USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 32 TYR OH : rot 180:sc= -0.038 USER MOD Single : A 34 TYR OH : rot 142:sc= 0.688 USER MOD Single : A 43 SER OG : rot 32:sc= 0.0022 USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -3.82! C(o=-3.8!,f=-4.3!) USER MOD Single : A 50 MET CE :methyl 180:sc= -0.0743 (180deg=-0.0743) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -120:sc= -0.76 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 140:sc= 0.111 USER MOD Single : A 76 ASN : amide:sc= -14.4! C(o=-14!,f=-19!) USER MOD Single : A 77 TYR OH : rot 17:sc= 0.196 USER MOD Single : A 83 SER OG : rot -43:sc= 0.754 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.487 -8.639 -15.353 1.00 0.00 N ATOM 324 CA ILE A 26 -2.668 -7.454 -15.541 1.00 0.00 C ATOM 325 C ILE A 26 -1.583 -7.412 -14.464 1.00 0.00 C ATOM 326 O ILE A 26 -1.853 -7.052 -13.319 1.00 0.00 O ATOM 327 CB ILE A 26 -3.543 -6.199 -15.583 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.284 -6.091 -16.916 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.718 -4.946 -15.283 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.395 -5.460 -17.989 1.00 0.00 C ATOM 0 HA ILE A 26 -2.159 -7.492 -16.504 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.298 -6.283 -14.801 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.603 -7.082 -17.240 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.185 -5.492 -16.787 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.363 -4.068 -15.319 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.276 -5.031 -14.290 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.926 -4.845 -16.026 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.947 -5.395 -18.927 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.098 -4.460 -17.673 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.506 -6.074 -18.133 1.00 0.00 H new ATOM 342 N ILE A 27 -0.377 -7.786 -14.868 1.00 0.00 N ATOM 343 CA ILE A 27 0.749 -7.795 -13.950 1.00 0.00 C ATOM 344 C ILE A 27 1.404 -6.412 -13.940 1.00 0.00 C ATOM 345 O ILE A 27 1.756 -5.880 -14.991 1.00 0.00 O ATOM 346 CB ILE A 27 1.714 -8.930 -14.299 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.951 -10.200 -14.679 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.706 -9.177 -13.160 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.289 -10.831 -13.453 1.00 0.00 C ATOM 0 H ILE A 27 -0.156 -8.085 -15.818 1.00 0.00 H new ATOM 0 HA ILE A 27 0.411 -7.995 -12.933 1.00 0.00 H new ATOM 0 HB ILE A 27 2.294 -8.629 -15.171 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.192 -9.963 -15.425 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.634 -10.916 -15.136 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.380 -9.989 -13.434 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.284 -8.271 -12.978 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.161 -9.448 -12.255 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.247 -11.732 -13.752 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.053 -11.089 -12.720 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.412 -10.122 -13.012 1.00 0.00 H new ATOM 361 N VAL A 28 1.550 -5.871 -12.739 1.00 0.00 N ATOM 362 CA VAL A 28 2.157 -4.560 -12.578 1.00 0.00 C ATOM 363 C VAL A 28 3.159 -4.606 -11.423 1.00 0.00 C ATOM 364 O VAL A 28 2.809 -4.987 -10.307 1.00 0.00 O ATOM 365 CB VAL A 28 1.070 -3.501 -12.385 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.137 -3.444 -13.597 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.282 -3.752 -11.097 1.00 0.00 C ATOM 0 H VAL A 28 1.259 -6.316 -11.869 1.00 0.00 H new ATOM 0 HA VAL A 28 2.708 -4.281 -13.476 1.00 0.00 H new ATOM 0 HB VAL A 28 1.560 -2.532 -12.294 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.626 -2.683 -13.433 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.713 -3.194 -14.488 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.341 -4.414 -13.734 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.484 -2.985 -10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.191 -4.733 -11.145 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.959 -3.717 -10.244 1.00 0.00 H new ATOM 377 N VAL A 29 4.387 -4.214 -11.731 1.00 0.00 N ATOM 378 CA VAL A 29 5.442 -4.205 -10.733 1.00 0.00 C ATOM 379 C VAL A 29 5.410 -2.876 -9.974 1.00 0.00 C ATOM 380 O VAL A 29 5.280 -1.814 -10.580 1.00 0.00 O ATOM 381 CB VAL A 29 6.793 -4.482 -11.397 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.368 -3.208 -12.020 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.777 -5.098 -10.400 1.00 0.00 C ATOM 0 H VAL A 29 4.674 -3.900 -12.658 1.00 0.00 H new ATOM 0 HA VAL A 29 5.284 -4.999 -10.004 1.00 0.00 H new ATOM 0 HB VAL A 29 6.632 -5.204 -12.198 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.328 -3.432 -12.485 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.679 -2.829 -12.774 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.507 -2.455 -11.245 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.729 -5.285 -10.897 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.931 -4.410 -9.568 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.373 -6.038 -10.024 1.00 0.00 H new ATOM 393 N ALA A 30 5.531 -2.980 -8.659 1.00 0.00 N ATOM 394 CA ALA A 30 5.517 -1.799 -7.811 1.00 0.00 C ATOM 395 C ALA A 30 6.703 -0.902 -8.174 1.00 0.00 C ATOM 396 O ALA A 30 7.843 -1.361 -8.213 1.00 0.00 O ATOM 397 CB ALA A 30 5.537 -2.226 -6.341 1.00 0.00 C ATOM 0 H ALA A 30 5.639 -3.863 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 30 4.606 -1.222 -7.971 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.527 -1.341 -5.705 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.660 -2.837 -6.128 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.439 -2.805 -6.142 1.00 0.00 H new ATOM 403 N LEU A 31 6.391 0.359 -8.431 1.00 0.00 N ATOM 404 CA LEU A 31 7.417 1.325 -8.789 1.00 0.00 C ATOM 405 C LEU A 31 8.048 1.888 -7.514 1.00 0.00 C ATOM 406 O LEU A 31 9.126 2.480 -7.560 1.00 0.00 O ATOM 407 CB LEU A 31 6.842 2.398 -9.716 1.00 0.00 C ATOM 408 CG LEU A 31 6.408 1.922 -11.105 1.00 0.00 C ATOM 409 CD1 LEU A 31 5.996 3.103 -11.984 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.499 1.072 -11.758 1.00 0.00 C ATOM 0 H LEU A 31 5.443 0.735 -8.399 1.00 0.00 H new ATOM 0 HA LEU A 31 8.215 0.842 -9.354 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.982 2.852 -9.224 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.589 3.182 -9.839 1.00 0.00 H new ATOM 0 HG LEU A 31 5.531 1.285 -10.991 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.692 2.738 -12.965 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.163 3.630 -11.519 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.839 3.785 -12.096 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.166 0.747 -12.743 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.409 1.663 -11.860 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.701 0.199 -11.137 1.00 0.00 H new ATOM 422 N TYR A 32 7.350 1.684 -6.406 1.00 0.00 N ATOM 423 CA TYR A 32 7.830 2.165 -5.122 1.00 0.00 C ATOM 424 C TYR A 32 7.152 1.419 -3.970 1.00 0.00 C ATOM 425 O TYR A 32 6.016 0.968 -4.102 1.00 0.00 O ATOM 426 CB TYR A 32 7.443 3.644 -5.053 1.00 0.00 C ATOM 427 CG TYR A 32 7.485 4.360 -6.404 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.671 4.888 -6.870 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.334 4.478 -7.158 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.710 5.563 -8.141 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.373 5.153 -8.429 1.00 0.00 C ATOM 432 CZ TYR A 32 7.558 5.662 -8.858 1.00 0.00 C ATOM 433 OH TYR A 32 7.595 6.299 -10.059 1.00 0.00 O ATOM 0 H TYR A 32 6.457 1.193 -6.371 1.00 0.00 H new ATOM 0 HA TYR A 32 8.905 2.010 -5.032 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.438 3.727 -4.640 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.115 4.153 -4.362 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.571 4.795 -6.281 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.405 4.064 -6.794 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.632 5.981 -8.517 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.480 5.253 -9.028 1.00 0.00 H new ATOM 0 HH TYR A 32 6.701 6.293 -10.460 1.00 0.00 H new ATOM 443 N ASP A 33 7.878 1.313 -2.867 1.00 0.00 N ATOM 444 CA ASP A 33 7.361 0.631 -1.693 1.00 0.00 C ATOM 445 C ASP A 33 6.061 1.304 -1.248 1.00 0.00 C ATOM 446 O ASP A 33 5.972 2.530 -1.219 1.00 0.00 O ATOM 447 CB ASP A 33 8.354 0.704 -0.531 1.00 0.00 C ATOM 448 CG ASP A 33 9.809 0.412 -0.904 1.00 0.00 C ATOM 449 OD1 ASP A 33 10.406 1.276 -1.582 1.00 0.00 O ATOM 450 OD2 ASP A 33 10.291 -0.670 -0.502 1.00 0.00 O ATOM 0 H ASP A 33 8.821 1.688 -2.762 1.00 0.00 H new ATOM 0 HA ASP A 33 7.192 -0.413 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.301 1.699 -0.089 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.043 -0.003 0.238 1.00 0.00 H new ATOM 455 N TYR A 34 5.087 0.471 -0.913 1.00 0.00 N ATOM 456 CA TYR A 34 3.795 0.970 -0.470 1.00 0.00 C ATOM 457 C TYR A 34 3.288 0.182 0.738 1.00 0.00 C ATOM 458 O TYR A 34 3.497 -1.027 0.828 1.00 0.00 O ATOM 459 CB TYR A 34 2.836 0.757 -1.644 1.00 0.00 C ATOM 460 CG TYR A 34 1.445 1.356 -1.427 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.275 2.726 -1.438 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.361 0.527 -1.220 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.034 3.289 -1.235 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.947 1.092 -1.016 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.081 2.445 -1.033 1.00 0.00 C ATOM 466 OH TYR A 34 -2.317 2.978 -0.841 1.00 0.00 O ATOM 0 H TYR A 34 5.166 -0.546 -0.939 1.00 0.00 H new ATOM 0 HA TYR A 34 3.868 2.017 -0.175 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.273 1.195 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.735 -0.313 -1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.123 3.375 -1.599 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.494 -0.545 -1.211 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.182 4.359 -1.243 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.804 0.455 -0.853 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.986 2.424 -1.295 1.00 0.00 H new ATOM 476 N GLU A 35 2.630 0.899 1.639 1.00 0.00 N ATOM 477 CA GLU A 35 2.090 0.282 2.838 1.00 0.00 C ATOM 478 C GLU A 35 0.647 0.735 3.065 1.00 0.00 C ATOM 479 O GLU A 35 0.319 1.263 4.127 1.00 0.00 O ATOM 480 CB GLU A 35 2.963 0.595 4.055 1.00 0.00 C ATOM 481 CG GLU A 35 3.704 -0.654 4.535 1.00 0.00 C ATOM 482 CD GLU A 35 3.899 -0.627 6.052 1.00 0.00 C ATOM 483 OE1 GLU A 35 2.885 -0.411 6.751 1.00 0.00 O ATOM 484 OE2 GLU A 35 5.057 -0.825 6.479 1.00 0.00 O ATOM 0 H GLU A 35 2.459 1.902 1.562 1.00 0.00 H new ATOM 0 HA GLU A 35 2.091 -0.799 2.700 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.682 1.373 3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.342 0.986 4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.143 -1.545 4.253 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.674 -0.718 4.041 1.00 0.00 H new ATOM 491 N ALA A 36 -0.176 0.513 2.051 1.00 0.00 N ATOM 492 CA ALA A 36 -1.577 0.893 2.128 1.00 0.00 C ATOM 493 C ALA A 36 -1.700 2.222 2.876 1.00 0.00 C ATOM 494 O ALA A 36 -1.856 2.239 4.096 1.00 0.00 O ATOM 495 CB ALA A 36 -2.374 -0.229 2.797 1.00 0.00 C ATOM 0 H ALA A 36 0.100 0.075 1.172 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.991 1.037 1.130 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.425 0.056 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.277 -1.143 2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.988 -0.400 3.802 1.00 0.00 H new ATOM 569 N ASP A 41 -6.787 -0.563 0.793 1.00 0.00 N ATOM 570 CA ASP A 41 -5.706 -0.706 -0.167 1.00 0.00 C ATOM 571 C ASP A 41 -4.765 -1.820 0.293 1.00 0.00 C ATOM 572 O ASP A 41 -4.763 -2.192 1.466 1.00 0.00 O ATOM 573 CB ASP A 41 -4.893 0.585 -0.277 1.00 0.00 C ATOM 574 CG ASP A 41 -5.219 1.453 -1.494 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.184 1.096 -2.204 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.497 2.455 -1.686 1.00 0.00 O ATOM 0 HA ASP A 41 -6.145 -0.939 -1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.053 1.176 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.834 0.328 -0.306 1.00 0.00 H new ATOM 581 N LEU A 42 -3.987 -2.323 -0.654 1.00 0.00 N ATOM 582 CA LEU A 42 -3.043 -3.388 -0.360 1.00 0.00 C ATOM 583 C LEU A 42 -1.643 -2.791 -0.197 1.00 0.00 C ATOM 584 O LEU A 42 -1.334 -1.755 -0.783 1.00 0.00 O ATOM 585 CB LEU A 42 -3.124 -4.485 -1.423 1.00 0.00 C ATOM 586 CG LEU A 42 -2.463 -5.818 -1.064 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.350 -6.631 -0.120 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.094 -6.603 -2.324 1.00 0.00 C ATOM 0 H LEU A 42 -3.991 -2.013 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.296 -3.872 0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.175 -4.671 -1.645 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.667 -4.110 -2.339 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.535 -5.609 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.858 -7.574 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.519 -6.066 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.306 -6.833 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.626 -7.546 -2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.995 -6.804 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.398 -6.019 -2.926 1.00 0.00 H new ATOM 600 N SER A 43 -0.833 -3.472 0.600 1.00 0.00 N ATOM 601 CA SER A 43 0.527 -3.023 0.847 1.00 0.00 C ATOM 602 C SER A 43 1.518 -3.921 0.102 1.00 0.00 C ATOM 603 O SER A 43 1.407 -5.145 0.149 1.00 0.00 O ATOM 604 CB SER A 43 0.841 -3.014 2.344 1.00 0.00 C ATOM 605 OG SER A 43 0.560 -4.269 2.957 1.00 0.00 O ATOM 0 H SER A 43 -1.092 -4.332 1.083 1.00 0.00 H new ATOM 0 HA SER A 43 0.622 -2.002 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.892 -2.766 2.492 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.257 -2.234 2.832 1.00 0.00 H new ATOM 0 HG SER A 43 0.718 -4.990 2.313 1.00 0.00 H new ATOM 611 N PHE A 44 2.463 -3.278 -0.566 1.00 0.00 N ATOM 612 CA PHE A 44 3.473 -4.002 -1.318 1.00 0.00 C ATOM 613 C PHE A 44 4.839 -3.323 -1.199 1.00 0.00 C ATOM 614 O PHE A 44 5.010 -2.400 -0.405 1.00 0.00 O ATOM 615 CB PHE A 44 3.035 -3.986 -2.784 1.00 0.00 C ATOM 616 CG PHE A 44 2.545 -2.622 -3.273 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.431 -1.722 -3.779 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.223 -2.309 -3.202 1.00 0.00 C ATOM 619 CE1 PHE A 44 2.975 -0.456 -4.231 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.768 -1.042 -3.655 1.00 0.00 C ATOM 621 CZ PHE A 44 1.654 -0.143 -4.160 1.00 0.00 C ATOM 0 H PHE A 44 2.551 -2.262 -0.602 1.00 0.00 H new ATOM 0 HA PHE A 44 3.568 -5.017 -0.932 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.872 -4.304 -3.406 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.239 -4.717 -2.922 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.480 -1.971 -3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.520 -3.024 -2.801 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.678 0.259 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.281 -0.793 -3.598 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.308 0.820 -4.505 1.00 0.00 H new ATOM 631 N GLN A 45 5.777 -3.806 -2.001 1.00 0.00 N ATOM 632 CA GLN A 45 7.122 -3.256 -1.996 1.00 0.00 C ATOM 633 C GLN A 45 7.576 -2.951 -3.424 1.00 0.00 C ATOM 634 O GLN A 45 7.019 -3.483 -4.384 1.00 0.00 O ATOM 635 CB GLN A 45 8.099 -4.207 -1.301 1.00 0.00 C ATOM 636 CG GLN A 45 7.948 -4.132 0.220 1.00 0.00 C ATOM 637 CD GLN A 45 8.635 -5.320 0.898 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.511 -5.964 0.343 1.00 0.00 O ATOM 639 NE2 GLN A 45 8.190 -5.573 2.125 1.00 0.00 N ATOM 0 H GLN A 45 5.632 -4.572 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 45 7.111 -2.323 -1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.920 -5.228 -1.638 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.121 -3.953 -1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.379 -3.200 0.586 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.891 -4.120 0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.454 -4.994 2.530 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.585 -6.346 2.661 1.00 0.00 H new ATOM 648 N LYS A 46 8.583 -2.096 -3.521 1.00 0.00 N ATOM 649 CA LYS A 46 9.119 -1.713 -4.816 1.00 0.00 C ATOM 650 C LYS A 46 9.761 -2.934 -5.479 1.00 0.00 C ATOM 651 O LYS A 46 10.862 -3.338 -5.108 1.00 0.00 O ATOM 652 CB LYS A 46 10.067 -0.521 -4.673 1.00 0.00 C ATOM 653 CG LYS A 46 10.502 0.002 -6.044 1.00 0.00 C ATOM 654 CD LYS A 46 11.927 0.554 -5.992 1.00 0.00 C ATOM 655 CE LYS A 46 12.675 0.266 -7.296 1.00 0.00 C ATOM 656 NZ LYS A 46 14.097 -0.039 -7.021 1.00 0.00 N ATOM 0 H LYS A 46 9.042 -1.657 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 46 8.319 -1.376 -5.475 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.574 0.276 -4.116 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.944 -0.817 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.446 -0.801 -6.778 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.817 0.783 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 46 11.898 1.629 -5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.463 0.108 -5.155 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.210 -0.574 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.603 1.127 -7.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.590 -0.232 -7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.542 0.774 -6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.160 -0.874 -6.404 1.00 0.00 H new ATOM 670 N GLY A 47 9.046 -3.486 -6.447 1.00 0.00 N ATOM 671 CA GLY A 47 9.532 -4.653 -7.164 1.00 0.00 C ATOM 672 C GLY A 47 8.567 -5.831 -7.013 1.00 0.00 C ATOM 673 O GLY A 47 8.800 -6.903 -7.569 1.00 0.00 O ATOM 0 H GLY A 47 8.134 -3.147 -6.752 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.653 -4.411 -8.220 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.515 -4.933 -6.786 1.00 0.00 H new ATOM 677 N ASP A 48 7.505 -5.591 -6.258 1.00 0.00 N ATOM 678 CA ASP A 48 6.505 -6.620 -6.027 1.00 0.00 C ATOM 679 C ASP A 48 5.500 -6.615 -7.180 1.00 0.00 C ATOM 680 O ASP A 48 5.070 -5.553 -7.630 1.00 0.00 O ATOM 681 CB ASP A 48 5.737 -6.359 -4.729 1.00 0.00 C ATOM 682 CG ASP A 48 5.666 -7.550 -3.771 1.00 0.00 C ATOM 683 OD1 ASP A 48 4.930 -8.504 -4.105 1.00 0.00 O ATOM 684 OD2 ASP A 48 6.347 -7.479 -2.725 1.00 0.00 O ATOM 0 H ASP A 48 7.315 -4.700 -5.799 1.00 0.00 H new ATOM 0 HA ASP A 48 7.017 -7.580 -5.957 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.204 -5.522 -4.210 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.722 -6.053 -4.980 1.00 0.00 H new ATOM 689 N GLN A 49 5.152 -7.814 -7.625 1.00 0.00 N ATOM 690 CA GLN A 49 4.205 -7.961 -8.717 1.00 0.00 C ATOM 691 C GLN A 49 2.823 -8.333 -8.175 1.00 0.00 C ATOM 692 O GLN A 49 2.712 -9.128 -7.243 1.00 0.00 O ATOM 693 CB GLN A 49 4.694 -8.998 -9.730 1.00 0.00 C ATOM 694 CG GLN A 49 5.953 -8.510 -10.450 1.00 0.00 C ATOM 695 CD GLN A 49 5.639 -8.113 -11.894 1.00 0.00 C ATOM 696 OE1 GLN A 49 4.853 -7.220 -12.161 1.00 0.00 O ATOM 697 NE2 GLN A 49 6.297 -8.822 -12.805 1.00 0.00 N ATOM 0 H GLN A 49 5.509 -8.692 -7.249 1.00 0.00 H new ATOM 0 HA GLN A 49 4.125 -7.005 -9.234 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.904 -9.939 -9.221 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.909 -9.198 -10.459 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.373 -7.657 -9.918 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.709 -9.295 -10.441 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.941 -9.556 -12.512 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.158 -8.632 -13.797 1.00 0.00 H new ATOM 706 N MET A 50 1.805 -7.740 -8.780 1.00 0.00 N ATOM 707 CA MET A 50 0.436 -7.999 -8.370 1.00 0.00 C ATOM 708 C MET A 50 -0.451 -8.299 -9.579 1.00 0.00 C ATOM 709 O MET A 50 -0.227 -7.767 -10.666 1.00 0.00 O ATOM 710 CB MET A 50 -0.112 -6.781 -7.624 1.00 0.00 C ATOM 711 CG MET A 50 0.815 -6.378 -6.476 1.00 0.00 C ATOM 712 SD MET A 50 0.408 -4.735 -5.910 1.00 0.00 S ATOM 713 CE MET A 50 1.847 -3.845 -6.480 1.00 0.00 C ATOM 0 H MET A 50 1.901 -7.080 -9.552 1.00 0.00 H new ATOM 0 HA MET A 50 0.431 -8.870 -7.715 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.224 -5.946 -8.316 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.104 -7.006 -7.233 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.720 -7.088 -5.655 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.853 -6.411 -6.807 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.756 -2.794 -6.207 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.741 -4.264 -6.017 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.924 -3.933 -7.564 1.00 0.00 H new ATOM 723 N VAL A 51 -1.441 -9.150 -9.351 1.00 0.00 N ATOM 724 CA VAL A 51 -2.363 -9.528 -10.408 1.00 0.00 C ATOM 725 C VAL A 51 -3.591 -8.615 -10.358 1.00 0.00 C ATOM 726 O VAL A 51 -4.529 -8.873 -9.605 1.00 0.00 O ATOM 727 CB VAL A 51 -2.716 -11.011 -10.289 1.00 0.00 C ATOM 728 CG1 VAL A 51 -4.004 -11.331 -11.052 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.560 -11.890 -10.774 1.00 0.00 C ATOM 0 H VAL A 51 -1.625 -9.589 -8.449 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.899 -9.396 -11.385 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.887 -11.231 -9.235 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.233 -12.392 -10.951 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.825 -10.742 -10.643 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.873 -11.087 -12.106 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.837 -12.940 -10.679 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.345 -11.665 -11.819 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.674 -11.692 -10.170 1.00 0.00 H new ATOM 739 N VAL A 52 -3.544 -7.569 -11.169 1.00 0.00 N ATOM 740 CA VAL A 52 -4.641 -6.618 -11.227 1.00 0.00 C ATOM 741 C VAL A 52 -5.912 -7.337 -11.683 1.00 0.00 C ATOM 742 O VAL A 52 -5.996 -7.792 -12.823 1.00 0.00 O ATOM 743 CB VAL A 52 -4.265 -5.439 -12.127 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.514 -4.727 -12.650 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.343 -4.462 -11.394 1.00 0.00 C ATOM 0 H VAL A 52 -2.764 -7.359 -11.791 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.839 -6.204 -10.238 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.721 -5.833 -12.985 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.218 -3.893 -13.287 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.118 -5.428 -13.227 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.098 -4.352 -11.809 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.091 -3.633 -12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.850 -4.078 -10.509 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.431 -4.978 -11.095 1.00 0.00 H new ATOM 755 N LEU A 53 -6.868 -7.418 -10.770 1.00 0.00 N ATOM 756 CA LEU A 53 -8.131 -8.074 -11.065 1.00 0.00 C ATOM 757 C LEU A 53 -9.136 -7.035 -11.566 1.00 0.00 C ATOM 758 O LEU A 53 -9.698 -7.182 -12.650 1.00 0.00 O ATOM 759 CB LEU A 53 -8.619 -8.867 -9.851 1.00 0.00 C ATOM 760 CG LEU A 53 -7.555 -9.681 -9.110 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.065 -10.130 -7.739 1.00 0.00 C ATOM 762 CD2 LEU A 53 -7.079 -10.862 -9.958 1.00 0.00 C ATOM 0 H LEU A 53 -6.794 -7.040 -9.825 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.003 -8.805 -11.864 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.072 -8.171 -9.145 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.406 -9.547 -10.178 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.691 -9.038 -8.939 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.290 -10.706 -7.233 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.316 -9.255 -7.140 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.953 -10.749 -7.866 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.324 -11.424 -9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.924 -11.513 -10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.650 -10.492 -10.889 1.00 0.00 H new ATOM 774 N GLU A 54 -9.333 -6.008 -10.752 1.00 0.00 N ATOM 775 CA GLU A 54 -10.261 -4.946 -11.098 1.00 0.00 C ATOM 776 C GLU A 54 -9.513 -3.622 -11.267 1.00 0.00 C ATOM 777 O GLU A 54 -8.545 -3.356 -10.555 1.00 0.00 O ATOM 778 CB GLU A 54 -11.368 -4.820 -10.048 1.00 0.00 C ATOM 779 CG GLU A 54 -12.532 -5.761 -10.365 1.00 0.00 C ATOM 780 CD GLU A 54 -13.614 -5.676 -9.285 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.486 -6.428 -8.296 1.00 0.00 O ATOM 782 OE2 GLU A 54 -14.542 -4.861 -9.476 1.00 0.00 O ATOM 0 H GLU A 54 -8.865 -5.889 -9.853 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.733 -5.198 -12.047 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.967 -5.051 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.726 -3.791 -10.013 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.959 -5.504 -11.334 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.167 -6.785 -10.439 1.00 0.00 H new ATOM 822 N GLU A 58 -7.724 4.684 -11.218 1.00 0.00 N ATOM 823 CA GLU A 58 -6.348 4.787 -10.767 1.00 0.00 C ATOM 824 C GLU A 58 -5.964 3.555 -9.944 1.00 0.00 C ATOM 825 O GLU A 58 -5.157 2.737 -10.383 1.00 0.00 O ATOM 826 CB GLU A 58 -6.127 6.072 -9.966 1.00 0.00 C ATOM 827 CG GLU A 58 -6.823 7.260 -10.633 1.00 0.00 C ATOM 828 CD GLU A 58 -6.045 7.731 -11.863 1.00 0.00 C ATOM 829 OE1 GLU A 58 -5.121 6.993 -12.267 1.00 0.00 O ATOM 830 OE2 GLU A 58 -6.393 8.818 -12.371 1.00 0.00 O ATOM 0 HA GLU A 58 -5.702 4.829 -11.644 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.509 5.944 -8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.059 6.273 -9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.834 6.977 -10.924 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.914 8.080 -9.920 1.00 0.00 H new ATOM 837 N TRP A 59 -6.562 3.462 -8.765 1.00 0.00 N ATOM 838 CA TRP A 59 -6.293 2.344 -7.877 1.00 0.00 C ATOM 839 C TRP A 59 -6.977 1.104 -8.458 1.00 0.00 C ATOM 840 O TRP A 59 -8.136 1.163 -8.865 1.00 0.00 O ATOM 841 CB TRP A 59 -6.741 2.659 -6.448 1.00 0.00 C ATOM 842 CG TRP A 59 -6.249 4.011 -5.926 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.726 5.229 -6.213 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.157 4.232 -5.008 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.025 6.215 -5.551 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.041 5.589 -4.794 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.298 3.314 -4.379 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.077 6.153 -3.950 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.339 3.893 -3.538 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.208 5.258 -3.313 1.00 0.00 C ATOM 0 H TRP A 59 -7.231 4.142 -8.405 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.222 2.153 -7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.830 2.640 -6.407 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.383 1.872 -5.784 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.555 5.416 -6.879 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.197 7.219 -5.607 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.372 2.247 -4.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.007 7.220 -3.798 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.653 3.232 -3.029 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.440 5.627 -2.650 1.00 0.00 H new ATOM 861 N TRP A 60 -6.230 0.010 -8.477 1.00 0.00 N ATOM 862 CA TRP A 60 -6.751 -1.242 -9.000 1.00 0.00 C ATOM 863 C TRP A 60 -6.652 -2.294 -7.894 1.00 0.00 C ATOM 864 O TRP A 60 -5.823 -2.177 -6.993 1.00 0.00 O ATOM 865 CB TRP A 60 -6.015 -1.649 -10.279 1.00 0.00 C ATOM 866 CG TRP A 60 -5.785 -0.496 -11.258 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.556 0.581 -11.460 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.672 -0.347 -12.166 1.00 0.00 C ATOM 869 NE1 TRP A 60 -6.025 1.410 -12.428 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.842 0.827 -12.870 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.559 -1.177 -12.384 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.938 1.277 -13.840 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.664 -0.714 -13.356 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.822 0.465 -14.074 1.00 0.00 C ATOM 0 H TRP A 60 -5.269 -0.036 -8.139 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.797 -1.135 -9.286 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.051 -2.081 -10.010 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.585 -2.430 -10.781 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.478 0.776 -10.932 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.426 2.288 -12.758 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.406 -2.100 -11.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.093 2.200 -14.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.790 -1.315 -13.562 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.086 0.754 -14.810 1.00 0.00 H new ATOM 885 N LYS A 61 -7.511 -3.299 -7.999 1.00 0.00 N ATOM 886 CA LYS A 61 -7.532 -4.370 -7.018 1.00 0.00 C ATOM 887 C LYS A 61 -6.714 -5.552 -7.543 1.00 0.00 C ATOM 888 O LYS A 61 -7.206 -6.344 -8.346 1.00 0.00 O ATOM 889 CB LYS A 61 -8.972 -4.734 -6.652 1.00 0.00 C ATOM 890 CG LYS A 61 -9.006 -5.803 -5.558 1.00 0.00 C ATOM 891 CD LYS A 61 -10.004 -6.910 -5.905 1.00 0.00 C ATOM 892 CE LYS A 61 -10.672 -7.461 -4.643 1.00 0.00 C ATOM 893 NZ LYS A 61 -11.968 -8.092 -4.977 1.00 0.00 N ATOM 0 H LYS A 61 -8.197 -3.393 -8.748 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.064 -4.044 -6.089 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.501 -3.844 -6.312 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.495 -5.097 -7.537 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.012 -6.231 -5.432 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.280 -5.347 -4.607 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.764 -6.520 -6.582 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.491 -7.715 -6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.017 -8.191 -4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.827 -6.656 -3.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.408 -8.461 -4.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.596 -7.386 -5.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.812 -8.874 -5.645 1.00 0.00 H new ATOM 907 N ALA A 62 -5.479 -5.633 -7.070 1.00 0.00 N ATOM 908 CA ALA A 62 -4.588 -6.704 -7.483 1.00 0.00 C ATOM 909 C ALA A 62 -4.224 -7.555 -6.265 1.00 0.00 C ATOM 910 O ALA A 62 -4.413 -7.130 -5.126 1.00 0.00 O ATOM 911 CB ALA A 62 -3.356 -6.110 -8.168 1.00 0.00 C ATOM 0 H ALA A 62 -5.074 -4.974 -6.405 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.080 -7.355 -8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.688 -6.914 -8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.666 -5.539 -9.043 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.834 -5.453 -7.472 1.00 0.00 H new ATOM 917 N ARG A 63 -3.708 -8.743 -6.546 1.00 0.00 N ATOM 918 CA ARG A 63 -3.316 -9.659 -5.488 1.00 0.00 C ATOM 919 C ARG A 63 -1.794 -9.803 -5.448 1.00 0.00 C ATOM 920 O ARG A 63 -1.174 -10.160 -6.449 1.00 0.00 O ATOM 921 CB ARG A 63 -3.947 -11.038 -5.690 1.00 0.00 C ATOM 922 CG ARG A 63 -3.146 -12.119 -4.961 1.00 0.00 C ATOM 923 CD ARG A 63 -2.311 -12.939 -5.946 1.00 0.00 C ATOM 924 NE ARG A 63 -3.199 -13.697 -6.856 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.777 -14.653 -7.694 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.477 -14.975 -7.742 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.655 -15.287 -8.483 1.00 0.00 N ATOM 0 H ARG A 63 -3.552 -9.092 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.670 -9.245 -4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.973 -11.030 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.992 -11.269 -6.754 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.492 -11.656 -4.222 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.825 -12.777 -4.419 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.663 -12.279 -6.523 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.663 -13.626 -5.402 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.195 -13.477 -6.844 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.809 -14.492 -7.141 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.155 -15.703 -8.380 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.644 -15.042 -8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.334 -16.015 -9.121 1.00 0.00 H new ATOM 941 N SER A 64 -1.234 -9.517 -4.282 1.00 0.00 N ATOM 942 CA SER A 64 0.204 -9.611 -4.098 1.00 0.00 C ATOM 943 C SER A 64 0.686 -11.019 -4.450 1.00 0.00 C ATOM 944 O SER A 64 0.119 -12.007 -3.984 1.00 0.00 O ATOM 945 CB SER A 64 0.601 -9.257 -2.664 1.00 0.00 C ATOM 946 OG SER A 64 1.992 -8.972 -2.549 1.00 0.00 O ATOM 0 H SER A 64 -1.751 -9.220 -3.454 1.00 0.00 H new ATOM 0 HA SER A 64 0.681 -8.893 -4.765 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.025 -8.393 -2.332 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.345 -10.084 -2.002 1.00 0.00 H new ATOM 0 HG SER A 64 2.204 -8.749 -1.619 1.00 0.00 H new ATOM 952 N LEU A 65 1.726 -11.067 -5.268 1.00 0.00 N ATOM 953 CA LEU A 65 2.291 -12.339 -5.689 1.00 0.00 C ATOM 954 C LEU A 65 3.366 -12.769 -4.688 1.00 0.00 C ATOM 955 O LEU A 65 4.239 -13.571 -5.017 1.00 0.00 O ATOM 956 CB LEU A 65 2.792 -12.252 -7.131 1.00 0.00 C ATOM 957 CG LEU A 65 1.746 -12.501 -8.220 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.652 -11.432 -8.182 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.403 -12.600 -9.598 1.00 0.00 C ATOM 0 H LEU A 65 2.193 -10.245 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 65 1.526 -13.115 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.221 -11.262 -7.287 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.599 -12.973 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 65 1.267 -13.460 -8.022 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.079 -11.631 -8.966 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.157 -11.452 -7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.097 -10.450 -8.342 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.638 -12.777 -10.354 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.924 -11.669 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.116 -13.425 -9.603 1.00 0.00 H new ATOM 971 N ALA A 66 3.267 -12.217 -3.487 1.00 0.00 N ATOM 972 CA ALA A 66 4.221 -12.534 -2.439 1.00 0.00 C ATOM 973 C ALA A 66 3.480 -13.155 -1.251 1.00 0.00 C ATOM 974 O ALA A 66 3.988 -14.071 -0.609 1.00 0.00 O ATOM 975 CB ALA A 66 4.990 -11.271 -2.048 1.00 0.00 C ATOM 0 H ALA A 66 2.541 -11.553 -3.217 1.00 0.00 H new ATOM 0 HA ALA A 66 4.950 -13.263 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.706 -11.510 -1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.522 -10.885 -2.918 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.291 -10.517 -1.686 1.00 0.00 H new ATOM 981 N THR A 67 2.289 -12.630 -0.999 1.00 0.00 N ATOM 982 CA THR A 67 1.473 -13.121 0.097 1.00 0.00 C ATOM 983 C THR A 67 0.120 -13.613 -0.422 1.00 0.00 C ATOM 984 O THR A 67 -0.664 -14.191 0.328 1.00 0.00 O ATOM 985 CB THR A 67 1.355 -12.004 1.136 1.00 0.00 C ATOM 986 OG1 THR A 67 0.695 -10.949 0.438 1.00 0.00 O ATOM 987 CG2 THR A 67 2.713 -11.409 1.513 1.00 0.00 C ATOM 0 H THR A 67 1.871 -11.870 -1.535 1.00 0.00 H new ATOM 0 HA THR A 67 1.934 -13.984 0.577 1.00 0.00 H new ATOM 0 HB THR A 67 0.867 -12.391 2.031 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.269 -10.154 0.428 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.572 -10.621 2.253 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.349 -12.190 1.931 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.187 -10.992 0.624 1.00 0.00 H new ATOM 995 N ARG A 68 -0.110 -13.366 -1.703 1.00 0.00 N ATOM 996 CA ARG A 68 -1.354 -13.776 -2.332 1.00 0.00 C ATOM 997 C ARG A 68 -2.528 -12.980 -1.758 1.00 0.00 C ATOM 998 O ARG A 68 -3.679 -13.401 -1.862 1.00 0.00 O ATOM 999 CB ARG A 68 -1.610 -15.270 -2.125 1.00 0.00 C ATOM 1000 CG ARG A 68 -0.379 -16.095 -2.508 1.00 0.00 C ATOM 1001 CD ARG A 68 0.100 -16.946 -1.329 1.00 0.00 C ATOM 1002 NE ARG A 68 1.551 -16.748 -1.119 1.00 0.00 N ATOM 1003 CZ ARG A 68 2.498 -17.183 -1.962 1.00 0.00 C ATOM 1004 NH1 ARG A 68 2.153 -17.842 -3.076 1.00 0.00 N ATOM 1005 NH2 ARG A 68 3.791 -16.958 -1.690 1.00 0.00 N ATOM 0 H ARG A 68 0.544 -12.887 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.265 -13.579 -3.400 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.868 -15.458 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.464 -15.583 -2.726 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.618 -16.740 -3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.422 -15.430 -2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.447 -16.673 -0.427 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.108 -17.999 -1.521 1.00 0.00 H new ATOM 0 HE ARG A 68 1.849 -16.249 -0.281 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.169 -18.013 -3.283 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.874 -18.173 -3.717 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.054 -16.456 -0.842 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.512 -17.289 -2.331 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.196 -11.843 -1.162 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.208 -10.986 -0.570 1.00 0.00 C ATOM 1021 C LYS A 69 -4.065 -10.374 -1.681 1.00 0.00 C ATOM 1022 O LYS A 69 -3.808 -10.599 -2.863 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.560 -9.948 0.348 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.020 -10.603 1.621 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.124 -9.636 2.398 1.00 0.00 C ATOM 1026 CE LYS A 69 -0.457 -10.338 3.582 1.00 0.00 C ATOM 1027 NZ LYS A 69 -1.185 -10.045 4.836 1.00 0.00 N ATOM 0 H LYS A 69 -1.240 -11.496 -1.077 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.876 -11.568 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.749 -9.447 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.290 -9.183 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.851 -10.921 2.251 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.456 -11.499 1.362 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.361 -9.229 1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.716 -8.794 2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.436 -11.414 3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.579 -10.010 3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.719 -10.529 5.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.183 -9.019 5.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.166 -10.380 4.754 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.065 -9.614 -1.261 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.962 -8.969 -2.206 1.00 0.00 C ATOM 1043 C GLU A 70 -6.436 -7.623 -1.653 1.00 0.00 C ATOM 1044 O GLU A 70 -7.013 -7.563 -0.568 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.149 -9.874 -2.540 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.798 -10.843 -3.671 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.885 -11.906 -3.840 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.981 -11.528 -4.306 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -7.595 -13.073 -3.499 1.00 0.00 O ATOM 0 H GLU A 70 -5.274 -9.430 -0.280 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.415 -8.787 -3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.444 -10.436 -1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.005 -9.265 -2.831 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.676 -10.291 -4.603 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.843 -11.325 -3.459 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.176 -6.578 -2.425 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.571 -5.237 -2.025 1.00 0.00 C ATOM 1058 C GLY A 71 -6.264 -4.224 -3.130 1.00 0.00 C ATOM 1059 O GLY A 71 -5.518 -4.523 -4.062 1.00 0.00 O ATOM 0 H GLY A 71 -5.697 -6.632 -3.324 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.637 -5.220 -1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.045 -4.956 -1.112 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.853 -3.047 -2.989 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.653 -1.987 -3.964 1.00 0.00 C ATOM 1065 C TYR A 72 -5.240 -1.410 -3.862 1.00 0.00 C ATOM 1066 O TYR A 72 -4.721 -1.218 -2.763 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.664 -0.895 -3.613 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.117 -1.274 -3.905 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.460 -1.797 -5.136 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.086 -1.094 -2.938 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.828 -2.154 -5.411 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.453 -1.452 -3.212 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.757 -1.965 -4.436 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.048 -2.302 -4.696 1.00 0.00 O ATOM 0 H TYR A 72 -7.470 -2.803 -2.214 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.784 -2.367 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.568 -0.653 -2.555 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.416 0.008 -4.171 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.702 -1.938 -5.893 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.818 -0.684 -1.975 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.110 -2.563 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.220 -1.317 -2.464 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.600 -2.114 -3.909 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.657 -1.149 -5.023 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.314 -0.596 -5.078 1.00 0.00 C ATOM 1086 C ILE A 73 -3.277 0.543 -6.100 1.00 0.00 C ATOM 1087 O ILE A 73 -4.061 0.557 -7.047 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.291 -1.700 -5.351 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.630 -2.456 -6.637 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.166 -2.640 -4.150 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.493 -2.345 -7.654 1.00 0.00 C ATOM 0 H ILE A 73 -5.090 -1.310 -5.932 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.038 -0.169 -4.114 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.317 -1.234 -5.499 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.817 -3.505 -6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.548 -2.056 -7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.433 -3.416 -4.370 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.844 -2.073 -3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.132 -3.101 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.760 -2.891 -8.559 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.325 -1.296 -7.899 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.583 -2.768 -7.230 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.334 1.493 -5.867 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.184 2.633 -6.756 1.00 0.00 C ATOM 1105 C PRO A 74 -1.498 2.223 -8.061 1.00 0.00 C ATOM 1106 O PRO A 74 -0.626 1.356 -8.063 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.385 3.651 -5.960 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.721 2.873 -4.835 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.388 1.510 -4.755 1.00 0.00 C ATOM 0 HA PRO A 74 -3.141 3.053 -7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.641 4.141 -6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.033 4.433 -5.564 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.347 2.765 -5.024 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.825 3.405 -3.889 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.657 0.706 -4.845 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.897 1.374 -3.801 1.00 0.00 H new ATOM 1117 N SER A 75 -1.919 2.867 -9.141 1.00 0.00 N ATOM 1118 CA SER A 75 -1.357 2.581 -10.450 1.00 0.00 C ATOM 1119 C SER A 75 -0.106 3.431 -10.678 1.00 0.00 C ATOM 1120 O SER A 75 0.794 3.033 -11.417 1.00 0.00 O ATOM 1121 CB SER A 75 -2.381 2.835 -11.556 1.00 0.00 C ATOM 1122 OG SER A 75 -1.803 3.499 -12.677 1.00 0.00 O ATOM 0 H SER A 75 -2.643 3.586 -9.136 1.00 0.00 H new ATOM 0 HA SER A 75 -1.083 1.527 -10.482 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.809 1.886 -11.878 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.200 3.437 -11.161 1.00 0.00 H new ATOM 0 HG SER A 75 -2.167 3.121 -13.505 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.088 4.587 -10.031 1.00 0.00 N ATOM 1129 CA ASN A 76 1.038 5.497 -10.156 1.00 0.00 C ATOM 1130 C ASN A 76 2.243 4.914 -9.416 1.00 0.00 C ATOM 1131 O ASN A 76 3.337 5.476 -9.463 1.00 0.00 O ATOM 1132 CB ASN A 76 0.717 6.859 -9.536 1.00 0.00 C ATOM 1133 CG ASN A 76 0.778 6.794 -8.008 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.729 5.736 -7.404 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.887 7.982 -7.421 1.00 0.00 N ATOM 0 H ASN A 76 -0.835 4.914 -9.419 1.00 0.00 H new ATOM 0 HA ASN A 76 1.252 5.625 -11.217 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.424 7.604 -9.900 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.276 7.181 -9.851 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.935 8.046 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.923 8.829 -7.988 1.00 0.00 H new ATOM 1142 N TYR A 77 2.003 3.794 -8.750 1.00 0.00 N ATOM 1143 CA TYR A 77 3.055 3.129 -8.001 1.00 0.00 C ATOM 1144 C TYR A 77 3.366 1.753 -8.595 1.00 0.00 C ATOM 1145 O TYR A 77 4.026 0.932 -7.960 1.00 0.00 O ATOM 1146 CB TYR A 77 2.514 2.947 -6.582 1.00 0.00 C ATOM 1147 CG TYR A 77 3.145 3.885 -5.550 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.206 5.241 -5.797 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.653 3.374 -4.373 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.799 6.124 -4.826 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.246 4.257 -3.402 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.291 5.589 -3.677 1.00 0.00 C ATOM 1153 OH TYR A 77 4.851 6.421 -2.760 1.00 0.00 O ATOM 0 H TYR A 77 1.095 3.330 -8.714 1.00 0.00 H new ATOM 0 HA TYR A 77 3.973 3.717 -8.026 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.436 3.107 -6.592 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.680 1.916 -6.270 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.809 5.640 -6.719 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.606 2.312 -4.180 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.852 7.187 -5.007 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.646 3.871 -2.476 1.00 0.00 H new ATOM 0 HH TYR A 77 4.579 7.344 -2.946 1.00 0.00 H new ATOM 1163 N VAL A 78 2.874 1.543 -9.808 1.00 0.00 N ATOM 1164 CA VAL A 78 3.090 0.281 -10.495 1.00 0.00 C ATOM 1165 C VAL A 78 3.366 0.552 -11.975 1.00 0.00 C ATOM 1166 O VAL A 78 3.132 1.658 -12.461 1.00 0.00 O ATOM 1167 CB VAL A 78 1.895 -0.648 -10.269 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.509 -0.695 -8.790 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.705 -0.231 -11.135 1.00 0.00 C ATOM 0 H VAL A 78 2.327 2.226 -10.332 1.00 0.00 H new ATOM 0 HA VAL A 78 3.963 -0.230 -10.090 1.00 0.00 H new ATOM 0 HB VAL A 78 2.190 -1.653 -10.569 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.657 -1.362 -8.657 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.352 -1.062 -8.205 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.242 0.306 -8.452 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.131 -0.907 -10.955 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.409 0.787 -10.881 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.987 -0.275 -12.187 1.00 0.00 H new ATOM 1179 N ALA A 79 3.860 -0.476 -12.650 1.00 0.00 N ATOM 1180 CA ALA A 79 4.170 -0.362 -14.064 1.00 0.00 C ATOM 1181 C ALA A 79 4.062 -1.741 -14.718 1.00 0.00 C ATOM 1182 O ALA A 79 4.916 -2.601 -14.507 1.00 0.00 O ATOM 1183 CB ALA A 79 5.560 0.256 -14.235 1.00 0.00 C ATOM 0 H ALA A 79 4.053 -1.391 -12.243 1.00 0.00 H new ATOM 0 HA ALA A 79 3.457 0.296 -14.561 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.792 0.341 -15.297 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.577 1.246 -13.779 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.302 -0.379 -13.751 1.00 0.00 H new ATOM 1189 N ARG A 80 3.005 -1.909 -15.499 1.00 0.00 N ATOM 1190 CA ARG A 80 2.774 -3.169 -16.184 1.00 0.00 C ATOM 1191 C ARG A 80 4.103 -3.780 -16.635 1.00 0.00 C ATOM 1192 O ARG A 80 5.002 -3.064 -17.071 1.00 0.00 O ATOM 1193 CB ARG A 80 1.870 -2.976 -17.404 1.00 0.00 C ATOM 1194 CG ARG A 80 0.418 -3.326 -17.071 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.253 -4.048 -18.242 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.352 -3.219 -18.784 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.034 -3.511 -19.901 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.731 -4.613 -20.601 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.016 -2.701 -20.318 1.00 0.00 N ATOM 0 H ARG A 80 2.299 -1.193 -15.673 1.00 0.00 H new ATOM 0 HA ARG A 80 2.280 -3.841 -15.482 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.930 -1.943 -17.746 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.220 -3.603 -18.224 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.387 -3.958 -16.183 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.134 -2.416 -16.835 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.480 -4.251 -19.023 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.642 -5.011 -17.912 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.607 -2.372 -18.276 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -0.982 -5.229 -20.284 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.249 -4.836 -21.451 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.245 -1.862 -19.786 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.534 -2.924 -21.168 1.00 0.00 H new ATOM 1213 N VAL A 81 4.183 -5.097 -16.516 1.00 0.00 N ATOM 1214 CA VAL A 81 5.387 -5.812 -16.905 1.00 0.00 C ATOM 1215 C VAL A 81 5.604 -5.651 -18.411 1.00 0.00 C ATOM 1216 O VAL A 81 6.743 -5.579 -18.872 1.00 0.00 O ATOM 1217 CB VAL A 81 5.291 -7.275 -16.468 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.801 -8.159 -17.616 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.631 -7.773 -15.925 1.00 0.00 C ATOM 0 H VAL A 81 3.434 -5.688 -16.156 1.00 0.00 H new ATOM 0 HA VAL A 81 6.260 -5.394 -16.403 1.00 0.00 H new ATOM 0 HB VAL A 81 4.559 -7.337 -15.662 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.742 -9.194 -17.279 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.814 -7.825 -17.937 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.497 -8.089 -18.452 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.536 -8.815 -15.621 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.392 -7.689 -16.701 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.922 -7.170 -15.065 1.00 0.00 H new ATOM 1229 N ASP A 82 4.496 -5.599 -19.135 1.00 0.00 N ATOM 1230 CA ASP A 82 4.553 -5.449 -20.579 1.00 0.00 C ATOM 1231 C ASP A 82 4.627 -3.961 -20.930 1.00 0.00 C ATOM 1232 O ASP A 82 4.487 -3.586 -22.093 1.00 0.00 O ATOM 1233 CB ASP A 82 3.301 -6.029 -21.242 1.00 0.00 C ATOM 1234 CG ASP A 82 3.536 -6.681 -22.606 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.503 -7.469 -22.700 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.745 -6.378 -23.524 1.00 0.00 O ATOM 0 H ASP A 82 3.554 -5.658 -18.749 1.00 0.00 H new ATOM 0 HA ASP A 82 5.433 -5.982 -20.940 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.863 -6.769 -20.572 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.567 -5.232 -21.359 1.00 0.00 H new ATOM 1241 N SER A 83 4.846 -3.154 -19.902 1.00 0.00 N ATOM 1242 CA SER A 83 4.941 -1.716 -20.087 1.00 0.00 C ATOM 1243 C SER A 83 6.324 -1.223 -19.660 1.00 0.00 C ATOM 1244 O SER A 83 6.486 -0.061 -19.288 1.00 0.00 O ATOM 1245 CB SER A 83 3.850 -0.986 -19.300 1.00 0.00 C ATOM 1246 OG SER A 83 3.850 0.415 -19.560 1.00 0.00 O ATOM 0 H SER A 83 4.960 -3.469 -18.939 1.00 0.00 H new ATOM 0 HA SER A 83 4.796 -1.497 -21.145 1.00 0.00 H new ATOM 0 HB2 SER A 83 2.876 -1.403 -19.558 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.997 -1.157 -18.233 1.00 0.00 H new ATOM 0 HG SER A 83 4.773 0.745 -19.572 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.539 11.080 -5.232 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.720 11.483 -6.363 1.00 0.00 C ATOM 1380 C PRO B 124 -4.368 10.767 -6.343 1.00 0.00 C ATOM 1381 O PRO B 124 -3.323 11.402 -6.477 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.595 12.993 -6.241 1.00 0.00 C ATOM 1383 CG PRO B 124 -5.953 13.325 -4.801 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.613 12.101 -4.190 1.00 0.00 C ATOM 0 HA PRO B 124 -6.162 11.210 -7.321 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.583 13.322 -6.478 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.265 13.498 -6.937 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.060 13.597 -4.239 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.627 14.181 -4.763 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.095 11.782 -3.286 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.646 12.307 -3.910 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.432 9.454 -6.175 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.225 8.646 -6.136 1.00 0.00 C ATOM 1394 C LEU B 125 -2.314 9.150 -5.014 1.00 0.00 C ATOM 1395 O LEU B 125 -2.414 10.304 -4.601 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.552 8.620 -7.510 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.140 7.639 -8.526 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.812 8.071 -9.957 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.677 6.210 -8.239 1.00 0.00 C ATOM 0 H LEU B 125 -5.300 8.930 -6.064 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.469 7.609 -5.907 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.598 9.623 -7.934 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.498 8.381 -7.372 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.225 7.652 -8.426 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.241 7.357 -10.660 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.230 9.060 -10.143 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.730 8.104 -10.088 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.109 5.533 -8.976 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.590 6.162 -8.296 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.002 5.916 -7.241 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.424 8.236 -4.542 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.497 8.576 -3.477 1.00 0.00 C ATOM 1413 C PRO B 126 0.636 9.462 -3.999 1.00 0.00 C ATOM 1414 O PRO B 126 0.817 9.597 -5.208 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.008 7.241 -2.940 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.318 6.219 -4.021 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.278 6.860 -5.008 1.00 0.00 C ATOM 0 HA PRO B 126 -0.963 9.162 -2.685 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.061 7.273 -2.728 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.511 6.987 -2.007 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.597 5.908 -4.526 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.761 5.324 -3.584 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.884 6.826 -6.024 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.237 6.342 -5.021 1.00 0.00 H new ATOM 1425 N PRO B 127 1.390 10.058 -3.036 1.00 0.00 N ATOM 1426 CA PRO B 127 2.501 10.927 -3.386 1.00 0.00 C ATOM 1427 C PRO B 127 3.702 10.112 -3.871 1.00 0.00 C ATOM 1428 O PRO B 127 4.207 9.255 -3.148 1.00 0.00 O ATOM 1429 CB PRO B 127 2.792 11.720 -2.123 1.00 0.00 C ATOM 1430 CG PRO B 127 2.148 10.945 -0.984 1.00 0.00 C ATOM 1431 CD PRO B 127 1.205 9.921 -1.594 1.00 0.00 C ATOM 0 HA PRO B 127 2.268 11.595 -4.215 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.866 11.824 -1.966 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.381 12.727 -2.191 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.909 10.451 -0.380 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.604 11.619 -0.323 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.445 8.912 -1.258 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.171 10.115 -1.307 1.00 0.00 H new ATOM 1439 N LEU B 128 4.124 10.410 -5.091 1.00 0.00 N ATOM 1440 CA LEU B 128 5.256 9.716 -5.680 1.00 0.00 C ATOM 1441 C LEU B 128 6.519 10.033 -4.875 1.00 0.00 C ATOM 1442 O LEU B 128 6.797 11.195 -4.582 1.00 0.00 O ATOM 1443 CB LEU B 128 5.376 10.054 -7.168 1.00 0.00 C ATOM 1444 CG LEU B 128 4.613 9.137 -8.127 1.00 0.00 C ATOM 1445 CD1 LEU B 128 5.402 7.857 -8.407 1.00 0.00 C ATOM 1446 CD2 LEU B 128 3.208 8.840 -7.599 1.00 0.00 C ATOM 0 H LEU B 128 3.703 11.122 -5.687 1.00 0.00 H new ATOM 0 HA LEU B 128 5.108 8.637 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.026 11.075 -7.318 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.431 10.035 -7.441 1.00 0.00 H new ATOM 0 HG LEU B 128 4.497 9.658 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.837 7.224 -9.091 1.00 0.00 H new ATOM 0 HD12 LEU B 128 6.361 8.112 -8.857 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.571 7.322 -7.473 1.00 0.00 H new ATOM 0 HD21 LEU B 128 2.687 8.187 -8.299 1.00 0.00 H new ATOM 0 HD22 LEU B 128 3.280 8.349 -6.629 1.00 0.00 H new ATOM 0 HD23 LEU B 128 2.654 9.773 -7.493 1.00 0.00 H new ATOM 1458 N PRO B 129 7.267 8.950 -4.532 1.00 0.00 N ATOM 1459 CA PRO B 129 8.494 9.102 -3.766 1.00 0.00 C ATOM 1460 C PRO B 129 9.623 9.649 -4.641 1.00 0.00 C ATOM 1461 O PRO B 129 10.536 10.307 -4.144 1.00 0.00 O ATOM 1462 CB PRO B 129 8.787 7.716 -3.217 1.00 0.00 C ATOM 1463 CG PRO B 129 7.981 6.750 -4.069 1.00 0.00 C ATOM 1464 CD PRO B 129 6.969 7.561 -4.862 1.00 0.00 C ATOM 0 HA PRO B 129 8.398 9.826 -2.957 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.852 7.491 -3.273 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.501 7.643 -2.168 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.636 6.195 -4.741 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.475 6.017 -3.440 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.067 7.379 -5.932 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.948 7.299 -4.586 1.00 0.00 H new