USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 522 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 41 THR OG1 : rot 6:sc= 0.656 USER MOD Set 1.2: A 107 ASN : amide:sc= 0.979 K(o=1.6,f=-2.2!) USER MOD Set 2.1: A 70 LYS NZ :NH3+ -133:sc= 0.0474 (180deg=0) USER MOD Set 2.2: A 88 TYR OH : rot 30:sc= 0 USER MOD Set 3.1: A 36 SER OG : rot -95:sc= 1.05 USER MOD Set 3.2: A 43 SER OG : rot -60:sc= 1.08 USER MOD Single : A 19 LYS NZ :NH3+ -158:sc= 1.23 (180deg=0.335) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -0.016 K(o=-0.016,f=-1.3) USER MOD Single : A 27 GLN : amide:sc= 1.23 K(o=1.2,f=-0.081) USER MOD Single : A 30 GLN : amide:sc= 0.00308 X(o=0.0031,f=0) USER MOD Single : A 31 SER OG : rot 61:sc= 0.731 USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 1.53 (180deg=1.17) USER MOD Single : A 33 GLN : amide:sc= -0.0432 K(o=-0.043,f=-0.74) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.237 K(o=0.24,f=-1.5!) USER MOD Single : A 55 TYR OH : rot 95:sc= 1.21 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 73 THR OG1 : rot -124:sc= 1.12 USER MOD Single : A 78 ASN : amide:sc= 0.474 K(o=0.47,f=-2.4!) USER MOD Single : A 80 GLN : amide:sc= 0.074 X(o=0.074,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 -0.779 0.451 3.895 1.00 0.00 N ATOM 265 CA ILE A 18 -0.624 1.910 4.180 1.00 0.00 C ATOM 266 C ILE A 18 -0.192 2.307 5.625 1.00 0.00 C ATOM 267 O ILE A 18 0.619 3.229 5.757 1.00 0.00 O ATOM 268 CB ILE A 18 -1.965 2.630 3.757 1.00 0.00 C ATOM 269 CG1 ILE A 18 -2.272 2.537 2.246 1.00 0.00 C ATOM 270 CG2 ILE A 18 -2.118 4.095 4.214 1.00 0.00 C ATOM 271 CD1 ILE A 18 -1.147 2.894 1.290 1.00 0.00 C ATOM 0 HA ILE A 18 0.228 2.245 3.589 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.702 2.049 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.592 1.518 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.118 3.189 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.075 4.486 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.079 4.143 5.302 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.308 4.693 3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.495 2.787 0.263 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.836 3.924 1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.301 2.227 1.458 1.00 0.00 H new ATOM 283 N LYS A 19 -0.770 1.724 6.681 1.00 0.00 N ATOM 284 CA LYS A 19 -0.435 2.110 8.077 1.00 0.00 C ATOM 285 C LYS A 19 -0.395 0.975 9.145 1.00 0.00 C ATOM 286 O LYS A 19 0.146 1.239 10.222 1.00 0.00 O ATOM 287 CB LYS A 19 -1.311 3.287 8.567 1.00 0.00 C ATOM 288 CG LYS A 19 -0.893 4.664 8.013 1.00 0.00 C ATOM 289 CD LYS A 19 -1.569 5.792 8.806 1.00 0.00 C ATOM 290 CE LYS A 19 -1.130 7.205 8.413 1.00 0.00 C ATOM 291 NZ LYS A 19 0.296 7.442 8.778 1.00 0.00 N ATOM 0 H LYS A 19 -1.470 0.986 6.608 1.00 0.00 H new ATOM 0 HA LYS A 19 0.607 2.418 7.992 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.347 3.095 8.286 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.277 3.321 9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.190 4.771 8.069 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.167 4.737 6.960 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.648 5.713 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.364 5.645 9.866 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.263 7.346 7.340 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.764 7.938 8.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.469 8.464 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.502 6.985 9.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.914 7.042 8.043 1.00 0.00 H new ATOM 305 N GLN A 20 -0.866 -0.258 8.886 1.00 0.00 N ATOM 306 CA GLN A 20 -0.664 -1.401 9.830 1.00 0.00 C ATOM 307 C GLN A 20 0.831 -1.704 10.189 1.00 0.00 C ATOM 308 O GLN A 20 1.116 -1.919 11.369 1.00 0.00 O ATOM 309 CB GLN A 20 -1.395 -2.627 9.246 1.00 0.00 C ATOM 310 CG GLN A 20 -1.690 -3.779 10.230 1.00 0.00 C ATOM 311 CD GLN A 20 -3.006 -3.628 10.988 1.00 0.00 C ATOM 312 OE1 GLN A 20 -3.113 -2.890 11.962 1.00 0.00 O ATOM 313 NE2 GLN A 20 -4.051 -4.298 10.559 1.00 0.00 N ATOM 0 H GLN A 20 -1.386 -0.500 8.042 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.090 -1.124 10.794 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.340 -2.291 8.819 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.797 -3.023 8.425 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.706 -4.719 9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.874 -3.846 10.950 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.966 -4.913 9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.948 -4.204 11.035 1.00 0.00 H new ATOM 322 N ASN A 21 1.770 -1.670 9.211 1.00 0.00 N ATOM 323 CA ASN A 21 3.218 -1.545 9.522 1.00 0.00 C ATOM 324 C ASN A 21 4.097 -0.906 8.408 1.00 0.00 C ATOM 325 O ASN A 21 4.666 0.151 8.670 1.00 0.00 O ATOM 326 CB ASN A 21 3.852 -2.815 10.149 1.00 0.00 C ATOM 327 CG ASN A 21 3.794 -4.099 9.339 1.00 0.00 C ATOM 328 OD1 ASN A 21 4.641 -4.371 8.495 1.00 0.00 O ATOM 329 ND2 ASN A 21 2.806 -4.933 9.555 1.00 0.00 N ATOM 0 H ASN A 21 1.557 -1.726 8.215 1.00 0.00 H new ATOM 0 HA ASN A 21 3.219 -0.797 10.315 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.899 -2.598 10.362 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.363 -2.998 11.106 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.746 -5.801 9.023 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.098 -4.714 10.255 1.00 0.00 H new ATOM 336 N ALA A 22 4.282 -1.510 7.224 1.00 0.00 N ATOM 337 CA ALA A 22 5.441 -1.183 6.337 1.00 0.00 C ATOM 338 C ALA A 22 5.534 0.265 5.774 1.00 0.00 C ATOM 339 O ALA A 22 6.609 0.870 5.801 1.00 0.00 O ATOM 340 CB ALA A 22 5.463 -2.243 5.226 1.00 0.00 C ATOM 0 H ALA A 22 3.657 -2.224 6.849 1.00 0.00 H new ATOM 0 HA ALA A 22 6.333 -1.210 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.296 -2.045 4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.582 -3.232 5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.527 -2.205 4.669 1.00 0.00 H new ATOM 346 N VAL A 23 4.408 0.821 5.329 1.00 0.00 N ATOM 347 CA VAL A 23 4.304 2.255 4.926 1.00 0.00 C ATOM 348 C VAL A 23 4.285 3.262 6.132 1.00 0.00 C ATOM 349 O VAL A 23 4.724 4.397 5.940 1.00 0.00 O ATOM 350 CB VAL A 23 3.097 2.422 3.965 1.00 0.00 C ATOM 351 CG1 VAL A 23 2.822 3.867 3.503 1.00 0.00 C ATOM 352 CG2 VAL A 23 3.202 1.550 2.692 1.00 0.00 C ATOM 0 H VAL A 23 3.533 0.305 5.231 1.00 0.00 H new ATOM 0 HA VAL A 23 5.218 2.524 4.396 1.00 0.00 H new ATOM 0 HB VAL A 23 2.268 2.092 4.591 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.960 3.878 2.836 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.617 4.494 4.371 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.694 4.253 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.326 1.715 2.065 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.101 1.821 2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.253 0.498 2.974 1.00 0.00 H new ATOM 362 N GLU A 24 3.855 2.892 7.352 1.00 0.00 N ATOM 363 CA GLU A 24 4.241 3.671 8.571 1.00 0.00 C ATOM 364 C GLU A 24 5.736 3.485 9.058 1.00 0.00 C ATOM 365 O GLU A 24 6.286 4.371 9.722 1.00 0.00 O ATOM 366 CB GLU A 24 3.231 3.328 9.687 1.00 0.00 C ATOM 367 CG GLU A 24 3.088 4.388 10.792 1.00 0.00 C ATOM 368 CD GLU A 24 2.324 5.647 10.411 1.00 0.00 C ATOM 369 OE1 GLU A 24 2.884 6.523 9.720 1.00 0.00 O ATOM 370 OE2 GLU A 24 1.144 5.792 10.795 1.00 0.00 O ATOM 0 H GLU A 24 3.257 2.085 7.532 1.00 0.00 H new ATOM 0 HA GLU A 24 4.201 4.727 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.253 3.166 9.233 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.529 2.386 10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.590 3.929 11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.086 4.678 11.122 1.00 0.00 H new ATOM 377 N GLN A 25 6.380 2.352 8.741 1.00 0.00 N ATOM 378 CA GLN A 25 7.805 2.086 9.049 1.00 0.00 C ATOM 379 C GLN A 25 8.847 2.729 8.089 1.00 0.00 C ATOM 380 O GLN A 25 9.908 3.119 8.581 1.00 0.00 O ATOM 381 CB GLN A 25 8.009 0.562 9.227 1.00 0.00 C ATOM 382 CG GLN A 25 9.118 0.178 10.235 1.00 0.00 C ATOM 383 CD GLN A 25 8.722 0.356 11.702 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.489 1.459 12.193 1.00 0.00 O ATOM 385 NE2 GLN A 25 8.622 -0.710 12.457 1.00 0.00 N ATOM 0 H GLN A 25 5.924 1.579 8.256 1.00 0.00 H new ATOM 0 HA GLN A 25 8.016 2.603 9.985 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.069 0.118 9.554 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.249 0.124 8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.399 -0.862 10.070 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.002 0.783 10.033 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.812 -1.632 12.065 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.354 -0.618 13.437 1.00 0.00 H new ATOM 394 N LEU A 26 8.555 2.922 6.783 1.00 0.00 N ATOM 395 CA LEU A 26 9.335 3.867 5.922 1.00 0.00 C ATOM 396 C LEU A 26 9.573 5.313 6.466 1.00 0.00 C ATOM 397 O LEU A 26 10.657 5.858 6.262 1.00 0.00 O ATOM 398 CB LEU A 26 8.852 3.824 4.446 1.00 0.00 C ATOM 399 CG LEU A 26 7.448 4.331 4.078 1.00 0.00 C ATOM 400 CD1 LEU A 26 7.292 5.848 3.922 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.995 3.715 2.736 1.00 0.00 C ATOM 0 H LEU A 26 7.795 2.446 6.297 1.00 0.00 H new ATOM 0 HA LEU A 26 10.349 3.469 5.962 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.568 4.395 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.919 2.788 4.114 1.00 0.00 H new ATOM 0 HG LEU A 26 6.843 4.026 4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.260 6.083 3.662 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.551 6.339 4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.954 6.203 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.999 4.081 2.485 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.695 4.000 1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.971 2.629 2.824 1.00 0.00 H new ATOM 413 N GLN A 27 8.557 5.886 7.132 1.00 0.00 N ATOM 414 CA GLN A 27 8.553 7.242 7.738 1.00 0.00 C ATOM 415 C GLN A 27 9.368 8.382 7.062 1.00 0.00 C ATOM 416 O GLN A 27 10.269 8.988 7.647 1.00 0.00 O ATOM 417 CB GLN A 27 8.711 7.106 9.269 1.00 0.00 C ATOM 418 CG GLN A 27 7.956 8.173 10.093 1.00 0.00 C ATOM 419 CD GLN A 27 6.437 8.293 9.939 1.00 0.00 C ATOM 420 OE1 GLN A 27 5.884 9.384 10.000 1.00 0.00 O ATOM 421 NE2 GLN A 27 5.705 7.221 9.750 1.00 0.00 N ATOM 0 H GLN A 27 7.672 5.400 7.273 1.00 0.00 H new ATOM 0 HA GLN A 27 7.573 7.660 7.507 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.361 6.119 9.570 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.771 7.158 9.517 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.166 7.985 11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.389 9.143 9.850 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.148 6.304 9.696 1.00 0.00 H new ATOM 0 HE22 GLN A 27 4.693 7.305 9.657 1.00 0.00 H new ATOM 430 N VAL A 28 9.005 8.655 5.804 1.00 0.00 N ATOM 431 CA VAL A 28 9.719 9.628 4.938 1.00 0.00 C ATOM 432 C VAL A 28 9.081 11.041 5.130 1.00 0.00 C ATOM 433 O VAL A 28 7.886 11.224 4.895 1.00 0.00 O ATOM 434 CB VAL A 28 9.661 9.141 3.443 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.256 10.162 2.444 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.432 7.816 3.217 1.00 0.00 C ATOM 0 H VAL A 28 8.208 8.212 5.347 1.00 0.00 H new ATOM 0 HA VAL A 28 10.771 9.696 5.216 1.00 0.00 H new ATOM 0 HB VAL A 28 8.595 9.008 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.185 9.764 1.432 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.701 11.098 2.506 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.302 10.344 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.359 7.527 2.169 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.480 7.955 3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.000 7.033 3.840 1.00 0.00 H new ATOM 446 N GLY A 29 9.914 12.028 5.485 1.00 0.00 N ATOM 447 CA GLY A 29 9.543 13.465 5.409 1.00 0.00 C ATOM 448 C GLY A 29 10.487 14.303 4.522 1.00 0.00 C ATOM 449 O GLY A 29 10.984 15.337 4.969 1.00 0.00 O ATOM 0 H GLY A 29 10.859 11.865 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.527 13.549 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.538 13.884 6.415 1.00 0.00 H new ATOM 453 N GLN A 30 10.712 13.850 3.274 1.00 0.00 N ATOM 454 CA GLN A 30 11.797 14.375 2.398 1.00 0.00 C ATOM 455 C GLN A 30 11.361 14.630 0.921 1.00 0.00 C ATOM 456 O GLN A 30 11.662 15.709 0.404 1.00 0.00 O ATOM 457 CB GLN A 30 13.017 13.423 2.513 1.00 0.00 C ATOM 458 CG GLN A 30 14.296 13.842 1.758 1.00 0.00 C ATOM 459 CD GLN A 30 14.940 15.148 2.198 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.752 15.193 3.114 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.614 16.252 1.568 1.00 0.00 N ATOM 0 H GLN A 30 10.155 13.114 2.839 1.00 0.00 H new ATOM 0 HA GLN A 30 12.071 15.369 2.750 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.265 13.314 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.716 12.439 2.153 1.00 0.00 H new ATOM 0 HG2 GLN A 30 15.032 13.045 1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.058 13.918 0.697 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.939 16.223 0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.036 17.139 1.842 1.00 0.00 H new ATOM 470 N SER A 31 10.725 13.663 0.239 1.00 0.00 N ATOM 471 CA SER A 31 10.322 13.805 -1.186 1.00 0.00 C ATOM 472 C SER A 31 9.112 12.889 -1.525 1.00 0.00 C ATOM 473 O SER A 31 8.985 11.766 -1.018 1.00 0.00 O ATOM 474 CB SER A 31 11.531 13.494 -2.109 1.00 0.00 C ATOM 475 OG SER A 31 11.200 13.604 -3.495 1.00 0.00 O ATOM 0 H SER A 31 10.473 12.764 0.649 1.00 0.00 H new ATOM 0 HA SER A 31 10.006 14.834 -1.355 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.347 14.179 -1.878 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.892 12.486 -1.903 1.00 0.00 H new ATOM 0 HG SER A 31 10.915 14.521 -3.692 1.00 0.00 H new ATOM 481 N LYS A 32 8.263 13.358 -2.454 1.00 0.00 N ATOM 482 CA LYS A 32 7.177 12.526 -3.033 1.00 0.00 C ATOM 483 C LYS A 32 7.613 11.293 -3.863 1.00 0.00 C ATOM 484 O LYS A 32 7.003 10.233 -3.718 1.00 0.00 O ATOM 485 CB LYS A 32 6.123 13.404 -3.733 1.00 0.00 C ATOM 486 CG LYS A 32 6.452 14.046 -5.083 1.00 0.00 C ATOM 487 CD LYS A 32 5.350 15.033 -5.526 1.00 0.00 C ATOM 488 CE LYS A 32 5.423 16.387 -4.811 1.00 0.00 C ATOM 489 NZ LYS A 32 4.193 17.176 -5.085 1.00 0.00 N ATOM 0 H LYS A 32 8.302 14.307 -2.825 1.00 0.00 H new ATOM 0 HA LYS A 32 6.707 12.048 -2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.230 12.795 -3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.858 14.207 -3.045 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.405 14.570 -5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.570 13.268 -5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 32 5.427 15.194 -6.601 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.374 14.584 -5.340 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.535 16.235 -3.738 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.301 16.938 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.334 18.158 -4.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 3.992 17.163 -6.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.392 16.760 -4.569 1.00 0.00 H new ATOM 503 N GLN A 33 8.669 11.410 -4.687 1.00 0.00 N ATOM 504 CA GLN A 33 9.215 10.262 -5.453 1.00 0.00 C ATOM 505 C GLN A 33 9.838 9.089 -4.649 1.00 0.00 C ATOM 506 O GLN A 33 9.833 7.978 -5.178 1.00 0.00 O ATOM 507 CB GLN A 33 10.085 10.774 -6.625 1.00 0.00 C ATOM 508 CG GLN A 33 11.450 11.414 -6.317 1.00 0.00 C ATOM 509 CD GLN A 33 12.618 10.459 -6.130 1.00 0.00 C ATOM 510 OE1 GLN A 33 13.014 10.117 -5.023 1.00 0.00 O ATOM 511 NE2 GLN A 33 13.237 10.008 -7.195 1.00 0.00 N ATOM 0 H GLN A 33 9.166 12.287 -4.844 1.00 0.00 H new ATOM 0 HA GLN A 33 8.342 9.751 -5.858 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.260 9.933 -7.297 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.495 11.506 -7.177 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.696 12.100 -7.127 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.350 12.013 -5.412 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.919 10.283 -8.124 1.00 0.00 H new ATOM 0 HE22 GLN A 33 14.036 9.382 -7.094 1.00 0.00 H new ATOM 520 N GLN A 34 10.291 9.273 -3.392 1.00 0.00 N ATOM 521 CA GLN A 34 10.632 8.125 -2.507 1.00 0.00 C ATOM 522 C GLN A 34 9.373 7.346 -2.010 1.00 0.00 C ATOM 523 O GLN A 34 9.254 6.160 -2.326 1.00 0.00 O ATOM 524 CB GLN A 34 11.520 8.580 -1.328 1.00 0.00 C ATOM 525 CG GLN A 34 12.983 8.906 -1.686 1.00 0.00 C ATOM 526 CD GLN A 34 13.910 7.708 -1.889 1.00 0.00 C ATOM 527 OE1 GLN A 34 13.522 6.592 -2.234 1.00 0.00 O ATOM 528 NE2 GLN A 34 15.190 7.905 -1.684 1.00 0.00 N ATOM 0 H GLN A 34 10.430 10.189 -2.966 1.00 0.00 H new ATOM 0 HA GLN A 34 11.204 7.421 -3.112 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.069 9.464 -0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.516 7.797 -0.570 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.988 9.502 -2.599 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.398 9.531 -0.895 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.525 8.825 -1.398 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.851 7.138 -1.811 1.00 0.00 H new ATOM 537 N VAL A 35 8.428 7.993 -1.301 1.00 0.00 N ATOM 538 CA VAL A 35 7.147 7.331 -0.879 1.00 0.00 C ATOM 539 C VAL A 35 6.291 6.726 -2.040 1.00 0.00 C ATOM 540 O VAL A 35 5.839 5.583 -1.936 1.00 0.00 O ATOM 541 CB VAL A 35 6.382 8.267 0.108 1.00 0.00 C ATOM 542 CG1 VAL A 35 5.714 9.500 -0.520 1.00 0.00 C ATOM 543 CG2 VAL A 35 5.317 7.513 0.927 1.00 0.00 C ATOM 0 H VAL A 35 8.512 8.965 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 35 7.404 6.422 -0.336 1.00 0.00 H new ATOM 0 HB VAL A 35 7.184 8.629 0.751 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.213 10.077 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.472 10.119 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.983 9.179 -1.263 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.814 8.209 1.598 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.586 7.068 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.796 6.728 1.512 1.00 0.00 H new ATOM 553 N SER A 36 6.144 7.458 -3.151 1.00 0.00 N ATOM 554 CA SER A 36 5.451 6.972 -4.371 1.00 0.00 C ATOM 555 C SER A 36 6.176 5.880 -5.196 1.00 0.00 C ATOM 556 O SER A 36 5.489 5.026 -5.754 1.00 0.00 O ATOM 557 CB SER A 36 5.147 8.238 -5.210 1.00 0.00 C ATOM 558 OG SER A 36 4.033 8.086 -6.086 1.00 0.00 O ATOM 0 H SER A 36 6.501 8.410 -3.239 1.00 0.00 H new ATOM 0 HA SER A 36 4.552 6.437 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.958 9.074 -4.536 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.028 8.495 -5.797 1.00 0.00 H new ATOM 0 HG SER A 36 4.349 7.817 -6.974 1.00 0.00 H new ATOM 564 N ALA A 37 7.517 5.839 -5.244 1.00 0.00 N ATOM 565 CA ALA A 37 8.251 4.632 -5.696 1.00 0.00 C ATOM 566 C ALA A 37 8.179 3.400 -4.740 1.00 0.00 C ATOM 567 O ALA A 37 8.003 2.290 -5.240 1.00 0.00 O ATOM 568 CB ALA A 37 9.701 5.048 -5.962 1.00 0.00 C ATOM 0 H ALA A 37 8.118 6.619 -4.978 1.00 0.00 H new ATOM 0 HA ALA A 37 7.758 4.272 -6.599 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.272 4.182 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.723 5.818 -6.733 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.141 5.440 -5.045 1.00 0.00 H new ATOM 574 N LEU A 38 8.266 3.566 -3.408 1.00 0.00 N ATOM 575 CA LEU A 38 8.050 2.452 -2.439 1.00 0.00 C ATOM 576 C LEU A 38 6.618 1.805 -2.481 1.00 0.00 C ATOM 577 O LEU A 38 6.500 0.577 -2.575 1.00 0.00 O ATOM 578 CB LEU A 38 8.431 2.919 -1.006 1.00 0.00 C ATOM 579 CG LEU A 38 9.914 2.748 -0.604 1.00 0.00 C ATOM 580 CD1 LEU A 38 10.894 3.689 -1.309 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.070 2.969 0.912 1.00 0.00 C ATOM 0 H LEU A 38 8.484 4.460 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 38 8.712 1.645 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.169 3.972 -0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.817 2.370 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 38 10.168 1.734 -0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.906 3.489 -0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.844 3.526 -2.386 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.630 4.723 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.117 2.848 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.740 3.976 1.169 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.464 2.240 1.450 1.00 0.00 H new ATOM 593 N LEU A 39 5.555 2.620 -2.481 1.00 0.00 N ATOM 594 CA LEU A 39 4.177 2.164 -2.818 1.00 0.00 C ATOM 595 C LEU A 39 4.001 1.639 -4.300 1.00 0.00 C ATOM 596 O LEU A 39 3.378 0.590 -4.486 1.00 0.00 O ATOM 597 CB LEU A 39 3.210 3.339 -2.519 1.00 0.00 C ATOM 598 CG LEU A 39 3.049 3.709 -1.025 1.00 0.00 C ATOM 599 CD1 LEU A 39 2.630 5.182 -0.916 1.00 0.00 C ATOM 600 CD2 LEU A 39 1.987 2.915 -0.257 1.00 0.00 C ATOM 0 H LEU A 39 5.613 3.612 -2.250 1.00 0.00 H new ATOM 0 HA LEU A 39 3.951 1.294 -2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.560 4.220 -3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.228 3.089 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 39 4.019 3.482 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.514 5.451 0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.395 5.812 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.683 5.330 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.957 3.254 0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.012 3.071 -0.718 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.235 1.854 -0.285 1.00 0.00 H new ATOM 612 N GLY A 40 4.571 2.331 -5.297 1.00 0.00 N ATOM 613 CA GLY A 40 4.573 1.907 -6.720 1.00 0.00 C ATOM 614 C GLY A 40 3.599 2.680 -7.625 1.00 0.00 C ATOM 615 O GLY A 40 2.608 2.103 -8.078 1.00 0.00 O ATOM 0 H GLY A 40 5.053 3.216 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.582 2.019 -7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 40 4.328 0.846 -6.769 1.00 0.00 H new ATOM 619 N THR A 41 3.842 3.982 -7.839 1.00 0.00 N ATOM 620 CA THR A 41 2.918 4.904 -8.583 1.00 0.00 C ATOM 621 C THR A 41 3.639 6.272 -8.888 1.00 0.00 C ATOM 622 O THR A 41 4.454 6.717 -8.071 1.00 0.00 O ATOM 623 CB THR A 41 1.614 5.106 -7.753 1.00 0.00 C ATOM 624 OG1 THR A 41 0.879 3.891 -7.787 1.00 0.00 O ATOM 625 CG2 THR A 41 0.612 6.152 -8.203 1.00 0.00 C ATOM 0 H THR A 41 4.687 4.445 -7.505 1.00 0.00 H new ATOM 0 HA THR A 41 2.647 4.463 -9.542 1.00 0.00 H new ATOM 0 HB THR A 41 2.000 5.440 -6.790 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.409 3.201 -8.237 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.235 6.163 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.087 7.133 -8.208 1.00 0.00 H new ATOM 0 HG23 THR A 41 0.263 5.913 -9.207 1.00 0.00 H new ATOM 633 N PRO A 42 3.346 7.014 -9.991 1.00 0.00 N ATOM 634 CA PRO A 42 3.752 8.449 -10.143 1.00 0.00 C ATOM 635 C PRO A 42 2.856 9.456 -9.353 1.00 0.00 C ATOM 636 O PRO A 42 1.623 9.420 -9.436 1.00 0.00 O ATOM 637 CB PRO A 42 3.622 8.642 -11.681 1.00 0.00 C ATOM 638 CG PRO A 42 2.448 7.717 -12.080 1.00 0.00 C ATOM 639 CD PRO A 42 2.633 6.490 -11.174 1.00 0.00 C ATOM 0 HA PRO A 42 4.743 8.650 -9.735 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.415 9.681 -11.936 1.00 0.00 H new ATOM 0 HB3 PRO A 42 4.541 8.364 -12.197 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.484 8.197 -11.913 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.491 7.447 -13.135 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.674 6.051 -10.898 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.209 5.711 -11.673 1.00 0.00 H new ATOM 647 N SER A 43 3.499 10.380 -8.629 1.00 0.00 N ATOM 648 CA SER A 43 2.804 11.473 -7.897 1.00 0.00 C ATOM 649 C SER A 43 2.492 12.716 -8.802 1.00 0.00 C ATOM 650 O SER A 43 2.263 12.572 -10.006 1.00 0.00 O ATOM 651 CB SER A 43 3.684 11.759 -6.652 1.00 0.00 C ATOM 652 OG SER A 43 3.577 10.724 -5.688 1.00 0.00 O ATOM 0 H SER A 43 4.514 10.401 -8.527 1.00 0.00 H new ATOM 0 HA SER A 43 1.803 11.183 -7.578 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.725 11.866 -6.958 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.385 12.707 -6.204 1.00 0.00 H new ATOM 0 HG SER A 43 2.646 10.648 -5.391 1.00 0.00 H new ATOM 658 N ILE A 44 2.433 13.927 -8.222 1.00 0.00 N ATOM 659 CA ILE A 44 2.082 15.179 -8.953 1.00 0.00 C ATOM 660 C ILE A 44 3.292 16.181 -8.797 1.00 0.00 C ATOM 661 O ILE A 44 3.316 16.946 -7.821 1.00 0.00 O ATOM 662 CB ILE A 44 0.696 15.758 -8.471 1.00 0.00 C ATOM 663 CG1 ILE A 44 -0.466 14.741 -8.710 1.00 0.00 C ATOM 664 CG2 ILE A 44 0.359 17.077 -9.213 1.00 0.00 C ATOM 665 CD1 ILE A 44 -1.801 15.129 -8.077 1.00 0.00 C ATOM 0 H ILE A 44 2.626 14.076 -7.232 1.00 0.00 H new ATOM 0 HA ILE A 44 1.936 14.986 -10.016 1.00 0.00 H new ATOM 0 HB ILE A 44 0.790 15.949 -7.402 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.611 14.623 -9.784 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.164 13.769 -8.320 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.601 17.456 -8.863 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.135 17.815 -9.013 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.306 16.888 -10.285 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.544 14.363 -8.297 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.680 15.217 -6.997 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.133 16.084 -8.484 1.00 0.00 H new ATOM 677 N PRO A 45 4.293 16.217 -9.722 1.00 0.00 N ATOM 678 CA PRO A 45 5.415 17.210 -9.669 1.00 0.00 C ATOM 679 C PRO A 45 5.181 18.461 -10.567 1.00 0.00 C ATOM 680 O PRO A 45 5.755 18.595 -11.652 1.00 0.00 O ATOM 681 CB PRO A 45 6.599 16.310 -10.122 1.00 0.00 C ATOM 682 CG PRO A 45 5.983 15.385 -11.200 1.00 0.00 C ATOM 683 CD PRO A 45 4.556 15.122 -10.689 1.00 0.00 C ATOM 0 HA PRO A 45 5.562 17.681 -8.697 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.418 16.904 -10.528 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.004 15.736 -9.289 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.975 15.863 -12.180 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.548 14.459 -11.302 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.835 15.134 -11.506 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.480 14.145 -10.211 1.00 0.00 H new ATOM 691 N ASP A 46 4.350 19.394 -10.085 1.00 0.00 N ATOM 692 CA ASP A 46 4.085 20.677 -10.780 1.00 0.00 C ATOM 693 C ASP A 46 5.205 21.730 -10.481 1.00 0.00 C ATOM 694 O ASP A 46 5.393 22.080 -9.312 1.00 0.00 O ATOM 695 CB ASP A 46 2.669 21.154 -10.394 1.00 0.00 C ATOM 696 CG ASP A 46 2.226 22.399 -11.152 1.00 0.00 C ATOM 697 OD1 ASP A 46 1.747 22.274 -12.297 1.00 0.00 O ATOM 698 OD2 ASP A 46 2.403 23.513 -10.615 1.00 0.00 O ATOM 0 H ASP A 46 3.841 19.289 -9.207 1.00 0.00 H new ATOM 0 HA ASP A 46 4.113 20.539 -11.861 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.958 20.350 -10.583 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.641 21.359 -9.324 1.00 0.00 H new ATOM 703 N PRO A 47 5.939 22.293 -11.476 1.00 0.00 N ATOM 704 CA PRO A 47 6.931 23.386 -11.218 1.00 0.00 C ATOM 705 C PRO A 47 6.396 24.786 -10.801 1.00 0.00 C ATOM 706 O PRO A 47 7.204 25.607 -10.361 1.00 0.00 O ATOM 707 CB PRO A 47 7.714 23.412 -12.558 1.00 0.00 C ATOM 708 CG PRO A 47 6.664 23.006 -13.619 1.00 0.00 C ATOM 709 CD PRO A 47 5.814 21.943 -12.905 1.00 0.00 C ATOM 0 HA PRO A 47 7.515 23.168 -10.324 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.123 24.402 -12.761 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.554 22.717 -12.542 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.060 23.858 -13.931 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.136 22.605 -14.516 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.776 21.974 -13.235 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.182 20.937 -13.104 1.00 0.00 H new ATOM 717 N PHE A 48 5.082 25.056 -10.894 1.00 0.00 N ATOM 718 CA PHE A 48 4.461 26.240 -10.239 1.00 0.00 C ATOM 719 C PHE A 48 4.177 25.955 -8.729 1.00 0.00 C ATOM 720 O PHE A 48 4.740 26.652 -7.882 1.00 0.00 O ATOM 721 CB PHE A 48 3.232 26.646 -11.087 1.00 0.00 C ATOM 722 CG PHE A 48 2.765 28.113 -10.965 1.00 0.00 C ATOM 723 CD1 PHE A 48 2.514 28.721 -9.721 1.00 0.00 C ATOM 724 CD2 PHE A 48 2.551 28.871 -12.128 1.00 0.00 C ATOM 725 CE1 PHE A 48 2.073 30.043 -9.643 1.00 0.00 C ATOM 726 CE2 PHE A 48 2.107 30.194 -12.051 1.00 0.00 C ATOM 727 CZ PHE A 48 1.869 30.776 -10.809 1.00 0.00 C ATOM 0 H PHE A 48 4.423 24.476 -11.414 1.00 0.00 H new ATOM 0 HA PHE A 48 5.132 27.099 -10.213 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.459 26.446 -12.134 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.399 25.999 -10.812 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.665 28.156 -8.813 1.00 0.00 H new ATOM 0 HD2 PHE A 48 2.732 28.425 -13.095 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.890 30.496 -8.680 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.949 30.764 -12.954 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.525 31.798 -10.750 1.00 0.00 H new ATOM 737 N HIS A 49 3.326 24.968 -8.389 1.00 0.00 N ATOM 738 CA HIS A 49 3.119 24.540 -6.980 1.00 0.00 C ATOM 739 C HIS A 49 2.783 23.021 -6.943 1.00 0.00 C ATOM 740 O HIS A 49 1.651 22.612 -7.230 1.00 0.00 O ATOM 741 CB HIS A 49 2.046 25.443 -6.328 1.00 0.00 C ATOM 742 CG HIS A 49 1.779 25.140 -4.850 1.00 0.00 C ATOM 743 ND1 HIS A 49 2.706 25.284 -3.837 1.00 0.00 N ATOM 744 CD2 HIS A 49 0.614 24.547 -4.342 1.00 0.00 C ATOM 745 CE1 HIS A 49 2.013 24.728 -2.796 1.00 0.00 C ATOM 746 NE2 HIS A 49 0.737 24.264 -2.995 1.00 0.00 N ATOM 0 H HIS A 49 2.768 24.448 -9.066 1.00 0.00 H new ATOM 0 HA HIS A 49 4.026 24.663 -6.389 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.357 26.483 -6.423 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.114 25.337 -6.882 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.268 24.338 -4.929 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.469 24.655 -1.820 1.00 0.00 H new ATOM 0 HE2 HIS A 49 0.077 23.838 -2.344 1.00 0.00 H new ATOM 754 N ALA A 50 3.759 22.194 -6.541 1.00 0.00 N ATOM 755 CA ALA A 50 3.614 20.725 -6.532 1.00 0.00 C ATOM 756 C ALA A 50 2.800 20.191 -5.322 1.00 0.00 C ATOM 757 O ALA A 50 3.342 19.855 -4.266 1.00 0.00 O ATOM 758 CB ALA A 50 5.044 20.173 -6.600 1.00 0.00 C ATOM 0 H ALA A 50 4.669 22.519 -6.214 1.00 0.00 H new ATOM 0 HA ALA A 50 3.023 20.385 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.014 19.083 -6.597 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.525 20.520 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.610 20.523 -5.737 1.00 0.00 H new ATOM 764 N GLN A 51 1.485 20.061 -5.523 1.00 0.00 N ATOM 765 CA GLN A 51 0.524 19.743 -4.436 1.00 0.00 C ATOM 766 C GLN A 51 0.604 18.276 -3.873 1.00 0.00 C ATOM 767 O GLN A 51 1.415 17.441 -4.291 1.00 0.00 O ATOM 768 CB GLN A 51 -0.897 20.036 -5.014 1.00 0.00 C ATOM 769 CG GLN A 51 -1.251 21.526 -5.181 1.00 0.00 C ATOM 770 CD GLN A 51 -2.707 21.729 -5.592 1.00 0.00 C ATOM 771 OE1 GLN A 51 -3.639 21.298 -4.916 1.00 0.00 O ATOM 772 NE2 GLN A 51 -2.957 22.384 -6.699 1.00 0.00 N ATOM 0 H GLN A 51 1.047 20.171 -6.438 1.00 0.00 H new ATOM 0 HA GLN A 51 0.770 20.360 -3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.982 19.549 -5.986 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.638 19.576 -4.361 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.063 22.050 -4.244 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.598 21.971 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.187 22.744 -7.264 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.921 22.534 -6.996 1.00 0.00 H new ATOM 781 N ARG A 52 -0.293 17.994 -2.913 1.00 0.00 N ATOM 782 CA ARG A 52 -0.600 16.629 -2.426 1.00 0.00 C ATOM 783 C ARG A 52 -0.881 15.567 -3.536 1.00 0.00 C ATOM 784 O ARG A 52 -1.523 15.866 -4.547 1.00 0.00 O ATOM 785 CB ARG A 52 -1.759 16.758 -1.400 1.00 0.00 C ATOM 786 CG ARG A 52 -3.226 16.723 -1.832 1.00 0.00 C ATOM 787 CD ARG A 52 -3.736 17.803 -2.785 1.00 0.00 C ATOM 788 NE ARG A 52 -5.158 17.490 -3.064 1.00 0.00 N ATOM 789 CZ ARG A 52 -6.067 18.324 -3.540 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.828 19.552 -3.923 1.00 0.00 N ATOM 791 NH2 ARG A 52 -7.278 17.863 -3.635 1.00 0.00 N ATOM 0 H ARG A 52 -0.837 18.717 -2.443 1.00 0.00 H new ATOM 0 HA ARG A 52 0.296 16.225 -1.954 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.626 15.958 -0.672 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.608 17.699 -0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.410 15.756 -2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.837 16.762 -0.930 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.638 18.792 -2.337 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.154 17.812 -3.707 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.466 16.537 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.882 19.929 -3.865 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.588 20.132 -4.280 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.483 16.905 -3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.024 18.459 -3.995 1.00 0.00 H new ATOM 805 N TRP A 53 -0.429 14.329 -3.317 1.00 0.00 N ATOM 806 CA TRP A 53 -0.746 13.191 -4.240 1.00 0.00 C ATOM 807 C TRP A 53 -2.085 12.558 -3.785 1.00 0.00 C ATOM 808 O TRP A 53 -2.134 11.874 -2.760 1.00 0.00 O ATOM 809 CB TRP A 53 0.477 12.257 -4.246 1.00 0.00 C ATOM 810 CG TRP A 53 0.346 10.830 -4.844 1.00 0.00 C ATOM 811 CD1 TRP A 53 -0.490 10.411 -5.902 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.950 9.654 -4.390 1.00 0.00 C ATOM 813 NE1 TRP A 53 -0.473 9.021 -6.071 1.00 0.00 N ATOM 814 CE2 TRP A 53 0.400 8.567 -5.114 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.950 9.414 -3.400 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.779 7.235 -4.798 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.325 8.105 -3.129 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.738 7.025 -3.813 1.00 0.00 C ATOM 0 H TRP A 53 0.154 14.072 -2.521 1.00 0.00 H new ATOM 0 HA TRP A 53 -0.909 13.485 -5.277 1.00 0.00 H new ATOM 0 HB2 TRP A 53 1.274 12.766 -4.788 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.811 12.149 -3.214 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -1.075 11.085 -6.511 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -0.993 8.469 -6.753 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.407 10.237 -2.871 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 0.330 6.399 -5.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.080 7.913 -2.381 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.037 6.016 -3.569 1.00 0.00 H new ATOM 829 N ASP A 54 -3.156 12.841 -4.542 1.00 0.00 N ATOM 830 CA ASP A 54 -4.552 12.576 -4.093 1.00 0.00 C ATOM 831 C ASP A 54 -5.288 11.555 -5.020 1.00 0.00 C ATOM 832 O ASP A 54 -6.292 11.873 -5.670 1.00 0.00 O ATOM 833 CB ASP A 54 -5.233 13.965 -4.043 1.00 0.00 C ATOM 834 CG ASP A 54 -6.426 14.110 -3.118 1.00 0.00 C ATOM 835 OD1 ASP A 54 -6.882 13.117 -2.509 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.932 15.251 -3.007 1.00 0.00 O ATOM 0 H ASP A 54 -3.093 13.255 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 54 -4.581 12.097 -3.114 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.484 14.700 -3.749 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.553 14.223 -5.053 1.00 0.00 H new ATOM 841 N TYR A 55 -4.795 10.312 -5.072 1.00 0.00 N ATOM 842 CA TYR A 55 -5.309 9.290 -6.017 1.00 0.00 C ATOM 843 C TYR A 55 -6.394 8.382 -5.366 1.00 0.00 C ATOM 844 O TYR A 55 -6.097 7.569 -4.488 1.00 0.00 O ATOM 845 CB TYR A 55 -4.128 8.420 -6.533 1.00 0.00 C ATOM 846 CG TYR A 55 -3.332 8.937 -7.751 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.191 10.304 -8.064 1.00 0.00 C ATOM 848 CD2 TYR A 55 -2.618 8.007 -8.521 1.00 0.00 C ATOM 849 CE1 TYR A 55 -2.304 10.723 -9.057 1.00 0.00 C ATOM 850 CE2 TYR A 55 -1.734 8.430 -9.518 1.00 0.00 C ATOM 851 CZ TYR A 55 -1.557 9.789 -9.763 1.00 0.00 C ATOM 852 OH TYR A 55 -0.551 10.199 -10.584 1.00 0.00 O ATOM 0 H TYR A 55 -4.039 9.980 -4.473 1.00 0.00 H new ATOM 0 HA TYR A 55 -5.780 9.812 -6.850 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.428 8.283 -5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.522 7.435 -6.784 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.777 11.037 -7.529 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -2.753 6.951 -8.341 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.198 11.775 -9.277 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.188 7.702 -10.099 1.00 0.00 H new ATOM 0 HH TYR A 55 0.300 10.168 -10.099 1.00 0.00 H new ATOM 862 N THR A 56 -7.621 8.450 -5.901 1.00 0.00 N ATOM 863 CA THR A 56 -8.595 7.322 -5.808 1.00 0.00 C ATOM 864 C THR A 56 -8.432 6.469 -7.111 1.00 0.00 C ATOM 865 O THR A 56 -9.033 6.785 -8.144 1.00 0.00 O ATOM 866 CB THR A 56 -10.039 7.875 -5.651 1.00 0.00 C ATOM 867 OG1 THR A 56 -10.141 8.718 -4.508 1.00 0.00 O ATOM 868 CG2 THR A 56 -11.074 6.772 -5.444 1.00 0.00 C ATOM 0 H THR A 56 -7.974 9.265 -6.403 1.00 0.00 H new ATOM 0 HA THR A 56 -8.405 6.698 -4.935 1.00 0.00 H new ATOM 0 HB THR A 56 -10.238 8.413 -6.578 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.058 9.055 -4.431 1.00 0.00 H new ATOM 0 HG21 THR A 56 -12.064 7.217 -5.340 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.066 6.100 -6.302 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.832 6.211 -4.541 1.00 0.00 H new ATOM 1095 N LYS A 70 -5.226 1.526 -5.352 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.471 2.455 -4.480 1.00 0.00 C ATOM 1097 C LYS A 70 -5.361 3.721 -4.233 1.00 0.00 C ATOM 1098 O LYS A 70 -5.392 4.663 -5.036 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.113 2.831 -5.112 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.053 1.702 -5.111 1.00 0.00 C ATOM 1101 CD LYS A 70 -0.723 2.270 -5.624 1.00 0.00 C ATOM 1102 CE LYS A 70 0.474 1.314 -5.682 1.00 0.00 C ATOM 1103 NZ LYS A 70 0.379 0.294 -6.759 1.00 0.00 N ATOM 0 HA LYS A 70 -4.246 1.975 -3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.284 3.147 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.707 3.690 -4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.929 1.302 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.380 0.877 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.889 2.664 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.450 3.114 -4.991 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.384 1.896 -5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 70 0.568 0.807 -4.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.613 -0.643 -6.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.589 0.280 -7.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.047 0.530 -7.521 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.069 3.690 -3.102 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.813 4.855 -2.559 1.00 0.00 C ATOM 1119 C ASN A 71 -5.929 5.521 -1.452 1.00 0.00 C ATOM 1120 O ASN A 71 -5.894 5.061 -0.306 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.177 4.395 -1.979 1.00 0.00 C ATOM 1122 CG ASN A 71 -9.210 3.944 -3.004 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.151 4.229 -4.196 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -10.224 3.240 -2.567 1.00 0.00 N ATOM 0 H ASN A 71 -6.150 2.854 -2.524 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.019 5.578 -3.348 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.998 3.574 -1.285 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.600 5.216 -1.400 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.951 2.936 -3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.287 2.995 -1.579 1.00 0.00 H new ATOM 1131 N PHE A 72 -5.170 6.553 -1.840 1.00 0.00 N ATOM 1132 CA PHE A 72 -4.118 7.158 -0.974 1.00 0.00 C ATOM 1133 C PHE A 72 -4.034 8.692 -1.218 1.00 0.00 C ATOM 1134 O PHE A 72 -3.632 9.132 -2.301 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.782 6.427 -1.281 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.598 6.770 -0.361 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.515 6.236 0.934 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.522 7.537 -0.838 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.374 6.435 1.715 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.615 7.731 -0.049 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.686 7.180 1.223 1.00 0.00 C ATOM 0 H PHE A 72 -5.257 6.998 -2.754 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.353 7.034 0.083 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -2.958 5.353 -1.228 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.495 6.652 -2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.342 5.665 1.331 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.574 7.980 -1.822 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.318 6.007 2.705 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.442 8.312 -0.430 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.567 7.332 1.829 1.00 0.00 H new ATOM 1151 N THR A 73 -4.369 9.487 -0.191 1.00 0.00 N ATOM 1152 CA THR A 73 -4.134 10.957 -0.199 1.00 0.00 C ATOM 1153 C THR A 73 -2.948 11.275 0.760 1.00 0.00 C ATOM 1154 O THR A 73 -3.013 11.017 1.966 1.00 0.00 O ATOM 1155 CB THR A 73 -5.428 11.731 0.178 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.463 11.441 -0.756 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.248 13.247 0.129 1.00 0.00 C ATOM 0 H THR A 73 -4.806 9.144 0.664 1.00 0.00 H new ATOM 0 HA THR A 73 -3.868 11.289 -1.203 1.00 0.00 H new ATOM 0 HB THR A 73 -5.672 11.414 1.192 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.801 12.277 -1.140 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.184 13.734 0.402 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.468 13.544 0.830 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.963 13.547 -0.879 1.00 0.00 H new ATOM 1165 N VAL A 74 -1.879 11.858 0.210 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.657 12.216 0.988 1.00 0.00 C ATOM 1167 C VAL A 74 -0.234 13.681 0.713 1.00 0.00 C ATOM 1168 O VAL A 74 -0.096 14.110 -0.437 1.00 0.00 O ATOM 1169 CB VAL A 74 0.471 11.175 0.758 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.930 11.047 -0.696 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.737 11.442 1.597 1.00 0.00 C ATOM 0 H VAL A 74 -1.821 12.100 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.884 12.172 2.053 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.009 10.248 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.719 10.298 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.088 10.744 -1.318 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.310 12.008 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.482 10.675 1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.142 12.422 1.343 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.483 11.418 2.657 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.004 14.427 1.795 1.00 0.00 N ATOM 1182 CA PHE A 75 0.182 15.891 1.743 1.00 0.00 C ATOM 1183 C PHE A 75 1.682 16.282 1.688 1.00 0.00 C ATOM 1184 O PHE A 75 2.524 15.728 2.401 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.544 16.528 2.960 1.00 0.00 C ATOM 1186 CG PHE A 75 -2.082 16.451 2.857 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.800 17.413 2.131 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.784 15.379 3.434 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.183 17.304 1.979 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -4.166 15.271 3.283 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.864 16.233 2.556 1.00 0.00 C ATOM 0 H PHE A 75 0.060 14.039 2.736 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.257 16.278 0.823 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.221 16.025 3.872 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.244 17.572 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.277 18.246 1.685 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.248 14.632 4.000 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.725 18.049 1.415 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.695 14.442 3.729 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.934 16.149 2.439 1.00 0.00 H new ATOM 1201 N PHE A 76 1.985 17.257 0.830 1.00 0.00 N ATOM 1202 CA PHE A 76 3.348 17.817 0.667 1.00 0.00 C ATOM 1203 C PHE A 76 3.249 19.378 0.690 1.00 0.00 C ATOM 1204 O PHE A 76 2.270 19.945 0.188 1.00 0.00 O ATOM 1205 CB PHE A 76 3.998 17.390 -0.685 1.00 0.00 C ATOM 1206 CG PHE A 76 3.997 15.888 -0.992 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.796 14.974 -0.284 1.00 0.00 C ATOM 1208 CD2 PHE A 76 3.101 15.396 -1.944 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.651 13.600 -0.490 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.981 14.029 -2.169 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.738 13.130 -1.428 1.00 0.00 C ATOM 0 H PHE A 76 1.293 17.691 0.219 1.00 0.00 H new ATOM 0 HA PHE A 76 3.968 17.438 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.478 17.905 -1.493 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.030 17.741 -0.695 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.527 15.336 0.424 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.494 16.086 -2.512 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.248 12.903 0.079 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.297 13.665 -2.922 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.618 12.068 -1.580 1.00 0.00 H new ATOM 1221 N GLU A 77 4.283 20.073 1.192 1.00 0.00 N ATOM 1222 CA GLU A 77 4.397 21.558 0.973 1.00 0.00 C ATOM 1223 C GLU A 77 4.635 21.935 -0.531 1.00 0.00 C ATOM 1224 O GLU A 77 3.787 22.550 -1.177 1.00 0.00 O ATOM 1225 CB GLU A 77 5.311 22.208 2.035 1.00 0.00 C ATOM 1226 CG GLU A 77 6.759 22.602 1.726 1.00 0.00 C ATOM 1227 CD GLU A 77 7.801 21.533 1.477 1.00 0.00 C ATOM 1228 OE1 GLU A 77 7.545 20.531 0.778 1.00 0.00 O ATOM 1229 OE2 GLU A 77 8.946 21.739 1.922 1.00 0.00 O ATOM 0 H GLU A 77 5.040 19.663 1.739 1.00 0.00 H new ATOM 0 HA GLU A 77 3.431 22.029 1.155 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.805 23.111 2.375 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.345 21.523 2.882 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.739 23.245 0.846 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.113 23.211 2.558 1.00 0.00 H new ATOM 1236 N ASN A 78 5.764 21.477 -1.065 1.00 0.00 N ATOM 1237 CA ASN A 78 6.012 21.299 -2.513 1.00 0.00 C ATOM 1238 C ASN A 78 6.593 19.859 -2.751 1.00 0.00 C ATOM 1239 O ASN A 78 6.006 19.100 -3.524 1.00 0.00 O ATOM 1240 CB ASN A 78 6.908 22.456 -3.002 1.00 0.00 C ATOM 1241 CG ASN A 78 7.034 22.582 -4.511 1.00 0.00 C ATOM 1242 OD1 ASN A 78 6.208 23.192 -5.182 1.00 0.00 O ATOM 1243 ND2 ASN A 78 8.058 22.022 -5.107 1.00 0.00 N ATOM 0 H ASN A 78 6.564 21.208 -0.493 1.00 0.00 H new ATOM 0 HA ASN A 78 5.100 21.353 -3.107 1.00 0.00 H new ATOM 0 HB2 ASN A 78 6.513 23.392 -2.607 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.904 22.326 -2.580 1.00 0.00 H new ATOM 0 HD21 ASN A 78 8.162 22.096 -6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.751 21.512 -4.559 1.00 0.00 H new ATOM 1250 N GLU A 79 7.707 19.491 -2.085 1.00 0.00 N ATOM 1251 CA GLU A 79 8.239 18.105 -2.094 1.00 0.00 C ATOM 1252 C GLU A 79 8.102 17.330 -0.745 1.00 0.00 C ATOM 1253 O GLU A 79 7.760 16.145 -0.800 1.00 0.00 O ATOM 1254 CB GLU A 79 9.725 18.094 -2.565 1.00 0.00 C ATOM 1255 CG GLU A 79 9.918 17.844 -4.072 1.00 0.00 C ATOM 1256 CD GLU A 79 9.478 16.477 -4.576 1.00 0.00 C ATOM 1257 OE1 GLU A 79 9.796 15.443 -3.944 1.00 0.00 O ATOM 1258 OE2 GLU A 79 8.790 16.435 -5.616 1.00 0.00 O ATOM 0 H GLU A 79 8.263 20.139 -1.528 1.00 0.00 H new ATOM 0 HA GLU A 79 7.607 17.569 -2.802 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.181 19.050 -2.307 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.262 17.325 -2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.368 18.608 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.973 17.977 -4.311 1.00 0.00 H new ATOM 1265 N GLN A 80 8.448 17.908 0.426 1.00 0.00 N ATOM 1266 CA GLN A 80 8.664 17.094 1.655 1.00 0.00 C ATOM 1267 C GLN A 80 7.370 16.825 2.457 1.00 0.00 C ATOM 1268 O GLN A 80 6.438 17.637 2.491 1.00 0.00 O ATOM 1269 CB GLN A 80 9.883 17.606 2.450 1.00 0.00 C ATOM 1270 CG GLN A 80 9.683 18.669 3.529 1.00 0.00 C ATOM 1271 CD GLN A 80 10.977 19.042 4.245 1.00 0.00 C ATOM 1272 OE1 GLN A 80 11.656 20.003 3.899 1.00 0.00 O ATOM 1273 NE2 GLN A 80 11.376 18.309 5.257 1.00 0.00 N ATOM 0 H GLN A 80 8.583 18.911 0.552 1.00 0.00 H new ATOM 0 HA GLN A 80 8.939 16.083 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 80 10.350 16.743 2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.600 18.001 1.730 1.00 0.00 H new ATOM 0 HG2 GLN A 80 9.254 19.563 3.076 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.961 18.305 4.260 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.821 17.507 5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.241 18.541 5.745 1.00 0.00 H new ATOM 1282 N VAL A 81 7.293 15.631 3.063 1.00 0.00 N ATOM 1283 CA VAL A 81 5.980 15.003 3.378 1.00 0.00 C ATOM 1284 C VAL A 81 5.400 15.510 4.735 1.00 0.00 C ATOM 1285 O VAL A 81 6.098 15.588 5.749 1.00 0.00 O ATOM 1286 CB VAL A 81 6.033 13.434 3.348 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.616 12.849 3.155 1.00 0.00 C ATOM 1288 CG2 VAL A 81 6.964 12.808 2.287 1.00 0.00 C ATOM 0 H VAL A 81 8.104 15.080 3.345 1.00 0.00 H new ATOM 0 HA VAL A 81 5.304 15.317 2.583 1.00 0.00 H new ATOM 0 HB VAL A 81 6.458 13.171 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.671 11.761 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.976 13.166 3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.200 13.207 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.920 11.721 2.360 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.643 13.119 1.293 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.987 13.142 2.459 1.00 0.00 H new ATOM 1298 N VAL A 82 4.104 15.827 4.711 1.00 0.00 N ATOM 1299 CA VAL A 82 3.355 16.372 5.876 1.00 0.00 C ATOM 1300 C VAL A 82 2.685 15.175 6.622 1.00 0.00 C ATOM 1301 O VAL A 82 3.170 14.798 7.691 1.00 0.00 O ATOM 1302 CB VAL A 82 2.420 17.519 5.375 1.00 0.00 C ATOM 1303 CG1 VAL A 82 1.476 18.074 6.458 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.224 18.721 4.804 1.00 0.00 C ATOM 0 H VAL A 82 3.526 15.716 3.878 1.00 0.00 H new ATOM 0 HA VAL A 82 3.984 16.850 6.627 1.00 0.00 H new ATOM 0 HB VAL A 82 1.823 17.045 4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.860 18.866 6.032 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.834 17.274 6.826 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.065 18.476 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.533 19.494 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 82 3.873 19.127 5.580 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.831 18.386 3.963 1.00 0.00 H new ATOM 1314 N ARG A 83 1.632 14.544 6.054 1.00 0.00 N ATOM 1315 CA ARG A 83 1.148 13.208 6.507 1.00 0.00 C ATOM 1316 C ARG A 83 0.351 12.473 5.379 1.00 0.00 C ATOM 1317 O ARG A 83 -0.199 13.088 4.459 1.00 0.00 O ATOM 1318 CB ARG A 83 0.410 13.247 7.869 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.923 13.991 7.989 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.206 13.268 7.546 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.462 11.902 8.087 1.00 0.00 N ATOM 1322 CZ ARG A 83 -2.771 11.598 9.346 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -2.691 12.445 10.338 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.165 10.393 9.632 1.00 0.00 N ATOM 0 H ARG A 83 1.096 14.935 5.279 1.00 0.00 H new ATOM 0 HA ARG A 83 2.034 12.604 6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.236 12.215 8.174 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.093 13.684 8.597 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -1.049 14.281 9.032 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.843 14.911 7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.054 13.898 7.815 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.192 13.199 6.458 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.394 11.126 7.429 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.377 13.401 10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.942 12.150 11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.235 9.691 8.895 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.404 10.149 10.593 1.00 0.00 H new ATOM 1338 N TRP A 84 0.288 11.141 5.487 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.529 10.276 4.602 1.00 0.00 C ATOM 1340 C TRP A 84 -1.837 9.779 5.275 1.00 0.00 C ATOM 1341 O TRP A 84 -1.894 9.580 6.494 1.00 0.00 O ATOM 1342 CB TRP A 84 0.279 9.094 4.023 1.00 0.00 C ATOM 1343 CG TRP A 84 1.225 8.261 4.921 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.992 6.988 5.505 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.553 8.555 5.225 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.110 6.530 6.231 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.071 7.502 6.022 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.403 9.635 4.822 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.441 7.530 6.425 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.725 9.639 5.236 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.239 8.599 6.027 1.00 0.00 C ATOM 0 H TRP A 84 0.805 10.620 6.195 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.824 10.914 3.769 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.439 8.400 3.585 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.881 9.489 3.205 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.069 6.437 5.405 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.191 5.677 6.784 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.019 10.434 4.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.851 6.734 7.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.370 10.455 4.946 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.274 8.629 6.333 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.873 9.548 4.455 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.089 8.819 4.886 1.00 0.00 C ATOM 1364 C GLU A 85 -4.712 8.037 3.687 1.00 0.00 C ATOM 1365 O GLU A 85 -4.919 8.578 2.594 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.082 9.803 5.549 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.121 9.145 6.476 1.00 0.00 C ATOM 1368 CD GLU A 85 -5.581 8.338 7.647 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -4.458 8.595 8.132 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -6.294 7.417 8.102 1.00 0.00 O ATOM 0 H GLU A 85 -2.898 9.855 3.483 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.827 8.073 5.636 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.516 10.536 6.123 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -5.608 10.349 4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.767 9.928 6.872 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.748 8.489 5.872 1.00 0.00 H new ATOM 1377 N GLY A 86 -5.001 6.748 3.903 1.00 0.00 N ATOM 1378 CA GLY A 86 -5.575 5.883 2.855 1.00 0.00 C ATOM 1379 C GLY A 86 -5.863 4.428 3.266 1.00 0.00 C ATOM 1380 O GLY A 86 -5.777 4.045 4.438 1.00 0.00 O ATOM 0 H GLY A 86 -4.848 6.277 4.794 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.505 6.333 2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.891 5.872 2.006 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.210 3.641 2.244 1.00 0.00 N ATOM 1385 CA ASP A 87 -6.662 2.233 2.402 1.00 0.00 C ATOM 1386 C ASP A 87 -5.688 1.249 1.673 1.00 0.00 C ATOM 1387 O ASP A 87 -4.935 0.555 2.356 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.132 2.083 1.935 1.00 0.00 C ATOM 1389 CG ASP A 87 -9.145 2.691 2.896 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -9.552 2.010 3.861 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -9.526 3.862 2.716 1.00 0.00 O ATOM 0 H ASP A 87 -6.189 3.953 1.273 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.635 1.966 3.458 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.243 2.554 0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.357 1.024 1.806 1.00 0.00 H new ATOM 1396 N TYR A 88 -5.687 1.208 0.318 1.00 0.00 N ATOM 1397 CA TYR A 88 -4.921 0.205 -0.504 1.00 0.00 C ATOM 1398 C TYR A 88 -5.607 -1.189 -0.447 1.00 0.00 C ATOM 1399 O TYR A 88 -5.470 -1.917 0.538 1.00 0.00 O ATOM 1400 CB TYR A 88 -3.414 0.217 -0.179 1.00 0.00 C ATOM 1401 CG TYR A 88 -2.396 -0.321 -1.189 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -2.520 -1.571 -1.816 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -1.230 0.423 -1.421 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -1.527 -2.031 -2.683 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -0.227 -0.046 -2.270 1.00 0.00 C ATOM 1406 CZ TYR A 88 -0.393 -1.260 -2.928 1.00 0.00 C ATOM 1407 OH TYR A 88 0.454 -1.634 -3.928 1.00 0.00 O ATOM 0 H TYR A 88 -6.217 1.869 -0.250 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.958 0.500 -1.553 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.139 1.250 0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.280 -0.347 0.744 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.390 -2.182 -1.626 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.106 1.378 -0.933 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.639 -2.990 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.674 0.531 -2.416 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.052 -2.094 -4.630 1.00 0.00 H new ATOM 1667 N GLY A 105 -7.203 9.896 -10.229 1.00 0.00 N ATOM 1668 CA GLY A 105 -6.425 8.739 -9.759 1.00 0.00 C ATOM 1669 C GLY A 105 -6.180 7.729 -10.880 1.00 0.00 C ATOM 1670 O GLY A 105 -7.038 6.889 -11.161 1.00 0.00 O ATOM 0 HA2 GLY A 105 -5.469 9.080 -9.362 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.955 8.252 -8.940 1.00 0.00 H new ATOM 1674 N ARG A 106 -5.017 7.838 -11.526 1.00 0.00 N ATOM 1675 CA ARG A 106 -4.722 7.115 -12.793 1.00 0.00 C ATOM 1676 C ARG A 106 -3.187 6.965 -12.972 1.00 0.00 C ATOM 1677 O ARG A 106 -2.444 7.952 -12.930 1.00 0.00 O ATOM 1678 CB ARG A 106 -5.432 7.787 -14.002 1.00 0.00 C ATOM 1679 CG ARG A 106 -5.091 9.264 -14.278 1.00 0.00 C ATOM 1680 CD ARG A 106 -6.082 9.988 -15.205 1.00 0.00 C ATOM 1681 NE ARG A 106 -7.370 10.248 -14.505 1.00 0.00 N ATOM 1682 CZ ARG A 106 -8.269 11.163 -14.852 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -8.138 11.966 -15.877 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -9.341 11.265 -14.128 1.00 0.00 N ATOM 0 H ARG A 106 -4.248 8.423 -11.199 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.132 6.106 -12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.196 7.211 -14.897 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.508 7.710 -13.849 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.047 9.797 -13.328 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -4.096 9.317 -14.719 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -5.650 10.930 -15.542 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -6.262 9.384 -16.094 1.00 0.00 H new ATOM 0 HE ARG A 106 -7.581 9.674 -13.688 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.306 11.911 -16.465 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -8.868 12.647 -16.088 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -9.472 10.654 -13.322 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -10.053 11.956 -14.365 1.00 0.00 H new ATOM 1698 N ASN A 107 -2.704 5.727 -13.157 1.00 0.00 N ATOM 1699 CA ASN A 107 -1.245 5.429 -13.122 1.00 0.00 C ATOM 1700 C ASN A 107 -0.560 5.643 -14.502 1.00 0.00 C ATOM 1701 O ASN A 107 -0.351 4.698 -15.270 1.00 0.00 O ATOM 1702 CB ASN A 107 -1.099 3.985 -12.578 1.00 0.00 C ATOM 1703 CG ASN A 107 0.275 3.666 -12.011 1.00 0.00 C ATOM 1704 OD1 ASN A 107 0.526 3.867 -10.830 1.00 0.00 O ATOM 1705 ND2 ASN A 107 1.206 3.193 -12.801 1.00 0.00 N ATOM 0 H ASN A 107 -3.292 4.912 -13.332 1.00 0.00 H new ATOM 0 HA ASN A 107 -0.723 6.126 -12.466 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -1.846 3.825 -11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -1.320 3.282 -13.382 1.00 0.00 H new ATOM 0 HD21 ASN A 107 2.136 2.994 -12.431 1.00 0.00 H new ATOM 0 HD22 ASN A 107 1.002 3.024 -13.786 1.00 0.00 H new ATOM 1712 N LEU A 108 -0.172 6.895 -14.788 1.00 0.00 N ATOM 1713 CA LEU A 108 0.469 7.257 -16.087 1.00 0.00 C ATOM 1714 C LEU A 108 2.008 7.001 -16.071 1.00 0.00 C ATOM 1715 O LEU A 108 2.820 7.923 -15.950 1.00 0.00 O ATOM 1716 CB LEU A 108 0.054 8.722 -16.379 1.00 0.00 C ATOM 1717 CG LEU A 108 0.425 9.278 -17.774 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -0.338 8.594 -18.914 1.00 0.00 C ATOM 1719 CD2 LEU A 108 0.126 10.789 -17.811 1.00 0.00 C ATOM 0 H LEU A 108 -0.285 7.681 -14.147 1.00 0.00 H new ATOM 0 HA LEU A 108 0.127 6.621 -16.904 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.026 8.802 -16.256 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.509 9.363 -15.624 1.00 0.00 H new ATOM 0 HG LEU A 108 1.486 9.079 -17.927 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.034 9.028 -19.867 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.114 7.527 -18.913 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.409 8.740 -18.774 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.385 11.187 -18.792 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.934 10.955 -17.621 1.00 0.00 H new ATOM 0 HD23 LEU A 108 0.715 11.295 -17.046 1.00 0.00 H new ATOM 1731 N ALA A 109 2.392 5.718 -16.173 1.00 0.00 N ATOM 1732 CA ALA A 109 3.790 5.273 -16.052 1.00 0.00 C ATOM 1733 C ALA A 109 3.941 3.794 -16.533 1.00 0.00 C ATOM 1734 O ALA A 109 3.123 2.916 -16.240 1.00 0.00 O ATOM 1735 CB ALA A 109 4.211 5.341 -14.568 1.00 0.00 C ATOM 0 H ALA A 109 1.736 4.955 -16.343 1.00 0.00 H new ATOM 0 HA ALA A 109 4.415 5.920 -16.667 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.246 5.013 -14.468 1.00 0.00 H new ATOM 0 HB2 ALA A 109 4.119 6.367 -14.210 1.00 0.00 H new ATOM 0 HB3 ALA A 109 3.566 4.691 -13.977 1.00 0.00 H new ATOM 1741 N ARG A 110 5.105 3.526 -17.136 1.00 0.00 N ATOM 1742 CA ARG A 110 5.730 2.167 -17.081 1.00 0.00 C ATOM 1743 C ARG A 110 6.408 2.020 -15.690 1.00 0.00 C ATOM 1744 O ARG A 110 7.492 2.564 -15.455 1.00 0.00 O ATOM 1745 CB ARG A 110 6.692 2.051 -18.283 1.00 0.00 C ATOM 1746 CG ARG A 110 7.287 0.660 -18.583 1.00 0.00 C ATOM 1747 CD ARG A 110 8.606 0.304 -17.876 1.00 0.00 C ATOM 1748 NE ARG A 110 8.427 -0.265 -16.516 1.00 0.00 N ATOM 1749 CZ ARG A 110 8.235 -1.546 -16.221 1.00 0.00 C ATOM 1750 NH1 ARG A 110 8.209 -2.506 -17.111 1.00 0.00 N ATOM 1751 NH2 ARG A 110 8.057 -1.861 -14.974 1.00 0.00 N ATOM 0 H ARG A 110 5.641 4.213 -17.666 1.00 0.00 H new ATOM 0 HA ARG A 110 5.017 1.347 -17.169 1.00 0.00 H new ATOM 0 HB2 ARG A 110 6.162 2.390 -19.173 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.518 2.743 -18.121 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.545 -0.092 -18.316 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.446 0.583 -19.659 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.153 -0.412 -18.489 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.222 1.200 -17.806 1.00 0.00 H new ATOM 0 HE ARG A 110 8.454 0.390 -15.734 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.341 -2.289 -18.099 1.00 0.00 H new ATOM 0 HH12 ARG A 110 8.057 -3.471 -16.816 1.00 0.00 H new ATOM 0 HH21 ARG A 110 8.067 -1.135 -14.258 1.00 0.00 H new ATOM 0 HH22 ARG A 110 7.907 -2.835 -14.710 1.00 0.00 H new ATOM 1765 N ASP A 111 5.729 1.341 -14.750 1.00 0.00 N ATOM 1766 CA ASP A 111 5.948 1.608 -13.303 1.00 0.00 C ATOM 1767 C ASP A 111 7.244 0.989 -12.682 1.00 0.00 C ATOM 1768 O ASP A 111 8.074 0.353 -13.342 1.00 0.00 O ATOM 1769 CB ASP A 111 4.624 1.299 -12.558 1.00 0.00 C ATOM 1770 CG ASP A 111 4.406 2.243 -11.374 1.00 0.00 C ATOM 1771 OD1 ASP A 111 5.021 2.014 -10.311 1.00 0.00 O ATOM 1772 OD2 ASP A 111 3.703 3.260 -11.536 1.00 0.00 O ATOM 0 H ASP A 111 5.038 0.618 -14.950 1.00 0.00 H new ATOM 0 HA ASP A 111 6.184 2.664 -13.173 1.00 0.00 H new ATOM 0 HB2 ASP A 111 3.788 1.386 -13.251 1.00 0.00 H new ATOM 0 HB3 ASP A 111 4.638 0.268 -12.204 1.00 0.00 H new ATOM 1777 N LYS A 112 7.448 1.329 -11.410 1.00 0.00 N ATOM 1778 CA LYS A 112 8.773 1.427 -10.764 1.00 0.00 C ATOM 1779 C LYS A 112 8.651 1.245 -9.223 1.00 0.00 C ATOM 1780 O LYS A 112 8.830 2.183 -8.440 1.00 0.00 O ATOM 1781 CB LYS A 112 9.510 2.719 -11.224 1.00 0.00 C ATOM 1782 CG LYS A 112 9.067 4.119 -10.740 1.00 0.00 C ATOM 1783 CD LYS A 112 7.600 4.482 -10.997 1.00 0.00 C ATOM 1784 CE LYS A 112 7.170 5.885 -10.539 1.00 0.00 C ATOM 1785 NZ LYS A 112 7.709 6.948 -11.433 1.00 0.00 N ATOM 0 H LYS A 112 6.681 1.552 -10.776 1.00 0.00 H new ATOM 0 HA LYS A 112 9.411 0.606 -11.091 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.557 2.603 -10.943 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.472 2.734 -12.313 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.256 4.189 -9.669 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.696 4.866 -11.224 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.405 4.393 -12.066 1.00 0.00 H new ATOM 0 HD3 LYS A 112 6.970 3.747 -10.496 1.00 0.00 H new ATOM 0 HE2 LYS A 112 6.082 5.943 -10.520 1.00 0.00 H new ATOM 0 HE3 LYS A 112 7.516 6.057 -9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 7.397 7.880 -11.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.748 6.909 -11.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 7.358 6.799 -12.401 1.00 0.00 H new