USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=11 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 130:sc= 0.595 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0067 X(o=-0.0067,f=-0.28) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.86) USER MOD Single : A 50 MET CE :methyl -174:sc= -0.0948 (180deg=-0.113) USER MOD Single : A 61 LYS NZ :NH3+ -157:sc= -1.88! (180deg=-2.16!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -140:sc= -1.19 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 134:sc= 0.118! USER MOD Single : A 76 ASN : amide:sc= -8.31! C(o=-8.3!,f=-16!) USER MOD Single : A 77 TYR OH : rot 26:sc= 0.511 USER MOD Single : A 83 SER OG : rot -49:sc= 0.403 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.449 -8.823 -15.417 1.00 0.00 N ATOM 324 CA ILE A 26 -2.691 -7.590 -15.540 1.00 0.00 C ATOM 325 C ILE A 26 -1.633 -7.534 -14.437 1.00 0.00 C ATOM 326 O ILE A 26 -1.943 -7.217 -13.290 1.00 0.00 O ATOM 327 CB ILE A 26 -3.631 -6.383 -15.552 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.493 -6.372 -16.815 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.852 -5.079 -15.378 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.650 -6.053 -18.052 1.00 0.00 C ATOM 0 HA ILE A 26 -2.161 -7.562 -16.492 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.307 -6.469 -14.702 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.975 -7.342 -16.939 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.287 -5.633 -16.711 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.544 -4.237 -15.390 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.320 -5.097 -14.427 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.136 -4.972 -16.193 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.287 -6.052 -18.936 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.189 -5.072 -17.935 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.872 -6.808 -18.167 1.00 0.00 H new ATOM 342 N ILE A 27 -0.405 -7.848 -14.823 1.00 0.00 N ATOM 343 CA ILE A 27 0.702 -7.838 -13.881 1.00 0.00 C ATOM 344 C ILE A 27 1.370 -6.462 -13.900 1.00 0.00 C ATOM 345 O ILE A 27 1.705 -5.946 -14.965 1.00 0.00 O ATOM 346 CB ILE A 27 1.663 -8.993 -14.170 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.896 -10.283 -14.466 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.665 -9.171 -13.028 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.327 -10.891 -13.182 1.00 0.00 C ATOM 0 H ILE A 27 -0.152 -8.111 -15.775 1.00 0.00 H new ATOM 0 HA ILE A 27 0.340 -8.003 -12.866 1.00 0.00 H new ATOM 0 HB ILE A 27 2.235 -8.746 -15.064 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.085 -10.076 -15.165 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.558 -11.001 -14.950 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.336 -9.998 -13.259 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.245 -8.256 -12.907 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.129 -9.386 -12.104 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.213 -11.807 -13.421 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.142 -11.120 -12.495 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.354 -10.180 -12.713 1.00 0.00 H new ATOM 361 N VAL A 28 1.543 -5.907 -12.710 1.00 0.00 N ATOM 362 CA VAL A 28 2.165 -4.601 -12.577 1.00 0.00 C ATOM 363 C VAL A 28 3.169 -4.634 -11.423 1.00 0.00 C ATOM 364 O VAL A 28 2.832 -5.045 -10.313 1.00 0.00 O ATOM 365 CB VAL A 28 1.091 -3.524 -12.405 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.162 -3.478 -13.619 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.297 -3.743 -11.115 1.00 0.00 C ATOM 0 H VAL A 28 1.263 -6.338 -11.829 1.00 0.00 H new ATOM 0 HA VAL A 28 2.718 -4.348 -13.482 1.00 0.00 H new ATOM 0 HB VAL A 28 1.593 -2.559 -12.330 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.592 -2.705 -13.471 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.743 -3.252 -14.513 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.328 -4.444 -13.739 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.459 -2.964 -11.017 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.188 -4.718 -11.148 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.973 -3.702 -10.261 1.00 0.00 H new ATOM 377 N VAL A 29 4.383 -4.195 -11.724 1.00 0.00 N ATOM 378 CA VAL A 29 5.438 -4.170 -10.726 1.00 0.00 C ATOM 379 C VAL A 29 5.376 -2.848 -9.958 1.00 0.00 C ATOM 380 O VAL A 29 5.201 -1.787 -10.556 1.00 0.00 O ATOM 381 CB VAL A 29 6.794 -4.412 -11.391 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.315 -3.135 -12.054 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.808 -4.961 -10.386 1.00 0.00 C ATOM 0 H VAL A 29 4.659 -3.854 -12.645 1.00 0.00 H new ATOM 0 HA VAL A 29 5.298 -4.973 -10.003 1.00 0.00 H new ATOM 0 HB VAL A 29 6.656 -5.162 -12.170 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.280 -3.334 -12.519 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.607 -2.805 -12.814 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.429 -2.355 -11.301 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.763 -5.124 -10.885 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.940 -4.245 -9.575 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.444 -5.905 -9.981 1.00 0.00 H new ATOM 393 N ALA A 30 5.524 -2.954 -8.646 1.00 0.00 N ATOM 394 CA ALA A 30 5.487 -1.780 -7.791 1.00 0.00 C ATOM 395 C ALA A 30 6.712 -0.909 -8.075 1.00 0.00 C ATOM 396 O ALA A 30 7.846 -1.344 -7.883 1.00 0.00 O ATOM 397 CB ALA A 30 5.410 -2.216 -6.326 1.00 0.00 C ATOM 0 H ALA A 30 5.670 -3.835 -8.154 1.00 0.00 H new ATOM 0 HA ALA A 30 4.600 -1.182 -8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.382 -1.335 -5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.508 -2.807 -6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.285 -2.817 -6.079 1.00 0.00 H new ATOM 403 N LEU A 31 6.442 0.307 -8.529 1.00 0.00 N ATOM 404 CA LEU A 31 7.508 1.243 -8.841 1.00 0.00 C ATOM 405 C LEU A 31 8.129 1.756 -7.540 1.00 0.00 C ATOM 406 O LEU A 31 9.330 2.013 -7.481 1.00 0.00 O ATOM 407 CB LEU A 31 6.993 2.355 -9.757 1.00 0.00 C ATOM 408 CG LEU A 31 6.655 1.941 -11.190 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.391 3.167 -12.067 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.749 1.044 -11.774 1.00 0.00 C ATOM 0 H LEU A 31 5.500 0.665 -8.688 1.00 0.00 H new ATOM 0 HA LEU A 31 8.301 0.744 -9.398 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.100 2.787 -9.305 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.744 3.144 -9.795 1.00 0.00 H new ATOM 0 HG LEU A 31 5.736 1.356 -11.169 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.153 2.845 -13.081 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.553 3.732 -11.660 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.279 3.799 -12.086 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.484 0.764 -12.794 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.696 1.583 -11.780 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.847 0.146 -11.165 1.00 0.00 H new ATOM 422 N TYR A 32 7.282 1.887 -6.530 1.00 0.00 N ATOM 423 CA TYR A 32 7.733 2.364 -5.233 1.00 0.00 C ATOM 424 C TYR A 32 7.103 1.551 -4.100 1.00 0.00 C ATOM 425 O TYR A 32 6.097 0.873 -4.304 1.00 0.00 O ATOM 426 CB TYR A 32 7.257 3.815 -5.129 1.00 0.00 C ATOM 427 CG TYR A 32 7.341 4.593 -6.443 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.520 5.216 -6.802 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.240 4.673 -7.270 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.600 5.949 -8.038 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.319 5.406 -8.508 1.00 0.00 C ATOM 432 CZ TYR A 32 7.496 6.008 -8.830 1.00 0.00 C ATOM 433 OH TYR A 32 7.571 6.700 -9.999 1.00 0.00 O ATOM 0 H TYR A 32 6.286 1.671 -6.583 1.00 0.00 H new ATOM 0 HA TYR A 32 8.815 2.271 -5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.225 3.824 -4.779 1.00 0.00 H new ATOM 0 HB3 TYR A 32 7.854 4.329 -4.375 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.382 5.153 -6.155 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.318 4.186 -6.989 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.516 6.441 -8.330 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.464 5.476 -9.165 1.00 0.00 H new ATOM 0 HH TYR A 32 6.708 6.656 -10.461 1.00 0.00 H new ATOM 443 N ASP A 33 7.721 1.645 -2.932 1.00 0.00 N ATOM 444 CA ASP A 33 7.234 0.927 -1.767 1.00 0.00 C ATOM 445 C ASP A 33 5.903 1.533 -1.319 1.00 0.00 C ATOM 446 O ASP A 33 5.724 2.749 -1.364 1.00 0.00 O ATOM 447 CB ASP A 33 8.218 1.035 -0.602 1.00 0.00 C ATOM 448 CG ASP A 33 8.567 2.464 -0.180 1.00 0.00 C ATOM 449 OD1 ASP A 33 9.505 3.023 -0.788 1.00 0.00 O ATOM 450 OD2 ASP A 33 7.887 2.965 0.742 1.00 0.00 O ATOM 0 H ASP A 33 8.555 2.208 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 33 7.115 -0.121 -2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.800 0.511 0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.138 0.518 -0.874 1.00 0.00 H new ATOM 455 N TYR A 34 5.002 0.658 -0.899 1.00 0.00 N ATOM 456 CA TYR A 34 3.692 1.091 -0.444 1.00 0.00 C ATOM 457 C TYR A 34 3.227 0.265 0.757 1.00 0.00 C ATOM 458 O TYR A 34 3.223 -0.964 0.705 1.00 0.00 O ATOM 459 CB TYR A 34 2.737 0.849 -1.615 1.00 0.00 C ATOM 460 CG TYR A 34 1.331 1.412 -1.397 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.100 2.765 -1.543 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.295 0.567 -1.055 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.224 3.295 -1.338 1.00 0.00 C ATOM 464 CE2 TYR A 34 -1.029 1.098 -0.852 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.223 2.435 -1.002 1.00 0.00 C ATOM 466 OH TYR A 34 -2.472 2.935 -0.809 1.00 0.00 O ATOM 0 H TYR A 34 5.153 -0.350 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 34 3.720 2.136 -0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.161 1.296 -2.515 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.664 -0.223 -1.796 1.00 0.00 H new ATOM 0 HD1 TYR A 34 1.911 3.426 -1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.476 -0.491 -0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.419 4.351 -1.449 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.849 0.448 -0.586 1.00 0.00 H new ATOM 0 HH TYR A 34 -3.117 2.414 -1.331 1.00 0.00 H new ATOM 476 N GLU A 35 2.849 0.972 1.811 1.00 0.00 N ATOM 477 CA GLU A 35 2.383 0.320 3.023 1.00 0.00 C ATOM 478 C GLU A 35 0.935 0.715 3.315 1.00 0.00 C ATOM 479 O GLU A 35 0.638 1.260 4.377 1.00 0.00 O ATOM 480 CB GLU A 35 3.292 0.653 4.208 1.00 0.00 C ATOM 481 CG GLU A 35 4.072 -0.582 4.665 1.00 0.00 C ATOM 482 CD GLU A 35 4.235 -0.595 6.186 1.00 0.00 C ATOM 483 OE1 GLU A 35 3.196 -0.730 6.868 1.00 0.00 O ATOM 484 OE2 GLU A 35 5.396 -0.470 6.633 1.00 0.00 O ATOM 0 H GLU A 35 2.856 1.991 1.851 1.00 0.00 H new ATOM 0 HA GLU A 35 2.421 -0.759 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.988 1.443 3.926 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.693 1.035 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.552 -1.484 4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.053 -0.593 4.190 1.00 0.00 H new ATOM 491 N ALA A 36 0.070 0.422 2.355 1.00 0.00 N ATOM 492 CA ALA A 36 -1.341 0.739 2.496 1.00 0.00 C ATOM 493 C ALA A 36 -1.487 2.106 3.168 1.00 0.00 C ATOM 494 O ALA A 36 -1.760 2.187 4.365 1.00 0.00 O ATOM 495 CB ALA A 36 -2.038 -0.374 3.281 1.00 0.00 C ATOM 0 H ALA A 36 0.319 -0.032 1.476 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.821 0.799 1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.097 -0.137 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.930 -1.318 2.747 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.585 -0.461 4.269 1.00 0.00 H new ATOM 569 N ASP A 41 -6.829 -0.746 1.049 1.00 0.00 N ATOM 570 CA ASP A 41 -5.695 -0.672 0.144 1.00 0.00 C ATOM 571 C ASP A 41 -4.690 -1.768 0.503 1.00 0.00 C ATOM 572 O ASP A 41 -4.476 -2.058 1.679 1.00 0.00 O ATOM 573 CB ASP A 41 -4.985 0.678 0.262 1.00 0.00 C ATOM 574 CG ASP A 41 -5.573 1.795 -0.602 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.810 1.962 -0.549 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.771 2.458 -1.295 1.00 0.00 O ATOM 0 HA ASP A 41 -6.066 -0.797 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.009 0.995 1.305 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.937 0.545 -0.006 1.00 0.00 H new ATOM 581 N LEU A 42 -4.098 -2.347 -0.532 1.00 0.00 N ATOM 582 CA LEU A 42 -3.121 -3.404 -0.341 1.00 0.00 C ATOM 583 C LEU A 42 -1.727 -2.787 -0.208 1.00 0.00 C ATOM 584 O LEU A 42 -1.461 -1.720 -0.761 1.00 0.00 O ATOM 585 CB LEU A 42 -3.228 -4.442 -1.460 1.00 0.00 C ATOM 586 CG LEU A 42 -2.570 -5.796 -1.185 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.441 -6.652 -0.263 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.236 -6.518 -2.491 1.00 0.00 C ATOM 0 H LEU A 42 -4.277 -2.103 -1.506 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.322 -3.944 0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.284 -4.610 -1.673 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.784 -4.021 -2.362 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.629 -5.619 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.950 -7.609 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.585 -6.135 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.409 -6.823 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.769 -7.477 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.151 -6.683 -3.060 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.549 -5.909 -3.078 1.00 0.00 H new ATOM 600 N SER A 43 -0.875 -3.482 0.530 1.00 0.00 N ATOM 601 CA SER A 43 0.485 -3.016 0.743 1.00 0.00 C ATOM 602 C SER A 43 1.462 -3.862 -0.077 1.00 0.00 C ATOM 603 O SER A 43 1.247 -5.058 -0.266 1.00 0.00 O ATOM 604 CB SER A 43 0.857 -3.062 2.226 1.00 0.00 C ATOM 605 OG SER A 43 0.832 -4.390 2.741 1.00 0.00 O ATOM 0 H SER A 43 -1.100 -4.365 0.988 1.00 0.00 H new ATOM 0 HA SER A 43 0.547 -1.979 0.413 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.852 -2.638 2.364 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.164 -2.440 2.793 1.00 0.00 H new ATOM 0 HG SER A 43 1.077 -4.378 3.690 1.00 0.00 H new ATOM 611 N PHE A 44 2.518 -3.206 -0.539 1.00 0.00 N ATOM 612 CA PHE A 44 3.530 -3.883 -1.333 1.00 0.00 C ATOM 613 C PHE A 44 4.868 -3.147 -1.258 1.00 0.00 C ATOM 614 O PHE A 44 4.992 -2.148 -0.551 1.00 0.00 O ATOM 615 CB PHE A 44 3.038 -3.878 -2.782 1.00 0.00 C ATOM 616 CG PHE A 44 2.540 -2.514 -3.265 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.414 -1.621 -3.800 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.222 -2.196 -3.159 1.00 0.00 C ATOM 619 CE1 PHE A 44 2.952 -0.356 -4.248 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.760 -0.930 -3.607 1.00 0.00 C ATOM 621 CZ PHE A 44 1.634 -0.037 -4.142 1.00 0.00 C ATOM 0 H PHE A 44 2.694 -2.214 -0.379 1.00 0.00 H new ATOM 0 HA PHE A 44 3.682 -4.895 -0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.849 -4.208 -3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.232 -4.605 -2.884 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.461 -1.874 -3.884 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.527 -2.906 -2.734 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.647 0.353 -4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.286 -0.677 -3.523 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.282 0.925 -4.483 1.00 0.00 H new ATOM 631 N GLN A 45 5.836 -3.669 -1.996 1.00 0.00 N ATOM 632 CA GLN A 45 7.162 -3.073 -2.022 1.00 0.00 C ATOM 633 C GLN A 45 7.601 -2.819 -3.466 1.00 0.00 C ATOM 634 O GLN A 45 7.049 -3.403 -4.398 1.00 0.00 O ATOM 635 CB GLN A 45 8.174 -3.956 -1.288 1.00 0.00 C ATOM 636 CG GLN A 45 7.938 -3.919 0.223 1.00 0.00 C ATOM 637 CD GLN A 45 8.783 -4.977 0.935 1.00 0.00 C ATOM 638 OE1 GLN A 45 8.851 -6.128 0.534 1.00 0.00 O ATOM 639 NE2 GLN A 45 9.422 -4.526 2.011 1.00 0.00 N ATOM 0 H GLN A 45 5.729 -4.498 -2.581 1.00 0.00 H new ATOM 0 HA GLN A 45 7.120 -2.116 -1.502 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.095 -4.982 -1.647 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.186 -3.618 -1.510 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.185 -2.930 0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.882 -4.089 0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.322 -3.551 2.292 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.012 -5.156 2.555 1.00 0.00 H new ATOM 648 N LYS A 46 8.590 -1.948 -3.605 1.00 0.00 N ATOM 649 CA LYS A 46 9.110 -1.610 -4.919 1.00 0.00 C ATOM 650 C LYS A 46 9.703 -2.862 -5.566 1.00 0.00 C ATOM 651 O LYS A 46 10.769 -3.328 -5.163 1.00 0.00 O ATOM 652 CB LYS A 46 10.094 -0.443 -4.820 1.00 0.00 C ATOM 653 CG LYS A 46 11.056 -0.435 -6.010 1.00 0.00 C ATOM 654 CD LYS A 46 11.622 0.966 -6.250 1.00 0.00 C ATOM 655 CE LYS A 46 11.919 1.191 -7.734 1.00 0.00 C ATOM 656 NZ LYS A 46 13.376 1.118 -7.986 1.00 0.00 N ATOM 0 H LYS A 46 9.045 -1.466 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 46 8.307 -1.266 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.545 0.498 -4.785 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.659 -0.517 -3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.872 -1.134 -5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.536 -0.779 -6.904 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.911 1.714 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.535 1.098 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.402 0.441 -8.333 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.538 2.164 -8.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.562 1.273 -8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.862 1.850 -7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.730 0.180 -7.709 1.00 0.00 H new ATOM 670 N GLY A 47 8.989 -3.373 -6.558 1.00 0.00 N ATOM 671 CA GLY A 47 9.431 -4.563 -7.264 1.00 0.00 C ATOM 672 C GLY A 47 8.444 -5.716 -7.068 1.00 0.00 C ATOM 673 O GLY A 47 8.629 -6.797 -7.625 1.00 0.00 O ATOM 0 H GLY A 47 8.106 -2.984 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.532 -4.343 -8.327 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.417 -4.858 -6.904 1.00 0.00 H new ATOM 677 N ASP A 48 7.419 -5.446 -6.275 1.00 0.00 N ATOM 678 CA ASP A 48 6.403 -6.447 -5.999 1.00 0.00 C ATOM 679 C ASP A 48 5.449 -6.541 -7.191 1.00 0.00 C ATOM 680 O ASP A 48 5.032 -5.523 -7.739 1.00 0.00 O ATOM 681 CB ASP A 48 5.581 -6.072 -4.764 1.00 0.00 C ATOM 682 CG ASP A 48 4.893 -7.247 -4.064 1.00 0.00 C ATOM 683 OD1 ASP A 48 5.131 -8.390 -4.508 1.00 0.00 O ATOM 684 OD2 ASP A 48 4.147 -6.974 -3.100 1.00 0.00 O ATOM 0 H ASP A 48 7.270 -4.548 -5.814 1.00 0.00 H new ATOM 0 HA ASP A 48 6.906 -7.398 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.235 -5.574 -4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.821 -5.348 -5.058 1.00 0.00 H new ATOM 689 N GLN A 49 5.129 -7.775 -7.557 1.00 0.00 N ATOM 690 CA GLN A 49 4.231 -8.015 -8.674 1.00 0.00 C ATOM 691 C GLN A 49 2.839 -8.395 -8.164 1.00 0.00 C ATOM 692 O GLN A 49 2.705 -9.277 -7.317 1.00 0.00 O ATOM 693 CB GLN A 49 4.789 -9.095 -9.602 1.00 0.00 C ATOM 694 CG GLN A 49 6.154 -8.688 -10.160 1.00 0.00 C ATOM 695 CD GLN A 49 6.141 -8.674 -11.690 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.692 -9.541 -12.349 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.483 -7.645 -12.215 1.00 0.00 N ATOM 0 H GLN A 49 5.476 -8.618 -7.100 1.00 0.00 H new ATOM 0 HA GLN A 49 4.146 -7.094 -9.251 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.880 -10.035 -9.058 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.094 -9.268 -10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.423 -7.700 -9.786 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.917 -9.382 -9.806 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.045 -6.955 -11.605 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.416 -7.546 -13.228 1.00 0.00 H new ATOM 706 N MET A 50 1.841 -7.711 -8.702 1.00 0.00 N ATOM 707 CA MET A 50 0.464 -7.966 -8.312 1.00 0.00 C ATOM 708 C MET A 50 -0.404 -8.272 -9.534 1.00 0.00 C ATOM 709 O MET A 50 -0.159 -7.750 -10.620 1.00 0.00 O ATOM 710 CB MET A 50 -0.095 -6.742 -7.581 1.00 0.00 C ATOM 711 CG MET A 50 0.815 -6.335 -6.420 1.00 0.00 C ATOM 712 SD MET A 50 0.395 -4.691 -5.865 1.00 0.00 S ATOM 713 CE MET A 50 1.839 -3.799 -6.418 1.00 0.00 C ATOM 0 H MET A 50 1.957 -6.981 -9.404 1.00 0.00 H new ATOM 0 HA MET A 50 0.447 -8.833 -7.652 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.194 -5.911 -8.279 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.094 -6.963 -7.205 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.709 -7.043 -5.598 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.858 -6.366 -6.736 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.792 -2.771 -6.058 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.736 -4.280 -6.027 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.873 -3.801 -7.507 1.00 0.00 H new ATOM 723 N VAL A 51 -1.401 -9.117 -9.315 1.00 0.00 N ATOM 724 CA VAL A 51 -2.307 -9.498 -10.385 1.00 0.00 C ATOM 725 C VAL A 51 -3.534 -8.585 -10.357 1.00 0.00 C ATOM 726 O VAL A 51 -4.485 -8.837 -9.619 1.00 0.00 O ATOM 727 CB VAL A 51 -2.663 -10.981 -10.264 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.833 -11.341 -11.183 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.447 -11.863 -10.555 1.00 0.00 C ATOM 0 H VAL A 51 -1.601 -9.548 -8.413 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.828 -9.370 -11.356 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.974 -11.167 -9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.066 -12.401 -11.078 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.706 -10.749 -10.909 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.561 -11.130 -12.217 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.728 -12.912 -10.462 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.092 -11.671 -11.567 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.654 -11.635 -9.843 1.00 0.00 H new ATOM 739 N VAL A 52 -3.474 -7.542 -11.174 1.00 0.00 N ATOM 740 CA VAL A 52 -4.569 -6.590 -11.252 1.00 0.00 C ATOM 741 C VAL A 52 -5.832 -7.311 -11.725 1.00 0.00 C ATOM 742 O VAL A 52 -5.869 -7.845 -12.832 1.00 0.00 O ATOM 743 CB VAL A 52 -4.176 -5.417 -12.152 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.417 -4.728 -12.726 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.294 -4.418 -11.399 1.00 0.00 C ATOM 0 H VAL A 52 -2.685 -7.336 -11.787 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.784 -6.171 -10.269 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.596 -5.814 -12.985 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.111 -3.898 -13.362 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.991 -5.444 -13.315 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.034 -4.352 -11.910 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.029 -3.594 -12.062 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.838 -4.030 -10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.386 -4.917 -11.060 1.00 0.00 H new ATOM 755 N LEU A 53 -6.838 -7.301 -10.863 1.00 0.00 N ATOM 756 CA LEU A 53 -8.101 -7.947 -11.179 1.00 0.00 C ATOM 757 C LEU A 53 -9.098 -6.896 -11.670 1.00 0.00 C ATOM 758 O LEU A 53 -9.666 -7.032 -12.754 1.00 0.00 O ATOM 759 CB LEU A 53 -8.602 -8.758 -9.982 1.00 0.00 C ATOM 760 CG LEU A 53 -7.537 -9.534 -9.204 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.106 -10.080 -7.892 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.923 -10.637 -10.067 1.00 0.00 C ATOM 0 H LEU A 53 -6.804 -6.856 -9.946 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.970 -8.665 -11.989 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.104 -8.079 -9.293 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.352 -9.465 -10.336 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.733 -8.845 -8.944 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.329 -10.627 -7.358 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.456 -9.252 -7.275 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.939 -10.750 -8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.169 -11.173 -9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.703 -11.332 -10.379 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.458 -10.194 -10.948 1.00 0.00 H new ATOM 774 N GLU A 54 -9.280 -5.871 -10.851 1.00 0.00 N ATOM 775 CA GLU A 54 -10.199 -4.797 -11.190 1.00 0.00 C ATOM 776 C GLU A 54 -9.425 -3.512 -11.491 1.00 0.00 C ATOM 777 O GLU A 54 -8.320 -3.316 -10.988 1.00 0.00 O ATOM 778 CB GLU A 54 -11.217 -4.574 -10.070 1.00 0.00 C ATOM 779 CG GLU A 54 -12.136 -5.787 -9.913 1.00 0.00 C ATOM 780 CD GLU A 54 -13.577 -5.436 -10.288 1.00 0.00 C ATOM 781 OE1 GLU A 54 -14.041 -4.373 -9.822 1.00 0.00 O ATOM 782 OE2 GLU A 54 -14.182 -6.239 -11.031 1.00 0.00 O ATOM 0 H GLU A 54 -8.807 -5.761 -9.954 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.750 -5.085 -12.086 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.695 -4.385 -9.132 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.813 -3.688 -10.287 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.780 -6.601 -10.544 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.101 -6.143 -8.883 1.00 0.00 H new ATOM 822 N GLU A 58 -7.670 4.746 -11.210 1.00 0.00 N ATOM 823 CA GLU A 58 -6.284 4.833 -10.782 1.00 0.00 C ATOM 824 C GLU A 58 -5.905 3.605 -9.952 1.00 0.00 C ATOM 825 O GLU A 58 -5.064 2.809 -10.364 1.00 0.00 O ATOM 826 CB GLU A 58 -6.032 6.124 -9.999 1.00 0.00 C ATOM 827 CG GLU A 58 -6.469 7.348 -10.804 1.00 0.00 C ATOM 828 CD GLU A 58 -7.889 7.775 -10.427 1.00 0.00 C ATOM 829 OE1 GLU A 58 -8.007 8.577 -9.476 1.00 0.00 O ATOM 830 OE2 GLU A 58 -8.825 7.289 -11.098 1.00 0.00 O ATOM 0 HA GLU A 58 -5.651 4.855 -11.669 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.575 6.093 -9.055 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.973 6.204 -9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.778 8.172 -10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.424 7.122 -11.869 1.00 0.00 H new ATOM 837 N TRP A 59 -6.547 3.490 -8.799 1.00 0.00 N ATOM 838 CA TRP A 59 -6.289 2.371 -7.907 1.00 0.00 C ATOM 839 C TRP A 59 -6.938 1.125 -8.512 1.00 0.00 C ATOM 840 O TRP A 59 -8.085 1.171 -8.954 1.00 0.00 O ATOM 841 CB TRP A 59 -6.781 2.675 -6.490 1.00 0.00 C ATOM 842 CG TRP A 59 -6.278 4.007 -5.928 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.747 5.236 -6.177 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.183 4.192 -5.007 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.037 6.198 -5.486 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.056 5.543 -4.752 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.327 3.250 -4.408 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.085 6.073 -3.894 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.363 3.796 -3.554 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.223 5.153 -3.287 1.00 0.00 C ATOM 0 H TRP A 59 -7.245 4.153 -8.461 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.218 2.193 -7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.871 2.680 -6.488 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.465 1.870 -5.826 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.576 5.448 -6.835 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.202 7.204 -5.510 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.408 2.189 -4.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.006 7.134 -3.711 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.680 3.116 -3.068 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.452 5.496 -2.613 1.00 0.00 H new ATOM 861 N TRP A 60 -6.176 0.041 -8.511 1.00 0.00 N ATOM 862 CA TRP A 60 -6.664 -1.215 -9.054 1.00 0.00 C ATOM 863 C TRP A 60 -6.613 -2.263 -7.939 1.00 0.00 C ATOM 864 O TRP A 60 -5.813 -2.150 -7.012 1.00 0.00 O ATOM 865 CB TRP A 60 -5.865 -1.624 -10.294 1.00 0.00 C ATOM 866 CG TRP A 60 -5.684 -0.498 -11.315 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.486 0.552 -11.537 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.593 -0.353 -12.249 1.00 0.00 C ATOM 869 NE1 TRP A 60 -5.995 1.361 -12.542 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.807 0.792 -12.988 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.464 -1.162 -12.463 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.934 1.233 -13.990 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.601 -0.709 -13.468 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.802 0.442 -14.221 1.00 0.00 C ATOM 0 H TRP A 60 -5.225 0.007 -8.143 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.695 -1.114 -9.392 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -4.883 -1.978 -9.981 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.367 -2.462 -10.777 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.402 0.742 -10.997 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.424 2.217 -12.893 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.277 -2.062 -11.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.124 2.134 -14.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.717 -1.295 -13.673 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -2.088 0.725 -14.981 1.00 0.00 H new ATOM 885 N LYS A 61 -7.479 -3.258 -8.067 1.00 0.00 N ATOM 886 CA LYS A 61 -7.543 -4.325 -7.082 1.00 0.00 C ATOM 887 C LYS A 61 -6.734 -5.524 -7.582 1.00 0.00 C ATOM 888 O LYS A 61 -7.230 -6.326 -8.371 1.00 0.00 O ATOM 889 CB LYS A 61 -8.998 -4.660 -6.751 1.00 0.00 C ATOM 890 CG LYS A 61 -9.080 -5.668 -5.602 1.00 0.00 C ATOM 891 CD LYS A 61 -10.092 -6.773 -5.914 1.00 0.00 C ATOM 892 CE LYS A 61 -10.525 -7.496 -4.638 1.00 0.00 C ATOM 893 NZ LYS A 61 -9.350 -7.809 -3.795 1.00 0.00 N ATOM 0 H LYS A 61 -8.142 -3.348 -8.837 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.092 -4.005 -6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.532 -3.749 -6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.491 -5.068 -7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.098 -6.108 -5.428 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.367 -5.156 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.964 -6.344 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.652 -7.488 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -11.225 -6.874 -4.080 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.051 -8.416 -4.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.577 -8.604 -3.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.546 -8.068 -4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.099 -6.976 -3.226 1.00 0.00 H new ATOM 907 N ALA A 62 -5.503 -5.608 -7.103 1.00 0.00 N ATOM 908 CA ALA A 62 -4.620 -6.695 -7.490 1.00 0.00 C ATOM 909 C ALA A 62 -4.275 -7.531 -6.256 1.00 0.00 C ATOM 910 O ALA A 62 -4.514 -7.106 -5.128 1.00 0.00 O ATOM 911 CB ALA A 62 -3.377 -6.124 -8.175 1.00 0.00 C ATOM 0 H ALA A 62 -5.095 -4.940 -6.449 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.113 -7.353 -8.206 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.715 -6.939 -8.465 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.675 -5.565 -9.062 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.855 -5.460 -7.486 1.00 0.00 H new ATOM 917 N ARG A 63 -3.718 -8.705 -6.514 1.00 0.00 N ATOM 918 CA ARG A 63 -3.336 -9.604 -5.438 1.00 0.00 C ATOM 919 C ARG A 63 -1.820 -9.803 -5.424 1.00 0.00 C ATOM 920 O ARG A 63 -1.232 -10.190 -6.433 1.00 0.00 O ATOM 921 CB ARG A 63 -4.021 -10.964 -5.589 1.00 0.00 C ATOM 922 CG ARG A 63 -3.216 -12.064 -4.893 1.00 0.00 C ATOM 923 CD ARG A 63 -2.468 -12.925 -5.912 1.00 0.00 C ATOM 924 NE ARG A 63 -3.431 -13.710 -6.716 1.00 0.00 N ATOM 925 CZ ARG A 63 -3.088 -14.480 -7.757 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.804 -14.573 -8.129 1.00 0.00 N ATOM 927 NH2 ARG A 63 -4.029 -15.157 -8.429 1.00 0.00 N ATOM 0 H ARG A 63 -3.522 -9.055 -7.452 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.654 -9.151 -4.499 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.024 -10.919 -5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.132 -11.204 -6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.505 -11.615 -4.199 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.885 -12.691 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.868 -12.291 -6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.779 -13.595 -5.398 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.418 -13.662 -6.462 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -1.087 -14.057 -7.619 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.544 -15.160 -8.922 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -5.007 -15.086 -8.148 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.767 -15.743 -9.222 1.00 0.00 H new ATOM 941 N SER A 64 -1.230 -9.530 -4.268 1.00 0.00 N ATOM 942 CA SER A 64 0.207 -9.675 -4.110 1.00 0.00 C ATOM 943 C SER A 64 0.635 -11.097 -4.481 1.00 0.00 C ATOM 944 O SER A 64 0.033 -12.068 -4.027 1.00 0.00 O ATOM 945 CB SER A 64 0.639 -9.348 -2.680 1.00 0.00 C ATOM 946 OG SER A 64 1.915 -8.715 -2.639 1.00 0.00 O ATOM 0 H SER A 64 -1.721 -9.210 -3.433 1.00 0.00 H new ATOM 0 HA SER A 64 0.697 -8.969 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.103 -8.698 -2.217 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.670 -10.265 -2.092 1.00 0.00 H new ATOM 0 HG SER A 64 2.154 -8.521 -1.709 1.00 0.00 H new ATOM 952 N LEU A 65 1.670 -11.173 -5.305 1.00 0.00 N ATOM 953 CA LEU A 65 2.185 -12.459 -5.743 1.00 0.00 C ATOM 954 C LEU A 65 3.260 -12.933 -4.762 1.00 0.00 C ATOM 955 O LEU A 65 4.107 -13.754 -5.114 1.00 0.00 O ATOM 956 CB LEU A 65 2.667 -12.378 -7.192 1.00 0.00 C ATOM 957 CG LEU A 65 1.592 -12.550 -8.268 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.533 -11.451 -8.164 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.217 -12.615 -9.662 1.00 0.00 C ATOM 0 H LEU A 65 2.166 -10.365 -5.681 1.00 0.00 H new ATOM 0 HA LEU A 65 1.394 -13.209 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.149 -11.412 -7.340 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.430 -13.142 -7.343 1.00 0.00 H new ATOM 0 HG LEU A 65 1.087 -13.501 -8.098 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.219 -11.596 -8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.057 -11.496 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.005 -10.477 -8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.431 -12.737 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.764 -11.693 -9.859 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.902 -13.461 -9.715 1.00 0.00 H new ATOM 971 N ALA A 66 3.193 -12.395 -3.554 1.00 0.00 N ATOM 972 CA ALA A 66 4.149 -12.753 -2.520 1.00 0.00 C ATOM 973 C ALA A 66 3.409 -13.390 -1.343 1.00 0.00 C ATOM 974 O ALA A 66 3.903 -14.337 -0.733 1.00 0.00 O ATOM 975 CB ALA A 66 4.943 -11.513 -2.107 1.00 0.00 C ATOM 0 H ALA A 66 2.491 -11.713 -3.267 1.00 0.00 H new ATOM 0 HA ALA A 66 4.862 -13.487 -2.896 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.660 -11.782 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.475 -11.117 -2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.260 -10.755 -1.723 1.00 0.00 H new ATOM 981 N THR A 67 2.234 -12.845 -1.059 1.00 0.00 N ATOM 982 CA THR A 67 1.420 -13.348 0.034 1.00 0.00 C ATOM 983 C THR A 67 0.028 -13.731 -0.471 1.00 0.00 C ATOM 984 O THR A 67 -0.802 -14.219 0.296 1.00 0.00 O ATOM 985 CB THR A 67 1.398 -12.286 1.134 1.00 0.00 C ATOM 986 OG1 THR A 67 0.864 -11.132 0.492 1.00 0.00 O ATOM 987 CG2 THR A 67 2.803 -11.857 1.564 1.00 0.00 C ATOM 0 H THR A 67 1.827 -12.060 -1.567 1.00 0.00 H new ATOM 0 HA THR A 67 1.841 -14.262 0.454 1.00 0.00 H new ATOM 0 HB THR A 67 0.856 -12.671 1.998 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.345 -10.335 0.799 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.729 -11.102 2.347 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.347 -12.722 1.944 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.335 -11.441 0.708 1.00 0.00 H new ATOM 995 N ARG A 68 -0.186 -13.494 -1.757 1.00 0.00 N ATOM 996 CA ARG A 68 -1.464 -13.808 -2.373 1.00 0.00 C ATOM 997 C ARG A 68 -2.572 -12.944 -1.766 1.00 0.00 C ATOM 998 O ARG A 68 -3.748 -13.298 -1.833 1.00 0.00 O ATOM 999 CB ARG A 68 -1.819 -15.284 -2.185 1.00 0.00 C ATOM 1000 CG ARG A 68 -0.652 -16.185 -2.597 1.00 0.00 C ATOM 1001 CD ARG A 68 -0.957 -17.653 -2.292 1.00 0.00 C ATOM 1002 NE ARG A 68 -1.065 -18.421 -3.551 1.00 0.00 N ATOM 1003 CZ ARG A 68 -1.557 -19.664 -3.634 1.00 0.00 C ATOM 1004 NH1 ARG A 68 -1.988 -20.289 -2.529 1.00 0.00 N ATOM 1005 NH2 ARG A 68 -1.617 -20.285 -4.820 1.00 0.00 N ATOM 0 H ARG A 68 0.504 -13.088 -2.389 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.378 -13.600 -3.439 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.076 -15.470 -1.142 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.699 -15.529 -2.779 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.454 -16.065 -3.662 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.251 -15.880 -2.068 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.170 -18.074 -1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.887 -17.730 -1.729 1.00 0.00 H new ATOM 0 HE ARG A 68 -0.744 -17.976 -4.411 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.941 -19.818 -1.626 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.363 -21.236 -2.592 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.288 -19.811 -5.661 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -1.992 -21.232 -4.882 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.158 -11.827 -1.187 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.099 -10.910 -0.568 1.00 0.00 C ATOM 1021 C LYS A 69 -4.016 -10.325 -1.644 1.00 0.00 C ATOM 1022 O LYS A 69 -3.857 -10.621 -2.828 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.358 -9.851 0.250 1.00 0.00 C ATOM 1024 CG LYS A 69 -1.785 -10.453 1.534 1.00 0.00 C ATOM 1025 CD LYS A 69 -0.866 -9.457 2.244 1.00 0.00 C ATOM 1026 CE LYS A 69 -0.033 -10.152 3.324 1.00 0.00 C ATOM 1027 NZ LYS A 69 -0.595 -9.882 4.666 1.00 0.00 N ATOM 0 H LYS A 69 -1.182 -11.536 -1.134 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.735 -11.439 0.142 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.552 -9.423 -0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.038 -9.036 0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.599 -10.741 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.230 -11.361 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.205 -8.985 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.463 -8.664 2.694 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.013 -11.226 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.998 -9.802 3.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.018 -10.361 5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.591 -8.857 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.571 -10.238 4.712 1.00 0.00 H new ATOM 1041 N GLU A 70 -4.955 -9.505 -1.195 1.00 0.00 N ATOM 1042 CA GLU A 70 -5.897 -8.876 -2.106 1.00 0.00 C ATOM 1043 C GLU A 70 -6.333 -7.515 -1.560 1.00 0.00 C ATOM 1044 O GLU A 70 -6.669 -7.393 -0.383 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.105 -9.780 -2.355 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.830 -10.759 -3.498 1.00 0.00 C ATOM 1047 CD GLU A 70 -7.957 -11.787 -3.622 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -9.122 -11.379 -3.425 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -7.628 -12.958 -3.912 1.00 0.00 O ATOM 0 H GLU A 70 -5.084 -9.262 -0.213 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.399 -8.719 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.343 -10.333 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.976 -9.171 -2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.728 -10.211 -4.435 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.884 -11.271 -3.324 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.316 -6.526 -2.441 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.706 -5.178 -2.063 1.00 0.00 C ATOM 1058 C GLY A 71 -6.417 -4.186 -3.191 1.00 0.00 C ATOM 1059 O GLY A 71 -5.794 -4.541 -4.189 1.00 0.00 O ATOM 0 H GLY A 71 -6.038 -6.631 -3.417 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.768 -5.158 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.167 -4.879 -1.164 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.885 -2.963 -2.994 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.685 -1.917 -3.982 1.00 0.00 C ATOM 1065 C TYR A 72 -5.274 -1.333 -3.885 1.00 0.00 C ATOM 1066 O TYR A 72 -4.777 -1.081 -2.789 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.701 -0.821 -3.649 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.148 -1.195 -3.976 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.462 -1.723 -5.212 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.139 -1.003 -3.036 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.824 -2.074 -5.520 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.502 -1.355 -3.345 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.776 -1.873 -4.571 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.063 -2.205 -4.862 1.00 0.00 O ATOM 0 H TYR A 72 -7.402 -2.673 -2.164 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.812 -2.313 -4.990 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.629 -0.583 -2.588 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.437 0.083 -4.197 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.686 -1.873 -5.948 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.894 -0.589 -2.069 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.083 -2.488 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.288 -1.210 -2.618 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.634 -2.008 -4.090 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.669 -1.136 -5.047 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.325 -0.588 -5.108 1.00 0.00 C ATOM 1086 C ILE A 73 -3.289 0.552 -6.128 1.00 0.00 C ATOM 1087 O ILE A 73 -4.079 0.570 -7.070 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.306 -1.695 -5.385 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.662 -2.460 -6.663 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.165 -2.627 -4.180 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.497 -2.445 -7.653 1.00 0.00 C ATOM 0 H ILE A 73 -5.085 -1.346 -5.954 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.043 -0.163 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.333 -1.230 -5.547 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.920 -3.490 -6.415 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.542 -2.013 -7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.435 -3.404 -4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.831 -2.055 -3.314 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.129 -3.087 -3.961 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.776 -2.995 -8.552 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.258 -1.415 -7.918 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.625 -2.914 -7.196 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.339 1.498 -5.899 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.190 2.639 -6.786 1.00 0.00 C ATOM 1105 C PRO A 74 -1.514 2.229 -8.097 1.00 0.00 C ATOM 1106 O PRO A 74 -0.556 1.457 -8.089 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.382 3.653 -5.993 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.715 2.869 -4.874 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.388 1.508 -4.792 1.00 0.00 C ATOM 0 HA PRO A 74 -3.147 3.063 -7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.640 4.141 -6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.024 4.437 -5.592 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.351 2.756 -5.070 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.811 3.400 -3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.662 0.701 -4.887 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.892 1.373 -3.835 1.00 0.00 H new ATOM 1117 N SER A 75 -2.039 2.763 -9.188 1.00 0.00 N ATOM 1118 CA SER A 75 -1.499 2.462 -10.504 1.00 0.00 C ATOM 1119 C SER A 75 -0.285 3.349 -10.785 1.00 0.00 C ATOM 1120 O SER A 75 0.595 2.975 -11.559 1.00 0.00 O ATOM 1121 CB SER A 75 -2.558 2.651 -11.591 1.00 0.00 C ATOM 1122 OG SER A 75 -1.985 2.679 -12.896 1.00 0.00 O ATOM 0 H SER A 75 -2.833 3.403 -9.189 1.00 0.00 H new ATOM 0 HA SER A 75 -1.189 1.417 -10.516 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.286 1.842 -11.532 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.099 3.580 -11.413 1.00 0.00 H new ATOM 0 HG SER A 75 -2.511 2.111 -13.496 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.275 4.507 -10.141 1.00 0.00 N ATOM 1129 CA ASN A 76 0.817 5.451 -10.313 1.00 0.00 C ATOM 1130 C ASN A 76 2.051 4.936 -9.570 1.00 0.00 C ATOM 1131 O ASN A 76 3.117 5.546 -9.632 1.00 0.00 O ATOM 1132 CB ASN A 76 0.456 6.821 -9.737 1.00 0.00 C ATOM 1133 CG ASN A 76 0.587 6.828 -8.214 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.572 5.798 -7.559 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.716 8.042 -7.686 1.00 0.00 N ATOM 0 H ASN A 76 -1.006 4.813 -9.499 1.00 0.00 H new ATOM 0 HA ASN A 76 1.014 5.549 -11.381 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.108 7.582 -10.165 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.565 7.080 -10.019 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.810 8.152 -6.676 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.721 8.863 -8.291 1.00 0.00 H new ATOM 1142 N TYR A 77 1.865 3.818 -8.883 1.00 0.00 N ATOM 1143 CA TYR A 77 2.950 3.214 -8.128 1.00 0.00 C ATOM 1144 C TYR A 77 3.324 1.847 -8.704 1.00 0.00 C ATOM 1145 O TYR A 77 4.150 1.134 -8.136 1.00 0.00 O ATOM 1146 CB TYR A 77 2.422 3.027 -6.705 1.00 0.00 C ATOM 1147 CG TYR A 77 3.020 4.002 -5.687 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.057 5.353 -5.964 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.520 3.529 -4.491 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.619 6.269 -5.007 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.082 4.445 -3.534 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.104 5.770 -3.839 1.00 0.00 C ATOM 1153 OH TYR A 77 4.635 6.635 -2.933 1.00 0.00 O ATOM 0 H TYR A 77 0.979 3.315 -8.833 1.00 0.00 H new ATOM 0 HA TYR A 77 3.839 3.844 -8.164 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.338 3.144 -6.712 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.630 2.007 -6.382 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.664 5.723 -6.899 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.490 2.472 -4.273 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.655 7.329 -5.212 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.477 4.088 -2.595 1.00 0.00 H new ATOM 0 HH TYR A 77 4.238 7.522 -3.056 1.00 0.00 H new ATOM 1163 N VAL A 78 2.697 1.521 -9.826 1.00 0.00 N ATOM 1164 CA VAL A 78 2.954 0.252 -10.484 1.00 0.00 C ATOM 1165 C VAL A 78 3.273 0.502 -11.960 1.00 0.00 C ATOM 1166 O VAL A 78 3.093 1.613 -12.457 1.00 0.00 O ATOM 1167 CB VAL A 78 1.766 -0.692 -10.282 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.360 -0.752 -8.807 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.584 -0.282 -11.161 1.00 0.00 C ATOM 0 H VAL A 78 2.012 2.114 -10.295 1.00 0.00 H new ATOM 0 HA VAL A 78 3.822 -0.238 -10.042 1.00 0.00 H new ATOM 0 HB VAL A 78 2.076 -1.692 -10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.514 -1.429 -8.690 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.199 -1.114 -8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.077 0.244 -8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.246 -0.969 -10.998 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.273 0.730 -10.903 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.881 -0.315 -12.209 1.00 0.00 H new ATOM 1179 N ALA A 79 3.741 -0.548 -12.617 1.00 0.00 N ATOM 1180 CA ALA A 79 4.087 -0.455 -14.026 1.00 0.00 C ATOM 1181 C ALA A 79 3.981 -1.841 -14.665 1.00 0.00 C ATOM 1182 O ALA A 79 4.805 -2.716 -14.401 1.00 0.00 O ATOM 1183 CB ALA A 79 5.486 0.147 -14.169 1.00 0.00 C ATOM 0 H ALA A 79 3.889 -1.467 -12.201 1.00 0.00 H new ATOM 0 HA ALA A 79 3.393 0.203 -14.549 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.746 0.217 -15.225 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.501 1.142 -13.725 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.210 -0.489 -13.659 1.00 0.00 H new ATOM 1189 N ARG A 80 2.958 -1.998 -15.493 1.00 0.00 N ATOM 1190 CA ARG A 80 2.734 -3.264 -16.172 1.00 0.00 C ATOM 1191 C ARG A 80 4.069 -3.907 -16.551 1.00 0.00 C ATOM 1192 O ARG A 80 4.965 -3.235 -17.059 1.00 0.00 O ATOM 1193 CB ARG A 80 1.892 -3.068 -17.435 1.00 0.00 C ATOM 1194 CG ARG A 80 0.415 -3.353 -17.160 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.213 -4.146 -18.308 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.415 -3.442 -18.811 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.223 -3.922 -19.765 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.963 -5.110 -20.327 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.291 -3.214 -20.158 1.00 0.00 N ATOM 0 H ARG A 80 2.276 -1.271 -15.709 1.00 0.00 H new ATOM 0 HA ARG A 80 2.195 -3.918 -15.487 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.007 -2.047 -17.798 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.253 -3.729 -18.223 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.316 -3.912 -16.230 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.122 -2.414 -17.026 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.510 -4.270 -19.114 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.483 -5.145 -17.966 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.642 -2.534 -18.405 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.150 -5.649 -20.028 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.578 -5.476 -21.054 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.489 -2.309 -19.730 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.906 -3.580 -20.885 1.00 0.00 H new ATOM 1213 N VAL A 81 4.160 -5.203 -16.288 1.00 0.00 N ATOM 1214 CA VAL A 81 5.371 -5.945 -16.595 1.00 0.00 C ATOM 1215 C VAL A 81 5.680 -5.813 -18.087 1.00 0.00 C ATOM 1216 O VAL A 81 6.843 -5.814 -18.486 1.00 0.00 O ATOM 1217 CB VAL A 81 5.223 -7.399 -16.140 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.858 -8.306 -17.317 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.495 -7.887 -15.444 1.00 0.00 C ATOM 0 H VAL A 81 3.415 -5.758 -15.866 1.00 0.00 H new ATOM 0 HA VAL A 81 6.220 -5.533 -16.050 1.00 0.00 H new ATOM 0 HB VAL A 81 4.408 -7.444 -15.417 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.759 -9.334 -16.967 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.913 -7.977 -17.750 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.642 -8.254 -18.073 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.364 -8.923 -15.131 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.336 -7.821 -16.134 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.693 -7.266 -14.570 1.00 0.00 H new ATOM 1229 N ASP A 82 4.618 -5.704 -18.872 1.00 0.00 N ATOM 1230 CA ASP A 82 4.761 -5.572 -20.312 1.00 0.00 C ATOM 1231 C ASP A 82 4.946 -4.095 -20.669 1.00 0.00 C ATOM 1232 O ASP A 82 4.880 -3.723 -21.838 1.00 0.00 O ATOM 1233 CB ASP A 82 3.514 -6.082 -21.038 1.00 0.00 C ATOM 1234 CG ASP A 82 3.788 -6.821 -22.349 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.645 -6.326 -23.112 1.00 0.00 O ATOM 1236 OD2 ASP A 82 3.133 -7.865 -22.560 1.00 0.00 O ATOM 0 H ASP A 82 3.654 -5.704 -18.538 1.00 0.00 H new ATOM 0 HA ASP A 82 5.624 -6.161 -20.621 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.969 -6.749 -20.369 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.860 -5.235 -21.245 1.00 0.00 H new ATOM 1241 N SER A 83 5.173 -3.295 -19.637 1.00 0.00 N ATOM 1242 CA SER A 83 5.368 -1.868 -19.828 1.00 0.00 C ATOM 1243 C SER A 83 6.754 -1.457 -19.326 1.00 0.00 C ATOM 1244 O SER A 83 6.956 -0.316 -18.913 1.00 0.00 O ATOM 1245 CB SER A 83 4.284 -1.063 -19.108 1.00 0.00 C ATOM 1246 OG SER A 83 4.305 0.312 -19.480 1.00 0.00 O ATOM 0 H SER A 83 5.226 -3.608 -18.668 1.00 0.00 H new ATOM 0 HA SER A 83 5.296 -1.653 -20.894 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.306 -1.486 -19.337 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.424 -1.149 -18.030 1.00 0.00 H new ATOM 0 HG SER A 83 5.221 0.654 -19.418 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.532 11.092 -5.197 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.789 11.463 -6.388 1.00 0.00 C ATOM 1380 C PRO B 124 -4.420 10.781 -6.417 1.00 0.00 C ATOM 1381 O PRO B 124 -3.395 11.444 -6.564 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.696 12.980 -6.338 1.00 0.00 C ATOM 1383 CG PRO B 124 -5.980 13.366 -4.896 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.572 12.154 -4.196 1.00 0.00 C ATOM 0 HA PRO B 124 -6.278 11.137 -7.306 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.708 13.321 -6.647 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.417 13.438 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.064 13.684 -4.399 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.673 14.206 -4.855 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -5.994 11.886 -3.311 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.592 12.347 -3.864 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.448 9.464 -6.274 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.222 8.684 -6.282 1.00 0.00 C ATOM 1394 C LEU B 125 -2.314 9.158 -5.145 1.00 0.00 C ATOM 1395 O LEU B 125 -2.412 10.302 -4.704 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.561 8.739 -7.661 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.175 7.839 -8.735 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.903 8.393 -10.135 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.689 6.396 -8.585 1.00 0.00 C ATOM 0 H LEU B 125 -5.300 8.917 -6.152 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.439 7.631 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.593 9.769 -8.016 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.510 8.473 -7.549 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.256 7.830 -8.596 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.350 7.735 -10.880 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.338 9.389 -10.223 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.827 8.451 -10.301 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.141 5.778 -9.361 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.604 6.366 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -2.976 6.015 -7.605 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.428 8.231 -4.692 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.504 8.543 -3.615 1.00 0.00 C ATOM 1413 C PRO B 126 0.634 9.437 -4.112 1.00 0.00 C ATOM 1414 O PRO B 126 0.851 9.562 -5.316 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.021 7.194 -3.110 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.329 6.198 -4.217 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.284 6.866 -5.192 1.00 0.00 C ATOM 0 HA PRO B 126 -0.971 9.111 -2.811 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.047 7.218 -2.893 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.528 6.919 -2.185 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.587 5.897 -4.725 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.776 5.294 -3.804 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.886 6.856 -6.207 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.244 6.351 -5.221 1.00 0.00 H new ATOM 1425 N PRO B 127 1.348 10.054 -3.132 1.00 0.00 N ATOM 1426 CA PRO B 127 2.458 10.934 -3.457 1.00 0.00 C ATOM 1427 C PRO B 127 3.684 10.131 -3.895 1.00 0.00 C ATOM 1428 O PRO B 127 4.194 9.306 -3.138 1.00 0.00 O ATOM 1429 CB PRO B 127 2.699 11.745 -2.194 1.00 0.00 C ATOM 1430 CG PRO B 127 2.031 10.972 -1.069 1.00 0.00 C ATOM 1431 CD PRO B 127 1.120 9.930 -1.696 1.00 0.00 C ATOM 0 HA PRO B 127 2.242 11.590 -4.301 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.766 11.866 -2.005 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.276 12.745 -2.285 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.780 10.494 -0.437 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.458 11.645 -0.431 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.362 8.928 -1.342 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.076 10.114 -1.444 1.00 0.00 H new ATOM 1439 N LEU B 128 4.123 10.401 -5.116 1.00 0.00 N ATOM 1440 CA LEU B 128 5.281 9.714 -5.664 1.00 0.00 C ATOM 1441 C LEU B 128 6.508 10.023 -4.803 1.00 0.00 C ATOM 1442 O LEU B 128 6.762 11.180 -4.472 1.00 0.00 O ATOM 1443 CB LEU B 128 5.463 10.066 -7.142 1.00 0.00 C ATOM 1444 CG LEU B 128 4.629 9.249 -8.132 1.00 0.00 C ATOM 1445 CD1 LEU B 128 5.030 9.565 -9.575 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.723 7.753 -7.825 1.00 0.00 C ATOM 0 H LEU B 128 3.698 11.086 -5.741 1.00 0.00 H new ATOM 0 HA LEU B 128 5.133 8.635 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.221 11.120 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.516 9.945 -7.397 1.00 0.00 H new ATOM 0 HG LEU B 128 3.583 9.535 -8.017 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.423 8.972 -10.259 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.870 10.625 -9.773 1.00 0.00 H new ATOM 0 HD13 LEU B 128 6.083 9.323 -9.721 1.00 0.00 H new ATOM 0 HD21 LEU B 128 4.121 7.196 -8.543 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.762 7.432 -7.895 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.352 7.564 -6.817 1.00 0.00 H new ATOM 1458 N PRO B 129 7.254 8.941 -4.457 1.00 0.00 N ATOM 1459 CA PRO B 129 8.448 9.085 -3.641 1.00 0.00 C ATOM 1460 C PRO B 129 9.604 9.664 -4.458 1.00 0.00 C ATOM 1461 O PRO B 129 10.511 10.283 -3.905 1.00 0.00 O ATOM 1462 CB PRO B 129 8.734 7.689 -3.112 1.00 0.00 C ATOM 1463 CG PRO B 129 7.971 6.736 -4.018 1.00 0.00 C ATOM 1464 CD PRO B 129 6.983 7.556 -4.830 1.00 0.00 C ATOM 0 HA PRO B 129 8.313 9.788 -2.819 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.803 7.475 -3.132 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.408 7.589 -2.077 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.657 6.204 -4.677 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.448 5.984 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.124 7.399 -5.900 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.955 7.278 -4.600 1.00 0.00 H new