USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 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 -10:sc= 0.358 USER MOD Set 1.2: A 88 TYR OH : rot -22:sc= 1.2 USER MOD Set 2.1: A 33 GLN : amide:sc= 1.17 K(o=2.4,f=-0.84!) USER MOD Set 2.2: A 43 SER OG : rot -60:sc= 1.27 USER MOD Single : A 19 LYS NZ :NH3+ 141:sc= 0.912 (180deg=-0.196) USER MOD Single : A 20 GLN : amide:sc= 0.729 K(o=0.73,f=-0.0074) USER MOD Single : A 21 ASN : amide:sc= 0.0667 X(o=0.067,f=0) USER MOD Single : A 25 GLN : amide:sc= 0.851 K(o=0.85,f=0) USER MOD Single : A 27 GLN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot 76:sc= 0.615 USER MOD Single : A 32 LYS NZ :NH3+ 174:sc= 2.35 (180deg=2.19) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -79:sc= 0.269 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 GLN : amide:sc= 0.563 K(o=0.56,f=-0.74) USER MOD Single : A 55 TYR OH : rot 51:sc= 1.06 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 1.08 K(o=1.1,f=-0.31) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= 1.2 K(o=1.2,f=-0.015) USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 4.250 -1.735 1.342 1.00 0.00 N ATOM 265 CA ILE A 18 2.760 -1.730 1.458 1.00 0.00 C ATOM 266 C ILE A 18 2.314 -2.774 2.516 1.00 0.00 C ATOM 267 O ILE A 18 1.998 -3.923 2.205 1.00 0.00 O ATOM 268 CB ILE A 18 2.154 -1.949 0.032 1.00 0.00 C ATOM 269 CG1 ILE A 18 2.397 -0.710 -0.882 1.00 0.00 C ATOM 270 CG2 ILE A 18 0.649 -2.299 -0.018 1.00 0.00 C ATOM 271 CD1 ILE A 18 1.675 0.563 -0.451 1.00 0.00 C ATOM 0 HA ILE A 18 2.382 -0.773 1.818 1.00 0.00 H new ATOM 0 HB ILE A 18 2.688 -2.827 -0.331 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.468 -0.508 -0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.086 -0.960 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.340 -2.428 -1.055 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.472 -3.224 0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.073 -1.492 0.435 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.907 1.367 -1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.599 0.387 -0.445 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.002 0.846 0.550 1.00 0.00 H new ATOM 283 N LYS A 19 2.263 -2.342 3.774 1.00 0.00 N ATOM 284 CA LYS A 19 1.563 -3.057 4.869 1.00 0.00 C ATOM 285 C LYS A 19 0.925 -1.910 5.750 1.00 0.00 C ATOM 286 O LYS A 19 1.549 -0.862 5.941 1.00 0.00 O ATOM 287 CB LYS A 19 2.455 -3.947 5.774 1.00 0.00 C ATOM 288 CG LYS A 19 3.657 -4.697 5.181 1.00 0.00 C ATOM 289 CD LYS A 19 3.472 -6.191 4.887 1.00 0.00 C ATOM 290 CE LYS A 19 2.854 -6.576 3.537 1.00 0.00 C ATOM 291 NZ LYS A 19 3.702 -6.118 2.402 1.00 0.00 N ATOM 0 H LYS A 19 2.708 -1.476 4.078 1.00 0.00 H new ATOM 0 HA LYS A 19 0.854 -3.756 4.425 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.834 -3.314 6.576 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.806 -4.691 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.940 -4.202 4.252 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.496 -4.589 5.868 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.448 -6.671 4.959 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.849 -6.614 5.675 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.730 -7.658 3.487 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.860 -6.137 3.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.706 -6.844 1.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.319 -5.230 2.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.674 -5.959 2.737 1.00 0.00 H new ATOM 305 N GLN A 20 -0.267 -2.108 6.318 1.00 0.00 N ATOM 306 CA GLN A 20 -1.001 -1.005 7.029 1.00 0.00 C ATOM 307 C GLN A 20 -0.239 -0.207 8.151 1.00 0.00 C ATOM 308 O GLN A 20 -0.402 1.013 8.210 1.00 0.00 O ATOM 309 CB GLN A 20 -2.363 -1.565 7.497 1.00 0.00 C ATOM 310 CG GLN A 20 -3.433 -0.512 7.866 1.00 0.00 C ATOM 311 CD GLN A 20 -3.971 0.305 6.696 1.00 0.00 C ATOM 312 OE1 GLN A 20 -4.782 -0.161 5.904 1.00 0.00 O ATOM 313 NE2 GLN A 20 -3.545 1.535 6.540 1.00 0.00 N ATOM 0 H GLN A 20 -0.757 -3.002 6.312 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.124 -0.209 6.295 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.764 -2.201 6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.193 -2.203 8.365 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.268 -1.020 8.348 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.008 0.172 8.601 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.870 1.928 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.888 2.099 5.763 1.00 0.00 H new ATOM 322 N ASN A 21 0.613 -0.862 8.965 1.00 0.00 N ATOM 323 CA ASN A 21 1.646 -0.152 9.778 1.00 0.00 C ATOM 324 C ASN A 21 3.074 -0.040 9.133 1.00 0.00 C ATOM 325 O ASN A 21 3.809 0.850 9.555 1.00 0.00 O ATOM 326 CB ASN A 21 1.670 -0.773 11.199 1.00 0.00 C ATOM 327 CG ASN A 21 2.540 -0.036 12.222 1.00 0.00 C ATOM 328 OD1 ASN A 21 3.606 -0.506 12.601 1.00 0.00 O ATOM 329 ND2 ASN A 21 2.150 1.141 12.659 1.00 0.00 N ATOM 0 H ASN A 21 0.614 -1.875 9.083 1.00 0.00 H new ATOM 0 HA ASN A 21 1.343 0.894 9.828 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.649 -0.813 11.577 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.022 -1.802 11.122 1.00 0.00 H new ATOM 0 HD21 ASN A 21 2.735 1.662 13.313 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.263 1.534 12.344 1.00 0.00 H new ATOM 336 N ALA A 22 3.480 -0.843 8.129 1.00 0.00 N ATOM 337 CA ALA A 22 4.722 -0.544 7.354 1.00 0.00 C ATOM 338 C ALA A 22 4.707 0.749 6.479 1.00 0.00 C ATOM 339 O ALA A 22 5.744 1.402 6.386 1.00 0.00 O ATOM 340 CB ALA A 22 5.130 -1.759 6.525 1.00 0.00 C ATOM 0 H ALA A 22 2.987 -1.686 7.834 1.00 0.00 H new ATOM 0 HA ALA A 22 5.470 -0.325 8.116 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.036 -1.529 5.965 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.317 -2.605 7.187 1.00 0.00 H new ATOM 0 HB3 ALA A 22 4.328 -2.012 5.831 1.00 0.00 H new ATOM 346 N VAL A 23 3.554 1.170 5.928 1.00 0.00 N ATOM 347 CA VAL A 23 3.382 2.550 5.387 1.00 0.00 C ATOM 348 C VAL A 23 3.575 3.691 6.463 1.00 0.00 C ATOM 349 O VAL A 23 4.131 4.731 6.114 1.00 0.00 O ATOM 350 CB VAL A 23 2.029 2.727 4.619 1.00 0.00 C ATOM 351 CG1 VAL A 23 1.988 4.093 3.889 1.00 0.00 C ATOM 352 CG2 VAL A 23 1.749 1.659 3.540 1.00 0.00 C ATOM 0 H VAL A 23 2.724 0.584 5.841 1.00 0.00 H new ATOM 0 HA VAL A 23 4.195 2.666 4.670 1.00 0.00 H new ATOM 0 HB VAL A 23 1.274 2.639 5.401 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.039 4.195 3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.087 4.898 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.809 4.148 3.174 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.791 1.866 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.540 1.683 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 23 1.719 0.673 4.003 1.00 0.00 H new ATOM 362 N GLU A 24 3.184 3.498 7.734 1.00 0.00 N ATOM 363 CA GLU A 24 3.723 4.320 8.859 1.00 0.00 C ATOM 364 C GLU A 24 5.255 4.131 9.113 1.00 0.00 C ATOM 365 O GLU A 24 6.000 5.112 9.078 1.00 0.00 O ATOM 366 CB GLU A 24 2.815 4.066 10.084 1.00 0.00 C ATOM 367 CG GLU A 24 3.072 4.931 11.332 1.00 0.00 C ATOM 368 CD GLU A 24 4.215 4.475 12.226 1.00 0.00 C ATOM 369 OE1 GLU A 24 4.086 3.418 12.882 1.00 0.00 O ATOM 370 OE2 GLU A 24 5.254 5.168 12.279 1.00 0.00 O ATOM 0 H GLU A 24 2.505 2.792 8.018 1.00 0.00 H new ATOM 0 HA GLU A 24 3.684 5.379 8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.780 4.214 9.776 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.916 3.019 10.370 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.273 5.952 11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 24 2.159 4.959 11.927 1.00 0.00 H new ATOM 377 N GLN A 25 5.717 2.891 9.334 1.00 0.00 N ATOM 378 CA GLN A 25 7.112 2.592 9.746 1.00 0.00 C ATOM 379 C GLN A 25 8.231 2.713 8.659 1.00 0.00 C ATOM 380 O GLN A 25 9.409 2.709 9.030 1.00 0.00 O ATOM 381 CB GLN A 25 7.150 1.186 10.404 1.00 0.00 C ATOM 382 CG GLN A 25 6.484 1.083 11.795 1.00 0.00 C ATOM 383 CD GLN A 25 7.281 1.717 12.926 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.415 1.339 13.206 1.00 0.00 O ATOM 385 NE2 GLN A 25 6.740 2.690 13.615 1.00 0.00 N ATOM 0 H GLN A 25 5.137 2.058 9.234 1.00 0.00 H new ATOM 0 HA GLN A 25 7.366 3.390 10.444 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.663 0.477 9.734 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.191 0.875 10.495 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.503 1.556 11.750 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.320 0.031 12.028 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.798 3.012 13.391 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.260 3.126 14.376 1.00 0.00 H new ATOM 394 N LEU A 26 7.924 2.897 7.365 1.00 0.00 N ATOM 395 CA LEU A 26 8.819 3.637 6.429 1.00 0.00 C ATOM 396 C LEU A 26 9.244 5.072 6.865 1.00 0.00 C ATOM 397 O LEU A 26 10.408 5.431 6.687 1.00 0.00 O ATOM 398 CB LEU A 26 8.306 3.521 4.973 1.00 0.00 C ATOM 399 CG LEU A 26 6.959 4.141 4.571 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.953 5.651 4.306 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.465 3.475 3.268 1.00 0.00 C ATOM 0 H LEU A 26 7.068 2.549 6.934 1.00 0.00 H new ATOM 0 HA LEU A 26 9.781 3.127 6.478 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.067 3.959 4.327 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.256 2.459 4.733 1.00 0.00 H new ATOM 0 HG LEU A 26 6.323 3.968 5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.947 5.968 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.267 6.180 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.641 5.880 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.509 3.910 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.195 3.640 2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.342 2.404 3.431 1.00 0.00 H new ATOM 413 N GLN A 27 8.310 5.843 7.453 1.00 0.00 N ATOM 414 CA GLN A 27 8.571 7.144 8.133 1.00 0.00 C ATOM 415 C GLN A 27 9.426 8.194 7.357 1.00 0.00 C ATOM 416 O GLN A 27 10.405 8.746 7.864 1.00 0.00 O ATOM 417 CB GLN A 27 8.986 6.827 9.593 1.00 0.00 C ATOM 418 CG GLN A 27 8.511 7.871 10.623 1.00 0.00 C ATOM 419 CD GLN A 27 8.744 7.437 12.067 1.00 0.00 C ATOM 420 OE1 GLN A 27 9.748 7.775 12.684 1.00 0.00 O ATOM 421 NE2 GLN A 27 7.847 6.689 12.670 1.00 0.00 N ATOM 0 H GLN A 27 7.325 5.579 7.474 1.00 0.00 H new ATOM 0 HA GLN A 27 7.649 7.726 8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.586 5.851 9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.072 6.752 9.642 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.032 8.812 10.444 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.448 8.062 10.474 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.006 6.399 12.171 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.992 6.399 13.637 1.00 0.00 H new ATOM 430 N VAL A 28 9.015 8.455 6.106 1.00 0.00 N ATOM 431 CA VAL A 28 9.787 9.280 5.136 1.00 0.00 C ATOM 432 C VAL A 28 9.215 10.737 5.134 1.00 0.00 C ATOM 433 O VAL A 28 8.009 10.930 4.972 1.00 0.00 O ATOM 434 CB VAL A 28 9.701 8.627 3.705 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.421 9.453 2.611 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.317 7.207 3.641 1.00 0.00 C ATOM 0 H VAL A 28 8.136 8.103 5.728 1.00 0.00 H new ATOM 0 HA VAL A 28 10.837 9.322 5.425 1.00 0.00 H new ATOM 0 HB VAL A 28 8.628 8.590 3.517 1.00 0.00 H new ATOM 0 HG11 VAL A 28 10.324 8.948 1.650 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.970 10.443 2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.477 9.550 2.864 1.00 0.00 H new ATOM 0 HG21 VAL A 28 10.224 6.816 2.628 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.370 7.255 3.917 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.790 6.550 4.333 1.00 0.00 H new ATOM 446 N GLY A 29 10.098 11.739 5.240 1.00 0.00 N ATOM 447 CA GLY A 29 9.735 13.164 5.027 1.00 0.00 C ATOM 448 C GLY A 29 10.695 13.889 4.068 1.00 0.00 C ATOM 449 O GLY A 29 11.415 14.793 4.492 1.00 0.00 O ATOM 0 H GLY A 29 11.080 11.596 5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.722 13.220 4.630 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.730 13.680 5.987 1.00 0.00 H new ATOM 453 N GLN A 30 10.713 13.472 2.790 1.00 0.00 N ATOM 454 CA GLN A 30 11.813 13.833 1.849 1.00 0.00 C ATOM 455 C GLN A 30 11.324 14.143 0.402 1.00 0.00 C ATOM 456 O GLN A 30 11.617 15.233 -0.093 1.00 0.00 O ATOM 457 CB GLN A 30 12.873 12.695 1.907 1.00 0.00 C ATOM 458 CG GLN A 30 14.179 12.994 1.143 1.00 0.00 C ATOM 459 CD GLN A 30 15.154 11.823 1.160 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.056 10.888 0.372 1.00 0.00 O ATOM 461 NE2 GLN A 30 16.122 11.823 2.044 1.00 0.00 N ATOM 0 H GLN A 30 9.987 12.887 2.377 1.00 0.00 H new ATOM 0 HA GLN A 30 12.263 14.774 2.166 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.116 12.495 2.951 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.431 11.784 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 30 13.940 13.247 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 30 14.660 13.868 1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 30 16.211 12.596 2.703 1.00 0.00 H new ATOM 0 HE22 GLN A 30 16.786 11.050 2.073 1.00 0.00 H new ATOM 470 N SER A 31 10.669 13.192 -0.290 1.00 0.00 N ATOM 471 CA SER A 31 10.430 13.291 -1.755 1.00 0.00 C ATOM 472 C SER A 31 9.124 12.567 -2.185 1.00 0.00 C ATOM 473 O SER A 31 8.900 11.396 -1.858 1.00 0.00 O ATOM 474 CB SER A 31 11.665 12.727 -2.505 1.00 0.00 C ATOM 475 OG SER A 31 11.456 12.662 -3.917 1.00 0.00 O ATOM 0 H SER A 31 10.293 12.344 0.135 1.00 0.00 H new ATOM 0 HA SER A 31 10.294 14.340 -2.018 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.532 13.354 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.894 11.731 -2.127 1.00 0.00 H new ATOM 0 HG SER A 31 11.527 13.561 -4.300 1.00 0.00 H new ATOM 481 N LYS A 32 8.297 13.277 -2.971 1.00 0.00 N ATOM 482 CA LYS A 32 7.008 12.756 -3.498 1.00 0.00 C ATOM 483 C LYS A 32 7.086 11.578 -4.493 1.00 0.00 C ATOM 484 O LYS A 32 6.376 10.587 -4.308 1.00 0.00 O ATOM 485 CB LYS A 32 6.111 13.925 -3.973 1.00 0.00 C ATOM 486 CG LYS A 32 6.497 14.698 -5.249 1.00 0.00 C ATOM 487 CD LYS A 32 5.809 16.086 -5.271 1.00 0.00 C ATOM 488 CE LYS A 32 6.409 17.021 -6.335 1.00 0.00 C ATOM 489 NZ LYS A 32 6.095 18.442 -5.996 1.00 0.00 N ATOM 0 H LYS A 32 8.498 14.233 -3.264 1.00 0.00 H new ATOM 0 HA LYS A 32 6.527 12.269 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.106 13.529 -4.121 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.053 14.646 -3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.579 14.821 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.205 14.127 -6.130 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.744 15.957 -5.463 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.902 16.550 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.489 16.880 -6.389 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.006 16.775 -7.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.587 19.074 -6.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.069 18.597 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.410 18.645 -5.026 1.00 0.00 H new ATOM 503 N GLN A 33 7.958 11.659 -5.506 1.00 0.00 N ATOM 504 CA GLN A 33 8.228 10.519 -6.416 1.00 0.00 C ATOM 505 C GLN A 33 8.930 9.289 -5.775 1.00 0.00 C ATOM 506 O GLN A 33 8.542 8.166 -6.090 1.00 0.00 O ATOM 507 CB GLN A 33 8.971 11.088 -7.642 1.00 0.00 C ATOM 508 CG GLN A 33 9.260 10.080 -8.771 1.00 0.00 C ATOM 509 CD GLN A 33 8.049 9.470 -9.469 1.00 0.00 C ATOM 510 OE1 GLN A 33 6.942 10.007 -9.506 1.00 0.00 O ATOM 511 NE2 GLN A 33 8.213 8.312 -10.057 1.00 0.00 N ATOM 0 H GLN A 33 8.493 12.500 -5.723 1.00 0.00 H new ATOM 0 HA GLN A 33 7.274 10.080 -6.709 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.382 11.908 -8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.917 11.512 -7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.872 10.578 -9.523 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.860 9.269 -8.358 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.124 7.854 -10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.430 7.868 -10.537 1.00 0.00 H new ATOM 520 N GLN A 34 9.917 9.483 -4.892 1.00 0.00 N ATOM 521 CA GLN A 34 10.562 8.375 -4.140 1.00 0.00 C ATOM 522 C GLN A 34 9.587 7.562 -3.228 1.00 0.00 C ATOM 523 O GLN A 34 9.544 6.337 -3.358 1.00 0.00 O ATOM 524 CB GLN A 34 11.758 8.901 -3.308 1.00 0.00 C ATOM 525 CG GLN A 34 12.945 9.486 -4.099 1.00 0.00 C ATOM 526 CD GLN A 34 13.719 8.489 -4.945 1.00 0.00 C ATOM 527 OE1 GLN A 34 13.372 8.195 -6.084 1.00 0.00 O ATOM 528 NE2 GLN A 34 14.788 7.927 -4.433 1.00 0.00 N ATOM 0 H GLN A 34 10.297 10.404 -4.672 1.00 0.00 H new ATOM 0 HA GLN A 34 10.915 7.677 -4.899 1.00 0.00 H new ATOM 0 HB2 GLN A 34 11.389 9.670 -2.629 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.130 8.083 -2.691 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.572 10.276 -4.750 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.634 9.952 -3.395 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.085 8.164 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.322 7.253 -4.981 1.00 0.00 H new ATOM 537 N VAL A 35 8.777 8.219 -2.374 1.00 0.00 N ATOM 538 CA VAL A 35 7.688 7.519 -1.623 1.00 0.00 C ATOM 539 C VAL A 35 6.576 6.876 -2.512 1.00 0.00 C ATOM 540 O VAL A 35 6.192 5.735 -2.252 1.00 0.00 O ATOM 541 CB VAL A 35 7.181 8.422 -0.460 1.00 0.00 C ATOM 542 CG1 VAL A 35 6.248 9.567 -0.879 1.00 0.00 C ATOM 543 CG2 VAL A 35 6.482 7.598 0.640 1.00 0.00 C ATOM 0 H VAL A 35 8.845 9.218 -2.181 1.00 0.00 H new ATOM 0 HA VAL A 35 8.122 6.628 -1.169 1.00 0.00 H new ATOM 0 HB VAL A 35 8.094 8.880 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.951 10.136 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.768 10.224 -1.576 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.361 9.156 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.143 8.264 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.626 7.075 0.214 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.183 6.872 1.051 1.00 0.00 H new ATOM 553 N SER A 36 6.111 7.565 -3.567 1.00 0.00 N ATOM 554 CA SER A 36 5.166 6.984 -4.557 1.00 0.00 C ATOM 555 C SER A 36 5.713 5.803 -5.409 1.00 0.00 C ATOM 556 O SER A 36 5.004 4.809 -5.558 1.00 0.00 O ATOM 557 CB SER A 36 4.636 8.158 -5.412 1.00 0.00 C ATOM 558 OG SER A 36 3.402 7.853 -6.053 1.00 0.00 O ATOM 0 H SER A 36 6.371 8.531 -3.764 1.00 0.00 H new ATOM 0 HA SER A 36 4.359 6.494 -4.012 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.505 9.035 -4.778 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.379 8.418 -6.166 1.00 0.00 H new ATOM 0 HG SER A 36 3.573 7.306 -6.848 1.00 0.00 H new ATOM 564 N ALA A 37 6.965 5.851 -5.890 1.00 0.00 N ATOM 565 CA ALA A 37 7.648 4.678 -6.495 1.00 0.00 C ATOM 566 C ALA A 37 7.875 3.447 -5.559 1.00 0.00 C ATOM 567 O ALA A 37 7.645 2.318 -5.998 1.00 0.00 O ATOM 568 CB ALA A 37 8.972 5.181 -7.089 1.00 0.00 C ATOM 0 H ALA A 37 7.537 6.695 -5.875 1.00 0.00 H new ATOM 0 HA ALA A 37 6.977 4.275 -7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.506 4.347 -7.545 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.767 5.938 -7.846 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.584 5.615 -6.298 1.00 0.00 H new ATOM 574 N LEU A 38 8.264 3.664 -4.290 1.00 0.00 N ATOM 575 CA LEU A 38 8.241 2.607 -3.239 1.00 0.00 C ATOM 576 C LEU A 38 6.823 1.999 -2.954 1.00 0.00 C ATOM 577 O LEU A 38 6.649 0.784 -3.039 1.00 0.00 O ATOM 578 CB LEU A 38 8.880 3.168 -1.935 1.00 0.00 C ATOM 579 CG LEU A 38 10.378 2.866 -1.719 1.00 0.00 C ATOM 580 CD1 LEU A 38 11.302 3.523 -2.745 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.771 3.347 -0.307 1.00 0.00 C ATOM 0 H LEU A 38 8.602 4.567 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 38 8.826 1.772 -3.624 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.745 4.250 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.326 2.771 -1.085 1.00 0.00 H new ATOM 0 HG LEU A 38 10.506 1.790 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 38 12.337 3.261 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 38 11.045 3.171 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 38 11.184 4.606 -2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.828 3.143 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 38 10.591 4.419 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.173 2.820 0.436 1.00 0.00 H new ATOM 593 N LEU A 39 5.833 2.838 -2.648 1.00 0.00 N ATOM 594 CA LEU A 39 4.419 2.404 -2.477 1.00 0.00 C ATOM 595 C LEU A 39 3.647 1.880 -3.754 1.00 0.00 C ATOM 596 O LEU A 39 2.591 1.259 -3.624 1.00 0.00 O ATOM 597 CB LEU A 39 3.669 3.623 -1.888 1.00 0.00 C ATOM 598 CG LEU A 39 4.038 4.031 -0.438 1.00 0.00 C ATOM 599 CD1 LEU A 39 3.331 5.358 -0.114 1.00 0.00 C ATOM 600 CD2 LEU A 39 3.627 2.991 0.601 1.00 0.00 C ATOM 0 H LEU A 39 5.973 3.839 -2.509 1.00 0.00 H new ATOM 0 HA LEU A 39 4.446 1.522 -1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.847 4.479 -2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.600 3.414 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 39 5.123 4.123 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.578 5.663 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.661 6.126 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.253 5.227 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.913 3.336 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.547 2.847 0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.127 2.046 0.387 1.00 0.00 H new ATOM 612 N GLY A 40 4.163 2.160 -4.947 1.00 0.00 N ATOM 613 CA GLY A 40 3.718 1.535 -6.212 1.00 0.00 C ATOM 614 C GLY A 40 2.771 2.392 -7.052 1.00 0.00 C ATOM 615 O GLY A 40 1.602 2.043 -7.239 1.00 0.00 O ATOM 0 H GLY A 40 4.915 2.837 -5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.596 1.295 -6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.223 0.592 -5.980 1.00 0.00 H new ATOM 619 N THR A 41 3.239 3.560 -7.505 1.00 0.00 N ATOM 620 CA THR A 41 2.351 4.631 -8.044 1.00 0.00 C ATOM 621 C THR A 41 3.219 5.706 -8.790 1.00 0.00 C ATOM 622 O THR A 41 4.253 6.117 -8.251 1.00 0.00 O ATOM 623 CB THR A 41 1.539 5.292 -6.879 1.00 0.00 C ATOM 624 OG1 THR A 41 0.735 4.322 -6.217 1.00 0.00 O ATOM 625 CG2 THR A 41 0.575 6.391 -7.302 1.00 0.00 C ATOM 0 H THR A 41 4.230 3.802 -7.515 1.00 0.00 H new ATOM 0 HA THR A 41 1.645 4.195 -8.751 1.00 0.00 H new ATOM 0 HB THR A 41 2.313 5.726 -6.246 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.737 3.488 -6.732 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.062 6.783 -6.424 1.00 0.00 H new ATOM 0 HG22 THR A 41 1.129 7.194 -7.788 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.158 5.984 -7.998 1.00 0.00 H new ATOM 633 N PRO A 42 2.826 6.257 -9.967 1.00 0.00 N ATOM 634 CA PRO A 42 3.406 7.542 -10.475 1.00 0.00 C ATOM 635 C PRO A 42 2.851 8.787 -9.721 1.00 0.00 C ATOM 636 O PRO A 42 1.639 8.896 -9.488 1.00 0.00 O ATOM 637 CB PRO A 42 2.985 7.491 -11.966 1.00 0.00 C ATOM 638 CG PRO A 42 1.620 6.760 -11.955 1.00 0.00 C ATOM 639 CD PRO A 42 1.759 5.714 -10.834 1.00 0.00 C ATOM 0 HA PRO A 42 4.482 7.639 -10.328 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.897 8.492 -12.389 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.718 6.955 -12.568 1.00 0.00 H new ATOM 0 HG2 PRO A 42 0.800 7.450 -11.756 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.413 6.289 -12.916 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.825 5.590 -10.286 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.028 4.736 -11.232 1.00 0.00 H new ATOM 647 N SER A 43 3.740 9.720 -9.346 1.00 0.00 N ATOM 648 CA SER A 43 3.356 10.923 -8.553 1.00 0.00 C ATOM 649 C SER A 43 2.670 12.037 -9.408 1.00 0.00 C ATOM 650 O SER A 43 1.748 11.738 -10.172 1.00 0.00 O ATOM 651 CB SER A 43 4.578 11.338 -7.689 1.00 0.00 C ATOM 652 OG SER A 43 5.644 11.909 -8.447 1.00 0.00 O ATOM 0 H SER A 43 4.733 9.674 -9.574 1.00 0.00 H new ATOM 0 HA SER A 43 2.550 10.692 -7.857 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.253 12.056 -6.936 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.950 10.463 -7.156 1.00 0.00 H new ATOM 0 HG SER A 43 5.961 11.258 -9.107 1.00 0.00 H new ATOM 658 N ILE A 44 3.069 13.311 -9.271 1.00 0.00 N ATOM 659 CA ILE A 44 2.511 14.425 -10.090 1.00 0.00 C ATOM 660 C ILE A 44 3.741 15.122 -10.768 1.00 0.00 C ATOM 661 O ILE A 44 4.347 15.988 -10.127 1.00 0.00 O ATOM 662 CB ILE A 44 1.601 15.401 -9.251 1.00 0.00 C ATOM 663 CG1 ILE A 44 0.367 14.660 -8.654 1.00 0.00 C ATOM 664 CG2 ILE A 44 1.094 16.570 -10.137 1.00 0.00 C ATOM 665 CD1 ILE A 44 -0.445 15.481 -7.653 1.00 0.00 C ATOM 0 H ILE A 44 3.778 13.607 -8.601 1.00 0.00 H new ATOM 0 HA ILE A 44 1.827 14.053 -10.853 1.00 0.00 H new ATOM 0 HB ILE A 44 2.213 15.787 -8.436 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.288 14.356 -9.471 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.709 13.749 -8.164 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.467 17.233 -9.541 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.946 17.128 -10.526 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.512 16.171 -10.968 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.283 14.886 -7.290 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.190 15.763 -6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.822 16.380 -8.141 1.00 0.00 H new ATOM 677 N PRO A 45 4.137 14.810 -12.034 1.00 0.00 N ATOM 678 CA PRO A 45 5.284 15.508 -12.707 1.00 0.00 C ATOM 679 C PRO A 45 4.882 16.830 -13.424 1.00 0.00 C ATOM 680 O PRO A 45 4.937 16.945 -14.651 1.00 0.00 O ATOM 681 CB PRO A 45 5.797 14.379 -13.640 1.00 0.00 C ATOM 682 CG PRO A 45 4.520 13.612 -14.056 1.00 0.00 C ATOM 683 CD PRO A 45 3.646 13.636 -12.791 1.00 0.00 C ATOM 0 HA PRO A 45 6.048 15.887 -12.029 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.316 14.786 -14.508 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.502 13.727 -13.124 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.020 14.094 -14.896 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.749 12.592 -14.364 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.589 13.735 -13.039 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.754 12.717 -12.215 1.00 0.00 H new ATOM 691 N ASP A 46 4.507 17.831 -12.617 1.00 0.00 N ATOM 692 CA ASP A 46 4.101 19.169 -13.100 1.00 0.00 C ATOM 693 C ASP A 46 5.169 20.238 -12.693 1.00 0.00 C ATOM 694 O ASP A 46 5.374 20.441 -11.489 1.00 0.00 O ATOM 695 CB ASP A 46 2.686 19.491 -12.556 1.00 0.00 C ATOM 696 CG ASP A 46 2.139 20.868 -12.938 1.00 0.00 C ATOM 697 OD1 ASP A 46 2.454 21.380 -14.034 1.00 0.00 O ATOM 698 OD2 ASP A 46 1.433 21.479 -12.108 1.00 0.00 O ATOM 0 H ASP A 46 4.475 17.740 -11.602 1.00 0.00 H new ATOM 0 HA ASP A 46 4.050 19.185 -14.189 1.00 0.00 H new ATOM 0 HB2 ASP A 46 1.994 18.730 -12.916 1.00 0.00 H new ATOM 0 HB3 ASP A 46 2.706 19.414 -11.469 1.00 0.00 H new ATOM 703 N PRO A 47 5.809 20.996 -13.623 1.00 0.00 N ATOM 704 CA PRO A 47 6.556 22.240 -13.257 1.00 0.00 C ATOM 705 C PRO A 47 5.726 23.497 -12.850 1.00 0.00 C ATOM 706 O PRO A 47 6.335 24.451 -12.360 1.00 0.00 O ATOM 707 CB PRO A 47 7.396 22.466 -14.542 1.00 0.00 C ATOM 708 CG PRO A 47 6.483 21.974 -15.689 1.00 0.00 C ATOM 709 CD PRO A 47 5.730 20.776 -15.084 1.00 0.00 C ATOM 0 HA PRO A 47 7.115 22.103 -12.331 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.658 23.517 -14.666 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.330 21.906 -14.510 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.795 22.755 -16.013 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.065 21.679 -16.562 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.696 20.742 -15.426 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.191 19.831 -15.370 1.00 0.00 H new ATOM 717 N PHE A 48 4.390 23.519 -13.016 1.00 0.00 N ATOM 718 CA PHE A 48 3.528 24.627 -12.531 1.00 0.00 C ATOM 719 C PHE A 48 3.264 24.510 -11.002 1.00 0.00 C ATOM 720 O PHE A 48 3.775 25.352 -10.260 1.00 0.00 O ATOM 721 CB PHE A 48 2.273 24.665 -13.438 1.00 0.00 C ATOM 722 CG PHE A 48 1.509 26.005 -13.521 1.00 0.00 C ATOM 723 CD1 PHE A 48 1.149 26.748 -12.380 1.00 0.00 C ATOM 724 CD2 PHE A 48 1.120 26.495 -14.778 1.00 0.00 C ATOM 725 CE1 PHE A 48 0.436 27.943 -12.496 1.00 0.00 C ATOM 726 CE2 PHE A 48 0.406 27.690 -14.895 1.00 0.00 C ATOM 727 CZ PHE A 48 0.066 28.411 -13.753 1.00 0.00 C ATOM 0 H PHE A 48 3.874 22.776 -13.487 1.00 0.00 H new ATOM 0 HA PHE A 48 4.015 25.598 -12.617 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.575 24.384 -14.447 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.579 23.900 -13.089 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.429 26.388 -11.401 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.377 25.940 -15.668 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.172 28.503 -11.611 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.118 28.054 -15.870 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.486 29.335 -13.843 1.00 0.00 H new ATOM 737 N HIS A 49 2.474 23.529 -10.516 1.00 0.00 N ATOM 738 CA HIS A 49 2.214 23.371 -9.057 1.00 0.00 C ATOM 739 C HIS A 49 1.880 21.885 -8.712 1.00 0.00 C ATOM 740 O HIS A 49 0.715 21.510 -8.538 1.00 0.00 O ATOM 741 CB HIS A 49 1.115 24.380 -8.640 1.00 0.00 C ATOM 742 CG HIS A 49 0.927 24.649 -7.133 1.00 0.00 C ATOM 743 ND1 HIS A 49 -0.046 25.524 -6.693 1.00 0.00 N ATOM 744 CD2 HIS A 49 1.627 24.134 -6.008 1.00 0.00 C ATOM 745 CE1 HIS A 49 0.144 25.456 -5.340 1.00 0.00 C ATOM 746 NE2 HIS A 49 1.121 24.645 -4.827 1.00 0.00 N ATOM 0 H HIS A 49 2.006 22.837 -11.101 1.00 0.00 H new ATOM 0 HA HIS A 49 3.106 23.602 -8.475 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.330 25.331 -9.127 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.165 24.026 -9.039 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.448 23.434 -6.068 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -0.476 26.041 -4.677 1.00 0.00 H new ATOM 0 HE2 HIS A 49 1.394 24.470 -3.860 1.00 0.00 H new ATOM 754 N ALA A 50 2.928 21.061 -8.546 1.00 0.00 N ATOM 755 CA ALA A 50 2.778 19.626 -8.214 1.00 0.00 C ATOM 756 C ALA A 50 2.564 19.353 -6.692 1.00 0.00 C ATOM 757 O ALA A 50 3.500 19.417 -5.888 1.00 0.00 O ATOM 758 CB ALA A 50 4.044 18.953 -8.751 1.00 0.00 C ATOM 0 H ALA A 50 3.898 21.363 -8.636 1.00 0.00 H new ATOM 0 HA ALA A 50 1.875 19.221 -8.671 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.005 17.884 -8.541 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.110 19.109 -9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.919 19.386 -8.267 1.00 0.00 H new ATOM 764 N GLN A 51 1.314 19.056 -6.326 1.00 0.00 N ATOM 765 CA GLN A 51 0.840 19.102 -4.908 1.00 0.00 C ATOM 766 C GLN A 51 0.721 17.677 -4.247 1.00 0.00 C ATOM 767 O GLN A 51 1.346 16.712 -4.694 1.00 0.00 O ATOM 768 CB GLN A 51 -0.521 19.867 -4.982 1.00 0.00 C ATOM 769 CG GLN A 51 -0.404 21.374 -5.284 1.00 0.00 C ATOM 770 CD GLN A 51 -1.708 21.970 -5.792 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.687 22.107 -5.065 1.00 0.00 O ATOM 772 NE2 GLN A 51 -1.778 22.304 -7.058 1.00 0.00 N ATOM 0 H GLN A 51 0.591 18.776 -6.989 1.00 0.00 H new ATOM 0 HA GLN A 51 1.553 19.607 -4.256 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -1.140 19.404 -5.751 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.044 19.741 -4.034 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -0.096 21.899 -4.380 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.378 21.533 -6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -0.964 22.190 -7.661 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.647 22.678 -7.439 1.00 0.00 H new ATOM 781 N ARG A 52 -0.073 17.567 -3.164 1.00 0.00 N ATOM 782 CA ARG A 52 -0.583 16.288 -2.601 1.00 0.00 C ATOM 783 C ARG A 52 -1.027 15.171 -3.604 1.00 0.00 C ATOM 784 O ARG A 52 -1.601 15.458 -4.656 1.00 0.00 O ATOM 785 CB ARG A 52 -1.741 16.645 -1.612 1.00 0.00 C ATOM 786 CG ARG A 52 -3.155 16.919 -2.150 1.00 0.00 C ATOM 787 CD ARG A 52 -3.348 18.135 -3.061 1.00 0.00 C ATOM 788 NE ARG A 52 -4.747 18.097 -3.543 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.221 18.748 -4.592 1.00 0.00 C ATOM 790 NH1 ARG A 52 -4.665 19.809 -5.117 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.319 18.289 -5.112 1.00 0.00 N ATOM 0 H ARG A 52 -0.389 18.382 -2.639 1.00 0.00 H new ATOM 0 HA ARG A 52 0.272 15.818 -2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.820 15.827 -0.896 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.430 17.528 -1.054 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.483 16.035 -2.697 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.823 17.031 -1.296 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.152 19.059 -2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.651 18.104 -3.898 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.403 17.518 -3.020 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.807 20.187 -4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.089 20.259 -5.928 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.769 17.467 -4.710 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.731 18.751 -5.923 1.00 0.00 H new ATOM 805 N TRP A 53 -0.824 13.908 -3.220 1.00 0.00 N ATOM 806 CA TRP A 53 -1.405 12.734 -3.947 1.00 0.00 C ATOM 807 C TRP A 53 -2.740 12.380 -3.258 1.00 0.00 C ATOM 808 O TRP A 53 -2.742 11.643 -2.274 1.00 0.00 O ATOM 809 CB TRP A 53 -0.304 11.657 -3.951 1.00 0.00 C ATOM 810 CG TRP A 53 -0.599 10.130 -4.124 1.00 0.00 C ATOM 811 CD1 TRP A 53 -1.806 9.446 -4.474 1.00 0.00 C ATOM 812 CD2 TRP A 53 0.289 9.100 -3.800 1.00 0.00 C ATOM 813 NE1 TRP A 53 -1.680 8.049 -4.378 1.00 0.00 N ATOM 814 CE2 TRP A 53 -0.389 7.856 -3.938 1.00 0.00 C ATOM 815 CE3 TRP A 53 1.619 9.129 -3.264 1.00 0.00 C ATOM 816 CZ2 TRP A 53 0.254 6.648 -3.533 1.00 0.00 C ATOM 817 CZ3 TRP A 53 2.203 7.941 -2.848 1.00 0.00 C ATOM 818 CH2 TRP A 53 1.532 6.714 -2.989 1.00 0.00 C ATOM 0 H TRP A 53 -0.262 13.653 -2.408 1.00 0.00 H new ATOM 0 HA TRP A 53 -1.672 12.897 -4.991 1.00 0.00 H new ATOM 0 HB2 TRP A 53 0.390 11.929 -4.746 1.00 0.00 H new ATOM 0 HB3 TRP A 53 0.234 11.762 -3.009 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -2.713 9.947 -4.778 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -2.384 7.341 -4.586 1.00 0.00 H new ATOM 0 HE3 TRP A 53 2.158 10.062 -3.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.245 5.697 -3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.189 7.959 -2.409 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.019 5.805 -2.669 1.00 0.00 H new ATOM 829 N ASP A 54 -3.850 12.906 -3.786 1.00 0.00 N ATOM 830 CA ASP A 54 -5.225 12.644 -3.272 1.00 0.00 C ATOM 831 C ASP A 54 -6.140 11.840 -4.254 1.00 0.00 C ATOM 832 O ASP A 54 -7.316 12.161 -4.449 1.00 0.00 O ATOM 833 CB ASP A 54 -5.809 14.002 -2.818 1.00 0.00 C ATOM 834 CG ASP A 54 -6.021 15.123 -3.827 1.00 0.00 C ATOM 835 OD1 ASP A 54 -5.472 15.095 -4.946 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.671 16.127 -3.460 1.00 0.00 O ATOM 0 H ASP A 54 -3.834 13.533 -4.590 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.174 11.966 -2.420 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.774 13.799 -2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.155 14.390 -2.037 1.00 0.00 H new ATOM 841 N TYR A 55 -5.603 10.758 -4.842 1.00 0.00 N ATOM 842 CA TYR A 55 -6.232 10.064 -5.986 1.00 0.00 C ATOM 843 C TYR A 55 -6.491 8.563 -5.689 1.00 0.00 C ATOM 844 O TYR A 55 -5.647 7.688 -5.916 1.00 0.00 O ATOM 845 CB TYR A 55 -5.508 10.375 -7.317 1.00 0.00 C ATOM 846 CG TYR A 55 -3.984 10.315 -7.447 1.00 0.00 C ATOM 847 CD1 TYR A 55 -3.317 9.151 -7.867 1.00 0.00 C ATOM 848 CD2 TYR A 55 -3.231 11.482 -7.247 1.00 0.00 C ATOM 849 CE1 TYR A 55 -1.931 9.157 -8.071 1.00 0.00 C ATOM 850 CE2 TYR A 55 -1.851 11.485 -7.450 1.00 0.00 C ATOM 851 CZ TYR A 55 -1.200 10.324 -7.855 1.00 0.00 C ATOM 852 OH TYR A 55 0.156 10.353 -7.975 1.00 0.00 O ATOM 0 H TYR A 55 -4.723 10.338 -4.541 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.232 10.473 -6.130 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -5.914 9.691 -8.062 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.809 11.381 -7.610 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.878 8.244 -8.034 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.726 12.389 -6.932 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -1.429 8.258 -8.396 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.286 12.392 -7.292 1.00 0.00 H new ATOM 0 HH TYR A 55 0.417 9.964 -8.836 1.00 0.00 H new ATOM 862 N THR A 56 -7.728 8.293 -5.235 1.00 0.00 N ATOM 863 CA THR A 56 -8.261 6.924 -4.978 1.00 0.00 C ATOM 864 C THR A 56 -8.446 6.140 -6.315 1.00 0.00 C ATOM 865 O THR A 56 -9.363 6.409 -7.096 1.00 0.00 O ATOM 866 CB THR A 56 -9.604 7.093 -4.199 1.00 0.00 C ATOM 867 OG1 THR A 56 -9.412 7.842 -3.001 1.00 0.00 O ATOM 868 CG2 THR A 56 -10.260 5.794 -3.751 1.00 0.00 C ATOM 0 H THR A 56 -8.405 9.027 -5.030 1.00 0.00 H new ATOM 0 HA THR A 56 -7.563 6.335 -4.382 1.00 0.00 H new ATOM 0 HB THR A 56 -10.247 7.591 -4.924 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.268 7.935 -2.533 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.185 6.018 -3.220 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.482 5.179 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 56 -9.583 5.254 -3.089 1.00 0.00 H new ATOM 1095 N LYS A 70 -4.852 1.686 -5.038 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.140 2.735 -4.269 1.00 0.00 C ATOM 1097 C LYS A 70 -5.213 3.723 -3.692 1.00 0.00 C ATOM 1098 O LYS A 70 -5.476 4.798 -4.249 1.00 0.00 O ATOM 1099 CB LYS A 70 -3.160 3.514 -5.195 1.00 0.00 C ATOM 1100 CG LYS A 70 -2.137 2.696 -6.000 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.836 3.304 -7.385 1.00 0.00 C ATOM 1102 CE LYS A 70 -2.997 3.159 -8.370 1.00 0.00 C ATOM 1103 NZ LYS A 70 -2.614 3.718 -9.692 1.00 0.00 N ATOM 0 HA LYS A 70 -3.563 2.279 -3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.755 4.095 -5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.611 4.226 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -1.210 2.624 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.512 1.681 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.598 4.361 -7.267 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.952 2.822 -7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.267 2.108 -8.475 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -3.876 3.677 -7.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.408 3.616 -10.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.378 4.725 -9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.787 3.205 -10.060 1.00 0.00 H new ATOM 1117 N ASN A 71 -5.841 3.345 -2.577 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.915 4.172 -1.949 1.00 0.00 C ATOM 1119 C ASN A 71 -6.308 5.142 -0.882 1.00 0.00 C ATOM 1120 O ASN A 71 -6.473 4.959 0.327 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.997 3.237 -1.364 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.806 2.420 -2.364 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.953 2.747 -3.538 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.380 1.327 -1.929 1.00 0.00 N ATOM 0 H ASN A 71 -5.637 2.478 -2.080 1.00 0.00 H new ATOM 0 HA ASN A 71 -7.391 4.803 -2.699 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -7.513 2.547 -0.672 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.690 3.842 -0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.941 0.759 -2.563 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.266 1.044 -0.956 1.00 0.00 H new ATOM 1131 N PHE A 72 -5.558 6.156 -1.355 1.00 0.00 N ATOM 1132 CA PHE A 72 -4.501 6.801 -0.526 1.00 0.00 C ATOM 1133 C PHE A 72 -4.457 8.338 -0.733 1.00 0.00 C ATOM 1134 O PHE A 72 -4.359 8.824 -1.864 1.00 0.00 O ATOM 1135 CB PHE A 72 -3.156 6.117 -0.901 1.00 0.00 C ATOM 1136 CG PHE A 72 -2.041 6.290 0.140 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -2.075 5.559 1.338 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.947 7.135 -0.103 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -1.051 5.682 2.276 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.092 7.234 0.823 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.035 6.513 2.013 1.00 0.00 C ATOM 0 H PHE A 72 -5.656 6.547 -2.292 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.711 6.667 0.535 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.334 5.052 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.812 6.519 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.903 4.894 1.535 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.909 7.713 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.100 5.134 3.205 1.00 0.00 H new ATOM 0 HE2 PHE A 72 0.940 7.870 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.835 6.599 2.734 1.00 0.00 H new ATOM 1151 N THR A 73 -4.510 9.091 0.376 1.00 0.00 N ATOM 1152 CA THR A 73 -4.344 10.571 0.368 1.00 0.00 C ATOM 1153 C THR A 73 -3.092 10.942 1.213 1.00 0.00 C ATOM 1154 O THR A 73 -3.055 10.737 2.431 1.00 0.00 O ATOM 1155 CB THR A 73 -5.647 11.227 0.890 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.723 10.865 0.027 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.627 12.752 0.904 1.00 0.00 C ATOM 0 H THR A 73 -4.668 8.703 1.306 1.00 0.00 H new ATOM 0 HA THR A 73 -4.176 10.949 -0.641 1.00 0.00 H new ATOM 0 HB THR A 73 -5.756 10.873 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.553 11.274 0.350 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.578 13.125 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.818 13.099 1.547 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.470 13.123 -0.109 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.076 11.514 0.558 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.806 11.935 1.217 1.00 0.00 C ATOM 1167 C VAL A 74 -0.439 13.386 0.791 1.00 0.00 C ATOM 1168 O VAL A 74 -0.435 13.735 -0.393 1.00 0.00 O ATOM 1169 CB VAL A 74 0.327 10.895 0.991 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.644 10.574 -0.470 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.666 11.298 1.648 1.00 0.00 C ATOM 0 H VAL A 74 -2.098 11.704 -0.444 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.948 11.959 2.297 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.097 10.010 1.464 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.448 9.839 -0.515 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.245 10.170 -0.955 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.955 11.484 -0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.413 10.529 1.452 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.004 12.247 1.232 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.526 11.402 2.724 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.097 14.212 1.784 1.00 0.00 N ATOM 1182 CA PHE A 75 0.181 15.653 1.581 1.00 0.00 C ATOM 1183 C PHE A 75 1.701 15.951 1.452 1.00 0.00 C ATOM 1184 O PHE A 75 2.542 15.357 2.135 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.464 16.451 2.749 1.00 0.00 C ATOM 1186 CG PHE A 75 -1.991 16.595 2.586 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.862 15.612 3.082 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.533 17.680 1.880 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.239 15.716 2.888 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -3.910 17.780 1.677 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.761 16.799 2.183 1.00 0.00 C ATOM 0 H PHE A 75 -0.003 13.909 2.754 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.260 15.967 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.247 15.949 3.692 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -0.012 17.441 2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.461 14.766 3.620 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.878 18.445 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.900 14.959 3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.316 18.617 1.128 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.827 16.878 2.028 1.00 0.00 H new ATOM 1201 N PHE A 76 2.021 16.905 0.572 1.00 0.00 N ATOM 1202 CA PHE A 76 3.414 17.339 0.301 1.00 0.00 C ATOM 1203 C PHE A 76 3.497 18.900 0.366 1.00 0.00 C ATOM 1204 O PHE A 76 2.610 19.598 -0.139 1.00 0.00 O ATOM 1205 CB PHE A 76 3.894 16.861 -1.100 1.00 0.00 C ATOM 1206 CG PHE A 76 3.847 15.342 -1.337 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.691 14.462 -0.642 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.911 14.805 -2.230 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.559 13.082 -0.801 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.793 13.426 -2.402 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.611 12.565 -1.681 1.00 0.00 C ATOM 0 H PHE A 76 1.325 17.406 0.020 1.00 0.00 H new ATOM 0 HA PHE A 76 4.060 16.893 1.058 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.282 17.348 -1.859 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.918 17.202 -1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.448 14.856 0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.272 15.468 -2.793 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.194 12.412 -0.240 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.067 13.028 -3.095 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.512 11.496 -1.803 1.00 0.00 H new ATOM 1221 N GLU A 77 4.575 19.428 0.960 1.00 0.00 N ATOM 1222 CA GLU A 77 4.824 20.905 1.016 1.00 0.00 C ATOM 1223 C GLU A 77 5.398 21.420 -0.334 1.00 0.00 C ATOM 1224 O GLU A 77 4.679 22.055 -1.109 1.00 0.00 O ATOM 1225 CB GLU A 77 5.646 21.139 2.305 1.00 0.00 C ATOM 1226 CG GLU A 77 6.164 22.557 2.592 1.00 0.00 C ATOM 1227 CD GLU A 77 7.459 22.959 1.901 1.00 0.00 C ATOM 1228 OE1 GLU A 77 8.407 22.142 1.851 1.00 0.00 O ATOM 1229 OE2 GLU A 77 7.535 24.096 1.394 1.00 0.00 O ATOM 0 H GLU A 77 5.298 18.869 1.413 1.00 0.00 H new ATOM 0 HA GLU A 77 3.928 21.519 1.104 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.032 20.832 3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.506 20.470 2.277 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.389 23.268 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.306 22.657 3.668 1.00 0.00 H new ATOM 1236 N ASN A 78 6.659 21.083 -0.621 1.00 0.00 N ATOM 1237 CA ASN A 78 7.316 21.359 -1.928 1.00 0.00 C ATOM 1238 C ASN A 78 7.486 20.000 -2.660 1.00 0.00 C ATOM 1239 O ASN A 78 6.701 19.684 -3.562 1.00 0.00 O ATOM 1240 CB ASN A 78 8.585 22.187 -1.645 1.00 0.00 C ATOM 1241 CG ASN A 78 9.293 22.699 -2.886 1.00 0.00 C ATOM 1242 OD1 ASN A 78 10.049 21.987 -3.538 1.00 0.00 O ATOM 1243 ND2 ASN A 78 9.080 23.936 -3.266 1.00 0.00 N ATOM 0 H ASN A 78 7.268 20.607 0.044 1.00 0.00 H new ATOM 0 HA ASN A 78 6.740 21.973 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.316 23.038 -1.019 1.00 0.00 H new ATOM 0 HB3 ASN A 78 9.282 21.576 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 78 9.542 24.300 -4.099 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.452 24.534 -2.728 1.00 0.00 H new ATOM 1250 N GLU A 79 8.411 19.138 -2.204 1.00 0.00 N ATOM 1251 CA GLU A 79 8.162 17.673 -2.200 1.00 0.00 C ATOM 1252 C GLU A 79 8.474 16.885 -0.890 1.00 0.00 C ATOM 1253 O GLU A 79 8.385 15.654 -0.906 1.00 0.00 O ATOM 1254 CB GLU A 79 8.692 17.008 -3.474 1.00 0.00 C ATOM 1255 CG GLU A 79 10.194 16.849 -3.718 1.00 0.00 C ATOM 1256 CD GLU A 79 10.433 15.892 -4.885 1.00 0.00 C ATOM 1257 OE1 GLU A 79 10.006 16.187 -6.018 1.00 0.00 O ATOM 1258 OE2 GLU A 79 10.998 14.798 -4.652 1.00 0.00 O ATOM 0 H GLU A 79 9.322 19.415 -1.839 1.00 0.00 H new ATOM 0 HA GLU A 79 7.074 17.602 -2.208 1.00 0.00 H new ATOM 0 HB2 GLU A 79 8.255 16.010 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.290 17.570 -4.317 1.00 0.00 H new ATOM 0 HG2 GLU A 79 10.641 17.819 -3.935 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.679 16.468 -2.819 1.00 0.00 H new ATOM 1265 N GLN A 80 8.718 17.549 0.255 1.00 0.00 N ATOM 1266 CA GLN A 80 8.834 16.853 1.562 1.00 0.00 C ATOM 1267 C GLN A 80 7.459 16.378 2.102 1.00 0.00 C ATOM 1268 O GLN A 80 6.451 17.089 2.000 1.00 0.00 O ATOM 1269 CB GLN A 80 9.637 17.694 2.579 1.00 0.00 C ATOM 1270 CG GLN A 80 8.992 19.005 3.067 1.00 0.00 C ATOM 1271 CD GLN A 80 9.865 19.795 4.036 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.398 19.280 5.014 1.00 0.00 O ATOM 1273 NE2 GLN A 80 10.019 21.080 3.828 1.00 0.00 N ATOM 0 H GLN A 80 8.839 18.560 0.308 1.00 0.00 H new ATOM 0 HA GLN A 80 9.408 15.941 1.399 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.838 17.071 3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.601 17.937 2.132 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.765 19.631 2.204 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.044 18.774 3.552 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.582 21.522 3.019 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.576 21.638 4.475 1.00 0.00 H new ATOM 1282 N VAL A 81 7.425 15.155 2.644 1.00 0.00 N ATOM 1283 CA VAL A 81 6.145 14.472 2.972 1.00 0.00 C ATOM 1284 C VAL A 81 5.594 14.966 4.351 1.00 0.00 C ATOM 1285 O VAL A 81 6.293 14.938 5.368 1.00 0.00 O ATOM 1286 CB VAL A 81 6.248 12.911 2.958 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.837 12.294 2.840 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.141 12.292 1.871 1.00 0.00 C ATOM 0 H VAL A 81 8.258 14.611 2.868 1.00 0.00 H new ATOM 0 HA VAL A 81 5.447 14.743 2.180 1.00 0.00 H new ATOM 0 HB VAL A 81 6.734 12.672 3.904 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.915 11.207 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.231 12.607 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.368 12.632 1.916 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.130 11.206 1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.765 12.574 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.162 12.656 1.988 1.00 0.00 H new ATOM 1298 N VAL A 82 4.333 15.405 4.347 1.00 0.00 N ATOM 1299 CA VAL A 82 3.697 16.081 5.514 1.00 0.00 C ATOM 1300 C VAL A 82 2.906 15.041 6.361 1.00 0.00 C ATOM 1301 O VAL A 82 3.293 14.782 7.501 1.00 0.00 O ATOM 1302 CB VAL A 82 2.873 17.311 5.005 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.044 18.019 6.094 1.00 0.00 C ATOM 1304 CG2 VAL A 82 3.783 18.390 4.363 1.00 0.00 C ATOM 0 H VAL A 82 3.713 15.309 3.543 1.00 0.00 H new ATOM 0 HA VAL A 82 4.438 16.490 6.201 1.00 0.00 H new ATOM 0 HB VAL A 82 2.193 16.874 4.274 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.506 18.858 5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.331 17.315 6.523 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.708 18.385 6.877 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.172 19.226 4.023 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.504 18.744 5.100 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.314 17.960 3.514 1.00 0.00 H new ATOM 1314 N ARG A 83 1.811 14.465 5.825 1.00 0.00 N ATOM 1315 CA ARG A 83 1.006 13.435 6.538 1.00 0.00 C ATOM 1316 C ARG A 83 0.160 12.582 5.545 1.00 0.00 C ATOM 1317 O ARG A 83 -0.325 13.082 4.521 1.00 0.00 O ATOM 1318 CB ARG A 83 0.174 14.032 7.708 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.879 15.114 7.404 1.00 0.00 C ATOM 1320 CD ARG A 83 -2.343 14.647 7.408 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.634 13.840 6.205 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.770 13.216 5.942 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -4.821 13.260 6.717 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.835 12.516 4.853 1.00 0.00 N ATOM 0 H ARG A 83 1.457 14.693 4.896 1.00 0.00 H new ATOM 0 HA ARG A 83 1.706 12.747 7.011 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.337 13.206 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.876 14.450 8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.771 15.914 8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.658 15.544 6.427 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.540 14.058 8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.006 15.511 7.442 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.889 13.756 5.513 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.794 13.799 7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -5.668 12.755 6.456 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.027 12.461 4.233 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.694 12.020 4.616 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.089 11.318 5.901 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.790 10.335 5.038 1.00 0.00 C ATOM 1340 C TRP A 84 -1.947 9.570 5.751 1.00 0.00 C ATOM 1341 O TRP A 84 -1.850 9.230 6.933 1.00 0.00 O ATOM 1342 CB TRP A 84 0.218 9.333 4.428 1.00 0.00 C ATOM 1343 CG TRP A 84 1.177 8.548 5.365 1.00 0.00 C ATOM 1344 CD1 TRP A 84 0.872 7.395 6.130 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.537 8.784 5.600 1.00 0.00 C ATOM 1346 NE1 TRP A 84 1.986 6.931 6.847 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.007 7.794 6.500 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.441 9.763 5.080 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.387 7.774 6.878 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.775 9.722 5.470 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.244 8.737 6.356 1.00 0.00 C ATOM 0 H TRP A 84 0.189 10.935 6.804 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.259 10.920 4.247 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.354 8.601 3.858 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.834 9.882 3.716 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -0.102 6.929 6.158 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.031 6.134 7.482 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.093 10.522 4.395 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.758 7.022 7.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.463 10.460 5.085 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.287 8.728 6.636 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.992 9.225 4.981 1.00 0.00 N ATOM 1363 CA GLU A 85 -3.935 8.136 5.353 1.00 0.00 C ATOM 1364 C GLU A 85 -4.410 7.327 4.104 1.00 0.00 C ATOM 1365 O GLU A 85 -4.536 7.850 2.990 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.072 8.576 6.306 1.00 0.00 C ATOM 1367 CG GLU A 85 -6.366 9.164 5.735 1.00 0.00 C ATOM 1368 CD GLU A 85 -6.366 10.647 5.469 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -5.972 11.073 4.366 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -6.700 11.431 6.382 1.00 0.00 O ATOM 0 H GLU A 85 -3.212 9.680 4.095 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.365 7.435 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.347 7.708 6.905 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.654 9.315 6.990 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.593 8.649 4.801 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.178 8.941 6.427 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.714 6.040 4.321 1.00 0.00 N ATOM 1378 CA GLY A 86 -5.428 5.227 3.322 1.00 0.00 C ATOM 1379 C GLY A 86 -5.430 3.703 3.522 1.00 0.00 C ATOM 1380 O GLY A 86 -4.780 3.141 4.409 1.00 0.00 O ATOM 0 H GLY A 86 -4.478 5.539 5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.464 5.564 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.995 5.438 2.344 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.170 3.063 2.615 1.00 0.00 N ATOM 1385 CA ASP A 87 -6.150 1.592 2.403 1.00 0.00 C ATOM 1386 C ASP A 87 -5.491 1.260 1.023 1.00 0.00 C ATOM 1387 O ASP A 87 -5.176 2.146 0.216 1.00 0.00 O ATOM 1388 CB ASP A 87 -7.563 1.010 2.624 1.00 0.00 C ATOM 1389 CG ASP A 87 -8.624 1.308 1.576 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -9.284 2.365 1.653 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -8.785 0.493 0.643 1.00 0.00 O ATOM 0 H ASP A 87 -6.814 3.549 1.991 1.00 0.00 H new ATOM 0 HA ASP A 87 -5.521 1.095 3.142 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.470 -0.073 2.708 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.929 1.374 3.584 1.00 0.00 H new ATOM 1396 N TYR A 88 -5.180 -0.019 0.774 1.00 0.00 N ATOM 1397 CA TYR A 88 -4.286 -0.397 -0.358 1.00 0.00 C ATOM 1398 C TYR A 88 -4.402 -1.913 -0.743 1.00 0.00 C ATOM 1399 O TYR A 88 -4.971 -2.737 -0.022 1.00 0.00 O ATOM 1400 CB TYR A 88 -2.825 0.006 0.025 1.00 0.00 C ATOM 1401 CG TYR A 88 -2.091 0.859 -1.020 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -1.446 0.259 -2.110 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -1.904 2.236 -0.805 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -0.605 1.006 -2.934 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.055 2.979 -1.630 1.00 0.00 C ATOM 1406 CZ TYR A 88 -0.400 2.360 -2.690 1.00 0.00 C ATOM 1407 OH TYR A 88 0.549 3.017 -3.411 1.00 0.00 O ATOM 0 H TYR A 88 -5.522 -0.807 1.324 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.595 0.141 -1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.851 0.555 0.966 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.248 -0.902 0.201 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -1.602 -0.790 -2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.422 2.725 0.007 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -0.109 0.530 -3.767 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.908 4.033 -1.445 1.00 0.00 H new ATOM 0 HH TYR A 88 1.197 2.372 -3.763 1.00 0.00 H new ATOM 1667 N GLY A 105 -2.212 -9.984 -28.071 1.00 0.00 N ATOM 1668 CA GLY A 105 -3.236 -10.854 -28.699 1.00 0.00 C ATOM 1669 C GLY A 105 -3.263 -10.835 -30.235 1.00 0.00 C ATOM 1670 O GLY A 105 -4.164 -10.244 -30.835 1.00 0.00 O ATOM 0 HA2 GLY A 105 -3.070 -11.879 -28.368 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -4.218 -10.555 -28.331 1.00 0.00 H new ATOM 1674 N ARG A 106 -2.298 -11.527 -30.855 1.00 0.00 N ATOM 1675 CA ARG A 106 -2.136 -11.543 -32.337 1.00 0.00 C ATOM 1676 C ARG A 106 -3.098 -12.554 -33.038 1.00 0.00 C ATOM 1677 O ARG A 106 -2.706 -13.640 -33.480 1.00 0.00 O ATOM 1678 CB ARG A 106 -0.622 -11.778 -32.592 1.00 0.00 C ATOM 1679 CG ARG A 106 -0.191 -11.796 -34.077 1.00 0.00 C ATOM 1680 CD ARG A 106 0.451 -13.134 -34.487 1.00 0.00 C ATOM 1681 NE ARG A 106 0.423 -13.319 -35.962 1.00 0.00 N ATOM 1682 CZ ARG A 106 -0.556 -13.919 -36.638 1.00 0.00 C ATOM 1683 NH1 ARG A 106 -1.644 -14.389 -36.086 1.00 0.00 N ATOM 1684 NH2 ARG A 106 -0.445 -14.044 -37.927 1.00 0.00 N ATOM 0 H ARG A 106 -1.607 -12.091 -30.360 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.436 -10.599 -32.793 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -0.060 -10.998 -32.078 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.338 -12.727 -32.138 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.060 -11.605 -34.707 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.517 -10.987 -34.257 1.00 0.00 H new ATOM 0 HD2 ARG A 106 1.482 -13.168 -34.134 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -0.078 -13.956 -34.005 1.00 0.00 H new ATOM 0 HE ARG A 106 1.213 -12.959 -36.497 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.781 -14.307 -35.079 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -2.356 -14.838 -36.663 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.382 -13.686 -38.405 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.185 -14.501 -38.461 1.00 0.00 H new ATOM 1698 N ASN A 107 -4.363 -12.133 -33.173 1.00 0.00 N ATOM 1699 CA ASN A 107 -5.455 -12.986 -33.709 1.00 0.00 C ATOM 1700 C ASN A 107 -5.683 -12.691 -35.227 1.00 0.00 C ATOM 1701 O ASN A 107 -6.473 -11.823 -35.607 1.00 0.00 O ATOM 1702 CB ASN A 107 -6.746 -12.741 -32.882 1.00 0.00 C ATOM 1703 CG ASN A 107 -6.716 -13.323 -31.474 1.00 0.00 C ATOM 1704 OD1 ASN A 107 -6.836 -14.525 -31.275 1.00 0.00 O ATOM 1705 ND2 ASN A 107 -6.561 -12.513 -30.455 1.00 0.00 N ATOM 0 H ASN A 107 -4.667 -11.194 -32.917 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.178 -14.037 -33.620 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -6.920 -11.667 -32.814 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.593 -13.168 -33.420 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -6.541 -12.886 -29.506 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.460 -11.510 -30.611 1.00 0.00 H new ATOM 1712 N LEU A 108 -4.953 -13.421 -36.083 1.00 0.00 N ATOM 1713 CA LEU A 108 -5.011 -13.249 -37.562 1.00 0.00 C ATOM 1714 C LEU A 108 -4.581 -14.589 -38.220 1.00 0.00 C ATOM 1715 O LEU A 108 -3.396 -14.949 -38.191 1.00 0.00 O ATOM 1716 CB LEU A 108 -4.135 -12.034 -37.976 1.00 0.00 C ATOM 1717 CG LEU A 108 -4.305 -11.521 -39.425 1.00 0.00 C ATOM 1718 CD1 LEU A 108 -3.823 -10.056 -39.508 1.00 0.00 C ATOM 1719 CD2 LEU A 108 -3.522 -12.330 -40.464 1.00 0.00 C ATOM 0 H LEU A 108 -4.304 -14.148 -35.782 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.020 -13.024 -37.909 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.351 -11.210 -37.295 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.089 -12.303 -37.830 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.365 -11.622 -39.658 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.941 -9.691 -40.528 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -4.415 -9.439 -38.831 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.772 -10.002 -39.223 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.692 -11.910 -41.455 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.458 -12.290 -40.230 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.858 -13.367 -40.447 1.00 0.00 H new ATOM 1731 N ALA A 109 -5.535 -15.316 -38.818 1.00 0.00 N ATOM 1732 CA ALA A 109 -5.246 -16.590 -39.526 1.00 0.00 C ATOM 1733 C ALA A 109 -4.620 -16.431 -40.945 1.00 0.00 C ATOM 1734 O ALA A 109 -3.556 -16.999 -41.195 1.00 0.00 O ATOM 1735 CB ALA A 109 -6.549 -17.405 -39.534 1.00 0.00 C ATOM 0 H ALA A 109 -6.520 -15.050 -38.830 1.00 0.00 H new ATOM 0 HA ALA A 109 -4.459 -17.117 -38.987 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -6.382 -18.353 -40.046 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -6.864 -17.597 -38.508 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -7.326 -16.844 -40.053 1.00 0.00 H new ATOM 1741 N ARG A 110 -5.261 -15.675 -41.852 1.00 0.00 N ATOM 1742 CA ARG A 110 -4.704 -15.360 -43.193 1.00 0.00 C ATOM 1743 C ARG A 110 -4.990 -13.881 -43.597 1.00 0.00 C ATOM 1744 O ARG A 110 -5.850 -13.198 -43.029 1.00 0.00 O ATOM 1745 CB ARG A 110 -5.135 -16.430 -44.229 1.00 0.00 C ATOM 1746 CG ARG A 110 -6.621 -16.590 -44.603 1.00 0.00 C ATOM 1747 CD ARG A 110 -7.166 -15.460 -45.482 1.00 0.00 C ATOM 1748 NE ARG A 110 -8.508 -15.800 -46.010 1.00 0.00 N ATOM 1749 CZ ARG A 110 -9.233 -15.007 -46.794 1.00 0.00 C ATOM 1750 NH1 ARG A 110 -8.848 -13.818 -47.193 1.00 0.00 N ATOM 1751 NH2 ARG A 110 -10.395 -15.437 -47.191 1.00 0.00 N ATOM 0 H ARG A 110 -6.178 -15.262 -41.684 1.00 0.00 H new ATOM 0 HA ARG A 110 -3.616 -15.420 -43.161 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -4.590 -16.226 -45.150 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -4.788 -17.395 -43.860 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.754 -17.538 -45.124 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.212 -16.643 -43.689 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.222 -14.538 -44.903 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -6.481 -15.276 -46.310 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.903 -16.705 -45.755 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -7.942 -13.451 -46.901 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -9.454 -13.261 -47.795 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -10.725 -16.357 -46.900 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.976 -14.854 -47.793 1.00 0.00 H new ATOM 1765 N ASP A 111 -4.270 -13.405 -44.615 1.00 0.00 N ATOM 1766 CA ASP A 111 -4.388 -12.018 -45.123 1.00 0.00 C ATOM 1767 C ASP A 111 -5.681 -11.692 -45.945 1.00 0.00 C ATOM 1768 O ASP A 111 -6.410 -12.567 -46.429 1.00 0.00 O ATOM 1769 CB ASP A 111 -3.081 -11.699 -45.906 1.00 0.00 C ATOM 1770 CG ASP A 111 -2.927 -12.351 -47.273 1.00 0.00 C ATOM 1771 OD1 ASP A 111 -3.418 -11.783 -48.272 1.00 0.00 O ATOM 1772 OD2 ASP A 111 -2.301 -13.430 -47.360 1.00 0.00 O ATOM 0 H ASP A 111 -3.583 -13.966 -45.119 1.00 0.00 H new ATOM 0 HA ASP A 111 -4.506 -11.360 -44.262 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -3.017 -10.619 -46.035 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -2.233 -11.997 -45.289 1.00 0.00 H new ATOM 1777 N LYS A 112 -5.892 -10.388 -46.171 1.00 0.00 N ATOM 1778 CA LYS A 112 -6.596 -9.911 -47.401 1.00 0.00 C ATOM 1779 C LYS A 112 -5.747 -8.794 -48.090 1.00 0.00 C ATOM 1780 O LYS A 112 -6.153 -7.632 -48.174 1.00 0.00 O ATOM 1781 CB LYS A 112 -8.037 -9.524 -47.000 1.00 0.00 C ATOM 1782 CG LYS A 112 -9.095 -9.485 -48.116 1.00 0.00 C ATOM 1783 CD LYS A 112 -9.054 -8.332 -49.128 1.00 0.00 C ATOM 1784 CE LYS A 112 -9.307 -6.946 -48.517 1.00 0.00 C ATOM 1785 NZ LYS A 112 -9.252 -5.911 -49.586 1.00 0.00 N ATOM 0 H LYS A 112 -5.596 -9.644 -45.538 1.00 0.00 H new ATOM 0 HA LYS A 112 -6.693 -10.682 -48.166 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -8.375 -10.227 -46.239 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -8.004 -8.540 -46.532 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -9.021 -10.418 -48.674 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -10.076 -9.474 -47.641 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.080 -8.328 -49.618 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.799 -8.517 -49.902 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.280 -6.926 -48.027 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.560 -6.733 -47.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.424 -4.973 -49.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -8.314 -5.925 -50.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -9.980 -6.111 -50.301 1.00 0.00 H new