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 Set 1.1: A 67 SER OG : rot -163:sc= 1.61 USER MOD Set 1.2: A 70 THR OG1 : rot -160:sc= 0.141 USER MOD Single : A 28 THR OG1 : rot 35:sc= 0.22 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 96:sc= -0.622 USER MOD Single : A 40 THR OG1 : rot -54:sc= 0.417 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.118 USER MOD Single : A 47 LYS NZ :NH3+ 159:sc= -0.0766 (180deg=-0.485) USER MOD Single : A 48 LYS NZ :NH3+ -99:sc= 1.18 (180deg=-0.892) USER MOD Single : A 53 GLN : amide:sc= -0.0735 K(o=-0.073,f=-1.6!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 57 ASN : amide:sc= -0.719 X(o=-0.72,f=-0.96!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 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 37:sc= 0.102 USER MOD Single : A 78 SER OG : rot -97:sc= 0.413 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.048) 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 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -85:sc= 0.104! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.701 2.791 -0.896 1.00 0.00 N ATOM 325 CA THR A 28 6.995 2.707 -2.168 1.00 0.00 C ATOM 326 C THR A 28 5.495 2.905 -1.978 1.00 0.00 C ATOM 327 O THR A 28 4.889 2.310 -1.087 1.00 0.00 O ATOM 328 CB THR A 28 7.239 1.352 -2.858 1.00 0.00 C ATOM 329 OG1 THR A 28 8.638 1.049 -2.862 1.00 0.00 O ATOM 330 CG2 THR A 28 6.715 1.369 -4.286 1.00 0.00 C ATOM 0 HA THR A 28 7.387 3.504 -2.800 1.00 0.00 H new ATOM 0 HB THR A 28 6.703 0.584 -2.300 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.047 1.383 -2.037 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.899 0.401 -4.753 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.644 1.570 -4.278 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.226 2.148 -4.852 1.00 0.00 H new ATOM 338 N ILE A 29 4.903 3.744 -2.822 1.00 0.00 N ATOM 339 CA ILE A 29 3.473 4.018 -2.747 1.00 0.00 C ATOM 340 C ILE A 29 2.660 2.845 -3.282 1.00 0.00 C ATOM 341 O ILE A 29 3.000 2.256 -4.309 1.00 0.00 O ATOM 342 CB ILE A 29 3.102 5.288 -3.537 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.487 6.538 -2.744 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.615 5.295 -3.859 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.806 6.632 -1.396 1.00 0.00 C ATOM 0 H ILE A 29 5.391 4.245 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 29 3.235 4.171 -1.694 1.00 0.00 H new ATOM 0 HB ILE A 29 3.657 5.291 -4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.567 6.547 -2.598 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.237 7.422 -3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.368 6.198 -4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.368 4.419 -4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.042 5.273 -2.932 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.126 7.543 -0.890 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.725 6.655 -1.535 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.076 5.766 -0.791 1.00 0.00 H new ATOM 357 N PHE A 30 1.582 2.510 -2.580 1.00 0.00 N ATOM 358 CA PHE A 30 0.718 1.407 -2.984 1.00 0.00 C ATOM 359 C PHE A 30 -0.752 1.769 -2.793 1.00 0.00 C ATOM 360 O PHE A 30 -1.116 2.448 -1.833 1.00 0.00 O ATOM 361 CB PHE A 30 1.054 0.148 -2.182 1.00 0.00 C ATOM 362 CG PHE A 30 2.151 -0.677 -2.791 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.462 -0.231 -2.774 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.870 -1.899 -3.381 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.473 -0.988 -3.335 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.877 -2.661 -3.943 1.00 0.00 C ATOM 367 CZ PHE A 30 4.181 -2.205 -3.920 1.00 0.00 C ATOM 0 H PHE A 30 1.286 2.987 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 30 0.891 1.212 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.346 0.437 -1.172 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.157 -0.465 -2.091 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.697 0.719 -2.317 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.852 -2.260 -3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.491 -0.628 -3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.645 -3.612 -4.400 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.970 -2.798 -4.358 1.00 0.00 H new ATOM 377 N VAL A 31 -1.592 1.311 -3.716 1.00 0.00 N ATOM 378 CA VAL A 31 -3.023 1.585 -3.650 1.00 0.00 C ATOM 379 C VAL A 31 -3.824 0.295 -3.513 1.00 0.00 C ATOM 380 O VAL A 31 -3.454 -0.739 -4.069 1.00 0.00 O ATOM 381 CB VAL A 31 -3.506 2.347 -4.898 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.995 2.125 -5.116 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.193 3.830 -4.771 1.00 0.00 C ATOM 0 H VAL A 31 -1.307 0.749 -4.518 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.187 2.205 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.974 1.960 -5.767 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.318 2.671 -6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.188 1.061 -5.255 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.547 2.483 -4.247 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.541 4.353 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.696 4.234 -3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.117 3.967 -4.667 1.00 0.00 H new ATOM 393 N ALA A 32 -4.924 0.364 -2.770 1.00 0.00 N ATOM 394 CA ALA A 32 -5.779 -0.798 -2.562 1.00 0.00 C ATOM 395 C ALA A 32 -6.855 -0.886 -3.639 1.00 0.00 C ATOM 396 O ALA A 32 -7.712 -0.008 -3.749 1.00 0.00 O ATOM 397 CB ALA A 32 -6.415 -0.744 -1.181 1.00 0.00 C ATOM 0 H ALA A 32 -5.244 1.212 -2.302 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.159 -1.692 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.051 -1.618 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.634 -0.736 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.016 0.161 -1.093 1.00 0.00 H new ATOM 403 N LEU A 33 -6.806 -1.951 -4.432 1.00 0.00 N ATOM 404 CA LEU A 33 -7.776 -2.155 -5.502 1.00 0.00 C ATOM 405 C LEU A 33 -9.057 -2.785 -4.963 1.00 0.00 C ATOM 406 O LEU A 33 -10.153 -2.495 -5.442 1.00 0.00 O ATOM 407 CB LEU A 33 -7.180 -3.040 -6.597 1.00 0.00 C ATOM 408 CG LEU A 33 -5.708 -2.795 -6.932 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.230 -3.780 -7.987 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.501 -1.363 -7.403 1.00 0.00 C ATOM 0 H LEU A 33 -6.104 -2.687 -4.354 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.022 -1.181 -5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.295 -4.082 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.766 -2.903 -7.506 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.118 -2.948 -6.028 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.181 -3.591 -8.213 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.343 -4.797 -7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.824 -3.659 -8.893 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.448 -1.206 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.102 -1.183 -8.294 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.804 -0.673 -6.615 1.00 0.00 H new ATOM 422 N TYR A 34 -8.910 -3.646 -3.962 1.00 0.00 N ATOM 423 CA TYR A 34 -10.054 -4.318 -3.358 1.00 0.00 C ATOM 424 C TYR A 34 -10.195 -3.937 -1.887 1.00 0.00 C ATOM 425 O TYR A 34 -9.208 -3.635 -1.215 1.00 0.00 O ATOM 426 CB TYR A 34 -9.911 -5.835 -3.492 1.00 0.00 C ATOM 427 CG TYR A 34 -9.196 -6.266 -4.752 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.878 -6.373 -5.958 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.840 -6.568 -4.737 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.229 -6.768 -7.113 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.183 -6.962 -5.886 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.882 -7.061 -7.072 1.00 0.00 C ATOM 433 OH TYR A 34 -7.231 -7.454 -8.218 1.00 0.00 O ATOM 0 H TYR A 34 -8.010 -3.895 -3.552 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.952 -3.997 -3.886 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.369 -6.218 -2.627 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.902 -6.288 -3.473 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.933 -6.144 -5.994 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.290 -6.493 -3.811 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.774 -6.847 -8.042 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.128 -7.191 -5.857 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.287 -7.621 -8.017 1.00 0.00 H new ATOM 443 N ASP A 35 -11.428 -3.954 -1.394 1.00 0.00 N ATOM 444 CA ASP A 35 -11.700 -3.613 -0.002 1.00 0.00 C ATOM 445 C ASP A 35 -11.429 -4.803 0.912 1.00 0.00 C ATOM 446 O ASP A 35 -12.027 -5.868 0.756 1.00 0.00 O ATOM 447 CB ASP A 35 -13.149 -3.150 0.158 1.00 0.00 C ATOM 448 CG ASP A 35 -14.135 -4.100 -0.492 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.562 -5.064 0.178 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.482 -3.879 -1.672 1.00 0.00 O ATOM 0 H ASP A 35 -12.255 -4.200 -1.937 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.033 -2.800 0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.383 -3.058 1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.261 -2.158 -0.281 1.00 0.00 H new ATOM 455 N TYR A 36 -10.524 -4.616 1.866 1.00 0.00 N ATOM 456 CA TYR A 36 -10.171 -5.675 2.804 1.00 0.00 C ATOM 457 C TYR A 36 -10.425 -5.236 4.243 1.00 0.00 C ATOM 458 O TYR A 36 -10.340 -4.052 4.565 1.00 0.00 O ATOM 459 CB TYR A 36 -8.704 -6.071 2.631 1.00 0.00 C ATOM 460 CG TYR A 36 -8.244 -7.133 3.604 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.511 -8.476 3.374 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.542 -6.792 4.754 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.094 -9.450 4.260 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.119 -7.759 5.645 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.398 -9.087 5.394 1.00 0.00 C ATOM 466 OH TYR A 36 -6.979 -10.053 6.280 1.00 0.00 O ATOM 0 H TYR A 36 -10.021 -3.740 2.010 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.801 -6.539 2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.551 -6.432 1.614 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.081 -5.185 2.752 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.055 -8.764 2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.324 -5.753 4.954 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.312 -10.490 4.066 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.573 -7.477 6.533 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.048 -10.291 6.089 1.00 0.00 H new ATOM 476 N GLU A 37 -10.736 -6.201 5.103 1.00 0.00 N ATOM 477 CA GLU A 37 -11.002 -5.914 6.508 1.00 0.00 C ATOM 478 C GLU A 37 -10.002 -6.632 7.409 1.00 0.00 C ATOM 479 O GLU A 37 -9.896 -7.858 7.383 1.00 0.00 O ATOM 480 CB GLU A 37 -12.427 -6.332 6.875 1.00 0.00 C ATOM 481 CG GLU A 37 -12.961 -5.646 8.121 1.00 0.00 C ATOM 482 CD GLU A 37 -14.463 -5.790 8.269 1.00 0.00 C ATOM 483 OE1 GLU A 37 -15.199 -5.136 7.500 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.903 -6.555 9.152 1.00 0.00 O ATOM 0 H GLU A 37 -10.810 -7.187 4.852 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.895 -4.840 6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -13.088 -6.111 6.037 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.453 -7.411 7.025 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.471 -6.065 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.703 -4.588 8.087 1.00 0.00 H new ATOM 491 N ALA A 38 -9.269 -5.859 8.203 1.00 0.00 N ATOM 492 CA ALA A 38 -8.278 -6.420 9.113 1.00 0.00 C ATOM 493 C ALA A 38 -8.885 -7.522 9.975 1.00 0.00 C ATOM 494 O ALA A 38 -9.649 -7.249 10.901 1.00 0.00 O ATOM 495 CB ALA A 38 -7.688 -5.326 9.991 1.00 0.00 C ATOM 0 H ALA A 38 -9.343 -4.842 8.235 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.481 -6.860 8.515 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.950 -5.759 10.665 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.209 -4.574 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.482 -4.859 10.574 1.00 0.00 H new ATOM 501 N ARG A 39 -8.541 -8.767 9.664 1.00 0.00 N ATOM 502 CA ARG A 39 -9.055 -9.910 10.409 1.00 0.00 C ATOM 503 C ARG A 39 -8.637 -9.836 11.875 1.00 0.00 C ATOM 504 O ARG A 39 -9.454 -10.032 12.776 1.00 0.00 O ATOM 505 CB ARG A 39 -8.553 -11.217 9.790 1.00 0.00 C ATOM 506 CG ARG A 39 -9.326 -11.640 8.552 1.00 0.00 C ATOM 507 CD ARG A 39 -8.507 -12.577 7.678 1.00 0.00 C ATOM 508 NE ARG A 39 -9.353 -13.474 6.894 1.00 0.00 N ATOM 509 CZ ARG A 39 -9.900 -14.582 7.382 1.00 0.00 C ATOM 510 NH1 ARG A 39 -9.691 -14.927 8.645 1.00 0.00 N ATOM 511 NH2 ARG A 39 -10.658 -15.346 6.607 1.00 0.00 N ATOM 0 H ARG A 39 -7.909 -9.010 8.901 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.144 -9.886 10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.500 -11.105 9.530 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.615 -12.010 10.535 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.251 -12.134 8.850 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.607 -10.757 7.978 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.880 -11.991 7.006 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.838 -13.166 8.306 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.533 -13.236 5.919 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -9.109 -14.341 9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.112 -15.778 9.018 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.822 -15.083 5.635 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.077 -16.196 6.983 1.00 0.00 H new ATOM 525 N THR A 40 -7.359 -9.552 12.107 1.00 0.00 N ATOM 526 CA THR A 40 -6.832 -9.453 13.462 1.00 0.00 C ATOM 527 C THR A 40 -6.016 -8.179 13.643 1.00 0.00 C ATOM 528 O THR A 40 -5.451 -7.649 12.685 1.00 0.00 O ATOM 529 CB THR A 40 -5.952 -10.667 13.813 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.703 -10.584 13.117 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.655 -11.967 13.450 1.00 0.00 C ATOM 0 H THR A 40 -6.670 -9.387 11.373 1.00 0.00 H new ATOM 0 HA THR A 40 -7.690 -9.430 14.133 1.00 0.00 H new ATOM 0 HB THR A 40 -5.770 -10.658 14.888 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.870 -10.483 12.157 1.00 0.00 H new ATOM 0 HG21 THR A 40 -6.015 -12.811 13.707 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.592 -12.041 14.003 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.863 -11.982 12.380 1.00 0.00 H new ATOM 539 N THR A 41 -5.955 -7.690 14.878 1.00 0.00 N ATOM 540 CA THR A 41 -5.207 -6.477 15.185 1.00 0.00 C ATOM 541 C THR A 41 -3.868 -6.459 14.457 1.00 0.00 C ATOM 542 O THR A 41 -3.317 -5.394 14.180 1.00 0.00 O ATOM 543 CB THR A 41 -4.958 -6.338 16.698 1.00 0.00 C ATOM 544 OG1 THR A 41 -4.261 -5.117 16.970 1.00 0.00 O ATOM 545 CG2 THR A 41 -4.152 -7.516 17.225 1.00 0.00 C ATOM 0 H THR A 41 -6.415 -8.116 15.682 1.00 0.00 H new ATOM 0 HA THR A 41 -5.813 -5.637 14.846 1.00 0.00 H new ATOM 0 HB THR A 41 -5.924 -6.325 17.203 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.108 -5.036 17.935 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.989 -7.395 18.296 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.699 -8.441 17.043 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.190 -7.557 16.714 1.00 0.00 H new ATOM 553 N GLU A 42 -3.350 -7.644 14.150 1.00 0.00 N ATOM 554 CA GLU A 42 -2.074 -7.762 13.454 1.00 0.00 C ATOM 555 C GLU A 42 -2.197 -7.287 12.009 1.00 0.00 C ATOM 556 O GLU A 42 -1.312 -6.605 11.491 1.00 0.00 O ATOM 557 CB GLU A 42 -1.582 -9.210 13.487 1.00 0.00 C ATOM 558 CG GLU A 42 -1.646 -9.844 14.866 1.00 0.00 C ATOM 559 CD GLU A 42 -0.597 -10.920 15.063 1.00 0.00 C ATOM 560 OE1 GLU A 42 -0.366 -11.704 14.119 1.00 0.00 O ATOM 561 OE2 GLU A 42 -0.007 -10.979 16.162 1.00 0.00 O ATOM 0 H GLU A 42 -3.794 -8.535 14.372 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.350 -7.129 13.966 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.180 -9.804 12.795 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.553 -9.243 13.129 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.515 -9.071 15.623 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.636 -10.275 15.018 1.00 0.00 H new ATOM 568 N ASP A 43 -3.299 -7.654 11.364 1.00 0.00 N ATOM 569 CA ASP A 43 -3.538 -7.266 9.978 1.00 0.00 C ATOM 570 C ASP A 43 -3.902 -5.788 9.883 1.00 0.00 C ATOM 571 O ASP A 43 -4.402 -5.197 10.842 1.00 0.00 O ATOM 572 CB ASP A 43 -4.655 -8.119 9.374 1.00 0.00 C ATOM 573 CG ASP A 43 -4.255 -9.573 9.222 1.00 0.00 C ATOM 574 OD1 ASP A 43 -4.152 -10.271 10.252 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.045 -10.014 8.072 1.00 0.00 O ATOM 0 H ASP A 43 -4.040 -8.219 11.778 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.619 -7.432 9.416 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.541 -8.053 10.006 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.929 -7.717 8.399 1.00 0.00 H new ATOM 580 N LEU A 44 -3.647 -5.195 8.722 1.00 0.00 N ATOM 581 CA LEU A 44 -3.947 -3.784 8.501 1.00 0.00 C ATOM 582 C LEU A 44 -5.293 -3.616 7.805 1.00 0.00 C ATOM 583 O LEU A 44 -5.571 -4.271 6.801 1.00 0.00 O ATOM 584 CB LEU A 44 -2.843 -3.133 7.665 1.00 0.00 C ATOM 585 CG LEU A 44 -2.588 -1.649 7.930 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.650 -1.073 6.881 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.900 -0.879 7.955 1.00 0.00 C ATOM 0 H LEU A 44 -3.233 -5.669 7.919 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.997 -3.292 9.472 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.915 -3.677 7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.093 -3.256 6.611 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.113 -1.550 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.480 -0.016 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.700 -1.606 6.911 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.097 -1.184 5.893 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.699 0.175 8.145 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.403 -0.985 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.539 -1.275 8.744 1.00 0.00 H new ATOM 599 N SER A 45 -6.126 -2.732 8.345 1.00 0.00 N ATOM 600 CA SER A 45 -7.445 -2.478 7.777 1.00 0.00 C ATOM 601 C SER A 45 -7.374 -1.403 6.697 1.00 0.00 C ATOM 602 O SER A 45 -7.068 -0.243 6.978 1.00 0.00 O ATOM 603 CB SER A 45 -8.423 -2.051 8.874 1.00 0.00 C ATOM 604 OG SER A 45 -7.918 -0.947 9.606 1.00 0.00 O ATOM 0 H SER A 45 -5.911 -2.180 9.175 1.00 0.00 H new ATOM 0 HA SER A 45 -7.801 -3.402 7.322 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.382 -1.788 8.428 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.604 -2.887 9.550 1.00 0.00 H new ATOM 0 HG SER A 45 -8.562 -0.692 10.300 1.00 0.00 H new ATOM 610 N PHE A 46 -7.658 -1.795 5.460 1.00 0.00 N ATOM 611 CA PHE A 46 -7.626 -0.867 4.336 1.00 0.00 C ATOM 612 C PHE A 46 -8.858 -1.038 3.453 1.00 0.00 C ATOM 613 O PHE A 46 -9.520 -2.076 3.486 1.00 0.00 O ATOM 614 CB PHE A 46 -6.357 -1.079 3.508 1.00 0.00 C ATOM 615 CG PHE A 46 -6.164 -2.500 3.061 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.631 -3.445 3.923 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.515 -2.891 1.779 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.452 -4.753 3.514 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.338 -4.197 1.364 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.807 -5.130 2.233 1.00 0.00 C ATOM 0 H PHE A 46 -7.913 -2.750 5.210 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.626 0.147 4.735 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.392 -0.432 2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.493 -0.771 4.097 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.352 -3.156 4.926 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.932 -2.166 1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.035 -5.480 4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.615 -4.488 0.361 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.670 -6.152 1.912 1.00 0.00 H new ATOM 630 N LYS A 47 -9.160 -0.013 2.664 1.00 0.00 N ATOM 631 CA LYS A 47 -10.312 -0.048 1.770 1.00 0.00 C ATOM 632 C LYS A 47 -9.903 0.298 0.342 1.00 0.00 C ATOM 633 O LYS A 47 -8.846 0.887 0.113 1.00 0.00 O ATOM 634 CB LYS A 47 -11.389 0.925 2.254 1.00 0.00 C ATOM 635 CG LYS A 47 -11.943 0.585 3.627 1.00 0.00 C ATOM 636 CD LYS A 47 -12.861 -0.624 3.574 1.00 0.00 C ATOM 637 CE LYS A 47 -13.699 -0.744 4.838 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.639 0.401 4.991 1.00 0.00 N ATOM 0 H LYS A 47 -8.623 0.853 2.625 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.716 -1.060 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.973 1.932 2.279 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.207 0.936 1.534 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.120 0.388 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.490 1.441 4.022 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.517 -0.546 2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.266 -1.528 3.443 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.263 -1.676 4.812 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.042 -0.793 5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.414 0.131 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.131 1.216 5.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.029 0.657 4.061 1.00 0.00 H new ATOM 652 N LYS A 48 -10.747 -0.069 -0.616 1.00 0.00 N ATOM 653 CA LYS A 48 -10.476 0.205 -2.022 1.00 0.00 C ATOM 654 C LYS A 48 -10.301 1.702 -2.261 1.00 0.00 C ATOM 655 O LYS A 48 -11.213 2.490 -2.016 1.00 0.00 O ATOM 656 CB LYS A 48 -11.612 -0.332 -2.896 1.00 0.00 C ATOM 657 CG LYS A 48 -11.554 0.154 -4.334 1.00 0.00 C ATOM 658 CD LYS A 48 -12.445 -0.679 -5.240 1.00 0.00 C ATOM 659 CE LYS A 48 -12.273 -0.292 -6.701 1.00 0.00 C ATOM 660 NZ LYS A 48 -11.068 -0.926 -7.304 1.00 0.00 N ATOM 0 H LYS A 48 -11.626 -0.558 -0.444 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.548 -0.299 -2.292 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.582 -1.422 -2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.566 -0.036 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.863 1.198 -4.379 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.526 0.110 -4.693 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.209 -1.735 -5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.487 -0.547 -4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.159 -0.589 -7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.192 0.792 -6.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.284 -0.243 -7.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.796 -1.758 -6.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.282 -1.221 -8.278 1.00 0.00 H new ATOM 674 N GLY A 49 -9.122 2.086 -2.741 1.00 0.00 N ATOM 675 CA GLY A 49 -8.850 3.486 -3.006 1.00 0.00 C ATOM 676 C GLY A 49 -8.088 4.152 -1.877 1.00 0.00 C ATOM 677 O GLY A 49 -8.112 5.375 -1.741 1.00 0.00 O ATOM 0 H GLY A 49 -8.351 1.452 -2.951 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.276 3.573 -3.929 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.791 4.012 -3.165 1.00 0.00 H new ATOM 681 N GLU A 50 -7.411 3.346 -1.066 1.00 0.00 N ATOM 682 CA GLU A 50 -6.641 3.866 0.059 1.00 0.00 C ATOM 683 C GLU A 50 -5.153 3.585 -0.126 1.00 0.00 C ATOM 684 O GLU A 50 -4.760 2.479 -0.495 1.00 0.00 O ATOM 685 CB GLU A 50 -7.130 3.247 1.370 1.00 0.00 C ATOM 686 CG GLU A 50 -6.828 4.095 2.593 1.00 0.00 C ATOM 687 CD GLU A 50 -7.277 3.439 3.884 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.321 2.754 3.870 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.584 3.610 4.909 1.00 0.00 O ATOM 0 H GLU A 50 -7.380 2.331 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.787 4.945 0.099 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.206 3.086 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.668 2.268 1.494 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.756 4.287 2.641 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.321 5.062 2.491 1.00 0.00 H new ATOM 696 N ARG A 51 -4.330 4.596 0.134 1.00 0.00 N ATOM 697 CA ARG A 51 -2.885 4.459 -0.004 1.00 0.00 C ATOM 698 C ARG A 51 -2.249 4.042 1.319 1.00 0.00 C ATOM 699 O ARG A 51 -2.874 4.132 2.376 1.00 0.00 O ATOM 700 CB ARG A 51 -2.271 5.776 -0.485 1.00 0.00 C ATOM 701 CG ARG A 51 -2.643 6.135 -1.914 1.00 0.00 C ATOM 702 CD ARG A 51 -1.655 7.123 -2.515 1.00 0.00 C ATOM 703 NE ARG A 51 -2.118 7.648 -3.797 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.580 8.706 -4.395 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.567 9.347 -3.830 1.00 0.00 N ATOM 706 NH2 ARG A 51 -2.057 9.124 -5.561 1.00 0.00 N ATOM 0 H ARG A 51 -4.639 5.518 0.441 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.687 3.682 -0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.591 6.580 0.178 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.186 5.711 -0.406 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.671 5.231 -2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.645 6.563 -1.934 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.499 7.948 -1.820 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.690 6.634 -2.650 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.896 7.177 -4.258 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.198 9.029 -2.934 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.156 10.159 -4.291 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -2.837 8.633 -5.998 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.644 9.936 -6.020 1.00 0.00 H new ATOM 720 N PHE A 52 -1.003 3.585 1.252 1.00 0.00 N ATOM 721 CA PHE A 52 -0.283 3.152 2.444 1.00 0.00 C ATOM 722 C PHE A 52 1.223 3.144 2.196 1.00 0.00 C ATOM 723 O PHE A 52 1.679 2.835 1.096 1.00 0.00 O ATOM 724 CB PHE A 52 -0.748 1.758 2.869 1.00 0.00 C ATOM 725 CG PHE A 52 -2.238 1.644 3.021 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.043 1.392 1.922 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.834 1.789 4.263 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.414 1.286 2.058 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.205 1.684 4.406 1.00 0.00 C ATOM 730 CZ PHE A 52 -4.996 1.434 3.302 1.00 0.00 C ATOM 0 H PHE A 52 -0.471 3.505 0.385 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.499 3.859 3.245 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.409 1.030 2.132 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.273 1.498 3.815 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.593 1.277 0.947 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.221 1.986 5.130 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.030 1.088 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.657 1.797 5.380 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.068 1.354 3.411 1.00 0.00 H new ATOM 740 N GLN A 53 1.988 3.487 3.228 1.00 0.00 N ATOM 741 CA GLN A 53 3.442 3.521 3.122 1.00 0.00 C ATOM 742 C GLN A 53 4.043 2.159 3.452 1.00 0.00 C ATOM 743 O GLN A 53 3.999 1.712 4.599 1.00 0.00 O ATOM 744 CB GLN A 53 4.018 4.586 4.057 1.00 0.00 C ATOM 745 CG GLN A 53 4.053 5.977 3.445 1.00 0.00 C ATOM 746 CD GLN A 53 4.211 7.068 4.486 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.864 6.884 5.653 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.736 8.214 4.068 1.00 0.00 N ATOM 0 H GLN A 53 1.625 3.745 4.146 1.00 0.00 H new ATOM 0 HA GLN A 53 3.701 3.773 2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.425 4.615 4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.030 4.298 4.343 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.877 6.036 2.734 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.134 6.146 2.883 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.010 8.323 3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.865 8.985 4.723 1.00 0.00 H new ATOM 757 N ILE A 54 4.604 1.504 2.441 1.00 0.00 N ATOM 758 CA ILE A 54 5.215 0.194 2.625 1.00 0.00 C ATOM 759 C ILE A 54 6.448 0.282 3.517 1.00 0.00 C ATOM 760 O ILE A 54 7.506 0.745 3.087 1.00 0.00 O ATOM 761 CB ILE A 54 5.614 -0.436 1.277 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.420 -0.446 0.320 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.143 -1.846 1.487 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.248 -1.258 0.825 1.00 0.00 C ATOM 0 H ILE A 54 4.648 1.859 1.486 1.00 0.00 H new ATOM 0 HA ILE A 54 4.467 -0.438 3.105 1.00 0.00 H new ATOM 0 HB ILE A 54 6.407 0.166 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.094 0.580 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.740 -0.844 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.421 -2.277 0.525 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.018 -1.813 2.136 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.370 -2.459 1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.438 -1.220 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.558 -2.293 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.902 -0.847 1.773 1.00 0.00 H new ATOM 776 N ILE A 55 6.306 -0.166 4.759 1.00 0.00 N ATOM 777 CA ILE A 55 7.410 -0.140 5.711 1.00 0.00 C ATOM 778 C ILE A 55 8.338 -1.333 5.509 1.00 0.00 C ATOM 779 O ILE A 55 9.560 -1.185 5.490 1.00 0.00 O ATOM 780 CB ILE A 55 6.901 -0.141 7.164 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.839 0.944 7.356 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.057 0.066 8.131 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.852 0.636 8.460 1.00 0.00 C ATOM 0 H ILE A 55 5.438 -0.551 5.130 1.00 0.00 H new ATOM 0 HA ILE A 55 7.962 0.782 5.529 1.00 0.00 H new ATOM 0 HB ILE A 55 6.447 -1.110 7.373 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.334 1.890 7.576 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.295 1.078 6.421 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.681 0.063 9.154 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.782 -0.738 8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.538 1.022 7.924 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.129 1.448 8.539 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.330 -0.293 8.233 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.384 0.531 9.405 1.00 0.00 H new ATOM 795 N ASN A 56 7.750 -2.515 5.357 1.00 0.00 N ATOM 796 CA ASN A 56 8.524 -3.734 5.155 1.00 0.00 C ATOM 797 C ASN A 56 7.848 -4.645 4.135 1.00 0.00 C ATOM 798 O ASN A 56 6.660 -4.946 4.248 1.00 0.00 O ATOM 799 CB ASN A 56 8.700 -4.476 6.481 1.00 0.00 C ATOM 800 CG ASN A 56 9.989 -5.274 6.529 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.487 -5.733 5.501 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.535 -5.444 7.728 1.00 0.00 N ATOM 0 H ASN A 56 6.740 -2.654 5.370 1.00 0.00 H new ATOM 0 HA ASN A 56 9.504 -3.453 4.771 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.690 -3.758 7.301 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.854 -5.147 6.634 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.402 -5.973 7.823 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.087 -5.046 8.553 1.00 0.00 H new ATOM 809 N ASN A 57 8.613 -5.081 3.140 1.00 0.00 N ATOM 810 CA ASN A 57 8.088 -5.958 2.099 1.00 0.00 C ATOM 811 C ASN A 57 8.945 -7.212 1.962 1.00 0.00 C ATOM 812 O ASN A 57 9.245 -7.654 0.852 1.00 0.00 O ATOM 813 CB ASN A 57 8.028 -5.218 0.761 1.00 0.00 C ATOM 814 CG ASN A 57 9.374 -4.649 0.355 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.376 -5.364 0.317 1.00 0.00 O ATOM 816 ND2 ASN A 57 9.403 -3.358 0.048 1.00 0.00 N ATOM 0 H ASN A 57 9.599 -4.842 3.032 1.00 0.00 H new ATOM 0 HA ASN A 57 7.080 -6.258 2.385 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.676 -5.900 -0.013 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.300 -4.410 0.828 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.280 -2.920 -0.233 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.548 -2.804 0.093 1.00 0.00 H new ATOM 823 N THR A 58 9.336 -7.782 3.097 1.00 0.00 N ATOM 824 CA THR A 58 10.159 -8.985 3.104 1.00 0.00 C ATOM 825 C THR A 58 9.378 -10.189 2.589 1.00 0.00 C ATOM 826 O THR A 58 9.849 -10.919 1.718 1.00 0.00 O ATOM 827 CB THR A 58 10.687 -9.297 4.517 1.00 0.00 C ATOM 828 OG1 THR A 58 11.457 -10.504 4.498 1.00 0.00 O ATOM 829 CG2 THR A 58 9.539 -9.437 5.505 1.00 0.00 C ATOM 0 H THR A 58 9.096 -7.430 4.024 1.00 0.00 H new ATOM 0 HA THR A 58 11.004 -8.793 2.443 1.00 0.00 H new ATOM 0 HB THR A 58 11.320 -8.469 4.835 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.790 -10.694 5.400 1.00 0.00 H new ATOM 0 HG21 THR A 58 9.936 -9.657 6.496 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.973 -8.506 5.540 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.883 -10.248 5.189 1.00 0.00 H new ATOM 837 N GLU A 59 8.182 -10.390 3.134 1.00 0.00 N ATOM 838 CA GLU A 59 7.336 -11.506 2.729 1.00 0.00 C ATOM 839 C GLU A 59 6.178 -11.023 1.860 1.00 0.00 C ATOM 840 O GLU A 59 5.383 -10.183 2.277 1.00 0.00 O ATOM 841 CB GLU A 59 6.795 -12.237 3.959 1.00 0.00 C ATOM 842 CG GLU A 59 6.037 -11.336 4.919 1.00 0.00 C ATOM 843 CD GLU A 59 5.695 -12.029 6.223 1.00 0.00 C ATOM 844 OE1 GLU A 59 6.600 -12.650 6.819 1.00 0.00 O ATOM 845 OE2 GLU A 59 4.523 -11.951 6.648 1.00 0.00 O ATOM 0 H GLU A 59 7.778 -9.795 3.857 1.00 0.00 H new ATOM 0 HA GLU A 59 7.944 -12.196 2.144 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.136 -13.041 3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.626 -12.701 4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.636 -10.450 5.129 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.119 -10.994 4.442 1.00 0.00 H new ATOM 852 N GLY A 60 6.091 -11.562 0.647 1.00 0.00 N ATOM 853 CA GLY A 60 5.029 -11.175 -0.262 1.00 0.00 C ATOM 854 C GLY A 60 3.650 -11.391 0.331 1.00 0.00 C ATOM 855 O GLY A 60 2.781 -10.524 0.230 1.00 0.00 O ATOM 0 H GLY A 60 6.737 -12.260 0.278 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.147 -10.124 -0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.118 -11.748 -1.185 1.00 0.00 H new ATOM 859 N ASP A 61 3.449 -12.549 0.949 1.00 0.00 N ATOM 860 CA ASP A 61 2.166 -12.876 1.560 1.00 0.00 C ATOM 861 C ASP A 61 1.517 -11.633 2.161 1.00 0.00 C ATOM 862 O ASP A 61 0.360 -11.325 1.873 1.00 0.00 O ATOM 863 CB ASP A 61 2.349 -13.944 2.641 1.00 0.00 C ATOM 864 CG ASP A 61 3.129 -15.144 2.142 1.00 0.00 C ATOM 865 OD1 ASP A 61 2.519 -16.022 1.497 1.00 0.00 O ATOM 866 OD2 ASP A 61 4.350 -15.205 2.396 1.00 0.00 O ATOM 0 H ASP A 61 4.158 -13.277 1.040 1.00 0.00 H new ATOM 0 HA ASP A 61 1.510 -13.266 0.782 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.867 -13.507 3.495 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.371 -14.271 2.994 1.00 0.00 H new ATOM 871 N TRP A 62 2.268 -10.925 2.996 1.00 0.00 N ATOM 872 CA TRP A 62 1.765 -9.716 3.638 1.00 0.00 C ATOM 873 C TRP A 62 2.892 -8.716 3.874 1.00 0.00 C ATOM 874 O TRP A 62 3.963 -9.077 4.360 1.00 0.00 O ATOM 875 CB TRP A 62 1.088 -10.062 4.965 1.00 0.00 C ATOM 876 CG TRP A 62 0.021 -11.106 4.833 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.205 -12.445 4.636 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.394 -10.897 4.887 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.011 -13.081 4.564 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.008 -12.153 4.715 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.202 -9.771 5.065 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.391 -12.312 4.716 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.575 -9.930 5.065 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.158 -11.193 4.892 1.00 0.00 C ATOM 0 H TRP A 62 3.227 -11.167 3.245 1.00 0.00 H new ATOM 0 HA TRP A 62 1.032 -9.259 2.973 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.843 -10.411 5.670 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.651 -9.158 5.388 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.165 -12.932 4.550 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.149 -14.081 4.421 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.762 -8.794 5.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.842 -13.284 4.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.209 -9.067 5.201 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.234 -11.284 4.898 1.00 0.00 H new ATOM 895 N TRP A 63 2.643 -7.458 3.526 1.00 0.00 N ATOM 896 CA TRP A 63 3.637 -6.406 3.701 1.00 0.00 C ATOM 897 C TRP A 63 3.219 -5.438 4.802 1.00 0.00 C ATOM 898 O TRP A 63 2.041 -5.106 4.933 1.00 0.00 O ATOM 899 CB TRP A 63 3.842 -5.647 2.388 1.00 0.00 C ATOM 900 CG TRP A 63 4.504 -6.469 1.324 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.322 -7.547 1.510 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.405 -6.278 -0.092 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.737 -8.037 0.296 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.188 -7.277 -0.702 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.730 -5.362 -0.902 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.314 -7.383 -2.085 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.855 -5.468 -2.274 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.642 -6.473 -2.855 1.00 0.00 C ATOM 0 H TRP A 63 1.762 -7.142 3.121 1.00 0.00 H new ATOM 0 HA TRP A 63 4.577 -6.874 3.993 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.875 -5.302 2.021 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.446 -4.760 2.580 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.601 -7.954 2.471 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.354 -8.838 0.160 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.121 -4.585 -0.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.920 -8.156 -2.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.338 -4.765 -2.910 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.719 -6.530 -3.931 1.00 0.00 H new ATOM 919 N GLU A 64 4.190 -4.989 5.590 1.00 0.00 N ATOM 920 CA GLU A 64 3.920 -4.060 6.681 1.00 0.00 C ATOM 921 C GLU A 64 3.929 -2.618 6.181 1.00 0.00 C ATOM 922 O GLU A 64 4.964 -2.103 5.759 1.00 0.00 O ATOM 923 CB GLU A 64 4.954 -4.232 7.795 1.00 0.00 C ATOM 924 CG GLU A 64 4.643 -3.424 9.044 1.00 0.00 C ATOM 925 CD GLU A 64 5.336 -3.968 10.278 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.585 -3.967 10.307 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.630 -4.395 11.215 1.00 0.00 O ATOM 0 H GLU A 64 5.170 -5.253 5.494 1.00 0.00 H new ATOM 0 HA GLU A 64 2.930 -4.283 7.078 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.017 -5.287 8.061 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.934 -3.940 7.418 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.947 -2.389 8.888 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.566 -3.418 9.210 1.00 0.00 H new ATOM 934 N ALA A 65 2.769 -1.973 6.233 1.00 0.00 N ATOM 935 CA ALA A 65 2.642 -0.590 5.787 1.00 0.00 C ATOM 936 C ALA A 65 1.892 0.251 6.814 1.00 0.00 C ATOM 937 O ALA A 65 1.250 -0.284 7.718 1.00 0.00 O ATOM 938 CB ALA A 65 1.940 -0.533 4.439 1.00 0.00 C ATOM 0 H ALA A 65 1.903 -2.385 6.580 1.00 0.00 H new ATOM 0 HA ALA A 65 3.644 -0.175 5.679 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.852 0.505 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.518 -1.092 3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.946 -0.971 4.528 1.00 0.00 H new ATOM 944 N ARG A 66 1.977 1.569 6.668 1.00 0.00 N ATOM 945 CA ARG A 66 1.307 2.484 7.584 1.00 0.00 C ATOM 946 C ARG A 66 0.476 3.509 6.818 1.00 0.00 C ATOM 947 O ARG A 66 1.019 4.428 6.203 1.00 0.00 O ATOM 948 CB ARG A 66 2.333 3.199 8.466 1.00 0.00 C ATOM 949 CG ARG A 66 1.715 4.198 9.431 1.00 0.00 C ATOM 950 CD ARG A 66 2.779 5.048 10.108 1.00 0.00 C ATOM 951 NE ARG A 66 3.261 4.438 11.344 1.00 0.00 N ATOM 952 CZ ARG A 66 2.558 4.404 12.471 1.00 0.00 C ATOM 953 NH1 ARG A 66 1.347 4.941 12.516 1.00 0.00 N ATOM 954 NH2 ARG A 66 3.065 3.830 13.554 1.00 0.00 N ATOM 0 H ARG A 66 2.503 2.027 5.924 1.00 0.00 H new ATOM 0 HA ARG A 66 0.639 1.900 8.217 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.892 2.456 9.034 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.049 3.718 7.829 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.020 4.843 8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.137 3.666 10.187 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.616 5.193 9.425 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.370 6.035 10.326 1.00 0.00 H new ATOM 0 HE ARG A 66 4.189 4.014 11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.953 5.381 11.685 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.809 4.914 13.382 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.996 3.414 13.522 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.524 3.805 14.418 1.00 0.00 H new ATOM 968 N SER A 67 -0.842 3.346 6.859 1.00 0.00 N ATOM 969 CA SER A 67 -1.747 4.254 6.165 1.00 0.00 C ATOM 970 C SER A 67 -1.260 5.696 6.276 1.00 0.00 C ATOM 971 O SER A 67 -0.747 6.111 7.315 1.00 0.00 O ATOM 972 CB SER A 67 -3.161 4.136 6.739 1.00 0.00 C ATOM 973 OG SER A 67 -3.884 5.342 6.565 1.00 0.00 O ATOM 0 H SER A 67 -1.307 2.593 7.366 1.00 0.00 H new ATOM 0 HA SER A 67 -1.765 3.975 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.689 3.318 6.249 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.107 3.890 7.800 1.00 0.00 H new ATOM 0 HG SER A 67 -4.665 5.343 7.156 1.00 0.00 H new ATOM 979 N ILE A 68 -1.425 6.453 5.196 1.00 0.00 N ATOM 980 CA ILE A 68 -1.003 7.848 5.172 1.00 0.00 C ATOM 981 C ILE A 68 -2.170 8.781 5.477 1.00 0.00 C ATOM 982 O ILE A 68 -1.983 9.866 6.026 1.00 0.00 O ATOM 983 CB ILE A 68 -0.399 8.230 3.807 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.500 7.104 3.290 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.382 9.530 3.918 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.953 7.301 1.860 1.00 0.00 C ATOM 0 H ILE A 68 -1.847 6.124 4.328 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.240 7.960 5.942 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.211 8.377 3.095 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.377 7.026 3.933 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.036 6.158 3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.802 9.786 2.945 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.284 10.328 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.188 9.409 4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.586 6.466 1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.082 7.349 1.206 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.517 8.230 1.782 1.00 0.00 H new ATOM 998 N ALA A 69 -3.375 8.349 5.119 1.00 0.00 N ATOM 999 CA ALA A 69 -4.573 9.143 5.358 1.00 0.00 C ATOM 1000 C ALA A 69 -5.039 9.013 6.804 1.00 0.00 C ATOM 1001 O ALA A 69 -5.101 9.998 7.540 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.683 8.725 4.404 1.00 0.00 C ATOM 0 H ALA A 69 -3.547 7.453 4.662 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.327 10.189 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.572 9.327 4.594 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.355 8.877 3.376 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.918 7.672 4.558 1.00 0.00 H new ATOM 1008 N THR A 70 -5.367 7.789 7.207 1.00 0.00 N ATOM 1009 CA THR A 70 -5.829 7.529 8.565 1.00 0.00 C ATOM 1010 C THR A 70 -4.663 7.494 9.545 1.00 0.00 C ATOM 1011 O THR A 70 -4.705 8.128 10.599 1.00 0.00 O ATOM 1012 CB THR A 70 -6.598 6.197 8.651 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.772 5.123 8.189 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.874 6.254 7.825 1.00 0.00 C ATOM 0 H THR A 70 -5.321 6.962 6.612 1.00 0.00 H new ATOM 0 HA THR A 70 -6.500 8.345 8.833 1.00 0.00 H new ATOM 0 HB THR A 70 -6.866 6.025 9.693 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.335 4.359 7.944 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.400 5.302 7.901 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.514 7.053 8.199 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.624 6.448 6.782 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.620 6.749 9.191 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.456 6.646 10.052 1.00 0.00 C ATOM 1024 C GLY A 71 -2.344 5.288 10.716 1.00 0.00 C ATOM 1025 O GLY A 71 -1.544 5.100 11.632 1.00 0.00 O ATOM 0 H GLY A 71 -3.560 6.215 8.324 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.557 6.836 9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.506 7.419 10.819 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.150 4.337 10.254 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.139 2.989 10.809 1.00 0.00 C ATOM 1031 C LYS A 72 -1.864 2.249 10.416 1.00 0.00 C ATOM 1032 O LYS A 72 -1.044 2.765 9.657 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.364 2.207 10.328 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.683 2.894 10.635 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.848 1.921 10.566 1.00 0.00 C ATOM 1036 CE LYS A 72 -8.128 2.615 10.126 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.817 3.283 11.265 1.00 0.00 N ATOM 0 H LYS A 72 -3.819 4.476 9.497 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.171 3.070 11.896 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.286 2.052 9.252 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.361 1.221 10.793 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.639 3.341 11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.844 3.707 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.611 1.117 9.870 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.999 1.462 11.543 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.895 3.354 9.359 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.799 1.885 9.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.684 3.744 10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.062 2.575 11.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.186 3.997 11.682 1.00 0.00 H new ATOM 1051 N SER A 73 -1.705 1.036 10.936 1.00 0.00 N ATOM 1052 CA SER A 73 -0.529 0.226 10.641 1.00 0.00 C ATOM 1053 C SER A 73 -0.831 -1.258 10.827 1.00 0.00 C ATOM 1054 O SER A 73 -1.584 -1.643 11.720 1.00 0.00 O ATOM 1055 CB SER A 73 0.638 0.637 11.540 1.00 0.00 C ATOM 1056 OG SER A 73 0.262 0.616 12.906 1.00 0.00 O ATOM 0 H SER A 73 -2.376 0.593 11.564 1.00 0.00 H new ATOM 0 HA SER A 73 -0.253 0.395 9.600 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.479 -0.038 11.381 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.976 1.637 11.268 1.00 0.00 H new ATOM 0 HG SER A 73 1.026 0.881 13.460 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.236 -2.088 9.975 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.453 -3.520 10.061 1.00 0.00 C ATOM 1064 C GLY A 74 0.187 -4.273 8.912 1.00 0.00 C ATOM 1065 O GLY A 74 1.267 -3.909 8.446 1.00 0.00 O ATOM 0 H GLY A 74 0.392 -1.794 9.227 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.049 -3.890 11.003 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.524 -3.722 10.072 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.480 -5.327 8.454 1.00 0.00 N ATOM 1070 CA TYR A 75 0.032 -6.137 7.354 1.00 0.00 C ATOM 1071 C TYR A 75 -1.020 -6.301 6.262 1.00 0.00 C ATOM 1072 O TYR A 75 -2.087 -6.870 6.494 1.00 0.00 O ATOM 1073 CB TYR A 75 0.471 -7.510 7.866 1.00 0.00 C ATOM 1074 CG TYR A 75 1.441 -7.443 9.024 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.641 -6.751 8.911 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.158 -8.072 10.230 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.531 -6.688 9.966 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.041 -8.013 11.290 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.226 -7.320 11.154 1.00 0.00 C ATOM 1080 OH TYR A 75 4.109 -7.260 12.208 1.00 0.00 O ATOM 0 H TYR A 75 -1.376 -5.640 8.827 1.00 0.00 H new ATOM 0 HA TYR A 75 0.894 -5.623 6.928 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.411 -8.073 8.174 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.933 -8.063 7.048 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.882 -6.254 7.983 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.232 -8.616 10.340 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.460 -6.147 9.861 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.805 -8.507 12.221 1.00 0.00 H new ATOM 0 HH TYR A 75 4.535 -6.378 12.228 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.711 -5.799 5.072 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.629 -5.891 3.943 1.00 0.00 C ATOM 1092 C ILE A 76 -1.084 -6.823 2.866 1.00 0.00 C ATOM 1093 O ILE A 76 0.109 -6.830 2.562 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.897 -4.508 3.321 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.582 -3.855 2.890 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.638 -3.618 4.308 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.771 -2.578 2.101 1.00 0.00 C ATOM 0 H ILE A 76 0.168 -5.324 4.864 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.565 -6.294 4.330 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.523 -4.638 2.438 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.015 -3.640 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.014 -4.564 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.820 -2.644 3.854 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.590 -4.080 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.036 -3.492 5.208 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.203 -2.171 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.341 -2.790 1.196 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.311 -1.852 2.708 1.00 0.00 H new ATOM 1109 N PRO A 77 -1.978 -7.628 2.273 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.610 -8.578 1.219 1.00 0.00 C ATOM 1111 C PRO A 77 -1.229 -7.881 -0.083 1.00 0.00 C ATOM 1112 O PRO A 77 -2.013 -7.113 -0.640 1.00 0.00 O ATOM 1113 CB PRO A 77 -2.883 -9.407 1.028 1.00 0.00 C ATOM 1114 CG PRO A 77 -3.988 -8.513 1.477 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.416 -7.673 2.586 1.00 0.00 C ATOM 0 HA PRO A 77 -0.736 -9.170 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.011 -9.702 -0.013 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.851 -10.323 1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.342 -7.888 0.657 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.842 -9.093 1.827 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.855 -6.676 2.602 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.601 -8.118 3.564 1.00 0.00 H new ATOM 1123 N SER A 78 -0.019 -8.153 -0.562 1.00 0.00 N ATOM 1124 CA SER A 78 0.467 -7.549 -1.797 1.00 0.00 C ATOM 1125 C SER A 78 -0.335 -8.044 -2.997 1.00 0.00 C ATOM 1126 O SER A 78 -0.137 -7.586 -4.121 1.00 0.00 O ATOM 1127 CB SER A 78 1.951 -7.867 -1.995 1.00 0.00 C ATOM 1128 OG SER A 78 2.134 -9.213 -2.400 1.00 0.00 O ATOM 0 H SER A 78 0.642 -8.787 -0.114 1.00 0.00 H new ATOM 0 HA SER A 78 0.341 -6.469 -1.718 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.373 -7.198 -2.745 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.492 -7.687 -1.066 1.00 0.00 H new ATOM 0 HG SER A 78 2.357 -9.762 -1.619 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.242 -8.982 -2.747 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.075 -9.540 -3.807 1.00 0.00 C ATOM 1136 C ASN A 79 -3.307 -8.672 -4.045 1.00 0.00 C ATOM 1137 O ASN A 79 -3.977 -8.795 -5.071 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.504 -10.965 -3.450 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.369 -11.962 -3.585 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.754 -12.079 -4.646 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.085 -12.686 -2.509 1.00 0.00 N ATOM 0 H ASN A 79 -1.419 -9.372 -1.821 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.486 -9.563 -4.724 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.880 -10.983 -2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.328 -11.266 -4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.331 -13.372 -2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.621 -12.556 -1.651 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.598 -7.794 -3.092 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.749 -6.905 -3.197 1.00 0.00 C ATOM 1150 C TYR A 80 -4.310 -5.479 -3.515 1.00 0.00 C ATOM 1151 O TYR A 80 -5.013 -4.740 -4.204 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.555 -6.924 -1.897 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.630 -7.986 -1.867 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.360 -9.289 -2.267 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.917 -7.687 -1.436 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.340 -10.262 -2.241 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.904 -8.654 -1.406 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.610 -9.940 -1.810 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.589 -10.907 -1.782 1.00 0.00 O ATOM 0 H TYR A 80 -3.053 -7.679 -2.238 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.378 -7.262 -4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.875 -7.083 -1.060 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.017 -5.947 -1.751 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.367 -9.545 -2.604 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.150 -6.681 -1.119 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.113 -11.270 -2.556 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.899 -8.405 -1.068 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.425 -10.517 -1.452 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.140 -5.100 -3.010 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.604 -3.764 -3.241 1.00 0.00 C ATOM 1171 C VAL A 81 -1.517 -3.786 -4.309 1.00 0.00 C ATOM 1172 O VAL A 81 -0.820 -4.785 -4.481 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.026 -3.160 -1.947 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.112 -3.020 -0.891 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.876 -4.010 -1.430 1.00 0.00 C ATOM 0 H VAL A 81 -2.545 -5.700 -2.438 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.433 -3.144 -3.583 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.641 -2.165 -2.172 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.685 -2.592 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.900 -2.367 -1.264 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.530 -4.001 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.480 -3.569 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.234 -5.018 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.089 -4.053 -2.183 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.377 -2.674 -5.025 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.373 -2.564 -6.076 1.00 0.00 C ATOM 1187 C VAL A 82 0.270 -1.182 -6.079 1.00 0.00 C ATOM 1188 O VAL A 82 -0.329 -0.190 -5.662 1.00 0.00 O ATOM 1189 CB VAL A 82 -0.981 -2.838 -7.465 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.018 -3.948 -7.384 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.591 -1.568 -8.038 1.00 0.00 C ATOM 0 H VAL A 82 -1.946 -1.837 -4.896 1.00 0.00 H new ATOM 0 HA VAL A 82 0.388 -3.316 -5.866 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.185 -3.166 -8.134 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.437 -4.128 -8.374 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.547 -4.860 -7.018 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.815 -3.652 -6.701 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.016 -1.779 -9.019 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.376 -1.209 -7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.819 -0.805 -8.134 1.00 0.00 H new ATOM 1201 N PRO A 83 1.520 -1.112 -6.561 1.00 0.00 N ATOM 1202 CA PRO A 83 2.272 0.145 -6.631 1.00 0.00 C ATOM 1203 C PRO A 83 1.710 1.099 -7.679 1.00 0.00 C ATOM 1204 O PRO A 83 1.431 0.700 -8.809 1.00 0.00 O ATOM 1205 CB PRO A 83 3.682 -0.307 -7.020 1.00 0.00 C ATOM 1206 CG PRO A 83 3.483 -1.603 -7.728 1.00 0.00 C ATOM 1207 CD PRO A 83 2.295 -2.254 -7.074 1.00 0.00 C ATOM 0 HA PRO A 83 2.230 0.698 -5.693 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.169 0.425 -7.664 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.315 -0.429 -6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.304 -1.443 -8.791 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.368 -2.233 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.718 -2.844 -7.786 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.597 -2.928 -6.272 1.00 0.00 H new ATOM 1215 N ALA A 84 1.548 2.361 -7.296 1.00 0.00 N ATOM 1216 CA ALA A 84 1.022 3.373 -8.204 1.00 0.00 C ATOM 1217 C ALA A 84 1.946 3.569 -9.402 1.00 0.00 C ATOM 1218 O ALA A 84 1.616 4.296 -10.340 1.00 0.00 O ATOM 1219 CB ALA A 84 0.822 4.689 -7.469 1.00 0.00 C ATOM 0 H ALA A 84 1.773 2.707 -6.363 1.00 0.00 H new ATOM 0 HA ALA A 84 0.057 3.027 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.429 5.435 -8.159 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.117 4.545 -6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.777 5.031 -7.070 1.00 0.00 H new ATOM 1225 N ASP A 85 3.103 2.918 -9.364 1.00 0.00 N ATOM 1226 CA ASP A 85 4.074 3.021 -10.447 1.00 0.00 C ATOM 1227 C ASP A 85 3.920 1.861 -11.426 1.00 0.00 C ATOM 1228 O ASP A 85 3.990 2.049 -12.641 1.00 0.00 O ATOM 1229 CB ASP A 85 5.496 3.044 -9.884 1.00 0.00 C ATOM 1230 CG ASP A 85 6.528 3.408 -10.934 1.00 0.00 C ATOM 1231 OD1 ASP A 85 6.222 4.257 -11.796 1.00 0.00 O ATOM 1232 OD2 ASP A 85 7.641 2.843 -10.893 1.00 0.00 O ATOM 0 H ASP A 85 3.392 2.313 -8.595 1.00 0.00 H new ATOM 0 HA ASP A 85 3.888 3.952 -10.982 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.548 3.760 -9.064 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.735 2.065 -9.468 1.00 0.00 H new ATOM 1237 N SER A 86 3.712 0.663 -10.890 1.00 0.00 N ATOM 1238 CA SER A 86 3.554 -0.527 -11.716 1.00 0.00 C ATOM 1239 C SER A 86 2.112 -1.025 -11.682 1.00 0.00 C ATOM 1240 O SER A 86 1.847 -2.208 -11.894 1.00 0.00 O ATOM 1241 CB SER A 86 4.498 -1.633 -11.241 1.00 0.00 C ATOM 1242 OG SER A 86 5.740 -1.571 -11.921 1.00 0.00 O ATOM 0 H SER A 86 3.649 0.491 -9.887 1.00 0.00 H new ATOM 0 HA SER A 86 3.805 -0.261 -12.743 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.663 -1.539 -10.168 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.036 -2.606 -11.408 1.00 0.00 H new ATOM 0 HG SER A 86 6.326 -2.287 -11.598 1.00 0.00 H new ATOM 1248 N ILE A 87 1.184 -0.112 -11.414 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.231 -0.456 -11.353 1.00 0.00 C ATOM 1250 C ILE A 87 -0.580 -1.529 -12.379 1.00 0.00 C ATOM 1251 O ILE A 87 -0.703 -1.245 -13.570 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.121 0.777 -11.592 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.443 2.036 -11.049 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.483 0.581 -10.943 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.404 3.174 -10.783 1.00 0.00 C ATOM 0 H ILE A 87 1.387 0.872 -11.236 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.420 -0.840 -10.351 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.266 0.899 -12.665 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.078 1.788 -10.124 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.312 2.368 -11.761 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.101 1.461 -11.121 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.968 -0.296 -11.373 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.357 0.437 -9.870 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.853 4.033 -10.400 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.907 3.449 -11.710 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.145 2.860 -10.047 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.741 -2.761 -11.908 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.077 -3.876 -12.785 1.00 0.00 C ATOM 1269 C GLN A 88 -2.557 -3.850 -13.155 1.00 0.00 C ATOM 1270 O GLN A 88 -2.967 -4.440 -14.153 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.731 -5.205 -12.111 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.455 -5.425 -10.792 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.879 -6.579 -9.996 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -1.465 -7.661 -9.935 1.00 0.00 O ATOM 1275 NE2 GLN A 88 0.276 -6.356 -9.380 1.00 0.00 N ATOM 0 H GLN A 88 -0.644 -3.012 -10.924 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.491 -3.777 -13.698 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.975 -6.022 -12.790 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.344 -5.245 -11.937 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.401 -4.514 -10.196 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.510 -5.615 -10.988 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.727 -5.445 -9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.712 -7.096 -8.830 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.353 -3.162 -12.343 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.786 -3.057 -12.586 1.00 0.00 C ATOM 1286 C ALA A 89 -5.207 -1.603 -12.771 1.00 0.00 C ATOM 1287 O ALA A 89 -6.351 -1.241 -12.501 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.563 -3.693 -11.442 1.00 0.00 C ATOM 0 H ALA A 89 -3.029 -2.669 -11.511 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.014 -3.593 -13.507 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.632 -3.607 -11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.292 -4.746 -11.359 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.322 -3.182 -10.510 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.274 -0.776 -13.232 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.550 0.639 -13.451 1.00 0.00 C ATOM 1296 C GLU A 90 -5.984 0.846 -13.931 1.00 0.00 C ATOM 1297 O GLU A 90 -6.601 1.872 -13.648 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.570 1.221 -14.472 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.242 0.270 -15.611 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.848 0.485 -16.167 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.397 1.649 -16.207 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.207 -0.512 -16.562 1.00 0.00 O ATOM 0 H GLU A 90 -3.322 -1.061 -13.461 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.425 1.158 -12.501 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.991 2.138 -14.885 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.647 1.495 -13.962 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.334 -0.758 -15.259 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.972 0.400 -16.410 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.505 -0.136 -14.660 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.865 -0.061 -15.180 1.00 0.00 C ATOM 1311 C GLU A 91 -8.797 0.607 -14.173 1.00 0.00 C ATOM 1312 O GLU A 91 -9.756 1.280 -14.551 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.383 -1.460 -15.521 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.650 -2.114 -16.680 1.00 0.00 C ATOM 1315 CD GLU A 91 -7.842 -3.618 -16.718 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -7.173 -4.321 -15.932 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.661 -4.091 -17.532 1.00 0.00 O ATOM 0 H GLU A 91 -6.006 -0.992 -14.904 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.846 0.543 -16.087 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.294 -2.096 -14.640 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.444 -1.397 -15.762 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.002 -1.683 -17.617 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.586 -1.889 -16.605 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.508 0.414 -12.891 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.321 0.997 -11.829 1.00 0.00 C ATOM 1326 C TRP A 92 -9.259 2.520 -11.870 1.00 0.00 C ATOM 1327 O TRP A 92 -10.284 3.195 -11.771 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.850 0.492 -10.464 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.479 0.969 -10.095 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.325 0.239 -10.110 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.119 2.283 -9.653 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.269 1.019 -9.704 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.729 2.278 -9.419 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.834 3.464 -9.434 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.045 3.407 -8.977 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.153 4.583 -8.995 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.770 4.549 -8.771 1.00 0.00 C ATOM 0 H TRP A 92 -7.718 -0.141 -12.562 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.355 0.690 -11.986 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.557 0.816 -9.701 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.860 -0.598 -10.465 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.253 -0.799 -10.399 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.300 0.711 -9.627 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.900 3.501 -9.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.979 3.382 -8.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.696 5.500 -8.821 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.267 5.441 -8.429 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.053 3.055 -12.018 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.858 4.499 -12.070 1.00 0.00 C ATOM 1350 C TYR A 93 -8.164 5.040 -13.463 1.00 0.00 C ATOM 1351 O TYR A 93 -8.610 6.177 -13.617 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.425 4.857 -11.675 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.486 4.986 -12.853 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.666 5.982 -13.804 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.419 4.111 -13.014 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.811 6.103 -14.883 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.558 4.225 -14.089 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.758 5.222 -15.021 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.904 5.339 -16.093 1.00 0.00 O ATOM 0 H TYR A 93 -7.195 2.510 -12.104 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.548 4.958 -11.362 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.433 5.797 -11.123 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.042 4.093 -10.998 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.488 6.674 -13.698 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.260 3.329 -12.287 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.966 6.883 -15.614 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.733 3.537 -14.199 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.277 4.860 -16.862 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.920 4.216 -14.477 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.168 4.611 -15.859 1.00 0.00 C ATOM 1371 C PHE A 94 -9.648 4.906 -16.083 1.00 0.00 C ATOM 1372 O PHE A 94 -10.009 5.955 -16.614 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.705 3.510 -16.816 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.288 3.680 -17.285 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.912 4.805 -18.001 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.334 2.714 -17.011 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.609 4.964 -18.433 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.029 2.868 -17.440 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.666 3.994 -18.154 1.00 0.00 C ATOM 0 H PHE A 94 -7.551 3.271 -14.368 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.601 5.520 -16.059 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.802 2.544 -16.320 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.366 3.491 -17.682 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.645 5.566 -18.224 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.613 1.831 -16.456 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.328 5.846 -18.989 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.294 2.109 -17.217 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.648 4.115 -18.493 1.00 0.00 H new