USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 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 Single : A 32 TYR OH : rot 180:sc= -0.223 USER MOD Single : A 34 TYR OH : rot 51:sc= 1.36 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.02 K(o=-0.02,f=-1.6!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.45 K(o=-1.5,f=-4.1!) USER MOD Single : A 50 MET CE :methyl 180:sc= -0.0175 (180deg=-0.0175) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -140:sc= -1.33 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 136:sc= 0.278 USER MOD Single : A 76 ASN : amide:sc= -14.4! C(o=-14!,f=-20!) USER MOD Single : A 77 TYR OH : rot 10:sc= 0.0724 USER MOD Single : A 83 SER OG : rot -45:sc= 0.571 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.406 -8.791 -15.425 1.00 0.00 N ATOM 324 CA ILE A 26 -2.631 -7.569 -15.558 1.00 0.00 C ATOM 325 C ILE A 26 -1.580 -7.514 -14.448 1.00 0.00 C ATOM 326 O ILE A 26 -1.892 -7.174 -13.309 1.00 0.00 O ATOM 327 CB ILE A 26 -3.554 -6.349 -15.591 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.315 -6.274 -16.916 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.776 -5.065 -15.302 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.459 -5.622 -18.003 1.00 0.00 C ATOM 0 HA ILE A 26 -2.095 -7.560 -16.507 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.296 -6.459 -14.800 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.606 -7.277 -17.230 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.234 -5.703 -16.780 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.456 -4.213 -15.332 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.319 -5.131 -14.314 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.998 -4.934 -16.054 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.023 -5.581 -18.935 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.190 -4.611 -17.697 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.553 -6.209 -18.153 1.00 0.00 H new ATOM 342 N ILE A 27 -0.354 -7.854 -14.820 1.00 0.00 N ATOM 343 CA ILE A 27 0.746 -7.848 -13.870 1.00 0.00 C ATOM 344 C ILE A 27 1.419 -6.474 -13.886 1.00 0.00 C ATOM 345 O ILE A 27 1.755 -5.956 -14.949 1.00 0.00 O ATOM 346 CB ILE A 27 1.704 -9.006 -14.152 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.934 -10.281 -14.501 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.666 -9.219 -12.982 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.308 -10.904 -13.251 1.00 0.00 C ATOM 0 H ILE A 27 -0.098 -8.135 -15.766 1.00 0.00 H new ATOM 0 HA ILE A 27 0.377 -8.011 -12.858 1.00 0.00 H new ATOM 0 HB ILE A 27 2.308 -8.746 -15.021 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.154 -10.052 -15.227 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.606 -10.999 -14.972 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.336 -10.048 -13.208 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.251 -8.313 -12.822 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.098 -9.448 -12.081 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.233 -11.809 -13.528 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.093 -11.155 -12.537 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.382 -10.193 -12.797 1.00 0.00 H new ATOM 361 N VAL A 28 1.597 -5.925 -12.694 1.00 0.00 N ATOM 362 CA VAL A 28 2.225 -4.621 -12.557 1.00 0.00 C ATOM 363 C VAL A 28 3.233 -4.663 -11.407 1.00 0.00 C ATOM 364 O VAL A 28 2.934 -5.180 -10.332 1.00 0.00 O ATOM 365 CB VAL A 28 1.155 -3.541 -12.374 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.279 -3.422 -13.622 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.306 -3.815 -11.131 1.00 0.00 C ATOM 0 H VAL A 28 1.318 -6.359 -11.814 1.00 0.00 H new ATOM 0 HA VAL A 28 2.775 -4.366 -13.463 1.00 0.00 H new ATOM 0 HB VAL A 28 1.662 -2.587 -12.228 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.473 -2.648 -13.466 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.900 -3.158 -14.478 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.215 -4.375 -13.812 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.446 -3.033 -11.024 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.187 -4.782 -11.233 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.946 -3.826 -10.249 1.00 0.00 H new ATOM 377 N VAL A 29 4.410 -4.114 -11.674 1.00 0.00 N ATOM 378 CA VAL A 29 5.464 -4.083 -10.674 1.00 0.00 C ATOM 379 C VAL A 29 5.397 -2.760 -9.909 1.00 0.00 C ATOM 380 O VAL A 29 5.233 -1.699 -10.510 1.00 0.00 O ATOM 381 CB VAL A 29 6.822 -4.321 -11.339 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.360 -3.032 -11.964 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.824 -4.909 -10.344 1.00 0.00 C ATOM 0 H VAL A 29 4.656 -3.688 -12.567 1.00 0.00 H new ATOM 0 HA VAL A 29 5.326 -4.885 -9.949 1.00 0.00 H new ATOM 0 HB VAL A 29 6.681 -5.047 -12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.326 -3.229 -12.430 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.660 -2.674 -12.718 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.478 -2.274 -11.190 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.780 -5.068 -10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.959 -4.218 -9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.448 -5.860 -9.968 1.00 0.00 H new ATOM 393 N ALA A 30 5.528 -2.866 -8.595 1.00 0.00 N ATOM 394 CA ALA A 30 5.484 -1.691 -7.741 1.00 0.00 C ATOM 395 C ALA A 30 6.687 -0.797 -8.050 1.00 0.00 C ATOM 396 O ALA A 30 7.833 -1.215 -7.892 1.00 0.00 O ATOM 397 CB ALA A 30 5.442 -2.126 -6.276 1.00 0.00 C ATOM 0 H ALA A 30 5.665 -3.748 -8.101 1.00 0.00 H new ATOM 0 HA ALA A 30 4.582 -1.109 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.409 -1.245 -5.636 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.554 -2.734 -6.102 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.333 -2.710 -6.044 1.00 0.00 H new ATOM 403 N LEU A 31 6.384 0.418 -8.484 1.00 0.00 N ATOM 404 CA LEU A 31 7.426 1.376 -8.816 1.00 0.00 C ATOM 405 C LEU A 31 8.033 1.931 -7.525 1.00 0.00 C ATOM 406 O LEU A 31 9.110 2.523 -7.546 1.00 0.00 O ATOM 407 CB LEU A 31 6.884 2.454 -9.755 1.00 0.00 C ATOM 408 CG LEU A 31 6.501 1.988 -11.161 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.033 3.165 -12.020 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.652 1.223 -11.818 1.00 0.00 C ATOM 0 H LEU A 31 5.432 0.761 -8.613 1.00 0.00 H new ATOM 0 HA LEU A 31 8.232 0.887 -9.363 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.006 2.904 -9.291 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.634 3.239 -9.846 1.00 0.00 H new ATOM 0 HG LEU A 31 5.662 1.297 -11.075 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.767 2.807 -13.014 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.163 3.630 -11.557 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.836 3.898 -12.101 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.353 0.903 -12.816 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.525 1.871 -11.891 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.899 0.349 -11.216 1.00 0.00 H new ATOM 422 N TYR A 32 7.313 1.720 -6.433 1.00 0.00 N ATOM 423 CA TYR A 32 7.766 2.193 -5.136 1.00 0.00 C ATOM 424 C TYR A 32 7.077 1.429 -4.003 1.00 0.00 C ATOM 425 O TYR A 32 5.938 0.992 -4.147 1.00 0.00 O ATOM 426 CB TYR A 32 7.362 3.667 -5.060 1.00 0.00 C ATOM 427 CG TYR A 32 7.401 4.393 -6.406 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.590 4.910 -6.877 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.246 4.530 -7.149 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.626 5.593 -8.145 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.282 5.213 -8.416 1.00 0.00 C ATOM 432 CZ TYR A 32 7.470 5.711 -8.852 1.00 0.00 C ATOM 433 OH TYR A 32 7.504 6.356 -10.048 1.00 0.00 O ATOM 0 H TYR A 32 6.420 1.228 -6.420 1.00 0.00 H new ATOM 0 HA TYR A 32 8.841 2.048 -5.028 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.354 3.736 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.025 4.179 -4.363 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.494 4.803 -6.295 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.315 4.125 -6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.550 6.002 -8.526 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.385 5.327 -9.007 1.00 0.00 H new ATOM 0 HH TYR A 32 6.606 6.363 -10.441 1.00 0.00 H new ATOM 443 N ASP A 33 7.799 1.293 -2.900 1.00 0.00 N ATOM 444 CA ASP A 33 7.272 0.590 -1.744 1.00 0.00 C ATOM 445 C ASP A 33 5.987 1.275 -1.277 1.00 0.00 C ATOM 446 O ASP A 33 5.895 2.502 -1.285 1.00 0.00 O ATOM 447 CB ASP A 33 8.269 0.615 -0.583 1.00 0.00 C ATOM 448 CG ASP A 33 9.721 0.327 -0.971 1.00 0.00 C ATOM 449 OD1 ASP A 33 10.390 1.286 -1.413 1.00 0.00 O ATOM 450 OD2 ASP A 33 10.129 -0.843 -0.815 1.00 0.00 O ATOM 0 H ASP A 33 8.744 1.658 -2.783 1.00 0.00 H new ATOM 0 HA ASP A 33 7.082 -0.443 -2.036 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.224 1.594 -0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.956 -0.117 0.161 1.00 0.00 H new ATOM 455 N TYR A 34 5.025 0.453 -0.882 1.00 0.00 N ATOM 456 CA TYR A 34 3.749 0.965 -0.413 1.00 0.00 C ATOM 457 C TYR A 34 3.231 0.146 0.771 1.00 0.00 C ATOM 458 O TYR A 34 3.233 -1.083 0.729 1.00 0.00 O ATOM 459 CB TYR A 34 2.778 0.813 -1.586 1.00 0.00 C ATOM 460 CG TYR A 34 1.399 1.425 -1.334 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.227 2.793 -1.407 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.326 0.611 -1.037 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.071 3.369 -1.169 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.973 1.187 -0.800 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.107 2.537 -0.879 1.00 0.00 C ATOM 466 OH TYR A 34 -2.333 3.082 -0.655 1.00 0.00 O ATOM 0 H TYR A 34 5.104 -0.564 -0.877 1.00 0.00 H new ATOM 0 HA TYR A 34 3.848 1.999 -0.083 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.215 1.279 -2.469 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.658 -0.247 -1.811 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.066 3.431 -1.643 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.460 -0.459 -0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.219 4.438 -1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.821 0.560 -0.565 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.562 3.686 -1.392 1.00 0.00 H new ATOM 476 N GLU A 35 2.800 0.860 1.800 1.00 0.00 N ATOM 477 CA GLU A 35 2.281 0.216 2.994 1.00 0.00 C ATOM 478 C GLU A 35 0.854 0.691 3.275 1.00 0.00 C ATOM 479 O GLU A 35 0.574 1.222 4.349 1.00 0.00 O ATOM 480 CB GLU A 35 3.192 0.472 4.196 1.00 0.00 C ATOM 481 CG GLU A 35 3.835 -0.827 4.684 1.00 0.00 C ATOM 482 CD GLU A 35 3.988 -0.826 6.206 1.00 0.00 C ATOM 483 OE1 GLU A 35 4.711 0.065 6.703 1.00 0.00 O ATOM 484 OE2 GLU A 35 3.378 -1.715 6.838 1.00 0.00 O ATOM 0 H GLU A 35 2.800 1.880 1.831 1.00 0.00 H new ATOM 0 HA GLU A 35 2.257 -0.860 2.822 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.969 1.186 3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.616 0.922 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.225 -1.676 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.812 -0.951 4.217 1.00 0.00 H new ATOM 491 N ALA A 36 -0.011 0.482 2.293 1.00 0.00 N ATOM 492 CA ALA A 36 -1.401 0.883 2.422 1.00 0.00 C ATOM 493 C ALA A 36 -1.474 2.231 3.142 1.00 0.00 C ATOM 494 O ALA A 36 -1.706 2.283 4.348 1.00 0.00 O ATOM 495 CB ALA A 36 -2.182 -0.212 3.153 1.00 0.00 C ATOM 0 H ALA A 36 0.225 0.040 1.404 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.857 1.009 1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.225 0.088 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.123 -1.141 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.754 -0.364 4.144 1.00 0.00 H new ATOM 569 N ASP A 41 -6.802 -0.541 0.737 1.00 0.00 N ATOM 570 CA ASP A 41 -5.641 -0.559 -0.136 1.00 0.00 C ATOM 571 C ASP A 41 -4.688 -1.668 0.314 1.00 0.00 C ATOM 572 O ASP A 41 -4.576 -1.950 1.506 1.00 0.00 O ATOM 573 CB ASP A 41 -4.885 0.769 -0.073 1.00 0.00 C ATOM 574 CG ASP A 41 -5.071 1.676 -1.291 1.00 0.00 C ATOM 575 OD1 ASP A 41 -4.386 1.416 -2.304 1.00 0.00 O ATOM 576 OD2 ASP A 41 -5.894 2.611 -1.181 1.00 0.00 O ATOM 0 HA ASP A 41 -5.987 -0.729 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.205 1.311 0.817 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.822 0.560 0.047 1.00 0.00 H new ATOM 581 N LEU A 42 -4.025 -2.268 -0.663 1.00 0.00 N ATOM 582 CA LEU A 42 -3.084 -3.339 -0.383 1.00 0.00 C ATOM 583 C LEU A 42 -1.682 -2.750 -0.217 1.00 0.00 C ATOM 584 O LEU A 42 -1.373 -1.703 -0.783 1.00 0.00 O ATOM 585 CB LEU A 42 -3.171 -4.423 -1.458 1.00 0.00 C ATOM 586 CG LEU A 42 -2.501 -5.758 -1.122 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.393 -6.607 -0.215 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.100 -6.506 -2.395 1.00 0.00 C ATOM 0 H LEU A 42 -4.121 -2.033 -1.651 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.337 -3.832 0.556 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.223 -4.611 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.724 -4.035 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.585 -5.550 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.893 -7.550 0.008 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.585 -6.069 0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.338 -6.808 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.626 -7.451 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.988 -6.702 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.400 -5.899 -2.969 1.00 0.00 H new ATOM 600 N SER A 43 -0.871 -3.449 0.564 1.00 0.00 N ATOM 601 CA SER A 43 0.492 -3.009 0.813 1.00 0.00 C ATOM 602 C SER A 43 1.476 -3.901 0.055 1.00 0.00 C ATOM 603 O SER A 43 1.324 -5.121 0.035 1.00 0.00 O ATOM 604 CB SER A 43 0.810 -3.018 2.309 1.00 0.00 C ATOM 605 OG SER A 43 0.529 -4.281 2.907 1.00 0.00 O ATOM 0 H SER A 43 -1.131 -4.317 1.033 1.00 0.00 H new ATOM 0 HA SER A 43 0.591 -1.984 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.862 -2.772 2.458 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.228 -2.243 2.808 1.00 0.00 H new ATOM 0 HG SER A 43 0.747 -4.247 3.862 1.00 0.00 H new ATOM 611 N PHE A 44 2.466 -3.258 -0.549 1.00 0.00 N ATOM 612 CA PHE A 44 3.475 -3.979 -1.305 1.00 0.00 C ATOM 613 C PHE A 44 4.839 -3.296 -1.189 1.00 0.00 C ATOM 614 O PHE A 44 5.001 -2.353 -0.416 1.00 0.00 O ATOM 615 CB PHE A 44 3.032 -3.962 -2.770 1.00 0.00 C ATOM 616 CG PHE A 44 2.537 -2.599 -3.255 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.420 -1.690 -3.747 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.213 -2.296 -3.194 1.00 0.00 C ATOM 619 CE1 PHE A 44 2.960 -0.424 -4.197 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.753 -1.029 -3.643 1.00 0.00 C ATOM 621 CZ PHE A 44 1.636 -0.121 -4.136 1.00 0.00 C ATOM 0 H PHE A 44 2.590 -2.246 -0.530 1.00 0.00 H new ATOM 0 HA PHE A 44 3.574 -4.994 -0.921 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.868 -4.277 -3.395 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.237 -4.695 -2.907 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.472 -1.931 -3.796 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.511 -3.018 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.662 0.298 -4.588 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.298 -0.787 -3.593 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.286 0.841 -4.479 1.00 0.00 H new ATOM 631 N GLN A 45 5.785 -3.798 -1.969 1.00 0.00 N ATOM 632 CA GLN A 45 7.130 -3.248 -1.963 1.00 0.00 C ATOM 633 C GLN A 45 7.583 -2.939 -3.392 1.00 0.00 C ATOM 634 O GLN A 45 7.054 -3.500 -4.349 1.00 0.00 O ATOM 635 CB GLN A 45 8.108 -4.199 -1.271 1.00 0.00 C ATOM 636 CG GLN A 45 7.950 -4.138 0.249 1.00 0.00 C ATOM 637 CD GLN A 45 8.634 -5.331 0.921 1.00 0.00 C ATOM 638 OE1 GLN A 45 8.954 -6.329 0.295 1.00 0.00 O ATOM 639 NE2 GLN A 45 8.841 -5.172 2.225 1.00 0.00 N ATOM 0 H GLN A 45 5.647 -4.580 -2.609 1.00 0.00 H new ATOM 0 HA GLN A 45 7.119 -2.317 -1.397 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.936 -5.218 -1.617 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.130 -3.937 -1.545 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.379 -3.209 0.626 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.891 -4.128 0.508 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.548 -4.311 2.687 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.293 -5.911 2.764 1.00 0.00 H new ATOM 648 N LYS A 46 8.559 -2.048 -3.489 1.00 0.00 N ATOM 649 CA LYS A 46 9.089 -1.657 -4.784 1.00 0.00 C ATOM 650 C LYS A 46 9.739 -2.871 -5.451 1.00 0.00 C ATOM 651 O LYS A 46 10.844 -3.268 -5.086 1.00 0.00 O ATOM 652 CB LYS A 46 10.029 -0.459 -4.639 1.00 0.00 C ATOM 653 CG LYS A 46 10.472 0.061 -6.008 1.00 0.00 C ATOM 654 CD LYS A 46 11.895 0.619 -5.949 1.00 0.00 C ATOM 655 CE LYS A 46 12.647 0.342 -7.253 1.00 0.00 C ATOM 656 NZ LYS A 46 14.056 -0.014 -6.972 1.00 0.00 N ATOM 0 H LYS A 46 8.996 -1.586 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 46 8.285 -1.324 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.527 0.337 -4.089 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.903 -0.747 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.424 -0.745 -6.740 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.786 0.839 -6.345 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.861 1.693 -5.766 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.431 0.170 -5.113 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.161 -0.470 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.609 1.221 -7.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.552 -0.199 -7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.520 0.773 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.087 -0.866 -6.377 1.00 0.00 H new ATOM 670 N GLY A 47 9.024 -3.428 -6.418 1.00 0.00 N ATOM 671 CA GLY A 47 9.517 -4.589 -7.139 1.00 0.00 C ATOM 672 C GLY A 47 8.568 -5.777 -6.980 1.00 0.00 C ATOM 673 O GLY A 47 8.833 -6.863 -7.496 1.00 0.00 O ATOM 0 H GLY A 47 8.107 -3.097 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.627 -4.346 -8.196 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.507 -4.858 -6.769 1.00 0.00 H new ATOM 677 N ASP A 48 7.480 -5.533 -6.265 1.00 0.00 N ATOM 678 CA ASP A 48 6.489 -6.570 -6.031 1.00 0.00 C ATOM 679 C ASP A 48 5.489 -6.585 -7.189 1.00 0.00 C ATOM 680 O ASP A 48 5.035 -5.532 -7.636 1.00 0.00 O ATOM 681 CB ASP A 48 5.711 -6.308 -4.739 1.00 0.00 C ATOM 682 CG ASP A 48 5.531 -7.528 -3.835 1.00 0.00 C ATOM 683 OD1 ASP A 48 5.125 -8.581 -4.376 1.00 0.00 O ATOM 684 OD2 ASP A 48 5.802 -7.383 -2.623 1.00 0.00 O ATOM 0 H ASP A 48 7.263 -4.632 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 48 7.012 -7.523 -5.951 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.224 -5.529 -4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.727 -5.918 -4.998 1.00 0.00 H new ATOM 689 N GLN A 49 5.176 -7.789 -7.643 1.00 0.00 N ATOM 690 CA GLN A 49 4.237 -7.954 -8.741 1.00 0.00 C ATOM 691 C GLN A 49 2.861 -8.355 -8.207 1.00 0.00 C ATOM 692 O GLN A 49 2.756 -9.204 -7.322 1.00 0.00 O ATOM 693 CB GLN A 49 4.753 -8.980 -9.752 1.00 0.00 C ATOM 694 CG GLN A 49 6.090 -8.537 -10.349 1.00 0.00 C ATOM 695 CD GLN A 49 5.974 -8.329 -11.861 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.496 -9.089 -12.660 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.260 -7.262 -12.207 1.00 0.00 N ATOM 0 H GLN A 49 5.555 -8.660 -7.271 1.00 0.00 H new ATOM 0 HA GLN A 49 4.140 -6.999 -9.258 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.871 -9.948 -9.265 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.021 -9.111 -10.549 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.415 -7.611 -9.875 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.852 -9.287 -10.139 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.850 -6.667 -11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.122 -7.038 -13.193 1.00 0.00 H new ATOM 706 N MET A 50 1.838 -7.725 -8.766 1.00 0.00 N ATOM 707 CA MET A 50 0.472 -8.004 -8.357 1.00 0.00 C ATOM 708 C MET A 50 -0.405 -8.336 -9.566 1.00 0.00 C ATOM 709 O MET A 50 -0.164 -7.842 -10.667 1.00 0.00 O ATOM 710 CB MET A 50 -0.102 -6.788 -7.628 1.00 0.00 C ATOM 711 CG MET A 50 0.794 -6.378 -6.457 1.00 0.00 C ATOM 712 SD MET A 50 0.366 -4.736 -5.906 1.00 0.00 S ATOM 713 CE MET A 50 1.851 -3.857 -6.363 1.00 0.00 C ATOM 0 H MET A 50 1.928 -7.022 -9.499 1.00 0.00 H new ATOM 0 HA MET A 50 0.481 -8.866 -7.691 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.201 -5.955 -8.324 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.103 -7.018 -7.262 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.681 -7.087 -5.637 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.840 -6.407 -6.761 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.752 -2.807 -6.087 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.705 -4.290 -5.842 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.004 -3.936 -7.439 1.00 0.00 H new ATOM 723 N VAL A 51 -1.405 -9.169 -9.321 1.00 0.00 N ATOM 724 CA VAL A 51 -2.320 -9.571 -10.375 1.00 0.00 C ATOM 725 C VAL A 51 -3.550 -8.662 -10.353 1.00 0.00 C ATOM 726 O VAL A 51 -4.503 -8.919 -9.619 1.00 0.00 O ATOM 727 CB VAL A 51 -2.670 -11.053 -10.228 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.789 -11.451 -11.192 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.433 -11.931 -10.431 1.00 0.00 C ATOM 0 H VAL A 51 -1.602 -9.577 -8.407 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.849 -9.457 -11.352 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.031 -11.212 -9.212 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.018 -12.509 -11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.680 -10.859 -10.980 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.468 -11.268 -12.217 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.709 -12.980 -10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.029 -11.765 -11.430 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.679 -11.675 -9.687 1.00 0.00 H new ATOM 739 N VAL A 52 -3.489 -7.617 -11.166 1.00 0.00 N ATOM 740 CA VAL A 52 -4.585 -6.668 -11.249 1.00 0.00 C ATOM 741 C VAL A 52 -5.849 -7.394 -11.716 1.00 0.00 C ATOM 742 O VAL A 52 -5.881 -7.946 -12.815 1.00 0.00 O ATOM 743 CB VAL A 52 -4.198 -5.498 -12.156 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.442 -4.773 -12.675 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.261 -4.530 -11.432 1.00 0.00 C ATOM 0 H VAL A 52 -2.697 -7.407 -11.773 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.797 -6.244 -10.268 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.663 -5.902 -13.015 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.140 -3.946 -13.317 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.057 -5.469 -13.245 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.016 -4.387 -11.833 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.001 -3.708 -12.099 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.759 -4.135 -10.546 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.354 -5.056 -11.134 1.00 0.00 H new ATOM 755 N LEU A 53 -6.858 -7.370 -10.858 1.00 0.00 N ATOM 756 CA LEU A 53 -8.120 -8.019 -11.169 1.00 0.00 C ATOM 757 C LEU A 53 -9.121 -6.972 -11.659 1.00 0.00 C ATOM 758 O LEU A 53 -9.704 -7.119 -12.732 1.00 0.00 O ATOM 759 CB LEU A 53 -8.616 -8.830 -9.969 1.00 0.00 C ATOM 760 CG LEU A 53 -7.557 -9.653 -9.232 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.124 -10.243 -7.940 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.967 -10.731 -10.144 1.00 0.00 C ATOM 0 H LEU A 53 -6.827 -6.911 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.989 -8.738 -11.978 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.075 -8.144 -9.257 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.400 -9.506 -10.311 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.741 -8.987 -8.952 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.352 -10.823 -7.435 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.457 -9.436 -7.287 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.968 -10.891 -8.176 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.217 -11.301 -9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.760 -11.400 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.503 -10.260 -11.011 1.00 0.00 H new ATOM 774 N GLU A 54 -9.290 -5.937 -10.848 1.00 0.00 N ATOM 775 CA GLU A 54 -10.210 -4.865 -11.186 1.00 0.00 C ATOM 776 C GLU A 54 -9.456 -3.540 -11.319 1.00 0.00 C ATOM 777 O GLU A 54 -8.513 -3.280 -10.574 1.00 0.00 O ATOM 778 CB GLU A 54 -11.329 -4.756 -10.148 1.00 0.00 C ATOM 779 CG GLU A 54 -12.528 -5.621 -10.542 1.00 0.00 C ATOM 780 CD GLU A 54 -12.997 -5.296 -11.961 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.136 -4.088 -12.250 1.00 0.00 O ATOM 782 OE2 GLU A 54 -13.206 -6.264 -12.725 1.00 0.00 O ATOM 0 H GLU A 54 -8.805 -5.819 -9.958 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.670 -5.097 -12.146 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.956 -5.067 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.642 -3.716 -10.053 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.257 -6.675 -10.477 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.345 -5.458 -9.839 1.00 0.00 H new ATOM 822 N GLU A 58 -7.921 4.645 -11.107 1.00 0.00 N ATOM 823 CA GLU A 58 -6.546 4.828 -10.675 1.00 0.00 C ATOM 824 C GLU A 58 -6.070 3.606 -9.887 1.00 0.00 C ATOM 825 O GLU A 58 -5.153 2.906 -10.313 1.00 0.00 O ATOM 826 CB GLU A 58 -6.397 6.106 -9.846 1.00 0.00 C ATOM 827 CG GLU A 58 -6.374 7.342 -10.746 1.00 0.00 C ATOM 828 CD GLU A 58 -5.315 7.204 -11.842 1.00 0.00 C ATOM 829 OE1 GLU A 58 -4.325 6.485 -11.587 1.00 0.00 O ATOM 830 OE2 GLU A 58 -5.521 7.819 -12.911 1.00 0.00 O ATOM 0 HA GLU A 58 -5.919 4.933 -11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.222 6.183 -9.138 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.478 6.060 -9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.355 7.484 -11.199 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.168 8.229 -10.146 1.00 0.00 H new ATOM 837 N TRP A 59 -6.716 3.385 -8.750 1.00 0.00 N ATOM 838 CA TRP A 59 -6.369 2.260 -7.899 1.00 0.00 C ATOM 839 C TRP A 59 -7.019 1.005 -8.487 1.00 0.00 C ATOM 840 O TRP A 59 -8.182 1.033 -8.885 1.00 0.00 O ATOM 841 CB TRP A 59 -6.780 2.522 -6.450 1.00 0.00 C ATOM 842 CG TRP A 59 -6.258 3.845 -5.884 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.672 5.086 -6.171 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.200 4.008 -4.915 1.00 0.00 C ATOM 845 NE1 TRP A 59 -5.961 6.033 -5.463 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.038 5.356 -4.674 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.407 3.046 -4.265 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.090 5.866 -3.780 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.463 3.572 -3.374 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.288 4.928 -3.120 1.00 0.00 C ATOM 0 H TRP A 59 -7.477 3.966 -8.399 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.289 2.114 -7.873 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.868 2.515 -6.385 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.418 1.704 -5.827 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.463 5.317 -6.869 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.089 7.044 -5.510 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.517 1.986 -4.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -3.983 6.927 -3.608 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.827 2.876 -2.848 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.537 5.256 -2.417 1.00 0.00 H new ATOM 861 N TRP A 60 -6.239 -0.065 -8.523 1.00 0.00 N ATOM 862 CA TRP A 60 -6.723 -1.327 -9.055 1.00 0.00 C ATOM 863 C TRP A 60 -6.618 -2.379 -7.949 1.00 0.00 C ATOM 864 O TRP A 60 -5.759 -2.281 -7.074 1.00 0.00 O ATOM 865 CB TRP A 60 -5.961 -1.717 -10.324 1.00 0.00 C ATOM 866 CG TRP A 60 -5.734 -0.556 -11.294 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.503 0.526 -11.481 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.629 -0.403 -12.209 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.976 1.360 -12.445 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.800 0.777 -12.903 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.521 -1.237 -12.444 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.903 1.232 -13.876 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.633 -0.767 -13.420 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.791 0.419 -14.127 1.00 0.00 C ATOM 0 H TRP A 60 -5.274 -0.084 -8.192 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.767 -1.242 -9.357 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.995 -2.135 -10.041 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.511 -2.505 -10.838 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.420 0.720 -10.944 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.376 2.243 -12.763 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.367 -2.166 -11.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.060 2.160 -14.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.764 -1.369 -13.639 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.060 0.712 -14.866 1.00 0.00 H new ATOM 885 N LYS A 61 -7.505 -3.360 -8.023 1.00 0.00 N ATOM 886 CA LYS A 61 -7.523 -4.428 -7.039 1.00 0.00 C ATOM 887 C LYS A 61 -6.700 -5.608 -7.558 1.00 0.00 C ATOM 888 O LYS A 61 -7.197 -6.423 -8.335 1.00 0.00 O ATOM 889 CB LYS A 61 -8.963 -4.797 -6.673 1.00 0.00 C ATOM 890 CG LYS A 61 -8.995 -5.866 -5.579 1.00 0.00 C ATOM 891 CD LYS A 61 -10.011 -6.961 -5.914 1.00 0.00 C ATOM 892 CE LYS A 61 -10.676 -7.497 -4.644 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.079 -7.880 -4.917 1.00 0.00 N ATOM 0 H LYS A 61 -8.217 -3.437 -8.750 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.057 -4.097 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.495 -3.908 -6.333 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.485 -5.162 -7.558 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.004 -6.306 -5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.251 -5.407 -4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.771 -6.564 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.513 -7.776 -6.440 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.123 -8.360 -4.273 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.645 -6.738 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.516 -8.242 -4.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.607 -7.048 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.101 -8.620 -5.648 1.00 0.00 H new ATOM 907 N ALA A 62 -5.455 -5.664 -7.109 1.00 0.00 N ATOM 908 CA ALA A 62 -4.558 -6.731 -7.518 1.00 0.00 C ATOM 909 C ALA A 62 -4.193 -7.581 -6.299 1.00 0.00 C ATOM 910 O ALA A 62 -4.332 -7.133 -5.162 1.00 0.00 O ATOM 911 CB ALA A 62 -3.327 -6.129 -8.199 1.00 0.00 C ATOM 0 H ALA A 62 -5.046 -4.987 -6.465 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.044 -7.385 -8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.653 -6.929 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.638 -5.560 -9.075 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.812 -5.469 -7.501 1.00 0.00 H new ATOM 917 N ARG A 63 -3.733 -8.791 -6.578 1.00 0.00 N ATOM 918 CA ARG A 63 -3.347 -9.708 -5.518 1.00 0.00 C ATOM 919 C ARG A 63 -1.825 -9.869 -5.484 1.00 0.00 C ATOM 920 O ARG A 63 -1.213 -10.231 -6.487 1.00 0.00 O ATOM 921 CB ARG A 63 -3.994 -11.081 -5.715 1.00 0.00 C ATOM 922 CG ARG A 63 -3.192 -12.171 -5.002 1.00 0.00 C ATOM 923 CD ARG A 63 -2.402 -13.015 -6.005 1.00 0.00 C ATOM 924 NE ARG A 63 -3.332 -13.724 -6.912 1.00 0.00 N ATOM 925 CZ ARG A 63 -3.034 -14.863 -7.552 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.829 -15.428 -7.389 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.938 -15.437 -8.357 1.00 0.00 N ATOM 0 H ARG A 63 -3.619 -9.158 -7.523 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.693 -9.288 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.014 -11.065 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.057 -11.308 -6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.508 -11.715 -4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.867 -12.811 -4.434 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.733 -12.377 -6.583 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.778 -13.735 -5.475 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.257 -13.321 -7.059 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.139 -14.991 -6.778 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.602 -16.295 -7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.854 -15.007 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.710 -16.304 -8.844 1.00 0.00 H new ATOM 941 N SER A 64 -1.260 -9.591 -4.318 1.00 0.00 N ATOM 942 CA SER A 64 0.178 -9.700 -4.139 1.00 0.00 C ATOM 943 C SER A 64 0.646 -11.109 -4.512 1.00 0.00 C ATOM 944 O SER A 64 0.103 -12.098 -4.020 1.00 0.00 O ATOM 945 CB SER A 64 0.581 -9.370 -2.701 1.00 0.00 C ATOM 946 OG SER A 64 1.840 -8.707 -2.639 1.00 0.00 O ATOM 0 H SER A 64 -1.772 -9.291 -3.488 1.00 0.00 H new ATOM 0 HA SER A 64 0.660 -8.977 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.183 -8.740 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.626 -10.289 -2.117 1.00 0.00 H new ATOM 0 HG SER A 64 2.061 -8.512 -1.704 1.00 0.00 H new ATOM 952 N LEU A 65 1.649 -11.155 -5.377 1.00 0.00 N ATOM 953 CA LEU A 65 2.195 -12.426 -5.821 1.00 0.00 C ATOM 954 C LEU A 65 3.256 -12.896 -4.823 1.00 0.00 C ATOM 955 O LEU A 65 4.047 -13.788 -5.126 1.00 0.00 O ATOM 956 CB LEU A 65 2.709 -12.316 -7.258 1.00 0.00 C ATOM 957 CG LEU A 65 1.656 -12.455 -8.360 1.00 0.00 C ATOM 958 CD1 LEU A 65 2.282 -12.267 -9.743 1.00 0.00 C ATOM 959 CD2 LEU A 65 0.914 -13.787 -8.242 1.00 0.00 C ATOM 0 H LEU A 65 2.097 -10.333 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 65 1.416 -13.188 -5.843 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.202 -11.351 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.469 -13.082 -7.411 1.00 0.00 H new ATOM 0 HG LEU A 65 0.918 -11.663 -8.231 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.512 -12.371 -10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.728 -11.274 -9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.053 -13.022 -9.899 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.171 -13.861 -9.036 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.625 -14.609 -8.332 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.416 -13.842 -7.274 1.00 0.00 H new ATOM 971 N ALA A 66 3.238 -12.275 -3.652 1.00 0.00 N ATOM 972 CA ALA A 66 4.187 -12.620 -2.609 1.00 0.00 C ATOM 973 C ALA A 66 3.430 -13.162 -1.394 1.00 0.00 C ATOM 974 O ALA A 66 3.932 -14.030 -0.683 1.00 0.00 O ATOM 975 CB ALA A 66 5.036 -11.394 -2.266 1.00 0.00 C ATOM 0 H ALA A 66 2.581 -11.535 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 66 4.865 -13.402 -2.951 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.749 -11.653 -1.483 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.576 -11.065 -3.154 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.389 -10.590 -1.916 1.00 0.00 H new ATOM 981 N THR A 67 2.235 -12.627 -1.196 1.00 0.00 N ATOM 982 CA THR A 67 1.403 -13.047 -0.081 1.00 0.00 C ATOM 983 C THR A 67 -0.001 -13.410 -0.569 1.00 0.00 C ATOM 984 O THR A 67 -0.914 -13.592 0.234 1.00 0.00 O ATOM 985 CB THR A 67 1.413 -11.929 0.964 1.00 0.00 C ATOM 986 OG1 THR A 67 1.075 -10.760 0.223 1.00 0.00 O ATOM 987 CG2 THR A 67 2.817 -11.639 1.497 1.00 0.00 C ATOM 0 H THR A 67 1.823 -11.906 -1.788 1.00 0.00 H new ATOM 0 HA THR A 67 1.794 -13.951 0.385 1.00 0.00 H new ATOM 0 HB THR A 67 0.759 -12.200 1.793 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.618 -10.006 0.535 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.768 -10.838 2.235 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.222 -12.537 1.963 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.463 -11.334 0.674 1.00 0.00 H new ATOM 995 N ARG A 68 -0.130 -13.505 -1.885 1.00 0.00 N ATOM 996 CA ARG A 68 -1.407 -13.842 -2.489 1.00 0.00 C ATOM 997 C ARG A 68 -2.529 -13.020 -1.854 1.00 0.00 C ATOM 998 O ARG A 68 -3.678 -13.456 -1.816 1.00 0.00 O ATOM 999 CB ARG A 68 -1.718 -15.331 -2.325 1.00 0.00 C ATOM 1000 CG ARG A 68 -1.962 -15.681 -0.855 1.00 0.00 C ATOM 1001 CD ARG A 68 -2.684 -17.023 -0.723 1.00 0.00 C ATOM 1002 NE ARG A 68 -1.715 -18.087 -0.379 1.00 0.00 N ATOM 1003 CZ ARG A 68 -2.058 -19.287 0.107 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -3.350 -19.583 0.310 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -1.112 -20.192 0.390 1.00 0.00 N ATOM 0 H ARG A 68 0.629 -13.354 -2.549 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.342 -13.611 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.597 -15.590 -2.915 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.889 -15.924 -2.711 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.011 -15.722 -0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.555 -14.897 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.453 -16.957 0.047 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.188 -17.267 -1.658 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.723 -17.894 -0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.071 -18.894 0.094 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -3.612 -20.497 0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.129 -19.968 0.235 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.375 -21.106 0.760 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.157 -11.843 -1.370 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.118 -10.956 -0.738 1.00 0.00 C ATOM 1021 C LYS A 69 -4.061 -10.390 -1.802 1.00 0.00 C ATOM 1022 O LYS A 69 -3.921 -10.696 -2.985 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.398 -9.882 0.080 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.095 -10.381 1.494 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.027 -9.513 2.164 1.00 0.00 C ATOM 1026 CE LYS A 69 -0.645 -10.075 3.535 1.00 0.00 C ATOM 1027 NZ LYS A 69 -1.495 -9.484 4.592 1.00 0.00 N ATOM 0 H LYS A 69 -1.203 -11.484 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.734 -11.506 -0.027 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.469 -9.602 -0.418 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.015 -8.985 0.132 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.007 -10.368 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.755 -11.416 1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.143 -9.463 1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.398 -8.494 2.275 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.757 -11.159 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.404 -9.863 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.223 -9.876 5.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.368 -8.452 4.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.492 -9.708 4.401 1.00 0.00 H new ATOM 1041 N GLU A 70 -4.999 -9.577 -1.343 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.965 -8.966 -2.241 1.00 0.00 C ATOM 1043 C GLU A 70 -6.425 -7.615 -1.687 1.00 0.00 C ATOM 1044 O GLU A 70 -6.917 -7.536 -0.562 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.157 -9.895 -2.479 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.855 -10.898 -3.595 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.995 -11.906 -3.747 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.593 -12.250 -2.704 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.244 -12.312 -4.903 1.00 0.00 O ATOM 0 H GLU A 70 -5.112 -9.326 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.481 -8.797 -3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.396 -10.429 -1.559 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.035 -9.306 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.706 -10.367 -4.535 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.926 -11.424 -3.375 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.247 -6.585 -2.502 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.638 -5.243 -2.108 1.00 0.00 C ATOM 1058 C GLY A 71 -6.333 -4.236 -3.218 1.00 0.00 C ATOM 1059 O GLY A 71 -5.640 -4.558 -4.182 1.00 0.00 O ATOM 0 H GLY A 71 -5.837 -6.654 -3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.703 -5.224 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.109 -4.958 -1.198 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.866 -3.034 -3.045 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.661 -1.977 -4.021 1.00 0.00 C ATOM 1065 C TYR A 72 -5.245 -1.408 -3.922 1.00 0.00 C ATOM 1066 O TYR A 72 -4.729 -1.205 -2.825 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.666 -0.878 -3.670 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.121 -1.250 -3.958 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.452 -1.874 -5.144 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.104 -0.961 -3.034 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.822 -2.224 -5.417 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.474 -1.311 -3.306 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.766 -1.925 -4.484 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.060 -2.255 -4.740 1.00 0.00 O ATOM 0 H TYR A 72 -7.439 -2.769 -2.244 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.795 -2.358 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.567 -0.634 -2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.414 0.023 -4.230 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.683 -2.100 -5.868 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.846 -0.472 -2.106 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.094 -2.713 -6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.252 -1.091 -2.590 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.623 -1.982 -3.985 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.655 -1.167 -5.085 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.309 -0.625 -5.143 1.00 0.00 C ATOM 1086 C ILE A 73 -3.269 0.525 -6.152 1.00 0.00 C ATOM 1087 O ILE A 73 -4.041 0.541 -7.110 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.296 -1.734 -5.435 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.677 -2.503 -6.703 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.137 -2.662 -4.230 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.544 -2.458 -7.731 1.00 0.00 C ATOM 0 H ILE A 73 -5.086 -1.338 -5.994 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.024 -0.211 -4.176 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.326 -1.272 -5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.903 -3.539 -6.451 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.582 -2.075 -7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.412 -3.441 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.788 -2.087 -3.372 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.098 -3.120 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.839 -3.011 -8.622 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.337 -1.422 -7.999 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.648 -2.909 -7.305 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.340 1.484 -5.896 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.189 2.633 -6.770 1.00 0.00 C ATOM 1105 C PRO A 74 -1.482 2.246 -8.070 1.00 0.00 C ATOM 1106 O PRO A 74 -0.540 1.455 -8.056 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.412 3.651 -5.952 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.755 2.868 -4.827 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.409 1.497 -4.770 1.00 0.00 C ATOM 0 HA PRO A 74 -3.146 3.045 -7.090 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.665 4.156 -6.564 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.074 4.422 -5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.316 2.773 -5.003 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.877 3.389 -3.877 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.669 0.701 -4.858 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.929 1.345 -3.824 1.00 0.00 H new ATOM 1117 N SER A 75 -1.963 2.821 -9.162 1.00 0.00 N ATOM 1118 CA SER A 75 -1.389 2.545 -10.469 1.00 0.00 C ATOM 1119 C SER A 75 -0.142 3.406 -10.684 1.00 0.00 C ATOM 1120 O SER A 75 0.793 2.990 -11.366 1.00 0.00 O ATOM 1121 CB SER A 75 -2.407 2.797 -11.582 1.00 0.00 C ATOM 1122 OG SER A 75 -1.806 3.391 -12.731 1.00 0.00 O ATOM 0 H SER A 75 -2.744 3.477 -9.169 1.00 0.00 H new ATOM 0 HA SER A 75 -1.107 1.493 -10.504 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.876 1.855 -11.865 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.198 3.448 -11.209 1.00 0.00 H new ATOM 0 HG SER A 75 -2.136 2.946 -13.540 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.169 4.590 -10.090 1.00 0.00 N ATOM 1129 CA ASN A 76 0.947 5.513 -10.208 1.00 0.00 C ATOM 1130 C ASN A 76 2.157 4.939 -9.469 1.00 0.00 C ATOM 1131 O ASN A 76 3.260 5.475 -9.567 1.00 0.00 O ATOM 1132 CB ASN A 76 0.609 6.867 -9.584 1.00 0.00 C ATOM 1133 CG ASN A 76 0.643 6.791 -8.056 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.607 5.726 -7.461 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.714 7.976 -7.456 1.00 0.00 N ATOM 0 H ASN A 76 -0.947 4.932 -9.525 1.00 0.00 H new ATOM 0 HA ASN A 76 1.163 5.649 -11.268 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.319 7.618 -9.930 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.379 7.187 -9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.742 8.031 -6.438 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.741 8.829 -8.014 1.00 0.00 H new ATOM 1142 N TYR A 77 1.911 3.857 -8.746 1.00 0.00 N ATOM 1143 CA TYR A 77 2.967 3.206 -7.989 1.00 0.00 C ATOM 1144 C TYR A 77 3.287 1.828 -8.572 1.00 0.00 C ATOM 1145 O TYR A 77 4.045 1.060 -7.979 1.00 0.00 O ATOM 1146 CB TYR A 77 2.425 3.033 -6.570 1.00 0.00 C ATOM 1147 CG TYR A 77 3.063 3.970 -5.542 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.087 5.330 -5.770 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.613 3.453 -4.386 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.687 6.212 -4.803 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.214 4.334 -3.418 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.222 5.671 -3.674 1.00 0.00 C ATOM 1153 OH TYR A 77 4.789 6.503 -2.760 1.00 0.00 O ATOM 0 H TYR A 77 0.995 3.414 -8.668 1.00 0.00 H new ATOM 0 HA TYR A 77 3.881 3.799 -8.017 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.348 3.201 -6.580 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.584 2.002 -6.254 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.656 5.733 -6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.593 2.388 -4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.712 7.279 -4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.648 3.943 -2.510 1.00 0.00 H new ATOM 0 HH TYR A 77 4.584 7.433 -2.993 1.00 0.00 H new ATOM 1163 N VAL A 78 2.693 1.555 -9.725 1.00 0.00 N ATOM 1164 CA VAL A 78 2.906 0.282 -10.393 1.00 0.00 C ATOM 1165 C VAL A 78 3.211 0.532 -11.871 1.00 0.00 C ATOM 1166 O VAL A 78 3.018 1.640 -12.370 1.00 0.00 O ATOM 1167 CB VAL A 78 1.697 -0.630 -10.179 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.259 -0.623 -8.713 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.541 -0.233 -11.098 1.00 0.00 C ATOM 0 H VAL A 78 2.065 2.193 -10.213 1.00 0.00 H new ATOM 0 HA VAL A 78 3.766 -0.234 -9.966 1.00 0.00 H new ATOM 0 HB VAL A 78 1.994 -1.647 -10.436 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.398 -1.279 -8.587 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.078 -0.976 -8.087 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.988 0.391 -8.419 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.306 -0.897 -10.925 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.245 0.795 -10.887 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.859 -0.313 -12.138 1.00 0.00 H new ATOM 1179 N ALA A 79 3.683 -0.515 -12.531 1.00 0.00 N ATOM 1180 CA ALA A 79 4.017 -0.424 -13.942 1.00 0.00 C ATOM 1181 C ALA A 79 3.909 -1.810 -14.579 1.00 0.00 C ATOM 1182 O ALA A 79 4.716 -2.693 -14.292 1.00 0.00 O ATOM 1183 CB ALA A 79 5.413 0.183 -14.099 1.00 0.00 C ATOM 0 H ALA A 79 3.842 -1.432 -12.114 1.00 0.00 H new ATOM 0 HA ALA A 79 3.317 0.231 -14.460 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.663 0.251 -15.158 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.428 1.180 -13.658 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.143 -0.449 -13.593 1.00 0.00 H new ATOM 1189 N ARG A 80 2.905 -1.958 -15.431 1.00 0.00 N ATOM 1190 CA ARG A 80 2.681 -3.223 -16.110 1.00 0.00 C ATOM 1191 C ARG A 80 4.016 -3.852 -16.514 1.00 0.00 C ATOM 1192 O ARG A 80 4.916 -3.160 -16.988 1.00 0.00 O ATOM 1193 CB ARG A 80 1.818 -3.032 -17.360 1.00 0.00 C ATOM 1194 CG ARG A 80 0.356 -3.386 -17.075 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.282 -4.084 -18.278 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.424 -3.286 -18.778 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.151 -3.609 -19.856 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.858 -4.714 -20.555 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.169 -2.826 -20.237 1.00 0.00 N ATOM 0 H ARG A 80 2.238 -1.223 -15.666 1.00 0.00 H new ATOM 0 HA ARG A 80 2.158 -3.883 -15.417 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.886 -1.998 -17.699 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.197 -3.658 -18.168 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.299 -4.035 -16.201 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.202 -2.480 -16.837 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.457 -4.212 -19.069 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.620 -5.080 -17.994 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.673 -2.437 -18.270 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.082 -5.309 -20.266 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.411 -4.960 -21.376 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.391 -1.984 -19.706 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.722 -3.072 -21.058 1.00 0.00 H new ATOM 1213 N VAL A 81 4.104 -5.158 -16.311 1.00 0.00 N ATOM 1214 CA VAL A 81 5.313 -5.889 -16.647 1.00 0.00 C ATOM 1215 C VAL A 81 5.588 -5.750 -18.146 1.00 0.00 C ATOM 1216 O VAL A 81 6.743 -5.719 -18.568 1.00 0.00 O ATOM 1217 CB VAL A 81 5.187 -7.345 -16.195 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.784 -8.250 -17.362 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.486 -7.833 -15.548 1.00 0.00 C ATOM 0 H VAL A 81 3.356 -5.729 -15.917 1.00 0.00 H new ATOM 0 HA VAL A 81 6.171 -5.472 -16.119 1.00 0.00 H new ATOM 0 HB VAL A 81 4.398 -7.394 -15.444 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.702 -9.279 -17.013 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.823 -7.924 -17.760 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.540 -8.192 -18.145 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.369 -8.871 -15.236 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.301 -7.760 -16.268 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.714 -7.216 -14.679 1.00 0.00 H new ATOM 1229 N ASP A 82 4.507 -5.671 -18.908 1.00 0.00 N ATOM 1230 CA ASP A 82 4.617 -5.535 -20.351 1.00 0.00 C ATOM 1231 C ASP A 82 4.743 -4.053 -20.712 1.00 0.00 C ATOM 1232 O ASP A 82 4.616 -3.681 -21.877 1.00 0.00 O ATOM 1233 CB ASP A 82 3.375 -6.088 -21.053 1.00 0.00 C ATOM 1234 CG ASP A 82 3.643 -6.791 -22.384 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.114 -6.094 -23.309 1.00 0.00 O ATOM 1236 OD2 ASP A 82 3.372 -8.009 -22.448 1.00 0.00 O ATOM 0 H ASP A 82 3.551 -5.699 -18.554 1.00 0.00 H new ATOM 0 HA ASP A 82 5.494 -6.094 -20.676 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.879 -6.790 -20.382 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.679 -5.267 -21.227 1.00 0.00 H new ATOM 1241 N SER A 83 4.993 -3.247 -19.690 1.00 0.00 N ATOM 1242 CA SER A 83 5.138 -1.815 -19.885 1.00 0.00 C ATOM 1243 C SER A 83 6.528 -1.364 -19.433 1.00 0.00 C ATOM 1244 O SER A 83 6.713 -0.214 -19.038 1.00 0.00 O ATOM 1245 CB SER A 83 4.056 -1.043 -19.126 1.00 0.00 C ATOM 1246 OG SER A 83 4.074 0.347 -19.438 1.00 0.00 O ATOM 0 H SER A 83 5.099 -3.559 -18.725 1.00 0.00 H new ATOM 0 HA SER A 83 5.021 -1.601 -20.947 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.077 -1.457 -19.369 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.200 -1.176 -18.054 1.00 0.00 H new ATOM 0 HG SER A 83 4.999 0.672 -19.431 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.573 11.023 -5.188 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.842 11.441 -6.371 1.00 0.00 C ATOM 1380 C PRO B 124 -4.448 10.812 -6.406 1.00 0.00 C ATOM 1381 O PRO B 124 -3.448 11.515 -6.545 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.807 12.959 -6.294 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.109 13.310 -4.847 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.657 12.065 -4.169 1.00 0.00 C ATOM 0 HA PRO B 124 -6.315 11.112 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.832 13.343 -6.594 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.543 13.401 -6.965 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.207 13.654 -4.341 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.833 14.123 -4.795 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.073 11.804 -3.287 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.685 12.214 -3.838 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.426 9.494 -6.276 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.171 8.761 -6.291 1.00 0.00 C ATOM 1394 C LEU B 125 -2.277 9.266 -5.155 1.00 0.00 C ATOM 1395 O LEU B 125 -2.375 10.423 -4.752 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.517 8.846 -7.672 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.026 7.850 -8.716 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.517 8.214 -10.113 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.661 6.416 -8.329 1.00 0.00 C ATOM 0 H LEU B 125 -5.257 8.914 -6.160 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.347 7.700 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.662 9.854 -8.060 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.443 8.701 -7.553 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.114 7.909 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -2.893 7.491 -10.837 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -2.868 9.211 -10.380 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.427 8.200 -10.118 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.034 5.728 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.577 6.323 -8.257 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.111 6.173 -7.366 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.404 8.348 -4.660 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.494 8.688 -3.579 1.00 0.00 C ATOM 1413 C PRO B 126 0.656 9.561 -4.086 1.00 0.00 C ATOM 1414 O PRO B 126 0.873 9.670 -5.291 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.028 7.353 -3.024 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.325 6.325 -4.103 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.261 6.968 -5.113 1.00 0.00 C ATOM 0 HA PRO B 126 -0.969 9.284 -2.799 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.036 7.377 -2.791 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.552 7.111 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.597 6.003 -4.588 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.784 5.437 -3.668 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.848 6.923 -6.121 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.224 6.458 -5.141 1.00 0.00 H new ATOM 1425 N PRO B 127 1.382 10.174 -3.114 1.00 0.00 N ATOM 1426 CA PRO B 127 2.505 11.034 -3.449 1.00 0.00 C ATOM 1427 C PRO B 127 3.718 10.209 -3.880 1.00 0.00 C ATOM 1428 O PRO B 127 4.256 9.431 -3.094 1.00 0.00 O ATOM 1429 CB PRO B 127 2.761 11.854 -2.194 1.00 0.00 C ATOM 1430 CG PRO B 127 2.081 11.103 -1.060 1.00 0.00 C ATOM 1431 CD PRO B 127 1.154 10.068 -1.675 1.00 0.00 C ATOM 0 HA PRO B 127 2.297 11.684 -4.299 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.830 11.959 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.355 12.860 -2.295 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.823 10.621 -0.423 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.519 11.792 -0.429 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.382 9.066 -1.311 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.113 10.270 -1.423 1.00 0.00 H new ATOM 1439 N LEU B 128 4.113 10.405 -5.130 1.00 0.00 N ATOM 1440 CA LEU B 128 5.252 9.688 -5.676 1.00 0.00 C ATOM 1441 C LEU B 128 6.482 9.954 -4.806 1.00 0.00 C ATOM 1442 O LEU B 128 6.760 11.099 -4.452 1.00 0.00 O ATOM 1443 CB LEU B 128 5.453 10.043 -7.151 1.00 0.00 C ATOM 1444 CG LEU B 128 4.697 9.175 -8.159 1.00 0.00 C ATOM 1445 CD1 LEU B 128 5.424 7.851 -8.397 1.00 0.00 C ATOM 1446 CD2 LEU B 128 3.247 8.962 -7.720 1.00 0.00 C ATOM 0 H LEU B 128 3.664 11.050 -5.780 1.00 0.00 H new ATOM 0 HA LEU B 128 5.071 8.613 -5.653 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.154 11.081 -7.298 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.518 9.983 -7.377 1.00 0.00 H new ATOM 0 HG LEU B 128 4.671 9.703 -9.112 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.865 7.253 -9.117 1.00 0.00 H new ATOM 0 HD12 LEU B 128 6.422 8.049 -8.787 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.503 7.305 -7.457 1.00 0.00 H new ATOM 0 HD21 LEU B 128 2.732 8.342 -8.454 1.00 0.00 H new ATOM 0 HD22 LEU B 128 3.230 8.466 -6.750 1.00 0.00 H new ATOM 0 HD23 LEU B 128 2.745 9.926 -7.643 1.00 0.00 H new ATOM 1458 N PRO B 129 7.205 8.850 -4.478 1.00 0.00 N ATOM 1459 CA PRO B 129 8.399 8.954 -3.656 1.00 0.00 C ATOM 1460 C PRO B 129 9.569 9.524 -4.460 1.00 0.00 C ATOM 1461 O PRO B 129 10.411 10.237 -3.916 1.00 0.00 O ATOM 1462 CB PRO B 129 8.654 7.542 -3.153 1.00 0.00 C ATOM 1463 CG PRO B 129 7.875 6.623 -4.079 1.00 0.00 C ATOM 1464 CD PRO B 129 6.906 7.479 -4.879 1.00 0.00 C ATOM 0 HA PRO B 129 8.277 9.644 -2.821 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.718 7.306 -3.173 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.322 7.429 -2.121 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.553 6.089 -4.745 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.335 5.871 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.047 7.340 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.871 7.218 -4.657 1.00 0.00 H new