.507 -4.732 -2.048 1.00 0.00 O ATOM 1304 CB ALA A 82 13.125 -2.940 -2.291 1.00 0.00 C ATOM 0 H ALA A 82 12.250 -0.914 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 82 11.245 -2.591 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.271 -3.919 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.637 -2.183 -2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.533 -2.947 -1.280 1.00 0.00 H new ATOM 1310 N GLU A 83 10.689 -3.494 -0.178 1.00 0.00 N ATOM 1311 CA GLU A 83 9.990 -4.461 0.661 1.00 0.00 C ATOM 1312 C GLU A 83 8.513 -4.103 0.806 1.00 0.00 C ATOM 1313 O GLU A 83 7.638 -4.871 0.406 1.00 0.00 O ATOM 1314 CB GLU A 83 10.646 -4.538 2.041 1.00 0.00 C ATOM 1315 CG GLU A 83 10.754 -5.954 2.584 1.00 0.00 C ATOM 1316 CD GLU A 83 11.933 -6.711 2.004 1.00 0.00 C ATOM 1317 OE1 GLU A 83 12.868 -6.057 1.497 1.00 0.00 O ATOM 1318 OE2 GLU A 83 11.921 -7.959 2.057 1.00 0.00 O ATOM 0 H GLU A 83 10.999 -2.656 0.313 1.00 0.00 H new ATOM 0 HA GLU A 83 10.058 -5.435 0.176 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.643 -4.102 1.985 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.072 -3.932 2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.849 -5.917 3.669 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.834 -6.496 2.362 1.00 0.00 H new ATOM 1325 N VAL A 84 8.243 -2.936 1.388 1.00 0.00 N ATOM 1326 CA VAL A 84 6.867 -2.484 1.591 1.00 0.00 C ATOM 1327 C VAL A 84 6.036 -2.629 0.319 1.00 0.00 C ATOM 1328 O VAL A 84 4.976 -3.255 0.330 1.00 0.00 O ATOM 1329 CB VAL A 84 6.807 -1.018 2.067 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.146 -0.923 3.547 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.734 -0.137 1.240 1.00 0.00 C ATOM 0 H VAL A 84 8.955 -2.289 1.726 1.00 0.00 H new ATOM 0 HA VAL A 84 6.448 -3.124 2.368 1.00 0.00 H new ATOM 0 HB VAL A 84 5.789 -0.656 1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.099 0.119 3.865 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.431 -1.511 4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.152 -1.308 3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.672 0.891 1.596 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.759 -0.494 1.338 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.435 -0.177 0.193 1.00 0.00 H new ATOM 1341 N ILE A 85 6.520 -2.051 -0.780 1.00 0.00 N ATOM 1342 CA ILE A 85 5.810 -2.127 -2.051 1.00 0.00 C ATOM 1343 C ILE A 85 5.593 -3.577 -2.468 1.00 0.00 C ATOM 1344 O ILE A 85 4.625 -3.894 -3.154 1.00 0.00 O ATOM 1345 CB ILE A 85 6.564 -1.387 -3.174 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.836 0.063 -2.765 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.766 -1.436 -4.473 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.493 0.885 -3.852 1.00 0.00 C ATOM 0 H ILE A 85 7.395 -1.529 -0.814 1.00 0.00 H new ATOM 0 HA ILE A 85 4.845 -1.642 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 85 7.519 -1.885 -3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.895 0.535 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.473 0.069 -1.881 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.312 -0.909 -5.256 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.618 -2.474 -4.770 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.797 -0.960 -4.323 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.656 1.901 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.450 0.437 -4.119 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.847 0.910 -4.730 1.00 0.00 H new ATOM 1360 N SER A 86 6.494 -4.457 -2.042 1.00 0.00 N ATOM 1361 CA SER A 86 6.384 -5.873 -2.370 1.00 0.00 C ATOM 1362 C SER A 86 5.054 -6.427 -1.870 1.00 0.00 C ATOM 1363 O SER A 86 4.463 -7.312 -2.488 1.00 0.00 O ATOM 1364 CB SER A 86 7.544 -6.655 -1.752 1.00 0.00 C ATOM 1365 OG SER A 86 7.982 -7.688 -2.617 1.00 0.00 O ATOM 0 H SER A 86 7.304 -4.216 -1.472 1.00 0.00 H new ATOM 0 HA SER A 86 6.427 -5.983 -3.454 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.372 -5.978 -1.541 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.232 -7.083 -0.799 1.00 0.00 H new ATOM 0 HG SER A 86 8.725 -8.171 -2.199 1.00 0.00 H new ATOM 1371 N VAL A 87 4.591 -5.888 -0.747 1.00 0.00 N ATOM 1372 CA VAL A 87 3.328 -6.310 -0.152 1.00 0.00 C ATOM 1373 C VAL A 87 2.162 -5.472 -0.672 1.00 0.00 C ATOM 1374 O VAL A 87 1.004 -5.877 -0.567 1.00 0.00 O ATOM 1375 CB VAL A 87 3.370 -6.203 1.385 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.160 -6.886 2.002 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.661 -6.798 1.929 1.00 0.00 C ATOM 0 H VAL A 87 5.074 -5.155 -0.228 1.00 0.00 H new ATOM 0 HA VAL A 87 3.179 -7.351 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 87 3.341 -5.148 1.656 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.208 -6.800 3.088 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.249 -6.409 1.640 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.154 -7.939 1.722 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.671 -6.713 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.725 -7.849 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.513 -6.259 1.515 1.00 0.00 H new ATOM 1387 N LEU A 88 2.471 -4.296 -1.216 1.00 0.00 N ATOM 1388 CA LEU A 88 1.440 -3.400 -1.731 1.00 0.00 C ATOM 1389 C LEU A 88 1.086 -3.705 -3.185 1.00 0.00 C ATOM 1390 O LEU A 88 0.074 -3.223 -3.695 1.00 0.00 O ATOM 1391 CB LEU A 88 1.893 -1.944 -1.602 1.00 0.00 C ATOM 1392 CG LEU A 88 1.791 -1.354 -0.191 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.153 -0.886 0.294 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.785 -0.209 -0.155 1.00 0.00 C ATOM 0 H LEU A 88 3.423 -3.943 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 88 0.544 -3.560 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.928 -1.871 -1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.296 -1.333 -2.279 1.00 0.00 H new ATOM 0 HG LEU A 88 1.439 -2.137 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.059 -0.471 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.842 -1.730 0.314 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.536 -0.121 -0.381 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.729 0.194 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.102 0.576 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.196 -0.577 -0.453 1.00 0.00 H new ATOM 1406 N GLN A 89 1.916 -4.497 -3.854 1.00 0.00 N ATOM 1407 CA GLN A 89 1.673 -4.848 -5.249 1.00 0.00 C ATOM 1408 C GLN A 89 0.289 -5.469 -5.423 1.00 0.00 C ATOM 1409 O GLN A 89 -0.394 -5.223 -6.419 1.00 0.00 O ATOM 1410 CB GLN A 89 2.748 -5.817 -5.747 1.00 0.00 C ATOM 1411 CG GLN A 89 2.559 -6.246 -7.193 1.00 0.00 C ATOM 1412 CD GLN A 89 3.624 -7.223 -7.654 1.00 0.00 C ATOM 1413 OE1 GLN A 89 3.633 -8.387 -7.254 1.00 0.00 O ATOM 1414 NE2 GLN A 89 4.531 -6.752 -8.503 1.00 0.00 N ATOM 0 H GLN A 89 2.760 -4.907 -3.455 1.00 0.00 H new ATOM 0 HA GLN A 89 1.716 -3.933 -5.840 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.726 -5.347 -5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.749 -6.703 -5.111 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.577 -6.704 -7.307 1.00 0.00 H new ATOM 0 HG3 GLN A 89 2.576 -5.365 -7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.487 -5.780 -8.809 1.00 0.00 H new ATOM 0 HE22 GLN A 89 5.272 -7.362 -8.849 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.118 -6.272 -4.445 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.419 -6.930 -4.485 1.00 0.00 C ATOM 1425 C LYS A 90 -2.554 -5.909 -4.482 1.00 0.00 C ATOM 1426 O LYS A 90 -3.639 -6.174 -4.997 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.569 -7.878 -3.294 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.348 -8.753 -3.056 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.739 -10.198 -2.786 1.00 0.00 C ATOM 1430 CE LYS A 90 -1.319 -10.368 -1.392 1.00 0.00 C ATOM 1431 NZ LYS A 90 -1.698 -11.781 -1.114 1.00 0.00 N ATOM 0 H LYS A 90 0.435 -6.483 -3.614 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.477 -7.503 -5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.767 -7.292 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.438 -8.516 -3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.307 -8.709 -3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.219 -8.365 -2.210 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.470 -10.523 -3.527 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.135 -10.839 -2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.590 -10.036 -0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -2.196 -9.729 -1.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.089 -11.853 -0.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.413 -12.091 -1.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.857 -12.388 -1.192 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.298 -4.741 -3.899 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.302 -3.684 -3.832 1.00 0.00 C ATOM 1447 C TYR A 91 -3.539 -3.071 -5.207 1.00 0.00 C ATOM 1448 O TYR A 91 -4.676 -2.972 -5.666 1.00 0.00 O ATOM 1449 CB TYR A 91 -2.866 -2.596 -2.850 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.430 -3.126 -1.500 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.925 -4.325 -1.001 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.511 -2.425 -0.731 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.514 -4.808 0.227 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.099 -2.902 0.497 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.601 -4.094 0.971 1.00 0.00 C ATOM 1456 OH TYR A 91 -1.186 -4.575 2.189 1.00 0.00 O ATOM 0 H TYR A 91 -1.405 -4.503 -3.467 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.234 -4.128 -3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.044 -2.031 -3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.691 -1.898 -2.706 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.641 -4.888 -1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.112 -1.491 -1.099 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.907 -5.742 0.602 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.386 -2.343 1.084 1.00 0.00 H new ATOM 0 HH TYR A 91 -1.171 -5.555 2.166 1.00 0.00 H new ATOM 1466 N SER A 92 -2.455 -2.657 -5.859 1.00 0.00 N ATOM 1467 CA SER A 92 -2.542 -2.049 -7.182 1.00 0.00 C ATOM 1468 C SER A 92 -3.324 -2.939 -8.146 1.00 0.00 C ATOM 1469 O SER A 92 -3.908 -2.455 -9.117 1.00 0.00 O ATOM 1470 CB SER A 92 -1.140 -1.783 -7.735 1.00 0.00 C ATOM 1471 OG SER A 92 -0.792 -0.415 -7.603 1.00 0.00 O ATOM 0 H SER A 92 -1.506 -2.732 -5.492 1.00 0.00 H new ATOM 0 HA SER A 92 -3.074 -1.102 -7.084 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.414 -2.399 -7.205 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.099 -2.073 -8.785 1.00 0.00 H new ATOM 0 HG SER A 92 0.108 -0.270 -7.962 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.330 -4.240 -7.874 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.041 -5.193 -8.719 1.00 0.00 C ATOM 1479 C GLU A 93 -5.455 -5.440 -8.196 1.00 0.00 C ATOM 1480 O GLU A 93 -6.361 -5.769 -8.963 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.275 -6.514 -8.790 1.00 0.00 C ATOM 1482 CG GLU A 93 -1.921 -6.395 -9.470 1.00 0.00 C ATOM 1483 CD GLU A 93 -1.652 -7.529 -10.439 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -1.769 -8.704 -10.026 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -1.327 -7.245 -11.610 1.00 0.00 O ATOM 0 H GLU A 93 -2.851 -4.658 -7.076 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.113 -4.767 -9.720 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.133 -6.897 -7.779 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.879 -7.246 -9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.869 -5.446 -10.004 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.138 -6.377 -8.712 1.00 0.00 H new