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 -154:sc= 1.08 USER MOD Set 1.2: A 70 THR OG1 : rot -150:sc= -0.0531 USER MOD Single : A 28 THR OG1 : rot 35:sc= 0.191 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.499 USER MOD Single : A 40 THR OG1 : rot -175:sc= -0.724 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot -114:sc= -1.56 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= -0.154 K(o=-0.15,f=-0.82) USER MOD Single : A 56 ASN : amide:sc= -0.056 K(o=-0.056,f=-1.9) USER MOD Single : A 57 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.5!) 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 180:sc= 0 USER MOD Single : A 78 SER OG : rot -106:sc= 0.751 USER MOD Single : A 79 ASN : amide:sc= -2.39 K(o=-2.4,f=-1.7) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 93 TYR OH : rot -75:sc= 0.0759! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.707 2.806 -0.744 1.00 0.00 N ATOM 325 CA THR A 28 7.026 2.803 -2.032 1.00 0.00 C ATOM 326 C THR A 28 5.526 3.015 -1.861 1.00 0.00 C ATOM 327 O THR A 28 4.916 2.480 -0.935 1.00 0.00 O ATOM 328 CB THR A 28 7.264 1.484 -2.791 1.00 0.00 C ATOM 329 OG1 THR A 28 8.662 1.176 -2.811 1.00 0.00 O ATOM 330 CG2 THR A 28 6.738 1.576 -4.215 1.00 0.00 C ATOM 0 HA THR A 28 7.443 3.627 -2.612 1.00 0.00 H new ATOM 0 HB THR A 28 6.725 0.690 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.074 1.473 -1.973 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.918 0.633 -4.731 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.668 1.781 -4.195 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.251 2.381 -4.741 1.00 0.00 H new ATOM 338 N ILE A 29 4.937 3.797 -2.760 1.00 0.00 N ATOM 339 CA ILE A 29 3.508 4.076 -2.709 1.00 0.00 C ATOM 340 C ILE A 29 2.698 2.902 -3.247 1.00 0.00 C ATOM 341 O ILE A 29 3.048 2.308 -4.267 1.00 0.00 O ATOM 342 CB ILE A 29 3.153 5.341 -3.513 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.563 6.596 -2.739 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.664 5.369 -3.826 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.910 6.708 -1.379 1.00 0.00 C ATOM 0 H ILE A 29 5.428 4.248 -3.532 1.00 0.00 H new ATOM 0 HA ILE A 29 3.256 4.238 -1.661 1.00 0.00 H new ATOM 0 HB ILE A 29 3.703 5.321 -4.454 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.646 6.598 -2.614 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.308 7.476 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.429 6.269 -4.394 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.399 4.489 -4.413 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.097 5.369 -2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.247 7.621 -0.888 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.827 6.738 -1.497 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.185 5.846 -0.771 1.00 0.00 H new ATOM 357 N PHE A 30 1.612 2.572 -2.555 1.00 0.00 N ATOM 358 CA PHE A 30 0.751 1.469 -2.963 1.00 0.00 C ATOM 359 C PHE A 30 -0.720 1.826 -2.769 1.00 0.00 C ATOM 360 O PHE A 30 -1.081 2.519 -1.818 1.00 0.00 O ATOM 361 CB PHE A 30 1.091 0.207 -2.167 1.00 0.00 C ATOM 362 CG PHE A 30 2.199 -0.605 -2.774 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.499 -0.127 -2.786 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.940 -1.846 -3.332 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.520 -0.873 -3.345 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.957 -2.596 -3.892 1.00 0.00 C ATOM 367 CZ PHE A 30 4.249 -2.109 -3.898 1.00 0.00 C ATOM 0 H PHE A 30 1.308 3.053 -1.709 1.00 0.00 H new ATOM 0 HA PHE A 30 0.924 1.279 -4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.373 0.492 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.199 -0.414 -2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.717 0.839 -2.354 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.931 -2.232 -3.329 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.529 -0.489 -3.349 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.741 -3.562 -4.324 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.046 -2.693 -4.334 1.00 0.00 H new ATOM 377 N VAL A 31 -1.564 1.348 -3.678 1.00 0.00 N ATOM 378 CA VAL A 31 -2.995 1.615 -3.607 1.00 0.00 C ATOM 379 C VAL A 31 -3.790 0.322 -3.468 1.00 0.00 C ATOM 380 O VAL A 31 -3.395 -0.720 -3.990 1.00 0.00 O ATOM 381 CB VAL A 31 -3.486 2.375 -4.854 1.00 0.00 C ATOM 382 CG1 VAL A 31 -4.977 2.156 -5.060 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.168 3.858 -4.733 1.00 0.00 C ATOM 0 H VAL A 31 -1.281 0.774 -4.472 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.158 2.234 -2.725 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.962 1.984 -5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.306 2.700 -5.945 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.173 1.092 -5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.522 2.518 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.522 4.380 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.664 4.266 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.091 3.992 -4.638 1.00 0.00 H new ATOM 393 N ALA A 32 -4.913 0.397 -2.761 1.00 0.00 N ATOM 394 CA ALA A 32 -5.765 -0.768 -2.555 1.00 0.00 C ATOM 395 C ALA A 32 -6.873 -0.829 -3.601 1.00 0.00 C ATOM 396 O ALA A 32 -7.755 0.030 -3.637 1.00 0.00 O ATOM 397 CB ALA A 32 -6.359 -0.746 -1.155 1.00 0.00 C ATOM 0 H ALA A 32 -5.254 1.252 -2.321 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.150 -1.661 -2.663 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.993 -1.622 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.555 -0.758 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.955 0.158 -1.027 1.00 0.00 H new ATOM 403 N LEU A 33 -6.822 -1.848 -4.451 1.00 0.00 N ATOM 404 CA LEU A 33 -7.821 -2.021 -5.500 1.00 0.00 C ATOM 405 C LEU A 33 -9.126 -2.562 -4.924 1.00 0.00 C ATOM 406 O LEU A 33 -10.214 -2.180 -5.358 1.00 0.00 O ATOM 407 CB LEU A 33 -7.297 -2.968 -6.581 1.00 0.00 C ATOM 408 CG LEU A 33 -5.818 -2.823 -6.940 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.411 -3.874 -7.961 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.531 -1.424 -7.467 1.00 0.00 C ATOM 0 H LEU A 33 -6.099 -2.568 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.017 -1.045 -5.945 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.472 -3.993 -6.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.886 -2.817 -7.485 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.228 -2.977 -6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.355 -3.755 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.578 -4.868 -7.546 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.008 -3.753 -8.865 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.474 -1.339 -7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.131 -1.241 -8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.783 -0.689 -6.703 1.00 0.00 H new ATOM 422 N TYR A 34 -9.011 -3.450 -3.943 1.00 0.00 N ATOM 423 CA TYR A 34 -10.181 -4.044 -3.308 1.00 0.00 C ATOM 424 C TYR A 34 -10.275 -3.629 -1.843 1.00 0.00 C ATOM 425 O TYR A 34 -9.269 -3.297 -1.214 1.00 0.00 O ATOM 426 CB TYR A 34 -10.128 -5.569 -3.415 1.00 0.00 C ATOM 427 CG TYR A 34 -9.439 -6.064 -4.667 1.00 0.00 C ATOM 428 CD1 TYR A 34 -10.120 -6.136 -5.876 1.00 0.00 C ATOM 429 CD2 TYR A 34 -8.108 -6.461 -4.640 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.496 -6.588 -7.022 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.475 -6.914 -5.782 1.00 0.00 C ATOM 432 CZ TYR A 34 -8.173 -6.975 -6.970 1.00 0.00 C ATOM 433 OH TYR A 34 -7.546 -7.427 -8.109 1.00 0.00 O ATOM 0 H TYR A 34 -8.119 -3.774 -3.570 1.00 0.00 H new ATOM 0 HA TYR A 34 -11.068 -3.681 -3.828 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.610 -5.968 -2.543 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -11.144 -5.962 -3.390 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.156 -5.833 -5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.559 -6.415 -3.711 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.041 -6.638 -7.953 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.440 -7.219 -5.744 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.617 -7.658 -7.901 1.00 0.00 H new ATOM 443 N ASP A 35 -11.490 -3.650 -1.305 1.00 0.00 N ATOM 444 CA ASP A 35 -11.716 -3.278 0.086 1.00 0.00 C ATOM 445 C ASP A 35 -11.530 -4.479 1.007 1.00 0.00 C ATOM 446 O ASP A 35 -12.293 -5.445 0.947 1.00 0.00 O ATOM 447 CB ASP A 35 -13.122 -2.700 0.259 1.00 0.00 C ATOM 448 CG ASP A 35 -14.164 -3.464 -0.533 1.00 0.00 C ATOM 449 OD1 ASP A 35 -14.272 -4.694 -0.341 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.872 -2.833 -1.345 1.00 0.00 O ATOM 0 H ASP A 35 -12.333 -3.921 -1.812 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.983 -2.518 0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.390 -2.715 1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.124 -1.656 -0.056 1.00 0.00 H new ATOM 455 N TYR A 36 -10.513 -4.414 1.859 1.00 0.00 N ATOM 456 CA TYR A 36 -10.224 -5.498 2.790 1.00 0.00 C ATOM 457 C TYR A 36 -10.435 -5.048 4.232 1.00 0.00 C ATOM 458 O TYR A 36 -10.564 -3.855 4.509 1.00 0.00 O ATOM 459 CB TYR A 36 -8.789 -5.991 2.603 1.00 0.00 C ATOM 460 CG TYR A 36 -8.368 -7.031 3.616 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.667 -8.375 3.426 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.674 -6.671 4.764 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.286 -9.329 4.349 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.288 -7.618 5.693 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.596 -8.946 5.481 1.00 0.00 C ATOM 466 OH TYR A 36 -7.214 -9.892 6.404 1.00 0.00 O ATOM 0 H TYR A 36 -9.874 -3.621 1.924 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.912 -6.317 2.579 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.685 -6.409 1.602 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.111 -5.140 2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.207 -8.679 2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.432 -5.632 4.933 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.527 -10.369 4.186 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.748 -7.320 6.580 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.737 -9.456 7.141 1.00 0.00 H new ATOM 476 N GLU A 37 -10.468 -6.011 5.148 1.00 0.00 N ATOM 477 CA GLU A 37 -10.664 -5.714 6.562 1.00 0.00 C ATOM 478 C GLU A 37 -9.664 -6.482 7.422 1.00 0.00 C ATOM 479 O GLU A 37 -9.592 -7.709 7.363 1.00 0.00 O ATOM 480 CB GLU A 37 -12.092 -6.063 6.986 1.00 0.00 C ATOM 481 CG GLU A 37 -12.498 -5.450 8.316 1.00 0.00 C ATOM 482 CD GLU A 37 -13.983 -5.587 8.592 1.00 0.00 C ATOM 483 OE1 GLU A 37 -14.392 -6.638 9.129 1.00 0.00 O ATOM 484 OE2 GLU A 37 -14.735 -4.643 8.272 1.00 0.00 O ATOM 0 H GLU A 37 -10.362 -7.003 4.936 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.500 -4.647 6.709 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.784 -5.727 6.214 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.189 -7.147 7.050 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.937 -5.929 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -12.227 -4.394 8.323 1.00 0.00 H new ATOM 491 N ALA A 38 -8.894 -5.749 8.220 1.00 0.00 N ATOM 492 CA ALA A 38 -7.899 -6.360 9.093 1.00 0.00 C ATOM 493 C ALA A 38 -8.518 -7.466 9.941 1.00 0.00 C ATOM 494 O ALA A 38 -9.368 -7.206 10.792 1.00 0.00 O ATOM 495 CB ALA A 38 -7.260 -5.305 9.983 1.00 0.00 C ATOM 0 H ALA A 38 -8.940 -4.732 8.280 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.127 -6.807 8.467 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.519 -5.775 10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.775 -4.551 9.363 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.028 -4.832 10.595 1.00 0.00 H new ATOM 501 N ARG A 39 -8.087 -8.700 9.702 1.00 0.00 N ATOM 502 CA ARG A 39 -8.601 -9.846 10.443 1.00 0.00 C ATOM 503 C ARG A 39 -8.287 -9.716 11.930 1.00 0.00 C ATOM 504 O ARG A 39 -9.139 -9.975 12.781 1.00 0.00 O ATOM 505 CB ARG A 39 -8.003 -11.143 9.896 1.00 0.00 C ATOM 506 CG ARG A 39 -8.707 -11.661 8.652 1.00 0.00 C ATOM 507 CD ARG A 39 -7.834 -12.642 7.885 1.00 0.00 C ATOM 508 NE ARG A 39 -8.628 -13.635 7.167 1.00 0.00 N ATOM 509 CZ ARG A 39 -9.229 -14.662 7.757 1.00 0.00 C ATOM 510 NH1 ARG A 39 -9.128 -14.829 9.068 1.00 0.00 N ATOM 511 NH2 ARG A 39 -9.934 -15.524 7.035 1.00 0.00 N ATOM 0 H ARG A 39 -7.383 -8.932 9.001 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.684 -9.872 10.319 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.950 -10.979 9.666 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.044 -11.908 10.672 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.640 -12.148 8.937 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -8.969 -10.823 8.006 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.210 -12.096 7.177 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.162 -13.148 8.578 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.727 -13.534 6.157 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.588 -14.168 9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.591 -15.619 9.519 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -10.015 -15.398 6.026 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.395 -16.312 7.489 1.00 0.00 H new ATOM 525 N THR A 40 -7.058 -9.314 12.238 1.00 0.00 N ATOM 526 CA THR A 40 -6.630 -9.152 13.622 1.00 0.00 C ATOM 527 C THR A 40 -5.820 -7.874 13.801 1.00 0.00 C ATOM 528 O THR A 40 -5.622 -7.113 12.853 1.00 0.00 O ATOM 529 CB THR A 40 -5.787 -10.352 14.094 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.487 -10.303 13.494 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.467 -11.665 13.737 1.00 0.00 C ATOM 0 H THR A 40 -6.341 -9.094 11.547 1.00 0.00 H new ATOM 0 HA THR A 40 -7.534 -9.093 14.227 1.00 0.00 H new ATOM 0 HB THR A 40 -5.689 -10.295 15.178 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.985 -11.109 13.736 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.853 -12.498 14.080 1.00 0.00 H new ATOM 0 HG22 THR A 40 -7.444 -11.712 14.219 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.592 -11.728 12.656 1.00 0.00 H new ATOM 539 N THR A 41 -5.350 -7.642 15.023 1.00 0.00 N ATOM 540 CA THR A 41 -4.561 -6.455 15.326 1.00 0.00 C ATOM 541 C THR A 41 -3.259 -6.443 14.533 1.00 0.00 C ATOM 542 O THR A 41 -2.637 -5.395 14.361 1.00 0.00 O ATOM 543 CB THR A 41 -4.234 -6.367 16.829 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.464 -5.189 17.094 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.464 -7.596 17.288 1.00 0.00 C ATOM 0 H THR A 41 -5.503 -8.261 15.819 1.00 0.00 H new ATOM 0 HA THR A 41 -5.164 -5.593 15.041 1.00 0.00 H new ATOM 0 HB THR A 41 -5.173 -6.319 17.381 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.261 -5.139 18.052 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.244 -7.511 18.352 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.064 -8.488 17.111 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.531 -7.670 16.730 1.00 0.00 H new ATOM 553 N GLU A 42 -2.854 -7.614 14.051 1.00 0.00 N ATOM 554 CA GLU A 42 -1.625 -7.736 13.275 1.00 0.00 C ATOM 555 C GLU A 42 -1.855 -7.323 11.824 1.00 0.00 C ATOM 556 O GLU A 42 -0.944 -6.833 11.156 1.00 0.00 O ATOM 557 CB GLU A 42 -1.101 -9.172 13.332 1.00 0.00 C ATOM 558 CG GLU A 42 -1.643 -10.062 12.226 1.00 0.00 C ATOM 559 CD GLU A 42 -1.358 -11.532 12.467 1.00 0.00 C ATOM 560 OE1 GLU A 42 -1.979 -12.114 13.381 1.00 0.00 O ATOM 561 OE2 GLU A 42 -0.514 -12.099 11.743 1.00 0.00 O ATOM 0 H GLU A 42 -3.358 -8.491 14.184 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.882 -7.068 13.711 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.013 -9.155 13.273 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.361 -9.607 14.297 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.719 -9.914 12.140 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.203 -9.762 11.275 1.00 0.00 H new ATOM 568 N ASP A 43 -3.077 -7.525 11.344 1.00 0.00 N ATOM 569 CA ASP A 43 -3.427 -7.175 9.973 1.00 0.00 C ATOM 570 C ASP A 43 -3.809 -5.701 9.869 1.00 0.00 C ATOM 571 O ASP A 43 -4.332 -5.116 10.819 1.00 0.00 O ATOM 572 CB ASP A 43 -4.581 -8.049 9.479 1.00 0.00 C ATOM 573 CG ASP A 43 -4.184 -9.505 9.338 1.00 0.00 C ATOM 574 OD1 ASP A 43 -3.148 -9.897 9.916 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.909 -10.254 8.650 1.00 0.00 O ATOM 0 H ASP A 43 -3.842 -7.929 11.884 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.553 -7.351 9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.417 -7.969 10.174 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.930 -7.675 8.516 1.00 0.00 H new ATOM 580 N LEU A 44 -3.544 -5.106 8.712 1.00 0.00 N ATOM 581 CA LEU A 44 -3.859 -3.700 8.484 1.00 0.00 C ATOM 582 C LEU A 44 -5.187 -3.552 7.749 1.00 0.00 C ATOM 583 O LEU A 44 -5.412 -4.187 6.718 1.00 0.00 O ATOM 584 CB LEU A 44 -2.741 -3.030 7.683 1.00 0.00 C ATOM 585 CG LEU A 44 -2.526 -1.540 7.949 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.743 -0.903 6.811 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.860 -0.834 8.141 1.00 0.00 C ATOM 0 H LEU A 44 -3.111 -5.575 7.916 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.946 -3.210 9.454 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.808 -3.554 7.891 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.952 -3.163 6.622 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.947 -1.434 8.866 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.599 0.158 7.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.772 -1.390 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.296 -1.020 5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.687 0.226 8.329 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.465 -0.949 7.242 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.385 -1.272 8.990 1.00 0.00 H new ATOM 599 N SER A 45 -6.063 -2.707 8.284 1.00 0.00 N ATOM 600 CA SER A 45 -7.369 -2.476 7.679 1.00 0.00 C ATOM 601 C SER A 45 -7.295 -1.370 6.631 1.00 0.00 C ATOM 602 O SER A 45 -7.039 -0.210 6.954 1.00 0.00 O ATOM 603 CB SER A 45 -8.394 -2.108 8.754 1.00 0.00 C ATOM 604 OG SER A 45 -8.926 -3.268 9.370 1.00 0.00 O ATOM 0 H SER A 45 -5.892 -2.171 9.135 1.00 0.00 H new ATOM 0 HA SER A 45 -7.682 -3.397 7.188 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.924 -1.475 9.507 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.201 -1.527 8.308 1.00 0.00 H new ATOM 0 HG SER A 45 -9.879 -3.344 9.156 1.00 0.00 H new ATOM 610 N PHE A 46 -7.521 -1.738 5.375 1.00 0.00 N ATOM 611 CA PHE A 46 -7.479 -0.778 4.278 1.00 0.00 C ATOM 612 C PHE A 46 -8.743 -0.868 3.427 1.00 0.00 C ATOM 613 O PHE A 46 -9.364 -1.927 3.328 1.00 0.00 O ATOM 614 CB PHE A 46 -6.246 -1.022 3.405 1.00 0.00 C ATOM 615 CG PHE A 46 -6.100 -2.448 2.959 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.535 -3.396 3.797 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.528 -2.841 1.701 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.399 -4.709 3.387 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.394 -4.153 1.286 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.830 -5.088 2.131 1.00 0.00 C ATOM 0 H PHE A 46 -7.735 -2.694 5.091 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.421 0.222 4.707 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.300 -0.379 2.527 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.354 -0.730 3.960 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.197 -3.106 4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.971 -2.114 1.037 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.956 -5.438 4.049 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.730 -4.446 0.302 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.726 -6.114 1.810 1.00 0.00 H new ATOM 630 N LYS A 47 -9.118 0.250 2.815 1.00 0.00 N ATOM 631 CA LYS A 47 -10.307 0.299 1.972 1.00 0.00 C ATOM 632 C LYS A 47 -9.928 0.495 0.508 1.00 0.00 C ATOM 633 O LYS A 47 -8.820 0.932 0.196 1.00 0.00 O ATOM 634 CB LYS A 47 -11.232 1.431 2.426 1.00 0.00 C ATOM 635 CG LYS A 47 -11.819 1.219 3.811 1.00 0.00 C ATOM 636 CD LYS A 47 -13.056 0.338 3.763 1.00 0.00 C ATOM 637 CE LYS A 47 -13.417 -0.192 5.142 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.225 0.788 5.918 1.00 0.00 N ATOM 0 H LYS A 47 -8.616 1.135 2.887 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.831 -0.652 2.069 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.677 2.369 2.416 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.045 1.534 1.708 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.071 0.762 4.458 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.075 2.183 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.894 0.907 3.360 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.883 -0.498 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.975 -1.122 5.039 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.505 -0.427 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.451 0.390 6.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -13.683 1.667 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.107 0.993 5.407 1.00 0.00 H new ATOM 652 N LYS A 48 -10.854 0.169 -0.387 1.00 0.00 N ATOM 653 CA LYS A 48 -10.619 0.311 -1.819 1.00 0.00 C ATOM 654 C LYS A 48 -10.372 1.770 -2.188 1.00 0.00 C ATOM 655 O LYS A 48 -11.270 2.606 -2.092 1.00 0.00 O ATOM 656 CB LYS A 48 -11.813 -0.231 -2.609 1.00 0.00 C ATOM 657 CG LYS A 48 -11.786 0.140 -4.082 1.00 0.00 C ATOM 658 CD LYS A 48 -12.751 -0.712 -4.889 1.00 0.00 C ATOM 659 CE LYS A 48 -12.915 -0.179 -6.304 1.00 0.00 C ATOM 660 NZ LYS A 48 -14.022 0.812 -6.398 1.00 0.00 N ATOM 0 H LYS A 48 -11.775 -0.196 -0.146 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.730 -0.265 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.836 -1.317 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.734 0.147 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.044 1.193 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.776 0.015 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.388 -1.739 -4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.721 -0.734 -4.393 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.983 0.285 -6.627 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.111 -1.008 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.102 1.152 -7.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.916 0.362 -6.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.823 1.615 -5.768 1.00 0.00 H new ATOM 674 N GLY A 49 -9.147 2.070 -2.611 1.00 0.00 N ATOM 675 CA GLY A 49 -8.805 3.429 -2.989 1.00 0.00 C ATOM 676 C GLY A 49 -8.024 4.151 -1.910 1.00 0.00 C ATOM 677 O GLY A 49 -7.978 5.381 -1.887 1.00 0.00 O ATOM 0 H GLY A 49 -8.386 1.396 -2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.218 3.411 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.718 3.984 -3.205 1.00 0.00 H new ATOM 681 N GLU A 50 -7.411 3.386 -1.012 1.00 0.00 N ATOM 682 CA GLU A 50 -6.630 3.963 0.076 1.00 0.00 C ATOM 683 C GLU A 50 -5.143 3.673 -0.107 1.00 0.00 C ATOM 684 O GLU A 50 -4.758 2.566 -0.483 1.00 0.00 O ATOM 685 CB GLU A 50 -7.106 3.412 1.422 1.00 0.00 C ATOM 686 CG GLU A 50 -6.886 4.367 2.583 1.00 0.00 C ATOM 687 CD GLU A 50 -8.067 5.291 2.810 1.00 0.00 C ATOM 688 OE1 GLU A 50 -9.170 4.978 2.314 1.00 0.00 O ATOM 689 OE2 GLU A 50 -7.888 6.327 3.485 1.00 0.00 O ATOM 0 H GLU A 50 -7.440 2.366 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.776 5.043 0.061 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.168 3.176 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.584 2.477 1.627 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.699 3.793 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.994 4.964 2.394 1.00 0.00 H new ATOM 696 N ARG A 51 -4.313 4.676 0.160 1.00 0.00 N ATOM 697 CA ARG A 51 -2.869 4.530 0.023 1.00 0.00 C ATOM 698 C ARG A 51 -2.243 4.064 1.334 1.00 0.00 C ATOM 699 O ARG A 51 -2.864 4.145 2.394 1.00 0.00 O ATOM 700 CB ARG A 51 -2.240 5.855 -0.412 1.00 0.00 C ATOM 701 CG ARG A 51 -2.724 6.342 -1.768 1.00 0.00 C ATOM 702 CD ARG A 51 -1.667 7.183 -2.467 1.00 0.00 C ATOM 703 NE ARG A 51 -2.235 7.997 -3.538 1.00 0.00 N ATOM 704 CZ ARG A 51 -1.503 8.625 -4.451 1.00 0.00 C ATOM 705 NH1 ARG A 51 -0.181 8.533 -4.424 1.00 0.00 N ATOM 706 NH2 ARG A 51 -2.094 9.347 -5.395 1.00 0.00 N ATOM 0 H ARG A 51 -4.616 5.599 0.472 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.676 3.776 -0.740 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.460 6.615 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.156 5.741 -0.442 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -2.982 5.487 -2.392 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.633 6.930 -1.642 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.180 7.831 -1.739 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.897 6.530 -2.878 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.250 8.088 -3.588 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.277 7.979 -3.701 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.378 9.017 -5.127 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.111 9.420 -5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.531 9.829 -6.096 1.00 0.00 H new ATOM 720 N PHE A 52 -1.010 3.575 1.254 1.00 0.00 N ATOM 721 CA PHE A 52 -0.300 3.094 2.434 1.00 0.00 C ATOM 722 C PHE A 52 1.205 3.058 2.185 1.00 0.00 C ATOM 723 O PHE A 52 1.659 2.630 1.124 1.00 0.00 O ATOM 724 CB PHE A 52 -0.798 1.700 2.822 1.00 0.00 C ATOM 725 CG PHE A 52 -2.290 1.618 2.976 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.097 1.335 1.886 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.885 1.823 4.210 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.470 1.258 2.023 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.257 1.747 4.354 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.051 1.466 3.259 1.00 0.00 C ATOM 0 H PHE A 52 -0.482 3.501 0.385 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.499 3.784 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.479 0.985 2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.327 1.402 3.759 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.648 1.173 0.917 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.269 2.045 5.069 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.088 1.036 1.165 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.708 1.907 5.322 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.124 1.409 3.369 1.00 0.00 H new ATOM 740 N GLN A 53 1.972 3.510 3.172 1.00 0.00 N ATOM 741 CA GLN A 53 3.426 3.531 3.060 1.00 0.00 C ATOM 742 C GLN A 53 4.017 2.165 3.392 1.00 0.00 C ATOM 743 O GLN A 53 3.970 1.720 4.540 1.00 0.00 O ATOM 744 CB GLN A 53 4.015 4.594 3.989 1.00 0.00 C ATOM 745 CG GLN A 53 3.982 5.998 3.405 1.00 0.00 C ATOM 746 CD GLN A 53 4.152 7.073 4.460 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.595 6.978 5.554 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.925 8.103 4.137 1.00 0.00 N ATOM 0 H GLN A 53 1.611 3.866 4.057 1.00 0.00 H new ATOM 0 HA GLN A 53 3.682 3.777 2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.465 4.588 4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.047 4.330 4.221 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.772 6.096 2.661 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.035 6.150 2.887 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.367 8.141 3.219 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.077 8.857 4.807 1.00 0.00 H new ATOM 757 N ILE A 54 4.572 1.504 2.382 1.00 0.00 N ATOM 758 CA ILE A 54 5.173 0.189 2.568 1.00 0.00 C ATOM 759 C ILE A 54 6.423 0.274 3.437 1.00 0.00 C ATOM 760 O ILE A 54 7.469 0.746 2.992 1.00 0.00 O ATOM 761 CB ILE A 54 5.541 -0.457 1.219 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.316 -0.514 0.305 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.111 -1.851 1.438 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.173 -1.326 0.875 1.00 0.00 C ATOM 0 H ILE A 54 4.618 1.857 1.426 1.00 0.00 H new ATOM 0 HA ILE A 54 4.428 -0.431 3.067 1.00 0.00 H new ATOM 0 HB ILE A 54 6.303 0.154 0.736 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.969 0.501 0.112 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.609 -0.938 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.366 -2.295 0.476 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.006 -1.785 2.056 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.369 -2.473 1.939 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.339 -1.323 0.173 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.503 -2.351 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.853 -0.890 1.821 1.00 0.00 H new ATOM 776 N ILE A 55 6.307 -0.189 4.677 1.00 0.00 N ATOM 777 CA ILE A 55 7.429 -0.168 5.607 1.00 0.00 C ATOM 778 C ILE A 55 8.348 -1.365 5.386 1.00 0.00 C ATOM 779 O ILE A 55 9.569 -1.221 5.332 1.00 0.00 O ATOM 780 CB ILE A 55 6.948 -0.168 7.070 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.951 0.970 7.301 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.132 -0.043 8.017 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.953 0.685 8.402 1.00 0.00 C ATOM 0 H ILE A 55 5.448 -0.583 5.061 1.00 0.00 H new ATOM 0 HA ILE A 55 7.981 0.752 5.415 1.00 0.00 H new ATOM 0 HB ILE A 55 6.445 -1.114 7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.500 1.879 7.546 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.412 1.163 6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.776 -0.044 9.047 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.809 -0.884 7.866 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.661 0.889 7.817 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.278 1.534 8.510 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.378 -0.206 8.150 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.483 0.521 9.340 1.00 0.00 H new ATOM 795 N ASN A 56 7.752 -2.546 5.259 1.00 0.00 N ATOM 796 CA ASN A 56 8.518 -3.769 5.042 1.00 0.00 C ATOM 797 C ASN A 56 7.817 -4.678 4.038 1.00 0.00 C ATOM 798 O ASN A 56 6.644 -5.012 4.200 1.00 0.00 O ATOM 799 CB ASN A 56 8.718 -4.510 6.366 1.00 0.00 C ATOM 800 CG ASN A 56 10.012 -5.301 6.395 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.638 -5.526 5.359 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.418 -5.727 7.585 1.00 0.00 N ATOM 0 H ASN A 56 6.742 -2.683 5.302 1.00 0.00 H new ATOM 0 HA ASN A 56 9.491 -3.493 4.637 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.716 -3.791 7.186 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.879 -5.185 6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.281 -6.264 7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.867 -5.517 8.417 1.00 0.00 H new ATOM 809 N ASN A 57 8.545 -5.077 3.000 1.00 0.00 N ATOM 810 CA ASN A 57 7.994 -5.948 1.968 1.00 0.00 C ATOM 811 C ASN A 57 8.889 -7.164 1.748 1.00 0.00 C ATOM 812 O ASN A 57 9.199 -7.524 0.612 1.00 0.00 O ATOM 813 CB ASN A 57 7.828 -5.178 0.656 1.00 0.00 C ATOM 814 CG ASN A 57 9.121 -4.531 0.199 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.177 -5.164 0.194 1.00 0.00 O ATOM 816 ND2 ASN A 57 9.043 -3.263 -0.189 1.00 0.00 N ATOM 0 H ASN A 57 9.518 -4.811 2.851 1.00 0.00 H new ATOM 0 HA ASN A 57 7.017 -6.294 2.304 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.471 -5.857 -0.118 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.065 -4.410 0.783 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.880 -2.775 -0.508 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.146 -2.778 -0.168 1.00 0.00 H new ATOM 823 N THR A 58 9.302 -7.794 2.844 1.00 0.00 N ATOM 824 CA THR A 58 10.161 -8.969 2.771 1.00 0.00 C ATOM 825 C THR A 58 9.382 -10.192 2.299 1.00 0.00 C ATOM 826 O THR A 58 9.844 -10.937 1.436 1.00 0.00 O ATOM 827 CB THR A 58 10.804 -9.280 4.136 1.00 0.00 C ATOM 828 OG1 THR A 58 11.621 -10.451 4.037 1.00 0.00 O ATOM 829 CG2 THR A 58 9.738 -9.487 5.202 1.00 0.00 C ATOM 0 H THR A 58 9.055 -7.510 3.792 1.00 0.00 H new ATOM 0 HA THR A 58 10.946 -8.742 2.050 1.00 0.00 H new ATOM 0 HB THR A 58 11.422 -8.430 4.424 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.027 -10.641 4.908 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.216 -9.705 6.157 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.137 -8.583 5.296 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.097 -10.321 4.918 1.00 0.00 H new ATOM 837 N GLU A 59 8.199 -10.391 2.871 1.00 0.00 N ATOM 838 CA GLU A 59 7.356 -11.524 2.507 1.00 0.00 C ATOM 839 C GLU A 59 6.179 -11.073 1.646 1.00 0.00 C ATOM 840 O GLU A 59 5.369 -10.248 2.067 1.00 0.00 O ATOM 841 CB GLU A 59 6.843 -12.230 3.763 1.00 0.00 C ATOM 842 CG GLU A 59 6.172 -11.296 4.756 1.00 0.00 C ATOM 843 CD GLU A 59 5.672 -12.019 5.991 1.00 0.00 C ATOM 844 OE1 GLU A 59 6.419 -12.864 6.527 1.00 0.00 O ATOM 845 OE2 GLU A 59 4.534 -11.739 6.423 1.00 0.00 O ATOM 0 H GLU A 59 7.803 -9.783 3.588 1.00 0.00 H new ATOM 0 HA GLU A 59 7.960 -12.222 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.134 -13.005 3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.677 -12.730 4.255 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.878 -10.521 5.054 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.335 -10.795 4.269 1.00 0.00 H new ATOM 852 N GLY A 60 6.093 -11.621 0.438 1.00 0.00 N ATOM 853 CA GLY A 60 5.013 -11.264 -0.463 1.00 0.00 C ATOM 854 C GLY A 60 3.646 -11.471 0.159 1.00 0.00 C ATOM 855 O GLY A 60 2.751 -10.641 -0.003 1.00 0.00 O ATOM 0 H GLY A 60 6.752 -12.306 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.120 -10.220 -0.758 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.090 -11.861 -1.372 1.00 0.00 H new ATOM 859 N ASP A 61 3.484 -12.581 0.871 1.00 0.00 N ATOM 860 CA ASP A 61 2.216 -12.895 1.519 1.00 0.00 C ATOM 861 C ASP A 61 1.568 -11.635 2.085 1.00 0.00 C ATOM 862 O ASP A 61 0.448 -11.281 1.714 1.00 0.00 O ATOM 863 CB ASP A 61 2.428 -13.919 2.634 1.00 0.00 C ATOM 864 CG ASP A 61 3.215 -15.128 2.168 1.00 0.00 C ATOM 865 OD1 ASP A 61 2.670 -15.918 1.368 1.00 0.00 O ATOM 866 OD2 ASP A 61 4.375 -15.284 2.602 1.00 0.00 O ATOM 0 H ASP A 61 4.215 -13.278 1.014 1.00 0.00 H new ATOM 0 HA ASP A 61 1.549 -13.320 0.769 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.953 -13.445 3.463 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.459 -14.244 3.014 1.00 0.00 H new ATOM 871 N TRP A 62 2.278 -10.964 2.984 1.00 0.00 N ATOM 872 CA TRP A 62 1.772 -9.743 3.602 1.00 0.00 C ATOM 873 C TRP A 62 2.896 -8.738 3.823 1.00 0.00 C ATOM 874 O TRP A 62 3.966 -9.089 4.320 1.00 0.00 O ATOM 875 CB TRP A 62 1.091 -10.066 4.932 1.00 0.00 C ATOM 876 CG TRP A 62 -0.007 -11.079 4.808 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.136 -12.418 4.575 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.414 -10.835 4.907 1.00 0.00 C ATOM 879 NE1 TRP A 62 -1.098 -13.020 4.523 1.00 0.00 N ATOM 880 CE2 TRP A 62 -2.065 -12.071 4.725 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.187 -9.694 5.135 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.452 -12.194 4.763 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.563 -9.817 5.171 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.184 -11.060 4.987 1.00 0.00 C ATOM 0 H TRP A 62 3.206 -11.244 3.302 1.00 0.00 H new ATOM 0 HA TRP A 62 1.042 -9.299 2.926 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.838 -10.435 5.634 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.682 -9.148 5.355 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.080 -12.928 4.450 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.267 -14.013 4.360 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.717 -8.732 5.281 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.933 -13.151 4.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.170 -8.941 5.344 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.262 -11.124 5.023 1.00 0.00 H new ATOM 895 N TRP A 63 2.647 -7.488 3.451 1.00 0.00 N ATOM 896 CA TRP A 63 3.641 -6.431 3.610 1.00 0.00 C ATOM 897 C TRP A 63 3.207 -5.432 4.677 1.00 0.00 C ATOM 898 O TRP A 63 2.042 -5.041 4.736 1.00 0.00 O ATOM 899 CB TRP A 63 3.865 -5.710 2.279 1.00 0.00 C ATOM 900 CG TRP A 63 4.504 -6.575 1.235 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.302 -7.662 1.448 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.399 -6.424 -0.185 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.700 -8.196 0.246 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.159 -7.455 -0.771 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.735 -5.519 -1.018 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.273 -7.603 -2.150 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.850 -5.667 -2.387 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.613 -6.703 -2.942 1.00 0.00 C ATOM 0 H TRP A 63 1.767 -7.181 3.038 1.00 0.00 H new ATOM 0 HA TRP A 63 4.577 -6.890 3.929 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.907 -5.348 1.904 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.492 -4.835 2.449 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.580 -8.046 2.419 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.301 -9.012 0.130 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.143 -4.719 -0.599 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.862 -8.400 -2.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.343 -4.972 -3.040 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.682 -6.793 -4.016 1.00 0.00 H new ATOM 919 N GLU A 64 4.152 -5.023 5.517 1.00 0.00 N ATOM 920 CA GLU A 64 3.865 -4.069 6.582 1.00 0.00 C ATOM 921 C GLU A 64 3.861 -2.640 6.047 1.00 0.00 C ATOM 922 O GLU A 64 4.851 -2.176 5.482 1.00 0.00 O ATOM 923 CB GLU A 64 4.894 -4.202 7.707 1.00 0.00 C ATOM 924 CG GLU A 64 4.560 -3.377 8.939 1.00 0.00 C ATOM 925 CD GLU A 64 5.204 -3.923 10.198 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.256 -4.586 10.088 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.655 -3.686 11.295 1.00 0.00 O ATOM 0 H GLU A 64 5.122 -5.337 5.481 1.00 0.00 H new ATOM 0 HA GLU A 64 2.874 -4.292 6.977 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.973 -5.251 7.993 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.871 -3.899 7.331 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.888 -2.349 8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.478 -3.349 9.071 1.00 0.00 H new ATOM 934 N ALA A 65 2.741 -1.949 6.230 1.00 0.00 N ATOM 935 CA ALA A 65 2.608 -0.573 5.767 1.00 0.00 C ATOM 936 C ALA A 65 1.859 0.279 6.786 1.00 0.00 C ATOM 937 O ALA A 65 1.170 -0.246 7.661 1.00 0.00 O ATOM 938 CB ALA A 65 1.900 -0.535 4.421 1.00 0.00 C ATOM 0 H ALA A 65 1.912 -2.319 6.696 1.00 0.00 H new ATOM 0 HA ALA A 65 3.609 -0.157 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.808 0.499 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.477 -1.102 3.690 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.907 -0.975 4.519 1.00 0.00 H new ATOM 944 N ARG A 66 1.998 1.595 6.666 1.00 0.00 N ATOM 945 CA ARG A 66 1.336 2.519 7.578 1.00 0.00 C ATOM 946 C ARG A 66 0.471 3.515 6.810 1.00 0.00 C ATOM 947 O ARG A 66 0.985 4.408 6.137 1.00 0.00 O ATOM 948 CB ARG A 66 2.370 3.269 8.420 1.00 0.00 C ATOM 949 CG ARG A 66 1.759 4.257 9.399 1.00 0.00 C ATOM 950 CD ARG A 66 2.829 5.059 10.123 1.00 0.00 C ATOM 951 NE ARG A 66 3.463 4.288 11.189 1.00 0.00 N ATOM 952 CZ ARG A 66 4.167 4.836 12.174 1.00 0.00 C ATOM 953 NH1 ARG A 66 4.324 6.151 12.228 1.00 0.00 N ATOM 954 NH2 ARG A 66 4.713 4.067 13.107 1.00 0.00 N ATOM 0 H ARG A 66 2.563 2.045 5.946 1.00 0.00 H new ATOM 0 HA ARG A 66 0.693 1.938 8.239 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.969 2.546 8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.049 3.803 7.755 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.093 4.935 8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.150 3.720 10.127 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.587 5.381 9.408 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.384 5.961 10.543 1.00 0.00 H new ATOM 0 HE ARG A 66 3.360 3.273 11.177 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.904 6.745 11.513 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.865 6.569 12.985 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.593 3.055 13.068 1.00 0.00 H new ATOM 0 HH22 ARG A 66 5.253 4.488 13.863 1.00 0.00 H new ATOM 968 N SER A 67 -0.844 3.354 6.916 1.00 0.00 N ATOM 969 CA SER A 67 -1.780 4.235 6.228 1.00 0.00 C ATOM 970 C SER A 67 -1.367 5.695 6.387 1.00 0.00 C ATOM 971 O SER A 67 -1.022 6.138 7.483 1.00 0.00 O ATOM 972 CB SER A 67 -3.196 4.032 6.769 1.00 0.00 C ATOM 973 OG SER A 67 -4.091 4.990 6.230 1.00 0.00 O ATOM 0 H SER A 67 -1.285 2.621 7.472 1.00 0.00 H new ATOM 0 HA SER A 67 -1.765 3.984 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.542 3.028 6.523 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.188 4.109 7.856 1.00 0.00 H new ATOM 0 HG SER A 67 -4.842 5.120 6.847 1.00 0.00 H new ATOM 979 N ILE A 68 -1.407 6.438 5.286 1.00 0.00 N ATOM 980 CA ILE A 68 -1.039 7.848 5.303 1.00 0.00 C ATOM 981 C ILE A 68 -2.244 8.728 5.615 1.00 0.00 C ATOM 982 O ILE A 68 -2.117 9.766 6.263 1.00 0.00 O ATOM 983 CB ILE A 68 -0.432 8.287 3.957 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.534 7.221 3.435 1.00 0.00 C ATOM 985 CG2 ILE A 68 0.277 9.625 4.107 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.945 7.431 1.995 1.00 0.00 C ATOM 0 H ILE A 68 -1.691 6.087 4.371 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.292 7.969 6.087 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.238 8.404 3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.426 7.213 4.061 1.00 0.00 H new ATOM 0 HG13 ILE A 68 0.067 6.241 3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.701 9.922 3.148 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.436 10.380 4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.075 9.533 4.843 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.630 6.639 1.693 1.00 0.00 H new ATOM 0 HD12 ILE A 68 0.061 7.410 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.441 8.397 1.895 1.00 0.00 H new ATOM 998 N ALA A 69 -3.416 8.303 5.152 1.00 0.00 N ATOM 999 CA ALA A 69 -4.645 9.050 5.386 1.00 0.00 C ATOM 1000 C ALA A 69 -5.078 8.953 6.845 1.00 0.00 C ATOM 1001 O ALA A 69 -5.129 9.957 7.557 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.751 8.544 4.471 1.00 0.00 C ATOM 0 H ALA A 69 -3.539 7.446 4.613 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.452 10.099 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.664 9.110 4.656 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.450 8.671 3.431 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.933 7.488 4.670 1.00 0.00 H new ATOM 1008 N THR A 70 -5.389 7.738 7.286 1.00 0.00 N ATOM 1009 CA THR A 70 -5.819 7.511 8.660 1.00 0.00 C ATOM 1010 C THR A 70 -4.632 7.518 9.616 1.00 0.00 C ATOM 1011 O THR A 70 -4.629 8.240 10.612 1.00 0.00 O ATOM 1012 CB THR A 70 -6.568 6.172 8.800 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.727 5.093 8.376 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.847 6.178 7.976 1.00 0.00 C ATOM 0 H THR A 70 -5.351 6.896 6.711 1.00 0.00 H new ATOM 0 HA THR A 70 -6.495 8.326 8.918 1.00 0.00 H new ATOM 0 HB THR A 70 -6.831 6.037 9.849 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.280 4.370 8.013 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.358 5.222 8.091 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.498 6.982 8.320 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.602 6.335 6.925 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.622 6.710 9.305 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.442 6.640 10.147 1.00 0.00 C ATOM 1024 C GLY A 71 -2.300 5.297 10.836 1.00 0.00 C ATOM 1025 O GLY A 71 -1.505 5.147 11.763 1.00 0.00 O ATOM 0 H GLY A 71 -3.600 6.103 8.485 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.556 6.830 9.542 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.489 7.428 10.899 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.075 4.317 10.383 1.00 0.00 N ATOM 1030 CA LYS A 72 -3.033 2.979 10.961 1.00 0.00 C ATOM 1031 C LYS A 72 -1.775 2.236 10.523 1.00 0.00 C ATOM 1032 O LYS A 72 -0.987 2.746 9.727 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.276 2.185 10.551 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.582 2.894 10.866 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.755 1.929 10.863 1.00 0.00 C ATOM 1036 CE LYS A 72 -8.042 2.618 10.435 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.707 3.309 11.575 1.00 0.00 N ATOM 0 H LYS A 72 -3.740 4.425 9.617 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.015 3.080 12.046 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.231 1.983 9.481 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.264 1.220 11.058 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.509 3.377 11.841 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.756 3.681 10.133 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.543 1.099 10.188 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.882 1.505 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.823 3.341 9.650 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.724 1.882 10.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -9.580 3.766 11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.939 2.615 12.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -8.067 4.029 11.966 1.00 0.00 H new ATOM 1051 N SER A 73 -1.595 1.028 11.047 1.00 0.00 N ATOM 1052 CA SER A 73 -0.431 0.215 10.711 1.00 0.00 C ATOM 1053 C SER A 73 -0.735 -1.269 10.889 1.00 0.00 C ATOM 1054 O SER A 73 -1.480 -1.658 11.788 1.00 0.00 O ATOM 1055 CB SER A 73 0.762 0.611 11.583 1.00 0.00 C ATOM 1056 OG SER A 73 0.432 0.546 12.959 1.00 0.00 O ATOM 0 H SER A 73 -2.239 0.590 11.705 1.00 0.00 H new ATOM 0 HA SER A 73 -0.183 0.394 9.665 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.603 -0.051 11.376 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.082 1.622 11.330 1.00 0.00 H new ATOM 0 HG SER A 73 1.212 0.802 13.495 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.152 -2.094 10.025 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.372 -3.527 10.103 1.00 0.00 C ATOM 1064 C GLY A 74 0.229 -4.271 8.927 1.00 0.00 C ATOM 1065 O GLY A 74 1.281 -3.888 8.414 1.00 0.00 O ATOM 0 H GLY A 74 0.469 -1.796 9.272 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.060 -3.908 11.029 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.443 -3.725 10.145 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.438 -5.337 8.500 1.00 0.00 N ATOM 1070 CA TYR A 75 0.039 -6.139 7.379 1.00 0.00 C ATOM 1071 C TYR A 75 -1.043 -6.283 6.313 1.00 0.00 C ATOM 1072 O TYR A 75 -2.142 -6.764 6.589 1.00 0.00 O ATOM 1073 CB TYR A 75 0.479 -7.521 7.865 1.00 0.00 C ATOM 1074 CG TYR A 75 1.426 -7.476 9.043 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.623 -6.773 8.970 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.126 -8.136 10.228 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.492 -6.729 10.042 1.00 0.00 C ATOM 1078 CE2 TYR A 75 1.989 -8.096 11.306 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.170 -7.392 11.208 1.00 0.00 C ATOM 1080 OH TYR A 75 4.033 -7.351 12.280 1.00 0.00 O ATOM 0 H TYR A 75 -1.311 -5.666 8.913 1.00 0.00 H new ATOM 0 HA TYR A 75 0.894 -5.627 6.936 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.404 -8.098 8.141 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.961 -8.050 7.042 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.878 -6.252 8.059 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.202 -8.690 10.308 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.418 -6.179 9.968 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.740 -8.614 12.221 1.00 0.00 H new ATOM 0 HH TYR A 75 3.657 -7.868 13.023 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.722 -5.862 5.094 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.664 -5.945 3.985 1.00 0.00 C ATOM 1092 C ILE A 76 -1.171 -6.915 2.916 1.00 0.00 C ATOM 1093 O ILE A 76 0.020 -6.994 2.617 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.900 -4.566 3.342 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.573 -3.963 2.875 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.594 -3.635 4.325 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.732 -2.659 2.125 1.00 0.00 C ATOM 0 H ILE A 76 0.183 -5.460 4.850 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.605 -6.310 4.397 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.546 -4.692 2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.067 -3.798 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.062 -4.682 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.754 -2.664 3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.555 -4.061 4.613 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.971 -3.512 5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.249 -2.290 1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.345 -2.821 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.214 -1.925 2.770 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.109 -7.670 2.325 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.794 -8.647 1.279 1.00 0.00 C ATOM 1111 C PRO A 77 -1.368 -7.982 -0.026 1.00 0.00 C ATOM 1112 O PRO A 77 -2.099 -7.164 -0.584 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.112 -9.401 1.089 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.164 -8.441 1.528 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.548 -7.629 2.633 1.00 0.00 C ATOM 0 HA PRO A 77 -0.957 -9.287 1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.254 -9.695 0.049 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.135 -10.314 1.684 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.478 -7.802 0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -5.051 -8.968 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.928 -6.608 2.641 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.762 -8.056 3.613 1.00 0.00 H new ATOM 1123 N SER A 78 -0.181 -8.339 -0.507 1.00 0.00 N ATOM 1124 CA SER A 78 0.343 -7.773 -1.744 1.00 0.00 C ATOM 1125 C SER A 78 -0.467 -8.250 -2.946 1.00 0.00 C ATOM 1126 O SER A 78 -0.226 -7.831 -4.077 1.00 0.00 O ATOM 1127 CB SER A 78 1.813 -8.157 -1.922 1.00 0.00 C ATOM 1128 OG SER A 78 1.939 -9.459 -2.467 1.00 0.00 O ATOM 0 H SER A 78 0.435 -9.017 -0.059 1.00 0.00 H new ATOM 0 HA SER A 78 0.262 -6.688 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.303 -7.437 -2.577 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.323 -8.112 -0.960 1.00 0.00 H new ATOM 0 HG SER A 78 2.227 -10.080 -1.766 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.430 -9.131 -2.691 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.277 -9.667 -3.750 1.00 0.00 C ATOM 1136 C ASN A 79 -3.512 -8.795 -3.953 1.00 0.00 C ATOM 1137 O ASN A 79 -4.328 -9.052 -4.838 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.699 -11.099 -3.419 1.00 0.00 C ATOM 1139 CG ASN A 79 -2.991 -11.290 -1.943 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -4.143 -11.231 -1.515 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.945 -11.519 -1.158 1.00 0.00 N ATOM 0 H ASN A 79 -1.643 -9.489 -1.760 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.700 -9.670 -4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.586 -11.356 -3.998 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.910 -11.787 -3.722 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.079 -11.654 -0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.007 -11.560 -1.557 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.642 -7.762 -3.127 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.779 -6.853 -3.213 1.00 0.00 C ATOM 1150 C TYR A 80 -4.316 -5.429 -3.508 1.00 0.00 C ATOM 1151 O TYR A 80 -5.010 -4.664 -4.177 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.582 -6.881 -1.912 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.665 -7.936 -1.892 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.415 -9.226 -2.344 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.939 -7.643 -1.419 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.403 -10.192 -2.328 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.932 -8.603 -1.398 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.659 -9.876 -1.854 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.644 -10.836 -1.835 1.00 0.00 O ATOM 0 H TYR A 80 -2.974 -7.534 -2.391 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.417 -7.186 -4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.902 -7.055 -1.078 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -6.036 -5.903 -1.754 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.432 -9.478 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.156 -6.647 -1.062 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.193 -11.189 -2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.916 -8.358 -1.027 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.469 -10.451 -1.471 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.137 -5.081 -3.002 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.579 -3.750 -3.212 1.00 0.00 C ATOM 1171 C VAL A 81 -1.498 -3.771 -4.286 1.00 0.00 C ATOM 1172 O VAL A 81 -0.833 -4.786 -4.495 1.00 0.00 O ATOM 1173 CB VAL A 81 -1.983 -3.181 -1.911 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.048 -3.095 -0.828 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.808 -4.029 -1.447 1.00 0.00 C ATOM 0 H VAL A 81 -2.550 -5.702 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.399 -3.110 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.618 -2.173 -2.110 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.608 -2.691 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.855 -2.442 -1.162 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.445 -4.090 -0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.399 -3.612 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.145 -5.049 -1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.036 -4.034 -2.217 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.326 -2.642 -4.967 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.325 -2.529 -6.021 1.00 0.00 C ATOM 1187 C VAL A 82 0.303 -1.140 -6.035 1.00 0.00 C ATOM 1188 O VAL A 82 -0.307 -0.152 -5.626 1.00 0.00 O ATOM 1189 CB VAL A 82 -0.931 -2.821 -7.406 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -1.953 -3.944 -7.316 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.559 -1.564 -7.988 1.00 0.00 C ATOM 0 H VAL A 82 -1.867 -1.792 -4.807 1.00 0.00 H new ATOM 0 HA VAL A 82 0.445 -3.271 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.131 -3.143 -8.073 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.370 -4.136 -8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.469 -4.847 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.753 -3.654 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.982 -1.789 -8.967 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.348 -1.210 -7.324 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.798 -0.791 -8.091 1.00 0.00 H new ATOM 1201 N PRO A 83 1.551 -1.059 -6.519 1.00 0.00 N ATOM 1202 CA PRO A 83 2.289 0.205 -6.600 1.00 0.00 C ATOM 1203 C PRO A 83 1.715 1.144 -7.655 1.00 0.00 C ATOM 1204 O PRO A 83 1.430 0.731 -8.779 1.00 0.00 O ATOM 1205 CB PRO A 83 3.703 -0.234 -6.988 1.00 0.00 C ATOM 1206 CG PRO A 83 3.518 -1.537 -7.685 1.00 0.00 C ATOM 1207 CD PRO A 83 2.339 -2.196 -7.025 1.00 0.00 C ATOM 0 HA PRO A 83 2.243 0.765 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.180 0.499 -7.639 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.339 -0.342 -6.109 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.336 -1.388 -8.749 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.411 -2.156 -7.598 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.768 -2.798 -7.732 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.649 -2.860 -6.218 1.00 0.00 H new ATOM 1215 N ALA A 84 1.549 2.410 -7.286 1.00 0.00 N ATOM 1216 CA ALA A 84 1.011 3.409 -8.201 1.00 0.00 C ATOM 1217 C ALA A 84 1.938 3.615 -9.395 1.00 0.00 C ATOM 1218 O ALA A 84 1.608 4.343 -10.331 1.00 0.00 O ATOM 1219 CB ALA A 84 0.784 4.725 -7.473 1.00 0.00 C ATOM 0 H ALA A 84 1.780 2.768 -6.359 1.00 0.00 H new ATOM 0 HA ALA A 84 0.054 3.045 -8.575 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.382 5.461 -8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 84 0.077 4.573 -6.658 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.730 5.086 -7.070 1.00 0.00 H new ATOM 1225 N ASP A 85 3.099 2.971 -9.354 1.00 0.00 N ATOM 1226 CA ASP A 85 4.074 3.083 -10.433 1.00 0.00 C ATOM 1227 C ASP A 85 3.938 1.921 -11.411 1.00 0.00 C ATOM 1228 O ASP A 85 4.014 2.107 -12.626 1.00 0.00 O ATOM 1229 CB ASP A 85 5.493 3.124 -9.864 1.00 0.00 C ATOM 1230 CG ASP A 85 5.703 4.290 -8.917 1.00 0.00 C ATOM 1231 OD1 ASP A 85 4.873 5.223 -8.930 1.00 0.00 O ATOM 1232 OD2 ASP A 85 6.698 4.268 -8.162 1.00 0.00 O ATOM 0 H ASP A 85 3.388 2.366 -8.585 1.00 0.00 H new ATOM 0 HA ASP A 85 3.880 4.011 -10.971 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.698 2.191 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.208 3.192 -10.684 1.00 0.00 H new ATOM 1237 N SER A 86 3.740 0.722 -10.874 1.00 0.00 N ATOM 1238 CA SER A 86 3.599 -0.472 -11.700 1.00 0.00 C ATOM 1239 C SER A 86 2.158 -0.973 -11.689 1.00 0.00 C ATOM 1240 O SER A 86 1.899 -2.157 -11.910 1.00 0.00 O ATOM 1241 CB SER A 86 4.538 -1.574 -11.205 1.00 0.00 C ATOM 1242 OG SER A 86 5.789 -1.514 -11.869 1.00 0.00 O ATOM 0 H SER A 86 3.673 0.551 -9.871 1.00 0.00 H new ATOM 0 HA SER A 86 3.866 -0.209 -12.724 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.688 -1.473 -10.130 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.080 -2.549 -11.373 1.00 0.00 H new ATOM 0 HG SER A 86 6.372 -2.227 -11.534 1.00 0.00 H new ATOM 1248 N ILE A 87 1.224 -0.064 -11.429 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.191 -0.413 -11.390 1.00 0.00 C ATOM 1250 C ILE A 87 -0.525 -1.473 -12.434 1.00 0.00 C ATOM 1251 O ILE A 87 -0.630 -1.174 -13.624 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.082 0.821 -11.624 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.417 2.073 -11.048 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.454 0.609 -11.003 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.390 3.197 -10.765 1.00 0.00 C ATOM 0 H ILE A 87 1.422 0.919 -11.242 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.390 -0.811 -10.395 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.209 0.961 -12.697 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.099 1.809 -10.125 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.341 2.426 -11.747 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.072 1.490 -11.177 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.928 -0.262 -11.456 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.347 0.447 -9.930 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.850 4.052 -10.359 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.888 3.488 -11.690 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.134 2.861 -10.042 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.692 -2.711 -11.981 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.016 -3.815 -12.877 1.00 0.00 C ATOM 1269 C GLN A 88 -2.489 -3.782 -13.271 1.00 0.00 C ATOM 1270 O GLN A 88 -2.871 -4.293 -14.323 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.683 -5.152 -12.213 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.422 -5.382 -10.905 1.00 0.00 C ATOM 1273 CD GLN A 88 -0.760 -6.437 -10.039 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -0.346 -6.162 -8.913 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -0.658 -7.653 -10.562 1.00 0.00 N ATOM 0 H GLN A 88 -0.608 -2.975 -10.999 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.415 -3.706 -13.780 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.923 -5.961 -12.903 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.390 -5.199 -12.028 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.475 -4.444 -10.352 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.447 -5.684 -11.119 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.015 -7.836 -11.500 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.223 -8.404 -10.026 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.311 -3.177 -12.420 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.742 -3.076 -12.681 1.00 0.00 C ATOM 1286 C ALA A 89 -5.168 -1.622 -12.846 1.00 0.00 C ATOM 1287 O ALA A 89 -6.315 -1.267 -12.574 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.530 -3.736 -11.559 1.00 0.00 C ATOM 0 H ALA A 89 -3.011 -2.749 -11.544 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.955 -3.597 -13.615 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.597 -3.653 -11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.254 -4.788 -11.491 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.304 -3.240 -10.615 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.238 -0.784 -13.292 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.519 0.633 -13.492 1.00 0.00 C ATOM 1296 C GLU A 90 -5.951 0.841 -13.976 1.00 0.00 C ATOM 1297 O GLU A 90 -6.571 1.864 -13.689 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.536 1.234 -14.499 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.198 0.302 -15.651 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.794 0.516 -16.182 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.240 1.614 -15.969 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -1.251 -0.416 -16.810 1.00 0.00 O ATOM 0 H GLU A 90 -3.284 -1.061 -13.522 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.401 1.139 -12.534 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.958 2.155 -14.900 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.617 1.504 -13.980 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.304 -0.731 -15.320 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.915 0.453 -16.458 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.468 -0.137 -14.713 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.826 -0.061 -15.239 1.00 0.00 C ATOM 1311 C GLU A 91 -8.764 0.591 -14.228 1.00 0.00 C ATOM 1312 O GLU A 91 -9.721 1.271 -14.602 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.336 -1.458 -15.599 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.849 -1.955 -16.949 1.00 0.00 C ATOM 1315 CD GLU A 91 -8.794 -1.595 -18.079 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -8.975 -0.388 -18.340 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -9.353 -2.522 -18.702 1.00 0.00 O ATOM 0 H GLU A 91 -5.967 -0.991 -14.959 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.807 0.553 -16.139 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.021 -2.161 -14.828 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.426 -1.449 -15.596 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -6.866 -1.532 -17.154 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.729 -3.038 -16.912 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.484 0.379 -12.947 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.304 0.946 -11.882 1.00 0.00 C ATOM 1326 C TRP A 92 -9.259 2.469 -11.913 1.00 0.00 C ATOM 1327 O TRP A 92 -10.292 3.132 -11.808 1.00 0.00 O ATOM 1328 CB TRP A 92 -8.829 0.437 -10.520 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.460 0.921 -10.149 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.301 0.199 -10.174 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.109 2.233 -9.696 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.250 0.984 -9.763 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.719 2.236 -9.466 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.832 3.406 -9.465 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.042 3.366 -9.015 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.159 4.526 -9.017 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.776 4.501 -8.796 1.00 0.00 C ATOM 0 H TRP A 92 -7.696 -0.181 -12.621 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.334 0.629 -12.042 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.538 0.753 -9.755 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -8.832 -0.653 -10.526 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.222 -0.836 -10.473 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.278 0.683 -9.691 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -8.898 3.437 -9.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -3.976 3.348 -8.844 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.709 5.437 -8.834 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.279 5.394 -8.446 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.059 3.019 -12.057 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.880 4.465 -12.099 1.00 0.00 C ATOM 1350 C TYR A 93 -8.190 5.012 -13.490 1.00 0.00 C ATOM 1351 O TYR A 93 -8.653 6.144 -13.636 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.451 4.836 -11.700 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.512 4.981 -12.877 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.704 5.979 -13.825 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.433 4.122 -13.039 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.849 6.115 -14.901 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.572 4.251 -14.112 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.785 5.249 -15.041 1.00 0.00 C ATOM 1359 OH TYR A 93 -2.930 5.382 -16.111 1.00 0.00 O ATOM 0 H TYR A 93 -7.195 2.485 -12.147 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.575 4.912 -11.389 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.470 5.773 -11.143 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.061 4.073 -11.027 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.536 6.660 -13.718 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.264 3.340 -12.314 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.013 6.896 -15.629 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.737 3.575 -14.223 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.365 5.045 -16.922 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.932 4.199 -14.509 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.182 4.600 -15.889 1.00 0.00 C ATOM 1371 C PHE A 94 -9.664 4.890 -16.110 1.00 0.00 C ATOM 1372 O PHE A 94 -10.030 5.942 -16.633 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.715 3.507 -16.852 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.296 3.680 -17.312 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.964 4.674 -18.218 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.294 2.847 -16.839 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.658 4.836 -18.643 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -3.987 3.005 -17.260 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.669 3.999 -18.164 1.00 0.00 C ATOM 0 H PHE A 94 -7.550 3.259 -14.405 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.618 5.512 -16.085 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.815 2.537 -16.364 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.372 3.495 -17.722 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.734 5.330 -18.597 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.537 2.066 -16.134 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.412 5.616 -19.348 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.215 2.351 -16.882 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.649 4.122 -18.496 1.00 0.00 H new