USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 42 GLN : amide:sc= -1.46 K(o=-3.4,f=-9.4!) USER MOD Set 2.2: A 45 MET CE :methyl -156:sc= -1.98 (180deg=-0.0554) USER MOD Set 2.3: A 49 HIS : no HD1:sc= 0 K(o=-3.4,f=-4.9) USER MOD Set 3.1: A 20 MET CE :methyl -177:sc= -1.86 (180deg=-1.84) USER MOD Set 3.2: A 23 LYS NZ :NH3+ 131:sc= -0.981 (180deg=-2.14!) USER MOD Set 3.3: A 63 MET CE :methyl 178:sc= -0.0257 (180deg=-0.0378) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.707 K(o=-0.71,f=-4!) USER MOD Single : A 32 ASN : amide:sc= 1.18 K(o=1.2,f=-4.6!) USER MOD Single : A 35 CYS SG : rot -65:sc= -3! USER MOD Single : A 36 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.11) USER MOD Single : A 38 ASN : amide:sc= -3.1! C(o=-3.1!,f=-4.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -120:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0066) USER MOD Single : A 79 SER OG : rot 41:sc= 1.2 USER MOD Single : A 83 THR OG1 : rot -44:sc= 0.785 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.088 USER MOD Single : A 100 GLN : amide:sc= -2.76 X(o=-2.8,f=-2.6) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.846 11.776 15.074 1.00 0.00 N ATOM 285 CA TYR A 18 5.970 11.298 15.858 1.00 0.00 C ATOM 286 C TYR A 18 6.347 9.837 16.243 1.00 0.00 C ATOM 287 O TYR A 18 7.478 9.640 16.686 1.00 0.00 O ATOM 288 CB TYR A 18 5.742 12.032 17.242 1.00 0.00 C ATOM 289 CG TYR A 18 4.498 11.603 18.101 1.00 0.00 C ATOM 290 CD1 TYR A 18 3.316 11.012 17.612 1.00 0.00 C ATOM 291 CD2 TYR A 18 4.531 11.828 19.474 1.00 0.00 C ATOM 292 CE1 TYR A 18 2.253 10.652 18.428 1.00 0.00 C ATOM 293 CE2 TYR A 18 3.497 11.435 20.304 1.00 0.00 C ATOM 294 CZ TYR A 18 2.365 10.847 19.787 1.00 0.00 C ATOM 295 OH TYR A 18 1.331 10.454 20.656 1.00 0.00 O ATOM 0 HA TYR A 18 6.786 11.473 15.157 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.635 11.887 17.850 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.661 13.101 17.045 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.233 10.830 16.551 1.00 0.00 H new ATOM 0 HD2 TYR A 18 5.389 12.324 19.904 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.355 10.227 18.005 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.579 11.591 21.370 1.00 0.00 H new ATOM 0 HH TYR A 18 1.581 10.667 21.579 1.00 0.00 H new ATOM 305 N ASP A 19 5.486 8.790 16.153 1.00 0.00 N ATOM 306 CA ASP A 19 5.788 7.404 16.561 1.00 0.00 C ATOM 307 C ASP A 19 6.682 6.607 15.567 1.00 0.00 C ATOM 308 O ASP A 19 7.437 7.161 14.773 1.00 0.00 O ATOM 309 CB ASP A 19 4.426 6.676 16.833 1.00 0.00 C ATOM 310 CG ASP A 19 4.520 5.503 17.822 1.00 0.00 C ATOM 311 OD1 ASP A 19 4.991 5.730 18.967 1.00 0.00 O ATOM 312 OD2 ASP A 19 4.113 4.373 17.441 1.00 0.00 O ATOM 0 H ASP A 19 4.541 8.895 15.785 1.00 0.00 H new ATOM 0 HA ASP A 19 6.396 7.449 17.465 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.710 7.403 17.217 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.030 6.307 15.887 1.00 0.00 H new ATOM 317 N MET A 20 6.576 5.245 15.525 1.00 0.00 N ATOM 318 CA MET A 20 7.275 4.245 14.681 1.00 0.00 C ATOM 319 C MET A 20 7.166 4.468 13.170 1.00 0.00 C ATOM 320 O MET A 20 7.981 4.074 12.340 1.00 0.00 O ATOM 321 CB MET A 20 7.147 2.778 15.198 1.00 0.00 C ATOM 322 CG MET A 20 8.477 2.013 15.330 1.00 0.00 C ATOM 323 SD MET A 20 8.934 1.071 13.843 1.00 0.00 S ATOM 324 CE MET A 20 10.246 2.194 13.297 1.00 0.00 C ATOM 0 H MET A 20 5.924 4.777 16.155 1.00 0.00 H new ATOM 0 HA MET A 20 8.336 4.449 14.828 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.657 2.794 16.171 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.494 2.226 14.521 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.272 2.723 15.558 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.409 1.328 16.176 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.653 1.844 12.348 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.837 3.196 13.169 1.00 0.00 H new ATOM 0 HE3 MET A 20 11.039 2.218 14.045 1.00 0.00 H new ATOM 334 N VAL A 21 6.099 5.199 12.817 1.00 0.00 N ATOM 335 CA VAL A 21 5.753 5.751 11.484 1.00 0.00 C ATOM 336 C VAL A 21 6.747 6.688 10.790 1.00 0.00 C ATOM 337 O VAL A 21 6.829 6.643 9.565 1.00 0.00 O ATOM 338 CB VAL A 21 4.359 6.415 11.515 1.00 0.00 C ATOM 339 CG1 VAL A 21 3.350 5.490 12.223 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.372 7.762 12.281 1.00 0.00 C ATOM 0 H VAL A 21 5.391 5.444 13.510 1.00 0.00 H new ATOM 0 HA VAL A 21 5.781 4.856 10.862 1.00 0.00 H new ATOM 0 HB VAL A 21 4.074 6.594 10.478 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.370 5.966 12.240 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.284 4.544 11.686 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.681 5.305 13.245 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.371 8.193 12.277 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.690 7.593 13.310 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.065 8.450 11.796 1.00 0.00 H new ATOM 350 N VAL A 22 7.538 7.556 11.501 1.00 0.00 N ATOM 351 CA VAL A 22 8.522 8.506 10.916 1.00 0.00 C ATOM 352 C VAL A 22 9.662 7.843 10.122 1.00 0.00 C ATOM 353 O VAL A 22 10.131 8.336 9.100 1.00 0.00 O ATOM 354 CB VAL A 22 9.108 9.489 11.943 1.00 0.00 C ATOM 355 CG1 VAL A 22 9.711 10.745 11.274 1.00 0.00 C ATOM 356 CG2 VAL A 22 8.000 9.930 12.905 1.00 0.00 C ATOM 0 H VAL A 22 7.501 7.609 12.519 1.00 0.00 H new ATOM 0 HA VAL A 22 7.920 9.069 10.203 1.00 0.00 H new ATOM 0 HB VAL A 22 9.908 8.972 12.473 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.112 11.408 12.040 1.00 0.00 H new ATOM 0 HG12 VAL A 22 10.511 10.448 10.597 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.935 11.266 10.713 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.409 10.627 13.636 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.204 10.419 12.343 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.598 9.058 13.421 1.00 0.00 H new ATOM 366 N LYS A 23 10.100 6.658 10.599 1.00 0.00 N ATOM 367 CA LYS A 23 11.109 5.762 10.032 1.00 0.00 C ATOM 368 C LYS A 23 10.647 4.988 8.799 1.00 0.00 C ATOM 369 O LYS A 23 11.371 4.830 7.821 1.00 0.00 O ATOM 370 CB LYS A 23 11.601 4.794 11.144 1.00 0.00 C ATOM 371 CG LYS A 23 12.414 5.431 12.300 1.00 0.00 C ATOM 372 CD LYS A 23 11.762 6.569 13.117 1.00 0.00 C ATOM 373 CE LYS A 23 10.418 6.229 13.778 1.00 0.00 C ATOM 374 NZ LYS A 23 10.646 5.334 14.932 1.00 0.00 N ATOM 0 H LYS A 23 9.718 6.279 11.466 1.00 0.00 H new ATOM 0 HA LYS A 23 11.926 6.388 9.674 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.732 4.295 11.572 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.215 4.023 10.679 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.682 4.635 12.995 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.344 5.815 11.880 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.460 6.879 13.895 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.616 7.426 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.921 7.142 14.106 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.758 5.748 13.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.136 5.700 15.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.299 4.380 14.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.664 5.292 15.143 1.00 0.00 H new ATOM 388 N ILE A 24 9.374 4.525 8.839 1.00 0.00 N ATOM 389 CA ILE A 24 8.623 3.822 7.802 1.00 0.00 C ATOM 390 C ILE A 24 8.120 4.720 6.671 1.00 0.00 C ATOM 391 O ILE A 24 8.136 4.278 5.529 1.00 0.00 O ATOM 392 CB ILE A 24 7.689 2.738 8.342 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.449 1.366 8.350 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.320 2.669 7.596 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.813 0.422 9.382 1.00 0.00 C ATOM 0 H ILE A 24 8.808 4.652 9.678 1.00 0.00 H new ATOM 0 HA ILE A 24 9.343 3.213 7.255 1.00 0.00 H new ATOM 0 HB ILE A 24 7.419 2.998 9.365 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.412 0.914 7.359 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.501 1.524 8.589 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.708 1.879 8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.803 3.624 7.695 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.491 2.456 6.541 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.346 -0.529 9.382 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.874 0.872 10.373 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.768 0.252 9.124 1.00 0.00 H new ATOM 407 N ILE A 25 7.705 6.015 6.874 1.00 0.00 N ATOM 408 CA ILE A 25 7.341 6.990 5.798 1.00 0.00 C ATOM 409 C ILE A 25 8.428 7.169 4.718 1.00 0.00 C ATOM 410 O ILE A 25 8.125 7.374 3.546 1.00 0.00 O ATOM 411 CB ILE A 25 6.729 8.340 6.235 1.00 0.00 C ATOM 412 CG1 ILE A 25 7.619 9.078 7.261 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.295 8.078 6.749 1.00 0.00 C ATOM 414 CD1 ILE A 25 6.998 10.315 7.933 1.00 0.00 C ATOM 0 H ILE A 25 7.614 6.412 7.809 1.00 0.00 H new ATOM 0 HA ILE A 25 6.499 6.474 5.338 1.00 0.00 H new ATOM 0 HB ILE A 25 6.676 9.016 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.902 8.371 8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.537 9.385 6.760 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.844 9.019 7.063 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.697 7.637 5.951 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.332 7.393 7.596 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.714 10.748 8.631 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.742 11.052 7.172 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.097 10.022 8.472 1.00 0.00 H new ATOM 426 N ASP A 26 9.734 6.985 5.095 1.00 0.00 N ATOM 427 CA ASP A 26 10.882 6.918 4.184 1.00 0.00 C ATOM 428 C ASP A 26 10.887 5.733 3.183 1.00 0.00 C ATOM 429 O ASP A 26 11.462 5.868 2.112 1.00 0.00 O ATOM 430 CB ASP A 26 12.233 6.902 4.958 1.00 0.00 C ATOM 431 CG ASP A 26 12.314 8.110 5.896 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.246 9.262 5.388 1.00 0.00 O ATOM 433 OD2 ASP A 26 12.448 7.896 7.130 1.00 0.00 O ATOM 0 H ASP A 26 10.004 6.878 6.073 1.00 0.00 H new ATOM 0 HA ASP A 26 10.772 7.828 3.594 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.322 5.979 5.531 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.065 6.921 4.254 1.00 0.00 H new ATOM 438 N VAL A 27 10.207 4.571 3.497 1.00 0.00 N ATOM 439 CA VAL A 27 10.029 3.331 2.702 1.00 0.00 C ATOM 440 C VAL A 27 9.083 3.585 1.514 1.00 0.00 C ATOM 441 O VAL A 27 9.454 3.438 0.354 1.00 0.00 O ATOM 442 CB VAL A 27 9.502 2.202 3.648 1.00 0.00 C ATOM 443 CG1 VAL A 27 8.882 0.919 3.075 1.00 0.00 C ATOM 444 CG2 VAL A 27 10.604 1.668 4.575 1.00 0.00 C ATOM 0 H VAL A 27 9.734 4.489 4.397 1.00 0.00 H new ATOM 0 HA VAL A 27 10.981 3.011 2.279 1.00 0.00 H new ATOM 0 HB VAL A 27 8.697 2.773 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.580 0.264 3.892 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.010 1.174 2.473 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.616 0.407 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.194 0.886 5.214 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.417 1.258 3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.984 2.481 5.194 1.00 0.00 H new ATOM 454 N LEU A 28 7.835 4.090 1.732 1.00 0.00 N ATOM 455 CA LEU A 28 6.848 4.490 0.712 1.00 0.00 C ATOM 456 C LEU A 28 7.200 5.739 -0.121 1.00 0.00 C ATOM 457 O LEU A 28 7.201 5.670 -1.355 1.00 0.00 O ATOM 458 CB LEU A 28 5.448 4.742 1.354 1.00 0.00 C ATOM 459 CG LEU A 28 4.670 3.479 1.813 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.388 2.628 2.870 1.00 0.00 C ATOM 461 CD2 LEU A 28 3.296 3.845 2.393 1.00 0.00 C ATOM 0 H LEU A 28 7.481 4.233 2.678 1.00 0.00 H new ATOM 0 HA LEU A 28 6.847 3.640 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.578 5.397 2.216 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.832 5.281 0.634 1.00 0.00 H new ATOM 0 HG LEU A 28 4.582 2.890 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.768 1.769 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 28 6.341 2.281 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.565 3.229 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.779 2.937 2.704 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.427 4.501 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.705 4.357 1.633 1.00 0.00 H new ATOM 473 N ARG A 29 7.563 6.897 0.519 1.00 0.00 N ATOM 474 CA ARG A 29 8.003 8.186 -0.092 1.00 0.00 C ATOM 475 C ARG A 29 9.138 8.106 -1.125 1.00 0.00 C ATOM 476 O ARG A 29 9.261 8.960 -1.993 1.00 0.00 O ATOM 477 CB ARG A 29 8.317 9.203 1.031 1.00 0.00 C ATOM 478 CG ARG A 29 8.501 10.674 0.605 1.00 0.00 C ATOM 479 CD ARG A 29 8.657 11.629 1.801 1.00 0.00 C ATOM 480 NE ARG A 29 7.364 11.641 2.577 1.00 0.00 N ATOM 481 CZ ARG A 29 7.278 11.841 3.930 1.00 0.00 C ATOM 482 NH1 ARG A 29 8.393 12.052 4.685 1.00 0.00 N ATOM 483 NH2 ARG A 29 6.051 11.821 4.529 1.00 0.00 N ATOM 0 H ARG A 29 7.554 6.953 1.537 1.00 0.00 H new ATOM 0 HA ARG A 29 7.160 8.523 -0.695 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.511 9.160 1.764 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.226 8.880 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.380 10.754 -0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.643 10.984 0.008 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.479 11.305 2.440 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.900 12.633 1.454 1.00 0.00 H new ATOM 0 HE ARG A 29 6.497 11.490 2.061 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.313 12.063 4.244 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.308 12.199 5.691 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.213 11.659 3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.972 11.968 5.535 1.00 0.00 H new ATOM 497 N SER A 30 10.001 7.065 -0.999 1.00 0.00 N ATOM 498 CA SER A 30 11.200 6.738 -1.805 1.00 0.00 C ATOM 499 C SER A 30 10.869 6.213 -3.177 1.00 0.00 C ATOM 500 O SER A 30 11.326 6.760 -4.178 1.00 0.00 O ATOM 501 CB SER A 30 12.166 5.748 -1.035 1.00 0.00 C ATOM 502 OG SER A 30 12.546 4.488 -1.616 1.00 0.00 O ATOM 0 H SER A 30 9.860 6.372 -0.264 1.00 0.00 H new ATOM 0 HA SER A 30 11.725 7.682 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.086 6.295 -0.827 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.701 5.530 -0.074 1.00 0.00 H new ATOM 0 HG SER A 30 13.145 4.012 -1.003 1.00 0.00 H new ATOM 508 N HIS A 31 9.985 5.161 -3.229 1.00 0.00 N ATOM 509 CA HIS A 31 9.347 4.509 -4.366 1.00 0.00 C ATOM 510 C HIS A 31 8.554 5.545 -5.138 1.00 0.00 C ATOM 511 O HIS A 31 8.675 5.686 -6.348 1.00 0.00 O ATOM 512 CB HIS A 31 8.356 3.387 -3.893 1.00 0.00 C ATOM 513 CG HIS A 31 8.958 2.181 -3.232 1.00 0.00 C ATOM 514 ND1 HIS A 31 8.930 1.991 -1.870 1.00 0.00 N ATOM 515 CD2 HIS A 31 9.364 0.988 -3.751 1.00 0.00 C ATOM 516 CE1 HIS A 31 9.295 0.711 -1.638 1.00 0.00 C ATOM 517 NE2 HIS A 31 9.569 0.064 -2.741 1.00 0.00 N ATOM 0 H HIS A 31 9.686 4.719 -2.360 1.00 0.00 H new ATOM 0 HA HIS A 31 10.123 4.059 -4.985 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.644 3.834 -3.199 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.787 3.050 -4.760 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.680 2.686 -1.167 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.506 0.791 -4.803 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.354 0.272 -0.653 1.00 0.00 H new ATOM 525 N ASN A 32 7.786 6.366 -4.364 1.00 0.00 N ATOM 526 CA ASN A 32 6.942 7.466 -4.784 1.00 0.00 C ATOM 527 C ASN A 32 7.555 8.630 -5.581 1.00 0.00 C ATOM 528 O ASN A 32 6.868 9.233 -6.391 1.00 0.00 O ATOM 529 CB ASN A 32 5.981 7.924 -3.652 1.00 0.00 C ATOM 530 CG ASN A 32 4.829 6.924 -3.525 1.00 0.00 C ATOM 531 OD1 ASN A 32 3.862 7.056 -4.281 1.00 0.00 O ATOM 532 ND2 ASN A 32 4.886 5.910 -2.629 1.00 0.00 N ATOM 0 H ASN A 32 7.757 6.244 -3.352 1.00 0.00 H new ATOM 0 HA ASN A 32 6.364 7.000 -5.582 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.521 7.994 -2.708 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.591 8.918 -3.871 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.121 5.238 -2.570 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.694 5.818 -2.013 1.00 0.00 H new ATOM 539 N GLU A 33 8.844 9.026 -5.435 1.00 0.00 N ATOM 540 CA GLU A 33 9.495 9.981 -6.354 1.00 0.00 C ATOM 541 C GLU A 33 9.844 9.436 -7.731 1.00 0.00 C ATOM 542 O GLU A 33 9.586 10.038 -8.767 1.00 0.00 O ATOM 543 CB GLU A 33 10.766 10.599 -5.698 1.00 0.00 C ATOM 544 CG GLU A 33 10.556 11.077 -4.251 1.00 0.00 C ATOM 545 CD GLU A 33 11.749 11.920 -3.803 1.00 0.00 C ATOM 546 OE1 GLU A 33 12.882 11.370 -3.766 1.00 0.00 O ATOM 547 OE2 GLU A 33 11.542 13.123 -3.488 1.00 0.00 O ATOM 0 H GLU A 33 9.451 8.695 -4.685 1.00 0.00 H new ATOM 0 HA GLU A 33 8.737 10.744 -6.528 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.566 9.859 -5.712 1.00 0.00 H new ATOM 0 HB3 GLU A 33 11.101 11.442 -6.303 1.00 0.00 H new ATOM 0 HG2 GLU A 33 9.639 11.663 -4.182 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.437 10.219 -3.589 1.00 0.00 H new ATOM 554 N ALA A 34 10.424 8.222 -7.749 1.00 0.00 N ATOM 555 CA ALA A 34 10.810 7.429 -8.899 1.00 0.00 C ATOM 556 C ALA A 34 9.648 6.819 -9.670 1.00 0.00 C ATOM 557 O ALA A 34 9.734 6.553 -10.868 1.00 0.00 O ATOM 558 CB ALA A 34 11.837 6.399 -8.427 1.00 0.00 C ATOM 0 H ALA A 34 10.648 7.742 -6.877 1.00 0.00 H new ATOM 0 HA ALA A 34 11.258 8.088 -9.643 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.149 5.784 -9.271 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.704 6.913 -8.012 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.391 5.765 -7.661 1.00 0.00 H new ATOM 564 N CYS A 35 8.506 6.598 -8.963 1.00 0.00 N ATOM 565 CA CYS A 35 7.264 5.993 -9.416 1.00 0.00 C ATOM 566 C CYS A 35 6.587 6.607 -10.600 1.00 0.00 C ATOM 567 O CYS A 35 6.007 5.875 -11.395 1.00 0.00 O ATOM 568 CB CYS A 35 6.178 5.996 -8.311 1.00 0.00 C ATOM 569 SG CYS A 35 5.167 7.514 -7.918 1.00 0.00 S ATOM 0 H CYS A 35 8.446 6.868 -7.981 1.00 0.00 H new ATOM 0 HA CYS A 35 7.622 5.002 -9.695 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.472 5.205 -8.563 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.671 5.699 -7.385 1.00 0.00 H new ATOM 0 HG CYS A 35 5.945 8.443 -7.447 1.00 0.00 H new ATOM 575 N GLN A 36 6.706 7.981 -10.720 1.00 0.00 N ATOM 576 CA GLN A 36 6.152 8.825 -11.795 1.00 0.00 C ATOM 577 C GLN A 36 6.711 8.530 -13.187 1.00 0.00 C ATOM 578 O GLN A 36 6.261 9.068 -14.196 1.00 0.00 O ATOM 579 CB GLN A 36 6.197 10.343 -11.444 1.00 0.00 C ATOM 580 CG GLN A 36 7.601 10.949 -11.215 1.00 0.00 C ATOM 581 CD GLN A 36 8.334 11.323 -12.510 1.00 0.00 C ATOM 582 OE1 GLN A 36 7.980 12.265 -13.221 1.00 0.00 O ATOM 583 NE2 GLN A 36 9.421 10.566 -12.815 1.00 0.00 N ATOM 0 H GLN A 36 7.217 8.531 -10.029 1.00 0.00 H new ATOM 0 HA GLN A 36 5.101 8.540 -11.854 1.00 0.00 H new ATOM 0 HB2 GLN A 36 5.713 10.895 -12.249 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.603 10.504 -10.544 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.505 11.839 -10.593 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.208 10.235 -10.658 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.690 9.792 -12.207 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.967 10.772 -13.651 1.00 0.00 H new ATOM 592 N GLU A 37 7.799 7.723 -13.180 1.00 0.00 N ATOM 593 CA GLU A 37 8.634 7.318 -14.311 1.00 0.00 C ATOM 594 C GLU A 37 8.442 5.876 -14.765 1.00 0.00 C ATOM 595 O GLU A 37 8.842 5.494 -15.862 1.00 0.00 O ATOM 596 CB GLU A 37 10.133 7.555 -13.914 1.00 0.00 C ATOM 597 CG GLU A 37 11.152 6.392 -13.945 1.00 0.00 C ATOM 598 CD GLU A 37 12.489 6.767 -13.297 1.00 0.00 C ATOM 599 OE1 GLU A 37 12.630 7.915 -12.798 1.00 0.00 O ATOM 600 OE2 GLU A 37 13.394 5.890 -13.296 1.00 0.00 O ATOM 0 H GLU A 37 8.133 7.311 -12.308 1.00 0.00 H new ATOM 0 HA GLU A 37 8.331 7.925 -15.164 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.518 8.336 -14.569 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.137 7.958 -12.901 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.730 5.530 -13.428 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.324 6.091 -14.978 1.00 0.00 H new ATOM 607 N ASN A 38 7.897 5.008 -13.883 1.00 0.00 N ATOM 608 CA ASN A 38 7.837 3.568 -14.037 1.00 0.00 C ATOM 609 C ASN A 38 6.391 3.169 -14.188 1.00 0.00 C ATOM 610 O ASN A 38 5.494 4.001 -14.118 1.00 0.00 O ATOM 611 CB ASN A 38 8.614 2.862 -12.850 1.00 0.00 C ATOM 612 CG ASN A 38 7.825 2.016 -11.850 1.00 0.00 C ATOM 613 OD1 ASN A 38 7.961 0.795 -11.916 1.00 0.00 O ATOM 614 ND2 ASN A 38 6.907 2.655 -11.073 1.00 0.00 N ATOM 0 H ASN A 38 7.473 5.324 -13.011 1.00 0.00 H new ATOM 0 HA ASN A 38 8.347 3.230 -14.939 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.379 2.223 -13.291 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.133 3.639 -12.288 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.268 2.115 -10.489 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.858 3.674 -11.075 1.00 0.00 H new ATOM 621 N LYS A 39 6.122 1.841 -14.304 1.00 0.00 N ATOM 622 CA LYS A 39 4.771 1.345 -14.188 1.00 0.00 C ATOM 623 C LYS A 39 4.262 1.231 -12.729 1.00 0.00 C ATOM 624 O LYS A 39 3.467 2.038 -12.295 1.00 0.00 O ATOM 625 CB LYS A 39 4.666 -0.022 -14.883 1.00 0.00 C ATOM 626 CG LYS A 39 5.760 -1.065 -14.535 1.00 0.00 C ATOM 627 CD LYS A 39 5.061 -2.251 -13.895 1.00 0.00 C ATOM 628 CE LYS A 39 5.351 -3.566 -14.613 1.00 0.00 C ATOM 629 NZ LYS A 39 4.800 -4.720 -13.870 1.00 0.00 N ATOM 0 H LYS A 39 6.827 1.124 -14.475 1.00 0.00 H new ATOM 0 HA LYS A 39 4.131 2.081 -14.674 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.695 -0.453 -14.641 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.682 0.142 -15.961 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.297 -1.373 -15.432 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.496 -0.638 -13.853 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.375 -2.334 -12.854 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.985 -2.074 -13.891 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.922 -3.538 -15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.428 -3.688 -14.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.014 -5.598 -14.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.229 -4.760 -12.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.769 -4.614 -13.779 1.00 0.00 H new ATOM 643 N ASP A 40 4.744 0.260 -11.923 1.00 0.00 N ATOM 644 CA ASP A 40 4.514 0.069 -10.493 1.00 0.00 C ATOM 645 C ASP A 40 5.752 -0.657 -9.933 1.00 0.00 C ATOM 646 O ASP A 40 5.736 -1.870 -9.832 1.00 0.00 O ATOM 647 CB ASP A 40 3.140 -0.566 -10.052 1.00 0.00 C ATOM 648 CG ASP A 40 2.621 -1.618 -11.037 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.159 -2.757 -11.039 1.00 0.00 O ATOM 650 OD2 ASP A 40 1.668 -1.293 -11.796 1.00 0.00 O ATOM 0 H ASP A 40 5.354 -0.466 -12.298 1.00 0.00 H new ATOM 0 HA ASP A 40 4.395 1.056 -10.047 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.257 -1.023 -9.069 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.397 0.225 -9.950 1.00 0.00 H new ATOM 655 N LEU A 41 6.832 0.079 -9.529 1.00 0.00 N ATOM 656 CA LEU A 41 8.194 -0.182 -9.010 1.00 0.00 C ATOM 657 C LEU A 41 8.398 -1.275 -7.950 1.00 0.00 C ATOM 658 O LEU A 41 9.334 -2.064 -7.936 1.00 0.00 O ATOM 659 CB LEU A 41 8.496 1.177 -8.276 1.00 0.00 C ATOM 660 CG LEU A 41 9.878 1.779 -8.429 1.00 0.00 C ATOM 661 CD1 LEU A 41 9.749 3.298 -8.246 1.00 0.00 C ATOM 662 CD2 LEU A 41 10.856 1.223 -7.405 1.00 0.00 C ATOM 0 H LEU A 41 6.723 1.092 -9.579 1.00 0.00 H new ATOM 0 HA LEU A 41 8.809 -0.521 -9.843 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.771 1.913 -8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.313 1.029 -7.212 1.00 0.00 H new ATOM 0 HG LEU A 41 10.268 1.529 -9.416 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.730 3.762 -8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.075 3.700 -9.003 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.350 3.512 -7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.834 1.681 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.497 1.446 -6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.939 0.143 -7.530 1.00 0.00 H new ATOM 674 N GLN A 42 7.418 -1.223 -7.060 1.00 0.00 N ATOM 675 CA GLN A 42 6.942 -1.876 -5.870 1.00 0.00 C ATOM 676 C GLN A 42 5.794 -2.853 -6.177 1.00 0.00 C ATOM 677 O GLN A 42 4.873 -2.809 -5.359 1.00 0.00 O ATOM 678 CB GLN A 42 6.547 -0.773 -4.853 1.00 0.00 C ATOM 679 CG GLN A 42 6.339 -1.183 -3.385 1.00 0.00 C ATOM 680 CD GLN A 42 5.033 -0.552 -2.920 1.00 0.00 C ATOM 681 OE1 GLN A 42 4.985 0.556 -2.389 1.00 0.00 O ATOM 682 NE2 GLN A 42 3.912 -1.263 -3.167 1.00 0.00 N ATOM 0 H GLN A 42 6.743 -0.479 -7.238 1.00 0.00 H new ATOM 0 HA GLN A 42 7.726 -2.496 -5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.319 -0.004 -4.878 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.625 -0.310 -5.204 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.296 -2.268 -3.291 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.171 -0.842 -2.769 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.977 -2.180 -3.609 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.000 -0.883 -2.912 1.00 0.00 H new ATOM 691 N PRO A 43 5.645 -3.673 -7.288 1.00 0.00 N ATOM 692 CA PRO A 43 4.396 -4.237 -7.868 1.00 0.00 C ATOM 693 C PRO A 43 3.379 -4.849 -6.888 1.00 0.00 C ATOM 694 O PRO A 43 2.183 -4.734 -7.133 1.00 0.00 O ATOM 695 CB PRO A 43 4.885 -5.245 -8.943 1.00 0.00 C ATOM 696 CG PRO A 43 6.341 -5.538 -8.578 1.00 0.00 C ATOM 697 CD PRO A 43 6.803 -4.191 -8.027 1.00 0.00 C ATOM 0 HA PRO A 43 3.795 -3.424 -8.275 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.285 -6.155 -8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.807 -4.823 -9.945 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.425 -6.333 -7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.925 -5.847 -9.445 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.669 -4.306 -7.375 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.095 -3.514 -8.830 1.00 0.00 H new ATOM 705 N TYR A 44 3.868 -5.435 -5.769 1.00 0.00 N ATOM 706 CA TYR A 44 3.175 -5.943 -4.618 1.00 0.00 C ATOM 707 C TYR A 44 4.255 -6.071 -3.533 1.00 0.00 C ATOM 708 O TYR A 44 5.394 -6.428 -3.838 1.00 0.00 O ATOM 709 CB TYR A 44 2.588 -7.390 -4.808 1.00 0.00 C ATOM 710 CG TYR A 44 1.328 -7.487 -5.669 1.00 0.00 C ATOM 711 CD1 TYR A 44 0.071 -7.350 -5.092 1.00 0.00 C ATOM 712 CD2 TYR A 44 1.369 -7.800 -7.027 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.090 -7.617 -5.793 1.00 0.00 C ATOM 714 CE2 TYR A 44 0.206 -8.048 -7.737 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.020 -7.995 -7.115 1.00 0.00 C ATOM 716 OH TYR A 44 -2.182 -8.335 -7.843 1.00 0.00 O ATOM 0 H TYR A 44 4.874 -5.565 -5.666 1.00 0.00 H new ATOM 0 HA TYR A 44 2.341 -5.277 -4.397 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.359 -8.019 -5.253 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.366 -7.804 -3.824 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.001 -7.025 -4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 44 2.322 -7.850 -7.533 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.049 -7.529 -5.305 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.262 -8.285 -8.789 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.935 -8.574 -8.761 1.00 0.00 H new ATOM 726 N MET A 45 3.869 -5.839 -2.251 1.00 0.00 N ATOM 727 CA MET A 45 4.644 -6.047 -1.028 1.00 0.00 C ATOM 728 C MET A 45 3.731 -6.695 0.045 1.00 0.00 C ATOM 729 O MET A 45 2.545 -6.368 0.055 1.00 0.00 O ATOM 730 CB MET A 45 5.221 -4.726 -0.398 1.00 0.00 C ATOM 731 CG MET A 45 4.423 -3.422 -0.573 1.00 0.00 C ATOM 732 SD MET A 45 4.492 -2.326 0.874 1.00 0.00 S ATOM 733 CE MET A 45 5.302 -0.807 0.280 1.00 0.00 C ATOM 0 H MET A 45 2.938 -5.476 -2.045 1.00 0.00 H new ATOM 0 HA MET A 45 5.485 -6.678 -1.315 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.348 -4.896 0.671 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.215 -4.566 -0.816 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.805 -2.886 -1.442 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.382 -3.668 -0.782 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.761 -0.287 1.121 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.069 -1.065 -0.450 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.561 -0.158 -0.187 1.00 0.00 H new ATOM 743 N PRO A 46 4.153 -7.606 0.977 1.00 0.00 N ATOM 744 CA PRO A 46 3.378 -8.020 2.176 1.00 0.00 C ATOM 745 C PRO A 46 3.273 -6.877 3.233 1.00 0.00 C ATOM 746 O PRO A 46 4.012 -5.895 3.165 1.00 0.00 O ATOM 747 CB PRO A 46 4.282 -9.145 2.756 1.00 0.00 C ATOM 748 CG PRO A 46 5.715 -8.730 2.382 1.00 0.00 C ATOM 749 CD PRO A 46 5.478 -8.245 0.944 1.00 0.00 C ATOM 0 HA PRO A 46 2.354 -8.305 1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.164 -9.230 3.836 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.028 -10.116 2.330 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.105 -7.944 3.029 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.418 -9.562 2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.249 -7.541 0.632 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.500 -9.075 0.238 1.00 0.00 H new ATOM 757 N ILE A 47 2.412 -7.013 4.289 1.00 0.00 N ATOM 758 CA ILE A 47 2.263 -6.056 5.424 1.00 0.00 C ATOM 759 C ILE A 47 3.585 -5.867 6.224 1.00 0.00 C ATOM 760 O ILE A 47 4.021 -4.733 6.416 1.00 0.00 O ATOM 761 CB ILE A 47 0.977 -6.269 6.250 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.231 -6.090 5.292 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.909 -5.310 7.469 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.604 -6.216 5.967 1.00 0.00 C ATOM 0 H ILE A 47 1.787 -7.815 4.372 1.00 0.00 H new ATOM 0 HA ILE A 47 2.090 -5.070 4.992 1.00 0.00 H new ATOM 0 HB ILE A 47 0.964 -7.273 6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.161 -5.110 4.819 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.161 -6.833 4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.011 -5.492 8.024 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.766 -5.487 8.119 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.924 -4.277 7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.389 -6.077 5.224 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.700 -7.205 6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.700 -5.456 6.742 1.00 0.00 H new ATOM 776 N PRO A 48 4.285 -6.921 6.698 1.00 0.00 N ATOM 777 CA PRO A 48 5.695 -6.948 7.074 1.00 0.00 C ATOM 778 C PRO A 48 6.764 -6.407 6.082 1.00 0.00 C ATOM 779 O PRO A 48 7.886 -6.235 6.528 1.00 0.00 O ATOM 780 CB PRO A 48 5.972 -8.223 7.885 1.00 0.00 C ATOM 781 CG PRO A 48 4.620 -8.949 7.940 1.00 0.00 C ATOM 782 CD PRO A 48 3.710 -8.247 6.907 1.00 0.00 C ATOM 0 HA PRO A 48 5.874 -6.105 7.742 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.734 -8.839 7.407 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.335 -7.986 8.885 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.736 -10.006 7.701 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.189 -8.893 8.940 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.675 -8.808 5.973 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.686 -8.175 7.274 1.00 0.00 H new ATOM 790 N HIS A 49 6.581 -6.178 4.733 1.00 0.00 N ATOM 791 CA HIS A 49 7.639 -5.625 3.818 1.00 0.00 C ATOM 792 C HIS A 49 8.231 -4.303 4.302 1.00 0.00 C ATOM 793 O HIS A 49 9.440 -4.110 4.369 1.00 0.00 O ATOM 794 CB HIS A 49 7.094 -5.216 2.398 1.00 0.00 C ATOM 795 CG HIS A 49 8.029 -4.381 1.491 1.00 0.00 C ATOM 796 ND1 HIS A 49 7.874 -3.010 1.376 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.324 -4.619 1.139 1.00 0.00 C ATOM 798 CE1 HIS A 49 9.078 -2.490 1.028 1.00 0.00 C ATOM 799 NE2 HIS A 49 9.983 -3.430 0.856 1.00 0.00 N ATOM 0 H HIS A 49 5.700 -6.372 4.257 1.00 0.00 H new ATOM 0 HA HIS A 49 8.356 -6.446 3.792 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.831 -6.128 1.862 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.172 -4.653 2.540 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.776 -5.599 1.087 1.00 0.00 H new ATOM 0 HE1 HIS A 49 9.270 -1.434 0.907 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.957 -3.311 0.576 1.00 0.00 H new ATOM 807 N VAL A 50 7.308 -3.385 4.694 1.00 0.00 N ATOM 808 CA VAL A 50 7.572 -2.074 5.283 1.00 0.00 C ATOM 809 C VAL A 50 8.216 -2.210 6.653 1.00 0.00 C ATOM 810 O VAL A 50 9.117 -1.454 6.979 1.00 0.00 O ATOM 811 CB VAL A 50 6.431 -1.076 5.098 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.769 -1.314 3.731 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.515 -0.953 6.324 1.00 0.00 C ATOM 0 H VAL A 50 6.309 -3.564 4.596 1.00 0.00 H new ATOM 0 HA VAL A 50 8.343 -1.564 4.706 1.00 0.00 H new ATOM 0 HB VAL A 50 6.822 -0.059 5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.953 -0.604 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.507 -1.177 2.941 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.377 -2.330 3.689 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.728 -0.227 6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.066 -1.922 6.542 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.099 -0.623 7.183 1.00 0.00 H new ATOM 823 N ARG A 51 7.861 -3.291 7.424 1.00 0.00 N ATOM 824 CA ARG A 51 8.611 -3.794 8.579 1.00 0.00 C ATOM 825 C ARG A 51 10.022 -4.337 8.254 1.00 0.00 C ATOM 826 O ARG A 51 10.941 -4.097 9.020 1.00 0.00 O ATOM 827 CB ARG A 51 7.800 -4.747 9.527 1.00 0.00 C ATOM 828 CG ARG A 51 8.164 -6.256 9.641 1.00 0.00 C ATOM 829 CD ARG A 51 9.422 -6.775 10.380 1.00 0.00 C ATOM 830 NE ARG A 51 9.355 -8.280 10.438 1.00 0.00 N ATOM 831 CZ ARG A 51 9.666 -9.111 9.393 1.00 0.00 C ATOM 832 NH1 ARG A 51 10.116 -8.618 8.204 1.00 0.00 N ATOM 833 NH2 ARG A 51 9.534 -10.461 9.558 1.00 0.00 N ATOM 0 H ARG A 51 7.019 -3.836 7.236 1.00 0.00 H new ATOM 0 HA ARG A 51 8.782 -2.888 9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.859 -4.327 10.531 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.756 -4.692 9.220 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.309 -6.744 10.109 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.228 -6.635 8.621 1.00 0.00 H new ATOM 0 HD2 ARG A 51 10.325 -6.456 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.469 -6.359 11.386 1.00 0.00 H new ATOM 0 HE ARG A 51 9.058 -8.709 11.314 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.227 -7.612 8.078 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.341 -9.255 7.440 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.208 -10.836 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.761 -11.093 8.790 1.00 0.00 H new ATOM 847 N ASP A 52 10.343 -5.012 7.103 1.00 0.00 N ATOM 848 CA ASP A 52 11.718 -5.514 6.765 1.00 0.00 C ATOM 849 C ASP A 52 12.876 -4.454 6.789 1.00 0.00 C ATOM 850 O ASP A 52 14.070 -4.753 6.805 1.00 0.00 O ATOM 851 CB ASP A 52 11.696 -6.301 5.417 1.00 0.00 C ATOM 852 CG ASP A 52 12.860 -7.292 5.269 1.00 0.00 C ATOM 853 OD1 ASP A 52 12.968 -8.210 6.126 1.00 0.00 O ATOM 854 OD2 ASP A 52 13.649 -7.141 4.300 1.00 0.00 O ATOM 0 H ASP A 52 9.653 -5.223 6.382 1.00 0.00 H new ATOM 0 HA ASP A 52 11.971 -6.182 7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.754 -6.844 5.337 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.726 -5.591 4.590 1.00 0.00 H new ATOM 859 N SER A 53 12.438 -3.177 6.824 1.00 0.00 N ATOM 860 CA SER A 53 13.115 -1.921 7.023 1.00 0.00 C ATOM 861 C SER A 53 13.226 -1.398 8.472 1.00 0.00 C ATOM 862 O SER A 53 14.121 -0.587 8.707 1.00 0.00 O ATOM 863 CB SER A 53 12.298 -0.845 6.293 1.00 0.00 C ATOM 864 OG SER A 53 12.926 0.442 6.255 1.00 0.00 O ATOM 0 H SER A 53 11.442 -3.004 6.690 1.00 0.00 H new ATOM 0 HA SER A 53 14.130 -2.104 6.669 1.00 0.00 H new ATOM 0 HB2 SER A 53 12.112 -1.177 5.272 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.327 -0.749 6.779 1.00 0.00 H new ATOM 0 HG SER A 53 12.351 1.100 6.698 1.00 0.00 H new ATOM 870 N LEU A 54 12.267 -1.730 9.423 1.00 0.00 N ATOM 871 CA LEU A 54 12.091 -1.055 10.731 1.00 0.00 C ATOM 872 C LEU A 54 13.251 -1.343 11.679 1.00 0.00 C ATOM 873 O LEU A 54 13.661 -0.508 12.481 1.00 0.00 O ATOM 874 CB LEU A 54 10.682 -1.192 11.462 1.00 0.00 C ATOM 875 CG LEU A 54 10.062 -2.440 12.171 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.541 -2.333 12.075 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.477 -3.810 11.732 1.00 0.00 C ATOM 0 H LEU A 54 11.598 -2.486 9.277 1.00 0.00 H new ATOM 0 HA LEU A 54 12.099 -0.003 10.446 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.684 -0.411 12.222 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.947 -0.904 10.710 1.00 0.00 H new ATOM 0 HG LEU A 54 10.464 -2.382 13.182 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.084 -3.194 12.563 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.209 -1.418 12.566 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.243 -2.310 11.027 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.952 -4.557 12.327 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.229 -3.945 10.679 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.552 -3.926 11.870 1.00 0.00 H new ATOM 889 N ILE A 55 13.785 -2.571 11.502 1.00 0.00 N ATOM 890 CA ILE A 55 14.990 -3.182 12.078 1.00 0.00 C ATOM 891 C ILE A 55 15.358 -4.266 11.048 1.00 0.00 C ATOM 892 O ILE A 55 14.457 -4.912 10.521 1.00 0.00 O ATOM 893 CB ILE A 55 14.832 -3.720 13.521 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.524 -2.665 14.598 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.045 -4.530 14.014 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.045 -2.775 14.956 1.00 0.00 C ATOM 0 H ILE A 55 13.322 -3.231 10.877 1.00 0.00 H new ATOM 0 HA ILE A 55 15.781 -2.447 12.227 1.00 0.00 H new ATOM 0 HB ILE A 55 13.958 -4.362 13.410 1.00 0.00 H new ATOM 0 HG12 ILE A 55 15.143 -2.829 15.480 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.753 -1.665 14.229 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.863 -4.875 15.032 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.198 -5.390 13.362 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.934 -3.900 13.998 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.799 -2.037 15.719 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.441 -2.593 14.067 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.836 -3.774 15.338 1.00 0.00 H new ATOM 908 N GLN A 56 16.657 -4.501 10.713 1.00 0.00 N ATOM 909 CA GLN A 56 17.148 -5.500 9.737 1.00 0.00 C ATOM 910 C GLN A 56 17.545 -6.963 10.114 1.00 0.00 C ATOM 911 O GLN A 56 17.347 -7.823 9.253 1.00 0.00 O ATOM 912 CB GLN A 56 18.249 -4.892 8.821 1.00 0.00 C ATOM 913 CG GLN A 56 17.801 -3.552 8.187 1.00 0.00 C ATOM 914 CD GLN A 56 18.480 -3.348 6.832 1.00 0.00 C ATOM 915 OE1 GLN A 56 19.452 -2.606 6.683 1.00 0.00 O ATOM 916 NE2 GLN A 56 17.957 -4.077 5.811 1.00 0.00 N ATOM 0 H GLN A 56 17.419 -3.973 11.138 1.00 0.00 H new ATOM 0 HA GLN A 56 16.187 -5.697 9.261 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.157 -4.732 9.402 1.00 0.00 H new ATOM 0 HB3 GLN A 56 18.497 -5.602 8.032 1.00 0.00 H new ATOM 0 HG2 GLN A 56 16.718 -3.546 8.063 1.00 0.00 H new ATOM 0 HG3 GLN A 56 18.050 -2.726 8.853 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.151 -4.680 5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.371 -4.021 4.880 1.00 0.00 H new ATOM 925 N PRO A 57 18.180 -7.354 11.250 1.00 0.00 N ATOM 926 CA PRO A 57 18.682 -8.725 11.522 1.00 0.00 C ATOM 927 C PRO A 57 17.607 -9.689 12.077 1.00 0.00 C ATOM 928 O PRO A 57 16.503 -9.756 11.563 1.00 0.00 O ATOM 929 CB PRO A 57 19.761 -8.427 12.590 1.00 0.00 C ATOM 930 CG PRO A 57 19.112 -7.297 13.390 1.00 0.00 C ATOM 931 CD PRO A 57 18.666 -6.401 12.238 1.00 0.00 C ATOM 0 HA PRO A 57 19.030 -9.236 10.624 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.972 -9.298 13.211 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.705 -8.119 12.141 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.278 -7.641 14.001 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.814 -6.801 14.060 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.885 -5.706 12.546 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.490 -5.802 11.850 1.00 0.00 H new ATOM 939 N HIS A 58 17.904 -10.452 13.171 1.00 0.00 N ATOM 940 CA HIS A 58 17.019 -11.395 13.880 1.00 0.00 C ATOM 941 C HIS A 58 15.979 -10.705 14.770 1.00 0.00 C ATOM 942 O HIS A 58 14.896 -11.221 15.018 1.00 0.00 O ATOM 943 CB HIS A 58 17.815 -12.435 14.711 1.00 0.00 C ATOM 944 CG HIS A 58 18.694 -13.328 13.875 1.00 0.00 C ATOM 945 ND1 HIS A 58 19.620 -14.184 14.429 1.00 0.00 N ATOM 946 CD2 HIS A 58 18.734 -13.562 12.532 1.00 0.00 C ATOM 947 CE1 HIS A 58 20.177 -14.883 13.408 1.00 0.00 C ATOM 948 NE2 HIS A 58 19.673 -14.539 12.241 1.00 0.00 N ATOM 0 H HIS A 58 18.829 -10.414 13.599 1.00 0.00 H new ATOM 0 HA HIS A 58 16.478 -11.916 13.090 1.00 0.00 H new ATOM 0 HB2 HIS A 58 18.433 -11.910 15.440 1.00 0.00 H new ATOM 0 HB3 HIS A 58 17.114 -13.052 15.273 1.00 0.00 H new ATOM 0 HD2 HIS A 58 18.121 -13.058 11.799 1.00 0.00 H new ATOM 0 HE1 HIS A 58 20.943 -15.633 13.537 1.00 0.00 H new ATOM 0 HE2 HIS A 58 19.920 -14.910 11.324 1.00 0.00 H new ATOM 956 N ASP A 59 16.316 -9.482 15.249 1.00 0.00 N ATOM 957 CA ASP A 59 15.564 -8.541 16.051 1.00 0.00 C ATOM 958 C ASP A 59 14.652 -7.672 15.200 1.00 0.00 C ATOM 959 O ASP A 59 14.038 -6.744 15.712 1.00 0.00 O ATOM 960 CB ASP A 59 16.545 -7.618 16.827 1.00 0.00 C ATOM 961 CG ASP A 59 17.437 -8.459 17.746 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.885 -9.104 18.678 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.678 -8.464 17.527 1.00 0.00 O ATOM 0 H ASP A 59 17.242 -9.105 15.044 1.00 0.00 H new ATOM 0 HA ASP A 59 14.947 -9.118 16.740 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.160 -7.055 16.125 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.985 -6.891 17.415 1.00 0.00 H new ATOM 968 N ARG A 60 14.529 -7.946 13.856 1.00 0.00 N ATOM 969 CA ARG A 60 13.754 -7.237 12.816 1.00 0.00 C ATOM 970 C ARG A 60 12.338 -6.899 13.203 1.00 0.00 C ATOM 971 O ARG A 60 11.919 -5.756 13.255 1.00 0.00 O ATOM 972 CB ARG A 60 13.809 -7.879 11.393 1.00 0.00 C ATOM 973 CG ARG A 60 13.016 -9.162 11.093 1.00 0.00 C ATOM 974 CD ARG A 60 13.294 -10.291 12.087 1.00 0.00 C ATOM 975 NE ARG A 60 12.639 -11.555 11.602 1.00 0.00 N ATOM 976 CZ ARG A 60 12.062 -12.483 12.429 1.00 0.00 C ATOM 977 NH1 ARG A 60 12.054 -12.314 13.783 1.00 0.00 N ATOM 978 NH2 ARG A 60 11.482 -13.593 11.886 1.00 0.00 N ATOM 0 H ARG A 60 15.021 -8.744 13.455 1.00 0.00 H new ATOM 0 HA ARG A 60 14.293 -6.292 12.746 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.478 -7.121 10.683 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.856 -8.087 11.172 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.950 -8.933 11.103 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.259 -9.505 10.087 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.368 -10.442 12.192 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.912 -10.025 13.073 1.00 0.00 H new ATOM 0 HE ARG A 60 12.623 -11.732 10.598 1.00 0.00 H new ATOM 0 HH11 ARG A 60 12.482 -11.486 14.196 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.619 -13.016 14.382 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.481 -13.725 10.875 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.049 -14.290 12.492 1.00 0.00 H new ATOM 992 N LYS A 61 11.607 -7.934 13.632 1.00 0.00 N ATOM 993 CA LYS A 61 10.287 -7.963 14.210 1.00 0.00 C ATOM 994 C LYS A 61 10.073 -7.210 15.510 1.00 0.00 C ATOM 995 O LYS A 61 8.947 -6.865 15.847 1.00 0.00 O ATOM 996 CB LYS A 61 9.473 -9.249 13.917 1.00 0.00 C ATOM 997 CG LYS A 61 8.377 -9.712 14.912 1.00 0.00 C ATOM 998 CD LYS A 61 8.927 -10.325 16.212 1.00 0.00 C ATOM 999 CE LYS A 61 7.877 -11.155 16.961 1.00 0.00 C ATOM 1000 NZ LYS A 61 8.418 -11.666 18.242 1.00 0.00 N ATOM 0 H LYS A 61 11.987 -8.879 13.568 1.00 0.00 H new ATOM 0 HA LYS A 61 9.722 -7.253 13.606 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.996 -9.117 12.946 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.185 -10.068 13.814 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.746 -8.859 15.163 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.740 -10.446 14.418 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.784 -10.956 15.978 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.286 -9.527 16.862 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.995 -10.544 17.153 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.557 -11.990 16.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.688 -12.224 18.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.246 -12.267 18.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.701 -10.866 18.843 1.00 0.00 H new ATOM 1014 N LYS A 62 11.104 -6.955 16.352 1.00 0.00 N ATOM 1015 CA LYS A 62 10.985 -6.254 17.638 1.00 0.00 C ATOM 1016 C LYS A 62 10.304 -4.875 17.706 1.00 0.00 C ATOM 1017 O LYS A 62 9.842 -4.482 18.772 1.00 0.00 O ATOM 1018 CB LYS A 62 12.347 -6.270 18.397 1.00 0.00 C ATOM 1019 CG LYS A 62 13.221 -5.007 18.266 1.00 0.00 C ATOM 1020 CD LYS A 62 14.535 -5.102 19.045 1.00 0.00 C ATOM 1021 CE LYS A 62 15.611 -4.215 18.412 1.00 0.00 C ATOM 1022 NZ LYS A 62 16.860 -4.231 19.203 1.00 0.00 N ATOM 0 H LYS A 62 12.061 -7.241 16.144 1.00 0.00 H new ATOM 0 HA LYS A 62 10.231 -6.856 18.145 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.146 -6.438 19.455 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.925 -7.123 18.043 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.442 -4.833 17.213 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.657 -4.144 18.620 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.372 -4.800 20.080 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.877 -6.137 19.065 1.00 0.00 H new ATOM 0 HE2 LYS A 62 15.817 -4.558 17.398 1.00 0.00 H new ATOM 0 HE3 LYS A 62 15.242 -3.193 18.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 17.568 -3.620 18.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 16.667 -3.880 20.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 17.225 -5.203 19.256 1.00 0.00 H new ATOM 1036 N MET A 63 10.172 -4.160 16.550 1.00 0.00 N ATOM 1037 CA MET A 63 9.298 -2.992 16.412 1.00 0.00 C ATOM 1038 C MET A 63 8.166 -3.248 15.422 1.00 0.00 C ATOM 1039 O MET A 63 7.369 -2.345 15.184 1.00 0.00 O ATOM 1040 CB MET A 63 9.938 -1.579 16.243 1.00 0.00 C ATOM 1041 CG MET A 63 10.645 -1.098 17.533 1.00 0.00 C ATOM 1042 SD MET A 63 11.052 0.679 17.555 1.00 0.00 S ATOM 1043 CE MET A 63 12.352 0.697 16.290 1.00 0.00 C ATOM 0 H MET A 63 10.677 -4.392 15.695 1.00 0.00 H new ATOM 0 HA MET A 63 8.895 -2.902 17.421 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.657 -1.604 15.424 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.164 -0.863 15.966 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.006 -1.322 18.387 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.564 -1.670 17.663 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.700 1.719 16.141 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.185 0.074 16.615 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.953 0.309 15.353 1.00 0.00 H new ATOM 1053 N LYS A 64 7.977 -4.498 14.865 1.00 0.00 N ATOM 1054 CA LYS A 64 6.828 -4.909 14.035 1.00 0.00 C ATOM 1055 C LYS A 64 5.564 -5.037 14.882 1.00 0.00 C ATOM 1056 O LYS A 64 4.456 -4.743 14.438 1.00 0.00 O ATOM 1057 CB LYS A 64 7.126 -6.210 13.239 1.00 0.00 C ATOM 1058 CG LYS A 64 5.983 -7.240 13.135 1.00 0.00 C ATOM 1059 CD LYS A 64 6.132 -8.374 12.113 1.00 0.00 C ATOM 1060 CE LYS A 64 5.124 -9.515 12.316 1.00 0.00 C ATOM 1061 NZ LYS A 64 3.729 -9.042 12.143 1.00 0.00 N ATOM 0 H LYS A 64 8.650 -5.252 14.998 1.00 0.00 H new ATOM 0 HA LYS A 64 6.654 -4.126 13.297 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.423 -5.929 12.229 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.984 -6.700 13.699 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.848 -7.691 14.118 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.065 -6.699 12.904 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.011 -7.967 11.109 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.143 -8.777 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.329 -10.315 11.605 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.246 -9.937 13.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.073 -9.836 12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.527 -8.296 12.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.608 -8.662 11.182 1.00 0.00 H new ATOM 1075 N LYS A 65 5.745 -5.435 16.166 1.00 0.00 N ATOM 1076 CA LYS A 65 4.699 -5.536 17.191 1.00 0.00 C ATOM 1077 C LYS A 65 4.009 -4.185 17.545 1.00 0.00 C ATOM 1078 O LYS A 65 2.785 -4.087 17.630 1.00 0.00 O ATOM 1079 CB LYS A 65 5.277 -6.219 18.451 1.00 0.00 C ATOM 1080 CG LYS A 65 5.747 -7.654 18.157 1.00 0.00 C ATOM 1081 CD LYS A 65 6.466 -8.311 19.342 1.00 0.00 C ATOM 1082 CE LYS A 65 7.909 -7.821 19.516 1.00 0.00 C ATOM 1083 NZ LYS A 65 8.591 -8.542 20.616 1.00 0.00 N ATOM 0 H LYS A 65 6.663 -5.703 16.520 1.00 0.00 H new ATOM 0 HA LYS A 65 3.903 -6.147 16.765 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.114 -5.633 18.831 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.519 -6.238 19.234 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.885 -8.262 17.881 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.416 -7.641 17.297 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.907 -8.109 20.256 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.470 -9.392 19.203 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.460 -7.966 18.586 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.910 -6.751 19.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.565 -8.190 20.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.077 -8.383 21.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.610 -9.560 20.404 1.00 0.00 H new ATOM 1097 N VAL A 66 4.820 -3.077 17.653 1.00 0.00 N ATOM 1098 CA VAL A 66 4.375 -1.670 17.760 1.00 0.00 C ATOM 1099 C VAL A 66 3.914 -1.132 16.405 1.00 0.00 C ATOM 1100 O VAL A 66 2.976 -0.337 16.354 1.00 0.00 O ATOM 1101 CB VAL A 66 5.261 -0.684 18.557 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.748 -0.754 18.162 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.730 0.782 18.498 1.00 0.00 C ATOM 0 H VAL A 66 5.836 -3.160 17.667 1.00 0.00 H new ATOM 0 HA VAL A 66 3.515 -1.728 18.427 1.00 0.00 H new ATOM 0 HB VAL A 66 5.194 -1.013 19.594 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.316 -0.039 18.756 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.126 -1.760 18.345 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.855 -0.513 17.104 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.389 1.431 19.074 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.704 1.118 17.461 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.725 0.822 18.917 1.00 0.00 H new ATOM 1113 N TRP A 67 4.507 -1.591 15.251 1.00 0.00 N ATOM 1114 CA TRP A 67 4.127 -1.271 13.859 1.00 0.00 C ATOM 1115 C TRP A 67 2.643 -1.570 13.549 1.00 0.00 C ATOM 1116 O TRP A 67 1.971 -0.784 12.897 1.00 0.00 O ATOM 1117 CB TRP A 67 5.033 -1.969 12.790 1.00 0.00 C ATOM 1118 CG TRP A 67 4.772 -1.647 11.324 1.00 0.00 C ATOM 1119 CD1 TRP A 67 4.306 -2.494 10.358 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.568 -0.316 10.834 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.766 -1.773 9.325 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.877 -0.433 9.631 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.869 0.901 11.378 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.403 0.672 8.990 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 4.387 2.014 10.731 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.632 1.904 9.578 1.00 0.00 C ATOM 0 H TRP A 67 5.304 -2.227 15.287 1.00 0.00 H new ATOM 0 HA TRP A 67 4.284 -0.195 13.786 1.00 0.00 H new ATOM 0 HB2 TRP A 67 6.070 -1.714 13.010 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.936 -3.047 12.920 1.00 0.00 H new ATOM 0 HD1 TRP A 67 4.356 -3.572 10.402 1.00 0.00 H new ATOM 0 HE1 TRP A 67 3.353 -2.161 8.477 1.00 0.00 H new ATOM 0 HE3 TRP A 67 5.460 0.985 12.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.867 0.589 8.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 4.602 2.994 11.131 1.00 0.00 H new ATOM 0 HH2 TRP A 67 3.214 2.793 9.129 1.00 0.00 H new ATOM 1137 N ASP A 68 2.109 -2.697 14.109 1.00 0.00 N ATOM 1138 CA ASP A 68 0.705 -3.158 14.090 1.00 0.00 C ATOM 1139 C ASP A 68 -0.301 -2.167 14.704 1.00 0.00 C ATOM 1140 O ASP A 68 -1.390 -1.953 14.183 1.00 0.00 O ATOM 1141 CB ASP A 68 0.569 -4.500 14.866 1.00 0.00 C ATOM 1142 CG ASP A 68 1.446 -5.598 14.252 1.00 0.00 C ATOM 1143 OD1 ASP A 68 1.514 -5.680 12.997 1.00 0.00 O ATOM 1144 OD2 ASP A 68 2.041 -6.383 15.037 1.00 0.00 O ATOM 0 H ASP A 68 2.703 -3.349 14.622 1.00 0.00 H new ATOM 0 HA ASP A 68 0.462 -3.266 13.033 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.851 -4.349 15.908 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.473 -4.820 14.861 1.00 0.00 H new ATOM 1149 N ARG A 69 0.093 -1.491 15.811 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.552 -0.318 16.405 1.00 0.00 C ATOM 1151 C ARG A 69 -0.252 1.001 15.647 1.00 0.00 C ATOM 1152 O ARG A 69 -1.162 1.761 15.324 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.180 -0.276 17.916 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.685 0.909 18.771 1.00 0.00 C ATOM 1155 CD ARG A 69 -2.203 1.178 18.738 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.934 -0.004 19.316 1.00 0.00 N ATOM 1157 CZ ARG A 69 -4.272 0.018 19.613 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -5.027 1.130 19.372 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -4.859 -1.087 20.162 1.00 0.00 N ATOM 0 H ARG A 69 0.920 -1.776 16.336 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.634 -0.413 16.311 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.549 -1.194 18.373 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.907 -0.297 17.990 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.391 0.734 19.806 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.170 1.812 18.442 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.436 2.078 19.308 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.530 1.356 17.713 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.410 -0.861 19.495 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.596 1.960 18.965 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -6.021 1.130 19.599 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.302 -1.921 20.348 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.854 -1.078 20.386 1.00 0.00 H new ATOM 1173 N ALA A 70 1.045 1.308 15.319 1.00 0.00 N ATOM 1174 CA ALA A 70 1.562 2.497 14.622 1.00 0.00 C ATOM 1175 C ALA A 70 1.033 2.731 13.198 1.00 0.00 C ATOM 1176 O ALA A 70 0.824 3.872 12.782 1.00 0.00 O ATOM 1177 CB ALA A 70 3.106 2.497 14.606 1.00 0.00 C ATOM 0 H ALA A 70 1.802 0.669 15.562 1.00 0.00 H new ATOM 0 HA ALA A 70 1.175 3.329 15.210 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.464 3.385 14.086 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.480 2.500 15.630 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.465 1.606 14.091 1.00 0.00 H new ATOM 1183 N VAL A 71 0.745 1.628 12.439 1.00 0.00 N ATOM 1184 CA VAL A 71 0.111 1.540 11.117 1.00 0.00 C ATOM 1185 C VAL A 71 -1.296 2.153 11.042 1.00 0.00 C ATOM 1186 O VAL A 71 -1.676 2.742 10.033 1.00 0.00 O ATOM 1187 CB VAL A 71 0.199 0.118 10.568 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -0.689 -0.884 11.310 1.00 0.00 C ATOM 1189 CG2 VAL A 71 -0.097 0.032 9.075 1.00 0.00 C ATOM 0 H VAL A 71 0.980 0.698 12.786 1.00 0.00 H new ATOM 0 HA VAL A 71 0.689 2.180 10.451 1.00 0.00 H new ATOM 0 HB VAL A 71 1.240 -0.158 10.737 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.574 -1.872 10.864 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.396 -0.923 12.359 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.731 -0.572 11.236 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.018 -1.005 8.747 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.106 0.397 8.882 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.621 0.642 8.526 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.065 2.089 12.177 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.361 2.737 12.456 1.00 0.00 C ATOM 1201 C ASP A 72 -3.239 4.286 12.473 1.00 0.00 C ATOM 1202 O ASP A 72 -4.027 4.993 11.846 1.00 0.00 O ATOM 1203 CB ASP A 72 -4.002 2.114 13.744 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.413 2.628 14.059 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.313 2.455 13.194 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.601 3.199 15.167 1.00 0.00 O ATOM 0 H ASP A 72 -1.756 1.534 12.975 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.055 2.534 11.641 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.040 1.031 13.629 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.354 2.322 14.595 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.164 4.845 13.115 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.711 6.251 13.075 1.00 0.00 C ATOM 1213 C PHE A 73 -1.295 6.701 11.641 1.00 0.00 C ATOM 1214 O PHE A 73 -1.697 7.776 11.188 1.00 0.00 O ATOM 1215 CB PHE A 73 -0.516 6.559 14.052 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.665 6.282 15.547 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -1.573 5.419 16.156 1.00 0.00 C ATOM 1218 CD2 PHE A 73 0.243 6.933 16.373 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -1.534 5.190 17.520 1.00 0.00 C ATOM 1220 CE2 PHE A 73 0.283 6.711 17.735 1.00 0.00 C ATOM 1221 CZ PHE A 73 -0.602 5.825 18.311 1.00 0.00 C ATOM 0 H PHE A 73 -1.560 4.277 13.709 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.582 6.817 13.404 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.345 5.991 13.701 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.269 7.615 13.940 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.319 4.921 15.554 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.939 7.634 15.936 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.241 4.507 17.968 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.006 7.230 18.347 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.565 5.630 19.373 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.530 5.854 10.864 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.179 6.087 9.433 1.00 0.00 C ATOM 1233 C LEU A 74 -1.388 6.123 8.459 1.00 0.00 C ATOM 1234 O LEU A 74 -1.542 7.096 7.720 1.00 0.00 O ATOM 1235 CB LEU A 74 0.864 5.024 8.971 1.00 0.00 C ATOM 1236 CG LEU A 74 1.571 5.302 7.618 1.00 0.00 C ATOM 1237 CD1 LEU A 74 3.013 5.777 7.847 1.00 0.00 C ATOM 1238 CD2 LEU A 74 1.563 4.086 6.672 1.00 0.00 C ATOM 0 H LEU A 74 -0.142 4.984 11.229 1.00 0.00 H new ATOM 0 HA LEU A 74 0.246 7.090 9.389 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.627 4.934 9.744 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.363 4.059 8.904 1.00 0.00 H new ATOM 0 HG LEU A 74 0.998 6.091 7.131 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.491 5.966 6.886 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.005 6.695 8.435 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.569 5.008 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.072 4.344 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.077 3.251 7.148 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.534 3.801 6.454 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.317 5.109 8.445 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.520 5.056 7.597 1.00 0.00 C ATOM 1252 C ALA A 75 -4.583 6.174 7.739 1.00 0.00 C ATOM 1253 O ALA A 75 -5.412 6.371 6.858 1.00 0.00 O ATOM 1254 CB ALA A 75 -4.206 3.678 7.743 1.00 0.00 C ATOM 0 H ALA A 75 -2.229 4.291 9.048 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.111 5.230 6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.095 3.646 7.113 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.515 2.893 7.436 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.492 3.523 8.783 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.559 6.970 8.846 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.429 8.116 9.104 1.00 0.00 C ATOM 1262 C ALA A 76 -4.817 9.418 8.566 1.00 0.00 C ATOM 1263 O ALA A 76 -5.463 10.460 8.499 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.716 8.227 10.621 1.00 0.00 C ATOM 0 H ALA A 76 -3.898 6.809 9.606 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.370 7.958 8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.365 9.083 10.807 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.208 7.317 10.966 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.778 8.359 11.160 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.527 9.348 8.145 1.00 0.00 N ATOM 1271 CA ASN A 77 -2.721 10.415 7.575 1.00 0.00 C ATOM 1272 C ASN A 77 -2.381 10.112 6.108 1.00 0.00 C ATOM 1273 O ASN A 77 -1.699 10.888 5.441 1.00 0.00 O ATOM 1274 CB ASN A 77 -1.460 10.627 8.453 1.00 0.00 C ATOM 1275 CG ASN A 77 -1.899 11.285 9.765 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -2.111 12.500 9.767 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -2.014 10.513 10.875 1.00 0.00 N ATOM 0 H ASN A 77 -3.003 8.475 8.207 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.284 11.348 7.571 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -0.969 9.674 8.651 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -0.737 11.257 7.935 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.287 10.934 11.763 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.828 9.512 10.821 1.00 0.00 H new ATOM 1284 N GLU A 78 -2.918 8.978 5.575 1.00 0.00 N ATOM 1285 CA GLU A 78 -2.875 8.508 4.184 1.00 0.00 C ATOM 1286 C GLU A 78 -1.558 7.946 3.609 1.00 0.00 C ATOM 1287 O GLU A 78 -0.444 8.200 4.073 1.00 0.00 O ATOM 1288 CB GLU A 78 -3.534 9.518 3.191 1.00 0.00 C ATOM 1289 CG GLU A 78 -4.973 9.942 3.564 1.00 0.00 C ATOM 1290 CD GLU A 78 -5.900 8.727 3.618 1.00 0.00 C ATOM 1291 OE1 GLU A 78 -6.066 8.059 2.561 1.00 0.00 O ATOM 1292 OE2 GLU A 78 -6.455 8.453 4.715 1.00 0.00 O ATOM 0 H GLU A 78 -3.431 8.325 6.167 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.478 7.605 4.276 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.910 10.410 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.547 9.073 2.196 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.970 10.446 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.347 10.658 2.833 1.00 0.00 H new ATOM 1299 N SER A 79 -1.671 7.112 2.546 1.00 0.00 N ATOM 1300 CA SER A 79 -0.548 6.472 1.869 1.00 0.00 C ATOM 1301 C SER A 79 -1.070 5.899 0.560 1.00 0.00 C ATOM 1302 O SER A 79 -2.183 5.387 0.511 1.00 0.00 O ATOM 1303 CB SER A 79 0.083 5.350 2.741 1.00 0.00 C ATOM 1304 OG SER A 79 0.985 5.921 3.689 1.00 0.00 O ATOM 0 H SER A 79 -2.573 6.869 2.136 1.00 0.00 H new ATOM 0 HA SER A 79 0.238 7.205 1.686 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.700 4.796 3.259 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.611 4.638 2.107 1.00 0.00 H new ATOM 0 HG SER A 79 0.595 6.740 4.060 1.00 0.00 H new ATOM 1310 N ARG A 80 -0.286 5.950 -0.555 1.00 0.00 N ATOM 1311 CA ARG A 80 -0.689 5.508 -1.901 1.00 0.00 C ATOM 1312 C ARG A 80 -0.544 3.986 -2.145 1.00 0.00 C ATOM 1313 O ARG A 80 -0.693 3.486 -3.259 1.00 0.00 O ATOM 1314 CB ARG A 80 0.060 6.314 -3.014 1.00 0.00 C ATOM 1315 CG ARG A 80 -0.170 7.845 -3.083 1.00 0.00 C ATOM 1316 CD ARG A 80 0.410 8.704 -1.940 1.00 0.00 C ATOM 1317 NE ARG A 80 1.867 8.365 -1.733 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.547 8.628 -0.571 1.00 0.00 C ATOM 1319 NH1 ARG A 80 1.929 9.242 0.479 1.00 0.00 N ATOM 1320 NH2 ARG A 80 3.858 8.268 -0.460 1.00 0.00 N ATOM 0 H ARG A 80 0.668 6.311 -0.530 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.757 5.720 -1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.129 6.142 -2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.220 5.890 -3.979 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.250 8.206 -4.022 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -1.245 8.022 -3.125 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.304 9.762 -2.178 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.148 8.527 -1.021 1.00 0.00 H new ATOM 0 HE ARG A 80 2.372 7.917 -2.497 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.948 9.512 0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.448 9.431 1.337 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.328 7.806 -1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.369 8.461 0.402 1.00 0.00 H new ATOM 1334 N VAL A 81 -0.249 3.217 -1.069 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.144 1.774 -1.016 1.00 0.00 C ATOM 1336 C VAL A 81 -1.433 1.337 -0.304 1.00 0.00 C ATOM 1337 O VAL A 81 -1.684 1.735 0.834 1.00 0.00 O ATOM 1338 CB VAL A 81 1.150 1.332 -0.321 1.00 0.00 C ATOM 1339 CG1 VAL A 81 1.184 -0.191 -0.241 1.00 0.00 C ATOM 1340 CG2 VAL A 81 2.398 1.714 -1.151 1.00 0.00 C ATOM 0 H VAL A 81 -0.068 3.639 -0.158 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.068 1.302 -1.996 1.00 0.00 H new ATOM 0 HB VAL A 81 1.165 1.815 0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.102 -0.509 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.325 -0.545 0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.149 -0.609 -1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.297 1.386 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.348 1.230 -2.127 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.430 2.795 -1.283 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.320 0.567 -0.995 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.643 0.162 -0.531 1.00 0.00 C ATOM 1352 C ARG A 82 -3.662 -1.315 -0.169 1.00 0.00 C ATOM 1353 O ARG A 82 -2.966 -2.123 -0.784 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.650 0.444 -1.682 1.00 0.00 C ATOM 1355 CG ARG A 82 -6.141 0.143 -1.433 1.00 0.00 C ATOM 1356 CD ARG A 82 -6.951 0.299 -2.729 1.00 0.00 C ATOM 1357 NE ARG A 82 -8.375 -0.108 -2.465 1.00 0.00 N ATOM 1358 CZ ARG A 82 -9.292 -0.306 -3.463 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -8.947 -0.146 -4.773 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -10.568 -0.670 -3.140 1.00 0.00 N ATOM 0 H ARG A 82 -2.107 0.207 -1.925 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.912 0.722 0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.563 1.497 -1.951 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.334 -0.134 -2.551 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.253 -0.871 -1.048 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.531 0.818 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -6.912 1.332 -3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -6.522 -0.319 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.671 -0.243 -1.498 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.995 0.125 -5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.641 -0.297 -5.505 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.831 -0.792 -2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -11.258 -0.820 -3.877 1.00 0.00 H new ATOM 1374 N THR A 83 -4.490 -1.716 0.839 1.00 0.00 N ATOM 1375 CA THR A 83 -4.646 -3.102 1.309 1.00 0.00 C ATOM 1376 C THR A 83 -5.753 -3.846 0.560 1.00 0.00 C ATOM 1377 O THR A 83 -6.911 -3.427 0.523 1.00 0.00 O ATOM 1378 CB THR A 83 -4.959 -3.215 2.810 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.203 -2.289 3.573 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.581 -4.611 3.328 1.00 0.00 C ATOM 0 H THR A 83 -5.077 -1.058 1.352 1.00 0.00 H new ATOM 0 HA THR A 83 -3.674 -3.554 1.111 1.00 0.00 H new ATOM 0 HB THR A 83 -6.025 -3.017 2.920 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.275 -2.287 3.259 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.808 -4.678 4.392 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.151 -5.366 2.787 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.516 -4.781 3.173 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.415 -4.992 -0.062 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.326 -5.749 -0.897 1.00 0.00 C ATOM 1390 C GLU A 84 -6.192 -7.222 -0.558 1.00 0.00 C ATOM 1391 O GLU A 84 -5.104 -7.677 -0.197 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.945 -5.414 -2.374 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.614 -6.278 -3.460 1.00 0.00 C ATOM 1394 CD GLU A 84 -6.305 -5.683 -4.833 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -6.807 -4.563 -5.119 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.567 -6.341 -5.615 1.00 0.00 O ATOM 0 H GLU A 84 -4.488 -5.411 0.011 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.374 -5.494 -0.738 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.195 -4.370 -2.564 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.864 -5.507 -2.479 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.248 -7.303 -3.403 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.692 -6.315 -3.300 1.00 0.00 H new ATOM 1403 N THR A 85 -7.304 -8.009 -0.691 1.00 0.00 N ATOM 1404 CA THR A 85 -7.401 -9.455 -0.516 1.00 0.00 C ATOM 1405 C THR A 85 -6.929 -10.130 -1.815 1.00 0.00 C ATOM 1406 O THR A 85 -7.581 -10.047 -2.857 1.00 0.00 O ATOM 1407 CB THR A 85 -8.863 -9.865 -0.223 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.787 -8.838 -0.594 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.997 -10.113 1.287 1.00 0.00 C ATOM 0 H THR A 85 -8.205 -7.601 -0.940 1.00 0.00 H new ATOM 0 HA THR A 85 -6.781 -9.766 0.325 1.00 0.00 H new ATOM 0 HB THR A 85 -9.094 -10.758 -0.804 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.700 -9.133 -0.396 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.022 -10.404 1.518 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.317 -10.910 1.587 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.748 -9.201 1.829 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.762 -10.812 -1.788 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.178 -11.437 -2.968 1.00 0.00 C ATOM 1419 C ARG A 86 -4.719 -12.814 -2.591 1.00 0.00 C ATOM 1420 O ARG A 86 -4.355 -13.075 -1.446 1.00 0.00 O ATOM 1421 CB ARG A 86 -3.987 -10.610 -3.536 1.00 0.00 C ATOM 1422 CG ARG A 86 -4.396 -9.765 -4.758 1.00 0.00 C ATOM 1423 CD ARG A 86 -4.641 -10.573 -6.047 1.00 0.00 C ATOM 1424 NE ARG A 86 -3.348 -11.225 -6.476 1.00 0.00 N ATOM 1425 CZ ARG A 86 -3.262 -12.459 -7.065 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -4.376 -13.205 -7.312 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -2.034 -12.952 -7.402 1.00 0.00 N ATOM 0 H ARG A 86 -5.208 -10.937 -0.941 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.933 -11.484 -3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.598 -9.955 -2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.179 -11.286 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -5.303 -9.213 -4.514 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.616 -9.028 -4.950 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.405 -11.331 -5.876 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.012 -9.919 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.481 -10.712 -6.317 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.296 -12.847 -7.057 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.289 -14.121 -7.752 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.195 -12.403 -7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.956 -13.869 -7.841 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.689 -13.748 -3.577 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.271 -15.129 -3.393 1.00 0.00 C ATOM 1443 C ARG A 87 -2.758 -15.234 -3.576 1.00 0.00 C ATOM 1444 O ARG A 87 -2.240 -14.978 -4.660 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.059 -16.086 -4.316 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.716 -17.577 -4.120 1.00 0.00 C ATOM 1447 CD ARG A 87 -5.737 -18.530 -4.761 1.00 0.00 C ATOM 1448 NE ARG A 87 -5.722 -18.323 -6.251 1.00 0.00 N ATOM 1449 CZ ARG A 87 -6.537 -19.011 -7.109 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -7.423 -19.939 -6.642 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -6.460 -18.765 -8.450 1.00 0.00 N ATOM 0 H ARG A 87 -4.964 -13.539 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.504 -15.444 -2.376 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.126 -15.944 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.866 -15.813 -5.354 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.731 -17.774 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.652 -17.790 -3.053 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.491 -19.564 -4.521 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.734 -18.339 -4.363 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.074 -17.638 -6.640 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.484 -20.128 -5.641 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.024 -20.444 -7.294 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.799 -18.074 -8.805 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.063 -19.273 -9.097 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.012 -15.555 -2.484 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.549 -15.600 -2.467 1.00 0.00 C ATOM 1467 C ILE A 88 -0.168 -17.008 -2.053 1.00 0.00 C ATOM 1468 O ILE A 88 -0.323 -17.367 -0.889 1.00 0.00 O ATOM 1469 CB ILE A 88 0.132 -14.567 -1.536 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.779 -13.386 -1.101 1.00 0.00 C ATOM 1471 CG2 ILE A 88 1.443 -14.088 -2.204 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -1.044 -12.288 -2.132 1.00 0.00 C ATOM 0 H ILE A 88 -2.430 -15.791 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.193 -15.334 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 88 0.356 -15.070 -0.595 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -1.740 -13.797 -0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.333 -12.922 -0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.935 -13.359 -1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.105 -14.940 -2.359 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.214 -13.627 -3.165 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.693 -11.529 -1.696 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.100 -11.831 -2.428 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.528 -12.720 -3.008 1.00 0.00 H new ATOM 1484 N GLY A 89 0.291 -17.872 -3.008 1.00 0.00 N ATOM 1485 CA GLY A 89 0.691 -19.296 -2.743 1.00 0.00 C ATOM 1486 C GLY A 89 -0.456 -20.222 -2.385 1.00 0.00 C ATOM 1487 O GLY A 89 -0.283 -21.221 -1.694 1.00 0.00 O ATOM 0 H GLY A 89 0.395 -17.603 -3.986 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.194 -19.688 -3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.418 -19.310 -1.931 1.00 0.00 H new ATOM 1491 N GLY A 90 -1.677 -19.858 -2.844 1.00 0.00 N ATOM 1492 CA GLY A 90 -2.937 -20.551 -2.527 1.00 0.00 C ATOM 1493 C GLY A 90 -3.708 -20.004 -1.337 1.00 0.00 C ATOM 1494 O GLY A 90 -4.709 -20.602 -0.957 1.00 0.00 O ATOM 0 H GLY A 90 -1.810 -19.055 -3.459 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.583 -20.512 -3.404 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.716 -21.602 -2.341 1.00 0.00 H new ATOM 1498 N ALA A 91 -3.304 -18.870 -0.695 1.00 0.00 N ATOM 1499 CA ALA A 91 -3.993 -18.338 0.464 1.00 0.00 C ATOM 1500 C ALA A 91 -4.318 -16.865 0.234 1.00 0.00 C ATOM 1501 O ALA A 91 -3.501 -16.110 -0.289 1.00 0.00 O ATOM 1502 CB ALA A 91 -3.093 -18.524 1.702 1.00 0.00 C ATOM 0 H ALA A 91 -2.495 -18.320 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.931 -18.868 0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.599 -18.128 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.889 -19.585 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.154 -17.991 1.553 1.00 0.00 H new ATOM 1508 N ASP A 92 -5.539 -16.410 0.630 1.00 0.00 N ATOM 1509 CA ASP A 92 -6.050 -15.043 0.531 1.00 0.00 C ATOM 1510 C ASP A 92 -5.522 -14.202 1.704 1.00 0.00 C ATOM 1511 O ASP A 92 -5.909 -14.394 2.855 1.00 0.00 O ATOM 1512 CB ASP A 92 -7.609 -15.084 0.486 1.00 0.00 C ATOM 1513 CG ASP A 92 -8.280 -13.739 0.184 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.981 -13.162 -0.893 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -9.115 -13.297 1.018 1.00 0.00 O ATOM 0 H ASP A 92 -6.223 -17.039 1.051 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.700 -14.570 -0.386 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.918 -15.806 -0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.976 -15.450 1.445 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.591 -13.265 1.424 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.915 -12.438 2.409 1.00 0.00 C ATOM 1522 C PHE A 93 -4.239 -10.997 2.123 1.00 0.00 C ATOM 1523 O PHE A 93 -4.694 -10.644 1.033 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.361 -12.653 2.359 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.915 -14.042 2.814 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -2.540 -14.790 3.807 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -0.794 -14.603 2.223 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -2.080 -16.048 4.155 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.359 -15.875 2.527 1.00 0.00 C ATOM 1530 CZ PHE A 93 -0.998 -16.600 3.507 1.00 0.00 C ATOM 0 H PHE A 93 -4.289 -13.068 0.470 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.258 -12.717 3.405 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.013 -12.486 1.340 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.880 -11.903 2.987 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.400 -14.381 4.316 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.242 -14.023 1.499 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.573 -16.601 4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.480 -16.301 1.998 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.654 -17.591 3.765 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.960 -10.102 3.113 1.00 0.00 N ATOM 1541 CA LEU A 94 -4.127 -8.666 2.970 1.00 0.00 C ATOM 1542 C LEU A 94 -2.733 -8.193 2.590 1.00 0.00 C ATOM 1543 O LEU A 94 -1.791 -8.244 3.375 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.641 -8.052 4.296 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.157 -7.767 4.303 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.927 -9.090 4.352 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.547 -6.931 5.545 1.00 0.00 C ATOM 0 H LEU A 94 -3.612 -10.381 4.030 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.866 -8.369 2.226 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.404 -8.731 5.116 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.105 -7.122 4.487 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.406 -7.213 3.398 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.998 -8.888 4.357 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.675 -9.690 3.478 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.657 -9.635 5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.620 -6.740 5.533 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.287 -7.480 6.450 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.009 -5.983 5.529 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.589 -7.776 1.321 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.313 -7.479 0.704 1.00 0.00 C ATOM 1561 C VAL A 95 -1.364 -6.006 0.388 1.00 0.00 C ATOM 1562 O VAL A 95 -2.437 -5.456 0.113 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.166 -8.393 -0.530 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -1.937 -7.900 -1.793 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.322 -8.652 -0.829 1.00 0.00 C ATOM 0 H VAL A 95 -3.381 -7.637 0.694 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.439 -7.671 1.326 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.646 -9.336 -0.270 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.779 -8.601 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.002 -7.839 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.570 -6.915 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.411 -9.298 -1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.824 -7.705 -1.026 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.787 -9.137 0.030 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.200 -5.332 0.392 1.00 0.00 N ATOM 1576 CA TRP A 96 -0.159 -3.899 0.044 1.00 0.00 C ATOM 1577 C TRP A 96 0.374 -3.749 -1.406 1.00 0.00 C ATOM 1578 O TRP A 96 1.397 -4.337 -1.771 1.00 0.00 O ATOM 1579 CB TRP A 96 0.836 -3.302 1.074 1.00 0.00 C ATOM 1580 CG TRP A 96 0.215 -2.776 2.361 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -1.075 -2.442 2.661 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.980 -2.493 3.540 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -1.159 -1.982 3.956 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.102 -2.009 4.508 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.303 -2.632 3.801 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.544 -1.652 5.752 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.715 -2.361 5.069 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.882 -1.852 6.037 1.00 0.00 C ATOM 0 H TRP A 96 0.704 -5.743 0.626 1.00 0.00 H new ATOM 0 HA TRP A 96 -1.129 -3.402 0.079 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.568 -4.068 1.331 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.381 -2.488 0.596 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.909 -2.527 1.980 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.010 -1.674 4.426 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.999 -2.944 3.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.127 -1.229 6.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.746 -2.555 5.327 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.271 -1.610 7.015 1.00 0.00 H new ATOM 1599 N ARG A 97 -0.267 -2.940 -2.305 1.00 0.00 N ATOM 1600 CA ARG A 97 0.279 -2.691 -3.648 1.00 0.00 C ATOM 1601 C ARG A 97 -0.170 -1.307 -4.058 1.00 0.00 C ATOM 1602 O ARG A 97 -1.101 -0.751 -3.467 1.00 0.00 O ATOM 1603 CB ARG A 97 0.049 -3.773 -4.744 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.298 -3.871 -5.494 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.554 -4.140 -4.641 1.00 0.00 C ATOM 1606 NE ARG A 97 -3.290 -2.848 -4.381 1.00 0.00 N ATOM 1607 CZ ARG A 97 -4.058 -2.218 -5.328 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -4.367 -2.829 -6.509 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -4.504 -0.950 -5.098 1.00 0.00 N ATOM 0 H ARG A 97 -1.148 -2.463 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 97 1.364 -2.759 -3.566 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.825 -3.635 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.226 -4.742 -4.278 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.451 -2.940 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.216 -4.665 -6.236 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -3.209 -4.844 -5.155 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.269 -4.602 -3.696 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.213 -2.423 -3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.026 -3.771 -6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.939 -2.344 -7.200 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -4.266 -0.476 -4.227 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.075 -0.476 -5.797 1.00 0.00 H new ATOM 1623 N TRP A 98 0.580 -0.673 -4.996 1.00 0.00 N ATOM 1624 CA TRP A 98 0.538 0.760 -5.232 1.00 0.00 C ATOM 1625 C TRP A 98 0.222 1.452 -6.561 1.00 0.00 C ATOM 1626 O TRP A 98 0.570 1.012 -7.662 1.00 0.00 O ATOM 1627 CB TRP A 98 1.655 1.343 -4.348 1.00 0.00 C ATOM 1628 CG TRP A 98 2.426 2.530 -4.755 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.354 3.803 -4.318 1.00 0.00 C ATOM 1630 CD2 TRP A 98 3.567 2.445 -5.585 1.00 0.00 C ATOM 1631 NE1 TRP A 98 3.355 4.512 -4.851 1.00 0.00 N ATOM 1632 CE2 TRP A 98 4.149 3.688 -5.557 1.00 0.00 C ATOM 1633 CE3 TRP A 98 4.107 1.404 -6.247 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 5.333 3.916 -6.115 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 5.263 1.672 -6.934 1.00 0.00 C ATOM 1636 CH2 TRP A 98 5.881 2.907 -6.860 1.00 0.00 C ATOM 0 H TRP A 98 1.232 -1.165 -5.607 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.484 1.050 -4.988 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.205 1.575 -3.383 1.00 0.00 H new ATOM 0 HB3 TRP A 98 2.375 0.542 -4.180 1.00 0.00 H new ATOM 0 HD1 TRP A 98 1.605 4.190 -3.643 1.00 0.00 H new ATOM 0 HE1 TRP A 98 3.494 5.516 -4.740 1.00 0.00 H new ATOM 0 HE3 TRP A 98 3.659 0.422 -6.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 5.843 4.859 -5.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 5.702 0.900 -7.548 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.804 3.077 -7.395 1.00 0.00 H new ATOM 1647 N ILE A 99 -0.447 2.631 -6.427 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.797 3.556 -7.478 1.00 0.00 C ATOM 1649 C ILE A 99 0.134 4.786 -7.411 1.00 0.00 C ATOM 1650 O ILE A 99 0.491 5.288 -6.349 1.00 0.00 O ATOM 1651 CB ILE A 99 -2.290 3.900 -7.379 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.770 4.318 -5.945 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -3.035 2.654 -7.893 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.518 3.254 -5.106 1.00 0.00 C ATOM 0 H ILE A 99 -0.764 2.957 -5.514 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.648 3.110 -8.461 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.501 4.787 -7.976 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.897 4.641 -5.378 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.422 5.185 -6.048 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.110 2.829 -7.850 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.741 2.453 -8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.782 1.796 -7.270 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.791 3.678 -4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.420 2.943 -5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.871 2.390 -4.953 1.00 0.00 H new ATOM 1666 N GLN A 100 0.582 5.225 -8.611 1.00 0.00 N ATOM 1667 CA GLN A 100 1.588 6.222 -8.966 1.00 0.00 C ATOM 1668 C GLN A 100 1.085 7.029 -10.172 1.00 0.00 C ATOM 1669 O GLN A 100 0.205 6.511 -10.856 1.00 0.00 O ATOM 1670 CB GLN A 100 2.997 5.554 -9.250 1.00 0.00 C ATOM 1671 CG GLN A 100 3.028 4.019 -9.521 1.00 0.00 C ATOM 1672 CD GLN A 100 1.968 3.553 -10.516 1.00 0.00 C ATOM 1673 OE1 GLN A 100 1.679 4.167 -11.542 1.00 0.00 O ATOM 1674 NE2 GLN A 100 1.287 2.437 -10.152 1.00 0.00 N ATOM 0 H GLN A 100 0.183 4.825 -9.460 1.00 0.00 H new ATOM 0 HA GLN A 100 1.737 6.898 -8.124 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.439 6.056 -10.111 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.643 5.757 -8.396 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.013 3.745 -9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 100 2.888 3.489 -8.579 1.00 0.00 H new ATOM 0 HE21 GLN A 100 1.541 1.941 -9.298 1.00 0.00 H new ATOM 0 HE22 GLN A 100 0.522 2.095 -10.733 1.00 0.00 H new