USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=12 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 56 THR OG1 : rot -93:sc= 1.2 USER MOD Set 1.2: A 71 ASN : amide:sc= 1.65 K(o=2.9,f=-3.2) USER MOD Set 2.1: A 49 HIS : no HE2:sc= 0.00849 K(o=0.026,f=-0.76) USER MOD Set 2.2: A 51 GLN : amide:sc= 0.0175 K(o=0.026,f=-1) USER MOD Set 3.1: A 36 SER OG : rot -50:sc= 1.99 USER MOD Set 3.2: A 43 SER OG : rot -68:sc= 0.097 USER MOD Set 4.1: A 33 GLN : amide:sc= 1.59 K(o=2.8,f=-10!) USER MOD Set 4.2: A 112 LYS NZ :NH3+ -161:sc= 1.25 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0.848 K(o=0.85,f=0) USER MOD Single : A 21 ASN : amide:sc= 0.283 X(o=0.28,f=-0.017) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc=-0.000601 X(o=-0.0006,f=-0.0006) USER MOD Single : A 30 GLN : amide:sc= 0.074 X(o=0.074,f=0) USER MOD Single : A 31 SER OG : rot 66:sc= 0.918 USER MOD Single : A 32 LYS NZ :NH3+ -169:sc= 2.38 (180deg=2.19) USER MOD Single : A 34 GLN : amide:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 41 THR OG1 : rot -5:sc= 1.02 USER MOD Single : A 55 TYR OH : rot 26:sc= 1.11 USER MOD Single : A 70 LYS NZ :NH3+ -162:sc= -0.602 (180deg=-0.627) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0.486 K(o=0.49,f=-0.017) USER MOD Single : A 80 GLN : amide:sc= 1.1 K(o=1.1,f=0) USER MOD Single : A 88 TYR OH : rot -120:sc= -0.05 USER MOD Single : A 107 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 264 N ILE A 18 3.063 -1.649 0.102 1.00 0.00 N ATOM 265 CA ILE A 18 1.662 -1.411 0.585 1.00 0.00 C ATOM 266 C ILE A 18 1.277 -2.445 1.691 1.00 0.00 C ATOM 267 O ILE A 18 1.014 -3.615 1.401 1.00 0.00 O ATOM 268 CB ILE A 18 0.699 -1.392 -0.657 1.00 0.00 C ATOM 269 CG1 ILE A 18 0.839 -0.048 -1.430 1.00 0.00 C ATOM 270 CG2 ILE A 18 -0.786 -1.694 -0.374 1.00 0.00 C ATOM 271 CD1 ILE A 18 0.149 1.175 -0.834 1.00 0.00 C ATOM 0 HA ILE A 18 1.573 -0.439 1.071 1.00 0.00 H new ATOM 0 HB ILE A 18 1.033 -2.231 -1.268 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.901 0.177 -1.526 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.452 -0.196 -2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.350 -1.652 -1.306 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.878 -2.689 0.062 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -1.181 -0.955 0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.327 2.040 -1.472 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.923 0.990 -0.765 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.549 1.369 0.161 1.00 0.00 H new ATOM 283 N LYS A 19 1.164 -1.945 2.931 1.00 0.00 N ATOM 284 CA LYS A 19 0.256 -2.474 3.984 1.00 0.00 C ATOM 285 C LYS A 19 0.224 -1.476 5.181 1.00 0.00 C ATOM 286 O LYS A 19 1.256 -0.914 5.557 1.00 0.00 O ATOM 287 CB LYS A 19 0.482 -3.926 4.429 1.00 0.00 C ATOM 288 CG LYS A 19 1.752 -4.251 5.223 1.00 0.00 C ATOM 289 CD LYS A 19 1.839 -5.775 5.434 1.00 0.00 C ATOM 290 CE LYS A 19 2.981 -6.207 6.356 1.00 0.00 C ATOM 291 NZ LYS A 19 3.169 -7.675 6.199 1.00 0.00 N ATOM 0 H LYS A 19 1.710 -1.143 3.246 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.727 -2.541 3.517 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.374 -4.226 5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.478 -4.552 3.537 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.632 -3.895 4.687 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.735 -3.739 6.185 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.896 -6.129 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 19 1.963 -6.260 4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.898 -5.676 6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.748 -5.961 7.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.942 -7.994 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.291 -8.167 6.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.406 -7.891 5.210 1.00 0.00 H new ATOM 305 N GLN A 20 -0.957 -1.263 5.776 1.00 0.00 N ATOM 306 CA GLN A 20 -1.214 -0.084 6.664 1.00 0.00 C ATOM 307 C GLN A 20 -0.245 0.124 7.874 1.00 0.00 C ATOM 308 O GLN A 20 0.247 1.237 8.060 1.00 0.00 O ATOM 309 CB GLN A 20 -2.712 -0.141 7.055 1.00 0.00 C ATOM 310 CG GLN A 20 -3.279 1.186 7.608 1.00 0.00 C ATOM 311 CD GLN A 20 -4.751 1.074 7.996 1.00 0.00 C ATOM 312 OE1 GLN A 20 -5.098 0.575 9.061 1.00 0.00 O ATOM 313 NE2 GLN A 20 -5.665 1.521 7.169 1.00 0.00 N ATOM 0 H GLN A 20 -1.760 -1.883 5.669 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.984 0.819 6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.292 -0.433 6.180 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.850 -0.921 7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.699 1.491 8.479 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.162 1.968 6.858 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -5.388 1.938 6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.653 1.452 7.414 1.00 0.00 H new ATOM 322 N ASN A 21 0.078 -0.943 8.620 1.00 0.00 N ATOM 323 CA ASN A 21 1.113 -0.899 9.702 1.00 0.00 C ATOM 324 C ASN A 21 2.616 -0.868 9.238 1.00 0.00 C ATOM 325 O ASN A 21 3.472 -0.428 10.011 1.00 0.00 O ATOM 326 CB ASN A 21 0.769 -2.078 10.642 1.00 0.00 C ATOM 327 CG ASN A 21 1.581 -2.240 11.916 1.00 0.00 C ATOM 328 OD1 ASN A 21 2.390 -3.156 12.042 1.00 0.00 O ATOM 329 ND2 ASN A 21 1.432 -1.393 12.905 1.00 0.00 N ATOM 0 H ASN A 21 -0.357 -1.858 8.504 1.00 0.00 H new ATOM 0 HA ASN A 21 1.061 0.063 10.212 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.279 -1.983 10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.862 -3.000 10.068 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.982 -1.502 13.757 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.766 -0.625 12.823 1.00 0.00 H new ATOM 336 N ALA A 22 2.950 -1.325 8.023 1.00 0.00 N ATOM 337 CA ALA A 22 4.274 -1.054 7.398 1.00 0.00 C ATOM 338 C ALA A 22 4.428 0.341 6.716 1.00 0.00 C ATOM 339 O ALA A 22 5.489 0.952 6.848 1.00 0.00 O ATOM 340 CB ALA A 22 4.537 -2.192 6.414 1.00 0.00 C ATOM 0 H ALA A 22 2.326 -1.887 7.443 1.00 0.00 H new ATOM 0 HA ALA A 22 5.018 -1.014 8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.500 -2.038 5.928 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.549 -3.141 6.950 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.750 -2.211 5.660 1.00 0.00 H new ATOM 346 N VAL A 23 3.386 0.864 6.053 1.00 0.00 N ATOM 347 CA VAL A 23 3.330 2.290 5.600 1.00 0.00 C ATOM 348 C VAL A 23 3.326 3.334 6.772 1.00 0.00 C ATOM 349 O VAL A 23 3.994 4.359 6.664 1.00 0.00 O ATOM 350 CB VAL A 23 2.163 2.472 4.576 1.00 0.00 C ATOM 351 CG1 VAL A 23 1.995 3.926 4.089 1.00 0.00 C ATOM 352 CG2 VAL A 23 2.408 1.613 3.309 1.00 0.00 C ATOM 0 H VAL A 23 2.555 0.326 5.809 1.00 0.00 H new ATOM 0 HA VAL A 23 4.263 2.514 5.083 1.00 0.00 H new ATOM 0 HB VAL A 23 1.266 2.165 5.115 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.168 3.979 3.381 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.786 4.573 4.941 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.912 4.254 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.584 1.754 2.609 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.342 1.919 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.470 0.561 3.589 1.00 0.00 H new ATOM 362 N GLU A 24 2.654 3.061 7.894 1.00 0.00 N ATOM 363 CA GLU A 24 2.942 3.724 9.205 1.00 0.00 C ATOM 364 C GLU A 24 4.444 3.710 9.662 1.00 0.00 C ATOM 365 O GLU A 24 4.982 4.754 10.034 1.00 0.00 O ATOM 366 CB GLU A 24 1.985 3.010 10.187 1.00 0.00 C ATOM 367 CG GLU A 24 2.001 3.441 11.659 1.00 0.00 C ATOM 368 CD GLU A 24 1.085 2.574 12.527 1.00 0.00 C ATOM 369 OE1 GLU A 24 1.203 1.328 12.491 1.00 0.00 O ATOM 370 OE2 GLU A 24 0.255 3.143 13.263 1.00 0.00 O ATOM 0 H GLU A 24 1.896 2.380 7.938 1.00 0.00 H new ATOM 0 HA GLU A 24 2.771 4.799 9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.969 3.138 9.814 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.206 1.943 10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.020 3.385 12.041 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.690 4.483 11.734 1.00 0.00 H new ATOM 377 N GLN A 25 5.104 2.543 9.600 1.00 0.00 N ATOM 378 CA GLN A 25 6.554 2.400 9.908 1.00 0.00 C ATOM 379 C GLN A 25 7.571 3.028 8.911 1.00 0.00 C ATOM 380 O GLN A 25 8.648 3.410 9.377 1.00 0.00 O ATOM 381 CB GLN A 25 6.776 0.886 10.167 1.00 0.00 C ATOM 382 CG GLN A 25 8.212 0.408 10.466 1.00 0.00 C ATOM 383 CD GLN A 25 8.941 -0.171 9.256 1.00 0.00 C ATOM 384 OE1 GLN A 25 8.656 -1.275 8.799 1.00 0.00 O ATOM 385 NE2 GLN A 25 9.880 0.538 8.685 1.00 0.00 N ATOM 0 H GLN A 25 4.656 1.666 9.336 1.00 0.00 H new ATOM 0 HA GLN A 25 6.781 3.011 10.781 1.00 0.00 H new ATOM 0 HB2 GLN A 25 6.145 0.594 11.006 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.417 0.341 9.294 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.788 1.246 10.857 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.176 -0.348 11.251 1.00 0.00 H new ATOM 0 HE21 GLN A 25 10.124 1.456 9.057 1.00 0.00 H new ATOM 0 HE22 GLN A 25 10.369 0.173 7.867 1.00 0.00 H new ATOM 394 N LEU A 26 7.306 3.104 7.591 1.00 0.00 N ATOM 395 CA LEU A 26 8.329 3.565 6.599 1.00 0.00 C ATOM 396 C LEU A 26 9.018 4.950 6.789 1.00 0.00 C ATOM 397 O LEU A 26 10.181 5.080 6.403 1.00 0.00 O ATOM 398 CB LEU A 26 7.882 3.284 5.143 1.00 0.00 C ATOM 399 CG LEU A 26 6.655 3.994 4.554 1.00 0.00 C ATOM 400 CD1 LEU A 26 6.838 5.463 4.175 1.00 0.00 C ATOM 401 CD2 LEU A 26 6.205 3.241 3.283 1.00 0.00 C ATOM 0 H LEU A 26 6.406 2.858 7.179 1.00 0.00 H new ATOM 0 HA LEU A 26 9.176 2.926 6.848 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.729 3.515 4.496 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.703 2.212 5.063 1.00 0.00 H new ATOM 0 HG LEU A 26 5.920 3.981 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.904 5.854 3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.118 6.035 5.060 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.623 5.550 3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.333 3.737 2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.016 3.240 2.554 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.948 2.214 3.541 1.00 0.00 H new ATOM 413 N GLN A 27 8.329 5.943 7.382 1.00 0.00 N ATOM 414 CA GLN A 27 8.930 7.253 7.792 1.00 0.00 C ATOM 415 C GLN A 27 9.756 8.039 6.720 1.00 0.00 C ATOM 416 O GLN A 27 10.851 8.541 6.984 1.00 0.00 O ATOM 417 CB GLN A 27 9.609 7.045 9.170 1.00 0.00 C ATOM 418 CG GLN A 27 10.019 8.299 9.966 1.00 0.00 C ATOM 419 CD GLN A 27 8.899 9.260 10.328 1.00 0.00 C ATOM 420 OE1 GLN A 27 8.162 9.069 11.288 1.00 0.00 O ATOM 421 NE2 GLN A 27 8.727 10.327 9.584 1.00 0.00 N ATOM 0 H GLN A 27 7.334 5.872 7.597 1.00 0.00 H new ATOM 0 HA GLN A 27 8.122 7.977 7.892 1.00 0.00 H new ATOM 0 HB2 GLN A 27 8.932 6.460 9.792 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.502 6.440 9.015 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.505 7.976 10.887 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.764 8.844 9.387 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.336 10.494 8.783 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.984 10.990 9.807 1.00 0.00 H new ATOM 430 N VAL A 28 9.184 8.193 5.519 1.00 0.00 N ATOM 431 CA VAL A 28 9.816 8.956 4.406 1.00 0.00 C ATOM 432 C VAL A 28 9.271 10.421 4.444 1.00 0.00 C ATOM 433 O VAL A 28 8.065 10.636 4.322 1.00 0.00 O ATOM 434 CB VAL A 28 9.537 8.246 3.035 1.00 0.00 C ATOM 435 CG1 VAL A 28 10.057 9.055 1.821 1.00 0.00 C ATOM 436 CG2 VAL A 28 10.199 6.849 2.948 1.00 0.00 C ATOM 0 H VAL A 28 8.274 7.799 5.280 1.00 0.00 H new ATOM 0 HA VAL A 28 10.899 8.987 4.523 1.00 0.00 H new ATOM 0 HB VAL A 28 8.451 8.162 2.996 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.835 8.514 0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.568 10.029 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 28 11.135 9.193 1.910 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.976 6.400 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 28 11.278 6.950 3.061 1.00 0.00 H new ATOM 0 HG23 VAL A 28 9.810 6.212 3.742 1.00 0.00 H new ATOM 446 N GLY A 29 10.175 11.402 4.565 1.00 0.00 N ATOM 447 CA GLY A 29 9.820 12.844 4.498 1.00 0.00 C ATOM 448 C GLY A 29 10.647 13.675 3.501 1.00 0.00 C ATOM 449 O GLY A 29 11.145 14.739 3.866 1.00 0.00 O ATOM 0 H GLY A 29 11.170 11.230 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.766 12.931 4.233 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.936 13.277 5.492 1.00 0.00 H new ATOM 453 N GLN A 30 10.775 13.195 2.252 1.00 0.00 N ATOM 454 CA GLN A 30 11.778 13.727 1.289 1.00 0.00 C ATOM 455 C GLN A 30 11.252 13.963 -0.156 1.00 0.00 C ATOM 456 O GLN A 30 11.592 15.009 -0.716 1.00 0.00 O ATOM 457 CB GLN A 30 13.017 12.790 1.330 1.00 0.00 C ATOM 458 CG GLN A 30 14.233 13.197 0.473 1.00 0.00 C ATOM 459 CD GLN A 30 14.910 14.508 0.838 1.00 0.00 C ATOM 460 OE1 GLN A 30 15.819 14.562 1.658 1.00 0.00 O ATOM 461 NE2 GLN A 30 14.509 15.609 0.245 1.00 0.00 N ATOM 0 H GLN A 30 10.201 12.440 1.878 1.00 0.00 H new ATOM 0 HA GLN A 30 12.045 14.735 1.607 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.345 12.708 2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.700 11.795 1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 30 14.975 12.401 0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.913 13.256 -0.567 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.753 15.574 -0.439 1.00 0.00 H new ATOM 0 HE22 GLN A 30 14.954 16.499 0.468 1.00 0.00 H new ATOM 470 N SER A 31 10.533 13.013 -0.786 1.00 0.00 N ATOM 471 CA SER A 31 10.151 13.129 -2.219 1.00 0.00 C ATOM 472 C SER A 31 8.808 12.431 -2.551 1.00 0.00 C ATOM 473 O SER A 31 8.601 11.255 -2.232 1.00 0.00 O ATOM 474 CB SER A 31 11.305 12.616 -3.117 1.00 0.00 C ATOM 475 OG SER A 31 10.973 12.662 -4.506 1.00 0.00 O ATOM 0 H SER A 31 10.204 12.160 -0.334 1.00 0.00 H new ATOM 0 HA SER A 31 9.985 14.186 -2.428 1.00 0.00 H new ATOM 0 HB2 SER A 31 12.196 13.218 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.551 11.591 -2.838 1.00 0.00 H new ATOM 0 HG SER A 31 10.874 13.595 -4.788 1.00 0.00 H new ATOM 481 N LYS A 32 7.936 13.161 -3.269 1.00 0.00 N ATOM 482 CA LYS A 32 6.646 12.635 -3.766 1.00 0.00 C ATOM 483 C LYS A 32 6.738 11.520 -4.839 1.00 0.00 C ATOM 484 O LYS A 32 6.132 10.462 -4.682 1.00 0.00 O ATOM 485 CB LYS A 32 5.674 13.773 -4.140 1.00 0.00 C ATOM 486 CG LYS A 32 5.940 14.662 -5.366 1.00 0.00 C ATOM 487 CD LYS A 32 4.630 15.149 -6.023 1.00 0.00 C ATOM 488 CE LYS A 32 3.816 16.103 -5.148 1.00 0.00 C ATOM 489 NZ LYS A 32 2.443 16.260 -5.691 1.00 0.00 N ATOM 0 H LYS A 32 8.104 14.135 -3.523 1.00 0.00 H new ATOM 0 HA LYS A 32 6.218 12.104 -2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.691 13.323 -4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.604 14.432 -3.275 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.537 15.523 -5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.527 14.106 -6.097 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.870 15.648 -6.962 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.015 14.284 -6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.769 15.721 -4.128 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.309 17.074 -5.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.964 17.044 -5.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.494 16.465 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.908 15.381 -5.541 1.00 0.00 H new ATOM 503 N GLN A 33 7.536 11.750 -5.884 1.00 0.00 N ATOM 504 CA GLN A 33 7.870 10.733 -6.908 1.00 0.00 C ATOM 505 C GLN A 33 8.643 9.463 -6.453 1.00 0.00 C ATOM 506 O GLN A 33 8.527 8.439 -7.130 1.00 0.00 O ATOM 507 CB GLN A 33 8.567 11.482 -8.081 1.00 0.00 C ATOM 508 CG GLN A 33 9.941 12.113 -7.742 1.00 0.00 C ATOM 509 CD GLN A 33 10.478 13.066 -8.791 1.00 0.00 C ATOM 510 OE1 GLN A 33 11.238 12.682 -9.674 1.00 0.00 O ATOM 511 NE2 GLN A 33 10.148 14.337 -8.732 1.00 0.00 N ATOM 0 H GLN A 33 7.978 12.654 -6.053 1.00 0.00 H new ATOM 0 HA GLN A 33 6.928 10.274 -7.209 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.701 10.784 -8.907 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.901 12.270 -8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.856 12.647 -6.795 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.666 11.313 -7.593 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.517 14.667 -8.002 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.523 14.994 -9.416 1.00 0.00 H new ATOM 520 N GLN A 34 9.384 9.506 -5.340 1.00 0.00 N ATOM 521 CA GLN A 34 9.950 8.293 -4.705 1.00 0.00 C ATOM 522 C GLN A 34 8.923 7.507 -3.835 1.00 0.00 C ATOM 523 O GLN A 34 8.778 6.303 -4.054 1.00 0.00 O ATOM 524 CB GLN A 34 11.226 8.658 -3.915 1.00 0.00 C ATOM 525 CG GLN A 34 12.383 9.261 -4.747 1.00 0.00 C ATOM 526 CD GLN A 34 12.895 8.411 -5.901 1.00 0.00 C ATOM 527 OE1 GLN A 34 12.360 8.429 -7.008 1.00 0.00 O ATOM 528 NE2 GLN A 34 13.930 7.634 -5.695 1.00 0.00 N ATOM 0 H GLN A 34 9.611 10.372 -4.851 1.00 0.00 H new ATOM 0 HA GLN A 34 10.218 7.605 -5.506 1.00 0.00 H new ATOM 0 HB2 GLN A 34 10.956 9.369 -3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 34 11.591 7.760 -3.417 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.053 10.220 -5.148 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.217 9.466 -4.076 1.00 0.00 H new ATOM 0 HE21 GLN A 34 14.379 7.614 -4.779 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.287 7.049 -6.451 1.00 0.00 H new ATOM 537 N VAL A 35 8.180 8.152 -2.914 1.00 0.00 N ATOM 538 CA VAL A 35 7.060 7.478 -2.183 1.00 0.00 C ATOM 539 C VAL A 35 5.885 6.974 -3.080 1.00 0.00 C ATOM 540 O VAL A 35 5.434 5.847 -2.869 1.00 0.00 O ATOM 541 CB VAL A 35 6.644 8.317 -0.940 1.00 0.00 C ATOM 542 CG1 VAL A 35 5.819 9.572 -1.242 1.00 0.00 C ATOM 543 CG2 VAL A 35 5.869 7.470 0.090 1.00 0.00 C ATOM 0 H VAL A 35 8.323 9.127 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 35 7.447 6.530 -1.808 1.00 0.00 H new ATOM 0 HB VAL A 35 7.600 8.649 -0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.581 10.084 -0.310 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.393 10.238 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.895 9.288 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.597 8.093 0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.965 7.072 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.496 6.645 0.429 1.00 0.00 H new ATOM 553 N SER A 36 5.446 7.734 -4.102 1.00 0.00 N ATOM 554 CA SER A 36 4.537 7.205 -5.149 1.00 0.00 C ATOM 555 C SER A 36 5.112 6.038 -6.026 1.00 0.00 C ATOM 556 O SER A 36 4.347 5.136 -6.359 1.00 0.00 O ATOM 557 CB SER A 36 4.103 8.341 -6.122 1.00 0.00 C ATOM 558 OG SER A 36 3.456 9.459 -5.510 1.00 0.00 O ATOM 0 H SER A 36 5.702 8.713 -4.229 1.00 0.00 H new ATOM 0 HA SER A 36 3.702 6.797 -4.579 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.986 8.699 -6.652 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.432 7.919 -6.870 1.00 0.00 H new ATOM 0 HG SER A 36 2.736 9.141 -4.926 1.00 0.00 H new ATOM 564 N ALA A 37 6.411 6.016 -6.374 1.00 0.00 N ATOM 565 CA ALA A 37 7.049 4.795 -6.939 1.00 0.00 C ATOM 566 C ALA A 37 7.097 3.544 -6.010 1.00 0.00 C ATOM 567 O ALA A 37 6.781 2.449 -6.479 1.00 0.00 O ATOM 568 CB ALA A 37 8.459 5.166 -7.413 1.00 0.00 C ATOM 0 H ALA A 37 7.039 6.814 -6.279 1.00 0.00 H new ATOM 0 HA ALA A 37 6.406 4.475 -7.759 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.946 4.285 -7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 37 8.394 5.941 -8.176 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.041 5.536 -6.569 1.00 0.00 H new ATOM 574 N LEU A 38 7.452 3.709 -4.725 1.00 0.00 N ATOM 575 CA LEU A 38 7.377 2.615 -3.722 1.00 0.00 C ATOM 576 C LEU A 38 5.926 2.105 -3.441 1.00 0.00 C ATOM 577 O LEU A 38 5.677 0.907 -3.567 1.00 0.00 O ATOM 578 CB LEU A 38 8.097 3.042 -2.414 1.00 0.00 C ATOM 579 CG LEU A 38 9.607 2.720 -2.325 1.00 0.00 C ATOM 580 CD1 LEU A 38 10.480 3.481 -3.325 1.00 0.00 C ATOM 581 CD2 LEU A 38 10.099 3.044 -0.899 1.00 0.00 C ATOM 0 H LEU A 38 7.797 4.592 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 38 7.894 1.759 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.969 4.117 -2.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.595 2.561 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 38 9.707 1.663 -2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 38 11.523 3.193 -3.191 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.165 3.240 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 38 10.375 4.553 -3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 38 11.163 2.821 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.933 4.100 -0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.549 2.439 -0.178 1.00 0.00 H new ATOM 593 N LEU A 39 4.984 2.993 -3.115 1.00 0.00 N ATOM 594 CA LEU A 39 3.546 2.633 -2.989 1.00 0.00 C ATOM 595 C LEU A 39 2.829 2.137 -4.297 1.00 0.00 C ATOM 596 O LEU A 39 1.919 1.312 -4.208 1.00 0.00 O ATOM 597 CB LEU A 39 2.815 3.880 -2.429 1.00 0.00 C ATOM 598 CG LEU A 39 3.150 4.257 -0.963 1.00 0.00 C ATOM 599 CD1 LEU A 39 2.564 5.641 -0.668 1.00 0.00 C ATOM 600 CD2 LEU A 39 2.588 3.268 0.059 1.00 0.00 C ATOM 0 H LEU A 39 5.181 3.977 -2.930 1.00 0.00 H new ATOM 0 HA LEU A 39 3.500 1.766 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.050 4.732 -3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.741 3.712 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 39 4.236 4.242 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.791 5.921 0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.000 6.373 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.483 5.616 -0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.859 3.591 1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.502 3.230 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.002 2.277 -0.128 1.00 0.00 H new ATOM 612 N GLY A 40 3.227 2.649 -5.468 1.00 0.00 N ATOM 613 CA GLY A 40 2.713 2.201 -6.774 1.00 0.00 C ATOM 614 C GLY A 40 1.683 3.153 -7.374 1.00 0.00 C ATOM 615 O GLY A 40 0.479 2.906 -7.261 1.00 0.00 O ATOM 0 H GLY A 40 3.921 3.393 -5.539 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.547 2.094 -7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.264 1.214 -6.661 1.00 0.00 H new ATOM 619 N THR A 41 2.140 4.279 -7.944 1.00 0.00 N ATOM 620 CA THR A 41 1.225 5.397 -8.326 1.00 0.00 C ATOM 621 C THR A 41 1.911 6.416 -9.295 1.00 0.00 C ATOM 622 O THR A 41 3.019 6.865 -8.985 1.00 0.00 O ATOM 623 CB THR A 41 0.717 6.124 -7.035 1.00 0.00 C ATOM 624 OG1 THR A 41 -0.145 5.251 -6.313 1.00 0.00 O ATOM 625 CG2 THR A 41 -0.067 7.410 -7.264 1.00 0.00 C ATOM 0 H THR A 41 3.123 4.451 -8.154 1.00 0.00 H new ATOM 0 HA THR A 41 0.378 4.969 -8.863 1.00 0.00 H new ATOM 0 HB THR A 41 1.628 6.391 -6.500 1.00 0.00 H new ATOM 0 HG1 THR A 41 -0.282 4.428 -6.827 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.369 7.828 -6.304 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.560 8.129 -7.792 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.953 7.194 -7.861 1.00 0.00 H new ATOM 633 N PRO A 42 1.259 6.924 -10.377 1.00 0.00 N ATOM 634 CA PRO A 42 1.648 8.227 -11.007 1.00 0.00 C ATOM 635 C PRO A 42 1.275 9.464 -10.131 1.00 0.00 C ATOM 636 O PRO A 42 0.137 9.620 -9.673 1.00 0.00 O ATOM 637 CB PRO A 42 0.879 8.162 -12.350 1.00 0.00 C ATOM 638 CG PRO A 42 -0.414 7.387 -12.011 1.00 0.00 C ATOM 639 CD PRO A 42 0.024 6.352 -10.960 1.00 0.00 C ATOM 0 HA PRO A 42 2.723 8.356 -11.131 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.657 9.159 -12.730 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.460 7.650 -13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.184 8.051 -11.618 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.831 6.904 -12.895 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.744 6.207 -10.201 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.212 5.379 -11.414 1.00 0.00 H new ATOM 647 N SER A 43 2.266 10.323 -9.885 1.00 0.00 N ATOM 648 CA SER A 43 2.142 11.492 -8.987 1.00 0.00 C ATOM 649 C SER A 43 1.408 12.717 -9.644 1.00 0.00 C ATOM 650 O SER A 43 0.934 12.666 -10.782 1.00 0.00 O ATOM 651 CB SER A 43 3.611 11.843 -8.567 1.00 0.00 C ATOM 652 OG SER A 43 4.304 10.764 -7.937 1.00 0.00 O ATOM 0 H SER A 43 3.191 10.233 -10.305 1.00 0.00 H new ATOM 0 HA SER A 43 1.514 11.251 -8.129 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.168 12.153 -9.451 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.591 12.695 -7.888 1.00 0.00 H new ATOM 0 HG SER A 43 3.906 10.588 -7.059 1.00 0.00 H new ATOM 658 N ILE A 44 1.377 13.839 -8.912 1.00 0.00 N ATOM 659 CA ILE A 44 1.051 15.178 -9.497 1.00 0.00 C ATOM 660 C ILE A 44 2.393 16.006 -9.501 1.00 0.00 C ATOM 661 O ILE A 44 2.677 16.655 -8.484 1.00 0.00 O ATOM 662 CB ILE A 44 -0.109 15.915 -8.729 1.00 0.00 C ATOM 663 CG1 ILE A 44 -1.437 15.109 -8.726 1.00 0.00 C ATOM 664 CG2 ILE A 44 -0.393 17.308 -9.354 1.00 0.00 C ATOM 665 CD1 ILE A 44 -2.456 15.617 -7.699 1.00 0.00 C ATOM 0 H ILE A 44 1.572 13.862 -7.911 1.00 0.00 H new ATOM 0 HA ILE A 44 0.667 15.064 -10.511 1.00 0.00 H new ATOM 0 HB ILE A 44 0.239 16.019 -7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -1.882 15.152 -9.720 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.217 14.061 -8.521 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.198 17.796 -8.805 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.506 17.921 -9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.687 17.186 -10.397 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.359 15.009 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.029 15.548 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.705 16.656 -7.916 1.00 0.00 H new ATOM 677 N PRO A 45 3.226 16.025 -10.577 1.00 0.00 N ATOM 678 CA PRO A 45 4.510 16.790 -10.580 1.00 0.00 C ATOM 679 C PRO A 45 4.380 18.221 -11.166 1.00 0.00 C ATOM 680 O PRO A 45 4.773 18.488 -12.307 1.00 0.00 O ATOM 681 CB PRO A 45 5.412 15.830 -11.406 1.00 0.00 C ATOM 682 CG PRO A 45 4.458 15.252 -12.480 1.00 0.00 C ATOM 683 CD PRO A 45 3.129 15.082 -11.719 1.00 0.00 C ATOM 0 HA PRO A 45 4.906 17.016 -9.590 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.249 16.360 -11.860 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.834 15.043 -10.782 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.352 15.927 -13.329 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.822 14.302 -12.872 1.00 0.00 H new ATOM 0 HD2 PRO A 45 2.276 15.317 -12.355 1.00 0.00 H new ATOM 0 HD3 PRO A 45 2.998 14.056 -11.375 1.00 0.00 H new ATOM 691 N ASP A 46 3.911 19.164 -10.340 1.00 0.00 N ATOM 692 CA ASP A 46 4.019 20.613 -10.627 1.00 0.00 C ATOM 693 C ASP A 46 5.492 21.117 -10.434 1.00 0.00 C ATOM 694 O ASP A 46 6.082 20.872 -9.371 1.00 0.00 O ATOM 695 CB ASP A 46 3.014 21.392 -9.756 1.00 0.00 C ATOM 696 CG ASP A 46 2.938 22.875 -10.114 1.00 0.00 C ATOM 697 OD1 ASP A 46 2.316 23.216 -11.139 1.00 0.00 O ATOM 698 OD2 ASP A 46 3.568 23.691 -9.409 1.00 0.00 O ATOM 0 H ASP A 46 3.447 18.953 -9.456 1.00 0.00 H new ATOM 0 HA ASP A 46 3.766 20.793 -11.672 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.025 20.946 -9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.295 21.291 -8.708 1.00 0.00 H new ATOM 703 N PRO A 47 6.117 21.820 -11.411 1.00 0.00 N ATOM 704 CA PRO A 47 7.453 22.447 -11.205 1.00 0.00 C ATOM 705 C PRO A 47 7.573 23.685 -10.281 1.00 0.00 C ATOM 706 O PRO A 47 8.709 24.019 -9.932 1.00 0.00 O ATOM 707 CB PRO A 47 7.869 22.754 -12.669 1.00 0.00 C ATOM 708 CG PRO A 47 6.533 23.088 -13.380 1.00 0.00 C ATOM 709 CD PRO A 47 5.500 22.172 -12.710 1.00 0.00 C ATOM 0 HA PRO A 47 8.097 21.774 -10.639 1.00 0.00 H new ATOM 0 HB2 PRO A 47 8.566 23.590 -12.718 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.363 21.899 -13.131 1.00 0.00 H new ATOM 0 HG2 PRO A 47 6.270 24.139 -13.257 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.596 22.898 -14.452 1.00 0.00 H new ATOM 0 HD2 PRO A 47 4.546 22.681 -12.573 1.00 0.00 H new ATOM 0 HD3 PRO A 47 5.305 21.284 -13.312 1.00 0.00 H new ATOM 717 N PHE A 48 6.465 24.328 -9.890 1.00 0.00 N ATOM 718 CA PHE A 48 6.479 25.452 -8.921 1.00 0.00 C ATOM 719 C PHE A 48 6.242 24.926 -7.474 1.00 0.00 C ATOM 720 O PHE A 48 7.157 25.017 -6.653 1.00 0.00 O ATOM 721 CB PHE A 48 5.457 26.496 -9.439 1.00 0.00 C ATOM 722 CG PHE A 48 5.622 27.948 -8.937 1.00 0.00 C ATOM 723 CD1 PHE A 48 5.820 28.269 -7.580 1.00 0.00 C ATOM 724 CD2 PHE A 48 5.536 29.004 -9.859 1.00 0.00 C ATOM 725 CE1 PHE A 48 5.938 29.597 -7.165 1.00 0.00 C ATOM 726 CE2 PHE A 48 5.653 30.333 -9.444 1.00 0.00 C ATOM 727 CZ PHE A 48 5.854 30.626 -8.098 1.00 0.00 C ATOM 0 H PHE A 48 5.533 24.091 -10.230 1.00 0.00 H new ATOM 0 HA PHE A 48 7.447 25.949 -8.852 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.506 26.506 -10.528 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.458 26.155 -9.168 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.881 27.476 -6.849 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.377 28.785 -10.905 1.00 0.00 H new ATOM 0 HE1 PHE A 48 6.094 29.825 -6.121 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.588 31.133 -10.167 1.00 0.00 H new ATOM 0 HZ PHE A 48 5.945 31.653 -7.777 1.00 0.00 H new ATOM 737 N HIS A 49 5.039 24.416 -7.150 1.00 0.00 N ATOM 738 CA HIS A 49 4.689 23.981 -5.771 1.00 0.00 C ATOM 739 C HIS A 49 3.682 22.798 -5.837 1.00 0.00 C ATOM 740 O HIS A 49 2.465 22.967 -5.708 1.00 0.00 O ATOM 741 CB HIS A 49 4.214 25.224 -4.987 1.00 0.00 C ATOM 742 CG HIS A 49 3.844 24.986 -3.524 1.00 0.00 C ATOM 743 ND1 HIS A 49 4.740 24.765 -2.496 1.00 0.00 N ATOM 744 CD2 HIS A 49 2.533 24.957 -3.024 1.00 0.00 C ATOM 745 CE1 HIS A 49 3.867 24.596 -1.456 1.00 0.00 C ATOM 746 NE2 HIS A 49 2.515 24.705 -1.665 1.00 0.00 N ATOM 0 H HIS A 49 4.284 24.292 -7.824 1.00 0.00 H new ATOM 0 HA HIS A 49 5.543 23.582 -5.223 1.00 0.00 H new ATOM 0 HB2 HIS A 49 5.001 25.977 -5.025 1.00 0.00 H new ATOM 0 HB3 HIS A 49 3.347 25.643 -5.498 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.760 24.736 -2.509 1.00 0.00 H new ATOM 0 HD2 HIS A 49 1.649 25.112 -3.625 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.243 24.376 -0.468 1.00 0.00 H new ATOM 754 N ALA A 50 4.227 21.583 -6.013 1.00 0.00 N ATOM 755 CA ALA A 50 3.411 20.352 -6.105 1.00 0.00 C ATOM 756 C ALA A 50 2.804 19.842 -4.765 1.00 0.00 C ATOM 757 O ALA A 50 3.414 19.072 -4.019 1.00 0.00 O ATOM 758 CB ALA A 50 4.343 19.332 -6.770 1.00 0.00 C ATOM 0 H ALA A 50 5.231 21.423 -6.095 1.00 0.00 H new ATOM 0 HA ALA A 50 2.505 20.541 -6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.822 18.381 -6.881 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.642 19.699 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.228 19.190 -6.150 1.00 0.00 H new ATOM 764 N GLN A 51 1.547 20.227 -4.516 1.00 0.00 N ATOM 765 CA GLN A 51 0.830 19.885 -3.259 1.00 0.00 C ATOM 766 C GLN A 51 0.384 18.372 -3.152 1.00 0.00 C ATOM 767 O GLN A 51 0.785 17.512 -3.942 1.00 0.00 O ATOM 768 CB GLN A 51 -0.374 20.869 -3.155 1.00 0.00 C ATOM 769 CG GLN A 51 -0.004 22.324 -2.808 1.00 0.00 C ATOM 770 CD GLN A 51 -1.204 23.192 -2.422 1.00 0.00 C ATOM 771 OE1 GLN A 51 -2.375 22.817 -2.499 1.00 0.00 O ATOM 772 NE2 GLN A 51 -0.942 24.389 -1.962 1.00 0.00 N ATOM 0 H GLN A 51 0.992 20.781 -5.168 1.00 0.00 H new ATOM 0 HA GLN A 51 1.510 19.999 -2.415 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -0.910 20.864 -4.104 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -1.063 20.496 -2.398 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.710 22.321 -1.984 1.00 0.00 H new ATOM 0 HG3 GLN A 51 0.498 22.775 -3.664 1.00 0.00 H new ATOM 0 HE21 GLN A 51 0.024 24.709 -1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -1.704 25.002 -1.671 1.00 0.00 H new ATOM 781 N ARG A 52 -0.412 18.079 -2.121 1.00 0.00 N ATOM 782 CA ARG A 52 -0.960 16.743 -1.794 1.00 0.00 C ATOM 783 C ARG A 52 -1.532 15.826 -2.931 1.00 0.00 C ATOM 784 O ARG A 52 -2.013 16.284 -3.970 1.00 0.00 O ATOM 785 CB ARG A 52 -1.982 16.972 -0.642 1.00 0.00 C ATOM 786 CG ARG A 52 -3.400 17.420 -0.980 1.00 0.00 C ATOM 787 CD ARG A 52 -3.590 18.838 -1.521 1.00 0.00 C ATOM 788 NE ARG A 52 -5.039 18.944 -1.777 1.00 0.00 N ATOM 789 CZ ARG A 52 -5.675 19.960 -2.318 1.00 0.00 C ATOM 790 NH1 ARG A 52 -5.127 21.118 -2.595 1.00 0.00 N ATOM 791 NH2 ARG A 52 -6.933 19.767 -2.580 1.00 0.00 N ATOM 0 H ARG A 52 -0.711 18.793 -1.456 1.00 0.00 H new ATOM 0 HA ARG A 52 -0.101 16.129 -1.522 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.058 16.040 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.555 17.715 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.805 16.724 -1.715 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.006 17.321 -0.079 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.258 19.586 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.013 18.996 -2.432 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.609 18.143 -1.505 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.141 21.277 -2.390 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.687 21.860 -3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.367 18.869 -2.365 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -7.487 20.513 -3.000 1.00 0.00 H new ATOM 805 N TRP A 53 -1.502 14.518 -2.665 1.00 0.00 N ATOM 806 CA TRP A 53 -2.163 13.466 -3.502 1.00 0.00 C ATOM 807 C TRP A 53 -3.540 13.156 -2.868 1.00 0.00 C ATOM 808 O TRP A 53 -3.593 12.400 -1.899 1.00 0.00 O ATOM 809 CB TRP A 53 -1.118 12.327 -3.516 1.00 0.00 C ATOM 810 CG TRP A 53 -1.405 10.830 -3.840 1.00 0.00 C ATOM 811 CD1 TRP A 53 -2.640 10.156 -4.069 1.00 0.00 C ATOM 812 CD2 TRP A 53 -0.466 9.788 -3.749 1.00 0.00 C ATOM 813 NE1 TRP A 53 -2.490 8.761 -4.130 1.00 0.00 N ATOM 814 CE2 TRP A 53 -1.151 8.552 -3.886 1.00 0.00 C ATOM 815 CE3 TRP A 53 0.938 9.789 -3.426 1.00 0.00 C ATOM 816 CZ2 TRP A 53 -0.450 7.323 -3.690 1.00 0.00 C ATOM 817 CZ3 TRP A 53 1.585 8.576 -3.218 1.00 0.00 C ATOM 818 CH2 TRP A 53 0.901 7.359 -3.362 1.00 0.00 C ATOM 0 H TRP A 53 -1.015 14.135 -1.854 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.407 13.719 -4.534 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -0.350 12.640 -4.223 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -0.662 12.333 -2.526 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -3.587 10.663 -4.183 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -3.209 8.062 -4.313 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.481 10.719 -3.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -0.962 6.378 -3.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 2.629 8.570 -2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.435 6.432 -3.215 1.00 0.00 H new ATOM 829 N ASP A 54 -4.634 13.722 -3.412 1.00 0.00 N ATOM 830 CA ASP A 54 -6.017 13.448 -2.916 1.00 0.00 C ATOM 831 C ASP A 54 -6.845 12.549 -3.933 1.00 0.00 C ATOM 832 O ASP A 54 -7.912 12.950 -4.414 1.00 0.00 O ATOM 833 CB ASP A 54 -6.777 14.790 -2.716 1.00 0.00 C ATOM 834 CG ASP A 54 -6.382 15.742 -1.612 1.00 0.00 C ATOM 835 OD1 ASP A 54 -5.726 15.343 -0.630 1.00 0.00 O ATOM 836 OD2 ASP A 54 -6.742 16.941 -1.725 1.00 0.00 O ATOM 0 H ASP A 54 -4.598 14.374 -4.196 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.923 12.910 -1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.708 15.341 -3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.828 14.544 -2.567 1.00 0.00 H new ATOM 841 N TYR A 55 -6.370 11.337 -4.275 1.00 0.00 N ATOM 842 CA TYR A 55 -6.986 10.545 -5.375 1.00 0.00 C ATOM 843 C TYR A 55 -6.842 9.011 -5.198 1.00 0.00 C ATOM 844 O TYR A 55 -5.837 8.499 -4.689 1.00 0.00 O ATOM 845 CB TYR A 55 -6.468 11.058 -6.745 1.00 0.00 C ATOM 846 CG TYR A 55 -4.963 11.006 -7.020 1.00 0.00 C ATOM 847 CD1 TYR A 55 -4.365 9.836 -7.501 1.00 0.00 C ATOM 848 CD2 TYR A 55 -4.155 12.128 -6.777 1.00 0.00 C ATOM 849 CE1 TYR A 55 -2.988 9.787 -7.727 1.00 0.00 C ATOM 850 CE2 TYR A 55 -2.779 12.071 -7.002 1.00 0.00 C ATOM 851 CZ TYR A 55 -2.196 10.906 -7.487 1.00 0.00 C ATOM 852 OH TYR A 55 -0.848 10.868 -7.685 1.00 0.00 O ATOM 0 H TYR A 55 -5.577 10.885 -3.820 1.00 0.00 H new ATOM 0 HA TYR A 55 -8.063 10.707 -5.337 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.968 10.484 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.790 12.093 -6.855 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.972 8.965 -7.699 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -4.601 13.042 -6.413 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.535 8.876 -8.090 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.165 12.936 -6.799 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.635 10.187 -8.357 1.00 0.00 H new ATOM 862 N THR A 56 -7.845 8.269 -5.701 1.00 0.00 N ATOM 863 CA THR A 56 -7.838 6.783 -5.676 1.00 0.00 C ATOM 864 C THR A 56 -6.930 6.220 -6.813 1.00 0.00 C ATOM 865 O THR A 56 -7.331 6.095 -7.973 1.00 0.00 O ATOM 866 CB THR A 56 -9.296 6.238 -5.732 1.00 0.00 C ATOM 867 OG1 THR A 56 -10.097 6.807 -4.698 1.00 0.00 O ATOM 868 CG2 THR A 56 -9.371 4.722 -5.552 1.00 0.00 C ATOM 0 H THR A 56 -8.677 8.670 -6.133 1.00 0.00 H new ATOM 0 HA THR A 56 -7.407 6.436 -4.737 1.00 0.00 H new ATOM 0 HB THR A 56 -9.662 6.512 -6.721 1.00 0.00 H new ATOM 0 HG1 THR A 56 -10.083 6.220 -3.913 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.412 4.401 -5.600 1.00 0.00 H new ATOM 0 HG22 THR A 56 -8.803 4.233 -6.344 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.952 4.449 -4.583 1.00 0.00 H new ATOM 1095 N LYS A 70 -4.696 1.470 -4.972 1.00 0.00 N ATOM 1096 CA LYS A 70 -4.154 2.127 -3.761 1.00 0.00 C ATOM 1097 C LYS A 70 -4.968 3.443 -3.487 1.00 0.00 C ATOM 1098 O LYS A 70 -4.619 4.536 -3.946 1.00 0.00 O ATOM 1099 CB LYS A 70 -2.643 2.421 -3.929 1.00 0.00 C ATOM 1100 CG LYS A 70 -1.699 1.215 -3.799 1.00 0.00 C ATOM 1101 CD LYS A 70 -1.337 0.488 -5.098 1.00 0.00 C ATOM 1102 CE LYS A 70 -1.596 -1.029 -5.132 1.00 0.00 C ATOM 1103 NZ LYS A 70 -0.845 -1.840 -4.133 1.00 0.00 N ATOM 0 HA LYS A 70 -4.259 1.462 -2.904 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.489 2.873 -4.909 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.354 3.164 -3.186 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.776 1.553 -3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.157 0.495 -3.121 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.896 0.948 -5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -0.280 0.658 -5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.662 -1.199 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.351 -1.398 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.846 -2.838 -4.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.135 -1.497 -4.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -1.299 -1.751 -3.202 1.00 0.00 H new ATOM 1117 N ASN A 71 -6.041 3.318 -2.698 1.00 0.00 N ATOM 1118 CA ASN A 71 -6.831 4.476 -2.202 1.00 0.00 C ATOM 1119 C ASN A 71 -6.097 5.180 -1.014 1.00 0.00 C ATOM 1120 O ASN A 71 -6.157 4.736 0.135 1.00 0.00 O ATOM 1121 CB ASN A 71 -8.237 3.941 -1.852 1.00 0.00 C ATOM 1122 CG ASN A 71 -9.258 5.025 -1.546 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -9.631 5.808 -2.415 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -9.733 5.109 -0.328 1.00 0.00 N ATOM 0 H ASN A 71 -6.395 2.416 -2.379 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.935 5.256 -2.956 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.602 3.339 -2.684 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -8.157 3.279 -0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -10.418 5.829 -0.096 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.418 4.455 0.388 1.00 0.00 H new ATOM 1131 N PHE A 72 -5.354 6.241 -1.347 1.00 0.00 N ATOM 1132 CA PHE A 72 -4.377 6.869 -0.411 1.00 0.00 C ATOM 1133 C PHE A 72 -4.436 8.424 -0.501 1.00 0.00 C ATOM 1134 O PHE A 72 -4.352 8.990 -1.594 1.00 0.00 O ATOM 1135 CB PHE A 72 -2.978 6.317 -0.807 1.00 0.00 C ATOM 1136 CG PHE A 72 -1.876 6.501 0.244 1.00 0.00 C ATOM 1137 CD1 PHE A 72 -1.888 5.726 1.410 1.00 0.00 C ATOM 1138 CD2 PHE A 72 -0.802 7.374 0.034 1.00 0.00 C ATOM 1139 CE1 PHE A 72 -0.860 5.821 2.349 1.00 0.00 C ATOM 1140 CE2 PHE A 72 0.241 7.453 0.961 1.00 0.00 C ATOM 1141 CZ PHE A 72 0.212 6.673 2.114 1.00 0.00 C ATOM 0 H PHE A 72 -5.401 6.695 -2.259 1.00 0.00 H new ATOM 0 HA PHE A 72 -4.605 6.624 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.074 5.253 -1.025 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.662 6.804 -1.729 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -2.706 5.043 1.586 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.779 7.992 -0.852 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -0.898 5.234 3.255 1.00 0.00 H new ATOM 0 HE2 PHE A 72 1.071 8.120 0.783 1.00 0.00 H new ATOM 0 HZ PHE A 72 1.023 6.730 2.825 1.00 0.00 H new ATOM 1151 N THR A 73 -4.540 9.102 0.649 1.00 0.00 N ATOM 1152 CA THR A 73 -4.459 10.591 0.725 1.00 0.00 C ATOM 1153 C THR A 73 -3.145 10.971 1.477 1.00 0.00 C ATOM 1154 O THR A 73 -2.961 10.584 2.633 1.00 0.00 O ATOM 1155 CB THR A 73 -5.722 11.154 1.444 1.00 0.00 C ATOM 1156 OG1 THR A 73 -6.908 10.774 0.754 1.00 0.00 O ATOM 1157 CG2 THR A 73 -5.761 12.679 1.497 1.00 0.00 C ATOM 0 H THR A 73 -4.682 8.651 1.553 1.00 0.00 H new ATOM 0 HA THR A 73 -4.434 11.030 -0.272 1.00 0.00 H new ATOM 0 HB THR A 73 -5.669 10.744 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.689 11.136 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.666 13.002 2.011 1.00 0.00 H new ATOM 0 HG22 THR A 73 -4.887 13.047 2.035 1.00 0.00 H new ATOM 0 HG23 THR A 73 -5.757 13.079 0.483 1.00 0.00 H new ATOM 1165 N VAL A 74 -2.239 11.724 0.839 1.00 0.00 N ATOM 1166 CA VAL A 74 -0.914 12.079 1.449 1.00 0.00 C ATOM 1167 C VAL A 74 -0.510 13.542 1.121 1.00 0.00 C ATOM 1168 O VAL A 74 -0.613 14.005 -0.018 1.00 0.00 O ATOM 1169 CB VAL A 74 0.180 11.022 1.114 1.00 0.00 C ATOM 1170 CG1 VAL A 74 0.369 10.738 -0.375 1.00 0.00 C ATOM 1171 CG2 VAL A 74 1.575 11.362 1.680 1.00 0.00 C ATOM 0 H VAL A 74 -2.382 12.106 -0.096 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.018 12.044 2.533 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.224 10.136 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.151 9.990 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.565 10.364 -0.796 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.656 11.657 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.281 10.578 1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.912 12.314 1.270 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.519 11.434 2.766 1.00 0.00 H new ATOM 1181 N PHE A 75 -0.006 14.240 2.145 1.00 0.00 N ATOM 1182 CA PHE A 75 0.241 15.697 2.103 1.00 0.00 C ATOM 1183 C PHE A 75 1.729 16.034 1.814 1.00 0.00 C ATOM 1184 O PHE A 75 2.649 15.487 2.427 1.00 0.00 O ATOM 1185 CB PHE A 75 -0.273 16.322 3.430 1.00 0.00 C ATOM 1186 CG PHE A 75 -1.817 16.429 3.463 1.00 0.00 C ATOM 1187 CD1 PHE A 75 -2.614 15.347 3.877 1.00 0.00 C ATOM 1188 CD2 PHE A 75 -2.453 17.586 2.990 1.00 0.00 C ATOM 1189 CE1 PHE A 75 -4.006 15.422 3.821 1.00 0.00 C ATOM 1190 CE2 PHE A 75 -3.846 17.659 2.925 1.00 0.00 C ATOM 1191 CZ PHE A 75 -4.619 16.577 3.341 1.00 0.00 C ATOM 0 H PHE A 75 0.246 13.812 3.036 1.00 0.00 H new ATOM 0 HA PHE A 75 -0.310 16.135 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 75 0.066 15.717 4.271 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.162 17.314 3.555 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.143 14.447 4.243 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.859 18.430 2.672 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.607 14.587 4.149 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.324 18.553 2.553 1.00 0.00 H new ATOM 0 HZ PHE A 75 -5.696 16.634 3.291 1.00 0.00 H new ATOM 1201 N PHE A 76 1.932 16.950 0.862 1.00 0.00 N ATOM 1202 CA PHE A 76 3.273 17.357 0.378 1.00 0.00 C ATOM 1203 C PHE A 76 3.371 18.920 0.338 1.00 0.00 C ATOM 1204 O PHE A 76 2.387 19.610 0.043 1.00 0.00 O ATOM 1205 CB PHE A 76 3.526 16.840 -1.070 1.00 0.00 C ATOM 1206 CG PHE A 76 3.449 15.325 -1.270 1.00 0.00 C ATOM 1207 CD1 PHE A 76 4.420 14.462 -0.739 1.00 0.00 C ATOM 1208 CD2 PHE A 76 2.397 14.777 -2.016 1.00 0.00 C ATOM 1209 CE1 PHE A 76 4.326 13.085 -0.944 1.00 0.00 C ATOM 1210 CE2 PHE A 76 2.324 13.406 -2.242 1.00 0.00 C ATOM 1211 CZ PHE A 76 3.282 12.559 -1.698 1.00 0.00 C ATOM 0 H PHE A 76 1.169 17.440 0.395 1.00 0.00 H new ATOM 0 HA PHE A 76 4.010 16.932 1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.800 17.310 -1.733 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.513 17.178 -1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.244 14.866 -0.169 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.634 15.426 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.066 12.425 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.522 13.000 -2.841 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.216 11.493 -1.860 1.00 0.00 H new ATOM 1221 N GLU A 77 4.582 19.452 0.541 1.00 0.00 N ATOM 1222 CA GLU A 77 4.890 20.880 0.199 1.00 0.00 C ATOM 1223 C GLU A 77 5.128 21.014 -1.334 1.00 0.00 C ATOM 1224 O GLU A 77 4.238 21.474 -2.052 1.00 0.00 O ATOM 1225 CB GLU A 77 5.996 21.301 1.185 1.00 0.00 C ATOM 1226 CG GLU A 77 6.634 22.689 1.038 1.00 0.00 C ATOM 1227 CD GLU A 77 7.741 22.775 0.006 1.00 0.00 C ATOM 1228 OE1 GLU A 77 8.790 22.121 0.201 1.00 0.00 O ATOM 1229 OE2 GLU A 77 7.560 23.455 -1.026 1.00 0.00 O ATOM 0 H GLU A 77 5.369 18.937 0.935 1.00 0.00 H new ATOM 0 HA GLU A 77 4.083 21.599 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.583 21.234 2.191 1.00 0.00 H new ATOM 0 HB3 GLU A 77 6.795 20.563 1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.855 23.405 0.775 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.034 22.994 2.005 1.00 0.00 H new ATOM 1236 N ASN A 78 6.272 20.526 -1.830 1.00 0.00 N ATOM 1237 CA ASN A 78 6.511 20.286 -3.277 1.00 0.00 C ATOM 1238 C ASN A 78 7.026 18.836 -3.512 1.00 0.00 C ATOM 1239 O ASN A 78 6.351 18.035 -4.160 1.00 0.00 O ATOM 1240 CB ASN A 78 7.271 21.447 -3.943 1.00 0.00 C ATOM 1241 CG ASN A 78 8.781 21.521 -3.863 1.00 0.00 C ATOM 1242 OD1 ASN A 78 9.490 20.978 -4.706 1.00 0.00 O ATOM 1243 ND2 ASN A 78 9.336 22.176 -2.877 1.00 0.00 N ATOM 0 H ASN A 78 7.069 20.282 -1.243 1.00 0.00 H new ATOM 0 HA ASN A 78 5.571 20.308 -3.829 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.004 21.442 -5.000 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.880 22.372 -3.520 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.352 22.234 -2.811 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.753 22.629 -2.174 1.00 0.00 H new ATOM 1250 N GLU A 79 8.184 18.496 -2.936 1.00 0.00 N ATOM 1251 CA GLU A 79 8.644 17.097 -2.778 1.00 0.00 C ATOM 1252 C GLU A 79 8.464 16.528 -1.332 1.00 0.00 C ATOM 1253 O GLU A 79 8.097 15.360 -1.198 1.00 0.00 O ATOM 1254 CB GLU A 79 10.122 17.007 -3.241 1.00 0.00 C ATOM 1255 CG GLU A 79 10.324 16.970 -4.765 1.00 0.00 C ATOM 1256 CD GLU A 79 9.715 15.812 -5.539 1.00 0.00 C ATOM 1257 OE1 GLU A 79 9.816 14.645 -5.101 1.00 0.00 O ATOM 1258 OE2 GLU A 79 9.149 16.063 -6.628 1.00 0.00 O ATOM 0 H GLU A 79 8.839 19.183 -2.561 1.00 0.00 H new ATOM 0 HA GLU A 79 8.010 16.468 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.666 17.861 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.569 16.112 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.922 17.895 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 79 11.396 16.974 -4.960 1.00 0.00 H new ATOM 1265 N GLN A 80 8.739 17.300 -0.268 1.00 0.00 N ATOM 1266 CA GLN A 80 8.837 16.757 1.110 1.00 0.00 C ATOM 1267 C GLN A 80 7.480 16.330 1.728 1.00 0.00 C ATOM 1268 O GLN A 80 6.474 17.040 1.619 1.00 0.00 O ATOM 1269 CB GLN A 80 9.642 17.724 2.013 1.00 0.00 C ATOM 1270 CG GLN A 80 9.038 19.125 2.235 1.00 0.00 C ATOM 1271 CD GLN A 80 9.932 20.076 3.019 1.00 0.00 C ATOM 1272 OE1 GLN A 80 10.429 19.771 4.098 1.00 0.00 O ATOM 1273 NE2 GLN A 80 10.149 21.275 2.531 1.00 0.00 N ATOM 0 H GLN A 80 8.899 18.306 -0.329 1.00 0.00 H new ATOM 0 HA GLN A 80 9.389 15.820 1.040 1.00 0.00 H new ATOM 0 HB2 GLN A 80 9.773 17.251 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 80 10.635 17.846 1.581 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.816 19.570 1.265 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.089 19.020 2.762 1.00 0.00 H new ATOM 0 HE21 GLN A 80 9.742 21.542 1.635 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.725 21.940 3.048 1.00 0.00 H new ATOM 1282 N VAL A 81 7.471 15.143 2.348 1.00 0.00 N ATOM 1283 CA VAL A 81 6.214 14.468 2.770 1.00 0.00 C ATOM 1284 C VAL A 81 5.853 14.867 4.240 1.00 0.00 C ATOM 1285 O VAL A 81 6.674 14.726 5.152 1.00 0.00 O ATOM 1286 CB VAL A 81 6.281 12.903 2.653 1.00 0.00 C ATOM 1287 CG1 VAL A 81 4.856 12.310 2.630 1.00 0.00 C ATOM 1288 CG2 VAL A 81 7.073 12.341 1.460 1.00 0.00 C ATOM 0 H VAL A 81 8.317 14.620 2.574 1.00 0.00 H new ATOM 0 HA VAL A 81 5.438 14.808 2.084 1.00 0.00 H new ATOM 0 HB VAL A 81 6.839 12.598 3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.915 11.225 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.336 12.577 3.550 1.00 0.00 H new ATOM 0 HG13 VAL A 81 4.310 12.709 1.775 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.047 11.252 1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.627 12.692 0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.107 12.681 1.517 1.00 0.00 H new ATOM 1298 N VAL A 82 4.616 15.327 4.444 1.00 0.00 N ATOM 1299 CA VAL A 82 4.137 15.815 5.767 1.00 0.00 C ATOM 1300 C VAL A 82 3.393 14.672 6.541 1.00 0.00 C ATOM 1301 O VAL A 82 3.872 14.260 7.598 1.00 0.00 O ATOM 1302 CB VAL A 82 3.301 17.132 5.601 1.00 0.00 C ATOM 1303 CG1 VAL A 82 2.864 17.727 6.960 1.00 0.00 C ATOM 1304 CG2 VAL A 82 4.067 18.259 4.861 1.00 0.00 C ATOM 0 H VAL A 82 3.911 15.377 3.709 1.00 0.00 H new ATOM 0 HA VAL A 82 4.990 16.085 6.390 1.00 0.00 H new ATOM 0 HB VAL A 82 2.439 16.817 5.013 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.289 18.637 6.791 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.249 17.003 7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.747 17.961 7.555 1.00 0.00 H new ATOM 0 HG21 VAL A 82 3.430 19.140 4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.969 18.512 5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 82 4.341 17.918 3.863 1.00 0.00 H new ATOM 1314 N ARG A 83 2.231 14.198 6.052 1.00 0.00 N ATOM 1315 CA ARG A 83 1.399 13.173 6.754 1.00 0.00 C ATOM 1316 C ARG A 83 0.442 12.429 5.772 1.00 0.00 C ATOM 1317 O ARG A 83 0.163 12.905 4.666 1.00 0.00 O ATOM 1318 CB ARG A 83 0.705 13.747 8.014 1.00 0.00 C ATOM 1319 CG ARG A 83 -0.227 14.960 7.877 1.00 0.00 C ATOM 1320 CD ARG A 83 -1.640 14.695 7.347 1.00 0.00 C ATOM 1321 NE ARG A 83 -2.472 13.791 8.181 1.00 0.00 N ATOM 1322 CZ ARG A 83 -3.062 14.114 9.330 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -2.916 15.270 9.924 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -3.826 13.235 9.900 1.00 0.00 N ATOM 0 H ARG A 83 1.835 14.506 5.164 1.00 0.00 H new ATOM 0 HA ARG A 83 2.071 12.403 7.133 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.127 12.940 8.465 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.487 14.014 8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.315 15.432 8.856 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.252 15.683 7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.158 15.649 7.247 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.561 14.269 6.347 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.603 12.837 7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.322 15.986 9.507 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.397 15.455 10.804 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.963 12.321 9.468 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.290 13.457 10.781 1.00 0.00 H new ATOM 1338 N TRP A 84 -0.031 11.237 6.169 1.00 0.00 N ATOM 1339 CA TRP A 84 -0.697 10.284 5.252 1.00 0.00 C ATOM 1340 C TRP A 84 -1.850 9.454 5.896 1.00 0.00 C ATOM 1341 O TRP A 84 -1.741 8.956 7.019 1.00 0.00 O ATOM 1342 CB TRP A 84 0.329 9.358 4.570 1.00 0.00 C ATOM 1343 CG TRP A 84 1.310 8.516 5.425 1.00 0.00 C ATOM 1344 CD1 TRP A 84 1.021 7.336 6.159 1.00 0.00 C ATOM 1345 CD2 TRP A 84 2.688 8.702 5.575 1.00 0.00 C ATOM 1346 NE1 TRP A 84 2.169 6.805 6.770 1.00 0.00 N ATOM 1347 CE2 TRP A 84 3.187 7.655 6.392 1.00 0.00 C ATOM 1348 CE3 TRP A 84 3.586 9.681 5.041 1.00 0.00 C ATOM 1349 CZ2 TRP A 84 4.583 7.578 6.680 1.00 0.00 C ATOM 1350 CZ3 TRP A 84 4.939 9.587 5.344 1.00 0.00 C ATOM 1351 CH2 TRP A 84 5.433 8.547 6.153 1.00 0.00 C ATOM 0 H TRP A 84 0.035 10.903 7.130 1.00 0.00 H new ATOM 0 HA TRP A 84 -1.177 10.909 4.499 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -0.230 8.664 3.942 1.00 0.00 H new ATOM 0 HB3 TRP A 84 0.930 9.977 3.904 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.037 6.899 6.238 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.235 5.976 7.361 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.218 10.479 4.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.973 6.782 7.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.623 10.325 4.952 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.490 8.499 6.369 1.00 0.00 H new ATOM 1362 N GLU A 85 -2.907 9.266 5.100 1.00 0.00 N ATOM 1363 CA GLU A 85 -4.118 8.504 5.481 1.00 0.00 C ATOM 1364 C GLU A 85 -4.366 7.409 4.387 1.00 0.00 C ATOM 1365 O GLU A 85 -4.637 7.719 3.219 1.00 0.00 O ATOM 1366 CB GLU A 85 -5.327 9.472 5.576 1.00 0.00 C ATOM 1367 CG GLU A 85 -5.538 10.168 6.932 1.00 0.00 C ATOM 1368 CD GLU A 85 -4.457 11.094 7.449 1.00 0.00 C ATOM 1369 OE1 GLU A 85 -3.978 11.988 6.721 1.00 0.00 O ATOM 1370 OE2 GLU A 85 -4.098 10.975 8.638 1.00 0.00 O ATOM 0 H GLU A 85 -2.954 9.643 4.153 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.988 8.026 6.452 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -5.211 10.240 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -6.232 8.914 5.333 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.463 10.742 6.869 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -5.695 9.392 7.681 1.00 0.00 H new ATOM 1377 N GLY A 86 -4.257 6.132 4.783 1.00 0.00 N ATOM 1378 CA GLY A 86 -4.329 4.999 3.837 1.00 0.00 C ATOM 1379 C GLY A 86 -5.382 3.935 4.137 1.00 0.00 C ATOM 1380 O GLY A 86 -5.052 2.876 4.676 1.00 0.00 O ATOM 0 H GLY A 86 -4.118 5.853 5.754 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.519 5.397 2.840 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.353 4.515 3.807 1.00 0.00 H new ATOM 1384 N ASP A 87 -6.616 4.191 3.691 1.00 0.00 N ATOM 1385 CA ASP A 87 -7.687 3.158 3.641 1.00 0.00 C ATOM 1386 C ASP A 87 -7.745 2.544 2.205 1.00 0.00 C ATOM 1387 O ASP A 87 -8.505 2.986 1.339 1.00 0.00 O ATOM 1388 CB ASP A 87 -8.992 3.835 4.111 1.00 0.00 C ATOM 1389 CG ASP A 87 -10.133 2.856 4.364 1.00 0.00 C ATOM 1390 OD1 ASP A 87 -10.006 2.012 5.278 1.00 0.00 O ATOM 1391 OD2 ASP A 87 -11.159 2.926 3.655 1.00 0.00 O ATOM 0 H ASP A 87 -6.911 5.108 3.355 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.501 2.313 4.304 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.793 4.392 5.027 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.306 4.559 3.360 1.00 0.00 H new ATOM 1396 N TYR A 88 -6.877 1.550 1.971 1.00 0.00 N ATOM 1397 CA TYR A 88 -6.622 0.968 0.629 1.00 0.00 C ATOM 1398 C TYR A 88 -7.024 -0.534 0.507 1.00 0.00 C ATOM 1399 O TYR A 88 -7.335 -1.223 1.481 1.00 0.00 O ATOM 1400 CB TYR A 88 -5.192 1.318 0.135 1.00 0.00 C ATOM 1401 CG TYR A 88 -3.975 1.172 1.047 1.00 0.00 C ATOM 1402 CD1 TYR A 88 -3.762 0.042 1.853 1.00 0.00 C ATOM 1403 CD2 TYR A 88 -3.026 2.203 1.070 1.00 0.00 C ATOM 1404 CE1 TYR A 88 -2.645 -0.030 2.686 1.00 0.00 C ATOM 1405 CE2 TYR A 88 -1.906 2.123 1.896 1.00 0.00 C ATOM 1406 CZ TYR A 88 -1.718 1.009 2.704 1.00 0.00 C ATOM 1407 OH TYR A 88 -0.622 0.936 3.499 1.00 0.00 O ATOM 0 H TYR A 88 -6.322 1.117 2.710 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.303 1.447 -0.074 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.003 0.706 -0.747 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -5.217 2.356 -0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.467 -0.776 1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.164 3.070 0.440 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -2.499 -0.893 3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -1.185 2.927 1.908 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.626 1.685 4.131 1.00 0.00 H new ATOM 1667 N GLY A 105 2.133 -3.418 -24.402 1.00 0.00 N ATOM 1668 CA GLY A 105 1.340 -2.609 -23.443 1.00 0.00 C ATOM 1669 C GLY A 105 2.168 -2.246 -22.189 1.00 0.00 C ATOM 1670 O GLY A 105 3.060 -2.997 -21.784 1.00 0.00 O ATOM 0 HA2 GLY A 105 0.998 -1.697 -23.931 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.451 -3.164 -23.145 1.00 0.00 H new ATOM 1674 N ARG A 106 1.884 -1.085 -21.589 1.00 0.00 N ATOM 1675 CA ARG A 106 2.805 -0.430 -20.616 1.00 0.00 C ATOM 1676 C ARG A 106 3.159 -1.261 -19.345 1.00 0.00 C ATOM 1677 O ARG A 106 2.327 -1.468 -18.460 1.00 0.00 O ATOM 1678 CB ARG A 106 2.197 0.964 -20.283 1.00 0.00 C ATOM 1679 CG ARG A 106 3.084 1.863 -19.392 1.00 0.00 C ATOM 1680 CD ARG A 106 2.628 1.948 -17.922 1.00 0.00 C ATOM 1681 NE ARG A 106 1.818 3.173 -17.695 1.00 0.00 N ATOM 1682 CZ ARG A 106 2.268 4.288 -17.123 1.00 0.00 C ATOM 1683 NH1 ARG A 106 3.324 4.360 -16.356 1.00 0.00 N ATOM 1684 NH2 ARG A 106 1.626 5.399 -17.328 1.00 0.00 N ATOM 0 H ARG A 106 1.021 -0.566 -21.753 1.00 0.00 H new ATOM 0 HA ARG A 106 3.783 -0.334 -21.088 1.00 0.00 H new ATOM 0 HB2 ARG A 106 1.995 1.489 -21.217 1.00 0.00 H new ATOM 0 HB3 ARG A 106 1.238 0.817 -19.786 1.00 0.00 H new ATOM 0 HG2 ARG A 106 4.107 1.487 -19.422 1.00 0.00 H new ATOM 0 HG3 ARG A 106 3.101 2.868 -19.813 1.00 0.00 H new ATOM 0 HD2 ARG A 106 2.042 1.065 -17.666 1.00 0.00 H new ATOM 0 HD3 ARG A 106 3.498 1.954 -17.266 1.00 0.00 H new ATOM 0 HE ARG A 106 0.845 3.159 -18.000 1.00 0.00 H new ATOM 0 HH11 ARG A 106 3.869 3.521 -16.158 1.00 0.00 H new ATOM 0 HH12 ARG A 106 3.603 5.255 -15.955 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.794 5.406 -17.918 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.954 6.264 -16.899 1.00 0.00 H new ATOM 1698 N ASN A 107 4.431 -1.672 -19.265 1.00 0.00 N ATOM 1699 CA ASN A 107 5.002 -2.340 -18.065 1.00 0.00 C ATOM 1700 C ASN A 107 6.033 -1.391 -17.381 1.00 0.00 C ATOM 1701 O ASN A 107 7.248 -1.588 -17.475 1.00 0.00 O ATOM 1702 CB ASN A 107 5.587 -3.686 -18.554 1.00 0.00 C ATOM 1703 CG ASN A 107 5.979 -4.657 -17.453 1.00 0.00 C ATOM 1704 OD1 ASN A 107 5.153 -5.358 -16.881 1.00 0.00 O ATOM 1705 ND2 ASN A 107 7.242 -4.733 -17.109 1.00 0.00 N ATOM 0 H ASN A 107 5.102 -1.556 -20.025 1.00 0.00 H new ATOM 0 HA ASN A 107 4.262 -2.552 -17.293 1.00 0.00 H new ATOM 0 HB2 ASN A 107 4.854 -4.170 -19.200 1.00 0.00 H new ATOM 0 HB3 ASN A 107 6.465 -3.482 -19.166 1.00 0.00 H new ATOM 0 HD21 ASN A 107 7.531 -5.373 -16.369 1.00 0.00 H new ATOM 0 HD22 ASN A 107 7.935 -4.152 -17.581 1.00 0.00 H new ATOM 1712 N LEU A 108 5.527 -0.352 -16.695 1.00 0.00 N ATOM 1713 CA LEU A 108 6.378 0.687 -16.047 1.00 0.00 C ATOM 1714 C LEU A 108 5.567 1.317 -14.877 1.00 0.00 C ATOM 1715 O LEU A 108 4.614 2.066 -15.117 1.00 0.00 O ATOM 1716 CB LEU A 108 6.822 1.711 -17.122 1.00 0.00 C ATOM 1717 CG LEU A 108 7.987 2.672 -16.820 1.00 0.00 C ATOM 1718 CD1 LEU A 108 7.673 3.729 -15.764 1.00 0.00 C ATOM 1719 CD2 LEU A 108 9.296 1.950 -16.483 1.00 0.00 C ATOM 0 H LEU A 108 4.526 -0.200 -16.569 1.00 0.00 H new ATOM 0 HA LEU A 108 7.290 0.269 -15.620 1.00 0.00 H new ATOM 0 HB2 LEU A 108 7.086 1.150 -18.018 1.00 0.00 H new ATOM 0 HB3 LEU A 108 5.953 2.320 -17.372 1.00 0.00 H new ATOM 0 HG LEU A 108 8.129 3.202 -17.762 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.547 4.363 -15.613 1.00 0.00 H new ATOM 0 HD12 LEU A 108 6.835 4.340 -16.099 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.413 3.240 -14.825 1.00 0.00 H new ATOM 0 HD21 LEU A 108 10.075 2.685 -16.281 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.150 1.324 -15.602 1.00 0.00 H new ATOM 0 HD23 LEU A 108 9.595 1.327 -17.326 1.00 0.00 H new ATOM 1731 N ALA A 109 5.955 1.018 -13.623 1.00 0.00 N ATOM 1732 CA ALA A 109 5.150 1.359 -12.416 1.00 0.00 C ATOM 1733 C ALA A 109 4.703 2.838 -12.219 1.00 0.00 C ATOM 1734 O ALA A 109 3.509 3.068 -12.003 1.00 0.00 O ATOM 1735 CB ALA A 109 5.914 0.826 -11.192 1.00 0.00 C ATOM 0 H ALA A 109 6.828 0.536 -13.410 1.00 0.00 H new ATOM 0 HA ALA A 109 4.183 0.877 -12.561 1.00 0.00 H new ATOM 0 HB1 ALA A 109 5.355 1.057 -10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.034 -0.254 -11.280 1.00 0.00 H new ATOM 0 HB3 ALA A 109 6.896 1.297 -11.143 1.00 0.00 H new ATOM 1741 N ARG A 110 5.622 3.817 -12.319 1.00 0.00 N ATOM 1742 CA ARG A 110 5.244 5.249 -12.445 1.00 0.00 C ATOM 1743 C ARG A 110 6.210 5.996 -13.403 1.00 0.00 C ATOM 1744 O ARG A 110 7.433 6.003 -13.212 1.00 0.00 O ATOM 1745 CB ARG A 110 5.053 5.925 -11.073 1.00 0.00 C ATOM 1746 CG ARG A 110 6.273 6.344 -10.250 1.00 0.00 C ATOM 1747 CD ARG A 110 6.774 7.768 -10.546 1.00 0.00 C ATOM 1748 NE ARG A 110 8.066 8.004 -9.858 1.00 0.00 N ATOM 1749 CZ ARG A 110 9.273 7.770 -10.365 1.00 0.00 C ATOM 1750 NH1 ARG A 110 9.484 7.318 -11.577 1.00 0.00 N ATOM 1751 NH2 ARG A 110 10.301 7.983 -9.595 1.00 0.00 N ATOM 0 H ARG A 110 6.628 3.650 -12.316 1.00 0.00 H new ATOM 0 HA ARG A 110 4.261 5.306 -12.912 1.00 0.00 H new ATOM 0 HB2 ARG A 110 4.448 6.817 -11.233 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.464 5.246 -10.456 1.00 0.00 H new ATOM 0 HG2 ARG A 110 6.026 6.271 -9.191 1.00 0.00 H new ATOM 0 HG3 ARG A 110 7.083 5.639 -10.438 1.00 0.00 H new ATOM 0 HD2 ARG A 110 6.895 7.904 -11.621 1.00 0.00 H new ATOM 0 HD3 ARG A 110 6.037 8.498 -10.213 1.00 0.00 H new ATOM 0 HE ARG A 110 8.025 8.380 -8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 110 8.695 7.124 -12.194 1.00 0.00 H new ATOM 0 HH12 ARG A 110 10.437 7.160 -11.904 1.00 0.00 H new ATOM 0 HH21 ARG A 110 10.163 8.317 -8.641 1.00 0.00 H new ATOM 0 HH22 ARG A 110 11.244 7.816 -9.946 1.00 0.00 H new ATOM 1765 N ASP A 111 5.642 6.653 -14.410 1.00 0.00 N ATOM 1766 CA ASP A 111 6.386 7.450 -15.413 1.00 0.00 C ATOM 1767 C ASP A 111 6.732 8.902 -14.956 1.00 0.00 C ATOM 1768 O ASP A 111 6.253 9.409 -13.936 1.00 0.00 O ATOM 1769 CB ASP A 111 5.603 7.366 -16.749 1.00 0.00 C ATOM 1770 CG ASP A 111 4.165 7.868 -16.749 1.00 0.00 C ATOM 1771 OD1 ASP A 111 3.293 7.161 -16.187 1.00 0.00 O ATOM 1772 OD2 ASP A 111 3.894 8.946 -17.312 1.00 0.00 O ATOM 0 H ASP A 111 4.634 6.654 -14.565 1.00 0.00 H new ATOM 0 HA ASP A 111 7.379 7.023 -15.550 1.00 0.00 H new ATOM 0 HB2 ASP A 111 6.157 7.929 -17.500 1.00 0.00 H new ATOM 0 HB3 ASP A 111 5.597 6.325 -17.071 1.00 0.00 H new ATOM 1777 N LYS A 112 7.628 9.548 -15.717 1.00 0.00 N ATOM 1778 CA LYS A 112 8.014 10.965 -15.488 1.00 0.00 C ATOM 1779 C LYS A 112 8.448 11.600 -16.846 1.00 0.00 C ATOM 1780 O LYS A 112 9.642 11.725 -17.138 1.00 0.00 O ATOM 1781 CB LYS A 112 9.120 11.014 -14.397 1.00 0.00 C ATOM 1782 CG LYS A 112 9.554 12.438 -13.995 1.00 0.00 C ATOM 1783 CD LYS A 112 10.752 12.407 -13.027 1.00 0.00 C ATOM 1784 CE LYS A 112 11.327 13.814 -12.809 1.00 0.00 C ATOM 1785 NZ LYS A 112 12.467 13.750 -11.857 1.00 0.00 N ATOM 0 H LYS A 112 8.108 9.114 -16.506 1.00 0.00 H new ATOM 0 HA LYS A 112 7.176 11.556 -15.118 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.762 10.492 -13.510 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.993 10.469 -14.757 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.820 13.005 -14.887 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.718 12.956 -13.525 1.00 0.00 H new ATOM 0 HD2 LYS A 112 10.439 11.987 -12.071 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.527 11.752 -13.425 1.00 0.00 H new ATOM 0 HE2 LYS A 112 11.658 14.233 -13.759 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.554 14.477 -12.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.645 14.697 -11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.238 13.092 -11.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.317 13.416 -12.355 1.00 0.00 H new