USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=14 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 31 HIS : no HD1:sc= -3.2! X(o=-5!,f=-5) USER MOD Set 1.2: A 42 GLN :FLIP amide:sc= 0.816 X(o=-5,f=-5) USER MOD Set 1.3: A 45 MET CE :methyl 180:sc= -0.385 (180deg=-0.385) USER MOD Set 1.4: A 49 HIS : no HD1:sc= -2.2! C(o=-5!,f=-5.1!) USER MOD Set 2.1: A 32 ASN : amide:sc= 1.87 K(o=-1.2,f=-3.9) USER MOD Set 2.2: A 35 CYS SG : rot 174:sc= -3.08! USER MOD Single : A 18 TYR OH : rot 69:sc= 1.16 USER MOD Single : A 20 MET CE :methyl -157:sc= -0.276 (180deg=-1.01) USER MOD Single : A 23 LYS NZ :NH3+ 152:sc= 0.249 (180deg=-0.324) USER MOD Single : A 30 SER OG : rot 96:sc= 1.27 USER MOD Single : A 36 GLN : amide:sc= -0.128! X(o=-0.13!,f=-0.085) USER MOD Single : A 38 ASN : amide:sc=-0.00418 X(o=-0.0042,f=-0.079) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.0248 USER MOD Single : A 53 SER OG : rot 115:sc= 1.12 USER MOD Single : A 56 GLN : amide:sc= -0.016 X(o=-0.016,f=0) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 168:sc= -1.24 (180deg=-1.63) USER MOD Single : A 64 LYS NZ :NH3+ -131:sc= -0.0356 (180deg=-0.25) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0122) USER MOD Single : A 77 ASN : amide:sc=-0.00509 X(o=-0.0051,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.0894 USER MOD Single : A 100 GLN : amide:sc= 1.02 K(o=1,f=-0.26) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 6.242 12.466 14.131 1.00 0.00 N ATOM 285 CA TYR A 18 6.854 12.008 15.388 1.00 0.00 C ATOM 286 C TYR A 18 7.514 10.681 15.757 1.00 0.00 C ATOM 287 O TYR A 18 8.669 10.686 16.166 1.00 0.00 O ATOM 288 CB TYR A 18 6.110 12.618 16.631 1.00 0.00 C ATOM 289 CG TYR A 18 4.996 11.763 17.235 1.00 0.00 C ATOM 290 CD1 TYR A 18 3.783 11.635 16.576 1.00 0.00 C ATOM 291 CD2 TYR A 18 5.161 11.068 18.432 1.00 0.00 C ATOM 292 CE1 TYR A 18 2.762 10.854 17.089 1.00 0.00 C ATOM 293 CE2 TYR A 18 4.139 10.290 18.945 1.00 0.00 C ATOM 294 CZ TYR A 18 2.939 10.185 18.281 1.00 0.00 C ATOM 295 OH TYR A 18 1.910 9.390 18.827 1.00 0.00 O ATOM 0 HA TYR A 18 7.814 12.364 15.014 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.848 12.819 17.408 1.00 0.00 H new ATOM 0 HB3 TYR A 18 5.685 13.578 16.339 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.632 12.156 15.642 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.098 11.138 18.965 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.827 10.769 16.555 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.284 9.760 19.875 1.00 0.00 H new ATOM 0 HH TYR A 18 1.772 8.601 18.263 1.00 0.00 H new ATOM 305 N ASP A 19 6.809 9.523 15.739 1.00 0.00 N ATOM 306 CA ASP A 19 7.288 8.312 16.426 1.00 0.00 C ATOM 307 C ASP A 19 8.122 7.384 15.554 1.00 0.00 C ATOM 308 O ASP A 19 8.895 7.811 14.701 1.00 0.00 O ATOM 309 CB ASP A 19 6.029 7.590 17.029 1.00 0.00 C ATOM 310 CG ASP A 19 6.325 6.740 18.275 1.00 0.00 C ATOM 311 OD1 ASP A 19 6.864 7.305 19.262 1.00 0.00 O ATOM 312 OD2 ASP A 19 6.004 5.522 18.251 1.00 0.00 O ATOM 0 H ASP A 19 5.916 9.409 15.259 1.00 0.00 H new ATOM 0 HA ASP A 19 7.982 8.608 17.213 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.282 8.341 17.285 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.590 6.951 16.263 1.00 0.00 H new ATOM 317 N MET A 20 7.891 6.047 15.702 1.00 0.00 N ATOM 318 CA MET A 20 8.406 4.887 14.976 1.00 0.00 C ATOM 319 C MET A 20 8.086 4.927 13.477 1.00 0.00 C ATOM 320 O MET A 20 8.726 4.319 12.627 1.00 0.00 O ATOM 321 CB MET A 20 8.082 3.557 15.703 1.00 0.00 C ATOM 322 CG MET A 20 6.668 2.993 15.515 1.00 0.00 C ATOM 323 SD MET A 20 6.617 1.237 15.043 1.00 0.00 S ATOM 324 CE MET A 20 7.595 1.312 13.513 1.00 0.00 C ATOM 0 H MET A 20 7.253 5.737 16.435 1.00 0.00 H new ATOM 0 HA MET A 20 9.494 4.942 14.993 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.795 2.804 15.368 1.00 0.00 H new ATOM 0 HB3 MET A 20 8.250 3.703 16.770 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.111 3.124 16.443 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.155 3.577 14.751 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.344 0.462 12.879 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.371 2.238 12.983 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.657 1.282 13.758 1.00 0.00 H new ATOM 334 N VAL A 21 7.015 5.693 13.170 1.00 0.00 N ATOM 335 CA VAL A 21 6.465 6.033 11.830 1.00 0.00 C ATOM 336 C VAL A 21 7.456 6.633 10.837 1.00 0.00 C ATOM 337 O VAL A 21 7.361 6.317 9.650 1.00 0.00 O ATOM 338 CB VAL A 21 5.175 6.890 11.902 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.027 6.036 12.508 1.00 0.00 C ATOM 340 CG2 VAL A 21 5.353 8.250 12.673 1.00 0.00 C ATOM 0 H VAL A 21 6.465 6.127 13.911 1.00 0.00 H new ATOM 0 HA VAL A 21 6.210 5.054 11.426 1.00 0.00 H new ATOM 0 HB VAL A 21 4.923 7.181 10.882 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.117 6.634 12.561 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.851 5.163 11.879 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.306 5.710 13.510 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.407 8.791 12.680 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.663 8.049 13.698 1.00 0.00 H new ATOM 0 HG23 VAL A 21 6.113 8.853 12.176 1.00 0.00 H new ATOM 350 N VAL A 22 8.476 7.444 11.280 1.00 0.00 N ATOM 351 CA VAL A 22 9.557 8.037 10.465 1.00 0.00 C ATOM 352 C VAL A 22 10.357 7.026 9.609 1.00 0.00 C ATOM 353 O VAL A 22 10.738 7.290 8.471 1.00 0.00 O ATOM 354 CB VAL A 22 10.476 8.908 11.323 1.00 0.00 C ATOM 355 CG1 VAL A 22 11.615 9.545 10.497 1.00 0.00 C ATOM 356 CG2 VAL A 22 9.654 10.019 12.013 1.00 0.00 C ATOM 0 H VAL A 22 8.555 7.704 12.263 1.00 0.00 H new ATOM 0 HA VAL A 22 9.053 8.670 9.735 1.00 0.00 H new ATOM 0 HB VAL A 22 10.932 8.260 12.071 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.241 10.154 11.149 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.220 8.759 10.044 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.189 10.172 9.714 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.315 10.635 12.622 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.174 10.640 11.256 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.892 9.567 12.648 1.00 0.00 H new ATOM 366 N LYS A 23 10.559 5.792 10.140 1.00 0.00 N ATOM 367 CA LYS A 23 11.218 4.636 9.527 1.00 0.00 C ATOM 368 C LYS A 23 10.410 3.977 8.390 1.00 0.00 C ATOM 369 O LYS A 23 10.941 3.671 7.328 1.00 0.00 O ATOM 370 CB LYS A 23 11.541 3.584 10.625 1.00 0.00 C ATOM 371 CG LYS A 23 12.731 3.924 11.553 1.00 0.00 C ATOM 372 CD LYS A 23 12.743 5.275 12.301 1.00 0.00 C ATOM 373 CE LYS A 23 11.543 5.509 13.226 1.00 0.00 C ATOM 374 NZ LYS A 23 11.785 6.657 14.129 1.00 0.00 N ATOM 0 H LYS A 23 10.235 5.575 11.083 1.00 0.00 H new ATOM 0 HA LYS A 23 12.131 5.011 9.065 1.00 0.00 H new ATOM 0 HB2 LYS A 23 10.653 3.445 11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 23 11.745 2.630 10.139 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.799 3.134 12.301 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.640 3.874 10.953 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.657 5.339 12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.781 6.080 11.567 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.650 5.693 12.629 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.353 4.612 13.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 10.877 7.094 14.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.266 6.326 14.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.382 7.358 13.646 1.00 0.00 H new ATOM 388 N ILE A 24 9.074 3.784 8.581 1.00 0.00 N ATOM 389 CA ILE A 24 8.085 3.251 7.632 1.00 0.00 C ATOM 390 C ILE A 24 7.677 4.269 6.555 1.00 0.00 C ATOM 391 O ILE A 24 7.534 3.904 5.383 1.00 0.00 O ATOM 392 CB ILE A 24 6.972 2.448 8.309 1.00 0.00 C ATOM 393 CG1 ILE A 24 7.494 0.984 8.468 1.00 0.00 C ATOM 394 CG2 ILE A 24 5.603 2.544 7.572 1.00 0.00 C ATOM 395 CD1 ILE A 24 6.586 0.133 9.353 1.00 0.00 C ATOM 0 H ILE A 24 8.640 4.018 9.474 1.00 0.00 H new ATOM 0 HA ILE A 24 8.578 2.482 7.037 1.00 0.00 H new ATOM 0 HB ILE A 24 6.752 2.871 9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.575 0.521 7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.497 1.003 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.860 1.951 8.106 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.281 3.585 7.537 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.709 2.163 6.556 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.994 -0.875 9.430 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.526 0.577 10.346 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.589 0.088 8.915 1.00 0.00 H new ATOM 407 N ILE A 25 7.571 5.599 6.882 1.00 0.00 N ATOM 408 CA ILE A 25 7.399 6.690 5.891 1.00 0.00 C ATOM 409 C ILE A 25 8.641 6.854 5.011 1.00 0.00 C ATOM 410 O ILE A 25 8.505 7.115 3.826 1.00 0.00 O ATOM 411 CB ILE A 25 6.793 8.019 6.351 1.00 0.00 C ATOM 412 CG1 ILE A 25 7.646 8.698 7.449 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.321 7.746 6.736 1.00 0.00 C ATOM 414 CD1 ILE A 25 6.892 9.619 8.416 1.00 0.00 C ATOM 0 H ILE A 25 7.604 5.933 7.845 1.00 0.00 H new ATOM 0 HA ILE A 25 6.575 6.318 5.281 1.00 0.00 H new ATOM 0 HB ILE A 25 6.799 8.757 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.139 7.919 8.031 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.431 9.278 6.964 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.854 8.673 7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.784 7.361 5.869 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.286 7.011 7.541 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.591 10.037 9.140 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.422 10.428 7.856 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.126 9.047 8.940 1.00 0.00 H new ATOM 426 N ASP A 26 9.882 6.564 5.525 1.00 0.00 N ATOM 427 CA ASP A 26 11.115 6.442 4.709 1.00 0.00 C ATOM 428 C ASP A 26 11.084 5.246 3.724 1.00 0.00 C ATOM 429 O ASP A 26 11.533 5.373 2.584 1.00 0.00 O ATOM 430 CB ASP A 26 12.427 6.383 5.550 1.00 0.00 C ATOM 431 CG ASP A 26 12.724 7.712 6.260 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.026 8.725 5.993 1.00 0.00 O ATOM 433 OD2 ASP A 26 13.676 7.721 7.086 1.00 0.00 O ATOM 0 H ASP A 26 10.043 6.410 6.520 1.00 0.00 H new ATOM 0 HA ASP A 26 11.127 7.367 4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.345 5.588 6.291 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.262 6.127 4.898 1.00 0.00 H new ATOM 438 N VAL A 27 10.461 4.086 4.116 1.00 0.00 N ATOM 439 CA VAL A 27 10.141 2.885 3.302 1.00 0.00 C ATOM 440 C VAL A 27 9.121 3.228 2.193 1.00 0.00 C ATOM 441 O VAL A 27 9.395 3.041 1.007 1.00 0.00 O ATOM 442 CB VAL A 27 9.600 1.760 4.224 1.00 0.00 C ATOM 443 CG1 VAL A 27 8.665 0.705 3.596 1.00 0.00 C ATOM 444 CG2 VAL A 27 10.748 1.005 4.927 1.00 0.00 C ATOM 0 H VAL A 27 10.151 3.968 5.081 1.00 0.00 H new ATOM 0 HA VAL A 27 11.051 2.535 2.815 1.00 0.00 H new ATOM 0 HB VAL A 27 8.981 2.329 4.918 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.367 -0.016 4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.779 1.197 3.195 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.188 0.188 2.791 1.00 0.00 H new ATOM 0 HG21 VAL A 27 10.333 0.224 5.565 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.399 0.554 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.323 1.703 5.535 1.00 0.00 H new ATOM 454 N LEU A 28 7.935 3.818 2.573 1.00 0.00 N ATOM 455 CA LEU A 28 6.878 4.284 1.645 1.00 0.00 C ATOM 456 C LEU A 28 7.271 5.446 0.716 1.00 0.00 C ATOM 457 O LEU A 28 7.122 5.309 -0.495 1.00 0.00 O ATOM 458 CB LEU A 28 5.490 4.611 2.296 1.00 0.00 C ATOM 459 CG LEU A 28 4.571 3.413 2.658 1.00 0.00 C ATOM 460 CD1 LEU A 28 4.621 2.251 1.650 1.00 0.00 C ATOM 461 CD2 LEU A 28 4.861 2.882 4.061 1.00 0.00 C ATOM 0 H LEU A 28 7.698 3.978 3.552 1.00 0.00 H new ATOM 0 HA LEU A 28 6.763 3.385 1.039 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.671 5.184 3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.943 5.261 1.614 1.00 0.00 H new ATOM 0 HG LEU A 28 3.562 3.823 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.951 1.456 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.309 2.607 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.639 1.865 1.589 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.198 2.044 4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.897 2.548 4.117 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.695 3.674 4.791 1.00 0.00 H new ATOM 473 N ARG A 29 7.838 6.579 1.223 1.00 0.00 N ATOM 474 CA ARG A 29 8.362 7.749 0.456 1.00 0.00 C ATOM 475 C ARG A 29 9.418 7.453 -0.618 1.00 0.00 C ATOM 476 O ARG A 29 9.571 8.220 -1.563 1.00 0.00 O ATOM 477 CB ARG A 29 8.848 8.916 1.360 1.00 0.00 C ATOM 478 CG ARG A 29 7.716 9.592 2.162 1.00 0.00 C ATOM 479 CD ARG A 29 8.252 10.625 3.167 1.00 0.00 C ATOM 480 NE ARG A 29 7.084 11.198 3.925 1.00 0.00 N ATOM 481 CZ ARG A 29 7.209 11.899 5.096 1.00 0.00 C ATOM 482 NH1 ARG A 29 8.433 12.134 5.649 1.00 0.00 N ATOM 483 NH2 ARG A 29 6.085 12.360 5.722 1.00 0.00 N ATOM 0 H ARG A 29 7.947 6.707 2.229 1.00 0.00 H new ATOM 0 HA ARG A 29 7.469 8.058 -0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.598 8.538 2.055 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.339 9.665 0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.027 10.081 1.473 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.146 8.831 2.695 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.957 10.156 3.854 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.792 11.416 2.647 1.00 0.00 H new ATOM 0 HE ARG A 29 6.148 11.057 3.546 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.275 11.786 5.190 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.507 12.658 6.521 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.166 12.181 5.317 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.165 12.883 6.594 1.00 0.00 H new ATOM 497 N SER A 30 10.203 6.353 -0.455 1.00 0.00 N ATOM 498 CA SER A 30 11.320 5.897 -1.305 1.00 0.00 C ATOM 499 C SER A 30 10.892 5.364 -2.658 1.00 0.00 C ATOM 500 O SER A 30 11.433 5.793 -3.672 1.00 0.00 O ATOM 501 CB SER A 30 12.219 4.821 -0.631 1.00 0.00 C ATOM 502 OG SER A 30 12.973 5.397 0.432 1.00 0.00 O ATOM 0 H SER A 30 10.055 5.722 0.332 1.00 0.00 H new ATOM 0 HA SER A 30 11.895 6.812 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.600 4.009 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.893 4.387 -1.370 1.00 0.00 H new ATOM 0 HG SER A 30 12.505 5.252 1.281 1.00 0.00 H new ATOM 508 N HIS A 31 9.855 4.467 -2.735 1.00 0.00 N ATOM 509 CA HIS A 31 9.212 3.965 -3.958 1.00 0.00 C ATOM 510 C HIS A 31 8.575 5.093 -4.792 1.00 0.00 C ATOM 511 O HIS A 31 8.508 5.088 -6.013 1.00 0.00 O ATOM 512 CB HIS A 31 8.051 2.958 -3.634 1.00 0.00 C ATOM 513 CG HIS A 31 8.077 2.170 -2.346 1.00 0.00 C ATOM 514 ND1 HIS A 31 8.876 1.082 -2.102 1.00 0.00 N ATOM 515 CD2 HIS A 31 7.195 2.208 -1.300 1.00 0.00 C ATOM 516 CE1 HIS A 31 8.454 0.530 -0.936 1.00 0.00 C ATOM 517 NE2 HIS A 31 7.423 1.163 -0.421 1.00 0.00 N ATOM 0 H HIS A 31 9.439 4.067 -1.894 1.00 0.00 H new ATOM 0 HA HIS A 31 10.014 3.480 -4.515 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.118 3.521 -3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.005 2.240 -4.453 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.424 2.954 -1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.915 -0.334 -0.481 1.00 0.00 H new ATOM 0 HE2 HIS A 31 6.909 0.936 0.430 1.00 0.00 H new ATOM 525 N ASN A 32 8.090 6.103 -4.032 1.00 0.00 N ATOM 526 CA ASN A 32 7.361 7.306 -4.364 1.00 0.00 C ATOM 527 C ASN A 32 8.026 8.385 -5.202 1.00 0.00 C ATOM 528 O ASN A 32 7.369 9.097 -5.961 1.00 0.00 O ATOM 529 CB ASN A 32 6.467 7.748 -3.186 1.00 0.00 C ATOM 530 CG ASN A 32 5.330 6.726 -3.193 1.00 0.00 C ATOM 531 OD1 ASN A 32 4.429 6.902 -4.015 1.00 0.00 O ATOM 532 ND2 ASN A 32 5.372 5.626 -2.410 1.00 0.00 N ATOM 0 H ASN A 32 8.235 6.064 -3.023 1.00 0.00 H new ATOM 0 HA ASN A 32 6.696 7.005 -5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.012 7.735 -2.242 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.094 8.763 -3.324 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.646 4.915 -2.491 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.130 5.507 -1.738 1.00 0.00 H new ATOM 539 N GLU A 33 9.363 8.531 -5.139 1.00 0.00 N ATOM 540 CA GLU A 33 10.122 9.398 -6.039 1.00 0.00 C ATOM 541 C GLU A 33 10.254 8.891 -7.477 1.00 0.00 C ATOM 542 O GLU A 33 10.036 9.623 -8.430 1.00 0.00 O ATOM 543 CB GLU A 33 11.486 9.710 -5.393 1.00 0.00 C ATOM 544 CG GLU A 33 11.369 10.261 -3.960 1.00 0.00 C ATOM 545 CD GLU A 33 10.349 11.395 -3.851 1.00 0.00 C ATOM 546 OE1 GLU A 33 10.539 12.433 -4.540 1.00 0.00 O ATOM 547 OE2 GLU A 33 9.370 11.241 -3.073 1.00 0.00 O ATOM 0 H GLU A 33 9.944 8.045 -4.456 1.00 0.00 H new ATOM 0 HA GLU A 33 9.547 10.316 -6.160 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.089 8.802 -5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.016 10.434 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.083 9.454 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.344 10.621 -3.632 1.00 0.00 H new ATOM 554 N ALA A 34 10.568 7.590 -7.640 1.00 0.00 N ATOM 555 CA ALA A 34 10.625 6.797 -8.877 1.00 0.00 C ATOM 556 C ALA A 34 9.274 6.445 -9.500 1.00 0.00 C ATOM 557 O ALA A 34 9.113 6.176 -10.692 1.00 0.00 O ATOM 558 CB ALA A 34 11.606 5.635 -8.682 1.00 0.00 C ATOM 0 H ALA A 34 10.810 7.018 -6.831 1.00 0.00 H new ATOM 0 HA ALA A 34 11.024 7.431 -9.669 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.654 5.042 -9.595 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.596 6.029 -8.453 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.266 5.006 -7.859 1.00 0.00 H new ATOM 564 N CYS A 35 8.228 6.425 -8.642 1.00 0.00 N ATOM 565 CA CYS A 35 6.801 6.131 -8.837 1.00 0.00 C ATOM 566 C CYS A 35 6.152 6.986 -9.886 1.00 0.00 C ATOM 567 O CYS A 35 5.314 6.500 -10.642 1.00 0.00 O ATOM 568 CB CYS A 35 6.114 6.453 -7.468 1.00 0.00 C ATOM 569 SG CYS A 35 4.392 6.987 -7.111 1.00 0.00 S ATOM 0 H CYS A 35 8.398 6.647 -7.661 1.00 0.00 H new ATOM 0 HA CYS A 35 6.696 5.097 -9.164 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.251 5.550 -6.873 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.739 7.226 -7.022 1.00 0.00 H new ATOM 0 HG CYS A 35 4.204 7.014 -5.825 1.00 0.00 H new ATOM 575 N GLN A 36 6.629 8.265 -10.008 1.00 0.00 N ATOM 576 CA GLN A 36 6.301 9.269 -11.030 1.00 0.00 C ATOM 577 C GLN A 36 6.449 8.835 -12.489 1.00 0.00 C ATOM 578 O GLN A 36 6.124 9.587 -13.402 1.00 0.00 O ATOM 579 CB GLN A 36 7.129 10.581 -10.829 1.00 0.00 C ATOM 580 CG GLN A 36 8.681 10.508 -10.986 1.00 0.00 C ATOM 581 CD GLN A 36 9.353 10.758 -12.352 1.00 0.00 C ATOM 582 OE1 GLN A 36 10.572 10.954 -12.382 1.00 0.00 O ATOM 583 NE2 GLN A 36 8.623 10.703 -13.488 1.00 0.00 N ATOM 0 H GLN A 36 7.302 8.631 -9.335 1.00 0.00 H new ATOM 0 HA GLN A 36 5.235 9.430 -10.867 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.757 11.321 -11.538 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.913 10.961 -9.830 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.107 11.225 -10.284 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.989 9.516 -10.655 1.00 0.00 H new ATOM 0 HE21 GLN A 36 7.617 10.540 -13.441 1.00 0.00 H new ATOM 0 HE22 GLN A 36 9.078 10.824 -14.393 1.00 0.00 H new ATOM 592 N GLU A 37 7.100 7.669 -12.697 1.00 0.00 N ATOM 593 CA GLU A 37 7.559 7.170 -13.984 1.00 0.00 C ATOM 594 C GLU A 37 7.037 5.779 -14.246 1.00 0.00 C ATOM 595 O GLU A 37 6.546 5.442 -15.322 1.00 0.00 O ATOM 596 CB GLU A 37 9.114 7.091 -13.887 1.00 0.00 C ATOM 597 CG GLU A 37 9.887 6.511 -15.089 1.00 0.00 C ATOM 598 CD GLU A 37 10.072 7.573 -16.168 1.00 0.00 C ATOM 599 OE1 GLU A 37 10.742 8.602 -15.881 1.00 0.00 O ATOM 600 OE2 GLU A 37 9.546 7.372 -17.296 1.00 0.00 O ATOM 0 H GLU A 37 7.323 7.033 -11.931 1.00 0.00 H new ATOM 0 HA GLU A 37 7.212 7.822 -14.785 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.489 8.098 -13.704 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.364 6.494 -13.010 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.860 6.144 -14.761 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.347 5.658 -15.499 1.00 0.00 H new ATOM 607 N ASN A 38 7.186 4.929 -13.219 1.00 0.00 N ATOM 608 CA ASN A 38 6.873 3.525 -13.232 1.00 0.00 C ATOM 609 C ASN A 38 5.788 3.339 -12.193 1.00 0.00 C ATOM 610 O ASN A 38 6.037 3.217 -10.991 1.00 0.00 O ATOM 611 CB ASN A 38 8.122 2.718 -12.846 1.00 0.00 C ATOM 612 CG ASN A 38 9.314 2.969 -13.772 1.00 0.00 C ATOM 613 OD1 ASN A 38 9.220 3.082 -14.992 1.00 0.00 O ATOM 614 ND2 ASN A 38 10.499 3.068 -13.113 1.00 0.00 N ATOM 0 H ASN A 38 7.549 5.237 -12.317 1.00 0.00 H new ATOM 0 HA ASN A 38 6.547 3.185 -14.215 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.406 2.968 -11.824 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.878 1.656 -12.859 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.359 3.243 -13.633 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.528 2.967 -12.098 1.00 0.00 H new ATOM 621 N LYS A 39 4.543 3.307 -12.724 1.00 0.00 N ATOM 622 CA LYS A 39 3.169 3.232 -12.195 1.00 0.00 C ATOM 623 C LYS A 39 2.947 2.521 -10.874 1.00 0.00 C ATOM 624 O LYS A 39 2.128 2.881 -10.043 1.00 0.00 O ATOM 625 CB LYS A 39 2.210 2.638 -13.283 1.00 0.00 C ATOM 626 CG LYS A 39 1.899 1.115 -13.303 1.00 0.00 C ATOM 627 CD LYS A 39 3.115 0.193 -13.524 1.00 0.00 C ATOM 628 CE LYS A 39 2.969 -0.612 -14.815 1.00 0.00 C ATOM 629 NZ LYS A 39 4.165 -1.442 -15.082 1.00 0.00 N ATOM 0 H LYS A 39 4.480 3.341 -13.742 1.00 0.00 H new ATOM 0 HA LYS A 39 2.942 4.271 -11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.258 3.161 -13.195 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.627 2.896 -14.257 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.428 0.846 -12.358 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.170 0.921 -14.090 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.025 0.791 -13.566 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.218 -0.486 -12.678 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.090 -1.252 -14.747 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.804 0.068 -15.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.029 -1.973 -15.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.000 -0.829 -15.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.308 -2.108 -14.296 1.00 0.00 H new ATOM 643 N ASP A 40 3.728 1.449 -10.759 1.00 0.00 N ATOM 644 CA ASP A 40 4.047 0.606 -9.652 1.00 0.00 C ATOM 645 C ASP A 40 5.448 -0.016 -9.857 1.00 0.00 C ATOM 646 O ASP A 40 5.532 -1.169 -10.263 1.00 0.00 O ATOM 647 CB ASP A 40 2.903 -0.421 -9.326 1.00 0.00 C ATOM 648 CG ASP A 40 2.334 -1.318 -10.438 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.058 -2.210 -10.949 1.00 0.00 O ATOM 650 OD2 ASP A 40 1.129 -1.135 -10.765 1.00 0.00 O ATOM 0 H ASP A 40 4.221 1.117 -11.588 1.00 0.00 H new ATOM 0 HA ASP A 40 4.106 1.208 -8.745 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.272 -1.077 -8.537 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.070 0.144 -8.907 1.00 0.00 H new ATOM 655 N LEU A 41 6.608 0.634 -9.513 1.00 0.00 N ATOM 656 CA LEU A 41 7.948 -0.016 -9.493 1.00 0.00 C ATOM 657 C LEU A 41 8.203 -1.071 -8.367 1.00 0.00 C ATOM 658 O LEU A 41 9.068 -1.936 -8.477 1.00 0.00 O ATOM 659 CB LEU A 41 9.126 0.963 -9.602 1.00 0.00 C ATOM 660 CG LEU A 41 9.390 1.821 -8.365 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.876 1.804 -8.009 1.00 0.00 C ATOM 662 CD2 LEU A 41 8.862 3.203 -8.687 1.00 0.00 C ATOM 0 H LEU A 41 6.632 1.618 -9.245 1.00 0.00 H new ATOM 0 HA LEU A 41 7.904 -0.595 -10.415 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.028 0.394 -9.826 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.948 1.625 -10.450 1.00 0.00 H new ATOM 0 HG LEU A 41 8.883 1.439 -7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.046 2.420 -7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.189 0.780 -7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.455 2.199 -8.844 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.024 3.862 -7.834 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.386 3.599 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.795 3.144 -8.902 1.00 0.00 H new ATOM 674 N GLN A 42 7.346 -1.003 -7.311 1.00 0.00 N ATOM 675 CA GLN A 42 7.023 -1.777 -6.120 1.00 0.00 C ATOM 676 C GLN A 42 5.749 -2.637 -6.349 1.00 0.00 C ATOM 677 O GLN A 42 4.954 -2.651 -5.408 1.00 0.00 O ATOM 678 CB GLN A 42 6.930 -0.914 -4.824 1.00 0.00 C ATOM 679 CG GLN A 42 7.175 -1.637 -3.483 1.00 0.00 C ATOM 680 CD GLN A 42 8.611 -2.133 -3.362 1.00 0.00 C ATOM 681 OE1 GLN A 42 8.769 -3.478 -3.473 1.00 0.00 O flip ATOM 682 NE2 GLN A 42 9.551 -1.361 -3.165 1.00 0.00 N flip ATOM 0 H GLN A 42 6.727 -0.192 -7.304 1.00 0.00 H new ATOM 0 HA GLN A 42 7.860 -2.453 -5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.650 -0.100 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.939 -0.461 -4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.954 -0.959 -2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.490 -2.480 -3.394 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.380 -0.358 -3.089 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.500 -1.725 -3.078 1.00 0.00 H new ATOM 691 N PRO A 43 5.410 -3.286 -7.543 1.00 0.00 N ATOM 692 CA PRO A 43 4.091 -3.782 -8.042 1.00 0.00 C ATOM 693 C PRO A 43 3.194 -4.491 -7.007 1.00 0.00 C ATOM 694 O PRO A 43 1.975 -4.393 -7.099 1.00 0.00 O ATOM 695 CB PRO A 43 4.457 -4.743 -9.204 1.00 0.00 C ATOM 696 CG PRO A 43 5.926 -5.093 -8.991 1.00 0.00 C ATOM 697 CD PRO A 43 6.454 -3.774 -8.448 1.00 0.00 C ATOM 0 HA PRO A 43 3.479 -2.929 -8.334 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.833 -5.637 -9.186 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.303 -4.266 -10.172 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.058 -5.913 -8.286 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.420 -5.387 -9.917 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.398 -3.915 -7.921 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.641 -3.063 -9.253 1.00 0.00 H new ATOM 705 N TYR A 44 3.826 -5.172 -6.018 1.00 0.00 N ATOM 706 CA TYR A 44 3.315 -5.843 -4.849 1.00 0.00 C ATOM 707 C TYR A 44 4.506 -5.909 -3.894 1.00 0.00 C ATOM 708 O TYR A 44 5.658 -5.723 -4.295 1.00 0.00 O ATOM 709 CB TYR A 44 2.853 -7.322 -5.112 1.00 0.00 C ATOM 710 CG TYR A 44 1.518 -7.454 -5.847 1.00 0.00 C ATOM 711 CD1 TYR A 44 1.443 -7.552 -7.236 1.00 0.00 C ATOM 712 CD2 TYR A 44 0.324 -7.571 -5.138 1.00 0.00 C ATOM 713 CE1 TYR A 44 0.240 -7.798 -7.871 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.864 -7.894 -5.769 1.00 0.00 C ATOM 715 CZ TYR A 44 -0.904 -7.998 -7.141 1.00 0.00 C ATOM 716 OH TYR A 44 -2.098 -8.314 -7.818 1.00 0.00 O ATOM 0 H TYR A 44 4.842 -5.260 -6.050 1.00 0.00 H new ATOM 0 HA TYR A 44 2.442 -5.304 -4.482 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.623 -7.831 -5.692 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.779 -7.840 -4.156 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.340 -7.434 -7.826 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.326 -7.406 -4.071 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.201 -7.833 -8.950 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.758 -8.064 -5.187 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.822 -8.428 -7.168 1.00 0.00 H new ATOM 726 N MET A 45 4.186 -6.221 -2.615 1.00 0.00 N ATOM 727 CA MET A 45 5.047 -6.453 -1.460 1.00 0.00 C ATOM 728 C MET A 45 4.212 -7.280 -0.452 1.00 0.00 C ATOM 729 O MET A 45 2.981 -7.226 -0.543 1.00 0.00 O ATOM 730 CB MET A 45 5.564 -5.137 -0.753 1.00 0.00 C ATOM 731 CG MET A 45 4.804 -3.820 -1.032 1.00 0.00 C ATOM 732 SD MET A 45 4.388 -2.845 0.439 1.00 0.00 S ATOM 733 CE MET A 45 4.852 -1.210 -0.207 1.00 0.00 C ATOM 0 H MET A 45 3.206 -6.325 -2.353 1.00 0.00 H new ATOM 0 HA MET A 45 5.946 -6.965 -1.804 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.552 -5.309 0.323 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.605 -4.990 -1.040 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.408 -3.204 -1.698 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.883 -4.056 -1.565 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.671 -0.453 0.556 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.909 -1.211 -0.474 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.255 -0.985 -1.091 1.00 0.00 H new ATOM 743 N PRO A 46 4.764 -8.090 0.512 1.00 0.00 N ATOM 744 CA PRO A 46 4.023 -8.651 1.662 1.00 0.00 C ATOM 745 C PRO A 46 3.841 -7.559 2.746 1.00 0.00 C ATOM 746 O PRO A 46 4.441 -6.487 2.639 1.00 0.00 O ATOM 747 CB PRO A 46 5.021 -9.714 2.186 1.00 0.00 C ATOM 748 CG PRO A 46 6.401 -9.071 1.980 1.00 0.00 C ATOM 749 CD PRO A 46 6.197 -8.410 0.598 1.00 0.00 C ATOM 0 HA PRO A 46 3.034 -9.034 1.412 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.842 -9.944 3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.932 -10.650 1.635 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.640 -8.344 2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.205 -9.807 1.973 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.805 -7.510 0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.496 -9.084 -0.205 1.00 0.00 H new ATOM 757 N ILE A 47 3.091 -7.796 3.866 1.00 0.00 N ATOM 758 CA ILE A 47 2.928 -6.826 4.974 1.00 0.00 C ATOM 759 C ILE A 47 4.263 -6.542 5.703 1.00 0.00 C ATOM 760 O ILE A 47 4.650 -5.373 5.802 1.00 0.00 O ATOM 761 CB ILE A 47 1.688 -7.031 5.858 1.00 0.00 C ATOM 762 CG1 ILE A 47 0.490 -7.498 4.983 1.00 0.00 C ATOM 763 CG2 ILE A 47 1.355 -5.698 6.571 1.00 0.00 C ATOM 764 CD1 ILE A 47 -0.886 -7.246 5.617 1.00 0.00 C ATOM 0 H ILE A 47 2.586 -8.669 4.017 1.00 0.00 H new ATOM 0 HA ILE A 47 2.668 -5.877 4.505 1.00 0.00 H new ATOM 0 HB ILE A 47 1.885 -7.798 6.607 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.535 -6.986 4.022 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.595 -8.564 4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.476 -5.832 7.201 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.201 -5.394 7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.153 -4.928 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.667 -7.600 4.944 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.954 -7.781 6.564 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.015 -6.178 5.793 1.00 0.00 H new ATOM 776 N PRO A 48 5.064 -7.530 6.183 1.00 0.00 N ATOM 777 CA PRO A 48 6.470 -7.434 6.529 1.00 0.00 C ATOM 778 C PRO A 48 7.465 -6.812 5.530 1.00 0.00 C ATOM 779 O PRO A 48 8.562 -6.550 5.962 1.00 0.00 O ATOM 780 CB PRO A 48 6.823 -8.473 7.614 1.00 0.00 C ATOM 781 CG PRO A 48 5.528 -9.310 7.682 1.00 0.00 C ATOM 782 CD PRO A 48 4.647 -8.900 6.468 1.00 0.00 C ATOM 0 HA PRO A 48 6.731 -6.505 7.037 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.686 -9.077 7.336 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.057 -8.003 8.569 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.757 -10.375 7.648 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.001 -9.127 8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.814 -9.555 5.613 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.585 -8.953 6.708 1.00 0.00 H new ATOM 790 N HIS A 49 7.305 -6.554 4.189 1.00 0.00 N ATOM 791 CA HIS A 49 8.304 -5.684 3.457 1.00 0.00 C ATOM 792 C HIS A 49 8.443 -4.291 4.119 1.00 0.00 C ATOM 793 O HIS A 49 9.511 -3.764 4.392 1.00 0.00 O ATOM 794 CB HIS A 49 7.913 -5.449 1.953 1.00 0.00 C ATOM 795 CG HIS A 49 8.493 -4.237 1.210 1.00 0.00 C ATOM 796 ND1 HIS A 49 8.050 -2.942 1.393 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.649 -4.117 0.501 1.00 0.00 C ATOM 798 CE1 HIS A 49 8.977 -2.118 0.859 1.00 0.00 C ATOM 799 NE2 HIS A 49 9.960 -2.781 0.295 1.00 0.00 N ATOM 0 H HIS A 49 6.540 -6.911 3.616 1.00 0.00 H new ATOM 0 HA HIS A 49 9.246 -6.230 3.510 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.197 -6.342 1.396 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.827 -5.375 1.904 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.242 -4.948 0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.917 -1.040 0.892 1.00 0.00 H new ATOM 0 HE2 HIS A 49 10.773 -2.398 -0.188 1.00 0.00 H new ATOM 807 N VAL A 50 7.252 -3.758 4.464 1.00 0.00 N ATOM 808 CA VAL A 50 7.021 -2.564 5.257 1.00 0.00 C ATOM 809 C VAL A 50 7.261 -2.839 6.753 1.00 0.00 C ATOM 810 O VAL A 50 8.050 -2.128 7.369 1.00 0.00 O ATOM 811 CB VAL A 50 5.649 -1.998 4.904 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.265 -0.759 5.733 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.600 -1.679 3.393 1.00 0.00 C ATOM 0 H VAL A 50 6.377 -4.191 4.169 1.00 0.00 H new ATOM 0 HA VAL A 50 7.744 -1.784 5.017 1.00 0.00 H new ATOM 0 HB VAL A 50 4.912 -2.762 5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.278 -0.410 5.429 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.248 -1.020 6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.997 0.031 5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.620 -1.274 3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.370 -0.946 3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.775 -2.591 2.823 1.00 0.00 H new ATOM 823 N ARG A 51 6.658 -3.912 7.367 1.00 0.00 N ATOM 824 CA ARG A 51 6.911 -4.332 8.759 1.00 0.00 C ATOM 825 C ARG A 51 8.268 -4.997 9.126 1.00 0.00 C ATOM 826 O ARG A 51 8.659 -4.947 10.271 1.00 0.00 O ATOM 827 CB ARG A 51 5.822 -5.217 9.436 1.00 0.00 C ATOM 828 CG ARG A 51 4.356 -4.923 9.127 1.00 0.00 C ATOM 829 CD ARG A 51 3.458 -5.806 10.011 1.00 0.00 C ATOM 830 NE ARG A 51 2.011 -5.492 9.764 1.00 0.00 N ATOM 831 CZ ARG A 51 1.001 -5.959 10.563 1.00 0.00 C ATOM 832 NH1 ARG A 51 1.269 -6.744 11.647 1.00 0.00 N ATOM 833 NH2 ARG A 51 -0.292 -5.631 10.269 1.00 0.00 N ATOM 0 H ARG A 51 5.979 -4.504 6.889 1.00 0.00 H new ATOM 0 HA ARG A 51 6.908 -3.314 9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.018 -6.254 9.162 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.956 -5.142 10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.139 -3.870 9.307 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.150 -5.115 8.074 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.650 -6.858 9.799 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.698 -5.643 11.062 1.00 0.00 H new ATOM 0 HE ARG A 51 1.769 -4.905 8.966 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.233 -6.991 11.872 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.506 -7.084 12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.498 -5.044 9.461 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.051 -5.974 10.857 1.00 0.00 H new ATOM 847 N ASP A 52 9.054 -5.706 8.278 1.00 0.00 N ATOM 848 CA ASP A 52 10.395 -6.252 8.600 1.00 0.00 C ATOM 849 C ASP A 52 11.543 -5.224 8.565 1.00 0.00 C ATOM 850 O ASP A 52 12.647 -5.504 9.014 1.00 0.00 O ATOM 851 CB ASP A 52 10.745 -7.486 7.699 1.00 0.00 C ATOM 852 CG ASP A 52 11.736 -8.481 8.320 1.00 0.00 C ATOM 853 OD1 ASP A 52 11.325 -9.203 9.267 1.00 0.00 O ATOM 854 OD2 ASP A 52 12.899 -8.540 7.843 1.00 0.00 O ATOM 0 H ASP A 52 8.763 -5.919 7.324 1.00 0.00 H new ATOM 0 HA ASP A 52 10.313 -6.568 9.640 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.823 -8.016 7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.158 -7.124 6.757 1.00 0.00 H new ATOM 859 N SER A 53 11.291 -4.037 7.948 1.00 0.00 N ATOM 860 CA SER A 53 12.181 -2.941 7.568 1.00 0.00 C ATOM 861 C SER A 53 12.401 -1.838 8.545 1.00 0.00 C ATOM 862 O SER A 53 13.315 -1.040 8.368 1.00 0.00 O ATOM 863 CB SER A 53 11.707 -2.275 6.300 1.00 0.00 C ATOM 864 OG SER A 53 11.812 -3.209 5.233 1.00 0.00 O ATOM 0 H SER A 53 10.333 -3.814 7.678 1.00 0.00 H new ATOM 0 HA SER A 53 13.130 -3.470 7.476 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.675 -1.941 6.411 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.308 -1.390 6.089 1.00 0.00 H new ATOM 0 HG SER A 53 10.917 -3.418 4.892 1.00 0.00 H new ATOM 870 N LEU A 54 11.549 -1.711 9.602 1.00 0.00 N ATOM 871 CA LEU A 54 11.489 -0.645 10.596 1.00 0.00 C ATOM 872 C LEU A 54 12.735 -0.614 11.483 1.00 0.00 C ATOM 873 O LEU A 54 13.077 0.408 12.072 1.00 0.00 O ATOM 874 CB LEU A 54 10.222 -0.818 11.535 1.00 0.00 C ATOM 875 CG LEU A 54 9.718 -2.220 12.053 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.256 -2.452 11.647 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.561 -3.498 11.894 1.00 0.00 C ATOM 0 H LEU A 54 10.836 -2.419 9.778 1.00 0.00 H new ATOM 0 HA LEU A 54 11.424 0.289 10.037 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.409 -0.211 12.421 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.383 -0.364 11.008 1.00 0.00 H new ATOM 0 HG LEU A 54 9.849 -2.077 13.126 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.927 -3.424 12.013 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.630 -1.671 12.078 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.172 -2.426 10.561 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.023 -4.344 12.320 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.747 -3.682 10.836 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.511 -3.374 12.413 1.00 0.00 H new ATOM 889 N ILE A 55 13.460 -1.756 11.466 1.00 0.00 N ATOM 890 CA ILE A 55 14.771 -2.053 12.049 1.00 0.00 C ATOM 891 C ILE A 55 15.340 -2.994 10.981 1.00 0.00 C ATOM 892 O ILE A 55 14.590 -3.557 10.190 1.00 0.00 O ATOM 893 CB ILE A 55 14.846 -2.734 13.452 1.00 0.00 C ATOM 894 CG1 ILE A 55 13.617 -2.525 14.367 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.104 -2.352 14.268 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.320 -1.088 14.695 1.00 0.00 C ATOM 0 H ILE A 55 13.091 -2.578 10.988 1.00 0.00 H new ATOM 0 HA ILE A 55 15.294 -1.121 12.265 1.00 0.00 H new ATOM 0 HB ILE A 55 14.884 -3.786 13.169 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.743 -2.962 13.885 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.775 -3.071 15.297 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.083 -2.865 15.230 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.998 -2.647 13.718 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.118 -1.274 14.432 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.443 -1.036 15.340 1.00 0.00 H new ATOM 0 HD12 ILE A 55 14.175 -0.648 15.208 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.126 -0.537 13.775 1.00 0.00 H new ATOM 908 N GLN A 56 16.676 -3.174 10.947 1.00 0.00 N ATOM 909 CA GLN A 56 17.441 -4.018 10.035 1.00 0.00 C ATOM 910 C GLN A 56 17.691 -5.488 10.480 1.00 0.00 C ATOM 911 O GLN A 56 17.246 -6.380 9.762 1.00 0.00 O ATOM 912 CB GLN A 56 18.743 -3.259 9.648 1.00 0.00 C ATOM 913 CG GLN A 56 18.519 -1.874 8.976 1.00 0.00 C ATOM 914 CD GLN A 56 17.849 -1.926 7.597 1.00 0.00 C ATOM 915 OE1 GLN A 56 18.547 -1.813 6.586 1.00 0.00 O ATOM 916 NE2 GLN A 56 16.499 -2.059 7.548 1.00 0.00 N ATOM 0 H GLN A 56 17.284 -2.693 11.610 1.00 0.00 H new ATOM 0 HA GLN A 56 16.814 -4.179 9.158 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.344 -3.118 10.546 1.00 0.00 H new ATOM 0 HB3 GLN A 56 19.324 -3.885 8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.908 -1.260 9.638 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.483 -1.374 8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.964 -2.149 8.412 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.020 -2.069 6.648 1.00 0.00 H new ATOM 925 N PRO A 57 18.384 -5.817 11.598 1.00 0.00 N ATOM 926 CA PRO A 57 18.750 -7.182 12.040 1.00 0.00 C ATOM 927 C PRO A 57 17.606 -7.953 12.724 1.00 0.00 C ATOM 928 O PRO A 57 16.440 -7.699 12.467 1.00 0.00 O ATOM 929 CB PRO A 57 19.831 -6.850 13.101 1.00 0.00 C ATOM 930 CG PRO A 57 19.254 -5.589 13.740 1.00 0.00 C ATOM 931 CD PRO A 57 18.987 -4.812 12.465 1.00 0.00 C ATOM 0 HA PRO A 57 19.044 -7.820 11.207 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.957 -7.656 13.824 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.807 -6.671 12.650 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.351 -5.780 14.319 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.958 -5.088 14.404 1.00 0.00 H new ATOM 0 HD2 PRO A 57 18.316 -3.970 12.637 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.904 -4.407 12.038 1.00 0.00 H new ATOM 939 N HIS A 58 17.963 -8.858 13.686 1.00 0.00 N ATOM 940 CA HIS A 58 17.164 -9.720 14.572 1.00 0.00 C ATOM 941 C HIS A 58 16.123 -9.011 15.454 1.00 0.00 C ATOM 942 O HIS A 58 15.120 -9.600 15.839 1.00 0.00 O ATOM 943 CB HIS A 58 18.069 -10.639 15.447 1.00 0.00 C ATOM 944 CG HIS A 58 18.703 -11.799 14.710 1.00 0.00 C ATOM 945 ND1 HIS A 58 19.131 -11.795 13.398 1.00 0.00 N ATOM 946 CD2 HIS A 58 18.984 -13.048 15.179 1.00 0.00 C ATOM 947 CE1 HIS A 58 19.647 -13.026 13.145 1.00 0.00 C ATOM 948 NE2 HIS A 58 19.582 -13.818 14.196 1.00 0.00 N ATOM 0 H HIS A 58 18.955 -9.008 13.870 1.00 0.00 H new ATOM 0 HA HIS A 58 16.579 -10.319 13.874 1.00 0.00 H new ATOM 0 HB2 HIS A 58 18.860 -10.032 15.888 1.00 0.00 H new ATOM 0 HB3 HIS A 58 17.473 -11.033 16.270 1.00 0.00 H new ATOM 0 HD2 HIS A 58 18.769 -13.390 16.181 1.00 0.00 H new ATOM 0 HE1 HIS A 58 20.062 -13.321 12.193 1.00 0.00 H new ATOM 0 HE2 HIS A 58 19.901 -14.784 14.269 1.00 0.00 H new ATOM 956 N ASP A 59 16.340 -7.711 15.797 1.00 0.00 N ATOM 957 CA ASP A 59 15.520 -6.818 16.590 1.00 0.00 C ATOM 958 C ASP A 59 14.460 -6.136 15.749 1.00 0.00 C ATOM 959 O ASP A 59 13.749 -5.270 16.229 1.00 0.00 O ATOM 960 CB ASP A 59 16.382 -5.726 17.286 1.00 0.00 C ATOM 961 CG ASP A 59 17.412 -6.394 18.203 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.985 -7.067 19.180 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.633 -6.239 17.936 1.00 0.00 O ATOM 0 H ASP A 59 17.186 -7.237 15.481 1.00 0.00 H new ATOM 0 HA ASP A 59 15.035 -7.436 17.346 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.888 -5.115 16.538 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.744 -5.058 17.864 1.00 0.00 H new ATOM 968 N ARG A 60 14.299 -6.508 14.451 1.00 0.00 N ATOM 969 CA ARG A 60 13.262 -6.017 13.537 1.00 0.00 C ATOM 970 C ARG A 60 11.839 -6.311 13.933 1.00 0.00 C ATOM 971 O ARG A 60 11.068 -5.367 14.082 1.00 0.00 O ATOM 972 CB ARG A 60 13.564 -6.327 12.044 1.00 0.00 C ATOM 973 CG ARG A 60 13.156 -7.703 11.472 1.00 0.00 C ATOM 974 CD ARG A 60 13.810 -8.923 12.143 1.00 0.00 C ATOM 975 NE ARG A 60 12.772 -9.996 12.333 1.00 0.00 N ATOM 976 CZ ARG A 60 13.046 -11.235 12.845 1.00 0.00 C ATOM 977 NH1 ARG A 60 14.320 -11.596 13.171 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.023 -12.122 13.031 1.00 0.00 N ATOM 0 H ARG A 60 14.919 -7.185 14.007 1.00 0.00 H new ATOM 0 HA ARG A 60 13.327 -4.935 13.647 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.074 -5.561 11.442 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.637 -6.212 11.894 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.074 -7.803 11.553 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.399 -7.721 10.410 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.629 -9.297 11.528 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.238 -8.639 13.105 1.00 0.00 H new ATOM 0 HE ARG A 60 11.810 -9.788 12.065 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.087 -10.938 13.034 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.506 -12.524 13.552 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.068 -11.857 12.789 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.214 -13.049 13.412 1.00 0.00 H new ATOM 992 N LYS A 61 11.413 -7.585 14.210 1.00 0.00 N ATOM 993 CA LYS A 61 10.055 -7.907 14.675 1.00 0.00 C ATOM 994 C LYS A 61 9.583 -7.218 15.958 1.00 0.00 C ATOM 995 O LYS A 61 8.402 -6.933 16.143 1.00 0.00 O ATOM 996 CB LYS A 61 9.338 -9.181 14.140 1.00 0.00 C ATOM 997 CG LYS A 61 7.965 -9.584 14.759 1.00 0.00 C ATOM 998 CD LYS A 61 8.041 -10.202 16.165 1.00 0.00 C ATOM 999 CE LYS A 61 6.705 -10.781 16.654 1.00 0.00 C ATOM 1000 NZ LYS A 61 5.665 -9.729 16.763 1.00 0.00 N ATOM 0 H LYS A 61 12.013 -8.404 14.112 1.00 0.00 H new ATOM 0 HA LYS A 61 9.453 -7.323 13.979 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.192 -9.052 13.068 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.019 -10.022 14.270 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.329 -8.700 14.801 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.478 -10.295 14.092 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.792 -10.992 16.166 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.378 -9.442 16.870 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.369 -11.556 15.965 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.847 -11.256 17.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.776 -10.153 17.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.976 -9.002 17.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.513 -9.293 15.831 1.00 0.00 H new ATOM 1014 N LYS A 62 10.544 -6.819 16.835 1.00 0.00 N ATOM 1015 CA LYS A 62 10.341 -5.950 17.988 1.00 0.00 C ATOM 1016 C LYS A 62 9.615 -4.602 17.726 1.00 0.00 C ATOM 1017 O LYS A 62 8.833 -4.164 18.570 1.00 0.00 O ATOM 1018 CB LYS A 62 11.706 -5.762 18.721 1.00 0.00 C ATOM 1019 CG LYS A 62 11.620 -4.883 19.982 1.00 0.00 C ATOM 1020 CD LYS A 62 12.175 -3.450 19.858 1.00 0.00 C ATOM 1021 CE LYS A 62 13.680 -3.377 19.556 1.00 0.00 C ATOM 1022 NZ LYS A 62 14.134 -1.967 19.478 1.00 0.00 N ATOM 0 H LYS A 62 11.515 -7.116 16.739 1.00 0.00 H new ATOM 0 HA LYS A 62 9.625 -6.464 18.630 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.096 -6.741 18.998 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.421 -5.318 18.028 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.574 -4.819 20.283 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.154 -5.388 20.787 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.633 -2.930 19.068 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.977 -2.915 20.787 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.237 -3.901 20.333 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.892 -3.884 18.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.153 -1.941 19.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.616 -1.477 18.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.951 -1.493 20.385 1.00 0.00 H new ATOM 1036 N MET A 63 9.779 -3.948 16.527 1.00 0.00 N ATOM 1037 CA MET A 63 8.981 -2.769 16.199 1.00 0.00 C ATOM 1038 C MET A 63 7.867 -3.059 15.209 1.00 0.00 C ATOM 1039 O MET A 63 7.047 -2.187 14.936 1.00 0.00 O ATOM 1040 CB MET A 63 9.760 -1.449 15.947 1.00 0.00 C ATOM 1041 CG MET A 63 10.362 -0.856 17.247 1.00 0.00 C ATOM 1042 SD MET A 63 10.275 0.964 17.358 1.00 0.00 S ATOM 1043 CE MET A 63 11.369 1.285 15.953 1.00 0.00 C ATOM 0 H MET A 63 10.444 -4.227 15.806 1.00 0.00 H new ATOM 0 HA MET A 63 8.481 -2.533 17.138 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.561 -1.635 15.232 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.091 -0.717 15.494 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.841 -1.285 18.103 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.405 -1.163 17.323 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.311 2.339 15.680 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.395 1.037 16.226 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.062 0.673 15.105 1.00 0.00 H new ATOM 1053 N LYS A 64 7.718 -4.333 14.714 1.00 0.00 N ATOM 1054 CA LYS A 64 6.600 -4.807 13.897 1.00 0.00 C ATOM 1055 C LYS A 64 5.320 -4.946 14.754 1.00 0.00 C ATOM 1056 O LYS A 64 4.191 -4.716 14.315 1.00 0.00 O ATOM 1057 CB LYS A 64 7.025 -6.114 13.155 1.00 0.00 C ATOM 1058 CG LYS A 64 5.900 -7.098 12.857 1.00 0.00 C ATOM 1059 CD LYS A 64 6.264 -8.183 11.836 1.00 0.00 C ATOM 1060 CE LYS A 64 5.132 -9.193 11.593 1.00 0.00 C ATOM 1061 NZ LYS A 64 4.784 -9.922 12.836 1.00 0.00 N ATOM 0 H LYS A 64 8.408 -5.063 14.892 1.00 0.00 H new ATOM 0 HA LYS A 64 6.348 -4.078 13.127 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.501 -5.838 12.214 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.779 -6.623 13.756 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.597 -7.578 13.788 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.037 -6.544 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.528 -7.709 10.891 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.149 -8.716 12.183 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.252 -8.672 11.216 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.435 -9.904 10.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.752 -10.943 12.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.502 -9.730 13.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.853 -9.605 13.175 1.00 0.00 H new ATOM 1075 N LYS A 65 5.527 -5.271 16.058 1.00 0.00 N ATOM 1076 CA LYS A 65 4.493 -5.329 17.100 1.00 0.00 C ATOM 1077 C LYS A 65 3.853 -3.945 17.470 1.00 0.00 C ATOM 1078 O LYS A 65 2.632 -3.792 17.505 1.00 0.00 O ATOM 1079 CB LYS A 65 5.040 -6.055 18.356 1.00 0.00 C ATOM 1080 CG LYS A 65 3.972 -6.487 19.381 1.00 0.00 C ATOM 1081 CD LYS A 65 4.582 -7.303 20.532 1.00 0.00 C ATOM 1082 CE LYS A 65 3.570 -7.720 21.608 1.00 0.00 C ATOM 1083 NZ LYS A 65 2.536 -8.627 21.059 1.00 0.00 N ATOM 0 H LYS A 65 6.454 -5.506 16.414 1.00 0.00 H new ATOM 0 HA LYS A 65 3.671 -5.903 16.673 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.591 -6.939 18.034 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.754 -5.399 18.854 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.477 -5.604 19.784 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.207 -7.080 18.880 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.049 -8.198 20.121 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.373 -6.717 21.000 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.092 -8.215 22.427 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.093 -6.832 22.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.909 -8.943 21.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.978 -8.123 20.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.994 -9.453 20.624 1.00 0.00 H new ATOM 1097 N VAL A 66 4.694 -2.866 17.666 1.00 0.00 N ATOM 1098 CA VAL A 66 4.336 -1.434 17.850 1.00 0.00 C ATOM 1099 C VAL A 66 3.760 -0.823 16.575 1.00 0.00 C ATOM 1100 O VAL A 66 2.904 0.062 16.642 1.00 0.00 O ATOM 1101 CB VAL A 66 5.234 -0.511 18.714 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.725 -0.611 18.374 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.783 0.978 18.704 1.00 0.00 C ATOM 0 H VAL A 66 5.705 -2.999 17.699 1.00 0.00 H new ATOM 0 HA VAL A 66 3.530 -1.494 18.582 1.00 0.00 H new ATOM 0 HB VAL A 66 5.100 -0.893 19.726 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.291 0.062 19.018 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.066 -1.634 18.530 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.880 -0.332 17.332 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.455 1.566 19.329 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.809 1.359 17.683 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.768 1.053 19.093 1.00 0.00 H new ATOM 1113 N TRP A 67 4.174 -1.310 15.359 1.00 0.00 N ATOM 1114 CA TRP A 67 3.613 -0.939 14.047 1.00 0.00 C ATOM 1115 C TRP A 67 2.065 -1.047 13.935 1.00 0.00 C ATOM 1116 O TRP A 67 1.443 -0.207 13.300 1.00 0.00 O ATOM 1117 CB TRP A 67 4.333 -1.704 12.884 1.00 0.00 C ATOM 1118 CG TRP A 67 3.763 -1.487 11.489 1.00 0.00 C ATOM 1119 CD1 TRP A 67 2.969 -2.343 10.788 1.00 0.00 C ATOM 1120 CD2 TRP A 67 3.569 -0.194 10.907 1.00 0.00 C ATOM 1121 NE1 TRP A 67 2.414 -1.710 9.702 1.00 0.00 N ATOM 1122 CE2 TRP A 67 2.719 -0.370 9.812 1.00 0.00 C ATOM 1123 CE3 TRP A 67 3.998 1.041 11.308 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 2.276 0.698 9.108 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.455 2.124 10.661 1.00 0.00 C ATOM 1126 CH2 TRP A 67 2.598 1.940 9.597 1.00 0.00 C ATOM 0 H TRP A 67 4.930 -1.990 15.281 1.00 0.00 H new ATOM 0 HA TRP A 67 3.817 0.127 13.947 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.382 -1.409 12.876 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.304 -2.771 13.105 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.799 -3.377 11.050 1.00 0.00 H new ATOM 0 HE1 TRP A 67 1.877 -2.149 8.954 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.728 1.159 12.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 1.697 0.579 8.204 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.700 3.124 10.987 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.161 2.810 9.128 1.00 0.00 H new ATOM 1137 N ASP A 68 1.426 -2.019 14.650 1.00 0.00 N ATOM 1138 CA ASP A 68 -0.024 -2.200 14.841 1.00 0.00 C ATOM 1139 C ASP A 68 -0.716 -1.004 15.541 1.00 0.00 C ATOM 1140 O ASP A 68 -1.809 -0.587 15.171 1.00 0.00 O ATOM 1141 CB ASP A 68 -0.254 -3.519 15.641 1.00 0.00 C ATOM 1142 CG ASP A 68 -1.708 -4.009 15.630 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -2.233 -4.277 14.517 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -2.305 -4.121 16.735 1.00 0.00 O ATOM 0 H ASP A 68 1.958 -2.740 15.137 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.484 -2.258 13.855 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.385 -4.299 15.227 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.059 -3.365 16.674 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.037 -0.392 16.549 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.377 0.890 17.163 1.00 0.00 C ATOM 1151 C ARG A 69 0.025 2.110 16.306 1.00 0.00 C ATOM 1152 O ARG A 69 -0.779 3.010 16.069 1.00 0.00 O ATOM 1153 CB ARG A 69 0.205 0.953 18.600 1.00 0.00 C ATOM 1154 CG ARG A 69 0.007 2.256 19.417 1.00 0.00 C ATOM 1155 CD ARG A 69 -1.419 2.846 19.444 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.395 1.779 19.866 1.00 0.00 N ATOM 1157 CZ ARG A 69 -3.727 1.804 19.545 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -4.259 2.833 18.825 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -4.533 0.779 19.951 1.00 0.00 N ATOM 0 H ARG A 69 0.796 -0.810 16.963 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.464 0.948 17.224 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.230 0.133 19.171 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.276 0.762 18.534 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.315 2.064 20.445 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.681 3.014 19.018 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.463 3.688 20.135 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.685 3.228 18.458 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.046 0.997 20.420 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.663 3.601 18.516 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.253 2.835 18.595 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.142 0.005 20.488 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.526 0.788 19.717 1.00 0.00 H new ATOM 1173 N ALA A 70 1.290 2.179 15.794 1.00 0.00 N ATOM 1174 CA ALA A 70 1.841 3.267 14.980 1.00 0.00 C ATOM 1175 C ALA A 70 1.153 3.574 13.651 1.00 0.00 C ATOM 1176 O ALA A 70 1.086 4.730 13.228 1.00 0.00 O ATOM 1177 CB ALA A 70 3.324 3.032 14.740 1.00 0.00 C ATOM 0 H ALA A 70 1.971 1.436 15.954 1.00 0.00 H new ATOM 0 HA ALA A 70 1.651 4.155 15.583 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.728 3.844 14.135 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.846 2.998 15.696 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.462 2.086 14.217 1.00 0.00 H new ATOM 1183 N VAL A 71 0.592 2.511 13.001 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.273 2.503 11.807 1.00 0.00 C ATOM 1185 C VAL A 71 -1.558 3.323 11.954 1.00 0.00 C ATOM 1186 O VAL A 71 -2.033 3.928 10.999 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.486 1.125 11.191 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.402 0.233 12.022 1.00 0.00 C ATOM 1189 CG2 VAL A 71 -0.980 1.210 9.733 1.00 0.00 C ATOM 0 H VAL A 71 0.755 1.562 13.338 1.00 0.00 H new ATOM 0 HA VAL A 71 0.310 3.043 11.061 1.00 0.00 H new ATOM 0 HB VAL A 71 0.497 0.654 11.187 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.513 -0.733 11.530 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.969 0.088 13.012 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.380 0.705 12.119 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.118 0.204 9.336 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.929 1.746 9.701 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.243 1.740 9.130 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.125 3.419 13.201 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.252 4.285 13.629 1.00 0.00 C ATOM 1201 C ASP A 72 -2.999 5.783 13.311 1.00 0.00 C ATOM 1202 O ASP A 72 -3.855 6.497 12.797 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.590 4.043 15.137 1.00 0.00 C ATOM 1204 CG ASP A 72 -4.946 4.621 15.564 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -5.979 4.194 14.984 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -4.958 5.490 16.476 1.00 0.00 O ATOM 0 H ASP A 72 -1.777 2.853 13.975 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.128 4.003 13.045 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.583 2.971 15.335 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.806 4.485 15.752 1.00 0.00 H new ATOM 1211 N PHE A 73 -1.726 6.243 13.503 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.167 7.516 13.007 1.00 0.00 C ATOM 1213 C PHE A 73 -1.055 7.576 11.449 1.00 0.00 C ATOM 1214 O PHE A 73 -1.517 8.536 10.828 1.00 0.00 O ATOM 1215 CB PHE A 73 0.225 7.870 13.647 1.00 0.00 C ATOM 1216 CG PHE A 73 0.354 7.532 15.128 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -0.721 7.640 15.996 1.00 0.00 C ATOM 1218 CD2 PHE A 73 1.569 7.097 15.660 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -0.629 7.215 17.305 1.00 0.00 C ATOM 1220 CE2 PHE A 73 1.665 6.684 16.975 1.00 0.00 C ATOM 1221 CZ PHE A 73 0.554 6.703 17.790 1.00 0.00 C ATOM 0 H PHE A 73 -1.041 5.704 14.032 1.00 0.00 H new ATOM 0 HA PHE A 73 -1.891 8.266 13.325 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.005 7.342 13.099 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.409 8.936 13.515 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.648 8.065 15.641 1.00 0.00 H new ATOM 0 HD2 PHE A 73 2.449 7.083 15.033 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -1.490 7.284 17.954 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.613 6.345 17.365 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.610 6.320 18.798 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.450 6.541 10.753 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.351 6.365 9.249 1.00 0.00 C ATOM 1233 C LEU A 74 -1.697 6.494 8.489 1.00 0.00 C ATOM 1234 O LEU A 74 -1.779 7.048 7.391 1.00 0.00 O ATOM 1235 CB LEU A 74 0.285 4.985 8.882 1.00 0.00 C ATOM 1236 CG LEU A 74 1.055 4.823 7.534 1.00 0.00 C ATOM 1237 CD1 LEU A 74 0.418 5.339 6.229 1.00 0.00 C ATOM 1238 CD2 LEU A 74 2.500 5.346 7.675 1.00 0.00 C ATOM 0 H LEU A 74 0.002 5.773 11.249 1.00 0.00 H new ATOM 0 HA LEU A 74 0.284 7.190 8.927 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.974 4.720 9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -0.515 4.245 8.891 1.00 0.00 H new ATOM 0 HG LEU A 74 1.014 3.744 7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.091 5.144 5.394 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.529 4.827 6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.242 6.412 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.024 5.226 6.727 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.480 6.401 7.948 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.018 4.780 8.450 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.824 6.043 9.110 1.00 0.00 N ATOM 1251 CA ALA A 75 -4.203 6.201 8.691 1.00 0.00 C ATOM 1252 C ALA A 75 -4.735 7.646 8.510 1.00 0.00 C ATOM 1253 O ALA A 75 -5.799 7.836 7.924 1.00 0.00 O ATOM 1254 CB ALA A 75 -5.066 5.318 9.598 1.00 0.00 C ATOM 0 H ALA A 75 -2.761 5.521 9.984 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.264 5.867 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.113 5.413 9.309 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.755 4.278 9.497 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.945 5.633 10.634 1.00 0.00 H new ATOM 1260 N ALA A 76 -3.985 8.703 8.969 1.00 0.00 N ATOM 1261 CA ALA A 76 -4.269 10.109 8.703 1.00 0.00 C ATOM 1262 C ALA A 76 -3.871 10.571 7.273 1.00 0.00 C ATOM 1263 O ALA A 76 -4.700 11.104 6.550 1.00 0.00 O ATOM 1264 CB ALA A 76 -3.607 10.986 9.789 1.00 0.00 C ATOM 0 H ALA A 76 -3.153 8.570 9.545 1.00 0.00 H new ATOM 0 HA ALA A 76 -5.351 10.231 8.746 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.820 12.036 9.589 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.004 10.715 10.767 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.529 10.826 9.778 1.00 0.00 H new ATOM 1270 N ASN A 77 -2.610 10.366 6.790 1.00 0.00 N ATOM 1271 CA ASN A 77 -2.227 10.731 5.411 1.00 0.00 C ATOM 1272 C ASN A 77 -1.093 9.838 4.913 1.00 0.00 C ATOM 1273 O ASN A 77 -0.340 9.308 5.728 1.00 0.00 O ATOM 1274 CB ASN A 77 -1.958 12.265 5.144 1.00 0.00 C ATOM 1275 CG ASN A 77 -0.674 12.880 5.736 1.00 0.00 C ATOM 1276 OD1 ASN A 77 0.149 13.456 5.022 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -0.534 12.798 7.076 1.00 0.00 N ATOM 0 H ASN A 77 -1.855 9.953 7.337 1.00 0.00 H new ATOM 0 HA ASN A 77 -3.118 10.542 4.813 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.937 12.419 4.065 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.808 12.827 5.530 1.00 0.00 H new ATOM 0 HD21 ASN A 77 0.275 13.222 7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -1.237 12.313 7.633 1.00 0.00 H new ATOM 1284 N GLU A 78 -0.963 9.674 3.557 1.00 0.00 N ATOM 1285 CA GLU A 78 0.044 8.857 2.868 1.00 0.00 C ATOM 1286 C GLU A 78 -0.356 7.379 2.708 1.00 0.00 C ATOM 1287 O GLU A 78 0.479 6.476 2.650 1.00 0.00 O ATOM 1288 CB GLU A 78 1.500 9.041 3.405 1.00 0.00 C ATOM 1289 CG GLU A 78 2.624 8.734 2.396 1.00 0.00 C ATOM 1290 CD GLU A 78 3.974 8.883 3.094 1.00 0.00 C ATOM 1291 OE1 GLU A 78 4.256 10.000 3.601 1.00 0.00 O ATOM 1292 OE2 GLU A 78 4.738 7.881 3.135 1.00 0.00 O ATOM 0 H GLU A 78 -1.594 10.136 2.903 1.00 0.00 H new ATOM 0 HA GLU A 78 0.064 9.265 1.857 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.615 10.069 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.631 8.398 4.275 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.512 7.723 2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.563 9.414 1.546 1.00 0.00 H new ATOM 1299 N SER A 79 -1.687 7.102 2.561 1.00 0.00 N ATOM 1300 CA SER A 79 -2.303 5.783 2.327 1.00 0.00 C ATOM 1301 C SER A 79 -2.459 5.529 0.842 1.00 0.00 C ATOM 1302 O SER A 79 -3.533 5.219 0.334 1.00 0.00 O ATOM 1303 CB SER A 79 -3.710 5.606 2.964 1.00 0.00 C ATOM 1304 OG SER A 79 -3.602 5.414 4.364 1.00 0.00 O ATOM 0 H SER A 79 -2.387 7.843 2.607 1.00 0.00 H new ATOM 0 HA SER A 79 -1.623 5.076 2.802 1.00 0.00 H new ATOM 0 HB2 SER A 79 -4.322 6.484 2.758 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.215 4.752 2.512 1.00 0.00 H new ATOM 0 HG SER A 79 -4.497 5.306 4.749 1.00 0.00 H new ATOM 1310 N ARG A 80 -1.338 5.661 0.105 1.00 0.00 N ATOM 1311 CA ARG A 80 -1.213 5.474 -1.337 1.00 0.00 C ATOM 1312 C ARG A 80 -0.715 4.080 -1.704 1.00 0.00 C ATOM 1313 O ARG A 80 -0.514 3.770 -2.875 1.00 0.00 O ATOM 1314 CB ARG A 80 -0.316 6.588 -1.964 1.00 0.00 C ATOM 1315 CG ARG A 80 1.146 6.633 -1.466 1.00 0.00 C ATOM 1316 CD ARG A 80 1.846 7.962 -1.804 1.00 0.00 C ATOM 1317 NE ARG A 80 1.751 8.202 -3.288 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.213 9.339 -3.898 1.00 0.00 C ATOM 1319 NH1 ARG A 80 2.801 10.333 -3.170 1.00 0.00 N ATOM 1320 NH2 ARG A 80 2.095 9.470 -5.251 1.00 0.00 N ATOM 0 H ARG A 80 -0.449 5.916 0.535 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.213 5.563 -1.761 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.308 6.455 -3.046 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -0.778 7.555 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.163 6.482 -0.387 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.703 5.809 -1.912 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.379 8.783 -1.259 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.890 7.927 -1.494 1.00 0.00 H new ATOM 0 HE ARG A 80 1.321 7.482 -3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.901 10.234 -2.160 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.141 11.174 -3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 80 1.666 8.725 -5.800 1.00 0.00 H new ATOM 0 HH22 ARG A 80 2.436 10.313 -5.713 1.00 0.00 H new ATOM 1334 N VAL A 81 -0.536 3.189 -0.691 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.243 1.763 -0.836 1.00 0.00 C ATOM 1336 C VAL A 81 -1.506 1.093 -0.329 1.00 0.00 C ATOM 1337 O VAL A 81 -1.935 1.350 0.796 1.00 0.00 O ATOM 1338 CB VAL A 81 1.064 1.278 -0.188 1.00 0.00 C ATOM 1339 CG1 VAL A 81 1.359 -0.224 -0.404 1.00 0.00 C ATOM 1340 CG2 VAL A 81 2.212 2.000 -0.902 1.00 0.00 C ATOM 0 H VAL A 81 -0.598 3.473 0.287 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.022 1.500 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 81 0.971 1.471 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.298 -0.484 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.551 -0.818 0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.436 -0.430 -1.472 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.163 1.685 -0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.193 1.753 -1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.097 3.077 -0.778 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.182 0.262 -1.171 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.490 -0.320 -0.918 1.00 0.00 C ATOM 1352 C ARG A 82 -3.434 -1.743 -0.407 1.00 0.00 C ATOM 1353 O ARG A 82 -2.484 -2.481 -0.679 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.369 -0.279 -2.204 1.00 0.00 C ATOM 1355 CG ARG A 82 -3.905 -1.179 -3.371 1.00 0.00 C ATOM 1356 CD ARG A 82 -5.028 -1.522 -4.362 1.00 0.00 C ATOM 1357 NE ARG A 82 -5.991 -2.458 -3.680 1.00 0.00 N ATOM 1358 CZ ARG A 82 -7.009 -3.096 -4.336 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -7.178 -2.949 -5.682 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -7.863 -3.895 -3.630 1.00 0.00 N ATOM 0 H ARG A 82 -1.798 -0.019 -2.073 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.933 0.291 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.386 -0.564 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.410 0.751 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.098 -0.679 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.494 -2.103 -2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.542 -0.616 -4.682 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -4.615 -1.988 -5.257 1.00 0.00 H new ATOM 0 HE ARG A 82 -5.879 -2.625 -2.680 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.541 -2.357 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.942 -3.431 -6.156 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -7.739 -4.011 -2.624 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -8.625 -4.375 -4.109 1.00 0.00 H new ATOM 1374 N THR A 83 -4.498 -2.159 0.327 1.00 0.00 N ATOM 1375 CA THR A 83 -4.679 -3.488 0.932 1.00 0.00 C ATOM 1376 C THR A 83 -5.576 -4.353 0.054 1.00 0.00 C ATOM 1377 O THR A 83 -6.689 -3.963 -0.303 1.00 0.00 O ATOM 1378 CB THR A 83 -5.246 -3.511 2.375 1.00 0.00 C ATOM 1379 OG1 THR A 83 -5.050 -2.274 3.054 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.532 -4.613 3.180 1.00 0.00 C ATOM 0 H THR A 83 -5.287 -1.541 0.517 1.00 0.00 H new ATOM 0 HA THR A 83 -3.664 -3.880 1.001 1.00 0.00 H new ATOM 0 HB THR A 83 -6.317 -3.697 2.299 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.424 -2.334 3.958 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.926 -4.635 4.196 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.702 -5.579 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.462 -4.406 3.210 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.104 -5.575 -0.298 1.00 0.00 N ATOM 1389 CA GLU A 84 -5.816 -6.490 -1.175 1.00 0.00 C ATOM 1390 C GLU A 84 -5.723 -7.952 -0.730 1.00 0.00 C ATOM 1391 O GLU A 84 -4.637 -8.450 -0.421 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.171 -6.352 -2.592 1.00 0.00 C ATOM 1393 CG GLU A 84 -5.914 -7.072 -3.739 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.192 -6.847 -5.070 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -4.023 -6.377 -5.056 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.805 -7.159 -6.126 1.00 0.00 O ATOM 0 H GLU A 84 -4.210 -5.940 0.030 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.874 -6.229 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.101 -5.292 -2.838 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.152 -6.736 -2.546 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.975 -8.140 -3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.937 -6.702 -3.806 1.00 0.00 H new ATOM 1403 N THR A 85 -6.862 -8.711 -0.815 1.00 0.00 N ATOM 1404 CA THR A 85 -6.971 -10.169 -0.718 1.00 0.00 C ATOM 1405 C THR A 85 -6.642 -10.689 -2.120 1.00 0.00 C ATOM 1406 O THR A 85 -7.385 -10.470 -3.079 1.00 0.00 O ATOM 1407 CB THR A 85 -8.398 -10.602 -0.343 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.340 -9.575 -0.646 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.461 -10.839 1.170 1.00 0.00 C ATOM 0 H THR A 85 -7.772 -8.275 -0.962 1.00 0.00 H new ATOM 0 HA THR A 85 -6.305 -10.559 0.052 1.00 0.00 H new ATOM 0 HB THR A 85 -8.639 -11.503 -0.907 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.240 -9.874 -0.400 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.469 -11.147 1.448 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.754 -11.621 1.446 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.205 -9.918 1.694 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.480 -11.361 -2.288 1.00 0.00 N ATOM 1418 CA ARG A 86 -4.998 -11.730 -3.616 1.00 0.00 C ATOM 1419 C ARG A 86 -4.593 -13.184 -3.591 1.00 0.00 C ATOM 1420 O ARG A 86 -4.016 -13.639 -2.603 1.00 0.00 O ATOM 1421 CB ARG A 86 -3.839 -10.790 -4.055 1.00 0.00 C ATOM 1422 CG ARG A 86 -3.341 -10.966 -5.507 1.00 0.00 C ATOM 1423 CD ARG A 86 -4.426 -10.742 -6.576 1.00 0.00 C ATOM 1424 NE ARG A 86 -3.825 -10.982 -7.938 1.00 0.00 N ATOM 1425 CZ ARG A 86 -3.944 -12.152 -8.641 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -4.679 -13.197 -8.162 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -3.315 -12.271 -9.847 1.00 0.00 N ATOM 0 H ARG A 86 -4.872 -11.651 -1.522 1.00 0.00 H new ATOM 0 HA ARG A 86 -5.786 -11.608 -4.359 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.165 -9.758 -3.926 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.996 -10.945 -3.381 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.521 -10.270 -5.685 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.936 -11.971 -5.621 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.265 -11.418 -6.409 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.817 -9.727 -6.510 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.294 -10.222 -8.365 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.154 -13.117 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.753 -14.059 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.765 -11.494 -10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -3.395 -13.136 -10.381 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.910 -13.949 -4.678 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.705 -15.390 -4.798 1.00 0.00 C ATOM 1443 C ARG A 87 -3.364 -15.772 -5.421 1.00 0.00 C ATOM 1444 O ARG A 87 -3.095 -15.444 -6.574 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.861 -16.059 -5.584 1.00 0.00 C ATOM 1446 CG ARG A 87 -5.938 -17.588 -5.381 1.00 0.00 C ATOM 1447 CD ARG A 87 -7.205 -18.244 -5.963 1.00 0.00 C ATOM 1448 NE ARG A 87 -8.436 -17.691 -5.285 1.00 0.00 N ATOM 1449 CZ ARG A 87 -8.871 -18.073 -4.042 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -8.227 -19.043 -3.332 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -9.966 -17.462 -3.501 1.00 0.00 N ATOM 0 H ARG A 87 -5.330 -13.545 -5.515 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.695 -15.765 -3.774 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.806 -15.611 -5.276 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.738 -15.847 -6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.062 -18.048 -5.839 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.889 -17.804 -4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.258 -18.061 -7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.160 -19.324 -5.826 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.980 -16.987 -5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.404 -19.500 -3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.568 -19.311 -2.409 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.451 -16.730 -4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.299 -17.737 -2.577 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.482 -16.477 -4.669 1.00 0.00 N ATOM 1466 CA ILE A 88 -1.155 -16.887 -5.135 1.00 0.00 C ATOM 1467 C ILE A 88 -0.940 -18.336 -4.743 1.00 0.00 C ATOM 1468 O ILE A 88 -1.089 -18.702 -3.581 1.00 0.00 O ATOM 1469 CB ILE A 88 -0.003 -15.982 -4.659 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.119 -15.498 -3.185 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.092 -14.811 -5.660 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -0.731 -14.095 -3.002 1.00 0.00 C ATOM 0 H ILE A 88 -2.684 -16.774 -3.715 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.135 -16.779 -6.219 1.00 0.00 H new ATOM 0 HB ILE A 88 0.918 -16.565 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.723 -16.216 -2.630 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.875 -15.505 -2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.898 -14.141 -5.361 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.295 -15.201 -6.658 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.850 -14.263 -5.669 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.768 -13.850 -1.941 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.118 -13.360 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.740 -14.082 -3.413 1.00 0.00 H new ATOM 1484 N GLY A 89 -0.655 -19.232 -5.747 1.00 0.00 N ATOM 1485 CA GLY A 89 -0.503 -20.712 -5.561 1.00 0.00 C ATOM 1486 C GLY A 89 -1.807 -21.419 -5.246 1.00 0.00 C ATOM 1487 O GLY A 89 -1.829 -22.495 -4.661 1.00 0.00 O ATOM 0 H GLY A 89 -0.524 -18.940 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.075 -21.142 -6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.206 -20.898 -4.754 1.00 0.00 H new ATOM 1491 N GLY A 90 -2.937 -20.756 -5.600 1.00 0.00 N ATOM 1492 CA GLY A 90 -4.315 -21.166 -5.267 1.00 0.00 C ATOM 1493 C GLY A 90 -4.801 -20.733 -3.889 1.00 0.00 C ATOM 1494 O GLY A 90 -5.793 -21.270 -3.407 1.00 0.00 O ATOM 0 H GLY A 90 -2.907 -19.893 -6.143 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.991 -20.758 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.381 -22.252 -5.334 1.00 0.00 H new ATOM 1498 N ALA A 91 -4.140 -19.764 -3.195 1.00 0.00 N ATOM 1499 CA ALA A 91 -4.510 -19.362 -1.848 1.00 0.00 C ATOM 1500 C ALA A 91 -4.482 -17.836 -1.719 1.00 0.00 C ATOM 1501 O ALA A 91 -3.563 -17.178 -2.206 1.00 0.00 O ATOM 1502 CB ALA A 91 -3.537 -20.016 -0.843 1.00 0.00 C ATOM 0 H ALA A 91 -3.341 -19.254 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.525 -19.695 -1.633 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.807 -19.720 0.171 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.597 -21.101 -0.932 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.519 -19.690 -1.057 1.00 0.00 H new ATOM 1508 N ASP A 92 -5.512 -17.233 -1.062 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.716 -15.804 -0.809 1.00 0.00 C ATOM 1510 C ASP A 92 -5.144 -15.340 0.541 1.00 0.00 C ATOM 1511 O ASP A 92 -5.567 -15.799 1.602 1.00 0.00 O ATOM 1512 CB ASP A 92 -7.206 -15.340 -0.971 1.00 0.00 C ATOM 1513 CG ASP A 92 -8.217 -16.115 -0.108 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -8.420 -17.332 -0.362 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.809 -15.485 0.809 1.00 0.00 O ATOM 0 H ASP A 92 -6.272 -17.789 -0.671 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.144 -15.311 -1.595 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.272 -14.281 -0.721 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.491 -15.439 -2.018 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.154 -14.412 0.535 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.507 -13.880 1.730 1.00 0.00 C ATOM 1522 C PHE A 93 -3.687 -12.378 1.664 1.00 0.00 C ATOM 1523 O PHE A 93 -4.271 -11.863 0.704 1.00 0.00 O ATOM 1524 CB PHE A 93 -1.982 -14.224 1.815 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.754 -15.707 1.644 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -2.029 -16.612 2.655 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.267 -16.191 0.443 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.828 -17.968 2.461 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -1.077 -17.539 0.235 1.00 0.00 C ATOM 1530 CZ PHE A 93 -1.355 -18.432 1.249 1.00 0.00 C ATOM 0 H PHE A 93 -3.785 -14.013 -0.328 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.958 -14.327 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.438 -13.677 1.045 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -1.585 -13.899 2.777 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.404 -16.257 3.604 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.031 -15.496 -0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.041 -18.664 3.259 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.712 -17.895 -0.717 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.203 -19.490 1.096 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.161 -11.620 2.669 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.250 -10.170 2.664 1.00 0.00 C ATOM 1542 C LEU A 94 -1.888 -9.619 2.235 1.00 0.00 C ATOM 1543 O LEU A 94 -0.887 -9.718 2.947 1.00 0.00 O ATOM 1544 CB LEU A 94 -3.772 -9.616 4.017 1.00 0.00 C ATOM 1545 CG LEU A 94 -4.887 -8.549 3.859 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.210 -9.273 3.539 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -5.092 -7.747 5.162 1.00 0.00 C ATOM 0 H LEU A 94 -2.678 -12.008 3.479 1.00 0.00 H new ATOM 0 HA LEU A 94 -3.994 -9.830 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.153 -10.443 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.939 -9.180 4.568 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.594 -7.863 3.065 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.008 -8.539 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.101 -9.838 2.613 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.458 -9.954 4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -5.880 -7.009 5.015 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.376 -8.426 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.164 -7.239 5.427 1.00 0.00 H new ATOM 1559 N VAL A 95 -1.852 -9.021 1.015 1.00 0.00 N ATOM 1560 CA VAL A 95 -0.680 -8.408 0.399 1.00 0.00 C ATOM 1561 C VAL A 95 -0.958 -6.905 0.353 1.00 0.00 C ATOM 1562 O VAL A 95 -2.114 -6.461 0.321 1.00 0.00 O ATOM 1563 CB VAL A 95 -0.351 -8.956 -1.009 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -0.113 -10.485 -0.932 1.00 0.00 C ATOM 1565 CG2 VAL A 95 -1.471 -8.658 -2.045 1.00 0.00 C ATOM 0 H VAL A 95 -2.680 -8.959 0.423 1.00 0.00 H new ATOM 0 HA VAL A 95 0.203 -8.646 0.992 1.00 0.00 H new ATOM 0 HB VAL A 95 0.551 -8.446 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.119 -10.868 -1.926 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.721 -10.690 -0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.011 -10.974 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.187 -9.065 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.402 -9.119 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.610 -7.580 -2.130 1.00 0.00 H new ATOM 1575 N TRP A 96 0.124 -6.097 0.329 1.00 0.00 N ATOM 1576 CA TRP A 96 0.024 -4.620 0.274 1.00 0.00 C ATOM 1577 C TRP A 96 0.707 -4.192 -1.042 1.00 0.00 C ATOM 1578 O TRP A 96 1.715 -4.783 -1.430 1.00 0.00 O ATOM 1579 CB TRP A 96 0.826 -4.160 1.528 1.00 0.00 C ATOM 1580 CG TRP A 96 0.538 -2.826 2.189 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.356 -1.852 1.877 1.00 0.00 C ATOM 1582 CD2 TRP A 96 1.129 -2.441 3.440 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.302 -0.838 2.799 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.582 -1.210 3.795 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.030 -3.081 4.238 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.946 -0.597 4.964 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.280 -2.537 5.476 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.778 -1.300 5.817 1.00 0.00 C ATOM 0 H TRP A 96 1.083 -6.444 0.347 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.983 -4.203 0.285 1.00 0.00 H new ATOM 0 HB2 TRP A 96 0.697 -4.929 2.290 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.880 -4.159 1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.017 -1.873 1.023 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -0.823 0.038 2.757 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.529 -3.981 3.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.598 0.395 5.210 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 2.877 -3.086 6.189 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.040 -0.869 6.772 1.00 0.00 H new ATOM 1599 N ARG A 97 0.232 -3.165 -1.805 1.00 0.00 N ATOM 1600 CA ARG A 97 0.952 -2.779 -3.018 1.00 0.00 C ATOM 1601 C ARG A 97 0.790 -1.339 -3.380 1.00 0.00 C ATOM 1602 O ARG A 97 -0.211 -0.714 -3.041 1.00 0.00 O ATOM 1603 CB ARG A 97 0.515 -3.576 -4.274 1.00 0.00 C ATOM 1604 CG ARG A 97 -0.942 -3.346 -4.752 1.00 0.00 C ATOM 1605 CD ARG A 97 -1.324 -4.181 -5.979 1.00 0.00 C ATOM 1606 NE ARG A 97 -2.708 -3.772 -6.407 1.00 0.00 N ATOM 1607 CZ ARG A 97 -3.281 -4.174 -7.584 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -2.611 -4.990 -8.448 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -4.543 -3.753 -7.891 1.00 0.00 N ATOM 0 H ARG A 97 -0.607 -2.622 -1.601 1.00 0.00 H new ATOM 0 HA ARG A 97 1.987 -2.997 -2.756 1.00 0.00 H new ATOM 0 HB2 ARG A 97 1.189 -3.324 -5.093 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.646 -4.639 -4.069 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.625 -3.582 -3.936 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.077 -2.290 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.611 -4.018 -6.788 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.298 -5.244 -5.740 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.246 -3.165 -5.789 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.669 -5.310 -8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.052 -5.281 -9.321 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.049 -3.145 -7.246 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.980 -4.046 -8.765 1.00 0.00 H new ATOM 1623 N TRP A 98 1.824 -0.756 -4.055 1.00 0.00 N ATOM 1624 CA TRP A 98 1.928 0.652 -4.335 1.00 0.00 C ATOM 1625 C TRP A 98 1.612 0.960 -5.774 1.00 0.00 C ATOM 1626 O TRP A 98 2.273 0.446 -6.660 1.00 0.00 O ATOM 1627 CB TRP A 98 3.341 1.123 -3.879 1.00 0.00 C ATOM 1628 CG TRP A 98 3.605 2.634 -4.058 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.717 3.678 -4.057 1.00 0.00 C ATOM 1630 CD2 TRP A 98 4.439 2.844 -5.177 1.00 0.00 C ATOM 1631 NE1 TRP A 98 2.784 4.335 -5.264 1.00 0.00 N ATOM 1632 CE2 TRP A 98 3.790 3.739 -5.991 1.00 0.00 C ATOM 1633 CE3 TRP A 98 5.527 2.161 -5.567 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 4.176 3.861 -7.280 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 5.999 2.367 -6.827 1.00 0.00 C ATOM 1636 CH2 TRP A 98 5.303 3.185 -7.687 1.00 0.00 C ATOM 0 H TRP A 98 2.613 -1.293 -4.416 1.00 0.00 H new ATOM 0 HA TRP A 98 1.181 1.215 -3.775 1.00 0.00 H new ATOM 0 HB2 TRP A 98 3.473 0.867 -2.828 1.00 0.00 H new ATOM 0 HB3 TRP A 98 4.093 0.567 -4.439 1.00 0.00 H new ATOM 0 HD1 TRP A 98 2.066 3.943 -3.237 1.00 0.00 H new ATOM 0 HE1 TRP A 98 2.199 5.115 -5.563 1.00 0.00 H new ATOM 0 HE3 TRP A 98 6.015 1.467 -4.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 3.615 4.472 -7.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 6.914 1.892 -7.149 1.00 0.00 H new ATOM 0 HH2 TRP A 98 5.649 3.299 -8.704 1.00 0.00 H new ATOM 1647 N ILE A 99 0.585 1.811 -5.995 1.00 0.00 N ATOM 1648 CA ILE A 99 0.058 2.266 -7.254 1.00 0.00 C ATOM 1649 C ILE A 99 0.195 3.786 -7.268 1.00 0.00 C ATOM 1650 O ILE A 99 -0.275 4.467 -6.357 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.397 1.783 -7.400 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.319 2.176 -6.202 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -1.302 0.246 -7.518 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.717 1.537 -6.221 1.00 0.00 C ATOM 0 H ILE A 99 0.075 2.220 -5.212 1.00 0.00 H new ATOM 0 HA ILE A 99 0.600 1.860 -8.109 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.856 2.258 -8.267 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.821 1.897 -5.273 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.432 3.260 -6.190 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.302 -0.173 -7.625 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -0.703 -0.016 -8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -0.833 -0.159 -6.621 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.281 1.870 -5.350 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.241 1.836 -7.129 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.621 0.451 -6.198 1.00 0.00 H new ATOM 1666 N GLN A 100 0.874 4.353 -8.304 1.00 0.00 N ATOM 1667 CA GLN A 100 1.104 5.767 -8.587 1.00 0.00 C ATOM 1668 C GLN A 100 -0.214 6.360 -9.102 1.00 0.00 C ATOM 1669 O GLN A 100 -0.594 5.925 -10.196 1.00 0.00 O ATOM 1670 CB GLN A 100 2.164 6.019 -9.724 1.00 0.00 C ATOM 1671 CG GLN A 100 2.528 7.513 -9.775 1.00 0.00 C ATOM 1672 CD GLN A 100 2.466 8.040 -11.191 1.00 0.00 C ATOM 1673 OE1 GLN A 100 1.630 8.880 -11.513 1.00 0.00 O ATOM 1674 NE2 GLN A 100 3.336 7.495 -12.077 1.00 0.00 N ATOM 0 H GLN A 100 1.306 3.764 -9.016 1.00 0.00 H new ATOM 0 HA GLN A 100 1.471 6.217 -7.665 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.058 5.424 -9.539 1.00 0.00 H new ATOM 0 HB3 GLN A 100 1.762 5.700 -10.686 1.00 0.00 H new ATOM 0 HG2 GLN A 100 1.844 8.079 -9.143 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.530 7.660 -9.372 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.014 6.800 -11.764 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.312 7.780 -13.056 1.00 0.00 H new