USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=15 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 92:sc= 0.844 USER MOD Set 1.2: A 70 THR OG1 : rot -150:sc= -0.901 USER MOD Single : A 28 THR OG1 : rot 28:sc= 0.292 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -62:sc= -0.586 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 20:sc= 0.906! 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= -0.0494 K(o=-0.049,f=-1) USER MOD Single : A 56 ASN : amide:sc= -0.015 K(o=-0.015,f=-1.7) USER MOD Single : A 57 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.2!) 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 38:sc= 0.0132 USER MOD Single : A 78 SER OG : rot 106:sc= 0.348 USER MOD Single : A 79 ASN : amide:sc= -0.652 K(o=-0.65,f=-2.4) 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=-0.000264 X(o=-0.00026,f=0) USER MOD Single : A 93 TYR OH : rot -90:sc=-0.00889! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.759 2.793 -0.956 1.00 0.00 N ATOM 325 CA THR A 28 7.040 2.632 -2.213 1.00 0.00 C ATOM 326 C THR A 28 5.541 2.826 -2.018 1.00 0.00 C ATOM 327 O THR A 28 4.929 2.190 -1.160 1.00 0.00 O ATOM 328 CB THR A 28 7.290 1.242 -2.829 1.00 0.00 C ATOM 329 OG1 THR A 28 8.681 0.913 -2.748 1.00 0.00 O ATOM 330 CG2 THR A 28 6.839 1.205 -4.282 1.00 0.00 C ATOM 0 HA THR A 28 7.417 3.396 -2.893 1.00 0.00 H new ATOM 0 HB THR A 28 6.711 0.510 -2.266 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.083 1.376 -1.984 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.025 0.214 -4.696 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.773 1.427 -4.338 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.395 1.948 -4.855 1.00 0.00 H new ATOM 338 N ILE A 29 4.954 3.708 -2.821 1.00 0.00 N ATOM 339 CA ILE A 29 3.525 3.984 -2.737 1.00 0.00 C ATOM 340 C ILE A 29 2.707 2.817 -3.278 1.00 0.00 C ATOM 341 O ILE A 29 3.041 2.238 -4.312 1.00 0.00 O ATOM 342 CB ILE A 29 3.153 5.262 -3.512 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.553 6.504 -2.714 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.663 5.279 -3.819 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.898 6.584 -1.353 1.00 0.00 C ATOM 0 H ILE A 29 5.446 4.243 -3.537 1.00 0.00 H new ATOM 0 HA ILE A 29 3.292 4.128 -1.682 1.00 0.00 H new ATOM 0 HB ILE A 29 3.699 5.270 -4.455 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.636 6.512 -2.588 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.292 7.394 -3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.415 6.188 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.406 4.409 -4.424 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.099 5.252 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.227 7.490 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.815 6.608 -1.471 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.179 5.712 -0.762 1.00 0.00 H new ATOM 357 N PHE A 30 1.633 2.478 -2.574 1.00 0.00 N ATOM 358 CA PHE A 30 0.765 1.380 -2.984 1.00 0.00 C ATOM 359 C PHE A 30 -0.703 1.742 -2.781 1.00 0.00 C ATOM 360 O PHE A 30 -1.056 2.442 -1.832 1.00 0.00 O ATOM 361 CB PHE A 30 1.103 0.113 -2.196 1.00 0.00 C ATOM 362 CG PHE A 30 2.196 -0.707 -2.819 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.506 -0.255 -2.819 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.914 -1.931 -3.405 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.513 -1.007 -3.393 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.918 -2.688 -3.980 1.00 0.00 C ATOM 367 CZ PHE A 30 4.219 -2.226 -3.973 1.00 0.00 C ATOM 0 H PHE A 30 1.342 2.948 -1.716 1.00 0.00 H new ATOM 0 HA PHE A 30 0.932 1.195 -4.045 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.400 0.392 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.206 -0.500 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.743 0.696 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.898 -2.298 -3.413 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.529 -0.642 -3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.685 -3.640 -4.434 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.005 -2.816 -4.420 1.00 0.00 H new ATOM 377 N VAL A 31 -1.555 1.260 -3.680 1.00 0.00 N ATOM 378 CA VAL A 31 -2.986 1.531 -3.600 1.00 0.00 C ATOM 379 C VAL A 31 -3.785 0.238 -3.481 1.00 0.00 C ATOM 380 O VAL A 31 -3.405 -0.791 -4.038 1.00 0.00 O ATOM 381 CB VAL A 31 -3.478 2.314 -4.832 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.970 2.103 -5.038 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.155 3.793 -4.687 1.00 0.00 C ATOM 0 H VAL A 31 -1.279 0.680 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.144 2.135 -2.707 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.957 1.937 -5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.299 2.664 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.170 1.042 -5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.512 2.451 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.510 4.331 -5.566 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.647 4.187 -3.798 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.077 3.922 -4.593 1.00 0.00 H new ATOM 393 N ALA A 32 -4.893 0.300 -2.750 1.00 0.00 N ATOM 394 CA ALA A 32 -5.748 -0.865 -2.560 1.00 0.00 C ATOM 395 C ALA A 32 -6.818 -0.945 -3.644 1.00 0.00 C ATOM 396 O ALA A 32 -7.716 -0.105 -3.707 1.00 0.00 O ATOM 397 CB ALA A 32 -6.392 -0.828 -1.182 1.00 0.00 C ATOM 0 H ALA A 32 -5.219 1.144 -2.280 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.126 -1.757 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -7.028 -1.704 -1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.615 -0.828 -0.417 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.995 0.075 -1.086 1.00 0.00 H new ATOM 403 N LEU A 33 -6.716 -1.959 -4.495 1.00 0.00 N ATOM 404 CA LEU A 33 -7.675 -2.149 -5.578 1.00 0.00 C ATOM 405 C LEU A 33 -8.979 -2.740 -5.053 1.00 0.00 C ATOM 406 O LEU A 33 -10.063 -2.398 -5.528 1.00 0.00 O ATOM 407 CB LEU A 33 -7.085 -3.061 -6.654 1.00 0.00 C ATOM 408 CG LEU A 33 -5.613 -2.831 -6.997 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.096 -3.938 -7.903 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.424 -1.471 -7.653 1.00 0.00 C ATOM 0 H LEU A 33 -5.979 -2.663 -4.457 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.890 -1.174 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.204 -4.095 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.672 -2.942 -7.565 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.038 -2.849 -6.071 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.047 -3.757 -8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.195 -4.898 -7.397 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.675 -3.953 -8.826 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.370 -1.325 -7.890 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.012 -1.424 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.754 -0.688 -6.970 1.00 0.00 H new ATOM 422 N TYR A 34 -8.868 -3.626 -4.070 1.00 0.00 N ATOM 423 CA TYR A 34 -10.038 -4.264 -3.480 1.00 0.00 C ATOM 424 C TYR A 34 -10.185 -3.881 -2.010 1.00 0.00 C ATOM 425 O TYR A 34 -9.199 -3.609 -1.326 1.00 0.00 O ATOM 426 CB TYR A 34 -9.938 -5.785 -3.615 1.00 0.00 C ATOM 427 CG TYR A 34 -9.213 -6.236 -4.863 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.886 -6.363 -6.072 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.857 -6.535 -4.833 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.228 -6.776 -7.215 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.191 -6.946 -5.971 1.00 0.00 C ATOM 432 CZ TYR A 34 -7.881 -7.065 -7.160 1.00 0.00 C ATOM 433 OH TYR A 34 -7.222 -7.476 -8.295 1.00 0.00 O ATOM 0 H TYR A 34 -7.979 -3.919 -3.665 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.920 -3.915 -4.017 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.424 -6.186 -2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.943 -6.208 -3.616 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.941 -6.135 -6.119 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.314 -6.445 -3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.766 -6.872 -8.146 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.136 -7.173 -5.930 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.278 -7.638 -8.085 1.00 0.00 H new ATOM 443 N ASP A 35 -11.425 -3.863 -1.532 1.00 0.00 N ATOM 444 CA ASP A 35 -11.703 -3.515 -0.144 1.00 0.00 C ATOM 445 C ASP A 35 -11.471 -4.712 0.773 1.00 0.00 C ATOM 446 O ASP A 35 -12.177 -5.717 0.689 1.00 0.00 O ATOM 447 CB ASP A 35 -13.142 -3.018 0.001 1.00 0.00 C ATOM 448 CG ASP A 35 -14.115 -3.802 -0.857 1.00 0.00 C ATOM 449 OD1 ASP A 35 -13.984 -3.753 -2.098 1.00 0.00 O ATOM 450 OD2 ASP A 35 -15.008 -4.465 -0.287 1.00 0.00 O ATOM 0 H ASP A 35 -12.253 -4.085 -2.085 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.020 -2.718 0.149 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.444 -3.090 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.188 -1.964 -0.273 1.00 0.00 H new ATOM 455 N TYR A 36 -10.477 -4.597 1.647 1.00 0.00 N ATOM 456 CA TYR A 36 -10.150 -5.671 2.577 1.00 0.00 C ATOM 457 C TYR A 36 -10.506 -5.280 4.008 1.00 0.00 C ATOM 458 O TYR A 36 -10.809 -4.121 4.289 1.00 0.00 O ATOM 459 CB TYR A 36 -8.663 -6.017 2.486 1.00 0.00 C ATOM 460 CG TYR A 36 -8.224 -7.069 3.480 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.584 -8.401 3.314 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.451 -6.732 4.584 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.186 -9.366 4.220 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.047 -7.690 5.493 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.417 -9.006 5.307 1.00 0.00 C ATOM 466 OH TYR A 36 -7.018 -9.963 6.211 1.00 0.00 O ATOM 0 H TYR A 36 -9.884 -3.771 1.731 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.738 -6.547 2.302 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.441 -6.367 1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.077 -5.112 2.646 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.185 -8.687 2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.161 -5.703 4.734 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.476 -10.397 4.078 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.445 -7.411 6.345 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.482 -9.544 6.916 1.00 0.00 H new ATOM 476 N GLU A 37 -10.466 -6.256 4.909 1.00 0.00 N ATOM 477 CA GLU A 37 -10.784 -6.015 6.312 1.00 0.00 C ATOM 478 C GLU A 37 -9.766 -6.691 7.225 1.00 0.00 C ATOM 479 O GLU A 37 -9.624 -7.913 7.216 1.00 0.00 O ATOM 480 CB GLU A 37 -12.191 -6.523 6.633 1.00 0.00 C ATOM 481 CG GLU A 37 -12.816 -5.858 7.848 1.00 0.00 C ATOM 482 CD GLU A 37 -14.297 -6.156 7.980 1.00 0.00 C ATOM 483 OE1 GLU A 37 -14.640 -7.239 8.498 1.00 0.00 O ATOM 484 OE2 GLU A 37 -15.112 -5.306 7.565 1.00 0.00 O ATOM 0 H GLU A 37 -10.217 -7.221 4.693 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.745 -4.940 6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.834 -6.358 5.768 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.150 -7.599 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.300 -6.195 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.671 -4.780 7.782 1.00 0.00 H new ATOM 491 N ALA A 38 -9.060 -5.886 8.013 1.00 0.00 N ATOM 492 CA ALA A 38 -8.056 -6.406 8.933 1.00 0.00 C ATOM 493 C ALA A 38 -8.632 -7.519 9.802 1.00 0.00 C ATOM 494 O ALA A 38 -9.564 -7.296 10.575 1.00 0.00 O ATOM 495 CB ALA A 38 -7.507 -5.285 9.803 1.00 0.00 C ATOM 0 H ALA A 38 -9.165 -4.872 8.032 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.241 -6.826 8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.758 -5.687 10.485 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.050 -4.524 9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.319 -4.839 10.377 1.00 0.00 H new ATOM 501 N ARG A 39 -8.073 -8.717 9.670 1.00 0.00 N ATOM 502 CA ARG A 39 -8.533 -9.865 10.442 1.00 0.00 C ATOM 503 C ARG A 39 -8.272 -9.657 11.931 1.00 0.00 C ATOM 504 O ARG A 39 -9.134 -9.930 12.768 1.00 0.00 O ATOM 505 CB ARG A 39 -7.836 -11.140 9.964 1.00 0.00 C ATOM 506 CG ARG A 39 -8.415 -11.705 8.677 1.00 0.00 C ATOM 507 CD ARG A 39 -7.390 -12.539 7.925 1.00 0.00 C ATOM 508 NE ARG A 39 -7.832 -12.856 6.569 1.00 0.00 N ATOM 509 CZ ARG A 39 -8.698 -13.823 6.286 1.00 0.00 C ATOM 510 NH1 ARG A 39 -9.212 -14.563 7.258 1.00 0.00 N ATOM 511 NH2 ARG A 39 -9.051 -14.051 5.027 1.00 0.00 N ATOM 0 H ARG A 39 -7.300 -8.918 9.035 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.607 -9.968 10.289 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.777 -10.931 9.815 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.904 -11.896 10.746 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.287 -12.318 8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.758 -10.888 8.042 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.444 -11.999 7.881 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.204 -13.464 8.471 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.455 -12.305 5.798 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.943 -14.391 8.227 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.877 -15.305 7.037 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.657 -13.484 4.276 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.716 -14.794 4.810 1.00 0.00 H new ATOM 525 N THR A 40 -7.078 -9.173 12.256 1.00 0.00 N ATOM 526 CA THR A 40 -6.703 -8.931 13.644 1.00 0.00 C ATOM 527 C THR A 40 -5.954 -7.611 13.789 1.00 0.00 C ATOM 528 O THR A 40 -5.794 -6.866 12.821 1.00 0.00 O ATOM 529 CB THR A 40 -5.825 -10.070 14.196 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.479 -9.922 13.729 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.368 -11.426 13.771 1.00 0.00 C ATOM 0 H THR A 40 -6.353 -8.941 11.577 1.00 0.00 H new ATOM 0 HA THR A 40 -7.629 -8.885 14.218 1.00 0.00 H new ATOM 0 HB THR A 40 -5.839 -10.015 15.285 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.462 -9.992 12.752 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.732 -12.215 14.172 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.382 -11.548 14.153 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.380 -11.488 12.683 1.00 0.00 H new ATOM 539 N THR A 41 -5.494 -7.327 15.003 1.00 0.00 N ATOM 540 CA THR A 41 -4.761 -6.097 15.275 1.00 0.00 C ATOM 541 C THR A 41 -3.522 -5.989 14.394 1.00 0.00 C ATOM 542 O THR A 41 -3.232 -4.928 13.843 1.00 0.00 O ATOM 543 CB THR A 41 -4.336 -6.011 16.753 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.630 -4.788 16.989 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.455 -7.192 17.132 1.00 0.00 C ATOM 0 H THR A 41 -5.616 -7.933 15.814 1.00 0.00 H new ATOM 0 HA THR A 41 -5.436 -5.271 15.051 1.00 0.00 H new ATOM 0 HB THR A 41 -5.235 -6.036 17.369 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.365 -4.740 17.931 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.167 -7.110 18.180 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.005 -8.120 16.979 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.560 -7.193 16.509 1.00 0.00 H new ATOM 553 N GLU A 42 -2.795 -7.095 14.266 1.00 0.00 N ATOM 554 CA GLU A 42 -1.586 -7.123 13.451 1.00 0.00 C ATOM 555 C GLU A 42 -1.902 -6.783 11.997 1.00 0.00 C ATOM 556 O GLU A 42 -1.095 -6.163 11.304 1.00 0.00 O ATOM 557 CB GLU A 42 -0.921 -8.499 13.532 1.00 0.00 C ATOM 558 CG GLU A 42 -1.420 -9.478 12.483 1.00 0.00 C ATOM 559 CD GLU A 42 -0.680 -10.802 12.523 1.00 0.00 C ATOM 560 OE1 GLU A 42 -1.035 -11.654 13.364 1.00 0.00 O ATOM 561 OE2 GLU A 42 0.252 -10.985 11.713 1.00 0.00 O ATOM 0 H GLU A 42 -3.022 -7.982 14.716 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.899 -6.372 13.840 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.157 -8.379 13.422 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.096 -8.920 14.522 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.485 -9.656 12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.309 -9.033 11.494 1.00 0.00 H new ATOM 568 N ASP A 43 -3.080 -7.195 11.542 1.00 0.00 N ATOM 569 CA ASP A 43 -3.504 -6.934 10.171 1.00 0.00 C ATOM 570 C ASP A 43 -3.885 -5.468 9.989 1.00 0.00 C ATOM 571 O ASP A 43 -4.449 -4.846 10.890 1.00 0.00 O ATOM 572 CB ASP A 43 -4.687 -7.831 9.802 1.00 0.00 C ATOM 573 CG ASP A 43 -4.330 -9.304 9.837 1.00 0.00 C ATOM 574 OD1 ASP A 43 -3.430 -9.716 9.075 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.949 -10.045 10.629 1.00 0.00 O ATOM 0 H ASP A 43 -3.758 -7.711 12.102 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.667 -7.158 9.509 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.510 -7.643 10.491 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.040 -7.569 8.805 1.00 0.00 H new ATOM 580 N LEU A 44 -3.572 -4.922 8.819 1.00 0.00 N ATOM 581 CA LEU A 44 -3.880 -3.529 8.519 1.00 0.00 C ATOM 582 C LEU A 44 -5.206 -3.413 7.774 1.00 0.00 C ATOM 583 O LEU A 44 -5.397 -4.031 6.727 1.00 0.00 O ATOM 584 CB LEU A 44 -2.758 -2.905 7.687 1.00 0.00 C ATOM 585 CG LEU A 44 -2.536 -1.405 7.876 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.814 -0.816 6.674 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.862 -0.694 8.105 1.00 0.00 C ATOM 0 H LEU A 44 -3.105 -5.423 8.063 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.966 -2.990 9.463 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.828 -3.422 7.923 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.968 -3.091 6.634 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.911 -1.258 8.757 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.665 0.253 6.827 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.847 -1.304 6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.412 -0.974 5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.684 0.373 8.238 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.512 -0.850 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.341 -1.096 8.998 1.00 0.00 H new ATOM 599 N SER A 45 -6.118 -2.615 8.320 1.00 0.00 N ATOM 600 CA SER A 45 -7.427 -2.419 7.708 1.00 0.00 C ATOM 601 C SER A 45 -7.362 -1.359 6.613 1.00 0.00 C ATOM 602 O SER A 45 -7.125 -0.182 6.886 1.00 0.00 O ATOM 603 CB SER A 45 -8.453 -2.011 8.768 1.00 0.00 C ATOM 604 OG SER A 45 -8.229 -0.683 9.210 1.00 0.00 O ATOM 0 H SER A 45 -5.975 -2.094 9.185 1.00 0.00 H new ATOM 0 HA SER A 45 -7.735 -3.363 7.258 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.459 -2.096 8.357 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.396 -2.694 9.615 1.00 0.00 H new ATOM 0 HG SER A 45 -7.685 -0.206 8.549 1.00 0.00 H new ATOM 610 N PHE A 46 -7.573 -1.785 5.372 1.00 0.00 N ATOM 611 CA PHE A 46 -7.537 -0.874 4.234 1.00 0.00 C ATOM 612 C PHE A 46 -8.769 -1.057 3.352 1.00 0.00 C ATOM 613 O PHE A 46 -9.447 -2.083 3.418 1.00 0.00 O ATOM 614 CB PHE A 46 -6.268 -1.102 3.411 1.00 0.00 C ATOM 615 CG PHE A 46 -6.107 -2.518 2.936 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.484 -3.464 3.734 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.580 -2.903 1.692 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.335 -4.767 3.299 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.434 -4.205 1.252 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.811 -5.138 2.057 1.00 0.00 C ATOM 0 H PHE A 46 -7.771 -2.756 5.129 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.534 0.146 4.617 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.280 -0.437 2.548 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.401 -0.828 4.012 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.111 -3.180 4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.068 -2.177 1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.847 -5.495 3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.807 -4.492 0.280 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.696 -6.156 1.716 1.00 0.00 H new ATOM 630 N LYS A 47 -9.052 -0.056 2.526 1.00 0.00 N ATOM 631 CA LYS A 47 -10.200 -0.104 1.629 1.00 0.00 C ATOM 632 C LYS A 47 -9.790 0.244 0.201 1.00 0.00 C ATOM 633 O LYS A 47 -8.694 0.753 -0.035 1.00 0.00 O ATOM 634 CB LYS A 47 -11.288 0.860 2.108 1.00 0.00 C ATOM 635 CG LYS A 47 -11.805 0.550 3.502 1.00 0.00 C ATOM 636 CD LYS A 47 -12.787 -0.610 3.487 1.00 0.00 C ATOM 637 CE LYS A 47 -13.479 -0.771 4.833 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.644 -1.695 4.750 1.00 0.00 N ATOM 0 H LYS A 47 -8.501 0.800 2.459 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.594 -1.120 1.638 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.893 1.876 2.094 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.121 0.832 1.406 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.967 0.310 4.157 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.291 1.434 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.534 -0.446 2.710 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.261 -1.531 3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -12.766 -1.150 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.813 0.204 5.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -15.088 -1.778 5.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.336 -1.321 4.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.322 -2.632 4.435 1.00 0.00 H new ATOM 652 N LYS A 48 -10.677 -0.033 -0.748 1.00 0.00 N ATOM 653 CA LYS A 48 -10.410 0.252 -2.153 1.00 0.00 C ATOM 654 C LYS A 48 -10.227 1.750 -2.378 1.00 0.00 C ATOM 655 O LYS A 48 -11.142 2.538 -2.146 1.00 0.00 O ATOM 656 CB LYS A 48 -11.552 -0.270 -3.027 1.00 0.00 C ATOM 657 CG LYS A 48 -11.481 0.204 -4.468 1.00 0.00 C ATOM 658 CD LYS A 48 -12.295 -0.689 -5.390 1.00 0.00 C ATOM 659 CE LYS A 48 -11.893 -0.502 -6.845 1.00 0.00 C ATOM 660 NZ LYS A 48 -12.797 -1.241 -7.769 1.00 0.00 N ATOM 0 H LYS A 48 -11.588 -0.455 -0.570 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.487 -0.256 -2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.542 -1.360 -3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.502 0.046 -2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.849 1.228 -4.534 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.442 0.217 -4.797 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.156 -1.732 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.355 -0.465 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.909 0.559 -7.093 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.869 -0.847 -6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.490 -1.088 -8.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.763 -2.257 -7.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.771 -0.894 -7.653 1.00 0.00 H new ATOM 674 N GLY A 49 -9.039 2.134 -2.833 1.00 0.00 N ATOM 675 CA GLY A 49 -8.758 3.536 -3.084 1.00 0.00 C ATOM 676 C GLY A 49 -7.984 4.184 -1.953 1.00 0.00 C ATOM 677 O GLY A 49 -7.913 5.409 -1.863 1.00 0.00 O ATOM 0 H GLY A 49 -8.266 1.500 -3.033 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.190 3.629 -4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.696 4.071 -3.231 1.00 0.00 H new ATOM 681 N GLU A 50 -7.403 3.359 -1.087 1.00 0.00 N ATOM 682 CA GLU A 50 -6.633 3.860 0.045 1.00 0.00 C ATOM 683 C GLU A 50 -5.144 3.579 -0.143 1.00 0.00 C ATOM 684 O GLU A 50 -4.755 2.483 -0.547 1.00 0.00 O ATOM 685 CB GLU A 50 -7.122 3.221 1.347 1.00 0.00 C ATOM 686 CG GLU A 50 -6.914 4.097 2.570 1.00 0.00 C ATOM 687 CD GLU A 50 -7.825 3.718 3.722 1.00 0.00 C ATOM 688 OE1 GLU A 50 -7.952 2.508 4.003 1.00 0.00 O ATOM 689 OE2 GLU A 50 -8.411 4.631 4.340 1.00 0.00 O ATOM 0 H GLU A 50 -7.451 2.342 -1.148 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.779 4.939 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.183 2.990 1.252 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.602 2.275 1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.876 4.022 2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.090 5.138 2.300 1.00 0.00 H new ATOM 696 N ARG A 51 -4.318 4.577 0.153 1.00 0.00 N ATOM 697 CA ARG A 51 -2.873 4.439 0.014 1.00 0.00 C ATOM 698 C ARG A 51 -2.239 4.011 1.335 1.00 0.00 C ATOM 699 O ARG A 51 -2.859 4.111 2.394 1.00 0.00 O ATOM 700 CB ARG A 51 -2.256 5.757 -0.457 1.00 0.00 C ATOM 701 CG ARG A 51 -2.640 6.136 -1.878 1.00 0.00 C ATOM 702 CD ARG A 51 -1.673 7.152 -2.464 1.00 0.00 C ATOM 703 NE ARG A 51 -2.270 7.905 -3.563 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.816 9.082 -3.980 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.765 9.637 -3.392 1.00 0.00 N ATOM 706 NH2 ARG A 51 -2.413 9.706 -4.987 1.00 0.00 N ATOM 0 H ARG A 51 -4.624 5.490 0.490 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.676 3.668 -0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.565 6.555 0.219 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.170 5.685 -0.390 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.654 5.243 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.650 6.546 -1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.355 7.842 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.779 6.639 -2.819 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.080 7.506 -4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.303 9.160 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.419 10.541 -3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.222 9.282 -5.442 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.063 10.610 -5.306 1.00 0.00 H new ATOM 720 N PHE A 52 -1.001 3.534 1.264 1.00 0.00 N ATOM 721 CA PHE A 52 -0.284 3.089 2.453 1.00 0.00 C ATOM 722 C PHE A 52 1.221 3.060 2.201 1.00 0.00 C ATOM 723 O PHE A 52 1.676 2.606 1.152 1.00 0.00 O ATOM 724 CB PHE A 52 -0.768 1.701 2.877 1.00 0.00 C ATOM 725 CG PHE A 52 -2.260 1.603 3.014 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.056 1.357 1.907 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.867 1.756 4.251 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.430 1.266 2.030 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.240 1.665 4.380 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.023 1.421 3.268 1.00 0.00 C ATOM 0 H PHE A 52 -0.473 3.446 0.396 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.487 3.798 3.256 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.429 0.968 2.145 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.306 1.439 3.829 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.598 1.235 0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.260 1.948 5.123 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.039 1.074 1.159 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.701 1.785 5.349 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.096 1.352 3.366 1.00 0.00 H new ATOM 740 N GLN A 53 1.987 3.550 3.171 1.00 0.00 N ATOM 741 CA GLN A 53 3.440 3.581 3.054 1.00 0.00 C ATOM 742 C GLN A 53 4.044 2.228 3.413 1.00 0.00 C ATOM 743 O GLN A 53 3.977 1.793 4.563 1.00 0.00 O ATOM 744 CB GLN A 53 4.022 4.669 3.958 1.00 0.00 C ATOM 745 CG GLN A 53 3.944 6.064 3.359 1.00 0.00 C ATOM 746 CD GLN A 53 4.074 7.156 4.403 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.531 7.047 5.503 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.796 8.217 4.063 1.00 0.00 N ATOM 0 H GLN A 53 1.626 3.931 4.046 1.00 0.00 H new ATOM 0 HA GLN A 53 3.691 3.807 2.018 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.491 4.661 4.910 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.064 4.432 4.172 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.733 6.181 2.616 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.995 6.178 2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.228 8.265 3.140 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.918 8.984 4.724 1.00 0.00 H new ATOM 757 N ILE A 54 4.635 1.568 2.422 1.00 0.00 N ATOM 758 CA ILE A 54 5.251 0.264 2.635 1.00 0.00 C ATOM 759 C ILE A 54 6.475 0.376 3.538 1.00 0.00 C ATOM 760 O ILE A 54 7.532 0.844 3.113 1.00 0.00 O ATOM 761 CB ILE A 54 5.669 -0.385 1.302 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.468 -0.481 0.359 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.268 -1.762 1.548 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.343 -1.336 0.898 1.00 0.00 C ATOM 0 H ILE A 54 4.700 1.915 1.465 1.00 0.00 H new ATOM 0 HA ILE A 54 4.502 -0.364 3.117 1.00 0.00 H new ATOM 0 HB ILE A 54 6.428 0.241 0.832 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.089 0.522 0.163 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.798 -0.889 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.558 -2.208 0.597 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.146 -1.668 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.530 -2.398 2.036 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.526 -1.359 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.706 -2.350 1.068 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.986 -0.917 1.838 1.00 0.00 H new ATOM 776 N ILE A 55 6.325 -0.058 4.785 1.00 0.00 N ATOM 777 CA ILE A 55 7.418 -0.010 5.747 1.00 0.00 C ATOM 778 C ILE A 55 8.373 -1.183 5.554 1.00 0.00 C ATOM 779 O ILE A 55 9.587 -1.002 5.475 1.00 0.00 O ATOM 780 CB ILE A 55 6.895 -0.022 7.195 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.845 1.074 7.390 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.044 0.158 8.176 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.817 0.744 8.450 1.00 0.00 C ATOM 0 H ILE A 55 5.457 -0.447 5.152 1.00 0.00 H new ATOM 0 HA ILE A 55 7.952 0.923 5.570 1.00 0.00 H new ATOM 0 HB ILE A 55 6.427 -0.987 7.388 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.347 2.003 7.659 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.335 1.250 6.443 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.657 0.147 9.195 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.760 -0.654 8.051 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.539 1.110 7.986 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.105 1.565 8.534 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.288 -0.168 8.173 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.316 0.597 9.408 1.00 0.00 H new ATOM 795 N ASN A 56 7.814 -2.387 5.476 1.00 0.00 N ATOM 796 CA ASN A 56 8.616 -3.591 5.290 1.00 0.00 C ATOM 797 C ASN A 56 7.977 -4.517 4.260 1.00 0.00 C ATOM 798 O ASN A 56 6.806 -4.878 4.377 1.00 0.00 O ATOM 799 CB ASN A 56 8.783 -4.328 6.620 1.00 0.00 C ATOM 800 CG ASN A 56 10.091 -5.091 6.699 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.731 -5.353 5.680 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.494 -5.451 7.912 1.00 0.00 N ATOM 0 H ASN A 56 6.810 -2.554 5.539 1.00 0.00 H new ATOM 0 HA ASN A 56 9.597 -3.290 4.923 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.735 -3.610 7.439 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.953 -5.021 6.755 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.367 -5.966 8.027 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.931 -5.212 8.728 1.00 0.00 H new ATOM 809 N ASN A 57 8.754 -4.898 3.251 1.00 0.00 N ATOM 810 CA ASN A 57 8.264 -5.782 2.200 1.00 0.00 C ATOM 811 C ASN A 57 9.127 -7.035 2.097 1.00 0.00 C ATOM 812 O ASN A 57 9.496 -7.461 1.001 1.00 0.00 O ATOM 813 CB ASN A 57 8.245 -5.049 0.856 1.00 0.00 C ATOM 814 CG ASN A 57 9.618 -4.548 0.453 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.616 -5.256 0.592 1.00 0.00 O ATOM 816 ND2 ASN A 57 9.675 -3.320 -0.051 1.00 0.00 N ATOM 0 H ASN A 57 9.726 -4.608 3.139 1.00 0.00 H new ATOM 0 HA ASN A 57 7.248 -6.083 2.456 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.865 -5.719 0.085 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.556 -4.206 0.914 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.571 -2.929 -0.341 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.822 -2.769 -0.148 1.00 0.00 H new ATOM 823 N THR A 58 9.446 -7.624 3.245 1.00 0.00 N ATOM 824 CA THR A 58 10.266 -8.828 3.285 1.00 0.00 C ATOM 825 C THR A 58 9.430 -10.072 3.004 1.00 0.00 C ATOM 826 O THR A 58 9.859 -10.966 2.276 1.00 0.00 O ATOM 827 CB THR A 58 10.962 -8.988 4.650 1.00 0.00 C ATOM 828 OG1 THR A 58 11.736 -10.194 4.666 1.00 0.00 O ATOM 829 CG2 THR A 58 9.942 -9.019 5.778 1.00 0.00 C ATOM 0 H THR A 58 9.148 -7.286 4.160 1.00 0.00 H new ATOM 0 HA THR A 58 11.024 -8.721 2.509 1.00 0.00 H new ATOM 0 HB THR A 58 11.620 -8.132 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.177 -10.288 5.536 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.457 -9.133 6.732 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.374 -8.088 5.781 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.262 -9.858 5.631 1.00 0.00 H new ATOM 837 N GLU A 59 8.236 -10.121 3.587 1.00 0.00 N ATOM 838 CA GLU A 59 7.341 -11.256 3.398 1.00 0.00 C ATOM 839 C GLU A 59 6.341 -10.981 2.279 1.00 0.00 C ATOM 840 O GLU A 59 5.422 -10.178 2.437 1.00 0.00 O ATOM 841 CB GLU A 59 6.596 -11.568 4.698 1.00 0.00 C ATOM 842 CG GLU A 59 7.496 -12.097 5.803 1.00 0.00 C ATOM 843 CD GLU A 59 6.740 -12.925 6.824 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.647 -12.494 7.247 1.00 0.00 O ATOM 845 OE2 GLU A 59 7.242 -14.004 7.200 1.00 0.00 O ATOM 0 H GLU A 59 7.867 -9.389 4.193 1.00 0.00 H new ATOM 0 HA GLU A 59 7.945 -12.119 3.117 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.098 -10.664 5.048 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.816 -12.302 4.493 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.287 -12.704 5.363 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.979 -11.259 6.306 1.00 0.00 H new ATOM 852 N GLY A 60 6.527 -11.653 1.148 1.00 0.00 N ATOM 853 CA GLY A 60 5.635 -11.467 0.018 1.00 0.00 C ATOM 854 C GLY A 60 4.176 -11.627 0.399 1.00 0.00 C ATOM 855 O GLY A 60 3.335 -10.813 0.018 1.00 0.00 O ATOM 0 H GLY A 60 7.280 -12.324 0.993 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.790 -10.474 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.885 -12.187 -0.761 1.00 0.00 H new ATOM 859 N ASP A 61 3.875 -12.680 1.152 1.00 0.00 N ATOM 860 CA ASP A 61 2.508 -12.945 1.584 1.00 0.00 C ATOM 861 C ASP A 61 1.835 -11.666 2.072 1.00 0.00 C ATOM 862 O ASP A 61 0.808 -11.250 1.535 1.00 0.00 O ATOM 863 CB ASP A 61 2.497 -13.997 2.694 1.00 0.00 C ATOM 864 CG ASP A 61 3.127 -15.305 2.259 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.371 -15.359 2.157 1.00 0.00 O ATOM 866 OD2 ASP A 61 2.377 -16.274 2.018 1.00 0.00 O ATOM 0 H ASP A 61 4.560 -13.364 1.476 1.00 0.00 H new ATOM 0 HA ASP A 61 1.949 -13.324 0.728 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.032 -13.611 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.469 -14.179 3.008 1.00 0.00 H new ATOM 871 N TRP A 62 2.420 -11.047 3.091 1.00 0.00 N ATOM 872 CA TRP A 62 1.875 -9.816 3.652 1.00 0.00 C ATOM 873 C TRP A 62 2.972 -8.775 3.846 1.00 0.00 C ATOM 874 O TRP A 62 4.088 -9.104 4.248 1.00 0.00 O ATOM 875 CB TRP A 62 1.183 -10.101 4.985 1.00 0.00 C ATOM 876 CG TRP A 62 0.081 -11.112 4.879 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.218 -12.454 4.666 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.325 -10.861 4.978 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.018 -13.052 4.627 1.00 0.00 N ATOM 880 CE2 TRP A 62 -1.981 -12.097 4.816 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.093 -9.713 5.189 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.368 -12.214 4.859 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.470 -9.831 5.231 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.095 -11.074 5.067 1.00 0.00 C ATOM 0 H TRP A 62 3.271 -11.377 3.546 1.00 0.00 H new ATOM 0 HA TRP A 62 1.143 -9.418 2.949 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.924 -10.455 5.702 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.776 -9.171 5.381 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.160 -12.969 4.546 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.191 -14.047 4.481 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.620 -8.751 5.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.853 -13.171 4.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.074 -8.950 5.393 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.173 -11.133 5.106 1.00 0.00 H new ATOM 895 N TRP A 63 2.647 -7.519 3.561 1.00 0.00 N ATOM 896 CA TRP A 63 3.606 -6.430 3.705 1.00 0.00 C ATOM 897 C TRP A 63 3.173 -5.465 4.803 1.00 0.00 C ATOM 898 O TRP A 63 1.982 -5.221 4.992 1.00 0.00 O ATOM 899 CB TRP A 63 3.760 -5.680 2.381 1.00 0.00 C ATOM 900 CG TRP A 63 4.470 -6.474 1.327 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.307 -7.535 1.525 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.407 -6.269 -0.088 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.767 -8.002 0.318 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.230 -7.243 -0.687 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.735 -5.359 -0.908 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.397 -7.330 -2.067 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.902 -5.446 -2.277 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.726 -6.426 -2.846 1.00 0.00 C ATOM 0 H TRP A 63 1.727 -7.230 3.229 1.00 0.00 H new ATOM 0 HA TRP A 63 4.568 -6.861 3.984 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.773 -5.402 2.012 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.307 -4.754 2.558 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.569 -7.946 2.489 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.405 -8.787 0.191 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.096 -4.601 -0.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 6.033 -8.084 -2.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.388 -4.746 -2.920 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.834 -6.469 -3.920 1.00 0.00 H new ATOM 919 N GLU A 64 4.147 -4.919 5.524 1.00 0.00 N ATOM 920 CA GLU A 64 3.864 -3.981 6.604 1.00 0.00 C ATOM 921 C GLU A 64 3.879 -2.543 6.093 1.00 0.00 C ATOM 922 O GLU A 64 4.899 -2.056 5.607 1.00 0.00 O ATOM 923 CB GLU A 64 4.885 -4.143 7.731 1.00 0.00 C ATOM 924 CG GLU A 64 4.539 -3.357 8.985 1.00 0.00 C ATOM 925 CD GLU A 64 5.317 -3.823 10.200 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.560 -3.907 10.114 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.681 -4.105 11.238 1.00 0.00 O ATOM 0 H GLU A 64 5.139 -5.110 5.380 1.00 0.00 H new ATOM 0 HA GLU A 64 2.869 -4.201 6.991 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.967 -5.200 7.986 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.864 -3.825 7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.740 -2.300 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.471 -3.450 9.184 1.00 0.00 H new ATOM 934 N ALA A 65 2.739 -1.869 6.207 1.00 0.00 N ATOM 935 CA ALA A 65 2.620 -0.487 5.759 1.00 0.00 C ATOM 936 C ALA A 65 1.866 0.358 6.779 1.00 0.00 C ATOM 937 O ALA A 65 1.200 -0.173 7.669 1.00 0.00 O ATOM 938 CB ALA A 65 1.926 -0.429 4.406 1.00 0.00 C ATOM 0 H ALA A 65 1.885 -2.258 6.606 1.00 0.00 H new ATOM 0 HA ALA A 65 3.624 -0.076 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.844 0.609 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.507 -0.991 3.675 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.930 -0.863 4.489 1.00 0.00 H new ATOM 944 N ARG A 66 1.975 1.676 6.646 1.00 0.00 N ATOM 945 CA ARG A 66 1.305 2.594 7.558 1.00 0.00 C ATOM 946 C ARG A 66 0.400 3.557 6.793 1.00 0.00 C ATOM 947 O ARG A 66 0.874 4.502 6.163 1.00 0.00 O ATOM 948 CB ARG A 66 2.334 3.382 8.370 1.00 0.00 C ATOM 949 CG ARG A 66 1.717 4.415 9.298 1.00 0.00 C ATOM 950 CD ARG A 66 2.782 5.260 9.979 1.00 0.00 C ATOM 951 NE ARG A 66 3.630 5.954 9.014 1.00 0.00 N ATOM 952 CZ ARG A 66 4.698 5.405 8.446 1.00 0.00 C ATOM 953 NH1 ARG A 66 5.046 4.161 8.744 1.00 0.00 N ATOM 954 NH2 ARG A 66 5.420 6.100 7.576 1.00 0.00 N ATOM 0 H ARG A 66 2.521 2.132 5.915 1.00 0.00 H new ATOM 0 HA ARG A 66 0.689 2.005 8.238 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.929 2.685 8.960 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.017 3.884 7.685 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.047 5.061 8.731 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.112 3.912 10.053 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.303 5.990 10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.400 4.623 10.612 1.00 0.00 H new ATOM 0 HE ARG A 66 3.389 6.913 8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.493 3.623 9.411 1.00 0.00 H new ATOM 0 HH12 ARG A 66 5.867 3.742 8.306 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.155 7.057 7.343 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.240 5.677 7.141 1.00 0.00 H new ATOM 968 N SER A 67 -0.904 3.308 6.853 1.00 0.00 N ATOM 969 CA SER A 67 -1.875 4.149 6.163 1.00 0.00 C ATOM 970 C SER A 67 -1.533 5.626 6.335 1.00 0.00 C ATOM 971 O SER A 67 -1.160 6.066 7.423 1.00 0.00 O ATOM 972 CB SER A 67 -3.285 3.876 6.691 1.00 0.00 C ATOM 973 OG SER A 67 -4.267 4.438 5.838 1.00 0.00 O ATOM 0 H SER A 67 -1.313 2.531 7.372 1.00 0.00 H new ATOM 0 HA SER A 67 -1.839 3.906 5.101 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.444 2.801 6.774 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.388 4.292 7.693 1.00 0.00 H new ATOM 0 HG SER A 67 -4.546 3.771 5.176 1.00 0.00 H new ATOM 979 N ILE A 68 -1.663 6.387 5.253 1.00 0.00 N ATOM 980 CA ILE A 68 -1.369 7.814 5.283 1.00 0.00 C ATOM 981 C ILE A 68 -2.642 8.634 5.469 1.00 0.00 C ATOM 982 O ILE A 68 -2.601 9.757 5.969 1.00 0.00 O ATOM 983 CB ILE A 68 -0.662 8.270 3.994 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.345 7.213 3.537 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.030 9.608 4.214 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.859 7.435 2.131 1.00 0.00 C ATOM 0 H ILE A 68 -1.970 6.039 4.345 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.705 7.982 6.131 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.411 8.394 3.211 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.189 7.205 4.227 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.122 6.230 3.593 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.525 9.917 3.294 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.709 10.357 4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.770 9.509 5.008 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.568 6.648 1.874 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.024 7.413 1.431 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.355 8.404 2.074 1.00 0.00 H new ATOM 998 N ALA A 69 -3.771 8.062 5.064 1.00 0.00 N ATOM 999 CA ALA A 69 -5.057 8.738 5.189 1.00 0.00 C ATOM 1000 C ALA A 69 -5.526 8.761 6.640 1.00 0.00 C ATOM 1001 O ALA A 69 -5.922 9.805 7.159 1.00 0.00 O ATOM 1002 CB ALA A 69 -6.096 8.062 4.307 1.00 0.00 C ATOM 0 H ALA A 69 -3.822 7.133 4.647 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.932 9.769 4.859 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -7.051 8.577 4.410 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.772 8.103 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.210 7.022 4.611 1.00 0.00 H new ATOM 1008 N THR A 70 -5.479 7.603 7.291 1.00 0.00 N ATOM 1009 CA THR A 70 -5.901 7.490 8.681 1.00 0.00 C ATOM 1010 C THR A 70 -4.701 7.481 9.621 1.00 0.00 C ATOM 1011 O THR A 70 -4.715 8.127 10.668 1.00 0.00 O ATOM 1012 CB THR A 70 -6.731 6.214 8.914 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.956 5.057 8.578 1.00 0.00 O ATOM 1014 CG2 THR A 70 -8.005 6.236 8.083 1.00 0.00 C ATOM 0 H THR A 70 -5.153 6.730 6.877 1.00 0.00 H new ATOM 0 HA THR A 70 -6.520 8.361 8.895 1.00 0.00 H new ATOM 0 HB THR A 70 -7.005 6.174 9.968 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.551 4.344 8.266 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.574 5.324 8.265 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.607 7.101 8.362 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.749 6.299 7.025 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.662 6.745 9.239 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.467 6.667 10.059 1.00 0.00 C ATOM 1024 C GLY A 71 -2.325 5.325 10.751 1.00 0.00 C ATOM 1025 O GLY A 71 -1.528 5.177 11.677 1.00 0.00 O ATOM 0 H GLY A 71 -3.626 6.201 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.590 6.846 9.436 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.492 7.458 10.809 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.103 4.345 10.303 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.062 3.009 10.884 1.00 0.00 C ATOM 1031 C LYS A 72 -1.794 2.272 10.465 1.00 0.00 C ATOM 1032 O LYS A 72 -0.997 2.785 9.679 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.294 2.208 10.459 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.605 2.811 10.933 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.767 1.854 10.725 1.00 0.00 C ATOM 1036 CE LYS A 72 -8.065 2.602 10.461 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.695 3.082 11.722 1.00 0.00 N ATOM 0 H LYS A 72 -3.770 4.452 9.539 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.059 3.112 11.969 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.311 2.133 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.209 1.193 10.848 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.528 3.067 11.990 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.796 3.739 10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.550 1.193 9.886 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.882 1.223 11.606 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.868 3.452 9.807 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.760 1.948 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.577 3.586 11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.906 2.269 12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.042 3.726 12.213 1.00 0.00 H new ATOM 1051 N SER A 73 -1.614 1.065 10.993 1.00 0.00 N ATOM 1052 CA SER A 73 -0.442 0.259 10.675 1.00 0.00 C ATOM 1053 C SER A 73 -0.732 -1.225 10.877 1.00 0.00 C ATOM 1054 O SER A 73 -1.408 -1.613 11.829 1.00 0.00 O ATOM 1055 CB SER A 73 0.745 0.681 11.543 1.00 0.00 C ATOM 1056 OG SER A 73 0.398 0.678 12.917 1.00 0.00 O ATOM 0 H SER A 73 -2.265 0.624 11.643 1.00 0.00 H new ATOM 0 HA SER A 73 -0.193 0.423 9.627 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.582 0.003 11.375 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.077 1.677 11.251 1.00 0.00 H new ATOM 0 HG SER A 73 1.174 0.949 13.451 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.215 -2.052 9.973 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.429 -3.484 10.069 1.00 0.00 C ATOM 1064 C GLY A 74 0.202 -4.243 8.919 1.00 0.00 C ATOM 1065 O GLY A 74 1.264 -3.864 8.425 1.00 0.00 O ATOM 0 H GLY A 74 0.348 -1.755 9.176 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.016 -3.848 11.010 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.500 -3.688 10.091 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.450 -5.319 8.494 1.00 0.00 N ATOM 1070 CA TYR A 75 0.057 -6.136 7.397 1.00 0.00 C ATOM 1071 C TYR A 75 -1.010 -6.328 6.323 1.00 0.00 C ATOM 1072 O TYR A 75 -2.063 -6.914 6.576 1.00 0.00 O ATOM 1073 CB TYR A 75 0.521 -7.497 7.920 1.00 0.00 C ATOM 1074 CG TYR A 75 1.520 -7.403 9.050 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.702 -6.687 8.901 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.283 -8.030 10.267 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.618 -6.599 9.931 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.193 -7.946 11.303 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.359 -7.229 11.130 1.00 0.00 C ATOM 1080 OH TYR A 75 4.269 -7.144 12.159 1.00 0.00 O ATOM 0 H TYR A 75 -1.330 -5.646 8.892 1.00 0.00 H new ATOM 0 HA TYR A 75 0.906 -5.616 6.952 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.347 -8.061 8.260 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.966 -8.060 7.099 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.908 -6.191 7.964 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.372 -8.593 10.405 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.532 -6.040 9.798 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.993 -8.439 12.243 1.00 0.00 H new ATOM 0 HH TYR A 75 4.661 -6.246 12.176 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.728 -5.830 5.124 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.661 -5.948 4.010 1.00 0.00 C ATOM 1092 C ILE A 76 -1.132 -6.907 2.949 1.00 0.00 C ATOM 1093 O ILE A 76 0.063 -6.954 2.659 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.934 -4.580 3.358 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.627 -3.956 2.862 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.629 -3.652 4.344 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.823 -2.650 2.125 1.00 0.00 C ATOM 0 H ILE A 76 0.139 -5.341 4.899 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.593 -6.340 4.419 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.592 -4.728 2.502 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.032 -3.788 3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.123 -4.663 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.815 -2.689 3.868 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.577 -4.093 4.653 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.994 -3.508 5.218 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.145 -2.265 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.456 -2.816 1.253 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.299 -1.926 2.787 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.043 -7.692 2.354 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.693 -8.663 1.314 1.00 0.00 C ATOM 1111 C PRO A 77 -1.276 -7.992 0.010 1.00 0.00 C ATOM 1112 O PRO A 77 -2.010 -7.169 -0.538 1.00 0.00 O ATOM 1113 CB PRO A 77 -2.988 -9.455 1.117 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.070 -8.523 1.544 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.486 -7.690 2.651 1.00 0.00 C ATOM 0 HA PRO A 77 -0.840 -9.278 1.602 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.113 -9.757 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.990 -10.366 1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.395 -7.896 0.714 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.945 -9.073 1.890 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.895 -6.680 2.652 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.695 -8.120 3.631 1.00 0.00 H new ATOM 1123 N SER A 78 -0.094 -8.348 -0.482 1.00 0.00 N ATOM 1124 CA SER A 78 0.423 -7.777 -1.720 1.00 0.00 C ATOM 1125 C SER A 78 -0.376 -8.273 -2.922 1.00 0.00 C ATOM 1126 O SER A 78 -0.154 -7.838 -4.051 1.00 0.00 O ATOM 1127 CB SER A 78 1.900 -8.132 -1.894 1.00 0.00 C ATOM 1128 OG SER A 78 2.390 -7.681 -3.144 1.00 0.00 O ATOM 0 H SER A 78 0.524 -9.030 -0.042 1.00 0.00 H new ATOM 0 HA SER A 78 0.323 -6.693 -1.660 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.482 -7.684 -1.089 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.029 -9.212 -1.818 1.00 0.00 H new ATOM 0 HG SER A 78 2.961 -6.896 -3.008 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.306 -9.188 -2.669 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.138 -9.746 -3.729 1.00 0.00 C ATOM 1136 C ASN A 79 -3.390 -8.899 -3.940 1.00 0.00 C ATOM 1137 O ASN A 79 -4.198 -9.177 -4.826 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.534 -11.185 -3.392 1.00 0.00 C ATOM 1139 CG ASN A 79 -3.144 -11.909 -4.576 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -3.201 -11.374 -5.683 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -3.605 -13.133 -4.347 1.00 0.00 N ATOM 0 H ASN A 79 -1.502 -9.559 -1.739 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.558 -9.743 -4.652 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.654 -11.730 -3.050 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.246 -11.179 -2.567 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.027 -13.669 -5.105 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.537 -13.537 -3.413 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.543 -7.865 -3.120 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.696 -6.978 -3.216 1.00 0.00 C ATOM 1150 C TYR A 80 -4.260 -5.547 -3.514 1.00 0.00 C ATOM 1151 O TYR A 80 -4.967 -4.798 -4.189 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.504 -7.017 -1.918 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.581 -8.078 -1.906 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.287 -9.398 -2.225 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.893 -7.761 -1.574 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.268 -10.370 -2.216 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.880 -8.727 -1.561 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.563 -10.030 -1.883 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.543 -10.996 -1.872 1.00 0.00 O ATOM 0 H TYR A 80 -2.883 -7.621 -2.382 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.322 -7.326 -4.038 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.826 -7.191 -1.083 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.964 -6.042 -1.757 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.274 -9.668 -2.484 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.145 -6.742 -1.322 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.023 -11.391 -2.468 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.894 -8.463 -1.300 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.398 -10.592 -1.615 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.090 -5.174 -3.007 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.557 -3.834 -3.220 1.00 0.00 C ATOM 1171 C VAL A 81 -1.472 -3.837 -4.291 1.00 0.00 C ATOM 1172 O VAL A 81 -0.738 -4.814 -4.444 1.00 0.00 O ATOM 1173 CB VAL A 81 -1.975 -3.248 -1.919 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.075 -3.041 -0.888 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.882 -4.152 -1.370 1.00 0.00 C ATOM 0 H VAL A 81 -2.493 -5.781 -2.446 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.389 -3.212 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.533 -2.277 -2.144 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.645 -2.627 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.820 -2.351 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.549 -3.997 -0.664 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.482 -3.723 -0.451 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.297 -5.138 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.083 -4.244 -2.105 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.377 -2.738 -5.033 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.381 -2.613 -6.090 1.00 0.00 C ATOM 1187 C VAL A 82 0.250 -1.226 -6.090 1.00 0.00 C ATOM 1188 O VAL A 82 -0.356 -0.241 -5.665 1.00 0.00 O ATOM 1189 CB VAL A 82 -0.997 -2.884 -7.476 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.020 -4.007 -7.395 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.626 -1.618 -8.036 1.00 0.00 C ATOM 0 H VAL A 82 -1.978 -1.921 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 82 0.388 -3.359 -5.889 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.202 -3.197 -8.153 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.445 -4.184 -8.383 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.535 -4.916 -7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.815 -3.726 -6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.056 -1.828 -9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.410 -1.272 -7.362 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.864 -0.845 -8.133 1.00 0.00 H new ATOM 1201 N PRO A 83 1.497 -1.143 -6.577 1.00 0.00 N ATOM 1202 CA PRO A 83 2.238 0.121 -6.644 1.00 0.00 C ATOM 1203 C PRO A 83 1.663 1.075 -7.685 1.00 0.00 C ATOM 1204 O PRO A 83 1.357 0.673 -8.807 1.00 0.00 O ATOM 1205 CB PRO A 83 3.650 -0.317 -7.042 1.00 0.00 C ATOM 1206 CG PRO A 83 3.458 -1.611 -7.756 1.00 0.00 C ATOM 1207 CD PRO A 83 2.279 -2.275 -7.099 1.00 0.00 C ATOM 0 HA PRO A 83 2.196 0.669 -5.703 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.128 0.423 -7.685 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.288 -0.439 -6.167 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.272 -1.447 -8.818 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.349 -2.234 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.703 -2.867 -7.811 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.591 -2.950 -6.302 1.00 0.00 H new ATOM 1215 N ALA A 84 1.519 2.341 -7.305 1.00 0.00 N ATOM 1216 CA ALA A 84 0.983 3.353 -8.207 1.00 0.00 C ATOM 1217 C ALA A 84 1.907 3.569 -9.401 1.00 0.00 C ATOM 1218 O ALA A 84 1.583 4.320 -10.321 1.00 0.00 O ATOM 1219 CB ALA A 84 0.765 4.661 -7.462 1.00 0.00 C ATOM 0 H ALA A 84 1.766 2.690 -6.379 1.00 0.00 H new ATOM 0 HA ALA A 84 0.024 2.998 -8.583 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.365 5.408 -8.148 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.060 4.502 -6.646 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.714 5.012 -7.057 1.00 0.00 H new ATOM 1225 N ASP A 85 3.059 2.908 -9.379 1.00 0.00 N ATOM 1226 CA ASP A 85 4.030 3.028 -10.460 1.00 0.00 C ATOM 1227 C ASP A 85 3.887 1.876 -11.449 1.00 0.00 C ATOM 1228 O ASP A 85 3.959 2.074 -12.662 1.00 0.00 O ATOM 1229 CB ASP A 85 5.452 3.059 -9.896 1.00 0.00 C ATOM 1230 CG ASP A 85 5.571 3.950 -8.676 1.00 0.00 C ATOM 1231 OD1 ASP A 85 4.939 3.635 -7.647 1.00 0.00 O ATOM 1232 OD2 ASP A 85 6.297 4.964 -8.750 1.00 0.00 O ATOM 0 H ASP A 85 3.343 2.283 -8.624 1.00 0.00 H new ATOM 0 HA ASP A 85 3.836 3.962 -10.987 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.758 2.046 -9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.138 3.410 -10.667 1.00 0.00 H new ATOM 1237 N SER A 86 3.685 0.672 -10.923 1.00 0.00 N ATOM 1238 CA SER A 86 3.537 -0.513 -11.760 1.00 0.00 C ATOM 1239 C SER A 86 2.093 -1.005 -11.754 1.00 0.00 C ATOM 1240 O SER A 86 1.824 -2.178 -12.017 1.00 0.00 O ATOM 1241 CB SER A 86 4.469 -1.625 -11.275 1.00 0.00 C ATOM 1242 OG SER A 86 5.719 -1.570 -11.941 1.00 0.00 O ATOM 0 H SER A 86 3.620 0.491 -9.921 1.00 0.00 H new ATOM 0 HA SER A 86 3.806 -0.243 -12.781 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.622 -1.532 -10.200 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.004 -2.595 -11.448 1.00 0.00 H new ATOM 0 HG SER A 86 6.297 -2.290 -11.612 1.00 0.00 H new ATOM 1248 N ILE A 87 1.168 -0.101 -11.452 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.249 -0.441 -11.413 1.00 0.00 C ATOM 1250 C ILE A 87 -0.589 -1.501 -12.455 1.00 0.00 C ATOM 1251 O ILE A 87 -0.692 -1.204 -13.645 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.133 0.797 -11.649 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.460 2.048 -11.079 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.505 0.596 -11.024 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.424 3.180 -10.801 1.00 0.00 C ATOM 0 H ILE A 87 1.374 0.873 -11.231 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.451 -0.836 -10.417 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.261 0.933 -12.723 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.054 1.785 -10.155 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.300 2.393 -11.780 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.118 1.480 -11.200 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.985 -0.274 -11.473 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.396 0.437 -9.951 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.877 4.033 -10.399 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.920 3.471 -11.727 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.170 2.853 -10.077 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.763 -2.737 -12.000 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.093 -3.841 -12.894 1.00 0.00 C ATOM 1269 C GLN A 88 -2.565 -3.800 -13.289 1.00 0.00 C ATOM 1270 O GLN A 88 -2.955 -4.337 -14.326 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.768 -5.179 -12.227 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.490 -5.392 -10.906 1.00 0.00 C ATOM 1273 CD GLN A 88 -1.013 -6.630 -10.173 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -1.754 -7.602 -10.024 1.00 0.00 O ATOM 1275 NE2 GLN A 88 0.232 -6.600 -9.710 1.00 0.00 N ATOM 0 H GLN A 88 -0.681 -3.000 -11.018 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.491 -3.737 -13.797 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.029 -5.988 -12.909 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.307 -5.239 -12.058 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.342 -4.519 -10.271 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.561 -5.474 -11.091 1.00 0.00 H new ATOM 0 HE21 GLN A 88 0.811 -5.773 -9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.609 -7.404 -9.208 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.379 -3.160 -12.456 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.808 -3.048 -12.720 1.00 0.00 C ATOM 1286 C ALA A 89 -5.223 -1.590 -12.885 1.00 0.00 C ATOM 1287 O ALA A 89 -6.368 -1.227 -12.616 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.604 -3.702 -11.600 1.00 0.00 C ATOM 0 H ALA A 89 -3.073 -2.711 -11.593 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.022 -3.567 -13.654 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.670 -3.611 -11.810 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.336 -4.756 -11.531 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.377 -3.208 -10.656 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.285 -0.759 -13.327 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.555 0.661 -13.526 1.00 0.00 C ATOM 1296 C GLU A 90 -5.986 0.880 -14.007 1.00 0.00 C ATOM 1297 O GLU A 90 -6.601 1.904 -13.710 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.569 1.253 -14.535 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.236 0.316 -15.683 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.831 0.522 -16.216 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -0.933 0.842 -15.410 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.631 0.364 -17.438 1.00 0.00 O ATOM 0 H GLU A 90 -3.332 -1.043 -13.554 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.431 1.167 -12.568 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.986 2.175 -14.939 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.648 1.520 -14.016 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.346 -0.716 -15.349 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.953 0.468 -16.490 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.509 -0.088 -14.752 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.867 0.000 -15.276 1.00 0.00 C ATOM 1311 C GLU A 91 -8.798 0.661 -14.264 1.00 0.00 C ATOM 1312 O GLU A 91 -9.732 1.373 -14.636 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.391 -1.392 -15.634 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.458 -2.180 -16.537 1.00 0.00 C ATOM 1315 CD GLU A 91 -6.476 -3.035 -15.759 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -6.925 -3.819 -14.897 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -5.259 -2.919 -16.012 1.00 0.00 O ATOM 0 H GLU A 91 -6.013 -0.942 -15.006 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.842 0.613 -16.177 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.556 -1.956 -14.716 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.359 -1.291 -16.125 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -8.048 -2.818 -17.194 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.906 -1.489 -17.175 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.537 0.421 -12.984 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.352 0.992 -11.918 1.00 0.00 C ATOM 1326 C TRP A 92 -9.290 2.516 -11.942 1.00 0.00 C ATOM 1327 O TRP A 92 -10.316 3.190 -11.851 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.886 0.472 -10.557 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.513 0.941 -10.180 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.361 0.209 -10.206 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.151 2.247 -9.719 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.304 0.981 -9.789 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.762 2.236 -9.485 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.864 3.426 -9.482 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.076 3.357 -9.026 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.181 4.537 -9.026 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.799 4.497 -8.803 1.00 0.00 C ATOM 0 H TRP A 92 -7.768 -0.165 -12.659 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.385 0.686 -12.081 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.594 0.791 -9.792 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.899 -0.618 -10.568 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.291 -0.825 -10.510 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.335 0.670 -9.717 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.930 3.468 -9.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.011 3.328 -8.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.722 5.452 -8.838 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.294 5.383 -8.448 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.081 3.052 -12.064 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.885 4.496 -12.098 1.00 0.00 C ATOM 1350 C TYR A 93 -8.192 5.055 -13.484 1.00 0.00 C ATOM 1351 O TYR A 93 -8.648 6.191 -13.622 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.451 4.848 -11.700 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.514 4.994 -12.878 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.699 6.001 -13.817 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.443 4.126 -13.052 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.847 6.138 -14.895 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.585 4.256 -14.126 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.791 5.263 -15.045 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.938 5.397 -16.117 1.00 0.00 O ATOM 0 H TYR A 93 -7.222 2.508 -12.141 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.574 4.947 -11.383 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.458 5.780 -11.135 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.067 4.074 -11.035 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.524 6.689 -13.702 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.279 3.336 -12.334 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.006 6.926 -15.617 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.757 3.573 -14.246 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.270 4.862 -16.868 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.938 4.249 -14.510 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.186 4.662 -15.886 1.00 0.00 C ATOM 1371 C PHE A 94 -9.665 4.968 -16.104 1.00 0.00 C ATOM 1372 O PHE A 94 -10.018 5.986 -16.698 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.731 3.571 -16.858 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.311 3.734 -17.321 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.965 4.760 -18.185 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.324 2.862 -16.893 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.660 4.914 -18.613 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.017 3.011 -17.317 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.685 4.038 -18.179 1.00 0.00 C ATOM 0 H PHE A 94 -7.561 3.306 -14.414 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.613 5.570 -16.075 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.838 2.599 -16.377 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.390 3.571 -17.726 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.724 5.448 -18.528 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.578 2.056 -16.220 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.403 5.719 -19.286 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.256 2.325 -16.975 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.665 4.156 -18.513 1.00 0.00 H new