USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=10 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 USER MOD Single : A 34 TYR OH : rot 126:sc= 1.08 USER MOD Single : A 43 SER OG : rot -171:sc= -6.04! USER MOD Single : A 45 GLN : amide:sc= -0.0044 X(o=-0.0044,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.13 X(o=-1.1,f=-1.4) USER MOD Single : A 50 MET CE :methyl -178:sc= -0.0287 (180deg=-0.03) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -53:sc= 0.0214 USER MOD Single : A 67 THR OG1 : rot -138:sc= -1.77 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 124:sc= 2.01 USER MOD Single : A 76 ASN : amide:sc= -6.65! C(o=-6.6!,f=-15!) USER MOD Single : A 77 TYR OH : rot 26:sc= -1.35! USER MOD Single : A 83 SER OG : rot -51:sc= 0.34 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.474 -8.631 -15.375 1.00 0.00 N ATOM 324 CA ILE A 26 -2.642 -7.456 -15.572 1.00 0.00 C ATOM 325 C ILE A 26 -1.565 -7.410 -14.486 1.00 0.00 C ATOM 326 O ILE A 26 -1.832 -6.990 -13.360 1.00 0.00 O ATOM 327 CB ILE A 26 -3.505 -6.194 -15.637 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.245 -6.104 -16.973 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.668 -4.943 -15.361 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.335 -5.546 -18.068 1.00 0.00 C ATOM 0 HA ILE A 26 -2.126 -7.511 -16.530 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.260 -6.256 -14.854 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.603 -7.092 -17.262 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.122 -5.466 -16.864 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.305 -4.060 -15.413 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.226 -5.013 -14.367 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.876 -4.863 -16.106 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.886 -5.493 -19.007 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.998 -4.548 -17.788 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.471 -6.199 -18.191 1.00 0.00 H new ATOM 342 N ILE A 27 -0.373 -7.848 -14.861 1.00 0.00 N ATOM 343 CA ILE A 27 0.745 -7.862 -13.932 1.00 0.00 C ATOM 344 C ILE A 27 1.425 -6.491 -13.938 1.00 0.00 C ATOM 345 O ILE A 27 1.824 -5.998 -14.992 1.00 0.00 O ATOM 346 CB ILE A 27 1.692 -9.020 -14.250 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.909 -10.287 -14.603 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.677 -9.255 -13.104 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.313 -10.929 -13.349 1.00 0.00 C ATOM 0 H ILE A 27 -0.156 -8.196 -15.795 1.00 0.00 H new ATOM 0 HA ILE A 27 0.393 -8.039 -12.916 1.00 0.00 H new ATOM 0 HB ILE A 27 2.280 -8.749 -15.127 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.112 -10.043 -15.305 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.567 -10.998 -15.103 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.338 -10.084 -13.357 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.269 -8.354 -12.943 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.126 -9.495 -12.194 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.238 -11.827 -13.627 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.115 -11.194 -12.660 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.363 -10.224 -12.865 1.00 0.00 H new ATOM 361 N VAL A 28 1.537 -5.916 -12.750 1.00 0.00 N ATOM 362 CA VAL A 28 2.163 -4.612 -12.606 1.00 0.00 C ATOM 363 C VAL A 28 3.163 -4.657 -11.449 1.00 0.00 C ATOM 364 O VAL A 28 2.823 -5.081 -10.346 1.00 0.00 O ATOM 365 CB VAL A 28 1.091 -3.534 -12.428 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.144 -3.499 -13.630 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.316 -3.742 -11.125 1.00 0.00 C ATOM 0 H VAL A 28 1.205 -6.329 -11.878 1.00 0.00 H new ATOM 0 HA VAL A 28 2.719 -4.353 -13.507 1.00 0.00 H new ATOM 0 HB VAL A 28 1.593 -2.568 -12.369 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.608 -2.725 -13.478 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.712 -3.281 -14.534 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.347 -4.466 -13.734 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.439 -2.963 -11.023 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.169 -4.718 -11.142 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.004 -3.694 -10.281 1.00 0.00 H new ATOM 377 N VAL A 29 4.376 -4.213 -11.741 1.00 0.00 N ATOM 378 CA VAL A 29 5.428 -4.197 -10.739 1.00 0.00 C ATOM 379 C VAL A 29 5.396 -2.862 -9.993 1.00 0.00 C ATOM 380 O VAL A 29 5.291 -1.803 -10.611 1.00 0.00 O ATOM 381 CB VAL A 29 6.781 -4.481 -11.396 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.360 -3.214 -12.030 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.762 -5.089 -10.391 1.00 0.00 C ATOM 0 H VAL A 29 4.654 -3.861 -12.657 1.00 0.00 H new ATOM 0 HA VAL A 29 5.266 -4.985 -10.003 1.00 0.00 H new ATOM 0 HB VAL A 29 6.621 -5.210 -12.191 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.321 -3.444 -12.490 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.674 -2.842 -12.791 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.498 -2.453 -11.262 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.715 -5.281 -10.884 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.914 -4.394 -9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.357 -6.025 -10.008 1.00 0.00 H new ATOM 393 N ALA A 30 5.487 -2.955 -8.675 1.00 0.00 N ATOM 394 CA ALA A 30 5.469 -1.768 -7.837 1.00 0.00 C ATOM 395 C ALA A 30 6.667 -0.883 -8.189 1.00 0.00 C ATOM 396 O ALA A 30 7.802 -1.356 -8.230 1.00 0.00 O ATOM 397 CB ALA A 30 5.462 -2.182 -6.365 1.00 0.00 C ATOM 0 H ALA A 30 5.574 -3.835 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 30 4.565 -1.186 -8.015 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.449 -1.291 -5.737 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.577 -2.784 -6.161 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.356 -2.766 -6.147 1.00 0.00 H new ATOM 403 N LEU A 31 6.372 0.386 -8.433 1.00 0.00 N ATOM 404 CA LEU A 31 7.411 1.342 -8.779 1.00 0.00 C ATOM 405 C LEU A 31 8.033 1.899 -7.498 1.00 0.00 C ATOM 406 O LEU A 31 9.158 2.396 -7.515 1.00 0.00 O ATOM 407 CB LEU A 31 6.857 2.419 -9.714 1.00 0.00 C ATOM 408 CG LEU A 31 6.492 1.959 -11.127 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.179 3.155 -12.029 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.591 1.071 -11.715 1.00 0.00 C ATOM 0 H LEU A 31 5.429 0.774 -8.398 1.00 0.00 H new ATOM 0 HA LEU A 31 8.211 0.852 -9.334 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.968 2.850 -9.253 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.594 3.218 -9.793 1.00 0.00 H new ATOM 0 HG LEU A 31 5.587 1.355 -11.067 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.923 2.801 -13.027 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.339 3.713 -11.615 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.052 3.805 -12.088 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.307 0.758 -12.720 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.525 1.630 -11.760 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.724 0.192 -11.085 1.00 0.00 H new ATOM 422 N TYR A 32 7.273 1.799 -6.417 1.00 0.00 N ATOM 423 CA TYR A 32 7.736 2.288 -5.128 1.00 0.00 C ATOM 424 C TYR A 32 7.056 1.537 -3.982 1.00 0.00 C ATOM 425 O TYR A 32 5.885 1.176 -4.080 1.00 0.00 O ATOM 426 CB TYR A 32 7.333 3.762 -5.068 1.00 0.00 C ATOM 427 CG TYR A 32 7.437 4.492 -6.409 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.655 4.980 -6.836 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.313 4.663 -7.191 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.753 5.666 -8.098 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.411 5.349 -8.453 1.00 0.00 C ATOM 432 CZ TYR A 32 7.626 5.817 -8.844 1.00 0.00 C ATOM 433 OH TYR A 32 7.719 6.466 -10.036 1.00 0.00 O ATOM 0 H TYR A 32 6.340 1.387 -6.407 1.00 0.00 H new ATOM 0 HA TYR A 32 8.812 2.145 -5.025 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.307 3.833 -4.706 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.964 4.271 -4.339 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.535 4.847 -6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.359 4.282 -6.856 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.700 6.052 -8.444 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.539 5.489 -9.075 1.00 0.00 H new ATOM 0 HH TYR A 32 6.836 6.499 -10.460 1.00 0.00 H new ATOM 443 N ASP A 33 7.821 1.325 -2.920 1.00 0.00 N ATOM 444 CA ASP A 33 7.307 0.625 -1.756 1.00 0.00 C ATOM 445 C ASP A 33 5.999 1.281 -1.307 1.00 0.00 C ATOM 446 O ASP A 33 5.883 2.505 -1.307 1.00 0.00 O ATOM 447 CB ASP A 33 8.296 0.696 -0.590 1.00 0.00 C ATOM 448 CG ASP A 33 9.699 0.171 -0.900 1.00 0.00 C ATOM 449 OD1 ASP A 33 10.518 0.987 -1.375 1.00 0.00 O ATOM 450 OD2 ASP A 33 9.921 -1.034 -0.654 1.00 0.00 O ATOM 0 H ASP A 33 8.792 1.626 -2.842 1.00 0.00 H new ATOM 0 HA ASP A 33 7.148 -0.417 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.376 1.733 -0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 33 7.889 0.129 0.247 1.00 0.00 H new ATOM 455 N TYR A 34 5.048 0.438 -0.935 1.00 0.00 N ATOM 456 CA TYR A 34 3.753 0.920 -0.485 1.00 0.00 C ATOM 457 C TYR A 34 3.239 0.092 0.694 1.00 0.00 C ATOM 458 O TYR A 34 3.164 -1.133 0.611 1.00 0.00 O ATOM 459 CB TYR A 34 2.802 0.743 -1.671 1.00 0.00 C ATOM 460 CG TYR A 34 1.415 1.348 -1.451 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.239 2.715 -1.525 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.339 0.528 -1.179 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.066 3.286 -1.318 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.967 1.099 -0.972 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.106 2.450 -1.052 1.00 0.00 C ATOM 466 OH TYR A 34 -2.339 2.988 -0.856 1.00 0.00 O ATOM 0 H TYR A 34 5.148 -0.577 -0.936 1.00 0.00 H new ATOM 0 HA TYR A 34 3.823 1.957 -0.156 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.250 1.199 -2.554 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.694 -0.321 -1.881 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.081 3.357 -1.738 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.476 -0.542 -1.121 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.216 4.354 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.817 0.468 -0.758 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.980 2.568 -1.467 1.00 0.00 H new ATOM 476 N GLU A 35 2.900 0.794 1.765 1.00 0.00 N ATOM 477 CA GLU A 35 2.395 0.139 2.960 1.00 0.00 C ATOM 478 C GLU A 35 0.929 0.511 3.189 1.00 0.00 C ATOM 479 O GLU A 35 0.568 0.995 4.261 1.00 0.00 O ATOM 480 CB GLU A 35 3.248 0.492 4.180 1.00 0.00 C ATOM 481 CG GLU A 35 3.822 -0.768 4.831 1.00 0.00 C ATOM 482 CD GLU A 35 3.854 -0.631 6.355 1.00 0.00 C ATOM 483 OE1 GLU A 35 4.883 -0.131 6.859 1.00 0.00 O ATOM 484 OE2 GLU A 35 2.849 -1.030 6.981 1.00 0.00 O ATOM 0 H GLU A 35 2.965 1.810 1.830 1.00 0.00 H new ATOM 0 HA GLU A 35 2.457 -0.939 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.061 1.154 3.881 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.644 1.037 4.905 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.219 -1.633 4.552 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.830 -0.948 4.457 1.00 0.00 H new ATOM 491 N ALA A 36 0.123 0.268 2.166 1.00 0.00 N ATOM 492 CA ALA A 36 -1.296 0.571 2.243 1.00 0.00 C ATOM 493 C ALA A 36 -1.491 1.896 2.983 1.00 0.00 C ATOM 494 O ALA A 36 -1.633 1.913 4.205 1.00 0.00 O ATOM 495 CB ALA A 36 -2.029 -0.588 2.919 1.00 0.00 C ATOM 0 H ALA A 36 0.426 -0.135 1.279 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.719 0.686 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.094 -0.361 2.977 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.883 -1.499 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.633 -0.732 3.924 1.00 0.00 H new ATOM 569 N ASP A 41 -6.713 -0.536 0.821 1.00 0.00 N ATOM 570 CA ASP A 41 -5.605 -0.587 -0.118 1.00 0.00 C ATOM 571 C ASP A 41 -4.643 -1.702 0.297 1.00 0.00 C ATOM 572 O ASP A 41 -4.498 -1.992 1.483 1.00 0.00 O ATOM 573 CB ASP A 41 -4.826 0.730 -0.124 1.00 0.00 C ATOM 574 CG ASP A 41 -5.339 1.779 -1.112 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.554 2.069 -1.056 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.504 2.268 -1.903 1.00 0.00 O ATOM 0 HA ASP A 41 -6.014 -0.769 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.852 1.155 0.880 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.782 0.516 -0.353 1.00 0.00 H new ATOM 581 N LEU A 42 -4.012 -2.298 -0.704 1.00 0.00 N ATOM 582 CA LEU A 42 -3.068 -3.375 -0.458 1.00 0.00 C ATOM 583 C LEU A 42 -1.672 -2.787 -0.254 1.00 0.00 C ATOM 584 O LEU A 42 -1.382 -1.687 -0.723 1.00 0.00 O ATOM 585 CB LEU A 42 -3.140 -4.416 -1.578 1.00 0.00 C ATOM 586 CG LEU A 42 -2.535 -5.785 -1.261 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.431 -6.571 -0.300 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.247 -6.567 -2.543 1.00 0.00 C ATOM 0 H LEU A 42 -4.136 -2.056 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.326 -3.907 0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.186 -4.557 -1.849 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.635 -4.012 -2.455 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.581 -5.628 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.978 -7.540 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.543 -6.014 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.411 -6.719 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.818 -7.536 -2.289 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.175 -6.715 -3.095 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.543 -6.008 -3.160 1.00 0.00 H new ATOM 600 N SER A 43 -0.841 -3.546 0.447 1.00 0.00 N ATOM 601 CA SER A 43 0.518 -3.113 0.720 1.00 0.00 C ATOM 602 C SER A 43 1.510 -3.984 -0.055 1.00 0.00 C ATOM 603 O SER A 43 1.350 -5.201 -0.124 1.00 0.00 O ATOM 604 CB SER A 43 0.824 -3.166 2.218 1.00 0.00 C ATOM 605 OG SER A 43 0.300 -2.037 2.910 1.00 0.00 O ATOM 0 H SER A 43 -1.084 -4.458 0.834 1.00 0.00 H new ATOM 0 HA SER A 43 0.619 -2.078 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 43 0.404 -4.078 2.642 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.903 -3.213 2.366 1.00 0.00 H new ATOM 0 HG SER A 43 0.635 -2.034 3.831 1.00 0.00 H new ATOM 611 N PHE A 44 2.511 -3.325 -0.619 1.00 0.00 N ATOM 612 CA PHE A 44 3.529 -4.024 -1.387 1.00 0.00 C ATOM 613 C PHE A 44 4.882 -3.321 -1.270 1.00 0.00 C ATOM 614 O PHE A 44 5.035 -2.387 -0.485 1.00 0.00 O ATOM 615 CB PHE A 44 3.080 -4.000 -2.850 1.00 0.00 C ATOM 616 CG PHE A 44 2.599 -2.630 -3.332 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.500 -1.709 -3.769 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.273 -2.332 -3.322 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.055 -0.437 -4.217 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.828 -1.060 -3.769 1.00 0.00 C ATOM 621 CZ PHE A 44 1.728 -0.139 -4.207 1.00 0.00 C ATOM 0 H PHE A 44 2.640 -2.315 -0.560 1.00 0.00 H new ATOM 0 HA PHE A 44 3.645 -5.041 -1.013 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.909 -4.324 -3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.276 -4.724 -2.984 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.554 -1.945 -3.775 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.558 -3.063 -2.974 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.770 0.293 -4.566 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.226 -0.824 -3.761 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.389 0.829 -4.547 1.00 0.00 H new ATOM 631 N GLN A 45 5.830 -3.798 -2.063 1.00 0.00 N ATOM 632 CA GLN A 45 7.167 -3.227 -2.058 1.00 0.00 C ATOM 633 C GLN A 45 7.610 -2.901 -3.487 1.00 0.00 C ATOM 634 O GLN A 45 7.077 -3.454 -4.447 1.00 0.00 O ATOM 635 CB GLN A 45 8.163 -4.169 -1.377 1.00 0.00 C ATOM 636 CG GLN A 45 7.993 -4.139 0.143 1.00 0.00 C ATOM 637 CD GLN A 45 8.681 -5.340 0.795 1.00 0.00 C ATOM 638 OE1 GLN A 45 9.873 -5.557 0.654 1.00 0.00 O ATOM 639 NE2 GLN A 45 7.866 -6.105 1.515 1.00 0.00 N ATOM 0 H GLN A 45 5.699 -4.573 -2.713 1.00 0.00 H new ATOM 0 HA GLN A 45 7.143 -2.300 -1.485 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.017 -5.185 -1.743 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.181 -3.879 -1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.412 -3.215 0.541 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.932 -4.142 0.394 1.00 0.00 H new ATOM 0 HE21 GLN A 45 6.877 -5.866 1.592 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.229 -6.931 1.991 1.00 0.00 H new ATOM 648 N LYS A 46 8.581 -2.004 -3.581 1.00 0.00 N ATOM 649 CA LYS A 46 9.101 -1.597 -4.874 1.00 0.00 C ATOM 650 C LYS A 46 9.784 -2.793 -5.544 1.00 0.00 C ATOM 651 O LYS A 46 10.912 -3.141 -5.199 1.00 0.00 O ATOM 652 CB LYS A 46 10.010 -0.375 -4.727 1.00 0.00 C ATOM 653 CG LYS A 46 10.504 0.109 -6.092 1.00 0.00 C ATOM 654 CD LYS A 46 11.968 -0.280 -6.313 1.00 0.00 C ATOM 655 CE LYS A 46 12.438 0.128 -7.711 1.00 0.00 C ATOM 656 NZ LYS A 46 13.689 -0.578 -8.063 1.00 0.00 N ATOM 0 H LYS A 46 9.021 -1.548 -2.782 1.00 0.00 H new ATOM 0 HA LYS A 46 8.288 -1.284 -5.529 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.468 0.428 -4.227 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.863 -0.625 -4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.886 -0.321 -6.880 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.397 1.192 -6.159 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.593 0.200 -5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.085 -1.356 -6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.664 -0.103 -8.443 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.599 1.205 -7.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.994 -0.290 -9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.430 -0.337 -7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.524 -1.605 -8.048 1.00 0.00 H new ATOM 670 N GLY A 47 9.070 -3.388 -6.487 1.00 0.00 N ATOM 671 CA GLY A 47 9.592 -4.537 -7.208 1.00 0.00 C ATOM 672 C GLY A 47 8.655 -5.739 -7.076 1.00 0.00 C ATOM 673 O GLY A 47 8.917 -6.800 -7.642 1.00 0.00 O ATOM 0 H GLY A 47 8.134 -3.097 -6.769 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.718 -4.284 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.578 -4.796 -6.822 1.00 0.00 H new ATOM 677 N ASP A 48 7.582 -5.534 -6.326 1.00 0.00 N ATOM 678 CA ASP A 48 6.605 -6.587 -6.114 1.00 0.00 C ATOM 679 C ASP A 48 5.637 -6.625 -7.297 1.00 0.00 C ATOM 680 O ASP A 48 5.377 -5.600 -7.925 1.00 0.00 O ATOM 681 CB ASP A 48 5.789 -6.333 -4.844 1.00 0.00 C ATOM 682 CG ASP A 48 5.654 -7.538 -3.910 1.00 0.00 C ATOM 683 OD1 ASP A 48 6.617 -7.780 -3.153 1.00 0.00 O ATOM 684 OD2 ASP A 48 4.589 -8.190 -3.978 1.00 0.00 O ATOM 0 H ASP A 48 7.368 -4.653 -5.858 1.00 0.00 H new ATOM 0 HA ASP A 48 7.142 -7.530 -6.016 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.250 -5.514 -4.292 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.791 -6.002 -5.132 1.00 0.00 H new ATOM 689 N GLN A 49 5.129 -7.819 -7.567 1.00 0.00 N ATOM 690 CA GLN A 49 4.196 -8.005 -8.665 1.00 0.00 C ATOM 691 C GLN A 49 2.803 -8.338 -8.126 1.00 0.00 C ATOM 692 O GLN A 49 2.668 -9.112 -7.180 1.00 0.00 O ATOM 693 CB GLN A 49 4.687 -9.090 -9.625 1.00 0.00 C ATOM 694 CG GLN A 49 6.030 -8.704 -10.248 1.00 0.00 C ATOM 695 CD GLN A 49 5.910 -8.568 -11.768 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.298 -9.441 -12.527 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.354 -7.428 -12.166 1.00 0.00 N ATOM 0 H GLN A 49 5.346 -8.667 -7.044 1.00 0.00 H new ATOM 0 HA GLN A 49 4.134 -7.072 -9.226 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.788 -10.035 -9.091 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.949 -9.246 -10.412 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.376 -7.763 -9.821 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.778 -9.458 -10.005 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.051 -6.740 -11.476 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.230 -7.241 -13.161 1.00 0.00 H new ATOM 706 N MET A 50 1.801 -7.738 -8.753 1.00 0.00 N ATOM 707 CA MET A 50 0.424 -7.961 -8.349 1.00 0.00 C ATOM 708 C MET A 50 -0.456 -8.287 -9.558 1.00 0.00 C ATOM 709 O MET A 50 -0.214 -7.793 -10.658 1.00 0.00 O ATOM 710 CB MET A 50 -0.112 -6.712 -7.649 1.00 0.00 C ATOM 711 CG MET A 50 0.809 -6.289 -6.501 1.00 0.00 C ATOM 712 SD MET A 50 0.383 -4.645 -5.951 1.00 0.00 S ATOM 713 CE MET A 50 1.835 -3.754 -6.485 1.00 0.00 C ATOM 0 H MET A 50 1.916 -7.097 -9.538 1.00 0.00 H new ATOM 0 HA MET A 50 0.399 -8.810 -7.665 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.201 -5.898 -8.368 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.113 -6.908 -7.264 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.719 -6.993 -5.674 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.848 -6.314 -6.829 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.751 -2.709 -6.187 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.721 -4.192 -6.025 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.921 -3.816 -7.570 1.00 0.00 H new ATOM 723 N VAL A 51 -1.460 -9.116 -9.313 1.00 0.00 N ATOM 724 CA VAL A 51 -2.377 -9.512 -10.367 1.00 0.00 C ATOM 725 C VAL A 51 -3.596 -8.588 -10.351 1.00 0.00 C ATOM 726 O VAL A 51 -4.555 -8.830 -9.620 1.00 0.00 O ATOM 727 CB VAL A 51 -2.746 -10.989 -10.212 1.00 0.00 C ATOM 728 CG1 VAL A 51 -4.009 -11.326 -11.007 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.581 -11.891 -10.624 1.00 0.00 C ATOM 0 H VAL A 51 -1.658 -9.524 -8.400 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.903 -9.409 -11.343 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.956 -11.173 -9.158 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.249 -12.382 -10.879 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.839 -10.719 -10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.840 -11.118 -12.064 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.869 -12.935 -10.504 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.326 -11.702 -11.667 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.717 -11.679 -9.995 1.00 0.00 H new ATOM 739 N VAL A 52 -3.519 -7.546 -11.167 1.00 0.00 N ATOM 740 CA VAL A 52 -4.604 -6.583 -11.256 1.00 0.00 C ATOM 741 C VAL A 52 -5.880 -7.299 -11.706 1.00 0.00 C ATOM 742 O VAL A 52 -5.951 -7.804 -12.825 1.00 0.00 O ATOM 743 CB VAL A 52 -4.207 -5.431 -12.181 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.444 -4.708 -12.718 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.266 -4.456 -11.471 1.00 0.00 C ATOM 0 H VAL A 52 -2.722 -7.348 -11.772 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.805 -6.143 -10.279 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.671 -5.853 -13.031 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.134 -3.894 -13.373 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.061 -5.410 -13.279 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.020 -4.305 -11.885 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.000 -3.647 -12.151 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.764 -4.043 -10.594 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.363 -4.982 -11.162 1.00 0.00 H new ATOM 755 N LEU A 53 -6.855 -7.321 -10.810 1.00 0.00 N ATOM 756 CA LEU A 53 -8.124 -7.966 -11.100 1.00 0.00 C ATOM 757 C LEU A 53 -9.129 -6.915 -11.577 1.00 0.00 C ATOM 758 O LEU A 53 -9.708 -7.046 -12.654 1.00 0.00 O ATOM 759 CB LEU A 53 -8.604 -8.772 -9.892 1.00 0.00 C ATOM 760 CG LEU A 53 -7.531 -9.572 -9.149 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.014 -9.975 -7.755 1.00 0.00 C ATOM 762 CD2 LEU A 53 -7.081 -10.781 -9.973 1.00 0.00 C ATOM 0 H LEU A 53 -6.792 -6.902 -9.882 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.008 -8.687 -11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.072 -8.086 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.378 -9.463 -10.226 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.659 -8.932 -9.014 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.233 -10.542 -7.249 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.245 -9.080 -7.177 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.909 -10.590 -7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.318 -11.333 -9.423 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.935 -11.432 -10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.668 -10.441 -10.923 1.00 0.00 H new ATOM 774 N GLU A 54 -9.306 -5.894 -10.750 1.00 0.00 N ATOM 775 CA GLU A 54 -10.231 -4.821 -11.072 1.00 0.00 C ATOM 776 C GLU A 54 -9.477 -3.498 -11.226 1.00 0.00 C ATOM 777 O GLU A 54 -8.630 -3.163 -10.400 1.00 0.00 O ATOM 778 CB GLU A 54 -11.328 -4.706 -10.013 1.00 0.00 C ATOM 779 CG GLU A 54 -12.516 -5.609 -10.355 1.00 0.00 C ATOM 780 CD GLU A 54 -13.624 -5.476 -9.307 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.343 -5.815 -8.138 1.00 0.00 O ATOM 782 OE2 GLU A 54 -14.727 -5.037 -9.700 1.00 0.00 O ATOM 0 H GLU A 54 -8.824 -5.788 -9.857 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.712 -5.056 -12.022 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.927 -4.980 -9.037 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.662 -3.671 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.907 -5.346 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.185 -6.646 -10.411 1.00 0.00 H new ATOM 822 N GLU A 58 -7.792 4.843 -11.112 1.00 0.00 N ATOM 823 CA GLU A 58 -6.364 4.871 -10.854 1.00 0.00 C ATOM 824 C GLU A 58 -5.949 3.649 -10.032 1.00 0.00 C ATOM 825 O GLU A 58 -5.072 2.890 -10.440 1.00 0.00 O ATOM 826 CB GLU A 58 -5.957 6.167 -10.151 1.00 0.00 C ATOM 827 CG GLU A 58 -6.326 7.389 -10.996 1.00 0.00 C ATOM 828 CD GLU A 58 -7.575 8.081 -10.444 1.00 0.00 C ATOM 829 OE1 GLU A 58 -7.514 8.509 -9.272 1.00 0.00 O ATOM 830 OE2 GLU A 58 -8.561 8.166 -11.208 1.00 0.00 O ATOM 0 HA GLU A 58 -5.842 4.837 -11.811 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.450 6.229 -9.181 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.883 6.161 -9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.493 8.091 -11.009 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.501 7.083 -12.027 1.00 0.00 H new ATOM 837 N TRP A 59 -6.600 3.496 -8.888 1.00 0.00 N ATOM 838 CA TRP A 59 -6.310 2.379 -8.005 1.00 0.00 C ATOM 839 C TRP A 59 -7.000 1.137 -8.572 1.00 0.00 C ATOM 840 O TRP A 59 -8.161 1.195 -8.970 1.00 0.00 O ATOM 841 CB TRP A 59 -6.731 2.694 -6.568 1.00 0.00 C ATOM 842 CG TRP A 59 -6.247 4.053 -6.061 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.728 5.267 -6.364 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.159 4.291 -5.141 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.033 6.264 -5.711 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.050 5.652 -4.943 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.298 3.385 -4.497 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.090 6.229 -4.103 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.345 3.978 -3.661 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.220 5.347 -3.452 1.00 0.00 C ATOM 0 H TRP A 59 -7.327 4.127 -8.552 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.237 2.191 -7.960 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.819 2.660 -6.503 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.348 1.915 -5.909 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.556 5.443 -7.035 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.209 7.266 -5.779 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.367 2.316 -4.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.024 7.298 -3.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.658 3.326 -3.142 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.456 5.728 -2.791 1.00 0.00 H new ATOM 861 N TRP A 60 -6.254 0.042 -8.590 1.00 0.00 N ATOM 862 CA TRP A 60 -6.780 -1.212 -9.102 1.00 0.00 C ATOM 863 C TRP A 60 -6.669 -2.259 -7.991 1.00 0.00 C ATOM 864 O TRP A 60 -5.810 -2.153 -7.117 1.00 0.00 O ATOM 865 CB TRP A 60 -6.058 -1.626 -10.386 1.00 0.00 C ATOM 866 CG TRP A 60 -5.790 -0.468 -11.350 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.549 0.614 -11.569 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.649 -0.319 -12.219 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.983 1.446 -12.515 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.790 0.860 -12.922 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.532 -1.154 -12.407 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.853 1.312 -13.859 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.605 -0.689 -13.346 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.733 0.496 -14.062 1.00 0.00 C ATOM 0 H TRP A 60 -5.290 -0.003 -8.259 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.829 -1.106 -9.379 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.109 -2.093 -10.123 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.654 -2.381 -10.898 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.486 0.811 -11.069 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.369 2.328 -12.853 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.401 -2.081 -11.869 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.987 2.239 -14.396 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.728 -1.293 -13.527 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.972 0.786 -14.772 1.00 0.00 H new ATOM 885 N LYS A 61 -7.552 -3.245 -8.061 1.00 0.00 N ATOM 886 CA LYS A 61 -7.565 -4.310 -7.073 1.00 0.00 C ATOM 887 C LYS A 61 -6.736 -5.488 -7.589 1.00 0.00 C ATOM 888 O LYS A 61 -7.223 -6.297 -8.376 1.00 0.00 O ATOM 889 CB LYS A 61 -9.002 -4.683 -6.706 1.00 0.00 C ATOM 890 CG LYS A 61 -9.029 -5.782 -5.642 1.00 0.00 C ATOM 891 CD LYS A 61 -10.021 -6.885 -6.017 1.00 0.00 C ATOM 892 CE LYS A 61 -10.728 -7.432 -4.776 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.181 -7.558 -5.020 1.00 0.00 N ATOM 0 H LYS A 61 -8.264 -3.328 -8.787 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.101 -3.975 -6.145 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.527 -3.802 -6.337 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.532 -5.021 -7.596 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.032 -6.208 -5.529 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.304 -5.353 -4.678 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.759 -6.493 -6.717 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.496 -7.693 -6.527 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.312 -8.404 -4.512 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.552 -6.770 -3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.645 -7.931 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.577 -6.624 -5.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.344 -8.208 -5.815 1.00 0.00 H new ATOM 907 N ALA A 62 -5.497 -5.549 -7.122 1.00 0.00 N ATOM 908 CA ALA A 62 -4.596 -6.614 -7.525 1.00 0.00 C ATOM 909 C ALA A 62 -4.225 -7.454 -6.301 1.00 0.00 C ATOM 910 O ALA A 62 -4.397 -7.013 -5.166 1.00 0.00 O ATOM 911 CB ALA A 62 -3.369 -6.013 -8.213 1.00 0.00 C ATOM 0 H ALA A 62 -5.096 -4.877 -6.468 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.081 -7.275 -8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.693 -6.813 -8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.684 -5.452 -9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.855 -5.345 -7.522 1.00 0.00 H new ATOM 917 N ARG A 63 -3.723 -8.650 -6.573 1.00 0.00 N ATOM 918 CA ARG A 63 -3.327 -9.555 -5.509 1.00 0.00 C ATOM 919 C ARG A 63 -1.804 -9.692 -5.468 1.00 0.00 C ATOM 920 O ARG A 63 -1.182 -10.044 -6.470 1.00 0.00 O ATOM 921 CB ARG A 63 -3.952 -10.939 -5.700 1.00 0.00 C ATOM 922 CG ARG A 63 -3.153 -12.010 -4.956 1.00 0.00 C ATOM 923 CD ARG A 63 -2.306 -12.836 -5.927 1.00 0.00 C ATOM 924 NE ARG A 63 -3.185 -13.569 -6.865 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.738 -14.391 -7.824 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.422 -14.590 -7.977 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.608 -15.014 -8.631 1.00 0.00 N ATOM 0 H ARG A 63 -3.582 -9.013 -7.516 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.683 -9.135 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.980 -10.931 -5.338 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.990 -11.181 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.507 -11.538 -4.215 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.834 -12.666 -4.414 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.632 -12.183 -6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.684 -13.539 -5.373 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.193 -13.441 -6.776 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.760 -14.116 -7.363 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.082 -15.216 -8.707 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.610 -14.862 -8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.268 -15.640 -9.361 1.00 0.00 H new ATOM 941 N SER A 64 -1.247 -9.409 -4.300 1.00 0.00 N ATOM 942 CA SER A 64 0.192 -9.497 -4.116 1.00 0.00 C ATOM 943 C SER A 64 0.673 -10.916 -4.426 1.00 0.00 C ATOM 944 O SER A 64 0.072 -11.891 -3.977 1.00 0.00 O ATOM 945 CB SER A 64 0.590 -9.100 -2.694 1.00 0.00 C ATOM 946 OG SER A 64 1.690 -8.194 -2.680 1.00 0.00 O ATOM 0 H SER A 64 -1.766 -9.119 -3.471 1.00 0.00 H new ATOM 0 HA SER A 64 0.669 -8.800 -4.805 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.263 -8.642 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.850 -9.994 -2.127 1.00 0.00 H new ATOM 0 HG SER A 64 2.430 -8.570 -3.201 1.00 0.00 H new ATOM 952 N LEU A 65 1.753 -10.987 -5.190 1.00 0.00 N ATOM 953 CA LEU A 65 2.323 -12.270 -5.566 1.00 0.00 C ATOM 954 C LEU A 65 3.357 -12.689 -4.520 1.00 0.00 C ATOM 955 O LEU A 65 4.242 -13.494 -4.804 1.00 0.00 O ATOM 956 CB LEU A 65 2.876 -12.214 -6.991 1.00 0.00 C ATOM 957 CG LEU A 65 1.870 -12.478 -8.113 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.760 -11.425 -8.112 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.572 -12.570 -9.469 1.00 0.00 C ATOM 0 H LEU A 65 2.249 -10.176 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 65 1.552 -13.041 -5.579 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.317 -11.230 -7.150 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.683 -12.942 -7.075 1.00 0.00 H new ATOM 0 HG LEU A 65 1.399 -13.443 -7.929 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.058 -11.635 -8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.234 -11.452 -7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.196 -10.437 -8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.834 -12.758 -10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.088 -11.632 -9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.295 -13.385 -9.450 1.00 0.00 H new ATOM 971 N ALA A 66 3.210 -12.125 -3.330 1.00 0.00 N ATOM 972 CA ALA A 66 4.121 -12.430 -2.239 1.00 0.00 C ATOM 973 C ALA A 66 3.332 -13.036 -1.076 1.00 0.00 C ATOM 974 O ALA A 66 3.815 -13.945 -0.401 1.00 0.00 O ATOM 975 CB ALA A 66 4.876 -11.163 -1.835 1.00 0.00 C ATOM 0 H ALA A 66 2.474 -11.459 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 66 4.863 -13.165 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.559 -11.392 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.443 -10.790 -2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.165 -10.403 -1.512 1.00 0.00 H new ATOM 981 N THR A 67 2.133 -12.510 -0.878 1.00 0.00 N ATOM 982 CA THR A 67 1.273 -12.987 0.191 1.00 0.00 C ATOM 983 C THR A 67 -0.076 -13.439 -0.371 1.00 0.00 C ATOM 984 O THR A 67 -0.937 -13.907 0.373 1.00 0.00 O ATOM 985 CB THR A 67 1.155 -11.876 1.235 1.00 0.00 C ATOM 986 OG1 THR A 67 0.362 -10.880 0.594 1.00 0.00 O ATOM 987 CG2 THR A 67 2.490 -11.175 1.498 1.00 0.00 C ATOM 0 H THR A 67 1.736 -11.757 -1.440 1.00 0.00 H new ATOM 0 HA THR A 67 1.697 -13.865 0.677 1.00 0.00 H new ATOM 0 HB THR A 67 0.774 -12.293 2.167 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.733 -9.993 0.786 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.350 -10.395 2.247 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.217 -11.901 1.862 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.855 -10.729 0.573 1.00 0.00 H new ATOM 995 N ARG A 68 -0.219 -13.282 -1.678 1.00 0.00 N ATOM 996 CA ARG A 68 -1.449 -13.668 -2.350 1.00 0.00 C ATOM 997 C ARG A 68 -2.626 -12.853 -1.809 1.00 0.00 C ATOM 998 O ARG A 68 -3.783 -13.224 -2.000 1.00 0.00 O ATOM 999 CB ARG A 68 -1.738 -15.158 -2.156 1.00 0.00 C ATOM 1000 CG ARG A 68 -0.549 -16.009 -2.605 1.00 0.00 C ATOM 1001 CD ARG A 68 -0.372 -17.226 -1.694 1.00 0.00 C ATOM 1002 NE ARG A 68 0.793 -17.027 -0.803 1.00 0.00 N ATOM 1003 CZ ARG A 68 1.451 -18.021 -0.193 1.00 0.00 C ATOM 1004 NH1 ARG A 68 1.063 -19.291 -0.374 1.00 0.00 N ATOM 1005 NH2 ARG A 68 2.497 -17.747 0.597 1.00 0.00 N ATOM 0 H ARG A 68 0.497 -12.892 -2.291 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.323 -13.470 -3.414 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.956 -15.356 -1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.625 -15.437 -2.724 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.700 -16.338 -3.633 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.359 -15.406 -2.594 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.273 -17.380 -1.100 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.231 -18.124 -2.296 1.00 0.00 H new ATOM 0 HE ARG A 68 1.115 -16.072 -0.644 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.267 -19.500 -0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.564 -20.048 0.090 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.793 -16.781 0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 68 2.998 -18.505 1.061 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.290 -11.756 -1.145 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.304 -10.885 -0.576 1.00 0.00 C ATOM 1021 C LYS A 69 -4.131 -10.266 -1.705 1.00 0.00 C ATOM 1022 O LYS A 69 -3.857 -10.503 -2.880 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.663 -9.853 0.354 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.238 -10.495 1.676 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.301 -9.573 2.458 1.00 0.00 C ATOM 1026 CE LYS A 69 -2.032 -8.917 3.632 1.00 0.00 C ATOM 1027 NZ LYS A 69 -1.073 -8.199 4.503 1.00 0.00 N ATOM 0 H LYS A 69 -1.329 -11.451 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.992 -11.457 0.046 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.796 -9.408 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.369 -9.045 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.120 -10.717 2.277 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.739 -11.444 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.449 -10.143 2.828 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.906 -8.803 1.795 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.783 -8.222 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.560 -9.676 4.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.585 -7.760 5.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.371 -8.871 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.589 -7.462 3.952 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.125 -9.486 -1.307 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.994 -8.832 -2.271 1.00 0.00 C ATOM 1043 C GLU A 70 -6.466 -7.481 -1.729 1.00 0.00 C ATOM 1044 O GLU A 70 -7.078 -7.416 -0.665 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.182 -9.724 -2.632 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.813 -10.708 -3.744 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.872 -11.803 -3.882 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -8.354 -12.263 -2.824 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -8.176 -12.155 -5.042 1.00 0.00 O ATOM 0 H GLU A 70 -5.348 -9.292 -0.331 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.425 -8.656 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.510 -10.274 -1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.021 -9.106 -2.952 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.712 -10.173 -4.689 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.844 -11.159 -3.528 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.162 -6.437 -2.486 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.549 -5.092 -2.093 1.00 0.00 C ATOM 1058 C GLY A 71 -6.190 -4.080 -3.184 1.00 0.00 C ATOM 1059 O GLY A 71 -5.356 -4.357 -4.043 1.00 0.00 O ATOM 0 H GLY A 71 -5.653 -6.495 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.621 -5.060 -1.900 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.049 -4.823 -1.163 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.839 -2.927 -3.112 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.600 -1.872 -4.082 1.00 0.00 C ATOM 1065 C TYR A 72 -5.175 -1.327 -3.958 1.00 0.00 C ATOM 1066 O TYR A 72 -4.645 -1.207 -2.855 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.590 -0.755 -3.744 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.053 -1.124 -3.999 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.420 -1.708 -5.194 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.007 -0.873 -3.034 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.796 -2.055 -5.435 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.384 -1.219 -3.273 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.710 -1.794 -4.462 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.011 -2.122 -4.689 1.00 0.00 O ATOM 0 H TYR A 72 -7.530 -2.700 -2.397 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.725 -2.249 -5.097 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.472 -0.483 -2.695 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.341 0.128 -4.332 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.674 -1.905 -5.950 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.720 -0.416 -2.098 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.096 -2.512 -6.367 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.140 -1.027 -2.526 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.551 -1.879 -3.908 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.595 -1.011 -5.108 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.242 -0.482 -5.141 1.00 0.00 C ATOM 1086 C ILE A 73 -3.180 0.685 -6.129 1.00 0.00 C ATOM 1087 O ILE A 73 -3.952 0.736 -7.086 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.238 -1.596 -5.445 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.621 -2.347 -6.722 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.089 -2.539 -4.249 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.521 -2.228 -7.778 1.00 0.00 C ATOM 0 H ILE A 73 -5.037 -1.111 -6.022 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.963 -0.090 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.264 -1.140 -5.620 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.797 -3.398 -6.491 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.555 -1.947 -7.117 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.370 -3.322 -4.490 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.737 -1.977 -3.384 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.054 -2.991 -4.019 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.818 -2.770 -8.676 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.365 -1.178 -8.024 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.595 -2.651 -7.388 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.231 1.620 -5.855 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.059 2.784 -6.707 1.00 0.00 C ATOM 1105 C PRO A 74 -1.360 2.408 -8.014 1.00 0.00 C ATOM 1106 O PRO A 74 -0.307 1.773 -7.999 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.262 3.771 -5.870 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.619 2.953 -4.761 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.300 1.593 -4.730 1.00 0.00 C ATOM 0 HA PRO A 74 -3.008 3.221 -7.018 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.506 4.274 -6.473 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.909 4.546 -5.459 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.450 2.841 -4.940 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.730 3.457 -3.801 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.576 0.785 -4.834 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.823 1.433 -3.787 1.00 0.00 H new ATOM 1117 N SER A 75 -1.975 2.815 -9.115 1.00 0.00 N ATOM 1118 CA SER A 75 -1.425 2.529 -10.430 1.00 0.00 C ATOM 1119 C SER A 75 -0.195 3.402 -10.684 1.00 0.00 C ATOM 1120 O SER A 75 0.683 3.033 -11.463 1.00 0.00 O ATOM 1121 CB SER A 75 -2.470 2.751 -11.525 1.00 0.00 C ATOM 1122 OG SER A 75 -1.870 3.062 -12.779 1.00 0.00 O ATOM 0 H SER A 75 -2.849 3.341 -9.124 1.00 0.00 H new ATOM 0 HA SER A 75 -1.129 1.480 -10.456 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.083 1.856 -11.628 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.137 3.562 -11.231 1.00 0.00 H new ATOM 0 HG SER A 75 -2.181 2.427 -13.457 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.171 4.544 -10.013 1.00 0.00 N ATOM 1129 CA ASN A 76 0.937 5.474 -10.157 1.00 0.00 C ATOM 1130 C ASN A 76 2.154 4.930 -9.403 1.00 0.00 C ATOM 1131 O ASN A 76 3.218 5.546 -9.410 1.00 0.00 O ATOM 1132 CB ASN A 76 0.588 6.841 -9.568 1.00 0.00 C ATOM 1133 CG ASN A 76 0.762 6.845 -8.048 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.729 5.818 -7.391 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.949 8.054 -7.527 1.00 0.00 N ATOM 0 H ASN A 76 -0.901 4.847 -9.368 1.00 0.00 H new ATOM 0 HA ASN A 76 1.150 5.584 -11.220 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.225 7.606 -10.012 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.441 7.097 -9.820 1.00 0.00 H new ATOM 0 HD21 ASN A 76 1.076 8.162 -6.521 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.966 8.874 -8.134 1.00 0.00 H new ATOM 1142 N TYR A 77 1.954 3.783 -8.772 1.00 0.00 N ATOM 1143 CA TYR A 77 3.021 3.151 -8.015 1.00 0.00 C ATOM 1144 C TYR A 77 3.350 1.768 -8.582 1.00 0.00 C ATOM 1145 O TYR A 77 4.015 0.966 -7.926 1.00 0.00 O ATOM 1146 CB TYR A 77 2.490 2.991 -6.589 1.00 0.00 C ATOM 1147 CG TYR A 77 3.134 3.938 -5.575 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.212 5.289 -5.845 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.638 3.442 -4.390 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.818 6.181 -4.890 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.245 4.333 -3.436 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.305 5.659 -3.733 1.00 0.00 C ATOM 1153 OH TYR A 77 4.877 6.500 -2.832 1.00 0.00 O ATOM 0 H TYR A 77 1.070 3.275 -8.769 1.00 0.00 H new ATOM 0 HA TYR A 77 3.929 3.752 -8.057 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.413 3.157 -6.593 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.653 1.963 -6.265 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.819 5.678 -6.773 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.577 2.385 -4.178 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.884 7.241 -5.089 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.644 3.957 -2.505 1.00 0.00 H new ATOM 0 HH TYR A 77 4.507 7.400 -2.944 1.00 0.00 H new ATOM 1163 N VAL A 78 2.869 1.530 -9.794 1.00 0.00 N ATOM 1164 CA VAL A 78 3.104 0.259 -10.456 1.00 0.00 C ATOM 1165 C VAL A 78 3.376 0.505 -11.942 1.00 0.00 C ATOM 1166 O VAL A 78 3.139 1.602 -12.446 1.00 0.00 O ATOM 1167 CB VAL A 78 1.924 -0.683 -10.211 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.598 -0.780 -8.720 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.697 -0.245 -11.014 1.00 0.00 C ATOM 0 H VAL A 78 2.318 2.197 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 78 3.985 -0.231 -10.042 1.00 0.00 H new ATOM 0 HB VAL A 78 2.212 -1.676 -10.555 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.755 -1.456 -8.575 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.466 -1.161 -8.182 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.340 0.208 -8.339 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.128 -0.931 -10.822 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.408 0.763 -10.716 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.936 -0.254 -12.077 1.00 0.00 H new ATOM 1179 N ALA A 79 3.868 -0.534 -12.600 1.00 0.00 N ATOM 1180 CA ALA A 79 4.174 -0.444 -14.018 1.00 0.00 C ATOM 1181 C ALA A 79 4.037 -1.830 -14.653 1.00 0.00 C ATOM 1182 O ALA A 79 4.846 -2.718 -14.391 1.00 0.00 O ATOM 1183 CB ALA A 79 5.573 0.146 -14.202 1.00 0.00 C ATOM 0 H ALA A 79 4.062 -1.442 -12.178 1.00 0.00 H new ATOM 0 HA ALA A 79 3.472 0.221 -14.521 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.802 0.213 -15.265 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.609 1.141 -13.759 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.306 -0.496 -13.713 1.00 0.00 H new ATOM 1189 N ARG A 80 3.008 -1.969 -15.477 1.00 0.00 N ATOM 1190 CA ARG A 80 2.756 -3.230 -16.151 1.00 0.00 C ATOM 1191 C ARG A 80 4.075 -3.890 -16.555 1.00 0.00 C ATOM 1192 O ARG A 80 4.991 -3.217 -17.027 1.00 0.00 O ATOM 1193 CB ARG A 80 1.893 -3.025 -17.398 1.00 0.00 C ATOM 1194 CG ARG A 80 0.422 -3.324 -17.103 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.240 -4.037 -18.282 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.351 -3.214 -18.813 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.048 -3.515 -19.917 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.755 -4.621 -20.614 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.039 -2.709 -20.324 1.00 0.00 N ATOM 0 H ARG A 80 2.340 -1.229 -15.692 1.00 0.00 H new ATOM 0 HA ARG A 80 2.221 -3.876 -15.455 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.995 -1.999 -17.751 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.246 -3.674 -18.199 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.345 -3.943 -16.209 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.107 -2.394 -16.893 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.495 -4.220 -19.066 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.616 -5.009 -17.965 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.601 -2.365 -18.306 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.001 -5.234 -20.304 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.286 -4.850 -21.454 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.262 -1.867 -19.793 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.570 -2.938 -21.164 1.00 0.00 H new ATOM 1213 N VAL A 81 4.132 -5.198 -16.356 1.00 0.00 N ATOM 1214 CA VAL A 81 5.324 -5.956 -16.694 1.00 0.00 C ATOM 1215 C VAL A 81 5.609 -5.812 -18.191 1.00 0.00 C ATOM 1216 O VAL A 81 6.765 -5.820 -18.611 1.00 0.00 O ATOM 1217 CB VAL A 81 5.161 -7.413 -16.255 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.748 -8.298 -17.433 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.441 -7.935 -15.600 1.00 0.00 C ATOM 0 H VAL A 81 3.371 -5.753 -15.964 1.00 0.00 H new ATOM 0 HA VAL A 81 6.189 -5.564 -16.159 1.00 0.00 H new ATOM 0 HB VAL A 81 4.365 -7.451 -15.512 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.639 -9.328 -17.094 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.798 -7.947 -17.837 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.512 -8.251 -18.209 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.298 -8.972 -15.297 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.264 -7.875 -16.312 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.674 -7.330 -14.724 1.00 0.00 H new ATOM 1229 N ASP A 82 4.534 -5.683 -18.955 1.00 0.00 N ATOM 1230 CA ASP A 82 4.653 -5.536 -20.396 1.00 0.00 C ATOM 1231 C ASP A 82 4.829 -4.055 -20.740 1.00 0.00 C ATOM 1232 O ASP A 82 4.725 -3.669 -21.903 1.00 0.00 O ATOM 1233 CB ASP A 82 3.397 -6.042 -21.107 1.00 0.00 C ATOM 1234 CG ASP A 82 3.648 -6.746 -22.441 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.673 -6.414 -23.074 1.00 0.00 O ATOM 1236 OD2 ASP A 82 2.809 -7.601 -22.798 1.00 0.00 O ATOM 0 H ASP A 82 3.577 -5.677 -18.603 1.00 0.00 H new ATOM 0 HA ASP A 82 5.512 -6.120 -20.725 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.874 -6.730 -20.443 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.730 -5.197 -21.279 1.00 0.00 H new ATOM 1241 N SER A 83 5.090 -3.268 -19.708 1.00 0.00 N ATOM 1242 CA SER A 83 5.281 -1.838 -19.887 1.00 0.00 C ATOM 1243 C SER A 83 6.679 -1.433 -19.417 1.00 0.00 C ATOM 1244 O SER A 83 6.889 -0.301 -18.985 1.00 0.00 O ATOM 1245 CB SER A 83 4.215 -1.041 -19.132 1.00 0.00 C ATOM 1246 OG SER A 83 4.210 0.334 -19.507 1.00 0.00 O ATOM 0 H SER A 83 5.174 -3.592 -18.745 1.00 0.00 H new ATOM 0 HA SER A 83 5.182 -1.610 -20.948 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.234 -1.473 -19.327 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.392 -1.124 -18.060 1.00 0.00 H new ATOM 0 HG SER A 83 5.121 0.692 -19.451 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.511 11.053 -5.169 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.705 11.506 -6.290 1.00 0.00 C ATOM 1380 C PRO B 124 -4.344 10.806 -6.305 1.00 0.00 C ATOM 1381 O PRO B 124 -3.309 11.456 -6.443 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.597 13.012 -6.115 1.00 0.00 C ATOM 1383 CG PRO B 124 -5.948 13.288 -4.662 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.590 12.035 -4.091 1.00 0.00 C ATOM 0 HA PRO B 124 -6.151 11.262 -7.254 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.591 13.361 -6.347 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.278 13.533 -6.787 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.054 13.550 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.631 14.134 -4.589 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.062 11.690 -3.202 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.624 12.218 -3.797 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.390 9.490 -6.160 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.174 8.695 -6.155 1.00 0.00 C ATOM 1394 C LEU B 125 -2.253 9.187 -5.036 1.00 0.00 C ATOM 1395 O LEU B 125 -2.362 10.331 -4.596 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.521 8.706 -7.538 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.067 7.692 -8.545 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.598 8.020 -9.964 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.704 6.262 -8.137 1.00 0.00 C ATOM 0 H LEU B 125 -5.250 8.954 -6.045 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.403 7.650 -5.944 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.630 9.704 -7.962 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.453 8.527 -7.415 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.155 7.761 -8.542 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.000 7.284 -10.660 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -2.950 9.013 -10.243 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.509 7.997 -10.002 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.104 5.562 -8.870 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.620 6.160 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.129 6.044 -7.157 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.342 8.277 -4.597 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.403 8.607 -3.540 1.00 0.00 C ATOM 1413 C PRO B 126 0.709 9.519 -4.058 1.00 0.00 C ATOM 1414 O PRO B 126 0.914 9.629 -5.267 1.00 0.00 O ATOM 1415 CB PRO B 126 0.112 7.267 -3.039 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.200 6.264 -4.137 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.185 6.914 -5.096 1.00 0.00 C ATOM 0 HA PRO B 126 -0.864 9.170 -2.729 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.183 7.309 -2.842 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.374 6.987 -2.104 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.711 5.977 -4.662 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.624 5.354 -3.713 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.806 6.907 -6.118 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.137 6.384 -5.106 1.00 0.00 H new ATOM 1425 N PRO B 127 1.417 10.168 -3.095 1.00 0.00 N ATOM 1426 CA PRO B 127 2.504 11.068 -3.444 1.00 0.00 C ATOM 1427 C PRO B 127 3.745 10.286 -3.878 1.00 0.00 C ATOM 1428 O PRO B 127 4.410 9.661 -3.053 1.00 0.00 O ATOM 1429 CB PRO B 127 2.736 11.905 -2.196 1.00 0.00 C ATOM 1430 CG PRO B 127 2.094 11.136 -1.053 1.00 0.00 C ATOM 1431 CD PRO B 127 1.203 10.062 -1.656 1.00 0.00 C ATOM 0 HA PRO B 127 2.267 11.704 -4.297 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.801 12.053 -2.017 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.290 12.894 -2.301 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.858 10.686 -0.419 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.510 11.806 -0.422 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.472 9.072 -1.288 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.157 10.225 -1.398 1.00 0.00 H new ATOM 1439 N LEU B 128 4.019 10.346 -5.173 1.00 0.00 N ATOM 1440 CA LEU B 128 5.169 9.651 -5.728 1.00 0.00 C ATOM 1441 C LEU B 128 6.406 9.969 -4.886 1.00 0.00 C ATOM 1442 O LEU B 128 6.695 11.133 -4.615 1.00 0.00 O ATOM 1443 CB LEU B 128 5.332 9.986 -7.212 1.00 0.00 C ATOM 1444 CG LEU B 128 4.495 9.151 -8.183 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.855 9.477 -9.635 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.631 7.658 -7.881 1.00 0.00 C ATOM 0 H LEU B 128 3.465 10.865 -5.854 1.00 0.00 H new ATOM 0 HA LEU B 128 5.021 8.572 -5.683 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.080 11.037 -7.357 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.383 9.871 -7.477 1.00 0.00 H new ATOM 0 HG LEU B 128 3.446 9.413 -8.043 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.246 8.870 -10.306 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.666 10.533 -9.828 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.909 9.260 -9.806 1.00 0.00 H new ATOM 0 HD21 LEU B 128 4.026 7.088 -8.586 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.675 7.361 -7.976 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.289 7.460 -6.865 1.00 0.00 H new ATOM 1458 N PRO B 129 7.122 8.885 -4.485 1.00 0.00 N ATOM 1459 CA PRO B 129 8.323 9.036 -3.679 1.00 0.00 C ATOM 1460 C PRO B 129 9.492 9.539 -4.527 1.00 0.00 C ATOM 1461 O PRO B 129 10.407 10.178 -4.011 1.00 0.00 O ATOM 1462 CB PRO B 129 8.570 7.662 -3.080 1.00 0.00 C ATOM 1463 CG PRO B 129 7.778 6.686 -3.934 1.00 0.00 C ATOM 1464 CD PRO B 129 6.810 7.490 -4.786 1.00 0.00 C ATOM 0 HA PRO B 129 8.212 9.783 -2.893 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.632 7.417 -3.090 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.244 7.625 -2.041 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.447 6.101 -4.565 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.236 5.980 -3.304 1.00 0.00 H new ATOM 0 HD2 PRO B 129 6.942 7.274 -5.846 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.775 7.254 -4.539 1.00 0.00 H new