USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 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 USER MOD Single : A 34 TYR OH : rot 103:sc= 0.708 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.43 K(o=-2.4,f=-1.8) USER MOD Single : A 50 MET CE :methyl 179:sc= -0.248 (180deg=-0.256) USER MOD Single : A 61 LYS NZ :NH3+ -133:sc= -1.77! (180deg=-2.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -150:sc= -0.0541 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 143:sc= 1.72 USER MOD Single : A 76 ASN : amide:sc= -9.97! C(o=-10!,f=-17!) USER MOD Single : A 77 TYR OH : rot 23:sc= -2.43! USER MOD Single : A 83 SER OG : rot -49:sc= 0.432 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.449 -8.651 -15.372 1.00 0.00 N ATOM 324 CA ILE A 26 -2.652 -7.447 -15.544 1.00 0.00 C ATOM 325 C ILE A 26 -1.576 -7.393 -14.456 1.00 0.00 C ATOM 326 O ILE A 26 -1.836 -6.935 -13.345 1.00 0.00 O ATOM 327 CB ILE A 26 -3.551 -6.210 -15.583 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.297 -6.116 -16.915 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.750 -4.942 -15.283 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.411 -5.497 -17.997 1.00 0.00 C ATOM 0 HA ILE A 26 -2.135 -7.466 -16.503 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.303 -6.309 -14.800 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.618 -7.110 -17.227 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.198 -5.515 -16.790 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.412 -4.077 -15.317 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.304 -5.019 -14.291 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.962 -4.825 -16.027 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.966 -5.442 -18.934 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.112 -4.494 -17.693 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.523 -6.113 -18.137 1.00 0.00 H new ATOM 342 N ILE A 27 -0.393 -7.866 -14.816 1.00 0.00 N ATOM 343 CA ILE A 27 0.722 -7.877 -13.885 1.00 0.00 C ATOM 344 C ILE A 27 1.410 -6.511 -13.904 1.00 0.00 C ATOM 345 O ILE A 27 1.784 -6.015 -14.966 1.00 0.00 O ATOM 346 CB ILE A 27 1.664 -9.044 -14.190 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.878 -10.334 -14.433 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.711 -9.208 -13.087 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.264 -10.854 -13.131 1.00 0.00 C ATOM 0 H ILE A 27 -0.182 -8.244 -15.739 1.00 0.00 H new ATOM 0 HA ILE A 27 0.367 -8.042 -12.868 1.00 0.00 H new ATOM 0 HB ILE A 27 2.202 -8.817 -15.111 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.090 -10.152 -15.164 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.537 -11.092 -14.857 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.367 -10.044 -13.329 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.301 -8.295 -13.007 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.212 -9.402 -12.138 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.289 -11.772 -13.331 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.057 -11.058 -12.411 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.413 -10.104 -12.723 1.00 0.00 H new ATOM 361 N VAL A 28 1.557 -5.941 -12.717 1.00 0.00 N ATOM 362 CA VAL A 28 2.193 -4.642 -12.583 1.00 0.00 C ATOM 363 C VAL A 28 3.200 -4.687 -11.432 1.00 0.00 C ATOM 364 O VAL A 28 2.887 -5.177 -10.349 1.00 0.00 O ATOM 365 CB VAL A 28 1.131 -3.555 -12.406 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.242 -3.450 -13.648 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.293 -3.806 -11.151 1.00 0.00 C ATOM 0 H VAL A 28 1.246 -6.356 -11.839 1.00 0.00 H new ATOM 0 HA VAL A 28 2.746 -4.393 -13.489 1.00 0.00 H new ATOM 0 HB VAL A 28 1.645 -2.602 -12.280 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.504 -2.670 -13.496 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.855 -3.202 -14.514 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.259 -4.403 -13.819 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.454 -3.019 -11.049 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.206 -4.772 -11.234 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.941 -3.807 -10.275 1.00 0.00 H new ATOM 377 N VAL A 29 4.388 -4.169 -11.707 1.00 0.00 N ATOM 378 CA VAL A 29 5.442 -4.145 -10.708 1.00 0.00 C ATOM 379 C VAL A 29 5.377 -2.826 -9.936 1.00 0.00 C ATOM 380 O VAL A 29 5.195 -1.763 -10.529 1.00 0.00 O ATOM 381 CB VAL A 29 6.800 -4.381 -11.374 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.361 -3.080 -11.951 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.788 -5.017 -10.394 1.00 0.00 C ATOM 0 H VAL A 29 4.644 -3.763 -12.607 1.00 0.00 H new ATOM 0 HA VAL A 29 5.303 -4.951 -9.987 1.00 0.00 H new ATOM 0 HB VAL A 29 6.652 -5.077 -12.200 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.326 -3.276 -12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.670 -2.685 -12.696 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.487 -2.351 -11.150 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.745 -5.174 -10.892 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.929 -4.356 -9.539 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.396 -5.975 -10.052 1.00 0.00 H new ATOM 393 N ALA A 30 5.528 -2.936 -8.625 1.00 0.00 N ATOM 394 CA ALA A 30 5.488 -1.765 -7.765 1.00 0.00 C ATOM 395 C ALA A 30 6.711 -0.890 -8.046 1.00 0.00 C ATOM 396 O ALA A 30 7.845 -1.314 -7.831 1.00 0.00 O ATOM 397 CB ALA A 30 5.412 -2.208 -6.303 1.00 0.00 C ATOM 0 H ALA A 30 5.678 -3.819 -8.136 1.00 0.00 H new ATOM 0 HA ALA A 30 4.600 -1.167 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.382 -1.330 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.511 -2.802 -6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.289 -2.808 -6.059 1.00 0.00 H new ATOM 403 N LEU A 31 6.438 0.317 -8.522 1.00 0.00 N ATOM 404 CA LEU A 31 7.502 1.255 -8.835 1.00 0.00 C ATOM 405 C LEU A 31 8.099 1.796 -7.534 1.00 0.00 C ATOM 406 O LEU A 31 9.241 2.251 -7.511 1.00 0.00 O ATOM 407 CB LEU A 31 6.993 2.347 -9.777 1.00 0.00 C ATOM 408 CG LEU A 31 6.649 1.899 -11.200 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.213 3.087 -12.059 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.813 1.132 -11.830 1.00 0.00 C ATOM 0 H LEU A 31 5.496 0.666 -8.698 1.00 0.00 H new ATOM 0 HA LEU A 31 8.307 0.752 -9.371 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.104 2.796 -9.334 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.750 3.129 -9.837 1.00 0.00 H new ATOM 0 HG LEU A 31 5.803 1.213 -11.147 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.975 2.741 -13.065 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.332 3.552 -11.617 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.022 3.816 -12.109 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.542 0.825 -12.840 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.693 1.774 -11.869 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.034 0.249 -11.230 1.00 0.00 H new ATOM 422 N TYR A 32 7.298 1.728 -6.480 1.00 0.00 N ATOM 423 CA TYR A 32 7.732 2.205 -5.178 1.00 0.00 C ATOM 424 C TYR A 32 7.012 1.459 -4.053 1.00 0.00 C ATOM 425 O TYR A 32 5.864 1.047 -4.212 1.00 0.00 O ATOM 426 CB TYR A 32 7.347 3.685 -5.120 1.00 0.00 C ATOM 427 CG TYR A 32 7.456 4.408 -6.464 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.671 4.919 -6.876 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.341 4.551 -7.264 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.774 5.600 -8.140 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.444 5.233 -8.528 1.00 0.00 C ATOM 432 CZ TYR A 32 7.655 5.724 -8.904 1.00 0.00 C ATOM 433 OH TYR A 32 7.753 6.367 -10.098 1.00 0.00 O ATOM 0 H TYR A 32 6.351 1.350 -6.502 1.00 0.00 H new ATOM 0 HA TYR A 32 8.803 2.046 -5.049 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.323 3.770 -4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.987 4.188 -4.395 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.544 4.808 -6.250 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.391 4.151 -6.942 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.718 6.003 -8.474 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.579 5.352 -9.163 1.00 0.00 H new ATOM 0 HH TYR A 32 6.876 6.379 -10.536 1.00 0.00 H new ATOM 443 N ASP A 33 7.716 1.307 -2.941 1.00 0.00 N ATOM 444 CA ASP A 33 7.159 0.618 -1.790 1.00 0.00 C ATOM 445 C ASP A 33 5.848 1.293 -1.383 1.00 0.00 C ATOM 446 O ASP A 33 5.697 2.505 -1.528 1.00 0.00 O ATOM 447 CB ASP A 33 8.112 0.681 -0.594 1.00 0.00 C ATOM 448 CG ASP A 33 8.316 2.077 -0.003 1.00 0.00 C ATOM 449 OD1 ASP A 33 8.008 3.050 -0.723 1.00 0.00 O ATOM 450 OD2 ASP A 33 8.777 2.138 1.158 1.00 0.00 O ATOM 0 H ASP A 33 8.668 1.650 -2.813 1.00 0.00 H new ATOM 0 HA ASP A 33 6.997 -0.423 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.733 0.023 0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.081 0.287 -0.900 1.00 0.00 H new ATOM 455 N TYR A 34 4.930 0.478 -0.881 1.00 0.00 N ATOM 456 CA TYR A 34 3.637 0.981 -0.452 1.00 0.00 C ATOM 457 C TYR A 34 3.083 0.151 0.708 1.00 0.00 C ATOM 458 O TYR A 34 2.954 -1.066 0.599 1.00 0.00 O ATOM 459 CB TYR A 34 2.706 0.834 -1.658 1.00 0.00 C ATOM 460 CG TYR A 34 1.319 1.446 -1.452 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.142 2.810 -1.564 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.244 0.632 -1.154 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.164 3.384 -1.370 1.00 0.00 C ATOM 464 CE2 TYR A 34 -1.062 1.208 -0.960 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.201 2.555 -1.078 1.00 0.00 C ATOM 466 OH TYR A 34 -2.435 3.098 -0.894 1.00 0.00 O ATOM 0 H TYR A 34 5.057 -0.527 -0.762 1.00 0.00 H new ATOM 0 HA TYR A 34 3.721 2.013 -0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.174 1.302 -2.524 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.594 -0.225 -1.890 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.983 3.447 -1.797 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.382 -0.436 -1.066 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.316 4.450 -1.455 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.912 0.584 -0.726 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.980 2.950 -1.695 1.00 0.00 H new ATOM 476 N GLU A 35 2.770 0.845 1.793 1.00 0.00 N ATOM 477 CA GLU A 35 2.234 0.188 2.973 1.00 0.00 C ATOM 478 C GLU A 35 0.783 0.616 3.205 1.00 0.00 C ATOM 479 O GLU A 35 0.443 1.108 4.279 1.00 0.00 O ATOM 480 CB GLU A 35 3.096 0.479 4.202 1.00 0.00 C ATOM 481 CG GLU A 35 3.612 -0.817 4.831 1.00 0.00 C ATOM 482 CD GLU A 35 3.674 -0.701 6.355 1.00 0.00 C ATOM 483 OE1 GLU A 35 2.619 -0.383 6.944 1.00 0.00 O ATOM 484 OE2 GLU A 35 4.776 -0.933 6.896 1.00 0.00 O ATOM 0 H GLU A 35 2.877 1.856 1.879 1.00 0.00 H new ATOM 0 HA GLU A 35 2.252 -0.889 2.806 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.938 1.110 3.918 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.513 1.036 4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.960 -1.645 4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.603 -1.046 4.440 1.00 0.00 H new ATOM 491 N ALA A 36 -0.031 0.413 2.180 1.00 0.00 N ATOM 492 CA ALA A 36 -1.437 0.772 2.260 1.00 0.00 C ATOM 493 C ALA A 36 -1.578 2.101 3.005 1.00 0.00 C ATOM 494 O ALA A 36 -1.778 2.117 4.219 1.00 0.00 O ATOM 495 CB ALA A 36 -2.216 -0.360 2.932 1.00 0.00 C ATOM 0 H ALA A 36 0.256 0.005 1.290 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.856 0.908 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.270 -0.090 2.992 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.108 -1.273 2.347 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.826 -0.524 3.936 1.00 0.00 H new ATOM 569 N ASP A 41 -6.826 -0.595 0.683 1.00 0.00 N ATOM 570 CA ASP A 41 -5.704 -0.657 -0.237 1.00 0.00 C ATOM 571 C ASP A 41 -4.754 -1.776 0.198 1.00 0.00 C ATOM 572 O ASP A 41 -4.690 -2.117 1.378 1.00 0.00 O ATOM 573 CB ASP A 41 -4.919 0.656 -0.238 1.00 0.00 C ATOM 574 CG ASP A 41 -4.842 1.362 -1.592 1.00 0.00 C ATOM 575 OD1 ASP A 41 -5.903 1.851 -2.039 1.00 0.00 O ATOM 576 OD2 ASP A 41 -3.724 1.399 -2.151 1.00 0.00 O ATOM 0 HA ASP A 41 -6.098 -0.842 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.374 1.335 0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.905 0.456 0.109 1.00 0.00 H new ATOM 581 N LEU A 42 -4.039 -2.314 -0.778 1.00 0.00 N ATOM 582 CA LEU A 42 -3.095 -3.387 -0.511 1.00 0.00 C ATOM 583 C LEU A 42 -1.693 -2.797 -0.348 1.00 0.00 C ATOM 584 O LEU A 42 -1.379 -1.762 -0.932 1.00 0.00 O ATOM 585 CB LEU A 42 -3.188 -4.464 -1.595 1.00 0.00 C ATOM 586 CG LEU A 42 -2.522 -5.802 -1.268 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.382 -6.621 -0.303 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.197 -6.578 -2.545 1.00 0.00 C ATOM 0 H LEU A 42 -4.094 -2.028 -1.755 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.341 -3.888 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.241 -4.647 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.741 -4.072 -2.509 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.577 -5.600 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.886 -7.567 -0.087 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.520 -6.064 0.624 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.353 -6.816 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.724 -7.525 -2.285 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.117 -6.771 -3.097 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.518 -5.992 -3.164 1.00 0.00 H new ATOM 600 N SER A 43 -0.887 -3.484 0.449 1.00 0.00 N ATOM 601 CA SER A 43 0.475 -3.041 0.697 1.00 0.00 C ATOM 602 C SER A 43 1.460 -3.922 -0.075 1.00 0.00 C ATOM 603 O SER A 43 1.284 -5.138 -0.149 1.00 0.00 O ATOM 604 CB SER A 43 0.799 -3.066 2.192 1.00 0.00 C ATOM 605 OG SER A 43 0.567 -4.349 2.767 1.00 0.00 O ATOM 0 H SER A 43 -1.151 -4.343 0.931 1.00 0.00 H new ATOM 0 HA SER A 43 0.569 -2.012 0.350 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.841 -2.785 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.191 -2.322 2.707 1.00 0.00 H new ATOM 0 HG SER A 43 0.787 -4.324 3.722 1.00 0.00 H new ATOM 611 N PHE A 44 2.474 -3.275 -0.629 1.00 0.00 N ATOM 612 CA PHE A 44 3.487 -3.985 -1.392 1.00 0.00 C ATOM 613 C PHE A 44 4.855 -3.314 -1.244 1.00 0.00 C ATOM 614 O PHE A 44 5.020 -2.408 -0.429 1.00 0.00 O ATOM 615 CB PHE A 44 3.061 -3.929 -2.860 1.00 0.00 C ATOM 616 CG PHE A 44 2.575 -2.552 -3.316 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.466 -1.634 -3.777 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.251 -2.246 -3.261 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.015 -0.356 -4.199 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.799 -0.968 -3.683 1.00 0.00 C ATOM 621 CZ PHE A 44 1.691 -0.049 -4.144 1.00 0.00 C ATOM 0 H PHE A 44 2.616 -2.267 -0.565 1.00 0.00 H new ATOM 0 HA PHE A 44 3.574 -5.010 -1.032 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.903 -4.230 -3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.266 -4.656 -3.025 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.517 -1.877 -3.822 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.543 -2.976 -2.896 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.723 0.373 -4.564 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.252 -0.725 -3.638 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.348 0.923 -4.466 1.00 0.00 H new ATOM 631 N GLN A 45 5.799 -3.786 -2.045 1.00 0.00 N ATOM 632 CA GLN A 45 7.147 -3.244 -2.012 1.00 0.00 C ATOM 633 C GLN A 45 7.612 -2.895 -3.428 1.00 0.00 C ATOM 634 O GLN A 45 7.093 -3.431 -4.406 1.00 0.00 O ATOM 635 CB GLN A 45 8.115 -4.220 -1.342 1.00 0.00 C ATOM 636 CG GLN A 45 7.933 -4.218 0.176 1.00 0.00 C ATOM 637 CD GLN A 45 8.599 -5.441 0.812 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.480 -6.064 0.242 1.00 0.00 O ATOM 639 NE2 GLN A 45 8.131 -5.747 2.017 1.00 0.00 N ATOM 0 H GLN A 45 5.657 -4.537 -2.720 1.00 0.00 H new ATOM 0 HA GLN A 45 7.136 -2.330 -1.418 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.950 -5.225 -1.730 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.141 -3.947 -1.589 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.361 -3.308 0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.870 -4.212 0.418 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.392 -5.182 2.436 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.511 -6.547 2.524 1.00 0.00 H new ATOM 648 N LYS A 46 8.585 -1.999 -3.492 1.00 0.00 N ATOM 649 CA LYS A 46 9.127 -1.572 -4.771 1.00 0.00 C ATOM 650 C LYS A 46 9.814 -2.757 -5.451 1.00 0.00 C ATOM 651 O LYS A 46 10.942 -3.107 -5.106 1.00 0.00 O ATOM 652 CB LYS A 46 10.035 -0.355 -4.590 1.00 0.00 C ATOM 653 CG LYS A 46 10.560 0.144 -5.937 1.00 0.00 C ATOM 654 CD LYS A 46 12.034 -0.224 -6.123 1.00 0.00 C ATOM 655 CE LYS A 46 12.540 0.214 -7.498 1.00 0.00 C ATOM 656 NZ LYS A 46 13.850 0.892 -7.377 1.00 0.00 N ATOM 0 H LYS A 46 9.013 -1.556 -2.679 1.00 0.00 H new ATOM 0 HA LYS A 46 8.325 -1.246 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.484 0.443 -4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.873 -0.615 -3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.969 -0.289 -6.744 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.441 1.226 -5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.632 0.250 -5.344 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.160 -1.301 -6.011 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.632 -0.654 -8.151 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.817 0.886 -7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.179 1.183 -8.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.752 1.731 -6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.541 0.239 -6.955 1.00 0.00 H new ATOM 670 N GLY A 47 9.106 -3.344 -6.404 1.00 0.00 N ATOM 671 CA GLY A 47 9.635 -4.484 -7.136 1.00 0.00 C ATOM 672 C GLY A 47 8.724 -5.703 -6.983 1.00 0.00 C ATOM 673 O GLY A 47 9.058 -6.795 -7.441 1.00 0.00 O ATOM 0 H GLY A 47 8.170 -3.052 -6.687 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.734 -4.229 -8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.634 -4.724 -6.771 1.00 0.00 H new ATOM 677 N ASP A 48 7.589 -5.478 -6.338 1.00 0.00 N ATOM 678 CA ASP A 48 6.626 -6.544 -6.119 1.00 0.00 C ATOM 679 C ASP A 48 5.649 -6.592 -7.294 1.00 0.00 C ATOM 680 O ASP A 48 5.335 -5.562 -7.888 1.00 0.00 O ATOM 681 CB ASP A 48 5.819 -6.304 -4.842 1.00 0.00 C ATOM 682 CG ASP A 48 5.638 -7.534 -3.950 1.00 0.00 C ATOM 683 OD1 ASP A 48 5.081 -8.529 -4.462 1.00 0.00 O ATOM 684 OD2 ASP A 48 6.061 -7.452 -2.777 1.00 0.00 O ATOM 0 H ASP A 48 7.314 -4.572 -5.959 1.00 0.00 H new ATOM 0 HA ASP A 48 7.176 -7.481 -6.027 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.309 -5.522 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.835 -5.926 -5.118 1.00 0.00 H new ATOM 689 N GLN A 49 5.196 -7.800 -7.597 1.00 0.00 N ATOM 690 CA GLN A 49 4.261 -7.996 -8.692 1.00 0.00 C ATOM 691 C GLN A 49 2.874 -8.347 -8.148 1.00 0.00 C ATOM 692 O GLN A 49 2.751 -9.140 -7.216 1.00 0.00 O ATOM 693 CB GLN A 49 4.761 -9.076 -9.654 1.00 0.00 C ATOM 694 CG GLN A 49 6.125 -8.701 -10.236 1.00 0.00 C ATOM 695 CD GLN A 49 6.076 -8.654 -11.764 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.613 -9.505 -12.455 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.403 -7.616 -12.252 1.00 0.00 N ATOM 0 H GLN A 49 5.459 -8.653 -7.103 1.00 0.00 H new ATOM 0 HA GLN A 49 4.186 -7.064 -9.252 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.834 -10.029 -9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.041 -9.211 -10.462 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.435 -7.730 -9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.873 -9.426 -9.915 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.978 -6.940 -11.617 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.312 -7.496 -13.261 1.00 0.00 H new ATOM 706 N MET A 50 1.865 -7.738 -8.755 1.00 0.00 N ATOM 707 CA MET A 50 0.492 -7.975 -8.343 1.00 0.00 C ATOM 708 C MET A 50 -0.394 -8.291 -9.550 1.00 0.00 C ATOM 709 O MET A 50 -0.153 -7.794 -10.649 1.00 0.00 O ATOM 710 CB MET A 50 -0.047 -6.738 -7.623 1.00 0.00 C ATOM 711 CG MET A 50 0.895 -6.305 -6.497 1.00 0.00 C ATOM 712 SD MET A 50 0.440 -4.682 -5.911 1.00 0.00 S ATOM 713 CE MET A 50 1.897 -3.763 -6.376 1.00 0.00 C ATOM 0 H MET A 50 1.971 -7.081 -9.528 1.00 0.00 H new ATOM 0 HA MET A 50 0.477 -8.832 -7.670 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.167 -5.922 -8.335 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.034 -6.952 -7.214 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.850 -7.022 -5.678 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.924 -6.296 -6.856 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.772 -2.717 -6.097 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.766 -4.174 -5.862 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.044 -3.836 -7.454 1.00 0.00 H new ATOM 723 N VAL A 51 -1.403 -9.114 -9.303 1.00 0.00 N ATOM 724 CA VAL A 51 -2.327 -9.502 -10.356 1.00 0.00 C ATOM 725 C VAL A 51 -3.552 -8.586 -10.316 1.00 0.00 C ATOM 726 O VAL A 51 -4.487 -8.825 -9.554 1.00 0.00 O ATOM 727 CB VAL A 51 -2.684 -10.983 -10.219 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.844 -11.355 -11.146 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.465 -11.868 -10.483 1.00 0.00 C ATOM 0 H VAL A 51 -1.601 -9.523 -8.390 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.863 -9.382 -11.335 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.007 -11.156 -9.192 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.078 -12.413 -11.029 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.720 -10.759 -10.890 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.561 -11.158 -12.180 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.747 -12.916 -10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.098 -11.690 -11.494 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.680 -11.630 -9.765 1.00 0.00 H new ATOM 739 N VAL A 52 -3.506 -7.554 -11.147 1.00 0.00 N ATOM 740 CA VAL A 52 -4.600 -6.600 -11.216 1.00 0.00 C ATOM 741 C VAL A 52 -5.872 -7.322 -11.668 1.00 0.00 C ATOM 742 O VAL A 52 -5.899 -7.926 -12.739 1.00 0.00 O ATOM 743 CB VAL A 52 -4.218 -5.433 -12.128 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.465 -4.718 -12.655 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.290 -4.454 -11.406 1.00 0.00 C ATOM 0 H VAL A 52 -2.729 -7.358 -11.778 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.800 -6.175 -10.233 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.677 -5.839 -12.983 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.165 -3.892 -13.301 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.074 -5.421 -13.223 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.044 -4.331 -11.817 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.034 -3.634 -12.077 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.794 -4.058 -10.524 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.380 -4.972 -11.102 1.00 0.00 H new ATOM 755 N LEU A 53 -6.893 -7.233 -10.829 1.00 0.00 N ATOM 756 CA LEU A 53 -8.165 -7.870 -11.130 1.00 0.00 C ATOM 757 C LEU A 53 -9.155 -6.813 -11.622 1.00 0.00 C ATOM 758 O LEU A 53 -9.764 -6.973 -12.679 1.00 0.00 O ATOM 759 CB LEU A 53 -8.664 -8.664 -9.921 1.00 0.00 C ATOM 760 CG LEU A 53 -7.605 -9.467 -9.162 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.168 -10.012 -7.848 1.00 0.00 C ATOM 762 CD2 LEU A 53 -7.025 -10.578 -10.041 1.00 0.00 C ATOM 0 H LEU A 53 -6.866 -6.730 -9.942 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.048 -8.596 -11.934 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.134 -7.970 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.440 -9.351 -10.258 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.785 -8.796 -8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.395 -10.579 -7.328 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.494 -9.183 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.016 -10.663 -8.058 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.275 -11.133 -9.478 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.823 -11.254 -10.347 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.563 -10.139 -10.925 1.00 0.00 H new ATOM 774 N GLU A 54 -9.286 -5.757 -10.834 1.00 0.00 N ATOM 775 CA GLU A 54 -10.192 -4.674 -11.176 1.00 0.00 C ATOM 776 C GLU A 54 -9.413 -3.372 -11.374 1.00 0.00 C ATOM 777 O GLU A 54 -8.484 -3.080 -10.624 1.00 0.00 O ATOM 778 CB GLU A 54 -11.276 -4.507 -10.109 1.00 0.00 C ATOM 779 CG GLU A 54 -12.540 -5.283 -10.484 1.00 0.00 C ATOM 780 CD GLU A 54 -13.026 -4.895 -11.883 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.495 -3.745 -12.022 1.00 0.00 O ATOM 782 OE2 GLU A 54 -12.917 -5.758 -12.781 1.00 0.00 O ATOM 0 H GLU A 54 -8.779 -5.628 -9.958 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.687 -4.925 -12.114 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.902 -4.858 -9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.515 -3.450 -9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.338 -6.354 -10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -13.324 -5.083 -9.754 1.00 0.00 H new ATOM 822 N GLU A 58 -7.862 4.675 -11.251 1.00 0.00 N ATOM 823 CA GLU A 58 -6.462 4.752 -10.868 1.00 0.00 C ATOM 824 C GLU A 58 -6.080 3.542 -10.013 1.00 0.00 C ATOM 825 O GLU A 58 -5.284 2.706 -10.436 1.00 0.00 O ATOM 826 CB GLU A 58 -6.167 6.059 -10.131 1.00 0.00 C ATOM 827 CG GLU A 58 -6.717 7.260 -10.904 1.00 0.00 C ATOM 828 CD GLU A 58 -6.061 7.373 -12.281 1.00 0.00 C ATOM 829 OE1 GLU A 58 -6.471 6.596 -13.170 1.00 0.00 O ATOM 830 OE2 GLU A 58 -5.164 8.233 -12.415 1.00 0.00 O ATOM 0 HA GLU A 58 -5.855 4.739 -11.774 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.611 6.028 -9.136 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.091 6.170 -9.997 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.796 7.160 -11.019 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.540 8.174 -10.337 1.00 0.00 H new ATOM 837 N TRP A 59 -6.663 3.489 -8.824 1.00 0.00 N ATOM 838 CA TRP A 59 -6.393 2.396 -7.906 1.00 0.00 C ATOM 839 C TRP A 59 -7.030 1.129 -8.479 1.00 0.00 C ATOM 840 O TRP A 59 -8.202 1.134 -8.853 1.00 0.00 O ATOM 841 CB TRP A 59 -6.886 2.730 -6.497 1.00 0.00 C ATOM 842 CG TRP A 59 -6.409 4.086 -5.974 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.931 5.295 -6.220 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.283 4.323 -5.102 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.228 6.290 -5.572 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.195 5.681 -4.870 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.372 3.421 -4.527 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.208 6.258 -4.062 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.391 4.013 -3.722 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.288 5.378 -3.479 1.00 0.00 C ATOM 0 H TRP A 59 -7.321 4.186 -8.476 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.320 2.231 -7.807 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.976 2.713 -6.491 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.552 1.950 -5.812 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.793 5.469 -6.847 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.430 7.289 -5.603 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.424 2.355 -4.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.159 7.324 -3.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.664 3.364 -3.257 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.502 5.758 -2.843 1.00 0.00 H new ATOM 861 N TRP A 60 -6.230 0.074 -8.529 1.00 0.00 N ATOM 862 CA TRP A 60 -6.702 -1.198 -9.050 1.00 0.00 C ATOM 863 C TRP A 60 -6.623 -2.229 -7.922 1.00 0.00 C ATOM 864 O TRP A 60 -5.803 -2.100 -7.014 1.00 0.00 O ATOM 865 CB TRP A 60 -5.910 -1.609 -10.292 1.00 0.00 C ATOM 866 CG TRP A 60 -5.709 -0.480 -11.304 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.494 0.585 -11.520 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.615 -0.345 -12.237 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.989 1.393 -12.518 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.810 0.809 -12.968 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.499 -1.171 -12.454 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.928 1.242 -13.965 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.627 -0.724 -13.455 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.809 0.435 -14.200 1.00 0.00 C ATOM 0 H TRP A 60 -5.259 0.074 -8.218 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.738 -1.120 -9.379 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.934 -1.982 -9.981 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.426 -2.435 -10.782 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.408 0.786 -10.980 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.404 2.259 -12.862 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.327 -2.078 -11.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.102 2.150 -14.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.752 -1.322 -13.662 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.090 0.712 -14.957 1.00 0.00 H new ATOM 885 N LYS A 61 -7.487 -3.230 -8.017 1.00 0.00 N ATOM 886 CA LYS A 61 -7.526 -4.282 -7.016 1.00 0.00 C ATOM 887 C LYS A 61 -6.734 -5.491 -7.522 1.00 0.00 C ATOM 888 O LYS A 61 -7.258 -6.306 -8.280 1.00 0.00 O ATOM 889 CB LYS A 61 -8.971 -4.608 -6.637 1.00 0.00 C ATOM 890 CG LYS A 61 -9.024 -5.668 -5.534 1.00 0.00 C ATOM 891 CD LYS A 61 -10.063 -6.744 -5.857 1.00 0.00 C ATOM 892 CE LYS A 61 -10.689 -7.302 -4.577 1.00 0.00 C ATOM 893 NZ LYS A 61 -9.636 -7.752 -3.639 1.00 0.00 N ATOM 0 H LYS A 61 -8.165 -3.334 -8.772 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.047 -3.950 -6.095 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.475 -3.702 -6.300 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.509 -4.965 -7.515 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.042 -6.128 -5.419 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.268 -5.196 -4.582 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.841 -6.324 -6.494 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.593 -7.552 -6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.304 -6.537 -4.103 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.348 -8.136 -4.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.876 -8.696 -3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.724 -7.795 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.567 -7.082 -2.847 1.00 0.00 H new ATOM 907 N ALA A 62 -5.487 -5.567 -7.082 1.00 0.00 N ATOM 908 CA ALA A 62 -4.620 -6.663 -7.480 1.00 0.00 C ATOM 909 C ALA A 62 -4.271 -7.504 -6.252 1.00 0.00 C ATOM 910 O ALA A 62 -4.526 -7.094 -5.121 1.00 0.00 O ATOM 911 CB ALA A 62 -3.377 -6.101 -8.175 1.00 0.00 C ATOM 0 H ALA A 62 -5.056 -4.888 -6.454 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.126 -7.315 -8.192 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.725 -6.922 -8.474 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.678 -5.536 -9.057 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.842 -5.445 -7.489 1.00 0.00 H new ATOM 917 N ARG A 63 -3.692 -8.667 -6.515 1.00 0.00 N ATOM 918 CA ARG A 63 -3.306 -9.570 -5.445 1.00 0.00 C ATOM 919 C ARG A 63 -1.787 -9.757 -5.431 1.00 0.00 C ATOM 920 O ARG A 63 -1.197 -10.153 -6.434 1.00 0.00 O ATOM 921 CB ARG A 63 -3.978 -10.935 -5.606 1.00 0.00 C ATOM 922 CG ARG A 63 -3.177 -12.029 -4.897 1.00 0.00 C ATOM 923 CD ARG A 63 -2.408 -12.885 -5.904 1.00 0.00 C ATOM 924 NE ARG A 63 -3.352 -13.680 -6.719 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.979 -14.552 -7.666 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.679 -14.745 -7.922 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.906 -15.230 -8.356 1.00 0.00 N ATOM 0 H ARG A 63 -3.481 -9.004 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.631 -9.126 -4.504 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.988 -10.897 -5.198 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.071 -11.176 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.480 -11.576 -4.192 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.851 -12.660 -4.317 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.805 -12.247 -6.550 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.720 -13.548 -5.379 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.350 -13.557 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.974 -14.229 -7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.394 -15.408 -8.642 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.896 -15.083 -8.161 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.621 -15.893 -9.077 1.00 0.00 H new ATOM 941 N SER A 64 -1.197 -9.462 -4.281 1.00 0.00 N ATOM 942 CA SER A 64 0.241 -9.593 -4.122 1.00 0.00 C ATOM 943 C SER A 64 0.682 -11.009 -4.496 1.00 0.00 C ATOM 944 O SER A 64 0.074 -11.987 -4.064 1.00 0.00 O ATOM 945 CB SER A 64 0.669 -9.264 -2.691 1.00 0.00 C ATOM 946 OG SER A 64 2.079 -9.085 -2.583 1.00 0.00 O ATOM 0 H SER A 64 -1.689 -9.133 -3.451 1.00 0.00 H new ATOM 0 HA SER A 64 0.725 -8.881 -4.790 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.162 -8.357 -2.360 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.353 -10.067 -2.025 1.00 0.00 H new ATOM 0 HG SER A 64 2.312 -8.875 -1.655 1.00 0.00 H new ATOM 952 N LEU A 65 1.737 -11.074 -5.295 1.00 0.00 N ATOM 953 CA LEU A 65 2.267 -12.355 -5.732 1.00 0.00 C ATOM 954 C LEU A 65 3.335 -12.824 -4.743 1.00 0.00 C ATOM 955 O LEU A 65 4.208 -13.617 -5.095 1.00 0.00 O ATOM 956 CB LEU A 65 2.764 -12.264 -7.176 1.00 0.00 C ATOM 957 CG LEU A 65 1.711 -12.489 -8.263 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.673 -11.365 -8.262 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.367 -12.663 -9.635 1.00 0.00 C ATOM 0 H LEU A 65 2.239 -10.261 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 65 1.482 -13.111 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.207 -11.279 -7.325 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.560 -12.996 -7.312 1.00 0.00 H new ATOM 0 HG LEU A 65 1.182 -13.416 -8.040 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.064 -11.549 -9.044 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.174 -11.332 -7.294 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.168 -10.412 -8.448 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.596 -12.821 -10.389 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.938 -11.768 -9.882 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.035 -13.524 -9.612 1.00 0.00 H new ATOM 971 N ALA A 66 3.232 -12.314 -3.524 1.00 0.00 N ATOM 972 CA ALA A 66 4.179 -12.672 -2.481 1.00 0.00 C ATOM 973 C ALA A 66 3.426 -13.312 -1.313 1.00 0.00 C ATOM 974 O ALA A 66 3.906 -14.273 -0.713 1.00 0.00 O ATOM 975 CB ALA A 66 4.964 -11.429 -2.056 1.00 0.00 C ATOM 0 H ALA A 66 2.508 -11.656 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 66 4.899 -13.403 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.674 -11.697 -1.274 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.503 -11.028 -2.914 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.274 -10.675 -1.677 1.00 0.00 H new ATOM 981 N THR A 67 2.259 -12.756 -1.025 1.00 0.00 N ATOM 982 CA THR A 67 1.436 -13.261 0.059 1.00 0.00 C ATOM 983 C THR A 67 0.059 -13.673 -0.464 1.00 0.00 C ATOM 984 O THR A 67 -0.763 -14.199 0.287 1.00 0.00 O ATOM 985 CB THR A 67 1.376 -12.186 1.148 1.00 0.00 C ATOM 986 OG1 THR A 67 1.278 -10.964 0.422 1.00 0.00 O ATOM 987 CG2 THR A 67 2.691 -12.059 1.918 1.00 0.00 C ATOM 0 H THR A 67 1.864 -11.959 -1.525 1.00 0.00 H new ATOM 0 HA THR A 67 1.866 -14.163 0.495 1.00 0.00 H new ATOM 0 HB THR A 67 0.570 -12.418 1.844 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.696 -10.243 0.937 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.594 -11.283 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.925 -13.009 2.397 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.492 -11.793 1.228 1.00 0.00 H new ATOM 995 N ARG A 68 -0.152 -13.420 -1.747 1.00 0.00 N ATOM 996 CA ARG A 68 -1.415 -13.758 -2.379 1.00 0.00 C ATOM 997 C ARG A 68 -2.551 -12.929 -1.775 1.00 0.00 C ATOM 998 O ARG A 68 -3.717 -13.306 -1.867 1.00 0.00 O ATOM 999 CB ARG A 68 -1.736 -15.245 -2.211 1.00 0.00 C ATOM 1000 CG ARG A 68 -0.595 -16.115 -2.744 1.00 0.00 C ATOM 1001 CD ARG A 68 -0.798 -16.436 -4.227 1.00 0.00 C ATOM 1002 NE ARG A 68 -1.635 -17.648 -4.372 1.00 0.00 N ATOM 1003 CZ ARG A 68 -2.957 -17.627 -4.591 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -3.600 -16.455 -4.692 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -3.636 -18.776 -4.710 1.00 0.00 N ATOM 0 H ARG A 68 0.531 -12.984 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.322 -13.535 -3.442 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.906 -15.467 -1.158 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.658 -15.484 -2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.355 -15.599 -2.606 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.541 -17.041 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.274 -15.593 -4.728 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.167 -16.590 -4.710 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.177 -18.557 -4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -3.083 -15.580 -4.602 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.606 -16.438 -4.859 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.147 -19.668 -4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.642 -18.759 -4.877 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.168 -11.813 -1.171 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.139 -10.926 -0.553 1.00 0.00 C ATOM 1021 C LYS A 69 -3.967 -10.243 -1.644 1.00 0.00 C ATOM 1022 O LYS A 69 -3.731 -10.456 -2.832 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.443 -9.946 0.394 1.00 0.00 C ATOM 1024 CG LYS A 69 -1.911 -10.668 1.634 1.00 0.00 C ATOM 1025 CD LYS A 69 -0.988 -9.757 2.445 1.00 0.00 C ATOM 1026 CE LYS A 69 -1.448 -9.664 3.901 1.00 0.00 C ATOM 1027 NZ LYS A 69 -0.317 -9.292 4.780 1.00 0.00 N ATOM 0 H LYS A 69 -1.199 -11.503 -1.097 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.833 -11.494 0.066 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.621 -9.454 -0.126 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.142 -9.166 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.745 -10.993 2.256 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.370 -11.565 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.032 -10.140 2.406 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.972 -8.762 2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.244 -8.925 3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.864 -10.620 4.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.647 -9.233 5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 0.430 -10.012 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 0.062 -8.369 4.486 1.00 0.00 H new ATOM 1041 N GLU A 70 -4.919 -9.435 -1.201 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.784 -8.720 -2.124 1.00 0.00 C ATOM 1043 C GLU A 70 -6.138 -7.343 -1.560 1.00 0.00 C ATOM 1044 O GLU A 70 -6.244 -7.173 -0.346 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.045 -9.528 -2.432 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.767 -10.601 -3.487 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.846 -11.683 -3.468 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -7.760 -12.556 -2.578 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.736 -11.614 -4.345 1.00 0.00 O ATOM 0 H GLU A 70 -5.110 -9.260 -0.215 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.246 -8.580 -3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.412 -9.997 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.831 -8.861 -2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.725 -10.142 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.792 -11.052 -3.303 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.313 -6.394 -2.469 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.653 -5.037 -2.076 1.00 0.00 C ATOM 1058 C GLY A 71 -6.321 -4.044 -3.192 1.00 0.00 C ATOM 1059 O GLY A 71 -5.595 -4.377 -4.128 1.00 0.00 O ATOM 0 H GLY A 71 -6.226 -6.538 -3.475 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.715 -4.979 -1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.107 -4.769 -1.171 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.869 -2.846 -3.057 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.640 -1.803 -4.042 1.00 0.00 C ATOM 1065 C TYR A 72 -5.216 -1.252 -3.938 1.00 0.00 C ATOM 1066 O TYR A 72 -4.698 -1.064 -2.837 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.631 -0.685 -3.711 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.087 -1.029 -4.029 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.414 -1.583 -5.250 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.074 -0.786 -3.095 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.784 -1.908 -5.550 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.444 -1.111 -3.395 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.732 -1.655 -4.607 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.027 -1.961 -4.889 1.00 0.00 O ATOM 0 H TYR A 72 -7.471 -2.574 -2.280 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.771 -2.194 -5.051 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.549 -0.443 -2.651 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.351 0.211 -4.265 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.642 -1.773 -5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.819 -0.352 -2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.053 -2.343 -6.501 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.226 -0.927 -2.673 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.593 -1.727 -4.124 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.622 -1.012 -5.097 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.268 -0.488 -5.150 1.00 0.00 C ATOM 1086 C ILE A 73 -3.212 0.667 -6.151 1.00 0.00 C ATOM 1087 O ILE A 73 -3.985 0.703 -7.108 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.270 -1.610 -5.449 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.658 -2.363 -6.723 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.126 -2.548 -4.249 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.496 -2.389 -7.718 1.00 0.00 C ATOM 0 H ILE A 73 -5.054 -1.171 -6.007 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.978 -0.085 -4.180 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.293 -1.161 -5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.950 -3.383 -6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.524 -1.887 -7.182 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.412 -3.336 -4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.770 -1.984 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.094 -2.993 -4.017 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.797 -2.930 -8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.222 -1.368 -7.985 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.639 -2.887 -7.264 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.264 1.608 -5.892 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.096 2.762 -6.759 1.00 0.00 C ATOM 1105 C PRO A 74 -1.399 2.369 -8.063 1.00 0.00 C ATOM 1106 O PRO A 74 -0.365 1.704 -8.043 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.299 3.760 -5.936 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.653 2.958 -4.819 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.331 1.597 -4.769 1.00 0.00 C ATOM 0 HA PRO A 74 -3.046 3.195 -7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.545 4.256 -6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.946 4.539 -5.533 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.416 2.845 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.763 3.474 -3.865 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.606 0.789 -4.864 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.851 1.448 -3.823 1.00 0.00 H new ATOM 1117 N SER A 75 -1.994 2.800 -9.167 1.00 0.00 N ATOM 1118 CA SER A 75 -1.442 2.502 -10.478 1.00 0.00 C ATOM 1119 C SER A 75 -0.220 3.382 -10.744 1.00 0.00 C ATOM 1120 O SER A 75 0.665 3.008 -11.512 1.00 0.00 O ATOM 1121 CB SER A 75 -2.490 2.705 -11.575 1.00 0.00 C ATOM 1122 OG SER A 75 -1.894 2.883 -12.856 1.00 0.00 O ATOM 0 H SER A 75 -2.851 3.352 -9.180 1.00 0.00 H new ATOM 0 HA SER A 75 -1.138 1.455 -10.491 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.158 1.844 -11.602 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.102 3.575 -11.336 1.00 0.00 H new ATOM 0 HG SER A 75 -2.445 2.444 -13.537 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.209 4.537 -10.093 1.00 0.00 N ATOM 1129 CA ASN A 76 0.890 5.474 -10.251 1.00 0.00 C ATOM 1130 C ASN A 76 2.123 4.933 -9.522 1.00 0.00 C ATOM 1131 O ASN A 76 3.203 5.513 -9.611 1.00 0.00 O ATOM 1132 CB ASN A 76 0.543 6.836 -9.646 1.00 0.00 C ATOM 1133 CG ASN A 76 0.724 6.824 -8.127 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.719 5.787 -7.483 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.882 8.031 -7.591 1.00 0.00 N ATOM 0 H ASN A 76 -0.944 4.844 -9.456 1.00 0.00 H new ATOM 0 HA ASN A 76 1.084 5.592 -11.317 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.178 7.605 -10.085 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.487 7.095 -9.891 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.009 8.129 -6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.876 8.859 -8.187 1.00 0.00 H new ATOM 1142 N TYR A 77 1.918 3.829 -8.819 1.00 0.00 N ATOM 1143 CA TYR A 77 2.999 3.205 -8.077 1.00 0.00 C ATOM 1144 C TYR A 77 3.335 1.827 -8.651 1.00 0.00 C ATOM 1145 O TYR A 77 4.147 1.096 -8.087 1.00 0.00 O ATOM 1146 CB TYR A 77 2.485 3.035 -6.645 1.00 0.00 C ATOM 1147 CG TYR A 77 3.114 4.001 -5.640 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.207 5.345 -5.939 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.588 3.528 -4.432 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.799 6.254 -4.993 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.180 4.438 -3.486 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.256 5.756 -3.812 1.00 0.00 C ATOM 1153 OH TYR A 77 4.815 6.615 -2.918 1.00 0.00 O ATOM 0 H TYR A 77 1.020 3.351 -8.748 1.00 0.00 H new ATOM 0 HA TYR A 77 3.901 3.815 -8.129 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.404 3.174 -6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.677 2.013 -6.320 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.835 5.715 -6.883 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.515 2.476 -4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.879 7.308 -5.216 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.555 4.082 -2.538 1.00 0.00 H new ATOM 0 HH TYR A 77 4.491 7.524 -3.091 1.00 0.00 H new ATOM 1163 N VAL A 78 2.692 1.514 -9.767 1.00 0.00 N ATOM 1164 CA VAL A 78 2.912 0.237 -10.425 1.00 0.00 C ATOM 1165 C VAL A 78 3.276 0.480 -11.891 1.00 0.00 C ATOM 1166 O VAL A 78 3.199 1.608 -12.375 1.00 0.00 O ATOM 1167 CB VAL A 78 1.684 -0.658 -10.253 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.190 -0.642 -8.805 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.568 -0.249 -11.217 1.00 0.00 C ATOM 0 H VAL A 78 2.019 2.123 -10.232 1.00 0.00 H new ATOM 0 HA VAL A 78 3.748 -0.291 -9.966 1.00 0.00 H new ATOM 0 HB VAL A 78 1.979 -1.679 -10.494 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.316 -1.287 -8.712 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.980 -1.004 -8.147 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.921 0.376 -8.523 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.294 -0.901 -11.074 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.278 0.783 -11.021 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.923 -0.337 -12.244 1.00 0.00 H new ATOM 1179 N ALA A 79 3.663 -0.598 -12.557 1.00 0.00 N ATOM 1180 CA ALA A 79 4.040 -0.516 -13.959 1.00 0.00 C ATOM 1181 C ALA A 79 3.916 -1.901 -14.596 1.00 0.00 C ATOM 1182 O ALA A 79 4.701 -2.799 -14.296 1.00 0.00 O ATOM 1183 CB ALA A 79 5.454 0.056 -14.076 1.00 0.00 C ATOM 0 H ALA A 79 3.724 -1.532 -12.153 1.00 0.00 H new ATOM 0 HA ALA A 79 3.372 0.156 -14.498 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.736 0.117 -15.127 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.481 1.052 -13.634 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.154 -0.593 -13.550 1.00 0.00 H new ATOM 1189 N ARG A 80 2.924 -2.031 -15.465 1.00 0.00 N ATOM 1190 CA ARG A 80 2.687 -3.291 -16.148 1.00 0.00 C ATOM 1191 C ARG A 80 4.016 -3.958 -16.507 1.00 0.00 C ATOM 1192 O ARG A 80 4.953 -3.289 -16.944 1.00 0.00 O ATOM 1193 CB ARG A 80 1.868 -3.081 -17.424 1.00 0.00 C ATOM 1194 CG ARG A 80 0.386 -3.370 -17.177 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.236 -4.097 -18.371 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.386 -3.322 -18.891 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.176 -3.733 -19.893 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.945 -4.910 -20.489 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.197 -2.965 -20.298 1.00 0.00 N ATOM 0 H ARG A 80 2.275 -1.284 -15.712 1.00 0.00 H new ATOM 0 HA ARG A 80 2.125 -3.934 -15.471 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.989 -2.056 -17.774 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.243 -3.733 -18.213 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.275 -3.977 -16.279 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.146 -2.435 -16.998 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.509 -4.229 -19.156 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.563 -5.093 -18.071 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.589 -2.420 -18.460 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.168 -5.494 -20.180 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.546 -5.222 -21.251 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.372 -2.069 -19.844 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.799 -3.277 -21.060 1.00 0.00 H new ATOM 1213 N VAL A 81 4.057 -5.268 -16.310 1.00 0.00 N ATOM 1214 CA VAL A 81 5.257 -6.032 -16.607 1.00 0.00 C ATOM 1215 C VAL A 81 5.587 -5.896 -18.095 1.00 0.00 C ATOM 1216 O VAL A 81 6.755 -5.909 -18.479 1.00 0.00 O ATOM 1217 CB VAL A 81 5.073 -7.486 -16.167 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.697 -8.375 -17.353 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.329 -8.008 -15.465 1.00 0.00 C ATOM 0 H VAL A 81 3.279 -5.819 -15.948 1.00 0.00 H new ATOM 0 HA VAL A 81 6.107 -5.641 -16.048 1.00 0.00 H new ATOM 0 HB VAL A 81 4.251 -7.519 -15.452 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.572 -9.403 -17.012 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.763 -8.022 -17.791 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.487 -8.335 -18.103 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.173 -9.043 -15.162 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.177 -7.954 -16.148 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.533 -7.399 -14.584 1.00 0.00 H new ATOM 1229 N ASP A 82 4.537 -5.768 -18.893 1.00 0.00 N ATOM 1230 CA ASP A 82 4.701 -5.630 -20.329 1.00 0.00 C ATOM 1231 C ASP A 82 4.895 -4.152 -20.676 1.00 0.00 C ATOM 1232 O ASP A 82 4.840 -3.772 -21.845 1.00 0.00 O ATOM 1233 CB ASP A 82 3.461 -6.130 -21.076 1.00 0.00 C ATOM 1234 CG ASP A 82 3.749 -6.847 -22.397 1.00 0.00 C ATOM 1235 OD1 ASP A 82 3.983 -8.073 -22.339 1.00 0.00 O ATOM 1236 OD2 ASP A 82 3.728 -6.151 -23.436 1.00 0.00 O ATOM 0 H ASP A 82 3.569 -5.757 -18.571 1.00 0.00 H new ATOM 0 HA ASP A 82 5.566 -6.222 -20.628 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.911 -6.808 -20.424 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.808 -5.280 -21.276 1.00 0.00 H new ATOM 1241 N SER A 83 5.121 -3.358 -19.639 1.00 0.00 N ATOM 1242 CA SER A 83 5.325 -1.931 -19.820 1.00 0.00 C ATOM 1243 C SER A 83 6.722 -1.537 -19.337 1.00 0.00 C ATOM 1244 O SER A 83 6.936 -0.408 -18.899 1.00 0.00 O ATOM 1245 CB SER A 83 4.260 -1.124 -19.075 1.00 0.00 C ATOM 1246 OG SER A 83 4.299 0.258 -19.418 1.00 0.00 O ATOM 0 H SER A 83 5.167 -3.676 -18.671 1.00 0.00 H new ATOM 0 HA SER A 83 5.237 -1.705 -20.883 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.274 -1.527 -19.305 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.407 -1.235 -18.001 1.00 0.00 H new ATOM 0 HG SER A 83 5.221 0.584 -19.359 1.00 0.00 H new ATOM 1378 N PRO B 124 -7.040 10.803 -4.869 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.960 11.099 -5.794 1.00 0.00 C ATOM 1380 C PRO B 124 -4.732 10.238 -5.497 1.00 0.00 C ATOM 1381 O PRO B 124 -4.364 10.052 -4.337 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.697 12.587 -5.628 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.313 12.972 -4.293 1.00 0.00 C ATOM 1384 CD PRO B 124 -7.221 11.836 -3.853 1.00 0.00 C ATOM 0 HA PRO B 124 -6.216 10.866 -6.828 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.628 12.799 -5.640 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.144 13.156 -6.443 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.535 13.148 -3.550 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.879 13.899 -4.387 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.947 11.471 -2.863 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -8.261 12.159 -3.797 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.129 9.733 -6.564 1.00 0.00 N ATOM 1393 CA LEU B 125 -2.949 8.895 -6.431 1.00 0.00 C ATOM 1394 C LEU B 125 -2.041 9.470 -5.343 1.00 0.00 C ATOM 1395 O LEU B 125 -2.084 10.667 -5.061 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.257 8.728 -7.785 1.00 0.00 C ATOM 1397 CG LEU B 125 -2.897 7.722 -8.745 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.567 8.067 -10.199 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.492 6.290 -8.390 1.00 0.00 C ATOM 0 H LEU B 125 -4.436 9.888 -7.524 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.228 7.890 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.225 9.700 -8.277 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.225 8.426 -7.609 1.00 0.00 H new ATOM 0 HG LEU B 125 -3.980 7.786 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.033 7.337 -10.861 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -2.946 9.062 -10.432 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.487 8.048 -10.341 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -2.961 5.596 -9.088 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.408 6.192 -8.453 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -2.818 6.060 -7.376 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.216 8.568 -4.746 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.299 8.972 -3.695 1.00 0.00 C ATOM 1413 C PRO B 126 0.896 9.733 -4.274 1.00 0.00 C ATOM 1414 O PRO B 126 1.153 9.671 -5.476 1.00 0.00 O ATOM 1415 CB PRO B 126 0.099 7.681 -3.001 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.242 6.563 -3.973 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.138 7.142 -5.055 1.00 0.00 C ATOM 0 HA PRO B 126 -0.751 9.666 -2.986 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.162 7.679 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.441 7.560 -2.062 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.666 6.148 -4.411 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.747 5.748 -3.455 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.720 6.974 -6.048 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.125 6.679 -5.042 1.00 0.00 H new ATOM 1425 N PRO B 127 1.615 10.450 -3.369 1.00 0.00 N ATOM 1426 CA PRO B 127 2.777 11.221 -3.777 1.00 0.00 C ATOM 1427 C PRO B 127 3.972 10.307 -4.052 1.00 0.00 C ATOM 1428 O PRO B 127 4.447 9.613 -3.155 1.00 0.00 O ATOM 1429 CB PRO B 127 3.023 12.194 -2.636 1.00 0.00 C ATOM 1430 CG PRO B 127 2.286 11.625 -1.435 1.00 0.00 C ATOM 1431 CD PRO B 127 1.341 10.546 -1.938 1.00 0.00 C ATOM 0 HA PRO B 127 2.619 11.757 -4.713 1.00 0.00 H new ATOM 0 HB2 PRO B 127 4.089 12.292 -2.429 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.654 13.189 -2.885 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.992 11.210 -0.715 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.731 12.409 -0.921 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.522 9.596 -1.436 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.301 10.812 -1.751 1.00 0.00 H new ATOM 1439 N LEU B 128 4.423 10.335 -5.298 1.00 0.00 N ATOM 1440 CA LEU B 128 5.554 9.517 -5.703 1.00 0.00 C ATOM 1441 C LEU B 128 6.758 9.845 -4.818 1.00 0.00 C ATOM 1442 O LEU B 128 7.093 11.013 -4.628 1.00 0.00 O ATOM 1443 CB LEU B 128 5.826 9.684 -7.200 1.00 0.00 C ATOM 1444 CG LEU B 128 4.984 8.815 -8.136 1.00 0.00 C ATOM 1445 CD1 LEU B 128 5.473 8.933 -9.580 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.955 7.362 -7.658 1.00 0.00 C ATOM 0 H LEU B 128 4.026 10.911 -6.040 1.00 0.00 H new ATOM 0 HA LEU B 128 5.332 8.460 -5.559 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.665 10.729 -7.464 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.878 9.467 -7.384 1.00 0.00 H new ATOM 0 HG LEU B 128 3.958 9.182 -8.112 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.858 8.306 -10.225 1.00 0.00 H new ATOM 0 HD12 LEU B 128 5.399 9.971 -9.906 1.00 0.00 H new ATOM 0 HD13 LEU B 128 6.511 8.607 -9.640 1.00 0.00 H new ATOM 0 HD21 LEU B 128 4.350 6.766 -8.341 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.970 6.967 -7.634 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.524 7.317 -6.658 1.00 0.00 H new ATOM 1458 N PRO B 129 7.391 8.765 -4.286 1.00 0.00 N ATOM 1459 CA PRO B 129 8.551 8.926 -3.426 1.00 0.00 C ATOM 1460 C PRO B 129 9.792 9.296 -4.242 1.00 0.00 C ATOM 1461 O PRO B 129 10.692 9.967 -3.739 1.00 0.00 O ATOM 1462 CB PRO B 129 8.691 7.598 -2.701 1.00 0.00 C ATOM 1463 CG PRO B 129 7.896 6.592 -3.518 1.00 0.00 C ATOM 1464 CD PRO B 129 7.022 7.367 -4.490 1.00 0.00 C ATOM 0 HA PRO B 129 8.436 9.743 -2.714 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.737 7.302 -2.627 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.306 7.666 -1.683 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.567 5.923 -4.058 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.283 5.970 -2.866 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.202 7.056 -5.519 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.963 7.203 -4.288 1.00 0.00 H new