USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=17 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 31:sc= 0.232 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 165:sc= -0.174 USER MOD Single : A 40 THR OG1 : rot -58:sc= 0.584 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -124:sc= 0.0138 (180deg=-0.308) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.916! C(o=-0.92!,f=-6.6!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-3.4!) USER MOD Single : A 57 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.5!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -61:sc= 1.3! USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.618 USER MOD Single : A 72 LYS NZ :NH3+ 156:sc= -0.319 (180deg=-1.26) 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 -113:sc= 0.346 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= -0.0804 X(o=-0.08,f=-0.0021) USER MOD Single : A 93 TYR OH : rot -84:sc= 0.0972! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.745 2.776 -0.883 1.00 0.00 N ATOM 325 CA THR A 28 7.047 2.724 -2.161 1.00 0.00 C ATOM 326 C THR A 28 5.548 2.935 -1.978 1.00 0.00 C ATOM 327 O THR A 28 4.939 2.370 -1.068 1.00 0.00 O ATOM 328 CB THR A 28 7.281 1.379 -2.874 1.00 0.00 C ATOM 329 OG1 THR A 28 8.674 1.050 -2.854 1.00 0.00 O ATOM 330 CG2 THR A 28 6.789 1.436 -4.313 1.00 0.00 C ATOM 0 HA THR A 28 7.452 3.528 -2.775 1.00 0.00 H new ATOM 0 HB THR A 28 6.719 0.610 -2.345 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.086 1.420 -2.045 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.965 0.475 -4.796 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.722 1.658 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.327 2.216 -4.851 1.00 0.00 H new ATOM 338 N ILE A 29 4.959 3.749 -2.847 1.00 0.00 N ATOM 339 CA ILE A 29 3.531 4.032 -2.781 1.00 0.00 C ATOM 340 C ILE A 29 2.713 2.864 -3.321 1.00 0.00 C ATOM 341 O ILE A 29 3.042 2.290 -4.360 1.00 0.00 O ATOM 342 CB ILE A 29 3.172 5.304 -3.571 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.565 6.552 -2.777 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.686 5.324 -3.897 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.906 6.636 -1.418 1.00 0.00 C ATOM 0 H ILE A 29 5.449 4.224 -3.605 1.00 0.00 H new ATOM 0 HA ILE A 29 3.289 4.187 -1.730 1.00 0.00 H new ATOM 0 HB ILE A 29 3.730 5.301 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.647 6.565 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.302 7.438 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.448 6.229 -4.455 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.433 4.450 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.110 5.307 -2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.230 7.545 -0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.823 6.655 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.189 5.768 -0.822 1.00 0.00 H new ATOM 357 N PHE A 30 1.645 2.517 -2.611 1.00 0.00 N ATOM 358 CA PHE A 30 0.779 1.418 -3.019 1.00 0.00 C ATOM 359 C PHE A 30 -0.690 1.777 -2.816 1.00 0.00 C ATOM 360 O PHE A 30 -1.046 2.462 -1.856 1.00 0.00 O ATOM 361 CB PHE A 30 1.120 0.152 -2.230 1.00 0.00 C ATOM 362 CG PHE A 30 2.215 -0.666 -2.853 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.522 -0.209 -2.857 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.936 -1.893 -3.435 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.532 -0.959 -3.430 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.941 -2.648 -4.009 1.00 0.00 C ATOM 367 CZ PHE A 30 4.241 -2.181 -4.006 1.00 0.00 C ATOM 0 H PHE A 30 1.358 2.982 -1.749 1.00 0.00 H new ATOM 0 HA PHE A 30 0.946 1.233 -4.080 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.417 0.432 -1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.224 -0.463 -2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.755 0.745 -2.407 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.921 -2.263 -3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.547 -0.590 -3.428 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.710 -3.602 -4.459 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.028 -2.770 -4.453 1.00 0.00 H new ATOM 377 N VAL A 31 -1.539 1.312 -3.726 1.00 0.00 N ATOM 378 CA VAL A 31 -2.969 1.583 -3.647 1.00 0.00 C ATOM 379 C VAL A 31 -3.767 0.291 -3.513 1.00 0.00 C ATOM 380 O VAL A 31 -3.379 -0.748 -4.044 1.00 0.00 O ATOM 381 CB VAL A 31 -3.464 2.352 -4.887 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.957 2.140 -5.087 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.140 3.833 -4.759 1.00 0.00 C ATOM 0 H VAL A 31 -1.261 0.745 -4.527 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.126 2.197 -2.760 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.946 1.964 -5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.288 2.691 -5.967 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.158 1.078 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.496 2.499 -4.210 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.497 4.361 -5.643 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.629 4.237 -3.873 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.062 3.963 -4.669 1.00 0.00 H new ATOM 393 N ALA A 32 -4.885 0.365 -2.798 1.00 0.00 N ATOM 394 CA ALA A 32 -5.740 -0.798 -2.595 1.00 0.00 C ATOM 395 C ALA A 32 -6.804 -0.895 -3.684 1.00 0.00 C ATOM 396 O ALA A 32 -7.715 -0.068 -3.751 1.00 0.00 O ATOM 397 CB ALA A 32 -6.392 -0.742 -1.221 1.00 0.00 C ATOM 0 H ALA A 32 -5.220 1.218 -2.350 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.116 -1.690 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.027 -1.617 -1.084 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.620 -0.730 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.997 0.161 -1.142 1.00 0.00 H new ATOM 403 N LEU A 33 -6.683 -1.907 -4.535 1.00 0.00 N ATOM 404 CA LEU A 33 -7.634 -2.111 -5.622 1.00 0.00 C ATOM 405 C LEU A 33 -8.936 -2.711 -5.101 1.00 0.00 C ATOM 406 O LEU A 33 -10.016 -2.417 -5.614 1.00 0.00 O ATOM 407 CB LEU A 33 -7.030 -3.024 -6.690 1.00 0.00 C ATOM 408 CG LEU A 33 -5.547 -2.810 -6.996 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.049 -3.854 -7.983 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.310 -1.407 -7.535 1.00 0.00 C ATOM 0 H LEU A 33 -5.935 -2.600 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.855 -1.140 -6.065 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.170 -4.058 -6.376 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.594 -2.892 -7.614 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.985 -2.920 -6.068 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.992 -3.685 -8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.182 -4.849 -7.558 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.616 -3.777 -8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.249 -1.273 -7.747 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.884 -1.268 -8.451 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.627 -0.674 -6.793 1.00 0.00 H new ATOM 422 N TYR A 34 -8.826 -3.551 -4.078 1.00 0.00 N ATOM 423 CA TYR A 34 -9.994 -4.193 -3.487 1.00 0.00 C ATOM 424 C TYR A 34 -10.153 -3.793 -2.023 1.00 0.00 C ATOM 425 O TYR A 34 -9.182 -3.433 -1.357 1.00 0.00 O ATOM 426 CB TYR A 34 -9.880 -5.714 -3.603 1.00 0.00 C ATOM 427 CG TYR A 34 -9.125 -6.172 -4.830 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.754 -6.258 -6.066 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.782 -6.521 -4.753 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.069 -6.677 -7.189 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.088 -6.940 -5.872 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.736 -7.017 -7.087 1.00 0.00 C ATOM 433 OH TYR A 34 -7.048 -7.435 -8.203 1.00 0.00 O ATOM 0 H TYR A 34 -7.940 -3.803 -3.641 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.876 -3.859 -4.034 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.382 -6.102 -2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.881 -6.145 -3.621 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.797 -5.992 -6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.272 -6.464 -3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.574 -6.738 -8.142 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.044 -7.206 -5.796 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.120 -7.635 -7.959 1.00 0.00 H new ATOM 443 N ASP A 35 -11.384 -3.861 -1.529 1.00 0.00 N ATOM 444 CA ASP A 35 -11.672 -3.509 -0.143 1.00 0.00 C ATOM 445 C ASP A 35 -11.448 -4.703 0.779 1.00 0.00 C ATOM 446 O ASP A 35 -12.041 -5.766 0.590 1.00 0.00 O ATOM 447 CB ASP A 35 -13.111 -3.008 -0.010 1.00 0.00 C ATOM 448 CG ASP A 35 -14.107 -3.919 -0.701 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.291 -5.062 -0.232 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.703 -3.488 -1.710 1.00 0.00 O ATOM 0 H ASP A 35 -12.199 -4.157 -2.067 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.990 -2.712 0.153 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.369 -2.927 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.185 -2.006 -0.433 1.00 0.00 H new ATOM 455 N TYR A 36 -10.589 -4.522 1.776 1.00 0.00 N ATOM 456 CA TYR A 36 -10.285 -5.586 2.725 1.00 0.00 C ATOM 457 C TYR A 36 -10.586 -5.144 4.154 1.00 0.00 C ATOM 458 O TYR A 36 -10.816 -3.963 4.414 1.00 0.00 O ATOM 459 CB TYR A 36 -8.817 -5.999 2.606 1.00 0.00 C ATOM 460 CG TYR A 36 -8.378 -6.986 3.665 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.653 -8.342 3.536 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.689 -6.562 4.795 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.254 -9.246 4.501 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.285 -7.459 5.764 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.571 -8.800 5.613 1.00 0.00 C ATOM 466 OH TYR A 36 -7.171 -9.697 6.577 1.00 0.00 O ATOM 0 H TYR A 36 -10.091 -3.649 1.948 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.917 -6.442 2.488 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.650 -6.437 1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.191 -5.109 2.669 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.188 -8.695 2.667 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.466 -5.512 4.917 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.476 -10.297 4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.748 -7.113 6.635 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.507 -9.275 7.161 1.00 0.00 H new ATOM 476 N GLU A 37 -10.581 -6.101 5.076 1.00 0.00 N ATOM 477 CA GLU A 37 -10.853 -5.811 6.479 1.00 0.00 C ATOM 478 C GLU A 37 -9.854 -6.523 7.386 1.00 0.00 C ATOM 479 O GLU A 37 -9.737 -7.748 7.357 1.00 0.00 O ATOM 480 CB GLU A 37 -12.279 -6.231 6.842 1.00 0.00 C ATOM 481 CG GLU A 37 -12.890 -5.407 7.963 1.00 0.00 C ATOM 482 CD GLU A 37 -14.327 -5.793 8.254 1.00 0.00 C ATOM 483 OE1 GLU A 37 -14.662 -6.987 8.111 1.00 0.00 O ATOM 484 OE2 GLU A 37 -15.117 -4.899 8.625 1.00 0.00 O ATOM 0 H GLU A 37 -10.392 -7.083 4.877 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.749 -4.736 6.628 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.909 -6.148 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.276 -7.281 7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.294 -5.532 8.867 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.848 -4.351 7.697 1.00 0.00 H new ATOM 491 N ALA A 38 -9.136 -5.747 8.191 1.00 0.00 N ATOM 492 CA ALA A 38 -8.148 -6.303 9.107 1.00 0.00 C ATOM 493 C ALA A 38 -8.751 -7.419 9.953 1.00 0.00 C ATOM 494 O ALA A 38 -9.613 -7.174 10.798 1.00 0.00 O ATOM 495 CB ALA A 38 -7.582 -5.208 10.000 1.00 0.00 C ATOM 0 H ALA A 38 -9.220 -4.731 8.227 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.338 -6.729 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.845 -5.637 10.679 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.106 -4.445 9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.389 -4.756 10.578 1.00 0.00 H new ATOM 501 N ARG A 39 -8.293 -8.645 9.721 1.00 0.00 N ATOM 502 CA ARG A 39 -8.789 -9.799 10.460 1.00 0.00 C ATOM 503 C ARG A 39 -8.376 -9.723 11.927 1.00 0.00 C ATOM 504 O ARG A 39 -9.191 -9.934 12.825 1.00 0.00 O ATOM 505 CB ARG A 39 -8.265 -11.094 9.838 1.00 0.00 C ATOM 506 CG ARG A 39 -8.946 -11.460 8.529 1.00 0.00 C ATOM 507 CD ARG A 39 -8.193 -12.560 7.797 1.00 0.00 C ATOM 508 NE ARG A 39 -8.649 -13.890 8.191 1.00 0.00 N ATOM 509 CZ ARG A 39 -9.883 -14.335 7.982 1.00 0.00 C ATOM 510 NH1 ARG A 39 -10.779 -13.560 7.387 1.00 0.00 N ATOM 511 NH2 ARG A 39 -10.223 -15.558 8.369 1.00 0.00 N ATOM 0 H ARG A 39 -7.579 -8.864 9.027 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.878 -9.793 10.406 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.193 -10.996 9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.400 -11.909 10.549 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.967 -11.787 8.728 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.012 -10.577 7.893 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.324 -12.436 6.722 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.126 -12.467 8.001 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.984 -14.511 8.652 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.522 -12.619 7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -11.726 -13.904 7.228 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.537 -16.157 8.827 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.171 -15.899 8.208 1.00 0.00 H new ATOM 525 N THR A 40 -7.103 -9.422 12.163 1.00 0.00 N ATOM 526 CA THR A 40 -6.580 -9.320 13.520 1.00 0.00 C ATOM 527 C THR A 40 -5.797 -8.026 13.712 1.00 0.00 C ATOM 528 O THR A 40 -5.323 -7.425 12.747 1.00 0.00 O ATOM 529 CB THR A 40 -5.668 -10.514 13.861 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.452 -10.433 13.109 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.368 -11.832 13.564 1.00 0.00 C ATOM 0 H THR A 40 -6.415 -9.244 11.432 1.00 0.00 H new ATOM 0 HA THR A 40 -7.439 -9.324 14.191 1.00 0.00 H new ATOM 0 HB THR A 40 -5.439 -10.475 14.926 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.660 -10.415 12.152 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.705 -12.660 13.813 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.277 -11.904 14.161 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.624 -11.877 12.506 1.00 0.00 H new ATOM 539 N THR A 41 -5.664 -7.601 14.965 1.00 0.00 N ATOM 540 CA THR A 41 -4.939 -6.378 15.283 1.00 0.00 C ATOM 541 C THR A 41 -3.635 -6.291 14.499 1.00 0.00 C ATOM 542 O THR A 41 -3.188 -5.203 14.140 1.00 0.00 O ATOM 543 CB THR A 41 -4.626 -6.286 16.789 1.00 0.00 C ATOM 544 OG1 THR A 41 -5.843 -6.298 17.544 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.841 -5.022 17.103 1.00 0.00 C ATOM 0 H THR A 41 -6.049 -8.086 15.775 1.00 0.00 H new ATOM 0 HA THR A 41 -5.585 -5.546 15.001 1.00 0.00 H new ATOM 0 HB THR A 41 -4.019 -7.149 17.064 1.00 0.00 H new ATOM 0 HG1 THR A 41 -5.635 -6.241 18.500 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.632 -4.980 18.172 1.00 0.00 H new ATOM 0 HG22 THR A 41 -2.902 -5.030 16.550 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.426 -4.149 16.813 1.00 0.00 H new ATOM 553 N GLU A 42 -3.030 -7.446 14.235 1.00 0.00 N ATOM 554 CA GLU A 42 -1.777 -7.498 13.493 1.00 0.00 C ATOM 555 C GLU A 42 -1.992 -7.107 12.034 1.00 0.00 C ATOM 556 O GLU A 42 -1.144 -6.454 11.424 1.00 0.00 O ATOM 557 CB GLU A 42 -1.170 -8.901 13.571 1.00 0.00 C ATOM 558 CG GLU A 42 -0.810 -9.330 14.984 1.00 0.00 C ATOM 559 CD GLU A 42 0.608 -8.950 15.365 1.00 0.00 C ATOM 560 OE1 GLU A 42 1.074 -7.879 14.922 1.00 0.00 O ATOM 561 OE2 GLU A 42 1.251 -9.722 16.106 1.00 0.00 O ATOM 0 H GLU A 42 -3.388 -8.356 14.524 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.087 -6.785 13.945 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.876 -9.617 13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.275 -8.936 12.950 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.506 -8.873 15.687 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.930 -10.410 15.074 1.00 0.00 H new ATOM 568 N ASP A 43 -3.130 -7.510 11.481 1.00 0.00 N ATOM 569 CA ASP A 43 -3.458 -7.201 10.094 1.00 0.00 C ATOM 570 C ASP A 43 -3.851 -5.735 9.942 1.00 0.00 C ATOM 571 O ASP A 43 -4.430 -5.139 10.851 1.00 0.00 O ATOM 572 CB ASP A 43 -4.594 -8.100 9.604 1.00 0.00 C ATOM 573 CG ASP A 43 -4.130 -9.514 9.314 1.00 0.00 C ATOM 574 OD1 ASP A 43 -4.083 -10.328 10.260 1.00 0.00 O ATOM 575 OD2 ASP A 43 -3.813 -9.807 8.142 1.00 0.00 O ATOM 0 H ASP A 43 -3.841 -8.052 11.972 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.572 -7.385 9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.382 -8.127 10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.029 -7.671 8.701 1.00 0.00 H new ATOM 580 N LEU A 44 -3.532 -5.159 8.788 1.00 0.00 N ATOM 581 CA LEU A 44 -3.850 -3.762 8.516 1.00 0.00 C ATOM 582 C LEU A 44 -5.117 -3.646 7.675 1.00 0.00 C ATOM 583 O LEU A 44 -5.220 -4.242 6.604 1.00 0.00 O ATOM 584 CB LEU A 44 -2.683 -3.082 7.797 1.00 0.00 C ATOM 585 CG LEU A 44 -2.542 -1.576 8.021 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.823 -0.928 6.848 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.908 -0.938 8.230 1.00 0.00 C ATOM 0 H LEU A 44 -3.053 -5.638 8.026 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.021 -3.262 9.469 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.758 -3.564 8.112 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.787 -3.262 6.727 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.947 -1.415 8.920 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.732 0.144 7.024 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.830 -1.365 6.744 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.392 -1.098 5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.789 0.134 8.388 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.528 -1.108 7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.387 -1.382 9.102 1.00 0.00 H new ATOM 599 N SER A 45 -6.079 -2.872 8.168 1.00 0.00 N ATOM 600 CA SER A 45 -7.341 -2.678 7.463 1.00 0.00 C ATOM 601 C SER A 45 -7.218 -1.567 6.424 1.00 0.00 C ATOM 602 O SER A 45 -6.531 -0.569 6.644 1.00 0.00 O ATOM 603 CB SER A 45 -8.458 -2.344 8.454 1.00 0.00 C ATOM 604 OG SER A 45 -9.703 -2.205 7.791 1.00 0.00 O ATOM 0 H SER A 45 -6.009 -2.369 9.053 1.00 0.00 H new ATOM 0 HA SER A 45 -7.588 -3.607 6.949 1.00 0.00 H new ATOM 0 HB2 SER A 45 -8.529 -3.130 9.206 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.217 -1.420 8.980 1.00 0.00 H new ATOM 0 HG SER A 45 -10.401 -1.993 8.446 1.00 0.00 H new ATOM 610 N PHE A 46 -7.889 -1.747 5.292 1.00 0.00 N ATOM 611 CA PHE A 46 -7.855 -0.762 4.217 1.00 0.00 C ATOM 612 C PHE A 46 -9.109 -0.856 3.353 1.00 0.00 C ATOM 613 O PHE A 46 -9.867 -1.822 3.440 1.00 0.00 O ATOM 614 CB PHE A 46 -6.609 -0.962 3.352 1.00 0.00 C ATOM 615 CG PHE A 46 -6.351 -2.399 2.996 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.775 -3.261 3.915 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.686 -2.887 1.744 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.535 -4.582 3.590 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.450 -4.208 1.413 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.874 -5.057 2.338 1.00 0.00 C ATOM 0 H PHE A 46 -8.464 -2.566 5.095 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.820 0.230 4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.716 -0.382 2.435 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.742 -0.566 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.511 -2.896 4.897 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.137 -2.227 1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.083 -5.243 4.314 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.715 -4.576 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.689 -6.090 2.083 1.00 0.00 H new ATOM 630 N LYS A 47 -9.323 0.156 2.519 1.00 0.00 N ATOM 631 CA LYS A 47 -10.484 0.190 1.638 1.00 0.00 C ATOM 632 C LYS A 47 -10.061 0.416 0.190 1.00 0.00 C ATOM 633 O LYS A 47 -8.961 0.899 -0.079 1.00 0.00 O ATOM 634 CB LYS A 47 -11.451 1.293 2.076 1.00 0.00 C ATOM 635 CG LYS A 47 -12.001 1.097 3.478 1.00 0.00 C ATOM 636 CD LYS A 47 -13.136 0.086 3.496 1.00 0.00 C ATOM 637 CE LYS A 47 -13.460 -0.363 4.912 1.00 0.00 C ATOM 638 NZ LYS A 47 -12.361 -1.178 5.501 1.00 0.00 N ATOM 0 H LYS A 47 -8.707 0.964 2.435 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.988 -0.774 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.939 2.254 2.026 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.282 1.337 1.372 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.202 0.761 4.139 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.356 2.051 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.023 0.526 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.863 -0.780 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.639 0.511 5.538 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.381 -0.946 4.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -12.737 -2.098 5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -11.619 -1.328 4.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.958 -0.678 6.319 1.00 0.00 H new ATOM 652 N LYS A 48 -10.943 0.066 -0.741 1.00 0.00 N ATOM 653 CA LYS A 48 -10.663 0.233 -2.162 1.00 0.00 C ATOM 654 C LYS A 48 -10.424 1.700 -2.501 1.00 0.00 C ATOM 655 O LYS A 48 -11.335 2.523 -2.418 1.00 0.00 O ATOM 656 CB LYS A 48 -11.822 -0.313 -2.998 1.00 0.00 C ATOM 657 CG LYS A 48 -11.723 0.032 -4.474 1.00 0.00 C ATOM 658 CD LYS A 48 -12.697 -0.786 -5.305 1.00 0.00 C ATOM 659 CE LYS A 48 -12.668 -0.370 -6.768 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.749 -1.027 -7.553 1.00 0.00 N ATOM 0 H LYS A 48 -11.858 -0.335 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.758 -0.327 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.859 -1.397 -2.889 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.760 0.079 -2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.926 1.094 -4.615 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.706 -0.147 -4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.449 -1.844 -5.222 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.706 -0.663 -4.911 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.774 0.712 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.700 -0.625 -7.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.695 -0.718 -8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.634 -2.060 -7.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.674 -0.763 -7.158 1.00 0.00 H new ATOM 674 N GLY A 49 -9.192 2.022 -2.884 1.00 0.00 N ATOM 675 CA GLY A 49 -8.856 3.391 -3.231 1.00 0.00 C ATOM 676 C GLY A 49 -8.108 4.103 -2.122 1.00 0.00 C ATOM 677 O GLY A 49 -8.198 5.323 -1.988 1.00 0.00 O ATOM 0 H GLY A 49 -8.420 1.359 -2.960 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.248 3.394 -4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.770 3.940 -3.459 1.00 0.00 H new ATOM 681 N GLU A 50 -7.367 3.339 -1.325 1.00 0.00 N ATOM 682 CA GLU A 50 -6.602 3.906 -0.220 1.00 0.00 C ATOM 683 C GLU A 50 -5.109 3.654 -0.407 1.00 0.00 C ATOM 684 O GLU A 50 -4.705 2.623 -0.944 1.00 0.00 O ATOM 685 CB GLU A 50 -7.069 3.311 1.110 1.00 0.00 C ATOM 686 CG GLU A 50 -6.564 4.070 2.326 1.00 0.00 C ATOM 687 CD GLU A 50 -7.393 5.302 2.631 1.00 0.00 C ATOM 688 OE1 GLU A 50 -7.701 6.059 1.687 1.00 0.00 O ATOM 689 OE2 GLU A 50 -7.734 5.509 3.815 1.00 0.00 O ATOM 0 H GLU A 50 -7.280 2.327 -1.424 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.772 4.983 -0.208 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.159 3.295 1.129 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.734 2.276 1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.572 3.408 3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.528 4.366 2.160 1.00 0.00 H new ATOM 696 N ARG A 51 -4.294 4.603 0.041 1.00 0.00 N ATOM 697 CA ARG A 51 -2.846 4.486 -0.078 1.00 0.00 C ATOM 698 C ARG A 51 -2.226 4.040 1.243 1.00 0.00 C ATOM 699 O ARG A 51 -2.852 4.138 2.299 1.00 0.00 O ATOM 700 CB ARG A 51 -2.238 5.821 -0.513 1.00 0.00 C ATOM 701 CG ARG A 51 -2.844 6.378 -1.791 1.00 0.00 C ATOM 702 CD ARG A 51 -1.842 7.225 -2.559 1.00 0.00 C ATOM 703 NE ARG A 51 -2.500 8.171 -3.457 1.00 0.00 N ATOM 704 CZ ARG A 51 -3.080 9.293 -3.045 1.00 0.00 C ATOM 705 NH1 ARG A 51 -3.084 9.607 -1.757 1.00 0.00 N ATOM 706 NH2 ARG A 51 -3.658 10.103 -3.922 1.00 0.00 N ATOM 0 H ARG A 51 -4.612 5.462 0.490 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.629 3.732 -0.835 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.369 6.548 0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.165 5.693 -0.655 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.186 5.557 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.720 6.980 -1.548 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.213 7.770 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.184 6.575 -3.136 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.515 7.959 -4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.641 8.986 -1.079 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.530 10.469 -1.444 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.657 9.865 -4.914 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.103 10.964 -3.605 1.00 0.00 H new ATOM 720 N PHE A 52 -0.993 3.549 1.177 1.00 0.00 N ATOM 721 CA PHE A 52 -0.289 3.086 2.367 1.00 0.00 C ATOM 722 C PHE A 52 1.215 3.025 2.120 1.00 0.00 C ATOM 723 O PHE A 52 1.664 2.536 1.083 1.00 0.00 O ATOM 724 CB PHE A 52 -0.805 1.708 2.787 1.00 0.00 C ATOM 725 CG PHE A 52 -2.303 1.624 2.853 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.051 1.446 1.700 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.963 1.722 4.067 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.430 1.367 1.757 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.341 1.644 4.131 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.076 1.468 2.974 1.00 0.00 C ATOM 0 H PHE A 52 -0.460 3.461 0.311 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.479 3.798 3.171 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.438 0.961 2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.391 1.456 3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.551 1.368 0.746 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.394 1.861 4.974 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.001 1.227 0.851 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.843 1.720 5.084 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.153 1.410 3.021 1.00 0.00 H new ATOM 740 N GLN A 53 1.988 3.525 3.079 1.00 0.00 N ATOM 741 CA GLN A 53 3.441 3.528 2.965 1.00 0.00 C ATOM 742 C GLN A 53 4.021 2.171 3.352 1.00 0.00 C ATOM 743 O GLN A 53 3.926 1.752 4.506 1.00 0.00 O ATOM 744 CB GLN A 53 4.041 4.623 3.849 1.00 0.00 C ATOM 745 CG GLN A 53 3.884 6.022 3.275 1.00 0.00 C ATOM 746 CD GLN A 53 3.957 7.101 4.337 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.173 7.107 5.286 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.903 8.020 4.184 1.00 0.00 N ATOM 0 H GLN A 53 1.632 3.933 3.943 1.00 0.00 H new ATOM 0 HA GLN A 53 3.698 3.729 1.925 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.568 4.587 4.830 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.101 4.417 3.999 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.663 6.195 2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.928 6.092 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.531 7.976 3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.001 8.770 4.869 1.00 0.00 H new ATOM 757 N ILE A 54 4.620 1.490 2.381 1.00 0.00 N ATOM 758 CA ILE A 54 5.215 0.182 2.622 1.00 0.00 C ATOM 759 C ILE A 54 6.435 0.291 3.529 1.00 0.00 C ATOM 760 O ILE A 54 7.498 0.747 3.105 1.00 0.00 O ATOM 761 CB ILE A 54 5.628 -0.499 1.304 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.443 -0.553 0.338 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.162 -1.898 1.575 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.265 -1.338 0.871 1.00 0.00 C ATOM 0 H ILE A 54 4.706 1.822 1.421 1.00 0.00 H new ATOM 0 HA ILE A 54 4.454 -0.425 3.113 1.00 0.00 H new ATOM 0 HB ILE A 54 6.422 0.089 0.842 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.120 0.464 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.771 -0.998 -0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.450 -2.366 0.634 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.031 -1.835 2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.388 -2.496 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.462 -1.334 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.572 -2.365 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.911 -0.881 1.795 1.00 0.00 H new ATOM 776 N ILE A 55 6.276 -0.132 4.779 1.00 0.00 N ATOM 777 CA ILE A 55 7.366 -0.084 5.745 1.00 0.00 C ATOM 778 C ILE A 55 8.300 -1.278 5.580 1.00 0.00 C ATOM 779 O ILE A 55 9.518 -1.120 5.503 1.00 0.00 O ATOM 780 CB ILE A 55 6.836 -0.057 7.191 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.829 1.081 7.367 1.00 0.00 C ATOM 782 CG2 ILE A 55 7.987 0.090 8.175 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.789 0.808 8.431 1.00 0.00 C ATOM 0 H ILE A 55 5.403 -0.512 5.146 1.00 0.00 H new ATOM 0 HA ILE A 55 7.918 0.836 5.552 1.00 0.00 H new ATOM 0 HB ILE A 55 6.329 -1.000 7.394 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.366 1.995 7.621 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.326 1.261 6.417 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.596 0.107 9.192 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.671 -0.751 8.063 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.520 1.020 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.109 1.657 8.501 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.226 -0.088 8.168 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.282 0.658 9.392 1.00 0.00 H new ATOM 795 N ASN A 56 7.720 -2.473 5.525 1.00 0.00 N ATOM 796 CA ASN A 56 8.501 -3.695 5.367 1.00 0.00 C ATOM 797 C ASN A 56 7.948 -4.550 4.231 1.00 0.00 C ATOM 798 O ASN A 56 6.742 -4.771 4.137 1.00 0.00 O ATOM 799 CB ASN A 56 8.501 -4.496 6.671 1.00 0.00 C ATOM 800 CG ASN A 56 9.751 -5.340 6.830 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.394 -5.707 5.848 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.099 -5.651 8.073 1.00 0.00 N ATOM 0 H ASN A 56 6.713 -2.621 5.587 1.00 0.00 H new ATOM 0 HA ASN A 56 9.525 -3.414 5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.418 -3.811 7.515 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.624 -5.142 6.698 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.930 -6.217 8.243 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.535 -5.324 8.857 1.00 0.00 H new ATOM 809 N ASN A 57 8.841 -5.029 3.371 1.00 0.00 N ATOM 810 CA ASN A 57 8.443 -5.861 2.241 1.00 0.00 C ATOM 811 C ASN A 57 9.247 -7.157 2.210 1.00 0.00 C ATOM 812 O ASN A 57 9.595 -7.660 1.141 1.00 0.00 O ATOM 813 CB ASN A 57 8.632 -5.099 0.928 1.00 0.00 C ATOM 814 CG ASN A 57 10.085 -4.750 0.667 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.948 -5.628 0.626 1.00 0.00 O ATOM 816 ND2 ASN A 57 10.362 -3.464 0.488 1.00 0.00 N ATOM 0 H ASN A 57 9.844 -4.856 3.435 1.00 0.00 H new ATOM 0 HA ASN A 57 7.389 -6.111 2.360 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.252 -5.702 0.103 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.040 -4.184 0.953 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.322 -3.169 0.308 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.615 -2.771 0.531 1.00 0.00 H new ATOM 823 N THR A 58 9.538 -7.695 3.390 1.00 0.00 N ATOM 824 CA THR A 58 10.301 -8.932 3.499 1.00 0.00 C ATOM 825 C THR A 58 9.396 -10.151 3.357 1.00 0.00 C ATOM 826 O THR A 58 9.797 -11.169 2.795 1.00 0.00 O ATOM 827 CB THR A 58 11.047 -9.015 4.844 1.00 0.00 C ATOM 828 OG1 THR A 58 12.012 -10.073 4.804 1.00 0.00 O ATOM 829 CG2 THR A 58 10.074 -9.253 5.989 1.00 0.00 C ATOM 0 H THR A 58 9.257 -7.293 4.284 1.00 0.00 H new ATOM 0 HA THR A 58 11.029 -8.927 2.688 1.00 0.00 H new ATOM 0 HB THR A 58 11.555 -8.065 5.012 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.483 -10.119 5.662 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.624 -9.308 6.928 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.358 -8.432 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.541 -10.190 5.825 1.00 0.00 H new ATOM 837 N GLU A 59 8.175 -10.038 3.869 1.00 0.00 N ATOM 838 CA GLU A 59 7.213 -11.132 3.798 1.00 0.00 C ATOM 839 C GLU A 59 6.303 -10.979 2.583 1.00 0.00 C ATOM 840 O GLU A 59 5.310 -10.255 2.625 1.00 0.00 O ATOM 841 CB GLU A 59 6.372 -11.185 5.075 1.00 0.00 C ATOM 842 CG GLU A 59 7.178 -11.510 6.322 1.00 0.00 C ATOM 843 CD GLU A 59 6.338 -12.153 7.409 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.592 -11.422 8.092 1.00 0.00 O ATOM 845 OE2 GLU A 59 6.428 -13.387 7.575 1.00 0.00 O ATOM 0 H GLU A 59 7.828 -9.201 4.337 1.00 0.00 H new ATOM 0 HA GLU A 59 7.769 -12.064 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.876 -10.224 5.213 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.589 -11.933 4.953 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.996 -12.179 6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.627 -10.595 6.708 1.00 0.00 H new ATOM 852 N GLY A 60 6.652 -11.667 1.499 1.00 0.00 N ATOM 853 CA GLY A 60 5.857 -11.593 0.287 1.00 0.00 C ATOM 854 C GLY A 60 4.378 -11.795 0.550 1.00 0.00 C ATOM 855 O GLY A 60 3.538 -11.114 -0.037 1.00 0.00 O ATOM 0 H GLY A 60 7.470 -12.273 1.439 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.010 -10.622 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.204 -12.348 -0.418 1.00 0.00 H new ATOM 859 N ASP A 61 4.059 -12.735 1.433 1.00 0.00 N ATOM 860 CA ASP A 61 2.671 -13.026 1.772 1.00 0.00 C ATOM 861 C ASP A 61 1.946 -11.763 2.227 1.00 0.00 C ATOM 862 O ASP A 61 0.899 -11.407 1.685 1.00 0.00 O ATOM 863 CB ASP A 61 2.604 -14.090 2.869 1.00 0.00 C ATOM 864 CG ASP A 61 3.573 -15.231 2.629 1.00 0.00 C ATOM 865 OD1 ASP A 61 3.558 -15.798 1.516 1.00 0.00 O ATOM 866 OD2 ASP A 61 4.346 -15.556 3.554 1.00 0.00 O ATOM 0 H ASP A 61 4.743 -13.308 1.927 1.00 0.00 H new ATOM 0 HA ASP A 61 2.176 -13.405 0.878 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.822 -13.629 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.590 -14.485 2.927 1.00 0.00 H new ATOM 871 N TRP A 62 2.510 -11.090 3.223 1.00 0.00 N ATOM 872 CA TRP A 62 1.917 -9.867 3.751 1.00 0.00 C ATOM 873 C TRP A 62 2.980 -8.796 3.968 1.00 0.00 C ATOM 874 O TRP A 62 4.048 -9.070 4.517 1.00 0.00 O ATOM 875 CB TRP A 62 1.190 -10.154 5.066 1.00 0.00 C ATOM 876 CG TRP A 62 0.060 -11.128 4.919 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.160 -12.467 4.672 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.339 -10.837 5.008 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.094 -13.027 4.602 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.030 -12.048 4.806 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.075 -9.673 5.241 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.420 -12.124 4.829 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.455 -9.750 5.264 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.115 -10.969 5.059 1.00 0.00 C ATOM 0 H TRP A 62 3.377 -11.370 3.681 1.00 0.00 H new ATOM 0 HA TRP A 62 1.198 -9.497 3.020 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.905 -10.544 5.791 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.804 -9.219 5.471 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.087 -13.007 4.550 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.295 -14.012 4.427 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.575 -8.729 5.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.931 -13.062 4.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.034 -8.856 5.443 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.194 -10.997 5.083 1.00 0.00 H new ATOM 895 N TRP A 63 2.682 -7.576 3.534 1.00 0.00 N ATOM 896 CA TRP A 63 3.614 -6.464 3.681 1.00 0.00 C ATOM 897 C TRP A 63 3.157 -5.513 4.782 1.00 0.00 C ATOM 898 O TRP A 63 1.961 -5.283 4.957 1.00 0.00 O ATOM 899 CB TRP A 63 3.750 -5.707 2.359 1.00 0.00 C ATOM 900 CG TRP A 63 4.439 -6.498 1.289 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.282 -7.558 1.468 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.346 -6.291 -0.124 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.718 -8.022 0.251 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.158 -7.262 -0.742 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.655 -5.381 -0.928 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.297 -7.346 -2.125 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.794 -5.465 -2.301 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.608 -6.442 -2.888 1.00 0.00 C ATOM 0 H TRP A 63 1.803 -7.332 3.078 1.00 0.00 H new ATOM 0 HA TRP A 63 4.586 -6.871 3.959 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.758 -5.422 2.008 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.304 -4.784 2.532 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.564 -7.970 2.425 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.355 -8.806 0.109 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.023 -4.625 -0.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.926 -8.097 -2.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.266 -4.765 -2.932 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.694 -6.483 -3.964 1.00 0.00 H new ATOM 919 N GLU A 64 4.116 -4.963 5.520 1.00 0.00 N ATOM 920 CA GLU A 64 3.810 -4.037 6.604 1.00 0.00 C ATOM 921 C GLU A 64 3.814 -2.595 6.105 1.00 0.00 C ATOM 922 O GLU A 64 4.856 -2.063 5.723 1.00 0.00 O ATOM 923 CB GLU A 64 4.819 -4.198 7.742 1.00 0.00 C ATOM 924 CG GLU A 64 4.559 -3.275 8.921 1.00 0.00 C ATOM 925 CD GLU A 64 5.418 -3.609 10.125 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.185 -4.592 10.052 1.00 0.00 O ATOM 927 OE2 GLU A 64 5.323 -2.887 11.140 1.00 0.00 O ATOM 0 H GLU A 64 5.111 -5.143 5.387 1.00 0.00 H new ATOM 0 HA GLU A 64 2.813 -4.271 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.801 -5.231 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.821 -4.009 7.357 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.748 -2.245 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.507 -3.337 9.201 1.00 0.00 H new ATOM 934 N ALA A 65 2.642 -1.970 6.111 1.00 0.00 N ATOM 935 CA ALA A 65 2.510 -0.589 5.661 1.00 0.00 C ATOM 936 C ALA A 65 1.746 0.250 6.679 1.00 0.00 C ATOM 937 O ALA A 65 1.028 -0.285 7.524 1.00 0.00 O ATOM 938 CB ALA A 65 1.817 -0.540 4.307 1.00 0.00 C ATOM 0 H ALA A 65 1.770 -2.397 6.422 1.00 0.00 H new ATOM 0 HA ALA A 65 3.510 -0.168 5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.725 0.497 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.404 -1.098 3.577 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.825 -0.984 4.390 1.00 0.00 H new ATOM 944 N ARG A 66 1.906 1.566 6.594 1.00 0.00 N ATOM 945 CA ARG A 66 1.233 2.479 7.510 1.00 0.00 C ATOM 946 C ARG A 66 0.312 3.430 6.751 1.00 0.00 C ATOM 947 O ARG A 66 0.775 4.347 6.073 1.00 0.00 O ATOM 948 CB ARG A 66 2.260 3.278 8.314 1.00 0.00 C ATOM 949 CG ARG A 66 1.642 4.356 9.190 1.00 0.00 C ATOM 950 CD ARG A 66 2.670 5.401 9.596 1.00 0.00 C ATOM 951 NE ARG A 66 3.312 6.016 8.438 1.00 0.00 N ATOM 952 CZ ARG A 66 4.148 7.045 8.521 1.00 0.00 C ATOM 953 NH1 ARG A 66 4.442 7.571 9.703 1.00 0.00 N ATOM 954 NH2 ARG A 66 4.693 7.550 7.422 1.00 0.00 N ATOM 0 H ARG A 66 2.496 2.024 5.900 1.00 0.00 H new ATOM 0 HA ARG A 66 0.628 1.886 8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.830 2.593 8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 66 2.967 3.742 7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.824 4.838 8.654 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.213 3.900 10.082 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.186 6.173 10.194 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.428 4.937 10.227 1.00 0.00 H new ATOM 0 HE ARG A 66 3.107 5.635 7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.026 7.185 10.551 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.084 8.361 9.764 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.470 7.148 6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.335 8.340 7.488 1.00 0.00 H new ATOM 968 N SER A 67 -0.992 3.204 6.870 1.00 0.00 N ATOM 969 CA SER A 67 -1.977 4.038 6.192 1.00 0.00 C ATOM 970 C SER A 67 -1.649 5.518 6.368 1.00 0.00 C ATOM 971 O SER A 67 -1.336 5.969 7.470 1.00 0.00 O ATOM 972 CB SER A 67 -3.380 3.748 6.730 1.00 0.00 C ATOM 973 OG SER A 67 -3.567 2.359 6.941 1.00 0.00 O ATOM 0 H SER A 67 -1.391 2.450 7.430 1.00 0.00 H new ATOM 0 HA SER A 67 -1.947 3.800 5.129 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.532 4.285 7.666 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.126 4.116 6.026 1.00 0.00 H new ATOM 0 HG SER A 67 -3.471 1.883 6.090 1.00 0.00 H new ATOM 979 N ILE A 68 -1.724 6.268 5.273 1.00 0.00 N ATOM 980 CA ILE A 68 -1.437 7.697 5.306 1.00 0.00 C ATOM 981 C ILE A 68 -2.701 8.506 5.572 1.00 0.00 C ATOM 982 O ILE A 68 -2.671 9.507 6.288 1.00 0.00 O ATOM 983 CB ILE A 68 -0.805 8.174 3.985 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.268 7.186 3.521 1.00 0.00 C ATOM 985 CG2 ILE A 68 -0.214 9.565 4.153 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.660 7.356 2.070 1.00 0.00 C ATOM 0 H ILE A 68 -1.981 5.910 4.353 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.728 7.858 6.118 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.583 8.220 3.223 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.154 7.305 4.145 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.095 6.170 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.229 9.888 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.001 10.262 4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.554 9.543 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.424 6.623 1.811 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.215 7.207 1.437 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.054 8.360 1.915 1.00 0.00 H new ATOM 998 N ALA A 69 -3.813 8.064 4.993 1.00 0.00 N ATOM 999 CA ALA A 69 -5.090 8.745 5.172 1.00 0.00 C ATOM 1000 C ALA A 69 -5.439 8.879 6.650 1.00 0.00 C ATOM 1001 O ALA A 69 -5.545 9.988 7.176 1.00 0.00 O ATOM 1002 CB ALA A 69 -6.192 8.001 4.433 1.00 0.00 C ATOM 0 H ALA A 69 -3.855 7.238 4.396 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.000 9.748 4.755 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.140 8.520 4.575 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.955 7.962 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.272 6.987 4.824 1.00 0.00 H new ATOM 1008 N THR A 70 -5.617 7.743 7.317 1.00 0.00 N ATOM 1009 CA THR A 70 -5.956 7.734 8.734 1.00 0.00 C ATOM 1010 C THR A 70 -4.701 7.718 9.600 1.00 0.00 C ATOM 1011 O THR A 70 -4.504 8.594 10.440 1.00 0.00 O ATOM 1012 CB THR A 70 -6.829 6.518 9.095 1.00 0.00 C ATOM 1013 OG1 THR A 70 -6.079 5.309 8.931 1.00 0.00 O ATOM 1014 CG2 THR A 70 -8.076 6.469 8.224 1.00 0.00 C ATOM 0 H THR A 70 -5.532 6.817 6.898 1.00 0.00 H new ATOM 0 HA THR A 70 -6.518 8.647 8.930 1.00 0.00 H new ATOM 0 HB THR A 70 -7.136 6.616 10.136 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.653 4.619 8.537 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.677 5.602 8.497 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.660 7.377 8.374 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.785 6.393 7.176 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.853 6.716 9.387 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.627 6.605 10.156 1.00 0.00 C ATOM 1024 C GLY A 71 -2.486 5.256 10.833 1.00 0.00 C ATOM 1025 O GLY A 71 -1.744 5.115 11.804 1.00 0.00 O ATOM 0 H GLY A 71 -3.993 5.979 8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.773 6.769 9.498 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.603 7.391 10.911 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.202 4.261 10.320 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.155 2.916 10.881 1.00 0.00 C ATOM 1031 C LYS A 72 -1.868 2.204 10.478 1.00 0.00 C ATOM 1032 O LYS A 72 -1.075 2.729 9.696 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.367 2.105 10.416 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.685 2.600 10.986 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.837 1.689 10.597 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.478 2.128 9.289 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.311 1.049 8.690 1.00 0.00 N ATOM 0 H LYS A 72 -3.822 4.361 9.516 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.178 3.001 11.967 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.418 2.135 9.328 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.227 1.062 10.700 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.615 2.656 12.072 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.881 3.610 10.627 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.476 0.665 10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.586 1.690 11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.096 3.008 9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.700 2.420 8.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.028 1.470 8.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.705 0.408 8.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.782 0.514 9.447 1.00 0.00 H new ATOM 1051 N SER A 73 -1.667 1.005 11.015 1.00 0.00 N ATOM 1052 CA SER A 73 -0.475 0.222 10.714 1.00 0.00 C ATOM 1053 C SER A 73 -0.729 -1.265 10.944 1.00 0.00 C ATOM 1054 O SER A 73 -1.430 -1.649 11.880 1.00 0.00 O ATOM 1055 CB SER A 73 0.700 0.690 11.574 1.00 0.00 C ATOM 1056 OG SER A 73 0.338 0.748 12.943 1.00 0.00 O ATOM 0 H SER A 73 -2.315 0.555 11.661 1.00 0.00 H new ATOM 0 HA SER A 73 -0.228 0.372 9.663 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.542 0.010 11.446 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.030 1.673 11.240 1.00 0.00 H new ATOM 0 HG SER A 73 1.106 1.048 13.472 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.152 -2.098 10.083 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.327 -3.533 10.210 1.00 0.00 C ATOM 1064 C GLY A 74 0.308 -4.298 9.065 1.00 0.00 C ATOM 1065 O GLY A 74 1.417 -3.978 8.636 1.00 0.00 O ATOM 0 H GLY A 74 0.433 -1.805 9.301 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.108 -3.867 11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.391 -3.764 10.251 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.395 -5.311 8.570 1.00 0.00 N ATOM 1070 CA TYR A 75 0.109 -6.126 7.471 1.00 0.00 C ATOM 1071 C TYR A 75 -0.948 -6.286 6.383 1.00 0.00 C ATOM 1072 O TYR A 75 -1.988 -6.909 6.600 1.00 0.00 O ATOM 1073 CB TYR A 75 0.542 -7.500 7.984 1.00 0.00 C ATOM 1074 CG TYR A 75 1.542 -7.437 9.116 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.586 -6.519 9.096 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.445 -8.294 10.205 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.503 -6.458 10.128 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.356 -8.239 11.241 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.383 -7.320 11.198 1.00 0.00 C ATOM 1080 OH TYR A 75 4.294 -7.263 12.228 1.00 0.00 O ATOM 0 H TYR A 75 -1.315 -5.587 8.912 1.00 0.00 H new ATOM 0 HA TYR A 75 0.972 -5.618 7.041 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.339 -8.047 8.319 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.975 -8.066 7.159 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.682 -5.842 8.260 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.643 -9.016 10.242 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.309 -5.740 10.097 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.265 -8.912 12.081 1.00 0.00 H new ATOM 0 HH TYR A 75 4.067 -7.936 12.903 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.673 -5.721 5.213 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.598 -5.802 4.089 1.00 0.00 C ATOM 1092 C ILE A 76 -1.090 -6.771 3.027 1.00 0.00 C ATOM 1093 O ILE A 76 0.103 -6.840 2.734 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.822 -4.422 3.443 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.480 -3.756 3.133 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.659 -3.539 4.357 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.608 -2.495 2.308 1.00 0.00 C ATOM 0 H ILE A 76 0.183 -5.202 5.018 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.545 -6.166 4.487 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.363 -4.559 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.023 -3.518 4.070 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.154 -4.465 2.602 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.809 -2.567 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.626 -4.010 4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.142 -3.406 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.382 -2.077 2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.083 -2.730 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.216 -1.768 2.847 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.017 -7.539 2.435 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.687 -8.518 1.395 1.00 0.00 C ATOM 1111 C PRO A 77 -1.262 -7.854 0.089 1.00 0.00 C ATOM 1112 O PRO A 77 -2.022 -7.092 -0.507 1.00 0.00 O ATOM 1113 CB PRO A 77 -2.997 -9.286 1.202 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.061 -8.335 1.631 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.458 -7.511 2.736 1.00 0.00 C ATOM 0 HA PRO A 77 -0.845 -9.149 1.681 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.130 -9.586 0.163 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.014 -10.196 1.802 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.378 -7.703 0.801 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.945 -8.869 1.980 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.849 -6.493 2.737 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.672 -7.936 3.717 1.00 0.00 H new ATOM 1123 N SER A 78 -0.042 -8.150 -0.349 1.00 0.00 N ATOM 1124 CA SER A 78 0.485 -7.579 -1.583 1.00 0.00 C ATOM 1125 C SER A 78 -0.290 -8.090 -2.794 1.00 0.00 C ATOM 1126 O SER A 78 -0.067 -7.647 -3.919 1.00 0.00 O ATOM 1127 CB SER A 78 1.969 -7.918 -1.733 1.00 0.00 C ATOM 1128 OG SER A 78 2.151 -9.293 -2.025 1.00 0.00 O ATOM 0 H SER A 78 0.599 -8.781 0.132 1.00 0.00 H new ATOM 0 HA SER A 78 0.370 -6.496 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.405 -7.313 -2.528 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.498 -7.665 -0.814 1.00 0.00 H new ATOM 0 HG SER A 78 2.601 -9.731 -1.272 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.202 -9.026 -2.552 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.011 -9.599 -3.621 1.00 0.00 C ATOM 1136 C ASN A 79 -3.272 -8.773 -3.852 1.00 0.00 C ATOM 1137 O ASN A 79 -4.069 -9.072 -4.742 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.389 -11.043 -3.286 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.357 -12.040 -3.777 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -1.279 -12.332 -4.970 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -0.558 -12.567 -2.856 1.00 0.00 N ATOM 0 H ASN A 79 -1.399 -9.404 -1.625 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.418 -9.588 -4.536 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.504 -11.145 -2.207 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.356 -11.275 -3.732 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.156 -13.243 -3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.659 -12.296 -1.878 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.447 -7.732 -3.046 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.612 -6.862 -3.160 1.00 0.00 C ATOM 1150 C TYR A 80 -4.194 -5.431 -3.485 1.00 0.00 C ATOM 1151 O TYR A 80 -4.898 -4.712 -4.194 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.422 -6.887 -1.863 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.488 -7.958 -1.836 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.235 -9.231 -2.332 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.749 -7.698 -1.312 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.207 -10.213 -2.309 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.726 -8.674 -1.284 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.450 -9.930 -1.784 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.421 -10.905 -1.758 1.00 0.00 O ATOM 0 H TYR A 80 -2.796 -7.470 -2.306 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.233 -7.233 -3.975 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.744 -7.040 -1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.892 -5.914 -1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.262 -9.457 -2.743 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.969 -6.716 -0.920 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -6.994 -11.197 -2.700 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.700 -8.455 -0.873 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.238 -10.543 -1.355 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.041 -5.025 -2.962 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.527 -3.681 -3.196 1.00 0.00 C ATOM 1171 C VAL A 81 -1.420 -3.692 -4.245 1.00 0.00 C ATOM 1172 O VAL A 81 -0.597 -4.606 -4.285 1.00 0.00 O ATOM 1173 CB VAL A 81 -1.984 -3.054 -1.899 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.105 -2.857 -0.891 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.875 -3.916 -1.314 1.00 0.00 C ATOM 0 H VAL A 81 -2.446 -5.608 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.362 -3.081 -3.558 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.566 -2.076 -2.137 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.702 -2.413 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.862 -2.196 -1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.556 -3.821 -0.655 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.503 -3.458 -0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.265 -4.909 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.061 -4.000 -2.034 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.407 -2.669 -5.094 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.400 -2.559 -6.143 1.00 0.00 C ATOM 1187 C VAL A 82 0.242 -1.176 -6.145 1.00 0.00 C ATOM 1188 O VAL A 82 -0.359 -0.184 -5.731 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.005 -2.835 -7.532 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.036 -3.950 -7.454 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.620 -1.567 -8.106 1.00 0.00 C ATOM 0 H VAL A 82 -2.082 -1.905 -5.076 1.00 0.00 H new ATOM 0 HA VAL A 82 0.362 -3.309 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.206 -3.159 -8.199 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.452 -4.131 -8.445 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.561 -4.860 -7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.835 -3.659 -6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.043 -1.780 -9.088 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.407 -1.211 -7.441 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.851 -0.800 -8.201 1.00 0.00 H new ATOM 1201 N PRO A 83 1.493 -1.105 -6.624 1.00 0.00 N ATOM 1202 CA PRO A 83 2.244 0.152 -6.693 1.00 0.00 C ATOM 1203 C PRO A 83 1.684 1.104 -7.744 1.00 0.00 C ATOM 1204 O PRO A 83 1.407 0.704 -8.874 1.00 0.00 O ATOM 1205 CB PRO A 83 3.655 -0.299 -7.079 1.00 0.00 C ATOM 1206 CG PRO A 83 3.459 -1.596 -7.786 1.00 0.00 C ATOM 1207 CD PRO A 83 2.270 -2.247 -7.134 1.00 0.00 C ATOM 0 HA PRO A 83 2.200 0.705 -5.755 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.142 0.433 -7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.287 -0.420 -6.199 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.283 -1.438 -8.850 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.345 -2.225 -7.700 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.695 -2.838 -7.846 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.570 -2.920 -6.331 1.00 0.00 H new ATOM 1215 N ALA A 84 1.520 2.367 -7.364 1.00 0.00 N ATOM 1216 CA ALA A 84 0.996 3.377 -8.275 1.00 0.00 C ATOM 1217 C ALA A 84 1.922 3.573 -9.470 1.00 0.00 C ATOM 1218 O ALA A 84 1.593 4.297 -10.410 1.00 0.00 O ATOM 1219 CB ALA A 84 0.792 4.695 -7.541 1.00 0.00 C ATOM 0 H ALA A 84 1.743 2.715 -6.431 1.00 0.00 H new ATOM 0 HA ALA A 84 0.033 3.029 -8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.400 5.440 -8.233 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.084 4.551 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.745 5.039 -7.139 1.00 0.00 H new ATOM 1225 N ASP A 85 3.080 2.924 -9.428 1.00 0.00 N ATOM 1226 CA ASP A 85 4.054 3.026 -10.508 1.00 0.00 C ATOM 1227 C ASP A 85 3.903 1.866 -11.487 1.00 0.00 C ATOM 1228 O ASP A 85 3.977 2.052 -12.702 1.00 0.00 O ATOM 1229 CB ASP A 85 5.475 3.051 -9.942 1.00 0.00 C ATOM 1230 CG ASP A 85 5.701 4.214 -8.996 1.00 0.00 C ATOM 1231 OD1 ASP A 85 5.154 5.306 -9.256 1.00 0.00 O ATOM 1232 OD2 ASP A 85 6.424 4.031 -7.994 1.00 0.00 O ATOM 0 H ASP A 85 3.367 2.321 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 85 3.869 3.957 -11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.670 2.116 -9.417 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.189 3.110 -10.763 1.00 0.00 H new ATOM 1237 N SER A 86 3.692 0.668 -10.950 1.00 0.00 N ATOM 1238 CA SER A 86 3.536 -0.523 -11.776 1.00 0.00 C ATOM 1239 C SER A 86 2.094 -1.021 -11.744 1.00 0.00 C ATOM 1240 O SER A 86 1.830 -2.205 -11.957 1.00 0.00 O ATOM 1241 CB SER A 86 4.480 -1.628 -11.297 1.00 0.00 C ATOM 1242 OG SER A 86 5.723 -1.566 -11.975 1.00 0.00 O ATOM 0 H SER A 86 3.625 0.497 -9.947 1.00 0.00 H new ATOM 0 HA SER A 86 3.788 -0.259 -12.803 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.643 -1.532 -10.223 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.019 -2.602 -11.464 1.00 0.00 H new ATOM 0 HG SER A 86 6.309 -2.281 -11.650 1.00 0.00 H new ATOM 1248 N ILE A 87 1.166 -0.109 -11.477 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.249 -0.454 -11.419 1.00 0.00 C ATOM 1250 C ILE A 87 -0.596 -1.528 -12.444 1.00 0.00 C ATOM 1251 O ILE A 87 -0.715 -1.247 -13.636 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.140 0.779 -11.663 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.466 2.038 -11.115 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.505 0.580 -11.022 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.432 3.169 -10.838 1.00 0.00 C ATOM 0 H ILE A 87 1.368 0.874 -11.297 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.439 -0.837 -10.416 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.279 0.903 -12.737 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.060 1.787 -10.194 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.284 2.378 -11.829 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.123 1.459 -11.203 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.986 -0.297 -11.455 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.385 0.435 -9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.884 4.029 -10.452 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.941 3.447 -11.761 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.168 2.847 -10.101 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.757 -2.760 -11.970 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.091 -3.877 -12.846 1.00 0.00 C ATOM 1269 C GLN A 88 -2.567 -3.845 -13.229 1.00 0.00 C ATOM 1270 O GLN A 88 -2.968 -4.422 -14.239 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.757 -5.205 -12.164 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.479 -5.408 -10.842 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.793 -6.426 -9.953 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -1.383 -7.440 -9.581 1.00 0.00 O ATOM 1275 NE2 GLN A 88 0.462 -6.160 -9.608 1.00 0.00 N ATOM 0 H GLN A 88 -0.662 -3.009 -10.986 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.496 -3.784 -13.755 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.012 -6.024 -12.837 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.318 -5.256 -11.993 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.541 -4.455 -10.316 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.501 -5.732 -11.037 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.912 -5.307 -9.940 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.975 -6.809 -9.012 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.370 -3.167 -12.416 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.801 -3.059 -12.671 1.00 0.00 C ATOM 1286 C ALA A 89 -5.218 -1.604 -12.852 1.00 0.00 C ATOM 1287 O ALA A 89 -6.361 -1.238 -12.580 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.589 -3.699 -11.537 1.00 0.00 C ATOM 0 H ALA A 89 -3.054 -2.684 -11.575 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.021 -3.590 -13.597 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.656 -3.611 -11.741 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.321 -4.752 -11.457 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.355 -3.193 -10.601 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.283 -0.778 -13.313 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.555 0.638 -13.529 1.00 0.00 C ATOM 1296 C GLU A 90 -5.990 0.850 -14.003 1.00 0.00 C ATOM 1297 O GLU A 90 -6.604 1.877 -13.714 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.577 1.217 -14.553 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.259 0.268 -15.696 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.882 0.505 -16.285 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.387 1.648 -16.197 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.300 -0.454 -16.834 1.00 0.00 O ATOM 0 H GLU A 90 -3.332 -1.065 -13.544 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.424 1.156 -12.579 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.995 2.137 -14.962 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.650 1.485 -14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.325 -0.760 -15.339 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.009 0.383 -16.478 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.517 -0.128 -14.732 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.879 -0.047 -15.247 1.00 0.00 C ATOM 1311 C GLU A 91 -8.804 0.627 -14.238 1.00 0.00 C ATOM 1312 O GLU A 91 -9.745 1.327 -14.613 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.405 -1.444 -15.583 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.660 -2.118 -16.723 1.00 0.00 C ATOM 1315 CD GLU A 91 -8.347 -3.381 -17.204 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -8.317 -4.389 -16.467 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.915 -3.362 -18.316 1.00 0.00 O ATOM 0 H GLU A 91 -6.022 -0.985 -14.979 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.861 0.555 -16.155 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.337 -2.072 -14.695 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.461 -1.372 -15.843 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.568 -1.420 -17.555 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.648 -2.361 -16.397 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.528 0.411 -12.957 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.335 0.998 -11.892 1.00 0.00 C ATOM 1326 C TRP A 92 -9.266 2.520 -11.933 1.00 0.00 C ATOM 1327 O TRP A 92 -10.291 3.199 -11.869 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.865 0.490 -10.529 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.493 0.968 -10.158 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.337 0.241 -10.182 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.136 2.278 -9.705 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.283 1.021 -9.771 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.747 2.275 -9.474 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.854 3.455 -9.474 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.065 3.402 -9.023 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.176 4.572 -9.026 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.793 4.540 -8.805 1.00 0.00 C ATOM 0 H TRP A 92 -7.753 -0.166 -12.630 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.371 0.696 -12.046 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.573 0.812 -9.765 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.874 -0.600 -10.533 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.262 -0.794 -10.480 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.312 0.716 -9.699 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.920 3.490 -9.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.999 3.379 -8.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.722 5.486 -8.843 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.292 5.431 -8.456 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.053 3.051 -12.039 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.851 4.494 -12.086 1.00 0.00 C ATOM 1350 C TYR A 93 -8.167 5.043 -13.474 1.00 0.00 C ATOM 1351 O TYR A 93 -8.611 6.183 -13.617 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.412 4.841 -11.703 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.484 4.974 -12.889 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.671 5.976 -13.834 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.421 4.097 -13.066 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.826 6.100 -14.920 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.570 4.215 -14.148 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.777 5.217 -15.072 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.933 5.338 -16.152 1.00 0.00 O ATOM 0 H TYR A 93 -7.194 2.503 -12.094 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.531 4.954 -11.370 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.410 5.777 -11.144 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.027 4.070 -11.036 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.491 6.669 -13.717 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.257 3.309 -12.345 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.986 6.884 -15.646 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.747 3.526 -14.269 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.325 4.883 -16.926 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.934 4.224 -14.494 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.193 4.627 -15.872 1.00 0.00 C ATOM 1371 C PHE A 94 -9.673 4.933 -16.080 1.00 0.00 C ATOM 1372 O PHE A 94 -10.030 5.936 -16.696 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.746 3.528 -16.839 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.331 3.688 -17.315 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.962 4.785 -18.076 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.369 2.740 -17.003 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.660 4.936 -18.516 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.066 2.886 -17.439 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.711 3.984 -18.198 1.00 0.00 C ATOM 0 H PHE A 94 -7.567 3.278 -14.393 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.622 5.533 -16.073 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.849 2.560 -16.349 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.412 3.521 -17.701 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.700 5.532 -18.329 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.641 1.878 -16.413 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.385 5.797 -19.107 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.325 2.142 -17.186 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.694 4.098 -18.542 1.00 0.00 H new