USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 512 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 28 THR OG1 : rot 33:sc= 0.234 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 108:sc= 0.579 USER MOD Single : A 40 THR OG1 : rot -55:sc= -0.456 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 46:sc= -0.576 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0318 K(o=-0.032,f=-1.5!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 57 ASN : amide:sc= -1.62 X(o=-1.6,f=-2!) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -69:sc= 0.513! USER MOD Single : A 70 THR OG1 : rot 175:sc= -1.18 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= -0.0536 (180deg=-0.111) 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 -117:sc= 0.47 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 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -75:sc= 0.0691! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.751 2.903 -0.844 1.00 0.00 N ATOM 325 CA THR A 28 7.044 2.810 -2.115 1.00 0.00 C ATOM 326 C THR A 28 5.543 2.998 -1.925 1.00 0.00 C ATOM 327 O THR A 28 4.954 2.456 -0.989 1.00 0.00 O ATOM 328 CB THR A 28 7.297 1.453 -2.800 1.00 0.00 C ATOM 329 OG1 THR A 28 8.698 1.158 -2.799 1.00 0.00 O ATOM 330 CG2 THR A 28 6.777 1.464 -4.229 1.00 0.00 C ATOM 0 HA THR A 28 7.430 3.608 -2.750 1.00 0.00 H new ATOM 0 HB THR A 28 6.764 0.683 -2.242 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.109 1.526 -1.989 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.967 0.496 -4.693 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.705 1.660 -4.225 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.286 2.244 -4.796 1.00 0.00 H new ATOM 338 N ILE A 29 4.930 3.767 -2.818 1.00 0.00 N ATOM 339 CA ILE A 29 3.497 4.025 -2.748 1.00 0.00 C ATOM 340 C ILE A 29 2.700 2.838 -3.279 1.00 0.00 C ATOM 341 O ILE A 29 3.058 2.239 -4.293 1.00 0.00 O ATOM 342 CB ILE A 29 3.112 5.285 -3.545 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.502 6.545 -2.768 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.622 5.285 -3.849 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.823 6.659 -1.421 1.00 0.00 C ATOM 0 H ILE A 29 5.403 4.222 -3.599 1.00 0.00 H new ATOM 0 HA ILE A 29 3.255 4.183 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 29 3.656 5.279 -4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.582 6.553 -2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.254 7.422 -3.366 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.366 6.182 -4.413 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.371 4.402 -4.437 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.060 5.271 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.146 7.575 -0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.742 6.683 -1.559 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.091 5.801 -0.805 1.00 0.00 H new ATOM 357 N PHE A 30 1.614 2.505 -2.588 1.00 0.00 N ATOM 358 CA PHE A 30 0.764 1.391 -2.989 1.00 0.00 C ATOM 359 C PHE A 30 -0.710 1.731 -2.787 1.00 0.00 C ATOM 360 O PHE A 30 -1.075 2.414 -1.831 1.00 0.00 O ATOM 361 CB PHE A 30 1.123 0.135 -2.193 1.00 0.00 C ATOM 362 CG PHE A 30 2.242 -0.661 -2.802 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.546 -0.194 -2.758 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.990 -1.877 -3.417 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.577 -0.925 -3.318 1.00 0.00 C ATOM 366 CE2 PHE A 30 3.017 -2.612 -3.978 1.00 0.00 C ATOM 367 CZ PHE A 30 4.313 -2.136 -3.928 1.00 0.00 C ATOM 0 H PHE A 30 1.302 2.992 -1.747 1.00 0.00 H new ATOM 0 HA PHE A 30 0.933 1.201 -4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.403 0.424 -1.180 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.240 -0.498 -2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.759 0.751 -2.281 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.979 -2.255 -3.458 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.589 -0.549 -3.279 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.807 -3.558 -4.455 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.118 -2.709 -4.365 1.00 0.00 H new ATOM 377 N VAL A 31 -1.552 1.249 -3.696 1.00 0.00 N ATOM 378 CA VAL A 31 -2.986 1.501 -3.618 1.00 0.00 C ATOM 379 C VAL A 31 -3.768 0.196 -3.521 1.00 0.00 C ATOM 380 O VAL A 31 -3.376 -0.819 -4.096 1.00 0.00 O ATOM 381 CB VAL A 31 -3.483 2.295 -4.841 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.971 2.066 -5.058 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.183 3.777 -4.671 1.00 0.00 C ATOM 0 H VAL A 31 -1.266 0.682 -4.494 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.156 2.091 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.952 1.939 -5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.304 2.635 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.155 1.005 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.522 2.394 -4.176 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.541 4.323 -5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.686 4.150 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.107 3.921 -4.569 1.00 0.00 H new ATOM 393 N ALA A 32 -4.878 0.231 -2.791 1.00 0.00 N ATOM 394 CA ALA A 32 -5.718 -0.948 -2.621 1.00 0.00 C ATOM 395 C ALA A 32 -6.811 -1.002 -3.682 1.00 0.00 C ATOM 396 O ALA A 32 -7.690 -0.140 -3.727 1.00 0.00 O ATOM 397 CB ALA A 32 -6.330 -0.963 -1.228 1.00 0.00 C ATOM 0 H ALA A 32 -5.216 1.063 -2.308 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.090 -1.831 -2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.955 -1.849 -1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.536 -0.981 -0.482 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.938 -0.069 -1.088 1.00 0.00 H new ATOM 403 N LEU A 33 -6.751 -2.018 -4.536 1.00 0.00 N ATOM 404 CA LEU A 33 -7.736 -2.183 -5.599 1.00 0.00 C ATOM 405 C LEU A 33 -9.022 -2.799 -5.058 1.00 0.00 C ATOM 406 O LEU A 33 -10.121 -2.445 -5.487 1.00 0.00 O ATOM 407 CB LEU A 33 -7.167 -3.060 -6.717 1.00 0.00 C ATOM 408 CG LEU A 33 -5.693 -2.840 -7.058 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.211 -3.892 -8.045 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.478 -1.442 -7.617 1.00 0.00 C ATOM 0 H LEU A 33 -6.031 -2.740 -4.513 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.969 -1.197 -6.002 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.302 -4.105 -6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.757 -2.893 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.109 -2.936 -6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.160 -3.720 -8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.328 -4.883 -7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.799 -3.828 -8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.423 -1.303 -7.854 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.073 -1.316 -8.522 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.784 -0.703 -6.876 1.00 0.00 H new ATOM 422 N TYR A 34 -8.878 -3.722 -4.114 1.00 0.00 N ATOM 423 CA TYR A 34 -10.028 -4.388 -3.514 1.00 0.00 C ATOM 424 C TYR A 34 -10.147 -4.042 -2.033 1.00 0.00 C ATOM 425 O TYR A 34 -9.152 -3.743 -1.372 1.00 0.00 O ATOM 426 CB TYR A 34 -9.914 -5.903 -3.688 1.00 0.00 C ATOM 427 CG TYR A 34 -9.223 -6.316 -4.968 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.910 -6.339 -6.175 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.883 -6.684 -4.969 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.283 -6.715 -7.347 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.247 -7.060 -6.137 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.952 -7.075 -7.323 1.00 0.00 C ATOM 433 OH TYR A 34 -7.322 -7.451 -8.487 1.00 0.00 O ATOM 0 H TYR A 34 -7.976 -4.026 -3.748 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.926 -4.037 -4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.368 -6.317 -2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.913 -6.339 -3.668 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.953 -6.058 -6.198 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.329 -6.676 -4.042 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.832 -6.727 -8.277 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.204 -7.340 -6.122 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.387 -7.672 -8.296 1.00 0.00 H new ATOM 443 N ASP A 35 -11.370 -4.086 -1.518 1.00 0.00 N ATOM 444 CA ASP A 35 -11.621 -3.779 -0.114 1.00 0.00 C ATOM 445 C ASP A 35 -11.310 -4.984 0.769 1.00 0.00 C ATOM 446 O ASP A 35 -11.791 -6.090 0.519 1.00 0.00 O ATOM 447 CB ASP A 35 -13.075 -3.347 0.084 1.00 0.00 C ATOM 448 CG ASP A 35 -14.059 -4.433 -0.304 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.434 -4.496 -1.493 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.456 -5.219 0.582 1.00 0.00 O ATOM 0 H ASP A 35 -12.204 -4.331 -2.051 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.964 -2.959 0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.231 -3.075 1.128 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.270 -2.455 -0.511 1.00 0.00 H new ATOM 455 N TYR A 36 -10.504 -4.762 1.801 1.00 0.00 N ATOM 456 CA TYR A 36 -10.126 -5.829 2.719 1.00 0.00 C ATOM 457 C TYR A 36 -10.464 -5.454 4.159 1.00 0.00 C ATOM 458 O TYR A 36 -10.793 -4.305 4.451 1.00 0.00 O ATOM 459 CB TYR A 36 -8.632 -6.132 2.596 1.00 0.00 C ATOM 460 CG TYR A 36 -8.139 -7.161 3.588 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.320 -8.519 3.357 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.492 -6.775 4.756 1.00 0.00 C ATOM 463 CE1 TYR A 36 -7.871 -9.463 4.261 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.039 -7.712 5.664 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.231 -9.055 5.412 1.00 0.00 C ATOM 466 OH TYR A 36 -6.783 -9.991 6.315 1.00 0.00 O ATOM 0 H TYR A 36 -10.100 -3.852 2.023 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.693 -6.721 2.452 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.423 -6.484 1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.070 -5.208 2.734 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.820 -8.842 2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.341 -5.725 4.957 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.021 -10.515 4.067 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.537 -7.395 6.566 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.805 -10.038 6.279 1.00 0.00 H new ATOM 476 N GLU A 37 -10.378 -6.433 5.054 1.00 0.00 N ATOM 477 CA GLU A 37 -10.674 -6.206 6.464 1.00 0.00 C ATOM 478 C GLU A 37 -9.630 -6.875 7.354 1.00 0.00 C ATOM 479 O GLU A 37 -9.426 -8.087 7.286 1.00 0.00 O ATOM 480 CB GLU A 37 -12.068 -6.737 6.807 1.00 0.00 C ATOM 481 CG GLU A 37 -12.685 -6.082 8.031 1.00 0.00 C ATOM 482 CD GLU A 37 -13.395 -4.783 7.702 1.00 0.00 C ATOM 483 OE1 GLU A 37 -12.968 -4.099 6.748 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.376 -4.450 8.398 1.00 0.00 O ATOM 0 H GLU A 37 -10.106 -7.390 4.828 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.647 -5.132 6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.727 -6.583 5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.007 -7.813 6.973 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.393 -6.772 8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -11.905 -5.889 8.767 1.00 0.00 H new ATOM 491 N ALA A 38 -8.972 -6.075 8.186 1.00 0.00 N ATOM 492 CA ALA A 38 -7.950 -6.589 9.090 1.00 0.00 C ATOM 493 C ALA A 38 -8.479 -7.764 9.905 1.00 0.00 C ATOM 494 O ALA A 38 -9.348 -7.598 10.761 1.00 0.00 O ATOM 495 CB ALA A 38 -7.458 -5.483 10.013 1.00 0.00 C ATOM 0 H ALA A 38 -9.128 -5.069 8.253 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.113 -6.945 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.695 -5.880 10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.033 -4.675 9.418 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.293 -5.101 10.600 1.00 0.00 H new ATOM 501 N ARG A 39 -7.949 -8.953 9.634 1.00 0.00 N ATOM 502 CA ARG A 39 -8.369 -10.156 10.340 1.00 0.00 C ATOM 503 C ARG A 39 -8.039 -10.057 11.827 1.00 0.00 C ATOM 504 O ARG A 39 -8.841 -10.438 12.680 1.00 0.00 O ATOM 505 CB ARG A 39 -7.693 -11.389 9.738 1.00 0.00 C ATOM 506 CG ARG A 39 -8.381 -11.910 8.486 1.00 0.00 C ATOM 507 CD ARG A 39 -7.596 -13.048 7.852 1.00 0.00 C ATOM 508 NE ARG A 39 -6.175 -12.732 7.731 1.00 0.00 N ATOM 509 CZ ARG A 39 -5.292 -12.935 8.702 1.00 0.00 C ATOM 510 NH1 ARG A 39 -5.682 -13.451 9.860 1.00 0.00 N ATOM 511 NH2 ARG A 39 -4.016 -12.622 8.516 1.00 0.00 N ATOM 0 H ARG A 39 -7.227 -9.108 8.930 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.449 -10.253 10.230 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.658 -11.145 9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.669 -12.182 10.486 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.384 -12.254 8.737 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.493 -11.099 7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.717 -13.950 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.005 -13.264 6.865 1.00 0.00 H new ATOM 0 HE ARG A 39 -5.843 -12.334 6.853 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.662 -13.693 10.006 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.002 -13.606 10.604 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.713 -12.225 7.627 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.339 -12.778 9.262 1.00 0.00 H new ATOM 525 N THR A 40 -6.850 -9.544 12.131 1.00 0.00 N ATOM 526 CA THR A 40 -6.412 -9.396 13.513 1.00 0.00 C ATOM 527 C THR A 40 -5.697 -8.067 13.724 1.00 0.00 C ATOM 528 O THR A 40 -5.628 -7.236 12.818 1.00 0.00 O ATOM 529 CB THR A 40 -5.474 -10.544 13.930 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.226 -10.432 13.237 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.106 -11.895 13.634 1.00 0.00 C ATOM 0 H THR A 40 -6.174 -9.224 11.438 1.00 0.00 H new ATOM 0 HA THR A 40 -7.308 -9.425 14.134 1.00 0.00 H new ATOM 0 HB THR A 40 -5.301 -10.471 15.004 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.390 -10.397 12.271 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.424 -12.690 13.937 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.041 -11.988 14.187 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.306 -11.977 12.566 1.00 0.00 H new ATOM 539 N THR A 41 -5.164 -7.871 14.926 1.00 0.00 N ATOM 540 CA THR A 41 -4.453 -6.642 15.256 1.00 0.00 C ATOM 541 C THR A 41 -3.196 -6.490 14.409 1.00 0.00 C ATOM 542 O THR A 41 -2.803 -5.377 14.060 1.00 0.00 O ATOM 543 CB THR A 41 -4.063 -6.602 16.746 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.401 -5.368 17.046 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.154 -7.770 17.099 1.00 0.00 C ATOM 0 H THR A 41 -5.211 -8.548 15.687 1.00 0.00 H new ATOM 0 HA THR A 41 -5.132 -5.817 15.044 1.00 0.00 H new ATOM 0 HB THR A 41 -4.974 -6.679 17.340 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.158 -5.350 17.995 1.00 0.00 H new ATOM 0 HG21 THR A 41 -2.892 -7.721 18.156 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.671 -8.708 16.897 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.246 -7.719 16.497 1.00 0.00 H new ATOM 553 N GLU A 42 -2.569 -7.615 14.080 1.00 0.00 N ATOM 554 CA GLU A 42 -1.354 -7.604 13.272 1.00 0.00 C ATOM 555 C GLU A 42 -1.666 -7.231 11.826 1.00 0.00 C ATOM 556 O GLU A 42 -0.800 -6.747 11.098 1.00 0.00 O ATOM 557 CB GLU A 42 -0.671 -8.972 13.321 1.00 0.00 C ATOM 558 CG GLU A 42 -1.125 -9.920 12.224 1.00 0.00 C ATOM 559 CD GLU A 42 -0.328 -11.209 12.200 1.00 0.00 C ATOM 560 OE1 GLU A 42 -0.665 -12.129 12.976 1.00 0.00 O ATOM 561 OE2 GLU A 42 0.631 -11.300 11.406 1.00 0.00 O ATOM 0 H GLU A 42 -2.881 -8.545 14.360 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.680 -6.854 13.685 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.407 -8.833 13.246 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.866 -9.431 14.290 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.181 -10.153 12.364 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.033 -9.423 11.258 1.00 0.00 H new ATOM 568 N ASP A 43 -2.909 -7.460 11.417 1.00 0.00 N ATOM 569 CA ASP A 43 -3.337 -7.148 10.058 1.00 0.00 C ATOM 570 C ASP A 43 -3.758 -5.686 9.944 1.00 0.00 C ATOM 571 O ASP A 43 -4.336 -5.120 10.873 1.00 0.00 O ATOM 572 CB ASP A 43 -4.493 -8.059 9.643 1.00 0.00 C ATOM 573 CG ASP A 43 -4.101 -9.523 9.631 1.00 0.00 C ATOM 574 OD1 ASP A 43 -3.107 -9.866 8.957 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.788 -10.326 10.297 1.00 0.00 O ATOM 0 H ASP A 43 -3.638 -7.861 12.007 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.493 -7.318 9.389 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.329 -7.915 10.328 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.841 -7.771 8.651 1.00 0.00 H new ATOM 580 N LEU A 44 -3.465 -5.079 8.799 1.00 0.00 N ATOM 581 CA LEU A 44 -3.812 -3.682 8.562 1.00 0.00 C ATOM 582 C LEU A 44 -5.148 -3.569 7.834 1.00 0.00 C ATOM 583 O LEU A 44 -5.367 -4.222 6.814 1.00 0.00 O ATOM 584 CB LEU A 44 -2.714 -2.994 7.749 1.00 0.00 C ATOM 585 CG LEU A 44 -2.527 -1.498 8.005 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.964 -0.812 6.770 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.844 -0.859 8.419 1.00 0.00 C ATOM 0 H LEU A 44 -2.988 -5.533 8.020 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.903 -3.187 9.529 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.769 -3.498 7.952 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.930 -3.137 6.690 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.815 -1.374 8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.838 0.252 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.999 -1.251 6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.652 -0.945 5.935 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.692 0.206 8.597 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.579 -0.993 7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.206 -1.331 9.332 1.00 0.00 H new ATOM 599 N SER A 45 -6.036 -2.734 8.364 1.00 0.00 N ATOM 600 CA SER A 45 -7.350 -2.536 7.765 1.00 0.00 C ATOM 601 C SER A 45 -7.301 -1.454 6.690 1.00 0.00 C ATOM 602 O SER A 45 -7.058 -0.283 6.982 1.00 0.00 O ATOM 603 CB SER A 45 -8.371 -2.156 8.840 1.00 0.00 C ATOM 604 OG SER A 45 -7.985 -0.971 9.514 1.00 0.00 O ATOM 0 H SER A 45 -5.869 -2.184 9.207 1.00 0.00 H new ATOM 0 HA SER A 45 -7.654 -3.473 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.350 -2.015 8.382 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.469 -2.971 9.557 1.00 0.00 H new ATOM 0 HG SER A 45 -7.697 -0.301 8.859 1.00 0.00 H new ATOM 610 N PHE A 46 -7.532 -1.856 5.445 1.00 0.00 N ATOM 611 CA PHE A 46 -7.513 -0.922 4.325 1.00 0.00 C ATOM 612 C PHE A 46 -8.767 -1.074 3.469 1.00 0.00 C ATOM 613 O PHE A 46 -9.527 -2.030 3.624 1.00 0.00 O ATOM 614 CB PHE A 46 -6.266 -1.148 3.466 1.00 0.00 C ATOM 615 CG PHE A 46 -6.102 -2.570 3.010 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.524 -3.516 3.842 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.526 -2.961 1.751 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.372 -4.824 3.424 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.376 -4.268 1.328 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.799 -5.201 2.166 1.00 0.00 C ATOM 0 H PHE A 46 -7.734 -2.822 5.186 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.490 0.090 4.729 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.314 -0.498 2.592 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.384 -0.853 4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.189 -3.228 4.827 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.979 -2.236 1.092 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.919 -5.552 4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.710 -4.559 0.343 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.682 -6.223 1.839 1.00 0.00 H new ATOM 630 N LYS A 47 -8.979 -0.122 2.567 1.00 0.00 N ATOM 631 CA LYS A 47 -10.140 -0.147 1.685 1.00 0.00 C ATOM 632 C LYS A 47 -9.737 0.157 0.246 1.00 0.00 C ATOM 633 O LYS A 47 -8.672 0.721 -0.006 1.00 0.00 O ATOM 634 CB LYS A 47 -11.186 0.865 2.157 1.00 0.00 C ATOM 635 CG LYS A 47 -11.861 0.479 3.462 1.00 0.00 C ATOM 636 CD LYS A 47 -12.737 -0.750 3.295 1.00 0.00 C ATOM 637 CE LYS A 47 -13.757 -0.865 4.418 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.546 -2.124 4.324 1.00 0.00 N ATOM 0 H LYS A 47 -8.361 0.678 2.427 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.570 -1.148 1.720 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.709 1.838 2.278 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.946 0.977 1.384 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.103 0.286 4.221 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.466 1.312 3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.254 -0.702 2.336 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.113 -1.643 3.276 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.244 -0.829 5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.432 -0.010 4.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.230 -2.165 5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.056 -2.148 3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.905 -2.941 4.382 1.00 0.00 H new ATOM 652 N LYS A 48 -10.595 -0.221 -0.696 1.00 0.00 N ATOM 653 CA LYS A 48 -10.330 0.013 -2.111 1.00 0.00 C ATOM 654 C LYS A 48 -10.212 1.506 -2.403 1.00 0.00 C ATOM 655 O LYS A 48 -11.190 2.246 -2.310 1.00 0.00 O ATOM 656 CB LYS A 48 -11.442 -0.598 -2.966 1.00 0.00 C ATOM 657 CG LYS A 48 -11.497 -0.043 -4.379 1.00 0.00 C ATOM 658 CD LYS A 48 -12.583 -0.717 -5.201 1.00 0.00 C ATOM 659 CE LYS A 48 -12.632 -0.166 -6.618 1.00 0.00 C ATOM 660 NZ LYS A 48 -13.286 -1.116 -7.560 1.00 0.00 N ATOM 0 H LYS A 48 -11.480 -0.691 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.383 -0.464 -2.362 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.300 -1.678 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.401 -0.424 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.681 1.031 -4.342 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.531 -0.185 -4.864 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.402 -1.791 -5.233 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.550 -0.571 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.174 0.780 -6.621 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.619 0.046 -6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.300 -0.704 -8.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.755 -2.010 -7.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.261 -1.299 -7.248 1.00 0.00 H new ATOM 674 N GLY A 49 -9.007 1.941 -2.758 1.00 0.00 N ATOM 675 CA GLY A 49 -8.784 3.343 -3.059 1.00 0.00 C ATOM 676 C GLY A 49 -8.027 4.060 -1.958 1.00 0.00 C ATOM 677 O GLY A 49 -8.044 5.288 -1.884 1.00 0.00 O ATOM 0 H GLY A 49 -8.182 1.348 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.227 3.427 -3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.744 3.835 -3.215 1.00 0.00 H new ATOM 681 N GLU A 50 -7.365 3.290 -1.100 1.00 0.00 N ATOM 682 CA GLU A 50 -6.601 3.861 0.003 1.00 0.00 C ATOM 683 C GLU A 50 -5.107 3.611 -0.182 1.00 0.00 C ATOM 684 O GLU A 50 -4.696 2.536 -0.618 1.00 0.00 O ATOM 685 CB GLU A 50 -7.067 3.268 1.335 1.00 0.00 C ATOM 686 CG GLU A 50 -6.895 4.210 2.514 1.00 0.00 C ATOM 687 CD GLU A 50 -7.471 3.648 3.799 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.652 3.242 3.793 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.740 3.613 4.811 1.00 0.00 O ATOM 0 H GLU A 50 -7.342 2.271 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.773 4.937 0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.118 2.992 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.511 2.351 1.529 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.835 4.418 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.379 5.160 2.288 1.00 0.00 H new ATOM 696 N ARG A 51 -4.300 4.612 0.152 1.00 0.00 N ATOM 697 CA ARG A 51 -2.852 4.503 0.021 1.00 0.00 C ATOM 698 C ARG A 51 -2.215 4.101 1.348 1.00 0.00 C ATOM 699 O ARG A 51 -2.824 4.240 2.409 1.00 0.00 O ATOM 700 CB ARG A 51 -2.260 5.829 -0.460 1.00 0.00 C ATOM 701 CG ARG A 51 -2.665 6.198 -1.878 1.00 0.00 C ATOM 702 CD ARG A 51 -1.676 7.168 -2.505 1.00 0.00 C ATOM 703 NE ARG A 51 -2.248 7.867 -3.653 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.651 8.882 -4.267 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.470 9.313 -3.847 1.00 0.00 N ATOM 706 NH2 ARG A 51 -2.235 9.466 -5.306 1.00 0.00 N ATOM 0 H ARG A 51 -4.624 5.508 0.516 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.637 3.729 -0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.573 6.624 0.217 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.173 5.773 -0.405 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.727 5.296 -2.486 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.659 6.645 -1.869 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.359 7.896 -1.758 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.785 6.625 -2.819 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.155 7.559 -4.002 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.017 8.865 -3.050 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.014 10.093 -4.321 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.143 9.135 -5.633 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.776 10.246 -5.777 1.00 0.00 H new ATOM 720 N PHE A 52 -0.985 3.601 1.281 1.00 0.00 N ATOM 721 CA PHE A 52 -0.266 3.178 2.476 1.00 0.00 C ATOM 722 C PHE A 52 1.240 3.168 2.230 1.00 0.00 C ATOM 723 O PHE A 52 1.700 2.793 1.152 1.00 0.00 O ATOM 724 CB PHE A 52 -0.731 1.786 2.911 1.00 0.00 C ATOM 725 CG PHE A 52 -2.224 1.659 3.015 1.00 0.00 C ATOM 726 CD1 PHE A 52 -2.987 1.369 1.895 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.864 1.830 4.232 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.362 1.251 1.987 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.238 1.712 4.330 1.00 0.00 C ATOM 730 CZ PHE A 52 -4.988 1.424 3.206 1.00 0.00 C ATOM 0 H PHE A 52 -0.466 3.479 0.411 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.482 3.892 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.360 1.049 2.199 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.286 1.548 3.877 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.502 1.234 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.283 2.058 5.114 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -4.945 1.024 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.725 1.845 5.285 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.062 1.334 3.280 1.00 0.00 H new ATOM 740 N GLN A 53 2.001 3.585 3.237 1.00 0.00 N ATOM 741 CA GLN A 53 3.454 3.626 3.130 1.00 0.00 C ATOM 742 C GLN A 53 4.065 2.274 3.483 1.00 0.00 C ATOM 743 O GLN A 53 4.045 1.856 4.642 1.00 0.00 O ATOM 744 CB GLN A 53 4.024 4.711 4.046 1.00 0.00 C ATOM 745 CG GLN A 53 4.026 6.096 3.420 1.00 0.00 C ATOM 746 CD GLN A 53 4.207 7.199 4.444 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.868 7.035 5.617 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.746 8.331 4.007 1.00 0.00 N ATOM 0 H GLN A 53 1.635 3.899 4.136 1.00 0.00 H new ATOM 0 HA GLN A 53 3.710 3.861 2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.443 4.739 4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.045 4.444 4.320 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.826 6.156 2.682 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.088 6.251 2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.012 8.424 3.027 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.894 9.108 4.652 1.00 0.00 H new ATOM 757 N ILE A 54 4.606 1.594 2.478 1.00 0.00 N ATOM 758 CA ILE A 54 5.222 0.289 2.683 1.00 0.00 C ATOM 759 C ILE A 54 6.447 0.395 3.586 1.00 0.00 C ATOM 760 O ILE A 54 7.495 0.890 3.171 1.00 0.00 O ATOM 761 CB ILE A 54 5.639 -0.353 1.347 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.451 -0.391 0.382 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.183 -1.755 1.580 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.270 -1.176 0.908 1.00 0.00 C ATOM 0 H ILE A 54 4.630 1.925 1.514 1.00 0.00 H new ATOM 0 HA ILE A 54 4.473 -0.341 3.162 1.00 0.00 H new ATOM 0 HB ILE A 54 6.428 0.252 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.133 0.630 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.775 -0.827 -0.563 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.473 -2.196 0.626 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.052 -1.704 2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.414 -2.371 2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.466 -1.160 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.572 -2.207 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.920 -0.727 1.838 1.00 0.00 H new ATOM 776 N ILE A 55 6.306 -0.074 4.821 1.00 0.00 N ATOM 777 CA ILE A 55 7.402 -0.034 5.782 1.00 0.00 C ATOM 778 C ILE A 55 8.342 -1.219 5.592 1.00 0.00 C ATOM 779 O ILE A 55 9.560 -1.055 5.537 1.00 0.00 O ATOM 780 CB ILE A 55 6.880 -0.034 7.231 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.862 1.091 7.430 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.035 0.111 8.210 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.860 0.813 8.528 1.00 0.00 C ATOM 0 H ILE A 55 5.445 -0.486 5.180 1.00 0.00 H new ATOM 0 HA ILE A 55 7.947 0.892 5.601 1.00 0.00 H new ATOM 0 HB ILE A 55 6.384 -0.985 7.422 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.394 2.014 7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.327 1.256 6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.650 0.109 9.230 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.727 -0.721 8.082 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.557 1.049 8.021 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.170 1.653 8.612 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.302 -0.093 8.290 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.385 0.678 9.474 1.00 0.00 H new ATOM 795 N ASN A 56 7.768 -2.413 5.491 1.00 0.00 N ATOM 796 CA ASN A 56 8.555 -3.627 5.306 1.00 0.00 C ATOM 797 C ASN A 56 7.929 -4.525 4.244 1.00 0.00 C ATOM 798 O ASN A 56 6.732 -4.806 4.282 1.00 0.00 O ATOM 799 CB ASN A 56 8.675 -4.389 6.628 1.00 0.00 C ATOM 800 CG ASN A 56 9.968 -5.174 6.727 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.602 -5.479 5.716 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.365 -5.508 7.950 1.00 0.00 N ATOM 0 H ASN A 56 6.760 -2.566 5.534 1.00 0.00 H new ATOM 0 HA ASN A 56 9.550 -3.337 4.970 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.617 -3.684 7.457 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.831 -5.071 6.729 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.227 -6.038 8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.808 -5.234 8.760 1.00 0.00 H new ATOM 809 N ASN A 57 8.748 -4.971 3.297 1.00 0.00 N ATOM 810 CA ASN A 57 8.274 -5.838 2.223 1.00 0.00 C ATOM 811 C ASN A 57 9.072 -7.138 2.182 1.00 0.00 C ATOM 812 O ASN A 57 9.437 -7.622 1.110 1.00 0.00 O ATOM 813 CB ASN A 57 8.378 -5.119 0.877 1.00 0.00 C ATOM 814 CG ASN A 57 9.805 -4.739 0.532 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.712 -5.570 0.590 1.00 0.00 O ATOM 816 ND2 ASN A 57 10.011 -3.477 0.173 1.00 0.00 N ATOM 0 H ASN A 57 9.742 -4.747 3.251 1.00 0.00 H new ATOM 0 HA ASN A 57 7.229 -6.080 2.418 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.977 -5.761 0.093 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.761 -4.221 0.900 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.951 -3.162 -0.069 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.229 -2.822 0.139 1.00 0.00 H new ATOM 823 N THR A 58 9.339 -7.700 3.356 1.00 0.00 N ATOM 824 CA THR A 58 10.094 -8.943 3.455 1.00 0.00 C ATOM 825 C THR A 58 9.191 -10.152 3.242 1.00 0.00 C ATOM 826 O THR A 58 9.548 -11.086 2.524 1.00 0.00 O ATOM 827 CB THR A 58 10.789 -9.071 4.823 1.00 0.00 C ATOM 828 OG1 THR A 58 11.540 -10.289 4.879 1.00 0.00 O ATOM 829 CG2 THR A 58 9.771 -9.044 5.953 1.00 0.00 C ATOM 0 H THR A 58 9.043 -7.314 4.253 1.00 0.00 H new ATOM 0 HA THR A 58 10.852 -8.916 2.672 1.00 0.00 H new ATOM 0 HB THR A 58 11.463 -8.223 4.943 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.980 -10.362 5.752 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.286 -9.136 6.909 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.222 -8.103 5.926 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.074 -9.874 5.835 1.00 0.00 H new ATOM 837 N GLU A 59 8.019 -10.128 3.869 1.00 0.00 N ATOM 838 CA GLU A 59 7.065 -11.224 3.747 1.00 0.00 C ATOM 839 C GLU A 59 6.209 -11.063 2.495 1.00 0.00 C ATOM 840 O GLU A 59 5.247 -10.296 2.481 1.00 0.00 O ATOM 841 CB GLU A 59 6.169 -11.291 4.986 1.00 0.00 C ATOM 842 CG GLU A 59 6.906 -11.707 6.248 1.00 0.00 C ATOM 843 CD GLU A 59 6.010 -12.431 7.234 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.634 -13.588 6.955 1.00 0.00 O ATOM 845 OE2 GLU A 59 5.685 -11.840 8.285 1.00 0.00 O ATOM 0 H GLU A 59 7.708 -9.362 4.466 1.00 0.00 H new ATOM 0 HA GLU A 59 7.628 -12.154 3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.712 -10.314 5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.358 -11.995 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.742 -12.353 5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.327 -10.823 6.727 1.00 0.00 H new ATOM 852 N GLY A 60 6.566 -11.793 1.442 1.00 0.00 N ATOM 853 CA GLY A 60 5.821 -11.717 0.199 1.00 0.00 C ATOM 854 C GLY A 60 4.328 -11.873 0.407 1.00 0.00 C ATOM 855 O GLY A 60 3.528 -11.232 -0.275 1.00 0.00 O ATOM 0 H GLY A 60 7.358 -12.436 1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.019 -10.759 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 60 6.173 -12.494 -0.480 1.00 0.00 H new ATOM 859 N ASP A 61 3.950 -12.728 1.351 1.00 0.00 N ATOM 860 CA ASP A 61 2.542 -12.968 1.647 1.00 0.00 C ATOM 861 C ASP A 61 1.858 -11.684 2.108 1.00 0.00 C ATOM 862 O ASP A 61 0.853 -11.264 1.534 1.00 0.00 O ATOM 863 CB ASP A 61 2.401 -14.049 2.720 1.00 0.00 C ATOM 864 CG ASP A 61 3.066 -15.351 2.319 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.305 -15.446 2.439 1.00 0.00 O ATOM 866 OD2 ASP A 61 2.347 -16.276 1.885 1.00 0.00 O ATOM 0 H ASP A 61 4.599 -13.267 1.925 1.00 0.00 H new ATOM 0 HA ASP A 61 2.057 -13.310 0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.840 -13.692 3.652 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.344 -14.229 2.914 1.00 0.00 H new ATOM 871 N TRP A 62 2.408 -11.067 3.148 1.00 0.00 N ATOM 872 CA TRP A 62 1.850 -9.832 3.686 1.00 0.00 C ATOM 873 C TRP A 62 2.943 -8.793 3.910 1.00 0.00 C ATOM 874 O TRP A 62 4.012 -9.107 4.433 1.00 0.00 O ATOM 875 CB TRP A 62 1.117 -10.110 4.999 1.00 0.00 C ATOM 876 CG TRP A 62 0.016 -11.118 4.863 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.154 -12.455 4.623 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.391 -10.869 4.957 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.082 -13.052 4.562 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.046 -12.101 4.765 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.161 -9.726 5.188 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.433 -12.219 4.795 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.537 -9.844 5.217 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.162 -11.083 5.022 1.00 0.00 C ATOM 0 H TRP A 62 3.239 -11.402 3.635 1.00 0.00 H new ATOM 0 HA TRP A 62 1.141 -9.435 2.959 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.834 -10.464 5.739 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.701 -9.177 5.379 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.096 -12.968 4.499 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.254 -14.043 4.393 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.688 -8.767 5.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.916 -13.173 4.645 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.141 -8.966 5.393 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.240 -11.143 5.051 1.00 0.00 H new ATOM 895 N TRP A 63 2.668 -7.557 3.512 1.00 0.00 N ATOM 896 CA TRP A 63 3.629 -6.471 3.670 1.00 0.00 C ATOM 897 C TRP A 63 3.181 -5.501 4.758 1.00 0.00 C ATOM 898 O TRP A 63 1.989 -5.243 4.918 1.00 0.00 O ATOM 899 CB TRP A 63 3.810 -5.725 2.347 1.00 0.00 C ATOM 900 CG TRP A 63 4.470 -6.551 1.285 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.260 -7.649 1.473 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.398 -6.344 -0.130 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.684 -8.137 0.260 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.168 -7.354 -0.739 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.756 -5.405 -0.942 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.313 -7.449 -2.120 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.902 -5.500 -2.313 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.674 -6.516 -2.891 1.00 0.00 C ATOM 0 H TRP A 63 1.787 -7.281 3.077 1.00 0.00 H new ATOM 0 HA TRP A 63 4.584 -6.905 3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.835 -5.396 1.988 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.405 -4.829 2.522 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.514 -8.072 2.434 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.285 -8.950 0.125 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.157 -4.619 -0.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.909 -8.231 -2.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.412 -4.778 -2.950 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.767 -6.564 -3.966 1.00 0.00 H new ATOM 919 N GLU A 64 4.144 -4.967 5.502 1.00 0.00 N ATOM 920 CA GLU A 64 3.846 -4.026 6.575 1.00 0.00 C ATOM 921 C GLU A 64 3.854 -2.590 6.057 1.00 0.00 C ATOM 922 O GLU A 64 4.854 -2.119 5.517 1.00 0.00 O ATOM 923 CB GLU A 64 4.861 -4.175 7.711 1.00 0.00 C ATOM 924 CG GLU A 64 4.541 -3.324 8.928 1.00 0.00 C ATOM 925 CD GLU A 64 5.350 -3.723 10.148 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.490 -4.201 9.974 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.842 -3.555 11.276 1.00 0.00 O ATOM 0 H GLU A 64 5.136 -5.170 5.382 1.00 0.00 H new ATOM 0 HA GLU A 64 2.850 -4.252 6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.906 -5.222 8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.850 -3.907 7.341 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.734 -2.277 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.479 -3.409 9.157 1.00 0.00 H new ATOM 934 N ALA A 65 2.730 -1.901 6.226 1.00 0.00 N ATOM 935 CA ALA A 65 2.606 -0.520 5.777 1.00 0.00 C ATOM 936 C ALA A 65 1.840 0.321 6.793 1.00 0.00 C ATOM 937 O ALA A 65 1.118 -0.212 7.635 1.00 0.00 O ATOM 938 CB ALA A 65 1.921 -0.465 4.420 1.00 0.00 C ATOM 0 H ALA A 65 1.892 -2.277 6.671 1.00 0.00 H new ATOM 0 HA ALA A 65 3.609 -0.104 5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.835 0.573 4.097 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.510 -1.024 3.692 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.926 -0.904 4.496 1.00 0.00 H new ATOM 944 N ARG A 66 2.004 1.637 6.709 1.00 0.00 N ATOM 945 CA ARG A 66 1.329 2.551 7.622 1.00 0.00 C ATOM 946 C ARG A 66 0.456 3.540 6.856 1.00 0.00 C ATOM 947 O ARG A 66 0.960 4.466 6.221 1.00 0.00 O ATOM 948 CB ARG A 66 2.354 3.309 8.469 1.00 0.00 C ATOM 949 CG ARG A 66 1.731 4.314 9.423 1.00 0.00 C ATOM 950 CD ARG A 66 2.685 5.459 9.726 1.00 0.00 C ATOM 951 NE ARG A 66 2.470 6.012 11.061 1.00 0.00 N ATOM 952 CZ ARG A 66 3.032 7.136 11.490 1.00 0.00 C ATOM 953 NH1 ARG A 66 3.839 7.824 10.693 1.00 0.00 N ATOM 954 NH2 ARG A 66 2.788 7.575 12.718 1.00 0.00 N ATOM 0 H ARG A 66 2.599 2.094 6.018 1.00 0.00 H new ATOM 0 HA ARG A 66 0.689 1.961 8.279 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.941 2.591 9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.046 3.830 7.807 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.813 4.709 8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.455 3.814 10.351 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.713 5.107 9.641 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.555 6.245 8.983 1.00 0.00 H new ATOM 0 HE ARG A 66 1.854 5.507 11.699 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.029 7.490 9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.269 8.687 11.025 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.168 7.049 13.334 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.220 8.439 13.046 1.00 0.00 H new ATOM 968 N SER A 67 -0.856 3.335 6.918 1.00 0.00 N ATOM 969 CA SER A 67 -1.799 4.206 6.227 1.00 0.00 C ATOM 970 C SER A 67 -1.440 5.673 6.438 1.00 0.00 C ATOM 971 O SER A 67 -1.004 6.067 7.521 1.00 0.00 O ATOM 972 CB SER A 67 -3.224 3.942 6.718 1.00 0.00 C ATOM 973 OG SER A 67 -3.423 2.566 6.990 1.00 0.00 O ATOM 0 H SER A 67 -1.290 2.573 7.440 1.00 0.00 H new ATOM 0 HA SER A 67 -1.743 3.987 5.161 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.416 4.525 7.619 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.939 4.274 5.965 1.00 0.00 H new ATOM 0 HG SER A 67 -3.414 2.062 6.150 1.00 0.00 H new ATOM 979 N ILE A 68 -1.625 6.477 5.397 1.00 0.00 N ATOM 980 CA ILE A 68 -1.322 7.901 5.468 1.00 0.00 C ATOM 981 C ILE A 68 -2.560 8.709 5.840 1.00 0.00 C ATOM 982 O ILE A 68 -2.464 9.739 6.506 1.00 0.00 O ATOM 983 CB ILE A 68 -0.763 8.425 4.132 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.221 7.417 3.534 1.00 0.00 C ATOM 985 CG2 ILE A 68 -0.091 9.775 4.332 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.576 7.701 2.092 1.00 0.00 C ATOM 0 H ILE A 68 -1.983 6.167 4.494 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.565 8.024 6.242 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.591 8.553 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.133 7.415 4.130 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.208 6.417 3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.299 10.132 3.379 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.818 10.490 4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.728 9.672 5.043 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.277 6.947 1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.327 7.674 1.483 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.035 8.687 2.018 1.00 0.00 H new ATOM 998 N ALA A 69 -3.723 8.233 5.407 1.00 0.00 N ATOM 999 CA ALA A 69 -4.981 8.909 5.698 1.00 0.00 C ATOM 1000 C ALA A 69 -5.491 8.544 7.088 1.00 0.00 C ATOM 1001 O ALA A 69 -5.724 9.418 7.925 1.00 0.00 O ATOM 1002 CB ALA A 69 -6.022 8.563 4.644 1.00 0.00 C ATOM 0 H ALA A 69 -3.820 7.382 4.853 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.801 9.984 5.676 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.957 9.075 4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.666 8.880 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.190 7.486 4.638 1.00 0.00 H new ATOM 1008 N THR A 70 -5.664 7.248 7.329 1.00 0.00 N ATOM 1009 CA THR A 70 -6.149 6.768 8.617 1.00 0.00 C ATOM 1010 C THR A 70 -5.023 6.716 9.643 1.00 0.00 C ATOM 1011 O THR A 70 -5.264 6.782 10.848 1.00 0.00 O ATOM 1012 CB THR A 70 -6.781 5.369 8.493 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.791 4.418 8.086 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.925 5.379 7.490 1.00 0.00 C ATOM 0 H THR A 70 -5.475 6.512 6.649 1.00 0.00 H new ATOM 0 HA THR A 70 -6.910 7.473 8.952 1.00 0.00 H new ATOM 0 HB THR A 70 -7.176 5.086 9.468 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.181 3.519 8.088 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.356 4.380 7.419 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.691 6.082 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.549 5.682 6.513 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.791 6.597 9.158 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.646 6.538 10.047 1.00 0.00 C ATOM 1024 C GLY A 71 -2.505 5.189 10.722 1.00 0.00 C ATOM 1025 O GLY A 71 -1.742 5.040 11.677 1.00 0.00 O ATOM 0 H GLY A 71 -3.566 6.540 8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.740 6.754 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.740 7.313 10.807 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.243 4.201 10.227 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.198 2.856 10.788 1.00 0.00 C ATOM 1031 C LYS A 72 -1.879 2.169 10.450 1.00 0.00 C ATOM 1032 O LYS A 72 -1.053 2.715 9.718 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.369 2.023 10.262 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.730 2.579 10.641 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.852 1.644 10.219 1.00 0.00 C ATOM 1036 CE LYS A 72 -8.114 1.885 11.033 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.529 3.315 11.003 1.00 0.00 N ATOM 0 H LYS A 72 -3.880 4.307 9.438 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.276 2.938 11.872 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.301 1.961 9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.282 1.006 10.645 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.772 2.736 11.719 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.870 3.552 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.068 1.787 9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.531 0.610 10.342 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.921 1.264 10.644 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.945 1.578 12.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.453 3.418 11.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.823 3.892 11.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.601 3.635 10.016 1.00 0.00 H new ATOM 1051 N SER A 73 -1.688 0.968 10.986 1.00 0.00 N ATOM 1052 CA SER A 73 -0.468 0.208 10.743 1.00 0.00 C ATOM 1053 C SER A 73 -0.704 -1.284 10.963 1.00 0.00 C ATOM 1054 O SER A 73 -1.422 -1.682 11.879 1.00 0.00 O ATOM 1055 CB SER A 73 0.655 0.698 11.660 1.00 0.00 C ATOM 1056 OG SER A 73 0.253 0.671 13.018 1.00 0.00 O ATOM 0 H SER A 73 -2.363 0.500 11.591 1.00 0.00 H new ATOM 0 HA SER A 73 -0.174 0.363 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.537 0.072 11.526 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.939 1.713 11.382 1.00 0.00 H new ATOM 0 HG SER A 73 0.989 0.987 13.583 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.093 -2.105 10.114 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.249 -3.543 10.230 1.00 0.00 C ATOM 1064 C GLY A 74 0.340 -4.288 9.049 1.00 0.00 C ATOM 1065 O GLY A 74 1.438 -3.971 8.591 1.00 0.00 O ATOM 0 H GLY A 74 0.507 -1.800 9.348 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.231 -3.884 11.147 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.308 -3.784 10.316 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.390 -5.281 8.554 1.00 0.00 N ATOM 1070 CA TYR A 75 0.068 -6.076 7.421 1.00 0.00 C ATOM 1071 C TYR A 75 -1.029 -6.210 6.370 1.00 0.00 C ATOM 1072 O TYR A 75 -2.158 -6.591 6.680 1.00 0.00 O ATOM 1073 CB TYR A 75 0.512 -7.463 7.891 1.00 0.00 C ATOM 1074 CG TYR A 75 1.546 -7.427 8.994 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.638 -6.572 8.921 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.430 -8.248 10.108 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.586 -6.535 9.926 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.371 -8.218 11.119 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.447 -7.360 11.023 1.00 0.00 C ATOM 1080 OH TYR A 75 4.388 -7.328 12.027 1.00 0.00 O ATOM 0 H TYR A 75 -1.302 -5.555 8.920 1.00 0.00 H new ATOM 0 HA TYR A 75 0.917 -5.563 6.970 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.360 -8.015 8.240 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.918 -8.012 7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.748 -5.925 8.064 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.589 -8.922 10.185 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.430 -5.865 9.853 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.265 -8.862 11.979 1.00 0.00 H new ATOM 0 HH TYR A 75 4.142 -7.969 12.727 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.688 -5.894 5.125 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.643 -5.980 4.027 1.00 0.00 C ATOM 1092 C ILE A 76 -1.155 -6.942 2.949 1.00 0.00 C ATOM 1093 O ILE A 76 0.035 -7.020 2.644 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.896 -4.600 3.391 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.575 -3.972 2.942 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.615 -3.688 4.374 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.751 -2.680 2.175 1.00 0.00 C ATOM 0 H ILE A 76 0.242 -5.576 4.852 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.576 -6.353 4.449 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.531 -4.730 2.515 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.045 -3.783 3.818 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.036 -4.685 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.787 -2.717 3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.571 -4.132 4.650 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.003 -3.561 5.267 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.226 -2.291 1.888 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.344 -2.866 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.262 -1.950 2.803 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.096 -7.692 2.356 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.787 -8.661 1.300 1.00 0.00 C ATOM 1111 C PRO A 77 -1.365 -7.987 -0.001 1.00 0.00 C ATOM 1112 O PRO A 77 -2.137 -7.241 -0.603 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.107 -9.412 1.110 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.156 -8.454 1.560 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.534 -7.651 2.669 1.00 0.00 C ATOM 0 HA PRO A 77 -0.950 -9.305 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.253 -9.699 0.069 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.129 -10.329 1.699 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.472 -7.808 0.741 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.043 -8.982 1.910 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.912 -6.629 2.686 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.745 -8.085 3.646 1.00 0.00 H new ATOM 1123 N SER A 78 -0.135 -8.254 -0.429 1.00 0.00 N ATOM 1124 CA SER A 78 0.390 -7.669 -1.657 1.00 0.00 C ATOM 1125 C SER A 78 -0.393 -8.160 -2.871 1.00 0.00 C ATOM 1126 O SER A 78 -0.181 -7.695 -3.989 1.00 0.00 O ATOM 1127 CB SER A 78 1.872 -8.016 -1.819 1.00 0.00 C ATOM 1128 OG SER A 78 2.048 -9.401 -2.060 1.00 0.00 O ATOM 0 H SER A 78 0.516 -8.871 0.056 1.00 0.00 H new ATOM 0 HA SER A 78 0.282 -6.586 -1.589 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.295 -7.443 -2.645 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.417 -7.728 -0.920 1.00 0.00 H new ATOM 0 HG SER A 78 2.559 -9.799 -1.324 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.301 -9.103 -2.639 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.117 -9.658 -3.713 1.00 0.00 C ATOM 1136 C ASN A 79 -3.373 -8.820 -3.930 1.00 0.00 C ATOM 1137 O ASN A 79 -4.174 -9.102 -4.822 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.504 -11.104 -3.392 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.316 -12.045 -3.445 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.725 -12.374 -2.416 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -0.961 -12.483 -4.647 1.00 0.00 N ATOM 0 H ASN A 79 -1.490 -9.498 -1.718 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.528 -9.641 -4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.953 -11.145 -2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.262 -11.440 -4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.169 -13.119 -4.745 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.480 -12.184 -5.473 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.539 -7.789 -3.110 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.698 -6.910 -3.211 1.00 0.00 C ATOM 1150 C TYR A 80 -4.270 -5.476 -3.505 1.00 0.00 C ATOM 1151 O TYR A 80 -4.990 -4.722 -4.160 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.513 -6.956 -1.917 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.576 -8.032 -1.909 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.308 -9.304 -2.398 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.847 -7.775 -1.411 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.276 -10.290 -2.393 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.822 -8.755 -1.401 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.531 -10.010 -1.894 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.498 -10.989 -1.886 1.00 0.00 O ATOM 0 H TYR A 80 -2.885 -7.541 -2.367 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.318 -7.261 -4.036 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.837 -7.118 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.987 -5.987 -1.762 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.326 -9.526 -2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.077 -6.793 -1.025 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.051 -11.274 -2.777 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.805 -8.539 -1.010 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.324 -10.629 -1.501 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.091 -5.104 -3.015 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.565 -3.761 -3.226 1.00 0.00 C ATOM 1171 C VAL A 81 -1.461 -3.762 -4.277 1.00 0.00 C ATOM 1172 O VAL A 81 -0.646 -4.683 -4.336 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.013 -3.163 -1.918 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.103 -3.097 -0.859 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.825 -3.973 -1.422 1.00 0.00 C ATOM 0 H VAL A 81 -2.483 -5.714 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.395 -3.147 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.673 -2.147 -2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.694 -2.672 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.920 -2.471 -1.217 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.477 -4.101 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.448 -3.536 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.137 -5.001 -1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.038 -3.963 -2.176 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.439 -2.724 -5.106 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.434 -2.603 -6.155 1.00 0.00 C ATOM 1187 C VAL A 82 0.202 -1.218 -6.151 1.00 0.00 C ATOM 1188 O VAL A 82 -0.404 -0.231 -5.733 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.038 -2.875 -7.546 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.064 -3.996 -7.473 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.660 -1.607 -8.112 1.00 0.00 C ATOM 0 H VAL A 82 -2.107 -1.954 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 82 0.331 -3.351 -5.947 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.238 -3.191 -8.216 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.480 -4.174 -8.465 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.584 -4.906 -7.112 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.864 -3.713 -6.790 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.082 -1.816 -9.095 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.449 -1.260 -7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.895 -0.836 -8.202 1.00 0.00 H new ATOM 1201 N PRO A 83 1.453 -1.139 -6.628 1.00 0.00 N ATOM 1202 CA PRO A 83 2.199 0.121 -6.691 1.00 0.00 C ATOM 1203 C PRO A 83 1.635 1.076 -7.737 1.00 0.00 C ATOM 1204 O PRO A 83 1.352 0.677 -8.866 1.00 0.00 O ATOM 1205 CB PRO A 83 3.612 -0.321 -7.076 1.00 0.00 C ATOM 1206 CG PRO A 83 3.423 -1.615 -7.790 1.00 0.00 C ATOM 1207 CD PRO A 83 2.236 -2.275 -7.142 1.00 0.00 C ATOM 0 HA PRO A 83 2.152 0.670 -5.750 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.097 0.417 -7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.242 -0.443 -6.195 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.247 -1.452 -8.853 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.312 -2.241 -7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.664 -2.866 -7.858 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.539 -2.950 -6.341 1.00 0.00 H new ATOM 1215 N ALA A 84 1.476 2.339 -7.355 1.00 0.00 N ATOM 1216 CA ALA A 84 0.949 3.351 -8.262 1.00 0.00 C ATOM 1217 C ALA A 84 1.883 3.565 -9.449 1.00 0.00 C ATOM 1218 O ALA A 84 1.561 4.305 -10.378 1.00 0.00 O ATOM 1219 CB ALA A 84 0.728 4.661 -7.520 1.00 0.00 C ATOM 0 H ALA A 84 1.705 2.686 -6.423 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.008 2.997 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.334 5.408 -8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.016 4.504 -6.709 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.675 5.010 -7.109 1.00 0.00 H new ATOM 1225 N ASP A 85 3.039 2.912 -9.411 1.00 0.00 N ATOM 1226 CA ASP A 85 4.019 3.030 -10.484 1.00 0.00 C ATOM 1227 C ASP A 85 3.881 1.879 -11.476 1.00 0.00 C ATOM 1228 O ASP A 85 3.962 2.077 -12.688 1.00 0.00 O ATOM 1229 CB ASP A 85 5.436 3.056 -9.909 1.00 0.00 C ATOM 1230 CG ASP A 85 6.467 3.500 -10.928 1.00 0.00 C ATOM 1231 OD1 ASP A 85 6.080 4.166 -11.910 1.00 0.00 O ATOM 1232 OD2 ASP A 85 7.660 3.182 -10.743 1.00 0.00 O ATOM 0 H ASP A 85 3.320 2.295 -8.649 1.00 0.00 H new ATOM 0 HA ASP A 85 3.832 3.965 -11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.464 3.728 -9.051 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.695 2.062 -9.544 1.00 0.00 H new ATOM 1237 N SER A 86 3.672 0.675 -10.952 1.00 0.00 N ATOM 1238 CA SER A 86 3.527 -0.509 -11.791 1.00 0.00 C ATOM 1239 C SER A 86 2.083 -1.001 -11.791 1.00 0.00 C ATOM 1240 O SER A 86 1.816 -2.174 -12.052 1.00 0.00 O ATOM 1241 CB SER A 86 4.457 -1.622 -11.304 1.00 0.00 C ATOM 1242 OG SER A 86 5.710 -1.565 -11.962 1.00 0.00 O ATOM 0 H SER A 86 3.599 0.494 -9.951 1.00 0.00 H new ATOM 0 HA SER A 86 3.800 -0.237 -12.811 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.604 -1.532 -10.228 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.993 -2.592 -11.483 1.00 0.00 H new ATOM 0 HG SER A 86 6.286 -2.286 -11.632 1.00 0.00 H new ATOM 1248 N ILE A 87 1.156 -0.096 -11.497 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.260 -0.436 -11.464 1.00 0.00 C ATOM 1250 C ILE A 87 -0.595 -1.497 -12.508 1.00 0.00 C ATOM 1251 O ILE A 87 -0.692 -1.200 -13.698 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.143 0.802 -11.706 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.474 2.052 -11.131 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.519 0.601 -11.090 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.443 3.178 -10.842 1.00 0.00 C ATOM 0 H ILE A 87 1.361 0.879 -11.278 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.466 -0.830 -10.469 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.264 0.938 -12.781 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.045 1.785 -10.211 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.282 2.405 -11.833 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.131 1.485 -11.270 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.996 -0.269 -11.542 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.417 0.442 -10.016 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.899 4.031 -10.437 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.945 3.472 -11.764 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.184 2.843 -10.117 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.772 -2.732 -12.052 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.098 -3.837 -12.946 1.00 0.00 C ATOM 1269 C GLN A 88 -2.566 -3.792 -13.355 1.00 0.00 C ATOM 1270 O GLN A 88 -2.944 -4.308 -14.406 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.784 -5.175 -12.275 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.392 -5.317 -10.889 1.00 0.00 C ATOM 1273 CD GLN A 88 -1.413 -6.754 -10.405 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -2.442 -7.427 -10.465 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -0.272 -7.232 -9.922 1.00 0.00 N ATOM 0 H GLN A 88 -0.695 -2.993 -11.069 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.487 -3.737 -13.843 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.149 -5.984 -12.908 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.297 -5.291 -12.202 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.826 -4.708 -10.184 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.410 -4.927 -10.901 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.557 -6.639 -9.891 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.225 -8.193 -9.582 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.390 -3.172 -12.517 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.817 -3.058 -12.792 1.00 0.00 C ATOM 1286 C ALA A 89 -5.230 -1.599 -12.953 1.00 0.00 C ATOM 1287 O ALA A 89 -6.373 -1.235 -12.679 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.622 -3.717 -11.682 1.00 0.00 C ATOM 0 H ALA A 89 -3.094 -2.741 -11.641 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.024 -3.572 -13.731 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.686 -3.625 -11.900 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.355 -4.772 -11.616 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.402 -3.227 -10.733 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.293 -0.768 -13.399 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.561 0.651 -13.594 1.00 0.00 C ATOM 1296 C GLU A 90 -5.991 0.873 -14.078 1.00 0.00 C ATOM 1297 O GLU A 90 -6.603 1.900 -13.786 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.572 1.246 -14.600 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.244 0.314 -15.754 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.838 0.516 -16.285 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.326 1.651 -16.195 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.250 -0.463 -16.791 1.00 0.00 O ATOM 0 H GLU A 90 -3.342 -1.054 -13.632 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.439 1.153 -12.634 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.985 2.173 -14.998 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.650 1.506 -14.080 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.360 -0.719 -15.426 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.960 0.474 -16.560 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.516 -0.097 -14.820 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.873 -0.007 -15.346 1.00 0.00 C ATOM 1311 C GLU A 91 -8.806 0.648 -14.332 1.00 0.00 C ATOM 1312 O GLU A 91 -9.748 1.349 -14.702 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.395 -1.397 -15.713 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.631 -2.054 -16.850 1.00 0.00 C ATOM 1315 CD GLU A 91 -7.846 -3.554 -16.908 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -7.452 -4.246 -15.946 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -8.407 -4.035 -17.915 1.00 0.00 O ATOM 0 H GLU A 91 -6.022 -0.954 -15.070 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.848 0.611 -16.243 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.344 -2.039 -14.834 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.446 -1.319 -15.990 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.941 -1.610 -17.796 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.567 -1.848 -16.735 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.538 0.414 -13.053 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.354 0.980 -11.985 1.00 0.00 C ATOM 1326 C TRP A 92 -9.298 2.503 -12.005 1.00 0.00 C ATOM 1327 O TRP A 92 -10.326 3.174 -11.911 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.885 0.458 -10.625 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.517 0.937 -10.245 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.360 0.212 -10.268 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.164 2.246 -9.785 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.308 0.991 -9.849 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.775 2.243 -9.547 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.885 3.420 -9.551 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.097 3.369 -9.087 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.210 4.536 -9.094 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.828 4.505 -8.867 1.00 0.00 C ATOM 0 H TRP A 92 -7.762 -0.164 -12.730 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.386 0.671 -12.149 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.596 0.768 -9.860 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.889 -0.632 -10.641 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.283 -0.822 -10.571 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.337 0.686 -9.775 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.950 3.455 -9.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.032 3.347 -8.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.758 5.448 -8.909 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.330 5.395 -8.511 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.091 3.045 -12.129 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.901 4.490 -12.160 1.00 0.00 C ATOM 1350 C TYR A 93 -8.212 5.051 -13.545 1.00 0.00 C ATOM 1351 O TYR A 93 -8.668 6.186 -13.679 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.466 4.845 -11.764 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.532 4.994 -12.944 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.721 6.001 -13.882 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.459 4.128 -13.118 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.870 6.140 -14.961 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.602 4.261 -14.193 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.812 5.268 -15.113 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.961 5.404 -16.186 1.00 0.00 O ATOM 0 H TYR A 93 -7.230 2.505 -12.210 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.590 4.937 -11.444 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.474 5.776 -11.198 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.079 4.072 -11.100 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.547 6.687 -13.766 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.293 3.338 -12.401 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.032 6.927 -15.682 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.772 3.581 -14.313 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.406 5.086 -16.999 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.962 4.245 -14.572 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.214 4.660 -15.947 1.00 0.00 C ATOM 1371 C PHE A 94 -9.694 4.965 -16.160 1.00 0.00 C ATOM 1372 O PHE A 94 -10.050 5.990 -16.741 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.761 3.571 -16.922 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.341 3.732 -17.383 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -6.003 4.719 -18.295 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.344 2.896 -16.907 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.697 4.871 -18.721 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.037 3.043 -17.329 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.713 4.031 -18.239 1.00 0.00 C ATOM 0 H PHE A 94 -7.585 3.302 -14.478 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.642 5.569 -16.137 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.871 2.598 -16.444 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.419 3.576 -17.791 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.769 5.377 -18.677 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.592 2.120 -16.198 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.446 5.646 -19.430 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.269 2.386 -16.948 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.692 4.146 -18.573 1.00 0.00 H new