USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 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 28 THR OG1 : rot 33:sc= 0.235 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 113:sc= 0.257 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.894 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.336! C(o=-0.34!,f=-5.7!) USER MOD Single : A 56 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.8) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.291! F(o=-1.5,f=-0.29!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -58:sc= 0.907! USER MOD Single : A 70 THR OG1 : rot -150:sc= -1.21 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -115:sc= 0.841 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 93 TYR OH : rot -75:sc= 0.124! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.727 2.786 -0.963 1.00 0.00 N ATOM 325 CA THR A 28 7.004 2.670 -2.224 1.00 0.00 C ATOM 326 C THR A 28 5.506 2.863 -2.018 1.00 0.00 C ATOM 327 O THR A 28 4.909 2.254 -1.129 1.00 0.00 O ATOM 328 CB THR A 28 7.248 1.301 -2.887 1.00 0.00 C ATOM 329 OG1 THR A 28 8.648 1.002 -2.894 1.00 0.00 O ATOM 330 CG2 THR A 28 6.715 1.288 -4.312 1.00 0.00 C ATOM 0 HA THR A 28 7.382 3.455 -2.879 1.00 0.00 H new ATOM 0 HB THR A 28 6.718 0.543 -2.310 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.068 1.384 -2.095 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.898 0.311 -4.760 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.643 1.487 -4.301 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.221 2.056 -4.897 1.00 0.00 H new ATOM 338 N ILE A 29 4.905 3.711 -2.845 1.00 0.00 N ATOM 339 CA ILE A 29 3.475 3.982 -2.754 1.00 0.00 C ATOM 340 C ILE A 29 2.659 2.807 -3.283 1.00 0.00 C ATOM 341 O ILE A 29 2.996 2.215 -4.309 1.00 0.00 O ATOM 342 CB ILE A 29 3.092 5.252 -3.535 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.494 6.502 -2.749 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.600 5.263 -3.830 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.879 6.570 -1.368 1.00 0.00 C ATOM 0 H ILE A 29 5.385 4.222 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 29 3.248 4.133 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 29 3.630 5.253 -4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.580 6.530 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.199 7.387 -3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.345 6.167 -4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.341 4.388 -4.426 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.044 5.242 -2.893 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.207 7.481 -0.868 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.792 6.574 -1.453 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.194 5.704 -0.786 1.00 0.00 H new ATOM 357 N PHE A 30 1.582 2.477 -2.578 1.00 0.00 N ATOM 358 CA PHE A 30 0.715 1.374 -2.977 1.00 0.00 C ATOM 359 C PHE A 30 -0.754 1.739 -2.785 1.00 0.00 C ATOM 360 O PHE A 30 -1.114 2.426 -1.829 1.00 0.00 O ATOM 361 CB PHE A 30 1.050 0.118 -2.171 1.00 0.00 C ATOM 362 CG PHE A 30 2.146 -0.710 -2.778 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.458 -0.265 -2.764 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.865 -1.934 -3.363 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.468 -1.025 -3.323 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.871 -2.699 -3.924 1.00 0.00 C ATOM 367 CZ PHE A 30 4.175 -2.244 -3.902 1.00 0.00 C ATOM 0 H PHE A 30 1.289 2.958 -1.727 1.00 0.00 H new ATOM 0 HA PHE A 30 0.886 1.175 -4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.343 0.411 -1.163 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.153 -0.494 -2.077 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.694 0.687 -2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.847 -2.295 -3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.486 -0.666 -3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.638 -3.650 -4.379 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.964 -2.840 -4.337 1.00 0.00 H new ATOM 377 N VAL A 31 -1.597 1.276 -3.702 1.00 0.00 N ATOM 378 CA VAL A 31 -3.027 1.552 -3.634 1.00 0.00 C ATOM 379 C VAL A 31 -3.832 0.262 -3.520 1.00 0.00 C ATOM 380 O VAL A 31 -3.458 -0.766 -4.083 1.00 0.00 O ATOM 381 CB VAL A 31 -3.507 2.335 -4.871 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.996 2.121 -5.094 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.189 3.815 -4.719 1.00 0.00 C ATOM 0 H VAL A 31 -1.315 0.708 -4.501 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.190 2.158 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.976 1.960 -5.746 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.317 2.682 -5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.192 1.060 -5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.548 2.468 -4.220 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.535 4.354 -5.601 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.692 4.206 -3.835 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.112 3.947 -4.612 1.00 0.00 H new ATOM 393 N ALA A 32 -4.938 0.324 -2.787 1.00 0.00 N ATOM 394 CA ALA A 32 -5.798 -0.838 -2.600 1.00 0.00 C ATOM 395 C ALA A 32 -6.895 -0.885 -3.658 1.00 0.00 C ATOM 396 O ALA A 32 -7.705 0.036 -3.769 1.00 0.00 O ATOM 397 CB ALA A 32 -6.406 -0.826 -1.206 1.00 0.00 C ATOM 0 H ALA A 32 -5.260 1.167 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.186 -1.733 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.046 -1.700 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.610 -0.849 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.999 0.079 -1.075 1.00 0.00 H new ATOM 403 N LEU A 33 -6.916 -1.963 -4.435 1.00 0.00 N ATOM 404 CA LEU A 33 -7.914 -2.129 -5.485 1.00 0.00 C ATOM 405 C LEU A 33 -9.178 -2.783 -4.937 1.00 0.00 C ATOM 406 O LEU A 33 -10.286 -2.492 -5.389 1.00 0.00 O ATOM 407 CB LEU A 33 -7.345 -2.973 -6.628 1.00 0.00 C ATOM 408 CG LEU A 33 -5.878 -2.724 -6.979 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.381 -3.769 -7.966 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.695 -1.323 -7.546 1.00 0.00 C ATOM 0 H LEU A 33 -6.253 -2.734 -4.357 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.173 -1.141 -5.864 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.463 -4.025 -6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.947 -2.795 -7.519 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.287 -2.805 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.335 -3.576 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.475 -4.761 -7.524 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.976 -3.720 -8.878 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.645 -1.164 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.298 -1.214 -8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.011 -0.587 -6.807 1.00 0.00 H new ATOM 422 N TYR A 34 -9.005 -3.665 -3.958 1.00 0.00 N ATOM 423 CA TYR A 34 -10.132 -4.360 -3.348 1.00 0.00 C ATOM 424 C TYR A 34 -10.266 -3.990 -1.874 1.00 0.00 C ATOM 425 O TYR A 34 -9.276 -3.699 -1.202 1.00 0.00 O ATOM 426 CB TYR A 34 -9.964 -5.873 -3.492 1.00 0.00 C ATOM 427 CG TYR A 34 -9.232 -6.284 -4.749 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.884 -6.321 -5.976 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.888 -6.636 -4.711 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.220 -6.696 -7.127 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.216 -7.012 -5.858 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.885 -7.040 -7.063 1.00 0.00 C ATOM 433 OH TYR A 34 -7.219 -7.415 -8.208 1.00 0.00 O ATOM 0 H TYR A 34 -8.095 -3.915 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.040 -4.051 -3.866 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.423 -6.254 -2.626 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.948 -6.342 -3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.928 -6.052 -6.030 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.360 -6.615 -3.769 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.742 -6.720 -8.072 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.172 -7.283 -5.811 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.287 -7.624 -7.990 1.00 0.00 H new ATOM 443 N ASP A 35 -11.498 -4.004 -1.377 1.00 0.00 N ATOM 444 CA ASP A 35 -11.764 -3.672 0.018 1.00 0.00 C ATOM 445 C ASP A 35 -11.441 -4.852 0.929 1.00 0.00 C ATOM 446 O ASP A 35 -11.979 -5.946 0.758 1.00 0.00 O ATOM 447 CB ASP A 35 -13.226 -3.259 0.197 1.00 0.00 C ATOM 448 CG ASP A 35 -14.182 -4.188 -0.525 1.00 0.00 C ATOM 449 OD1 ASP A 35 -13.916 -5.408 -0.553 1.00 0.00 O ATOM 450 OD2 ASP A 35 -15.197 -3.695 -1.060 1.00 0.00 O ATOM 0 H ASP A 35 -12.328 -4.242 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.122 -2.836 0.295 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.469 -3.246 1.259 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.362 -2.243 -0.174 1.00 0.00 H new ATOM 455 N TYR A 36 -10.558 -4.623 1.895 1.00 0.00 N ATOM 456 CA TYR A 36 -10.160 -5.668 2.830 1.00 0.00 C ATOM 457 C TYR A 36 -10.366 -5.216 4.273 1.00 0.00 C ATOM 458 O TYR A 36 -10.550 -4.029 4.541 1.00 0.00 O ATOM 459 CB TYR A 36 -8.696 -6.051 2.607 1.00 0.00 C ATOM 460 CG TYR A 36 -8.205 -7.133 3.542 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.515 -8.469 3.315 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.431 -6.821 4.653 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.068 -9.461 4.166 1.00 0.00 C ATOM 464 CE2 TYR A 36 -6.979 -7.806 5.509 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.300 -9.124 5.261 1.00 0.00 C ATOM 466 OH TYR A 36 -6.853 -10.109 6.112 1.00 0.00 O ATOM 0 H TYR A 36 -10.104 -3.723 2.051 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.788 -6.540 2.649 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.570 -6.387 1.578 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.074 -5.165 2.732 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.116 -8.736 2.458 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.178 -5.790 4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.318 -10.494 3.975 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.378 -7.546 6.368 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.877 -10.178 6.049 1.00 0.00 H new ATOM 476 N GLU A 37 -10.331 -6.171 5.196 1.00 0.00 N ATOM 477 CA GLU A 37 -10.514 -5.871 6.612 1.00 0.00 C ATOM 478 C GLU A 37 -9.518 -6.650 7.466 1.00 0.00 C ATOM 479 O GLU A 37 -9.491 -7.880 7.439 1.00 0.00 O ATOM 480 CB GLU A 37 -11.943 -6.201 7.046 1.00 0.00 C ATOM 481 CG GLU A 37 -12.260 -5.778 8.470 1.00 0.00 C ATOM 482 CD GLU A 37 -12.711 -4.333 8.563 1.00 0.00 C ATOM 483 OE1 GLU A 37 -13.512 -3.905 7.705 1.00 0.00 O ATOM 484 OE2 GLU A 37 -12.264 -3.631 9.493 1.00 0.00 O ATOM 0 H GLU A 37 -10.178 -7.158 4.990 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.336 -4.806 6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.642 -5.713 6.367 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.104 -7.275 6.951 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.040 -6.425 8.872 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.376 -5.920 9.092 1.00 0.00 H new ATOM 491 N ALA A 38 -8.701 -5.925 8.223 1.00 0.00 N ATOM 492 CA ALA A 38 -7.705 -6.547 9.086 1.00 0.00 C ATOM 493 C ALA A 38 -8.338 -7.610 9.977 1.00 0.00 C ATOM 494 O ALA A 38 -9.051 -7.292 10.929 1.00 0.00 O ATOM 495 CB ALA A 38 -7.008 -5.493 9.933 1.00 0.00 C ATOM 0 H ALA A 38 -8.710 -4.906 8.256 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.965 -7.035 8.452 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.267 -5.972 10.573 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.514 -4.772 9.282 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.743 -4.979 10.552 1.00 0.00 H new ATOM 501 N ARG A 39 -8.074 -8.874 9.661 1.00 0.00 N ATOM 502 CA ARG A 39 -8.619 -9.984 10.433 1.00 0.00 C ATOM 503 C ARG A 39 -8.178 -9.902 11.891 1.00 0.00 C ATOM 504 O ARG A 39 -8.985 -10.070 12.806 1.00 0.00 O ATOM 505 CB ARG A 39 -8.177 -11.319 9.829 1.00 0.00 C ATOM 506 CG ARG A 39 -8.862 -11.649 8.513 1.00 0.00 C ATOM 507 CD ARG A 39 -8.035 -12.618 7.683 1.00 0.00 C ATOM 508 NE ARG A 39 -8.367 -14.010 7.975 1.00 0.00 N ATOM 509 CZ ARG A 39 -7.689 -15.044 7.488 1.00 0.00 C ATOM 510 NH1 ARG A 39 -6.649 -14.844 6.691 1.00 0.00 N ATOM 511 NH2 ARG A 39 -8.052 -16.282 7.800 1.00 0.00 N ATOM 0 H ARG A 39 -7.486 -9.154 8.876 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.706 -9.919 10.397 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.099 -11.298 9.672 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.379 -12.116 10.544 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.843 -12.082 8.710 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.027 -10.732 7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.200 -12.420 6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.976 -12.449 7.877 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.162 -14.199 8.586 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.367 -13.894 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.131 -15.640 6.319 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.851 -16.440 8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.532 -17.076 7.426 1.00 0.00 H new ATOM 525 N THR A 40 -6.891 -9.643 12.101 1.00 0.00 N ATOM 526 CA THR A 40 -6.342 -9.541 13.447 1.00 0.00 C ATOM 527 C THR A 40 -5.549 -8.250 13.620 1.00 0.00 C ATOM 528 O THR A 40 -5.059 -7.674 12.648 1.00 0.00 O ATOM 529 CB THR A 40 -5.430 -10.738 13.774 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.217 -10.652 13.017 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.132 -12.052 13.469 1.00 0.00 C ATOM 0 H THR A 40 -6.210 -9.500 11.356 1.00 0.00 H new ATOM 0 HA THR A 40 -7.188 -9.540 14.135 1.00 0.00 H new ATOM 0 HB THR A 40 -5.196 -10.708 14.838 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.642 -11.416 13.232 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.468 -12.883 13.708 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.039 -12.128 14.069 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.393 -12.088 12.411 1.00 0.00 H new ATOM 539 N THR A 41 -5.425 -7.799 14.865 1.00 0.00 N ATOM 540 CA THR A 41 -4.692 -6.576 15.165 1.00 0.00 C ATOM 541 C THR A 41 -3.382 -6.516 14.388 1.00 0.00 C ATOM 542 O THR A 41 -2.881 -5.434 14.083 1.00 0.00 O ATOM 543 CB THR A 41 -4.389 -6.459 16.671 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.690 -5.237 16.936 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.557 -7.639 17.149 1.00 0.00 C ATOM 0 H THR A 41 -5.823 -8.263 15.681 1.00 0.00 H new ATOM 0 HA THR A 41 -5.328 -5.743 14.864 1.00 0.00 H new ATOM 0 HB THR A 41 -5.336 -6.460 17.211 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.502 -5.169 17.895 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.356 -7.534 18.215 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.104 -8.565 16.972 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.614 -7.665 16.603 1.00 0.00 H new ATOM 553 N GLU A 42 -2.833 -7.684 14.072 1.00 0.00 N ATOM 554 CA GLU A 42 -1.580 -7.762 13.330 1.00 0.00 C ATOM 555 C GLU A 42 -1.762 -7.262 11.899 1.00 0.00 C ATOM 556 O GLU A 42 -0.893 -6.583 11.352 1.00 0.00 O ATOM 557 CB GLU A 42 -1.058 -9.200 13.316 1.00 0.00 C ATOM 558 CG GLU A 42 -1.061 -9.861 14.684 1.00 0.00 C ATOM 559 CD GLU A 42 0.039 -10.895 14.835 1.00 0.00 C ATOM 560 OE1 GLU A 42 1.086 -10.748 14.170 1.00 0.00 O ATOM 561 OE2 GLU A 42 -0.148 -11.851 15.617 1.00 0.00 O ATOM 0 H GLU A 42 -3.235 -8.589 14.318 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.852 -7.123 13.830 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.668 -9.793 12.634 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.042 -9.205 12.921 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.944 -9.097 15.453 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.027 -10.337 14.851 1.00 0.00 H new ATOM 568 N ASP A 43 -2.897 -7.604 11.300 1.00 0.00 N ATOM 569 CA ASP A 43 -3.195 -7.190 9.934 1.00 0.00 C ATOM 570 C ASP A 43 -3.566 -5.711 9.882 1.00 0.00 C ATOM 571 O ASP A 43 -3.919 -5.113 10.899 1.00 0.00 O ATOM 572 CB ASP A 43 -4.334 -8.034 9.360 1.00 0.00 C ATOM 573 CG ASP A 43 -3.858 -9.381 8.852 1.00 0.00 C ATOM 574 OD1 ASP A 43 -2.706 -9.463 8.376 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.637 -10.354 8.932 1.00 0.00 O ATOM 0 H ASP A 43 -3.626 -8.167 11.739 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.300 -7.343 9.331 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.092 -8.186 10.128 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.811 -7.489 8.545 1.00 0.00 H new ATOM 580 N LEU A 44 -3.481 -5.127 8.692 1.00 0.00 N ATOM 581 CA LEU A 44 -3.806 -3.717 8.508 1.00 0.00 C ATOM 582 C LEU A 44 -5.144 -3.556 7.793 1.00 0.00 C ATOM 583 O LEU A 44 -5.395 -4.196 6.773 1.00 0.00 O ATOM 584 CB LEU A 44 -2.703 -3.018 7.712 1.00 0.00 C ATOM 585 CG LEU A 44 -2.489 -1.536 8.019 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.768 -0.851 6.868 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.819 -0.852 8.300 1.00 0.00 C ATOM 0 H LEU A 44 -3.190 -5.608 7.841 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.882 -3.256 9.493 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.765 -3.544 7.890 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.929 -3.119 6.651 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.866 -1.456 8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.624 0.203 7.105 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.798 -1.324 6.714 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.364 -0.941 5.960 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.647 0.202 8.517 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.466 -0.943 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.298 -1.325 9.157 1.00 0.00 H new ATOM 599 N SER A 45 -5.999 -2.694 8.335 1.00 0.00 N ATOM 600 CA SER A 45 -7.312 -2.449 7.750 1.00 0.00 C ATOM 601 C SER A 45 -7.225 -1.411 6.636 1.00 0.00 C ATOM 602 O SER A 45 -6.841 -0.265 6.868 1.00 0.00 O ATOM 603 CB SER A 45 -8.293 -1.979 8.826 1.00 0.00 C ATOM 604 OG SER A 45 -8.575 -3.016 9.748 1.00 0.00 O ATOM 0 H SER A 45 -5.806 -2.154 9.178 1.00 0.00 H new ATOM 0 HA SER A 45 -7.673 -3.385 7.323 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.875 -1.122 9.354 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.218 -1.644 8.357 1.00 0.00 H new ATOM 0 HG SER A 45 -9.203 -2.689 10.426 1.00 0.00 H new ATOM 610 N PHE A 46 -7.586 -1.821 5.424 1.00 0.00 N ATOM 611 CA PHE A 46 -7.548 -0.928 4.272 1.00 0.00 C ATOM 612 C PHE A 46 -8.778 -1.126 3.390 1.00 0.00 C ATOM 613 O PHE A 46 -9.387 -2.196 3.385 1.00 0.00 O ATOM 614 CB PHE A 46 -6.277 -1.168 3.455 1.00 0.00 C ATOM 615 CG PHE A 46 -6.108 -2.594 3.014 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.506 -3.524 3.846 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.552 -3.004 1.767 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.349 -4.836 3.442 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.398 -4.315 1.357 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.796 -5.233 2.196 1.00 0.00 C ATOM 0 H PHE A 46 -7.908 -2.766 5.215 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.547 0.098 4.639 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.293 -0.524 2.576 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.412 -0.875 4.050 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.156 -3.220 4.821 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.024 -2.291 1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.877 -5.551 4.100 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.748 -4.621 0.382 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.675 -6.258 1.879 1.00 0.00 H new ATOM 630 N LYS A 47 -9.138 -0.087 2.645 1.00 0.00 N ATOM 631 CA LYS A 47 -10.293 -0.144 1.758 1.00 0.00 C ATOM 632 C LYS A 47 -9.884 0.121 0.313 1.00 0.00 C ATOM 633 O LYS A 47 -8.760 0.547 0.043 1.00 0.00 O ATOM 634 CB LYS A 47 -11.349 0.874 2.195 1.00 0.00 C ATOM 635 CG LYS A 47 -12.143 0.441 3.415 1.00 0.00 C ATOM 636 CD LYS A 47 -13.101 -0.691 3.083 1.00 0.00 C ATOM 637 CE LYS A 47 -13.822 -1.193 4.325 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.946 -2.108 3.982 1.00 0.00 N ATOM 0 H LYS A 47 -8.645 0.806 2.638 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.716 -1.147 1.819 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.859 1.824 2.409 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.037 1.049 1.368 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.459 0.121 4.201 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.703 1.290 3.806 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.832 -0.348 2.351 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.551 -1.512 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.114 -1.713 4.970 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.205 -0.344 4.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.412 -2.428 4.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.634 -1.604 3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.578 -2.931 3.464 1.00 0.00 H new ATOM 652 N LYS A 48 -10.802 -0.132 -0.614 1.00 0.00 N ATOM 653 CA LYS A 48 -10.538 0.082 -2.032 1.00 0.00 C ATOM 654 C LYS A 48 -10.369 1.567 -2.336 1.00 0.00 C ATOM 655 O LYS A 48 -11.325 2.338 -2.267 1.00 0.00 O ATOM 656 CB LYS A 48 -11.676 -0.496 -2.876 1.00 0.00 C ATOM 657 CG LYS A 48 -11.672 -0.011 -4.316 1.00 0.00 C ATOM 658 CD LYS A 48 -12.733 -0.716 -5.144 1.00 0.00 C ATOM 659 CE LYS A 48 -12.876 -0.084 -6.520 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.730 -0.907 -7.422 1.00 0.00 N ATOM 0 H LYS A 48 -11.736 -0.486 -0.408 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.610 -0.430 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.607 -1.584 -2.868 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.628 -0.233 -2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.846 1.065 -4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.690 -0.184 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.472 -1.769 -5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.689 -0.676 -4.623 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.308 0.912 -6.419 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.890 0.040 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.803 -0.443 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.305 -1.849 -7.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.679 -1.004 -7.008 1.00 0.00 H new ATOM 674 N GLY A 49 -9.145 1.962 -2.673 1.00 0.00 N ATOM 675 CA GLY A 49 -8.873 3.353 -2.984 1.00 0.00 C ATOM 676 C GLY A 49 -8.127 4.061 -1.871 1.00 0.00 C ATOM 677 O GLY A 49 -8.197 5.283 -1.748 1.00 0.00 O ATOM 0 H GLY A 49 -8.337 1.343 -2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.288 3.409 -3.902 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.814 3.870 -3.173 1.00 0.00 H new ATOM 681 N GLU A 50 -7.412 3.290 -1.057 1.00 0.00 N ATOM 682 CA GLU A 50 -6.652 3.852 0.054 1.00 0.00 C ATOM 683 C GLU A 50 -5.156 3.618 -0.137 1.00 0.00 C ATOM 684 O GLU A 50 -4.732 2.531 -0.531 1.00 0.00 O ATOM 685 CB GLU A 50 -7.110 3.237 1.377 1.00 0.00 C ATOM 686 CG GLU A 50 -6.913 4.152 2.574 1.00 0.00 C ATOM 687 CD GLU A 50 -7.486 3.572 3.853 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.624 3.061 3.815 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.794 3.629 4.892 1.00 0.00 O ATOM 0 H GLU A 50 -7.343 2.276 -1.146 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.834 4.926 0.079 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.165 2.975 1.300 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.563 2.309 1.545 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.848 4.341 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.384 5.114 2.373 1.00 0.00 H new ATOM 696 N ARG A 51 -4.361 4.646 0.144 1.00 0.00 N ATOM 697 CA ARG A 51 -2.913 4.554 0.001 1.00 0.00 C ATOM 698 C ARG A 51 -2.264 4.128 1.315 1.00 0.00 C ATOM 699 O ARG A 51 -2.817 4.348 2.393 1.00 0.00 O ATOM 700 CB ARG A 51 -2.338 5.896 -0.453 1.00 0.00 C ATOM 701 CG ARG A 51 -2.701 6.262 -1.883 1.00 0.00 C ATOM 702 CD ARG A 51 -1.663 7.185 -2.503 1.00 0.00 C ATOM 703 NE ARG A 51 -2.191 7.901 -3.661 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.622 8.987 -4.175 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.515 9.478 -3.636 1.00 0.00 N ATOM 706 NH2 ARG A 51 -2.162 9.583 -5.231 1.00 0.00 N ATOM 0 H ARG A 51 -4.696 5.552 0.472 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.694 3.799 -0.754 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.695 6.679 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.252 5.867 -0.359 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.786 5.355 -2.481 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.677 6.747 -1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.324 7.903 -1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.792 6.602 -2.803 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.042 7.549 -4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.097 9.022 -2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.081 10.311 -4.033 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.014 9.208 -5.648 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.725 10.416 -5.625 1.00 0.00 H new ATOM 720 N PHE A 52 -1.088 3.518 1.217 1.00 0.00 N ATOM 721 CA PHE A 52 -0.363 3.060 2.397 1.00 0.00 C ATOM 722 C PHE A 52 1.141 3.043 2.140 1.00 0.00 C ATOM 723 O PHE A 52 1.594 2.602 1.084 1.00 0.00 O ATOM 724 CB PHE A 52 -0.839 1.664 2.804 1.00 0.00 C ATOM 725 CG PHE A 52 -2.329 1.559 2.955 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.132 1.283 1.861 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.928 1.737 4.192 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.504 1.185 1.996 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.299 1.640 4.334 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.088 1.365 3.235 1.00 0.00 C ATOM 0 H PHE A 52 -0.616 3.329 0.333 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.566 3.757 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.506 0.943 2.057 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.366 1.388 3.746 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.680 1.143 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.316 1.954 5.055 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.118 0.968 1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.753 1.779 5.304 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.160 1.291 3.344 1.00 0.00 H new ATOM 740 N GLN A 53 1.907 3.526 3.112 1.00 0.00 N ATOM 741 CA GLN A 53 3.359 3.568 2.990 1.00 0.00 C ATOM 742 C GLN A 53 3.973 2.214 3.333 1.00 0.00 C ATOM 743 O GLN A 53 3.906 1.764 4.477 1.00 0.00 O ATOM 744 CB GLN A 53 3.939 4.650 3.903 1.00 0.00 C ATOM 745 CG GLN A 53 3.899 6.043 3.296 1.00 0.00 C ATOM 746 CD GLN A 53 3.892 7.137 4.345 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.137 7.077 5.316 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.735 8.145 4.155 1.00 0.00 N ATOM 0 H GLN A 53 1.547 3.894 3.993 1.00 0.00 H new ATOM 0 HA GLN A 53 3.604 3.807 1.955 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.386 4.656 4.842 1.00 0.00 H new ATOM 0 HB3 GLN A 53 4.972 4.396 4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.762 6.176 2.644 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.010 6.138 2.672 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.343 8.154 3.336 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.775 8.910 4.828 1.00 0.00 H new ATOM 757 N ILE A 54 4.570 1.571 2.336 1.00 0.00 N ATOM 758 CA ILE A 54 5.196 0.269 2.533 1.00 0.00 C ATOM 759 C ILE A 54 6.435 0.383 3.415 1.00 0.00 C ATOM 760 O ILE A 54 7.459 0.924 2.997 1.00 0.00 O ATOM 761 CB ILE A 54 5.593 -0.374 1.191 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.386 -0.434 0.253 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.163 -1.766 1.419 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.212 -1.198 0.826 1.00 0.00 C ATOM 0 H ILE A 54 4.634 1.930 1.383 1.00 0.00 H new ATOM 0 HA ILE A 54 4.458 -0.364 3.026 1.00 0.00 H new ATOM 0 HB ILE A 54 6.363 0.241 0.724 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.068 0.582 0.018 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.688 -0.899 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.439 -2.208 0.461 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.046 -1.698 2.055 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.413 -2.391 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.393 -1.199 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.513 -2.225 1.035 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.883 -0.721 1.749 1.00 0.00 H new ATOM 776 N ILE A 55 6.335 -0.132 4.636 1.00 0.00 N ATOM 777 CA ILE A 55 7.448 -0.091 5.576 1.00 0.00 C ATOM 778 C ILE A 55 8.383 -1.278 5.373 1.00 0.00 C ATOM 779 O ILE A 55 9.584 -1.108 5.173 1.00 0.00 O ATOM 780 CB ILE A 55 6.953 -0.084 7.034 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.977 1.072 7.260 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.131 0.016 7.993 1.00 0.00 C ATOM 783 CD1 ILE A 55 5.001 0.828 8.390 1.00 0.00 C ATOM 0 H ILE A 55 5.494 -0.583 4.997 1.00 0.00 H new ATOM 0 HA ILE A 55 7.992 0.833 5.381 1.00 0.00 H new ATOM 0 HB ILE A 55 6.429 -1.020 7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.544 1.979 7.470 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.419 1.250 6.341 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.765 0.020 9.020 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.793 -0.838 7.847 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.680 0.938 7.800 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.340 1.689 8.492 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.408 -0.061 8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.550 0.680 9.320 1.00 0.00 H new ATOM 795 N ASN A 56 7.821 -2.482 5.425 1.00 0.00 N ATOM 796 CA ASN A 56 8.605 -3.699 5.245 1.00 0.00 C ATOM 797 C ASN A 56 8.022 -4.561 4.130 1.00 0.00 C ATOM 798 O ASN A 56 6.840 -4.902 4.149 1.00 0.00 O ATOM 799 CB ASN A 56 8.653 -4.496 6.550 1.00 0.00 C ATOM 800 CG ASN A 56 9.913 -5.331 6.672 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.567 -5.637 5.674 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.260 -5.704 7.898 1.00 0.00 N ATOM 0 H ASN A 56 6.827 -2.641 5.590 1.00 0.00 H new ATOM 0 HA ASN A 56 9.618 -3.412 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.592 -3.809 7.394 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.781 -5.148 6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.098 -6.267 8.042 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.688 -5.428 8.696 1.00 0.00 H new ATOM 809 N ASN A 57 8.860 -4.911 3.160 1.00 0.00 N ATOM 810 CA ASN A 57 8.429 -5.735 2.037 1.00 0.00 C ATOM 811 C ASN A 57 9.234 -7.028 1.969 1.00 0.00 C ATOM 812 O ASN A 57 9.702 -7.427 0.902 1.00 0.00 O ATOM 813 CB ASN A 57 8.574 -4.961 0.725 1.00 0.00 C ATOM 814 CG ASN A 57 10.017 -4.609 0.418 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.358 -3.333 0.560 1.00 0.00 O flip ATOM 816 ND2 ASN A 57 10.816 -5.474 0.059 1.00 0.00 N flip ATOM 0 H ASN A 57 9.842 -4.637 3.129 1.00 0.00 H new ATOM 0 HA ASN A 57 7.380 -5.990 2.188 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.166 -5.556 -0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.983 -4.047 0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.510 -6.442 -0.037 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.784 -5.222 -0.143 1.00 0.00 H new ATOM 823 N THR A 58 9.392 -7.682 3.116 1.00 0.00 N ATOM 824 CA THR A 58 10.141 -8.930 3.188 1.00 0.00 C ATOM 825 C THR A 58 9.225 -10.133 2.991 1.00 0.00 C ATOM 826 O THR A 58 9.570 -11.076 2.281 1.00 0.00 O ATOM 827 CB THR A 58 10.872 -9.070 4.537 1.00 0.00 C ATOM 828 OG1 THR A 58 11.455 -10.373 4.645 1.00 0.00 O ATOM 829 CG2 THR A 58 9.915 -8.839 5.697 1.00 0.00 C ATOM 0 H THR A 58 9.011 -7.367 4.008 1.00 0.00 H new ATOM 0 HA THR A 58 10.878 -8.903 2.386 1.00 0.00 H new ATOM 0 HB THR A 58 11.658 -8.316 4.580 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.919 -10.454 5.504 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.453 -8.943 6.639 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.495 -7.836 5.628 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.110 -9.573 5.656 1.00 0.00 H new ATOM 837 N GLU A 59 8.058 -10.092 3.626 1.00 0.00 N ATOM 838 CA GLU A 59 7.093 -11.180 3.520 1.00 0.00 C ATOM 839 C GLU A 59 6.176 -10.978 2.317 1.00 0.00 C ATOM 840 O GLU A 59 5.208 -10.222 2.380 1.00 0.00 O ATOM 841 CB GLU A 59 6.260 -11.279 4.799 1.00 0.00 C ATOM 842 CG GLU A 59 7.066 -11.689 6.020 1.00 0.00 C ATOM 843 CD GLU A 59 6.224 -12.394 7.065 1.00 0.00 C ATOM 844 OE1 GLU A 59 6.066 -13.629 6.965 1.00 0.00 O ATOM 845 OE2 GLU A 59 5.722 -11.712 7.983 1.00 0.00 O ATOM 0 H GLU A 59 7.758 -9.318 4.219 1.00 0.00 H new ATOM 0 HA GLU A 59 7.645 -12.109 3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.790 -10.315 4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.457 -12.000 4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.879 -12.346 5.710 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.523 -10.804 6.463 1.00 0.00 H new ATOM 852 N GLY A 60 6.489 -11.662 1.220 1.00 0.00 N ATOM 853 CA GLY A 60 5.685 -11.544 0.018 1.00 0.00 C ATOM 854 C GLY A 60 4.209 -11.762 0.284 1.00 0.00 C ATOM 855 O GLY A 60 3.357 -11.172 -0.381 1.00 0.00 O ATOM 0 H GLY A 60 7.285 -12.295 1.143 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.830 -10.555 -0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.029 -12.270 -0.718 1.00 0.00 H new ATOM 859 N ASP A 61 3.904 -12.613 1.257 1.00 0.00 N ATOM 860 CA ASP A 61 2.520 -12.909 1.610 1.00 0.00 C ATOM 861 C ASP A 61 1.821 -11.667 2.154 1.00 0.00 C ATOM 862 O ASP A 61 0.742 -11.297 1.692 1.00 0.00 O ATOM 863 CB ASP A 61 2.464 -14.035 2.643 1.00 0.00 C ATOM 864 CG ASP A 61 3.303 -15.232 2.241 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.518 -15.228 2.528 1.00 0.00 O ATOM 866 OD2 ASP A 61 2.744 -16.172 1.637 1.00 0.00 O ATOM 0 H ASP A 61 4.597 -13.111 1.816 1.00 0.00 H new ATOM 0 HA ASP A 61 2.001 -13.230 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.811 -13.659 3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.429 -14.349 2.778 1.00 0.00 H new ATOM 871 N TRP A 62 2.443 -11.029 3.139 1.00 0.00 N ATOM 872 CA TRP A 62 1.880 -9.829 3.748 1.00 0.00 C ATOM 873 C TRP A 62 2.962 -8.782 3.990 1.00 0.00 C ATOM 874 O TRP A 62 4.004 -9.079 4.573 1.00 0.00 O ATOM 875 CB TRP A 62 1.186 -10.178 5.065 1.00 0.00 C ATOM 876 CG TRP A 62 0.078 -11.175 4.907 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.207 -12.512 4.665 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.328 -10.912 4.977 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.034 -13.097 4.581 1.00 0.00 N ATOM 880 CE2 TRP A 62 -1.992 -12.137 4.770 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.091 -9.761 5.198 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.380 -12.241 4.775 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.468 -9.866 5.202 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.102 -11.099 4.993 1.00 0.00 C ATOM 0 H TRP A 62 3.337 -11.322 3.533 1.00 0.00 H new ATOM 0 HA TRP A 62 1.146 -9.412 3.059 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.924 -10.574 5.763 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.785 -9.267 5.508 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.146 -13.034 4.556 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.212 -14.086 4.406 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.612 -8.807 5.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.870 -13.190 4.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.067 -8.983 5.369 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.181 -11.148 5.004 1.00 0.00 H new ATOM 895 N TRP A 63 2.707 -7.559 3.541 1.00 0.00 N ATOM 896 CA TRP A 63 3.660 -6.468 3.710 1.00 0.00 C ATOM 897 C TRP A 63 3.206 -5.514 4.808 1.00 0.00 C ATOM 898 O TRP A 63 2.010 -5.291 4.993 1.00 0.00 O ATOM 899 CB TRP A 63 3.834 -5.707 2.395 1.00 0.00 C ATOM 900 CG TRP A 63 4.492 -6.519 1.321 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.347 -7.570 1.495 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.351 -6.345 -0.093 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.745 -8.060 0.275 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.148 -7.326 -0.716 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.628 -5.457 -0.894 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.240 -7.441 -2.100 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.721 -5.573 -2.268 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.522 -6.559 -2.860 1.00 0.00 C ATOM 0 H TRP A 63 1.848 -7.297 3.057 1.00 0.00 H new ATOM 0 HA TRP A 63 4.618 -6.898 4.002 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.857 -5.376 2.043 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.427 -4.811 2.578 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.664 -7.959 2.452 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.382 -8.843 0.130 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.008 -4.694 -0.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.857 -8.200 -2.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.167 -4.892 -2.897 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.573 -6.624 -3.937 1.00 0.00 H new ATOM 919 N GLU A 64 4.168 -4.952 5.534 1.00 0.00 N ATOM 920 CA GLU A 64 3.864 -4.021 6.614 1.00 0.00 C ATOM 921 C GLU A 64 3.876 -2.581 6.111 1.00 0.00 C ATOM 922 O GLU A 64 4.904 -2.079 5.658 1.00 0.00 O ATOM 923 CB GLU A 64 4.871 -4.183 7.755 1.00 0.00 C ATOM 924 CG GLU A 64 4.629 -3.238 8.919 1.00 0.00 C ATOM 925 CD GLU A 64 5.594 -3.466 10.067 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.376 -4.437 10.000 1.00 0.00 O ATOM 927 OE2 GLU A 64 5.567 -2.672 11.031 1.00 0.00 O ATOM 0 H GLU A 64 5.163 -5.125 5.394 1.00 0.00 H new ATOM 0 HA GLU A 64 2.865 -4.249 6.985 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.834 -5.210 8.118 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.876 -4.018 7.367 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.720 -2.209 8.572 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.607 -3.364 9.278 1.00 0.00 H new ATOM 934 N ALA A 65 2.725 -1.922 6.194 1.00 0.00 N ATOM 935 CA ALA A 65 2.602 -0.539 5.749 1.00 0.00 C ATOM 936 C ALA A 65 1.868 0.307 6.783 1.00 0.00 C ATOM 937 O ALA A 65 1.196 -0.222 7.668 1.00 0.00 O ATOM 938 CB ALA A 65 1.884 -0.478 4.408 1.00 0.00 C ATOM 0 H ALA A 65 1.864 -2.324 6.565 1.00 0.00 H new ATOM 0 HA ALA A 65 3.606 -0.131 5.630 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.799 0.560 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.450 -1.041 3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.888 -0.909 4.509 1.00 0.00 H new ATOM 944 N ARG A 66 2.002 1.624 6.665 1.00 0.00 N ATOM 945 CA ARG A 66 1.353 2.544 7.592 1.00 0.00 C ATOM 946 C ARG A 66 0.436 3.509 6.846 1.00 0.00 C ATOM 947 O ARG A 66 0.901 4.435 6.181 1.00 0.00 O ATOM 948 CB ARG A 66 2.401 3.328 8.384 1.00 0.00 C ATOM 949 CG ARG A 66 1.804 4.337 9.352 1.00 0.00 C ATOM 950 CD ARG A 66 2.798 5.435 9.695 1.00 0.00 C ATOM 951 NE ARG A 66 3.383 6.037 8.501 1.00 0.00 N ATOM 952 CZ ARG A 66 4.362 6.934 8.534 1.00 0.00 C ATOM 953 NH1 ARG A 66 4.863 7.331 9.696 1.00 0.00 N ATOM 954 NH2 ARG A 66 4.843 7.437 7.404 1.00 0.00 N ATOM 0 H ARG A 66 2.554 2.078 5.937 1.00 0.00 H new ATOM 0 HA ARG A 66 0.749 1.957 8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.023 2.627 8.941 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.056 3.850 7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.909 4.779 8.913 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.493 3.828 10.264 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.298 6.206 10.282 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.591 5.024 10.319 1.00 0.00 H new ATOM 0 HE ARG A 66 3.020 5.753 7.591 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.497 6.947 10.567 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.615 8.020 9.719 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.461 7.135 6.508 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.595 8.126 7.432 1.00 0.00 H new ATOM 968 N SER A 67 -0.869 3.286 6.962 1.00 0.00 N ATOM 969 CA SER A 67 -1.852 4.133 6.296 1.00 0.00 C ATOM 970 C SER A 67 -1.497 5.608 6.459 1.00 0.00 C ATOM 971 O SER A 67 -1.125 6.052 7.545 1.00 0.00 O ATOM 972 CB SER A 67 -3.250 3.869 6.859 1.00 0.00 C ATOM 973 OG SER A 67 -3.480 2.480 7.020 1.00 0.00 O ATOM 0 H SER A 67 -1.270 2.526 7.511 1.00 0.00 H new ATOM 0 HA SER A 67 -1.844 3.890 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.360 4.373 7.819 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.001 4.290 6.190 1.00 0.00 H new ATOM 0 HG SER A 67 -3.377 2.029 6.156 1.00 0.00 H new ATOM 979 N ILE A 68 -1.614 6.362 5.370 1.00 0.00 N ATOM 980 CA ILE A 68 -1.307 7.786 5.392 1.00 0.00 C ATOM 981 C ILE A 68 -2.533 8.608 5.775 1.00 0.00 C ATOM 982 O ILE A 68 -2.441 9.550 6.560 1.00 0.00 O ATOM 983 CB ILE A 68 -0.785 8.270 4.026 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.218 7.266 3.454 1.00 0.00 C ATOM 985 CG2 ILE A 68 -0.149 9.646 4.159 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.459 7.432 1.970 1.00 0.00 C ATOM 0 H ILE A 68 -1.919 6.010 4.463 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.529 7.929 6.142 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.627 8.346 3.338 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.166 7.371 3.982 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.143 6.255 3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.215 9.974 3.185 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.890 10.355 4.527 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.684 9.595 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.180 6.688 1.633 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.479 7.298 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.850 8.430 1.774 1.00 0.00 H new ATOM 998 N ALA A 69 -3.682 8.242 5.215 1.00 0.00 N ATOM 999 CA ALA A 69 -4.928 8.942 5.501 1.00 0.00 C ATOM 1000 C ALA A 69 -5.298 8.826 6.976 1.00 0.00 C ATOM 1001 O ALA A 69 -5.332 9.822 7.699 1.00 0.00 O ATOM 1002 CB ALA A 69 -6.051 8.399 4.629 1.00 0.00 C ATOM 0 H ALA A 69 -3.775 7.465 4.561 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.783 9.998 5.272 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.976 8.931 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.797 8.540 3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.186 7.336 4.830 1.00 0.00 H new ATOM 1008 N THR A 70 -5.574 7.602 7.417 1.00 0.00 N ATOM 1009 CA THR A 70 -5.943 7.356 8.805 1.00 0.00 C ATOM 1010 C THR A 70 -4.723 7.418 9.718 1.00 0.00 C ATOM 1011 O THR A 70 -4.686 8.197 10.670 1.00 0.00 O ATOM 1012 CB THR A 70 -6.624 5.985 8.971 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.706 4.938 8.637 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.859 5.884 8.088 1.00 0.00 C ATOM 0 H THR A 70 -5.549 6.766 6.833 1.00 0.00 H new ATOM 0 HA THR A 70 -6.646 8.139 9.088 1.00 0.00 H new ATOM 0 HB THR A 70 -6.931 5.880 10.012 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.201 4.170 8.283 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.323 4.907 8.222 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.569 6.664 8.364 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.571 6.009 7.044 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.724 6.592 9.420 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.516 6.570 10.223 1.00 0.00 C ATOM 1024 C GLY A 71 -2.320 5.249 10.939 1.00 0.00 C ATOM 1025 O GLY A 71 -1.526 5.153 11.876 1.00 0.00 O ATOM 0 H GLY A 71 -3.730 5.938 8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.655 6.764 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.556 7.375 10.957 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.046 4.226 10.501 1.00 0.00 N ATOM 1030 CA LYS A 72 -2.950 2.903 11.106 1.00 0.00 C ATOM 1031 C LYS A 72 -1.702 2.173 10.622 1.00 0.00 C ATOM 1032 O LYS A 72 -0.963 2.679 9.777 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.196 2.078 10.778 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.498 2.768 11.148 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.655 1.785 11.200 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.972 2.455 10.838 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.512 3.262 11.967 1.00 0.00 N ATOM 0 H LYS A 72 -3.708 4.288 9.728 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.880 3.029 12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.203 1.855 9.711 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.138 1.124 11.303 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.390 3.256 12.117 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.716 3.550 10.420 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.464 0.960 10.513 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.726 1.357 12.200 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.826 3.097 9.970 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.700 1.695 10.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.410 3.702 11.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.675 2.645 12.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.829 4.003 12.222 1.00 0.00 H new ATOM 1051 N SER A 73 -1.473 0.980 11.161 1.00 0.00 N ATOM 1052 CA SER A 73 -0.313 0.181 10.785 1.00 0.00 C ATOM 1053 C SER A 73 -0.578 -1.304 11.015 1.00 0.00 C ATOM 1054 O SER A 73 -1.206 -1.689 12.000 1.00 0.00 O ATOM 1055 CB SER A 73 0.916 0.621 11.584 1.00 0.00 C ATOM 1056 OG SER A 73 0.648 0.619 12.975 1.00 0.00 O ATOM 0 H SER A 73 -2.076 0.545 11.860 1.00 0.00 H new ATOM 0 HA SER A 73 -0.123 0.338 9.723 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.751 -0.047 11.370 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.219 1.620 11.270 1.00 0.00 H new ATOM 0 HG SER A 73 1.449 0.902 13.463 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.093 -2.135 10.097 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.287 -3.568 10.216 1.00 0.00 C ATOM 1064 C GLY A 74 0.327 -4.334 9.062 1.00 0.00 C ATOM 1065 O GLY A 74 1.445 -4.042 8.638 1.00 0.00 O ATOM 0 H GLY A 74 0.431 -1.841 9.273 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.151 -3.914 11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.354 -3.784 10.265 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.405 -5.319 8.552 1.00 0.00 N ATOM 1070 CA TYR A 75 0.077 -6.133 7.443 1.00 0.00 C ATOM 1071 C TYR A 75 -0.994 -6.271 6.364 1.00 0.00 C ATOM 1072 O TYR A 75 -2.087 -6.777 6.620 1.00 0.00 O ATOM 1073 CB TYR A 75 0.495 -7.517 7.942 1.00 0.00 C ATOM 1074 CG TYR A 75 1.495 -7.475 9.075 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.566 -6.590 9.051 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.369 -8.321 10.171 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.482 -6.549 10.084 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.279 -8.285 11.209 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.334 -7.397 11.161 1.00 0.00 C ATOM 1080 OH TYR A 75 4.244 -7.360 12.193 1.00 0.00 O ATOM 0 H TYR A 75 -1.334 -5.572 8.889 1.00 0.00 H new ATOM 0 HA TYR A 75 0.944 -5.634 7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.392 -8.059 8.271 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.922 -8.080 7.112 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.684 -5.923 8.210 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.545 -9.018 10.211 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.310 -5.856 10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.166 -8.948 12.054 1.00 0.00 H new ATOM 0 HH TYR A 75 3.994 -8.020 12.873 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.670 -5.819 5.158 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.602 -5.893 4.039 1.00 0.00 C ATOM 1092 C ILE A 76 -1.107 -6.867 2.975 1.00 0.00 C ATOM 1093 O ILE A 76 0.084 -6.944 2.675 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.819 -4.512 3.394 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.476 -3.884 3.017 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.588 -3.601 4.339 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.606 -2.657 2.142 1.00 0.00 C ATOM 0 H ILE A 76 0.230 -5.398 4.930 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.550 -6.249 4.441 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.407 -4.641 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.059 -3.615 3.928 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.130 -4.627 2.499 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.733 -2.628 3.869 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.558 -4.045 4.563 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.024 -3.476 5.263 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.386 -2.265 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.112 -2.924 1.214 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.185 -1.896 2.666 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.043 -7.627 2.387 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.726 -8.607 1.345 1.00 0.00 C ATOM 1111 C PRO A 77 -1.302 -7.947 0.037 1.00 0.00 C ATOM 1112 O PRO A 77 -2.033 -7.131 -0.523 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.043 -9.365 1.158 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.097 -8.405 1.593 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.483 -7.587 2.695 1.00 0.00 C ATOM 0 HA PRO A 77 -0.888 -9.244 1.627 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.184 -9.664 0.119 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.065 -10.275 1.757 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.412 -7.770 0.765 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.983 -8.932 1.946 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.865 -6.566 2.699 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.696 -8.011 3.677 1.00 0.00 H new ATOM 1123 N SER A 78 -0.116 -8.307 -0.444 1.00 0.00 N ATOM 1124 CA SER A 78 0.407 -7.746 -1.684 1.00 0.00 C ATOM 1125 C SER A 78 -0.385 -8.253 -2.886 1.00 0.00 C ATOM 1126 O SER A 78 -0.120 -7.869 -4.024 1.00 0.00 O ATOM 1127 CB SER A 78 1.886 -8.103 -1.846 1.00 0.00 C ATOM 1128 OG SER A 78 2.043 -9.451 -2.255 1.00 0.00 O ATOM 0 H SER A 78 0.500 -8.984 0.006 1.00 0.00 H new ATOM 0 HA SER A 78 0.306 -6.662 -1.635 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.345 -7.441 -2.580 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.408 -7.943 -0.902 1.00 0.00 H new ATOM 0 HG SER A 78 2.502 -9.955 -1.551 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.359 -9.118 -2.623 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.190 -9.678 -3.682 1.00 0.00 C ATOM 1136 C ASN A 79 -3.445 -8.837 -3.891 1.00 0.00 C ATOM 1137 O ASN A 79 -4.258 -9.124 -4.770 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.579 -11.119 -3.345 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.375 -11.982 -3.021 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.459 -12.120 -3.833 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.370 -12.569 -1.829 1.00 0.00 N ATOM 0 H ASN A 79 -1.592 -9.446 -1.686 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.611 -9.671 -4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.262 -11.119 -2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.118 -11.553 -4.187 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.586 -13.162 -1.556 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.150 -12.427 -1.187 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.596 -7.797 -3.078 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.752 -6.914 -3.173 1.00 0.00 C ATOM 1150 C TYR A 80 -4.323 -5.487 -3.499 1.00 0.00 C ATOM 1151 O TYR A 80 -5.029 -4.758 -4.196 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.544 -6.934 -1.864 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.603 -8.012 -1.813 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.353 -9.284 -2.314 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.853 -7.759 -1.263 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.318 -10.271 -2.270 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.824 -8.741 -1.213 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.551 -9.995 -1.719 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.515 -10.977 -1.672 1.00 0.00 O ATOM 0 H TYR A 80 -2.932 -7.545 -2.346 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.388 -7.276 -3.981 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.853 -7.076 -1.033 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.019 -5.963 -1.722 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.388 -9.504 -2.745 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.070 -6.778 -0.868 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.108 -11.254 -2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.790 -8.528 -0.781 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.325 -10.620 -1.252 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.160 -5.095 -2.989 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.634 -3.756 -3.227 1.00 0.00 C ATOM 1171 C VAL A 81 -1.529 -3.777 -4.277 1.00 0.00 C ATOM 1172 O VAL A 81 -0.787 -4.753 -4.394 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.083 -3.131 -1.931 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.205 -2.896 -0.932 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -1.001 -4.017 -1.332 1.00 0.00 C ATOM 0 H VAL A 81 -2.564 -5.685 -2.409 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.464 -3.150 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.638 -2.166 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.796 -2.454 -0.023 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.942 -2.219 -1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.682 -3.846 -0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.622 -3.561 -0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.419 -4.997 -1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.185 -4.128 -2.046 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.426 -2.695 -5.042 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.410 -2.588 -6.083 1.00 0.00 C ATOM 1187 C VAL A 82 0.233 -1.206 -6.083 1.00 0.00 C ATOM 1188 O VAL A 82 -0.370 -0.213 -5.676 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.004 -2.867 -7.476 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.038 -3.980 -7.404 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.612 -1.600 -8.059 1.00 0.00 C ATOM 0 H VAL A 82 -2.034 -1.880 -4.961 1.00 0.00 H new ATOM 0 HA VAL A 82 0.350 -3.338 -5.863 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.200 -3.194 -8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.446 -4.162 -8.398 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.567 -4.890 -7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.843 -3.686 -6.730 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.027 -1.815 -9.044 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.404 -1.241 -7.402 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.841 -0.835 -8.150 1.00 0.00 H new ATOM 1201 N PRO A 83 1.488 -1.138 -6.552 1.00 0.00 N ATOM 1202 CA PRO A 83 2.241 0.118 -6.618 1.00 0.00 C ATOM 1203 C PRO A 83 1.691 1.069 -7.675 1.00 0.00 C ATOM 1204 O PRO A 83 1.428 0.668 -8.808 1.00 0.00 O ATOM 1205 CB PRO A 83 3.655 -0.335 -6.991 1.00 0.00 C ATOM 1206 CG PRO A 83 3.463 -1.633 -7.697 1.00 0.00 C ATOM 1207 CD PRO A 83 2.268 -2.282 -7.053 1.00 0.00 C ATOM 0 HA PRO A 83 2.189 0.673 -5.681 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.148 0.395 -7.632 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.279 -0.455 -6.105 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.295 -1.477 -8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.347 -2.263 -7.603 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.698 -2.875 -7.769 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.561 -2.953 -6.246 1.00 0.00 H new ATOM 1215 N ALA A 84 1.519 2.331 -7.297 1.00 0.00 N ATOM 1216 CA ALA A 84 1.002 3.340 -8.213 1.00 0.00 C ATOM 1217 C ALA A 84 1.939 3.535 -9.400 1.00 0.00 C ATOM 1218 O ALA A 84 1.617 4.255 -10.346 1.00 0.00 O ATOM 1219 CB ALA A 84 0.791 4.658 -7.483 1.00 0.00 C ATOM 0 H ALA A 84 1.730 2.679 -6.362 1.00 0.00 H new ATOM 0 HA ALA A 84 0.042 2.991 -8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.405 5.402 -8.180 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.077 4.515 -6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.740 5.003 -7.073 1.00 0.00 H new ATOM 1225 N ASP A 85 3.099 2.890 -9.344 1.00 0.00 N ATOM 1226 CA ASP A 85 4.083 2.992 -10.416 1.00 0.00 C ATOM 1227 C ASP A 85 3.937 1.836 -11.400 1.00 0.00 C ATOM 1228 O ASP A 85 4.023 2.026 -12.613 1.00 0.00 O ATOM 1229 CB ASP A 85 5.499 3.010 -9.837 1.00 0.00 C ATOM 1230 CG ASP A 85 6.565 2.976 -10.914 1.00 0.00 C ATOM 1231 OD1 ASP A 85 6.285 3.435 -12.040 1.00 0.00 O ATOM 1232 OD2 ASP A 85 7.680 2.489 -10.630 1.00 0.00 O ATOM 0 H ASP A 85 3.381 2.291 -8.568 1.00 0.00 H new ATOM 0 HA ASP A 85 3.906 3.925 -10.951 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.629 3.906 -9.230 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.628 2.154 -9.175 1.00 0.00 H new ATOM 1237 N SER A 86 3.717 0.638 -10.869 1.00 0.00 N ATOM 1238 CA SER A 86 3.564 -0.550 -11.701 1.00 0.00 C ATOM 1239 C SER A 86 2.119 -1.039 -11.689 1.00 0.00 C ATOM 1240 O SER A 86 1.851 -2.223 -11.898 1.00 0.00 O ATOM 1241 CB SER A 86 4.495 -1.663 -11.214 1.00 0.00 C ATOM 1242 OG SER A 86 5.742 -1.614 -11.885 1.00 0.00 O ATOM 0 H SER A 86 3.641 0.464 -9.867 1.00 0.00 H new ATOM 0 HA SER A 86 3.831 -0.284 -12.724 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.652 -1.566 -10.140 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.026 -2.633 -11.381 1.00 0.00 H new ATOM 0 HG SER A 86 6.319 -2.334 -11.555 1.00 0.00 H new ATOM 1248 N ILE A 87 1.192 -0.120 -11.442 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.226 -0.457 -11.403 1.00 0.00 C ATOM 1250 C ILE A 87 -0.569 -1.512 -12.449 1.00 0.00 C ATOM 1251 O ILE A 87 -0.669 -1.211 -13.638 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.106 0.786 -11.636 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.430 2.032 -11.060 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.480 0.586 -11.013 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.395 3.157 -10.757 1.00 0.00 C ATOM 0 H ILE A 87 1.397 0.864 -11.266 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.429 -0.855 -10.409 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.232 0.928 -12.709 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.097 1.760 -10.145 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.320 2.388 -11.766 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.090 1.472 -11.186 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.962 -0.280 -11.466 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.373 0.423 -9.941 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.847 4.007 -10.352 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.904 3.456 -11.673 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.131 2.819 -10.027 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.750 -2.749 -11.997 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.084 -3.848 -12.894 1.00 0.00 C ATOM 1269 C GLN A 88 -2.558 -3.807 -13.281 1.00 0.00 C ATOM 1270 O GLN A 88 -2.957 -4.363 -14.304 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.754 -5.189 -12.235 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.485 -5.418 -10.922 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.818 -6.471 -10.059 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -0.339 -6.179 -8.963 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -0.783 -7.704 -10.549 1.00 0.00 N ATOM 0 H GLN A 88 -0.671 -3.015 -11.015 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.487 -3.739 -13.800 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.003 -5.995 -12.925 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.320 -5.242 -12.057 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.535 -4.480 -10.370 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.511 -5.721 -11.130 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.192 -7.902 -11.462 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.347 -8.454 -10.012 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.363 -3.146 -12.456 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.793 -3.031 -12.713 1.00 0.00 C ATOM 1286 C ALA A 89 -5.206 -1.572 -12.880 1.00 0.00 C ATOM 1287 O ALA A 89 -6.350 -1.208 -12.614 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.586 -3.680 -11.587 1.00 0.00 C ATOM 0 H ALA A 89 -3.049 -2.682 -11.604 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.012 -3.552 -13.645 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.652 -3.587 -11.792 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.321 -4.735 -11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.353 -3.184 -10.645 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.265 -0.743 -13.321 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.532 0.676 -13.521 1.00 0.00 C ATOM 1296 C GLU A 90 -5.958 0.897 -14.017 1.00 0.00 C ATOM 1297 O GLU A 90 -6.572 1.926 -13.735 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.536 1.269 -14.520 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.200 0.337 -15.672 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.792 0.539 -16.195 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -0.848 0.526 -15.377 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.633 0.711 -17.422 1.00 0.00 O ATOM 0 H GLU A 90 -3.312 -1.029 -13.546 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.417 1.180 -12.561 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.946 2.196 -14.921 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.617 1.528 -13.994 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.317 -0.696 -15.344 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.911 0.497 -16.483 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.478 -0.076 -14.758 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.831 0.012 -15.294 1.00 0.00 C ATOM 1311 C GLU A 91 -8.771 0.677 -14.292 1.00 0.00 C ATOM 1312 O GLU A 91 -9.720 1.362 -14.675 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.354 -1.380 -15.654 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.638 -2.012 -16.836 1.00 0.00 C ATOM 1315 CD GLU A 91 -8.431 -3.144 -17.461 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -9.372 -2.856 -18.229 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.109 -4.318 -17.181 1.00 0.00 O ATOM 0 H GLU A 91 -5.983 -0.934 -15.001 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.797 0.623 -16.196 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.252 -2.033 -14.787 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.418 -1.312 -15.879 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.446 -1.249 -17.590 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.669 -2.389 -16.510 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.501 0.469 -13.009 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.322 1.047 -11.951 1.00 0.00 C ATOM 1326 C TRP A 92 -9.268 2.570 -11.991 1.00 0.00 C ATOM 1327 O TRP A 92 -10.297 3.240 -11.900 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.858 0.543 -10.584 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.487 1.019 -10.210 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.334 0.287 -10.222 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.127 2.332 -9.766 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.278 1.066 -9.812 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.738 2.325 -9.528 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.841 3.513 -9.549 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.054 3.453 -9.083 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.161 4.631 -9.107 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.779 4.595 -8.879 1.00 0.00 C ATOM 0 H TRP A 92 -7.720 -0.096 -12.676 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.353 0.735 -12.114 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.568 0.869 -9.824 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.869 -0.547 -10.584 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.262 -0.751 -10.511 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.309 0.757 -9.732 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.906 3.551 -9.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.989 3.427 -8.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.704 5.549 -8.934 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.276 5.487 -8.535 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.062 3.111 -12.128 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.874 4.556 -12.178 1.00 0.00 C ATOM 1350 C TYR A 93 -8.179 5.098 -13.571 1.00 0.00 C ATOM 1351 O TYR A 93 -8.638 6.230 -13.723 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.443 4.919 -11.779 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.503 5.056 -12.955 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.690 6.050 -13.907 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.427 4.191 -13.114 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.834 6.178 -14.984 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.565 4.312 -14.187 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.773 5.307 -15.120 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.918 5.432 -16.190 1.00 0.00 O ATOM 0 H TYR A 93 -7.200 2.571 -12.206 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.568 5.012 -11.471 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.456 5.857 -11.224 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.058 4.155 -11.104 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.519 6.735 -13.804 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.262 3.410 -12.386 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.995 6.956 -15.716 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.733 3.632 -14.295 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.355 5.093 -16.999 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.922 4.280 -14.586 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.168 4.675 -15.968 1.00 0.00 C ATOM 1371 C PHE A 94 -9.647 4.977 -16.192 1.00 0.00 C ATOM 1372 O PHE A 94 -10.003 6.028 -16.722 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.710 3.573 -16.925 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.286 3.726 -17.378 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.943 4.685 -18.317 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.290 2.910 -16.865 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.634 4.828 -18.736 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -3.979 3.049 -17.280 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.651 4.008 -18.217 1.00 0.00 C ATOM 0 H PHE A 94 -7.543 3.339 -14.478 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.596 5.581 -16.168 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.825 2.606 -16.435 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.362 3.567 -17.798 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.708 5.328 -18.726 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.541 2.157 -16.133 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.380 5.580 -19.468 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.212 2.408 -16.872 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.627 4.117 -18.544 1.00 0.00 H new