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 Set 1.1: A 64 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 67 THR OG1 : rot -160:sc= -0.161 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 116:sc= -0.535! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.56 K(o=-1.6,f=-3.5!) USER MOD Single : A 50 MET CE :methyl -173:sc= -0.0237 (180deg=-0.0558) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 125:sc= 1.78 USER MOD Single : A 76 ASN : amide:sc= -8.68! C(o=-8.7!,f=-17!) USER MOD Single : A 77 TYR OH : rot 17:sc= -0.091 USER MOD Single : A 83 SER OG : rot -47:sc= 0.527 USER MOD ----------------------------------------------------------------- ATOM 323 N ILE A 26 -3.359 -8.703 -15.474 1.00 0.00 N ATOM 324 CA ILE A 26 -2.607 -7.467 -15.604 1.00 0.00 C ATOM 325 C ILE A 26 -1.551 -7.399 -14.499 1.00 0.00 C ATOM 326 O ILE A 26 -1.837 -6.953 -13.389 1.00 0.00 O ATOM 327 CB ILE A 26 -3.553 -6.265 -15.627 1.00 0.00 C ATOM 328 CG1 ILE A 26 -4.297 -6.178 -16.961 1.00 0.00 C ATOM 329 CG2 ILE A 26 -2.802 -4.972 -15.305 1.00 0.00 C ATOM 330 CD1 ILE A 26 -3.449 -5.466 -18.017 1.00 0.00 C ATOM 0 HA ILE A 26 -2.075 -7.442 -16.555 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.303 -6.405 -14.849 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -4.549 -7.181 -17.307 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -5.237 -5.643 -16.823 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.497 -4.132 -15.328 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.356 -5.047 -14.313 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.017 -4.813 -16.044 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.001 -5.418 -18.955 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -3.220 -4.456 -17.679 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.521 -6.017 -18.170 1.00 0.00 H new ATOM 342 N ILE A 27 -0.352 -7.848 -14.841 1.00 0.00 N ATOM 343 CA ILE A 27 0.748 -7.843 -13.892 1.00 0.00 C ATOM 344 C ILE A 27 1.417 -6.468 -13.901 1.00 0.00 C ATOM 345 O ILE A 27 1.785 -5.959 -14.959 1.00 0.00 O ATOM 346 CB ILE A 27 1.709 -8.998 -14.181 1.00 0.00 C ATOM 347 CG1 ILE A 27 0.944 -10.290 -14.469 1.00 0.00 C ATOM 348 CG2 ILE A 27 2.717 -9.169 -13.042 1.00 0.00 C ATOM 349 CD1 ILE A 27 0.243 -10.804 -13.210 1.00 0.00 C ATOM 0 H ILE A 27 -0.118 -8.218 -15.762 1.00 0.00 H new ATOM 0 HA ILE A 27 0.380 -8.011 -12.880 1.00 0.00 H new ATOM 0 HB ILE A 27 2.276 -8.754 -15.080 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.208 -10.114 -15.253 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.632 -11.049 -14.842 1.00 0.00 H new ATOM 0 HG21 ILE A 27 3.389 -9.996 -13.272 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.296 -8.253 -12.928 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.185 -9.380 -12.114 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.294 -11.724 -13.442 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.984 -11.002 -12.436 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.462 -10.053 -12.854 1.00 0.00 H new ATOM 361 N VAL A 28 1.555 -5.904 -12.710 1.00 0.00 N ATOM 362 CA VAL A 28 2.175 -4.597 -12.567 1.00 0.00 C ATOM 363 C VAL A 28 3.181 -4.637 -11.416 1.00 0.00 C ATOM 364 O VAL A 28 2.852 -5.078 -10.316 1.00 0.00 O ATOM 365 CB VAL A 28 1.098 -3.525 -12.385 1.00 0.00 C ATOM 366 CG1 VAL A 28 0.146 -3.494 -13.582 1.00 0.00 C ATOM 367 CG2 VAL A 28 0.330 -3.736 -11.079 1.00 0.00 C ATOM 0 H VAL A 28 1.248 -6.328 -11.835 1.00 0.00 H new ATOM 0 HA VAL A 28 2.727 -4.335 -13.470 1.00 0.00 H new ATOM 0 HB VAL A 28 1.596 -2.557 -12.329 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.609 -2.724 -13.426 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.709 -3.273 -14.489 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.341 -4.464 -13.685 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.429 -2.961 -10.974 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.150 -4.715 -11.093 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.021 -3.683 -10.238 1.00 0.00 H new ATOM 377 N VAL A 29 4.385 -4.169 -11.707 1.00 0.00 N ATOM 378 CA VAL A 29 5.441 -4.146 -10.709 1.00 0.00 C ATOM 379 C VAL A 29 5.397 -2.814 -9.958 1.00 0.00 C ATOM 380 O VAL A 29 5.267 -1.756 -10.570 1.00 0.00 O ATOM 381 CB VAL A 29 6.794 -4.413 -11.373 1.00 0.00 C ATOM 382 CG1 VAL A 29 7.362 -3.136 -11.994 1.00 0.00 C ATOM 383 CG2 VAL A 29 7.781 -5.026 -10.377 1.00 0.00 C ATOM 0 H VAL A 29 4.653 -3.802 -12.620 1.00 0.00 H new ATOM 0 HA VAL A 29 5.291 -4.938 -9.976 1.00 0.00 H new ATOM 0 HB VAL A 29 6.637 -5.133 -12.176 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.323 -3.354 -12.459 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.671 -2.760 -12.749 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.497 -2.383 -11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.734 -5.206 -10.874 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.930 -4.340 -9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.383 -5.969 -10.004 1.00 0.00 H new ATOM 393 N ALA A 30 5.508 -2.912 -8.641 1.00 0.00 N ATOM 394 CA ALA A 30 5.482 -1.727 -7.799 1.00 0.00 C ATOM 395 C ALA A 30 6.695 -0.852 -8.121 1.00 0.00 C ATOM 396 O ALA A 30 7.833 -1.314 -8.060 1.00 0.00 O ATOM 397 CB ALA A 30 5.441 -2.147 -6.328 1.00 0.00 C ATOM 0 H ALA A 30 5.616 -3.792 -8.137 1.00 0.00 H new ATOM 0 HA ALA A 30 4.587 -1.136 -7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.422 -1.259 -5.696 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.547 -2.742 -6.144 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.326 -2.739 -6.094 1.00 0.00 H new ATOM 403 N LEU A 31 6.409 0.399 -8.457 1.00 0.00 N ATOM 404 CA LEU A 31 7.462 1.343 -8.789 1.00 0.00 C ATOM 405 C LEU A 31 8.088 1.876 -7.499 1.00 0.00 C ATOM 406 O LEU A 31 9.235 2.322 -7.500 1.00 0.00 O ATOM 407 CB LEU A 31 6.925 2.440 -9.711 1.00 0.00 C ATOM 408 CG LEU A 31 6.569 2.006 -11.134 1.00 0.00 C ATOM 409 CD1 LEU A 31 6.204 3.213 -12.001 1.00 0.00 C ATOM 410 CD2 LEU A 31 7.695 1.176 -11.752 1.00 0.00 C ATOM 0 H LEU A 31 5.464 0.779 -8.506 1.00 0.00 H new ATOM 0 HA LEU A 31 8.256 0.848 -9.348 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.036 2.871 -9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.670 3.234 -9.770 1.00 0.00 H new ATOM 0 HG LEU A 31 5.687 1.367 -11.085 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.955 2.876 -13.007 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.346 3.726 -11.568 1.00 0.00 H new ATOM 0 HD13 LEU A 31 7.051 3.898 -12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 31 7.416 0.880 -12.763 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.608 1.770 -11.786 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.864 0.285 -11.147 1.00 0.00 H new ATOM 422 N TYR A 32 7.309 1.811 -6.429 1.00 0.00 N ATOM 423 CA TYR A 32 7.773 2.282 -5.136 1.00 0.00 C ATOM 424 C TYR A 32 7.096 1.515 -3.998 1.00 0.00 C ATOM 425 O TYR A 32 5.959 1.066 -4.138 1.00 0.00 O ATOM 426 CB TYR A 32 7.369 3.755 -5.053 1.00 0.00 C ATOM 427 CG TYR A 32 7.449 4.498 -6.387 1.00 0.00 C ATOM 428 CD1 TYR A 32 8.654 5.010 -6.822 1.00 0.00 C ATOM 429 CD2 TYR A 32 6.314 4.655 -7.157 1.00 0.00 C ATOM 430 CE1 TYR A 32 8.728 5.710 -8.078 1.00 0.00 C ATOM 431 CE2 TYR A 32 6.388 5.356 -8.414 1.00 0.00 C ATOM 432 CZ TYR A 32 7.592 5.848 -8.812 1.00 0.00 C ATOM 433 OH TYR A 32 7.662 6.508 -9.999 1.00 0.00 O ATOM 0 H TYR A 32 6.359 1.439 -6.432 1.00 0.00 H new ATOM 0 HA TYR A 32 8.849 2.138 -5.039 1.00 0.00 H new ATOM 0 HB2 TYR A 32 6.350 3.821 -4.673 1.00 0.00 H new ATOM 0 HB3 TYR A 32 8.012 4.257 -4.330 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.542 4.886 -6.220 1.00 0.00 H new ATOM 0 HD2 TYR A 32 5.371 4.253 -6.818 1.00 0.00 H new ATOM 0 HE1 TYR A 32 9.665 6.116 -8.429 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.508 5.488 -9.026 1.00 0.00 H new ATOM 0 HH TYR A 32 6.775 6.529 -10.415 1.00 0.00 H new ATOM 443 N ASP A 33 7.823 1.387 -2.898 1.00 0.00 N ATOM 444 CA ASP A 33 7.307 0.681 -1.737 1.00 0.00 C ATOM 445 C ASP A 33 5.992 1.328 -1.297 1.00 0.00 C ATOM 446 O ASP A 33 5.847 2.549 -1.350 1.00 0.00 O ATOM 447 CB ASP A 33 8.287 0.758 -0.565 1.00 0.00 C ATOM 448 CG ASP A 33 8.534 2.165 -0.019 1.00 0.00 C ATOM 449 OD1 ASP A 33 8.541 3.103 -0.847 1.00 0.00 O ATOM 450 OD2 ASP A 33 8.709 2.273 1.214 1.00 0.00 O ATOM 0 H ASP A 33 8.766 1.760 -2.786 1.00 0.00 H new ATOM 0 HA ASP A 33 7.159 -0.363 -2.014 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.912 0.131 0.244 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.241 0.334 -0.880 1.00 0.00 H new ATOM 455 N TYR A 34 5.066 0.481 -0.871 1.00 0.00 N ATOM 456 CA TYR A 34 3.768 0.954 -0.422 1.00 0.00 C ATOM 457 C TYR A 34 3.249 0.107 0.742 1.00 0.00 C ATOM 458 O TYR A 34 3.182 -1.118 0.642 1.00 0.00 O ATOM 459 CB TYR A 34 2.824 0.793 -1.615 1.00 0.00 C ATOM 460 CG TYR A 34 1.426 1.369 -1.383 1.00 0.00 C ATOM 461 CD1 TYR A 34 1.221 2.732 -1.450 1.00 0.00 C ATOM 462 CD2 TYR A 34 0.369 0.526 -1.108 1.00 0.00 C ATOM 463 CE1 TYR A 34 -0.095 3.275 -1.233 1.00 0.00 C ATOM 464 CE2 TYR A 34 -0.947 1.068 -0.890 1.00 0.00 C ATOM 465 CZ TYR A 34 -1.115 2.415 -0.964 1.00 0.00 C ATOM 466 OH TYR A 34 -2.358 2.927 -0.758 1.00 0.00 O ATOM 0 H TYR A 34 5.189 -0.531 -0.827 1.00 0.00 H new ATOM 0 HA TYR A 34 3.834 1.986 -0.078 1.00 0.00 H new ATOM 0 HB2 TYR A 34 3.267 1.280 -2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.734 -0.267 -1.854 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.048 3.392 -1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.529 -0.541 -1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -0.269 4.340 -1.283 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.782 0.419 -0.672 1.00 0.00 H new ATOM 0 HH TYR A 34 -2.960 2.619 -1.467 1.00 0.00 H new ATOM 476 N GLU A 35 2.895 0.793 1.819 1.00 0.00 N ATOM 477 CA GLU A 35 2.384 0.119 3.001 1.00 0.00 C ATOM 478 C GLU A 35 0.967 0.601 3.316 1.00 0.00 C ATOM 479 O GLU A 35 0.710 1.121 4.401 1.00 0.00 O ATOM 480 CB GLU A 35 3.313 0.330 4.198 1.00 0.00 C ATOM 481 CG GLU A 35 3.972 -0.986 4.618 1.00 0.00 C ATOM 482 CD GLU A 35 4.148 -1.050 6.136 1.00 0.00 C ATOM 483 OE1 GLU A 35 3.143 -1.360 6.811 1.00 0.00 O ATOM 484 OE2 GLU A 35 5.283 -0.788 6.589 1.00 0.00 O ATOM 0 H GLU A 35 2.952 1.808 1.898 1.00 0.00 H new ATOM 0 HA GLU A 35 2.346 -0.951 2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.081 1.060 3.943 1.00 0.00 H new ATOM 0 HB3 GLU A 35 2.747 0.741 5.034 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.362 -1.825 4.283 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.942 -1.083 4.131 1.00 0.00 H new ATOM 491 N ALA A 36 0.082 0.413 2.347 1.00 0.00 N ATOM 492 CA ALA A 36 -1.302 0.823 2.507 1.00 0.00 C ATOM 493 C ALA A 36 -1.350 2.169 3.234 1.00 0.00 C ATOM 494 O ALA A 36 -1.503 2.215 4.453 1.00 0.00 O ATOM 495 CB ALA A 36 -2.075 -0.268 3.250 1.00 0.00 C ATOM 0 H ALA A 36 0.298 -0.018 1.448 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.778 0.956 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.114 0.040 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.035 -1.195 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.628 -0.427 4.231 1.00 0.00 H new ATOM 569 N ASP A 41 -6.779 -0.566 0.731 1.00 0.00 N ATOM 570 CA ASP A 41 -5.627 -0.584 -0.156 1.00 0.00 C ATOM 571 C ASP A 41 -4.670 -1.695 0.280 1.00 0.00 C ATOM 572 O ASP A 41 -4.540 -1.976 1.470 1.00 0.00 O ATOM 573 CB ASP A 41 -4.868 0.743 -0.099 1.00 0.00 C ATOM 574 CG ASP A 41 -5.289 1.774 -1.148 1.00 0.00 C ATOM 575 OD1 ASP A 41 -6.105 1.399 -2.017 1.00 0.00 O ATOM 576 OD2 ASP A 41 -4.785 2.915 -1.056 1.00 0.00 O ATOM 0 HA ASP A 41 -5.986 -0.751 -1.172 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -5.002 1.179 0.891 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.803 0.541 -0.217 1.00 0.00 H new ATOM 581 N LEU A 42 -4.026 -2.297 -0.709 1.00 0.00 N ATOM 582 CA LEU A 42 -3.084 -3.372 -0.442 1.00 0.00 C ATOM 583 C LEU A 42 -1.677 -2.789 -0.305 1.00 0.00 C ATOM 584 O LEU A 42 -1.375 -1.744 -0.881 1.00 0.00 O ATOM 585 CB LEU A 42 -3.197 -4.460 -1.512 1.00 0.00 C ATOM 586 CG LEU A 42 -2.557 -5.807 -1.169 1.00 0.00 C ATOM 587 CD1 LEU A 42 -3.448 -6.613 -0.221 1.00 0.00 C ATOM 588 CD2 LEU A 42 -2.214 -6.590 -2.438 1.00 0.00 C ATOM 0 H LEU A 42 -4.137 -2.062 -1.695 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.320 -3.860 0.503 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.253 -4.625 -1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.743 -4.088 -2.430 1.00 0.00 H new ATOM 0 HG LEU A 42 -1.620 -5.616 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.969 -7.566 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.598 -6.053 0.702 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.412 -6.796 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.761 -7.543 -2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.124 -6.771 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.513 -6.014 -3.043 1.00 0.00 H new ATOM 600 N SER A 43 -0.852 -3.490 0.460 1.00 0.00 N ATOM 601 CA SER A 43 0.517 -3.054 0.679 1.00 0.00 C ATOM 602 C SER A 43 1.481 -3.946 -0.105 1.00 0.00 C ATOM 603 O SER A 43 1.259 -5.150 -0.227 1.00 0.00 O ATOM 604 CB SER A 43 0.868 -3.071 2.168 1.00 0.00 C ATOM 605 OG SER A 43 0.565 -4.326 2.773 1.00 0.00 O ATOM 0 H SER A 43 -1.105 -4.356 0.935 1.00 0.00 H new ATOM 0 HA SER A 43 0.611 -2.028 0.323 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.929 -2.855 2.293 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.319 -2.280 2.679 1.00 0.00 H new ATOM 0 HG SER A 43 0.805 -4.298 3.723 1.00 0.00 H new ATOM 611 N PHE A 44 2.532 -3.321 -0.615 1.00 0.00 N ATOM 612 CA PHE A 44 3.532 -4.043 -1.384 1.00 0.00 C ATOM 613 C PHE A 44 4.906 -3.386 -1.250 1.00 0.00 C ATOM 614 O PHE A 44 5.087 -2.476 -0.442 1.00 0.00 O ATOM 615 CB PHE A 44 3.094 -3.989 -2.849 1.00 0.00 C ATOM 616 CG PHE A 44 2.595 -2.615 -3.300 1.00 0.00 C ATOM 617 CD1 PHE A 44 3.479 -1.689 -3.760 1.00 0.00 C ATOM 618 CD2 PHE A 44 1.270 -2.319 -3.240 1.00 0.00 C ATOM 619 CE1 PHE A 44 3.017 -0.413 -4.179 1.00 0.00 C ATOM 620 CE2 PHE A 44 0.807 -1.043 -3.658 1.00 0.00 C ATOM 621 CZ PHE A 44 1.690 -0.117 -4.118 1.00 0.00 C ATOM 0 H PHE A 44 2.713 -2.323 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 44 3.613 -5.068 -1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 44 3.933 -4.284 -3.479 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.303 -4.722 -3.008 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.532 -1.924 -3.807 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.569 -3.054 -2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.718 0.322 -4.546 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -0.246 -0.808 -3.610 1.00 0.00 H new ATOM 0 HZ PHE A 44 1.338 0.854 -4.435 1.00 0.00 H new ATOM 631 N GLN A 45 5.840 -3.872 -2.054 1.00 0.00 N ATOM 632 CA GLN A 45 7.194 -3.344 -2.035 1.00 0.00 C ATOM 633 C GLN A 45 7.642 -2.981 -3.452 1.00 0.00 C ATOM 634 O GLN A 45 7.125 -3.524 -4.428 1.00 0.00 O ATOM 635 CB GLN A 45 8.162 -4.339 -1.391 1.00 0.00 C ATOM 636 CG GLN A 45 7.996 -4.359 0.129 1.00 0.00 C ATOM 637 CD GLN A 45 8.674 -5.589 0.737 1.00 0.00 C ATOM 638 OE1 GLN A 45 8.033 -6.534 1.167 1.00 0.00 O ATOM 639 NE2 GLN A 45 10.002 -5.524 0.750 1.00 0.00 N ATOM 0 H GLN A 45 5.686 -4.626 -2.723 1.00 0.00 H new ATOM 0 HA GLN A 45 7.201 -2.438 -1.430 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.985 -5.337 -1.793 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.187 -4.071 -1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.425 -3.453 0.558 1.00 0.00 H new ATOM 0 HG3 GLN A 45 6.936 -4.360 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.476 -4.703 0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.547 -6.295 1.136 1.00 0.00 H new ATOM 648 N LYS A 46 8.596 -2.066 -3.521 1.00 0.00 N ATOM 649 CA LYS A 46 9.120 -1.624 -4.802 1.00 0.00 C ATOM 650 C LYS A 46 9.807 -2.800 -5.500 1.00 0.00 C ATOM 651 O LYS A 46 10.937 -3.151 -5.165 1.00 0.00 O ATOM 652 CB LYS A 46 10.024 -0.404 -4.620 1.00 0.00 C ATOM 653 CG LYS A 46 10.535 0.106 -5.969 1.00 0.00 C ATOM 654 CD LYS A 46 12.014 -0.236 -6.161 1.00 0.00 C ATOM 655 CE LYS A 46 12.495 0.170 -7.554 1.00 0.00 C ATOM 656 NZ LYS A 46 13.734 -0.557 -7.908 1.00 0.00 N ATOM 0 H LYS A 46 9.021 -1.617 -2.709 1.00 0.00 H new ATOM 0 HA LYS A 46 8.309 -1.296 -5.452 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.474 0.388 -4.112 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.869 -0.665 -3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.949 -0.336 -6.775 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.397 1.186 -6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.610 0.274 -5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.165 -1.306 -6.018 1.00 0.00 H new ATOM 0 HE2 LYS A 46 11.719 -0.043 -8.289 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.676 1.244 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.046 -0.269 -8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.478 -0.333 -7.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.550 -1.581 -7.900 1.00 0.00 H new ATOM 670 N GLY A 47 9.095 -3.376 -6.458 1.00 0.00 N ATOM 671 CA GLY A 47 9.622 -4.504 -7.206 1.00 0.00 C ATOM 672 C GLY A 47 8.694 -5.716 -7.097 1.00 0.00 C ATOM 673 O GLY A 47 8.953 -6.756 -7.700 1.00 0.00 O ATOM 0 H GLY A 47 8.158 -3.082 -6.733 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.742 -4.226 -8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 47 10.611 -4.764 -6.830 1.00 0.00 H new ATOM 677 N ASP A 48 7.632 -5.540 -6.325 1.00 0.00 N ATOM 678 CA ASP A 48 6.663 -6.606 -6.130 1.00 0.00 C ATOM 679 C ASP A 48 5.686 -6.622 -7.307 1.00 0.00 C ATOM 680 O ASP A 48 5.411 -5.583 -7.906 1.00 0.00 O ATOM 681 CB ASP A 48 5.857 -6.389 -4.848 1.00 0.00 C ATOM 682 CG ASP A 48 5.741 -7.617 -3.941 1.00 0.00 C ATOM 683 OD1 ASP A 48 5.616 -8.726 -4.503 1.00 0.00 O ATOM 684 OD2 ASP A 48 5.782 -7.416 -2.709 1.00 0.00 O ATOM 0 H ASP A 48 7.421 -4.675 -5.827 1.00 0.00 H new ATOM 0 HA ASP A 48 7.207 -7.548 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.316 -5.579 -4.281 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.854 -6.060 -5.119 1.00 0.00 H new ATOM 689 N GLN A 49 5.187 -7.814 -7.603 1.00 0.00 N ATOM 690 CA GLN A 49 4.246 -7.979 -8.698 1.00 0.00 C ATOM 691 C GLN A 49 2.856 -8.320 -8.156 1.00 0.00 C ATOM 692 O GLN A 49 2.728 -9.088 -7.204 1.00 0.00 O ATOM 693 CB GLN A 49 4.729 -9.049 -9.679 1.00 0.00 C ATOM 694 CG GLN A 49 6.069 -8.655 -10.303 1.00 0.00 C ATOM 695 CD GLN A 49 5.928 -8.435 -11.811 1.00 0.00 C ATOM 696 OE1 GLN A 49 6.382 -9.224 -12.624 1.00 0.00 O ATOM 697 NE2 GLN A 49 5.277 -7.322 -12.137 1.00 0.00 N ATOM 0 H GLN A 49 5.417 -8.674 -7.104 1.00 0.00 H new ATOM 0 HA GLN A 49 4.182 -7.036 -9.242 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.831 -10.003 -9.161 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.986 -9.190 -10.464 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.440 -7.745 -9.832 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.806 -9.435 -10.113 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.923 -6.705 -11.406 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.132 -7.085 -13.118 1.00 0.00 H new ATOM 706 N MET A 50 1.850 -7.732 -8.786 1.00 0.00 N ATOM 707 CA MET A 50 0.474 -7.963 -8.378 1.00 0.00 C ATOM 708 C MET A 50 -0.412 -8.265 -9.589 1.00 0.00 C ATOM 709 O MET A 50 -0.189 -7.731 -10.674 1.00 0.00 O ATOM 710 CB MET A 50 -0.058 -6.728 -7.650 1.00 0.00 C ATOM 711 CG MET A 50 0.892 -6.301 -6.529 1.00 0.00 C ATOM 712 SD MET A 50 0.461 -4.667 -5.953 1.00 0.00 S ATOM 713 CE MET A 50 1.897 -3.758 -6.500 1.00 0.00 C ATOM 0 H MET A 50 1.960 -7.096 -9.576 1.00 0.00 H new ATOM 0 HA MET A 50 0.452 -8.825 -7.711 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.182 -5.909 -8.358 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.043 -6.942 -7.235 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.838 -7.012 -5.705 1.00 0.00 H new ATOM 0 HG3 MET A 50 1.920 -6.309 -6.890 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.852 -2.740 -6.113 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.799 -4.247 -6.132 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.918 -3.732 -7.589 1.00 0.00 H new ATOM 723 N VAL A 51 -1.400 -9.117 -9.361 1.00 0.00 N ATOM 724 CA VAL A 51 -2.322 -9.496 -10.419 1.00 0.00 C ATOM 725 C VAL A 51 -3.548 -8.583 -10.372 1.00 0.00 C ATOM 726 O VAL A 51 -4.478 -8.825 -9.605 1.00 0.00 O ATOM 727 CB VAL A 51 -2.676 -10.980 -10.298 1.00 0.00 C ATOM 728 CG1 VAL A 51 -3.857 -11.337 -11.204 1.00 0.00 C ATOM 729 CG2 VAL A 51 -1.463 -11.860 -10.605 1.00 0.00 C ATOM 0 H VAL A 51 -1.583 -9.556 -8.459 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.857 -9.365 -11.396 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.975 -11.171 -9.267 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.088 -12.397 -11.099 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.727 -10.746 -10.918 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.598 -11.123 -12.241 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.742 -12.910 -10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.120 -11.665 -11.621 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.662 -11.634 -9.901 1.00 0.00 H new ATOM 739 N VAL A 52 -3.509 -7.550 -11.202 1.00 0.00 N ATOM 740 CA VAL A 52 -4.606 -6.599 -11.265 1.00 0.00 C ATOM 741 C VAL A 52 -5.878 -7.322 -11.713 1.00 0.00 C ATOM 742 O VAL A 52 -5.927 -7.874 -12.812 1.00 0.00 O ATOM 743 CB VAL A 52 -4.231 -5.428 -12.175 1.00 0.00 C ATOM 744 CG1 VAL A 52 -5.479 -4.674 -12.640 1.00 0.00 C ATOM 745 CG2 VAL A 52 -3.248 -4.486 -11.479 1.00 0.00 C ATOM 0 H VAL A 52 -2.735 -7.351 -11.836 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.803 -6.177 -10.279 1.00 0.00 H new ATOM 0 HB VAL A 52 -3.737 -5.834 -13.058 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -5.185 -3.846 -13.285 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.129 -5.352 -13.193 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.014 -4.286 -11.773 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.998 -3.662 -12.148 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.704 -4.091 -10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.341 -5.032 -11.221 1.00 0.00 H new ATOM 755 N LEU A 53 -6.873 -7.297 -10.840 1.00 0.00 N ATOM 756 CA LEU A 53 -8.141 -7.943 -11.132 1.00 0.00 C ATOM 757 C LEU A 53 -9.157 -6.887 -11.577 1.00 0.00 C ATOM 758 O LEU A 53 -9.758 -7.011 -12.643 1.00 0.00 O ATOM 759 CB LEU A 53 -8.606 -8.777 -9.937 1.00 0.00 C ATOM 760 CG LEU A 53 -7.513 -9.539 -9.185 1.00 0.00 C ATOM 761 CD1 LEU A 53 -8.041 -10.090 -7.860 1.00 0.00 C ATOM 762 CD2 LEU A 53 -6.909 -10.637 -10.063 1.00 0.00 C ATOM 0 H LEU A 53 -6.827 -6.839 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.028 -8.646 -11.957 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -9.111 -8.116 -9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -9.347 -9.496 -10.287 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.712 -8.840 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -7.244 -10.627 -7.346 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -8.385 -9.266 -7.235 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.871 -10.770 -8.053 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.135 -11.164 -9.505 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -7.689 -11.341 -10.354 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.472 -10.190 -10.956 1.00 0.00 H new ATOM 774 N GLU A 54 -9.315 -5.875 -10.739 1.00 0.00 N ATOM 775 CA GLU A 54 -10.246 -4.799 -11.032 1.00 0.00 C ATOM 776 C GLU A 54 -9.489 -3.492 -11.272 1.00 0.00 C ATOM 777 O GLU A 54 -8.654 -3.095 -10.462 1.00 0.00 O ATOM 778 CB GLU A 54 -11.272 -4.639 -9.908 1.00 0.00 C ATOM 779 CG GLU A 54 -12.061 -5.933 -9.697 1.00 0.00 C ATOM 780 CD GLU A 54 -13.540 -5.734 -10.034 1.00 0.00 C ATOM 781 OE1 GLU A 54 -13.820 -5.457 -11.220 1.00 0.00 O ATOM 782 OE2 GLU A 54 -14.357 -5.864 -9.098 1.00 0.00 O ATOM 0 H GLU A 54 -8.814 -5.777 -9.856 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.789 -5.054 -11.942 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.764 -4.364 -8.984 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.957 -3.826 -10.149 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.645 -6.723 -10.322 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.961 -6.260 -8.662 1.00 0.00 H new ATOM 822 N GLU A 58 -8.022 4.823 -10.846 1.00 0.00 N ATOM 823 CA GLU A 58 -6.580 4.872 -10.671 1.00 0.00 C ATOM 824 C GLU A 58 -6.096 3.639 -9.905 1.00 0.00 C ATOM 825 O GLU A 58 -5.206 2.928 -10.368 1.00 0.00 O ATOM 826 CB GLU A 58 -6.157 6.160 -9.961 1.00 0.00 C ATOM 827 CG GLU A 58 -6.731 7.389 -10.668 1.00 0.00 C ATOM 828 CD GLU A 58 -7.272 8.401 -9.655 1.00 0.00 C ATOM 829 OE1 GLU A 58 -6.928 8.251 -8.463 1.00 0.00 O ATOM 830 OE2 GLU A 58 -8.019 9.301 -10.096 1.00 0.00 O ATOM 0 HA GLU A 58 -6.114 4.870 -11.656 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.499 6.138 -8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.069 6.225 -9.936 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.958 7.857 -11.277 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.529 7.084 -11.345 1.00 0.00 H new ATOM 837 N TRP A 59 -6.704 3.425 -8.747 1.00 0.00 N ATOM 838 CA TRP A 59 -6.346 2.290 -7.914 1.00 0.00 C ATOM 839 C TRP A 59 -7.028 1.047 -8.487 1.00 0.00 C ATOM 840 O TRP A 59 -8.198 1.095 -8.863 1.00 0.00 O ATOM 841 CB TRP A 59 -6.708 2.549 -6.450 1.00 0.00 C ATOM 842 CG TRP A 59 -6.225 3.900 -5.918 1.00 0.00 C ATOM 843 CD1 TRP A 59 -6.691 5.120 -6.220 1.00 0.00 C ATOM 844 CD2 TRP A 59 -5.156 4.120 -4.974 1.00 0.00 C ATOM 845 NE1 TRP A 59 -6.003 6.106 -5.542 1.00 0.00 N ATOM 846 CE2 TRP A 59 -5.040 5.478 -4.760 1.00 0.00 C ATOM 847 CE3 TRP A 59 -4.316 3.201 -4.321 1.00 0.00 C ATOM 848 CZ2 TRP A 59 -4.095 6.040 -3.894 1.00 0.00 C ATOM 849 CZ3 TRP A 59 -3.376 3.778 -3.459 1.00 0.00 C ATOM 850 CH2 TRP A 59 -3.247 5.144 -3.233 1.00 0.00 C ATOM 0 H TRP A 59 -7.442 4.018 -8.367 1.00 0.00 H new ATOM 0 HA TRP A 59 -5.268 2.130 -7.924 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -7.791 2.493 -6.339 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -6.283 1.755 -5.836 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -7.503 5.308 -6.907 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -6.170 7.110 -5.603 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.390 2.134 -4.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.024 7.107 -3.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -2.704 3.116 -2.933 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.496 5.512 -2.550 1.00 0.00 H new ATOM 861 N TRP A 60 -6.267 -0.037 -8.539 1.00 0.00 N ATOM 862 CA TRP A 60 -6.783 -1.290 -9.061 1.00 0.00 C ATOM 863 C TRP A 60 -6.684 -2.341 -7.953 1.00 0.00 C ATOM 864 O TRP A 60 -5.820 -2.250 -7.082 1.00 0.00 O ATOM 865 CB TRP A 60 -6.047 -1.697 -10.338 1.00 0.00 C ATOM 866 CG TRP A 60 -5.799 -0.541 -11.309 1.00 0.00 C ATOM 867 CD1 TRP A 60 -6.585 0.517 -11.549 1.00 0.00 C ATOM 868 CD2 TRP A 60 -4.651 -0.369 -12.166 1.00 0.00 C ATOM 869 NE1 TRP A 60 -6.030 1.356 -12.495 1.00 0.00 N ATOM 870 CE2 TRP A 60 -4.816 0.800 -12.882 1.00 0.00 C ATOM 871 CE3 TRP A 60 -3.510 -1.174 -12.332 1.00 0.00 C ATOM 872 CZ2 TRP A 60 -3.880 1.269 -13.812 1.00 0.00 C ATOM 873 CZ3 TRP A 60 -2.585 -0.692 -13.265 1.00 0.00 C ATOM 874 CH2 TRP A 60 -2.736 0.483 -13.993 1.00 0.00 C ATOM 0 H TRP A 60 -5.296 -0.073 -8.228 1.00 0.00 H new ATOM 0 HA TRP A 60 -7.829 -1.185 -9.349 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -5.090 -2.142 -10.067 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -6.624 -2.468 -10.848 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -7.534 0.692 -11.063 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -6.436 2.224 -12.845 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.359 -2.092 -11.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -4.032 2.187 -14.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -1.690 -1.274 -13.431 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -1.974 0.788 -14.695 1.00 0.00 H new ATOM 885 N LYS A 61 -7.580 -3.313 -8.022 1.00 0.00 N ATOM 886 CA LYS A 61 -7.606 -4.380 -7.035 1.00 0.00 C ATOM 887 C LYS A 61 -6.786 -5.565 -7.551 1.00 0.00 C ATOM 888 O LYS A 61 -7.286 -6.379 -8.325 1.00 0.00 O ATOM 889 CB LYS A 61 -9.047 -4.741 -6.672 1.00 0.00 C ATOM 890 CG LYS A 61 -9.086 -5.787 -5.557 1.00 0.00 C ATOM 891 CD LYS A 61 -10.088 -6.897 -5.880 1.00 0.00 C ATOM 892 CE LYS A 61 -10.737 -7.438 -4.604 1.00 0.00 C ATOM 893 NZ LYS A 61 -12.089 -7.966 -4.895 1.00 0.00 N ATOM 0 H LYS A 61 -8.294 -3.385 -8.746 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.142 -4.050 -6.105 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.581 -3.845 -6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.563 -5.124 -7.553 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.093 -6.217 -5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -9.358 -5.310 -4.615 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.858 -6.513 -6.549 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.582 -7.706 -6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -10.116 -8.226 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.802 -6.646 -3.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.516 -8.329 -4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -12.684 -7.205 -5.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.019 -8.736 -5.591 1.00 0.00 H new ATOM 907 N ALA A 62 -5.541 -5.623 -7.100 1.00 0.00 N ATOM 908 CA ALA A 62 -4.648 -6.695 -7.507 1.00 0.00 C ATOM 909 C ALA A 62 -4.296 -7.549 -6.288 1.00 0.00 C ATOM 910 O ALA A 62 -4.520 -7.137 -5.150 1.00 0.00 O ATOM 911 CB ALA A 62 -3.410 -6.099 -8.180 1.00 0.00 C ATOM 0 H ALA A 62 -5.130 -4.946 -6.457 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.133 -7.345 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.740 -6.902 -8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.713 -5.526 -9.056 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.894 -5.443 -7.478 1.00 0.00 H new ATOM 917 N ARG A 63 -3.747 -8.723 -6.566 1.00 0.00 N ATOM 918 CA ARG A 63 -3.362 -9.639 -5.506 1.00 0.00 C ATOM 919 C ARG A 63 -1.840 -9.795 -5.468 1.00 0.00 C ATOM 920 O ARG A 63 -1.224 -10.159 -6.469 1.00 0.00 O ATOM 921 CB ARG A 63 -4.005 -11.013 -5.704 1.00 0.00 C ATOM 922 CG ARG A 63 -3.211 -12.099 -4.976 1.00 0.00 C ATOM 923 CD ARG A 63 -2.383 -12.927 -5.961 1.00 0.00 C ATOM 924 NE ARG A 63 -3.279 -13.685 -6.863 1.00 0.00 N ATOM 925 CZ ARG A 63 -2.851 -14.464 -7.865 1.00 0.00 C ATOM 926 NH1 ARG A 63 -1.538 -14.592 -8.101 1.00 0.00 N ATOM 927 NH2 ARG A 63 -3.736 -15.116 -8.632 1.00 0.00 N ATOM 0 H ARG A 63 -3.560 -9.061 -7.510 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.712 -9.221 -4.562 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -5.030 -10.996 -5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.055 -11.245 -6.768 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.553 -11.640 -4.238 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.894 -12.751 -4.432 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.735 -12.273 -6.544 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -1.735 -13.614 -5.417 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.285 -13.609 -6.712 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.864 -14.096 -7.517 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -1.212 -15.185 -8.864 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -4.735 -15.019 -8.453 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.410 -15.709 -9.395 1.00 0.00 H new ATOM 941 N SER A 64 -1.277 -9.514 -4.302 1.00 0.00 N ATOM 942 CA SER A 64 0.161 -9.619 -4.120 1.00 0.00 C ATOM 943 C SER A 64 0.634 -11.023 -4.499 1.00 0.00 C ATOM 944 O SER A 64 0.040 -12.016 -4.081 1.00 0.00 O ATOM 945 CB SER A 64 0.559 -9.295 -2.679 1.00 0.00 C ATOM 946 OG SER A 64 1.964 -9.093 -2.545 1.00 0.00 O ATOM 0 H SER A 64 -1.791 -9.214 -3.474 1.00 0.00 H new ATOM 0 HA SER A 64 0.643 -8.891 -4.773 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.031 -8.400 -2.350 1.00 0.00 H new ATOM 0 HB3 SER A 64 0.246 -10.109 -2.025 1.00 0.00 H new ATOM 0 HG SER A 64 2.177 -8.887 -1.611 1.00 0.00 H new ATOM 952 N LEU A 65 1.701 -11.062 -5.285 1.00 0.00 N ATOM 953 CA LEU A 65 2.261 -12.329 -5.724 1.00 0.00 C ATOM 954 C LEU A 65 3.303 -12.799 -4.709 1.00 0.00 C ATOM 955 O LEU A 65 4.185 -13.591 -5.040 1.00 0.00 O ATOM 956 CB LEU A 65 2.802 -12.209 -7.150 1.00 0.00 C ATOM 957 CG LEU A 65 1.783 -12.418 -8.273 1.00 0.00 C ATOM 958 CD1 LEU A 65 0.722 -11.317 -8.263 1.00 0.00 C ATOM 959 CD2 LEU A 65 2.479 -12.531 -9.631 1.00 0.00 C ATOM 0 H LEU A 65 2.192 -10.237 -5.629 1.00 0.00 H new ATOM 0 HA LEU A 65 1.487 -13.095 -5.764 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.245 -11.220 -7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.605 -12.935 -7.275 1.00 0.00 H new ATOM 0 HG LEU A 65 1.268 -13.362 -8.095 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.011 -11.490 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.196 -11.327 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.202 -10.348 -8.403 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.732 -12.679 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.037 -11.616 -9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.164 -13.378 -9.619 1.00 0.00 H new ATOM 971 N ALA A 66 3.171 -12.291 -3.492 1.00 0.00 N ATOM 972 CA ALA A 66 4.091 -12.649 -2.426 1.00 0.00 C ATOM 973 C ALA A 66 3.301 -13.226 -1.249 1.00 0.00 C ATOM 974 O ALA A 66 3.740 -14.181 -0.612 1.00 0.00 O ATOM 975 CB ALA A 66 4.916 -11.424 -2.031 1.00 0.00 C ATOM 0 H ALA A 66 2.440 -11.634 -3.221 1.00 0.00 H new ATOM 0 HA ALA A 66 4.789 -13.416 -2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 66 5.606 -11.693 -1.231 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.480 -11.072 -2.894 1.00 0.00 H new ATOM 0 HB3 ALA A 66 4.250 -10.633 -1.685 1.00 0.00 H new ATOM 981 N THR A 67 2.150 -12.620 -0.997 1.00 0.00 N ATOM 982 CA THR A 67 1.295 -13.061 0.093 1.00 0.00 C ATOM 983 C THR A 67 -0.036 -13.581 -0.452 1.00 0.00 C ATOM 984 O THR A 67 -0.818 -14.182 0.282 1.00 0.00 O ATOM 985 CB THR A 67 1.139 -11.896 1.072 1.00 0.00 C ATOM 986 OG1 THR A 67 0.645 -10.830 0.266 1.00 0.00 O ATOM 987 CG2 THR A 67 2.484 -11.381 1.589 1.00 0.00 C ATOM 0 H THR A 67 1.789 -11.828 -1.528 1.00 0.00 H new ATOM 0 HA THR A 67 1.739 -13.898 0.631 1.00 0.00 H new ATOM 0 HB THR A 67 0.523 -12.210 1.915 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.810 -9.976 0.716 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.316 -10.555 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.007 -12.185 2.106 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.088 -11.035 0.750 1.00 0.00 H new ATOM 995 N ARG A 68 -0.253 -13.330 -1.734 1.00 0.00 N ATOM 996 CA ARG A 68 -1.477 -13.765 -2.385 1.00 0.00 C ATOM 997 C ARG A 68 -2.677 -12.995 -1.829 1.00 0.00 C ATOM 998 O ARG A 68 -3.817 -13.440 -1.957 1.00 0.00 O ATOM 999 CB ARG A 68 -1.705 -15.265 -2.185 1.00 0.00 C ATOM 1000 CG ARG A 68 -0.490 -16.071 -2.652 1.00 0.00 C ATOM 1001 CD ARG A 68 -0.893 -17.496 -3.036 1.00 0.00 C ATOM 1002 NE ARG A 68 0.253 -18.413 -2.853 1.00 0.00 N ATOM 1003 CZ ARG A 68 1.279 -18.514 -3.710 1.00 0.00 C ATOM 1004 NH1 ARG A 68 1.306 -17.757 -4.814 1.00 0.00 N ATOM 1005 NH2 ARG A 68 2.276 -19.375 -3.461 1.00 0.00 N ATOM 0 H ARG A 68 0.398 -12.831 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.374 -13.564 -3.451 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.899 -15.470 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.589 -15.579 -2.739 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.028 -15.577 -3.507 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.257 -16.102 -1.859 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -1.732 -17.823 -2.422 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.227 -17.521 -4.073 1.00 0.00 H new ATOM 0 HE ARG A 68 0.263 -19.006 -2.023 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.546 -17.103 -5.003 1.00 0.00 H new ATOM 0 HH12 ARG A 68 2.087 -17.834 -5.466 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.253 -19.952 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 68 3.057 -19.453 -4.112 1.00 0.00 H new ATOM 1019 N LYS A 69 -2.379 -11.855 -1.223 1.00 0.00 N ATOM 1020 CA LYS A 69 -3.419 -11.020 -0.648 1.00 0.00 C ATOM 1021 C LYS A 69 -4.240 -10.386 -1.772 1.00 0.00 C ATOM 1022 O LYS A 69 -3.969 -10.618 -2.949 1.00 0.00 O ATOM 1023 CB LYS A 69 -2.813 -10.002 0.321 1.00 0.00 C ATOM 1024 CG LYS A 69 -2.415 -10.669 1.639 1.00 0.00 C ATOM 1025 CD LYS A 69 -1.545 -9.736 2.485 1.00 0.00 C ATOM 1026 CE LYS A 69 -0.724 -10.526 3.505 1.00 0.00 C ATOM 1027 NZ LYS A 69 -1.186 -10.233 4.880 1.00 0.00 N ATOM 0 H LYS A 69 -1.432 -11.490 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.106 -11.623 -0.054 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.938 -9.537 -0.134 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.532 -9.206 0.515 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.310 -10.943 2.197 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.872 -11.592 1.434 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.877 -9.169 1.837 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.177 -9.014 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.814 -11.594 3.305 1.00 0.00 H new ATOM 0 HE3 LYS A 69 0.331 -10.271 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.618 -10.777 5.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.078 -9.217 5.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.187 -10.499 4.974 1.00 0.00 H new ATOM 1041 N GLU A 70 -5.226 -9.597 -1.370 1.00 0.00 N ATOM 1042 CA GLU A 70 -6.087 -8.928 -2.330 1.00 0.00 C ATOM 1043 C GLU A 70 -6.551 -7.580 -1.776 1.00 0.00 C ATOM 1044 O GLU A 70 -7.120 -7.514 -0.687 1.00 0.00 O ATOM 1045 CB GLU A 70 -7.282 -9.809 -2.701 1.00 0.00 C ATOM 1046 CG GLU A 70 -6.916 -10.788 -3.818 1.00 0.00 C ATOM 1047 CD GLU A 70 -8.002 -11.852 -3.992 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -9.160 -11.446 -4.229 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -7.649 -13.046 -3.886 1.00 0.00 O ATOM 0 H GLU A 70 -5.447 -9.406 -0.393 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.514 -8.748 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.617 -10.362 -1.823 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.115 -9.183 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.781 -10.244 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.965 -11.268 -3.588 1.00 0.00 H new ATOM 1056 N GLY A 71 -6.290 -6.537 -2.550 1.00 0.00 N ATOM 1057 CA GLY A 71 -6.674 -5.193 -2.151 1.00 0.00 C ATOM 1058 C GLY A 71 -6.349 -4.181 -3.251 1.00 0.00 C ATOM 1059 O GLY A 71 -5.646 -4.502 -4.207 1.00 0.00 O ATOM 0 H GLY A 71 -5.817 -6.595 -3.452 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.741 -5.166 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -6.152 -4.919 -1.234 1.00 0.00 H new ATOM 1063 N TYR A 72 -6.875 -2.977 -3.078 1.00 0.00 N ATOM 1064 CA TYR A 72 -6.650 -1.915 -4.043 1.00 0.00 C ATOM 1065 C TYR A 72 -5.227 -1.362 -3.927 1.00 0.00 C ATOM 1066 O TYR A 72 -4.717 -1.182 -2.823 1.00 0.00 O ATOM 1067 CB TYR A 72 -7.645 -0.807 -3.692 1.00 0.00 C ATOM 1068 CG TYR A 72 -9.106 -1.178 -3.957 1.00 0.00 C ATOM 1069 CD1 TYR A 72 -9.462 -1.775 -5.149 1.00 0.00 C ATOM 1070 CD2 TYR A 72 -10.068 -0.914 -3.004 1.00 0.00 C ATOM 1071 CE1 TYR A 72 -10.836 -2.124 -5.398 1.00 0.00 C ATOM 1072 CE2 TYR A 72 -11.443 -1.262 -3.253 1.00 0.00 C ATOM 1073 CZ TYR A 72 -11.759 -1.849 -4.437 1.00 0.00 C ATOM 1074 OH TYR A 72 -13.058 -2.178 -4.673 1.00 0.00 O ATOM 0 H TYR A 72 -7.457 -2.714 -2.283 1.00 0.00 H new ATOM 0 HA TYR A 72 -6.780 -2.286 -5.059 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -7.531 -0.550 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -7.397 0.086 -4.266 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.709 -1.981 -5.896 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.790 -0.446 -2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -11.128 -2.593 -6.326 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.206 -1.061 -2.515 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.605 -1.925 -3.900 1.00 0.00 H new ATOM 1084 N ILE A 73 -4.630 -1.108 -5.082 1.00 0.00 N ATOM 1085 CA ILE A 73 -3.277 -0.579 -5.124 1.00 0.00 C ATOM 1086 C ILE A 73 -3.220 0.586 -6.114 1.00 0.00 C ATOM 1087 O ILE A 73 -3.989 0.628 -7.072 1.00 0.00 O ATOM 1088 CB ILE A 73 -2.275 -1.694 -5.428 1.00 0.00 C ATOM 1089 CG1 ILE A 73 -2.659 -2.443 -6.706 1.00 0.00 C ATOM 1090 CG2 ILE A 73 -2.124 -2.639 -4.234 1.00 0.00 C ATOM 1091 CD1 ILE A 73 -1.532 -2.380 -7.739 1.00 0.00 C ATOM 0 H ILE A 73 -5.058 -1.259 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.992 -0.183 -4.149 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.300 -1.238 -5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.882 -3.483 -6.469 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.567 -2.010 -7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -1.406 -3.422 -4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.770 -2.078 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.089 -3.091 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.831 -2.920 -8.637 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.328 -1.340 -7.992 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.633 -2.835 -7.324 1.00 0.00 H new ATOM 1103 N PRO A 74 -2.278 1.528 -5.840 1.00 0.00 N ATOM 1104 CA PRO A 74 -2.110 2.689 -6.695 1.00 0.00 C ATOM 1105 C PRO A 74 -1.406 2.314 -8.001 1.00 0.00 C ATOM 1106 O PRO A 74 -0.379 1.637 -7.983 1.00 0.00 O ATOM 1107 CB PRO A 74 -1.320 3.684 -5.859 1.00 0.00 C ATOM 1108 CG PRO A 74 -0.676 2.872 -4.747 1.00 0.00 C ATOM 1109 CD PRO A 74 -1.349 1.510 -4.714 1.00 0.00 C ATOM 0 HA PRO A 74 -3.061 3.119 -7.009 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.565 4.189 -6.462 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.972 4.457 -5.452 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.394 2.765 -4.924 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -0.792 3.378 -3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -0.620 0.706 -4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.872 1.350 -3.771 1.00 0.00 H new ATOM 1117 N SER A 75 -1.987 2.768 -9.101 1.00 0.00 N ATOM 1118 CA SER A 75 -1.428 2.488 -10.413 1.00 0.00 C ATOM 1119 C SER A 75 -0.210 3.381 -10.665 1.00 0.00 C ATOM 1120 O SER A 75 0.676 3.024 -11.439 1.00 0.00 O ATOM 1121 CB SER A 75 -2.472 2.692 -11.512 1.00 0.00 C ATOM 1122 OG SER A 75 -1.883 3.135 -12.732 1.00 0.00 O ATOM 0 H SER A 75 -2.839 3.328 -9.111 1.00 0.00 H new ATOM 0 HA SER A 75 -1.116 1.444 -10.436 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.004 1.756 -11.685 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.210 3.422 -11.180 1.00 0.00 H new ATOM 0 HG SER A 75 -2.141 2.530 -13.458 1.00 0.00 H new ATOM 1128 N ASN A 76 -0.207 4.524 -9.995 1.00 0.00 N ATOM 1129 CA ASN A 76 0.887 5.471 -10.137 1.00 0.00 C ATOM 1130 C ASN A 76 2.112 4.943 -9.390 1.00 0.00 C ATOM 1131 O ASN A 76 3.177 5.558 -9.424 1.00 0.00 O ATOM 1132 CB ASN A 76 0.518 6.831 -9.540 1.00 0.00 C ATOM 1133 CG ASN A 76 0.659 6.817 -8.017 1.00 0.00 C ATOM 1134 OD1 ASN A 76 0.623 5.782 -7.372 1.00 0.00 O ATOM 1135 ND2 ASN A 76 0.824 8.022 -7.478 1.00 0.00 N ATOM 0 H ASN A 76 -0.944 4.816 -9.353 1.00 0.00 H new ATOM 0 HA ASN A 76 1.096 5.589 -11.200 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.161 7.604 -9.961 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.506 7.086 -9.812 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.930 8.119 -6.468 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.845 8.849 -8.075 1.00 0.00 H new ATOM 1142 N TYR A 77 1.921 3.809 -8.731 1.00 0.00 N ATOM 1143 CA TYR A 77 2.998 3.191 -7.977 1.00 0.00 C ATOM 1144 C TYR A 77 3.350 1.817 -8.548 1.00 0.00 C ATOM 1145 O TYR A 77 4.066 1.042 -7.916 1.00 0.00 O ATOM 1146 CB TYR A 77 2.470 3.017 -6.552 1.00 0.00 C ATOM 1147 CG TYR A 77 3.097 3.972 -5.534 1.00 0.00 C ATOM 1148 CD1 TYR A 77 3.131 5.327 -5.788 1.00 0.00 C ATOM 1149 CD2 TYR A 77 3.629 3.476 -4.361 1.00 0.00 C ATOM 1150 CE1 TYR A 77 3.722 6.225 -4.831 1.00 0.00 C ATOM 1151 CE2 TYR A 77 4.220 4.374 -3.402 1.00 0.00 C ATOM 1152 CZ TYR A 77 4.236 5.705 -3.685 1.00 0.00 C ATOM 1153 OH TYR A 77 4.795 6.553 -2.780 1.00 0.00 O ATOM 0 H TYR A 77 1.036 3.302 -8.704 1.00 0.00 H new ATOM 0 HA TYR A 77 3.896 3.807 -8.018 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.390 3.164 -6.555 1.00 0.00 H new ATOM 0 HB3 TYR A 77 2.651 1.991 -6.231 1.00 0.00 H new ATOM 0 HD1 TYR A 77 2.714 5.715 -6.706 1.00 0.00 H new ATOM 0 HD2 TYR A 77 3.602 2.415 -4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.756 7.288 -5.019 1.00 0.00 H new ATOM 0 HE2 TYR A 77 4.640 4.000 -2.480 1.00 0.00 H new ATOM 0 HH TYR A 77 4.508 7.470 -2.970 1.00 0.00 H new ATOM 1163 N VAL A 78 2.831 1.557 -9.740 1.00 0.00 N ATOM 1164 CA VAL A 78 3.082 0.289 -10.404 1.00 0.00 C ATOM 1165 C VAL A 78 3.353 0.541 -11.889 1.00 0.00 C ATOM 1166 O VAL A 78 3.148 1.649 -12.381 1.00 0.00 O ATOM 1167 CB VAL A 78 1.913 -0.668 -10.164 1.00 0.00 C ATOM 1168 CG1 VAL A 78 1.600 -0.789 -8.671 1.00 0.00 C ATOM 1169 CG2 VAL A 78 0.675 -0.229 -10.950 1.00 0.00 C ATOM 0 H VAL A 78 2.238 2.202 -10.262 1.00 0.00 H new ATOM 0 HA VAL A 78 3.968 -0.191 -9.988 1.00 0.00 H new ATOM 0 HB VAL A 78 2.208 -1.653 -10.525 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.765 -1.475 -8.529 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.476 -1.169 -8.145 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.336 0.191 -8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.142 -0.926 -10.762 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.379 0.771 -10.633 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.905 -0.219 -12.015 1.00 0.00 H new ATOM 1179 N ALA A 79 3.811 -0.505 -12.560 1.00 0.00 N ATOM 1180 CA ALA A 79 4.113 -0.412 -13.979 1.00 0.00 C ATOM 1181 C ALA A 79 3.998 -1.798 -14.613 1.00 0.00 C ATOM 1182 O ALA A 79 4.820 -2.675 -14.351 1.00 0.00 O ATOM 1183 CB ALA A 79 5.502 0.202 -14.166 1.00 0.00 C ATOM 0 H ALA A 79 3.981 -1.422 -12.147 1.00 0.00 H new ATOM 0 HA ALA A 79 3.398 0.240 -14.481 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.729 0.272 -15.230 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.522 1.198 -13.725 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.246 -0.426 -13.677 1.00 0.00 H new ATOM 1189 N ARG A 80 2.971 -1.955 -15.436 1.00 0.00 N ATOM 1190 CA ARG A 80 2.738 -3.220 -16.110 1.00 0.00 C ATOM 1191 C ARG A 80 4.068 -3.861 -16.511 1.00 0.00 C ATOM 1192 O ARG A 80 4.975 -3.174 -16.980 1.00 0.00 O ATOM 1193 CB ARG A 80 1.875 -3.029 -17.358 1.00 0.00 C ATOM 1194 CG ARG A 80 0.408 -3.354 -17.066 1.00 0.00 C ATOM 1195 CD ARG A 80 -0.245 -4.061 -18.255 1.00 0.00 C ATOM 1196 NE ARG A 80 -1.344 -3.230 -18.797 1.00 0.00 N ATOM 1197 CZ ARG A 80 -2.060 -3.549 -19.884 1.00 0.00 C ATOM 1198 NH1 ARG A 80 -1.799 -4.681 -20.551 1.00 0.00 N ATOM 1199 NH2 ARG A 80 -3.040 -2.735 -20.302 1.00 0.00 N ATOM 0 H ARG A 80 2.291 -1.226 -15.651 1.00 0.00 H new ATOM 0 HA ARG A 80 2.211 -3.873 -15.415 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.960 -2.001 -17.709 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.241 -3.671 -18.159 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.341 -3.987 -16.181 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.134 -2.435 -16.842 1.00 0.00 H new ATOM 0 HD2 ARG A 80 0.498 -4.247 -19.031 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.631 -5.032 -17.944 1.00 0.00 H new ATOM 0 HE ARG A 80 -1.570 -2.361 -18.313 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.055 -5.301 -20.232 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -2.345 -4.923 -21.378 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -3.240 -1.874 -19.793 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -3.586 -2.977 -21.129 1.00 0.00 H new ATOM 1213 N VAL A 81 4.143 -5.169 -16.314 1.00 0.00 N ATOM 1214 CA VAL A 81 5.347 -5.909 -16.650 1.00 0.00 C ATOM 1215 C VAL A 81 5.637 -5.752 -18.143 1.00 0.00 C ATOM 1216 O VAL A 81 6.795 -5.749 -18.558 1.00 0.00 O ATOM 1217 CB VAL A 81 5.200 -7.370 -16.220 1.00 0.00 C ATOM 1218 CG1 VAL A 81 4.839 -8.258 -17.413 1.00 0.00 C ATOM 1219 CG2 VAL A 81 6.471 -7.869 -15.529 1.00 0.00 C ATOM 0 H VAL A 81 3.389 -5.735 -15.926 1.00 0.00 H new ATOM 0 HA VAL A 81 6.204 -5.509 -16.109 1.00 0.00 H new ATOM 0 HB VAL A 81 4.384 -7.427 -15.500 1.00 0.00 H new ATOM 0 HG11 VAL A 81 4.740 -9.291 -17.081 1.00 0.00 H new ATOM 0 HG12 VAL A 81 3.895 -7.923 -17.843 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.624 -8.193 -18.166 1.00 0.00 H new ATOM 0 HG21 VAL A 81 6.340 -8.910 -15.234 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.314 -7.790 -16.216 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.666 -7.263 -14.645 1.00 0.00 H new ATOM 1229 N ASP A 82 4.565 -5.625 -18.912 1.00 0.00 N ATOM 1230 CA ASP A 82 4.690 -5.467 -20.352 1.00 0.00 C ATOM 1231 C ASP A 82 4.829 -3.981 -20.687 1.00 0.00 C ATOM 1232 O ASP A 82 4.718 -3.590 -21.848 1.00 0.00 O ATOM 1233 CB ASP A 82 3.452 -6.002 -21.074 1.00 0.00 C ATOM 1234 CG ASP A 82 3.733 -6.719 -22.395 1.00 0.00 C ATOM 1235 OD1 ASP A 82 4.135 -6.017 -23.348 1.00 0.00 O ATOM 1236 OD2 ASP A 82 3.541 -7.954 -22.423 1.00 0.00 O ATOM 0 H ASP A 82 3.606 -5.628 -18.565 1.00 0.00 H new ATOM 0 HA ASP A 82 5.567 -6.026 -20.678 1.00 0.00 H new ATOM 0 HB2 ASP A 82 2.931 -6.690 -20.408 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.774 -5.170 -21.267 1.00 0.00 H new ATOM 1241 N SER A 83 5.070 -3.193 -19.650 1.00 0.00 N ATOM 1242 CA SER A 83 5.224 -1.758 -19.820 1.00 0.00 C ATOM 1243 C SER A 83 6.623 -1.326 -19.373 1.00 0.00 C ATOM 1244 O SER A 83 6.815 -0.194 -18.931 1.00 0.00 O ATOM 1245 CB SER A 83 4.157 -0.992 -19.038 1.00 0.00 C ATOM 1246 OG SER A 83 4.175 0.402 -19.334 1.00 0.00 O ATOM 0 H SER A 83 5.162 -3.521 -18.689 1.00 0.00 H new ATOM 0 HA SER A 83 5.098 -1.524 -20.877 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.174 -1.400 -19.272 1.00 0.00 H new ATOM 0 HB3 SER A 83 4.316 -1.138 -17.970 1.00 0.00 H new ATOM 0 HG SER A 83 5.098 0.730 -19.306 1.00 0.00 H new ATOM 1378 N PRO B 124 -6.537 11.087 -5.224 1.00 0.00 N ATOM 1379 CA PRO B 124 -5.788 11.469 -6.409 1.00 0.00 C ATOM 1380 C PRO B 124 -4.410 10.804 -6.425 1.00 0.00 C ATOM 1381 O PRO B 124 -3.392 11.482 -6.559 1.00 0.00 O ATOM 1382 CB PRO B 124 -5.716 12.986 -6.356 1.00 0.00 C ATOM 1383 CG PRO B 124 -6.018 13.369 -4.917 1.00 0.00 C ATOM 1384 CD PRO B 124 -6.602 12.148 -4.223 1.00 0.00 C ATOM 0 HA PRO B 124 -6.263 11.138 -7.332 1.00 0.00 H new ATOM 0 HB2 PRO B 124 -4.730 13.341 -6.655 1.00 0.00 H new ATOM 0 HB3 PRO B 124 -6.437 13.435 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO B 124 -5.110 13.698 -4.411 1.00 0.00 H new ATOM 0 HG3 PRO B 124 -6.722 14.201 -4.883 1.00 0.00 H new ATOM 0 HD2 PRO B 124 -6.031 11.888 -3.332 1.00 0.00 H new ATOM 0 HD3 PRO B 124 -7.628 12.328 -3.902 1.00 0.00 H new ATOM 1392 N LEU B 125 -4.422 9.487 -6.285 1.00 0.00 N ATOM 1393 CA LEU B 125 -3.185 8.723 -6.281 1.00 0.00 C ATOM 1394 C LEU B 125 -2.293 9.211 -5.137 1.00 0.00 C ATOM 1395 O LEU B 125 -2.398 10.360 -4.710 1.00 0.00 O ATOM 1396 CB LEU B 125 -2.513 8.785 -7.654 1.00 0.00 C ATOM 1397 CG LEU B 125 -3.075 7.840 -8.718 1.00 0.00 C ATOM 1398 CD1 LEU B 125 -2.691 8.308 -10.124 1.00 0.00 C ATOM 1399 CD2 LEU B 125 -2.638 6.397 -8.455 1.00 0.00 C ATOM 0 H LEU B 125 -5.268 8.929 -6.173 1.00 0.00 H new ATOM 0 HA LEU B 125 -3.389 7.668 -6.099 1.00 0.00 H new ATOM 0 HB2 LEU B 125 -2.588 9.806 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU B 125 -1.452 8.568 -7.528 1.00 0.00 H new ATOM 0 HG LEU B 125 -4.163 7.863 -8.656 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -3.103 7.619 -10.862 1.00 0.00 H new ATOM 0 HD12 LEU B 125 -3.091 9.307 -10.297 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -1.605 8.331 -10.216 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -3.051 5.746 -9.225 1.00 0.00 H new ATOM 0 HD22 LEU B 125 -1.550 6.337 -8.474 1.00 0.00 H new ATOM 0 HD23 LEU B 125 -3.002 6.079 -7.478 1.00 0.00 H new ATOM 1411 N PRO B 126 -1.413 8.290 -4.662 1.00 0.00 N ATOM 1412 CA PRO B 126 -0.503 8.615 -3.577 1.00 0.00 C ATOM 1413 C PRO B 126 0.640 9.506 -4.066 1.00 0.00 C ATOM 1414 O PRO B 126 0.856 9.638 -5.270 1.00 0.00 O ATOM 1415 CB PRO B 126 -0.026 7.272 -3.049 1.00 0.00 C ATOM 1416 CG PRO B 126 -0.318 6.264 -4.148 1.00 0.00 C ATOM 1417 CD PRO B 126 -1.260 6.921 -5.144 1.00 0.00 C ATOM 0 HA PRO B 126 -0.981 9.192 -2.786 1.00 0.00 H new ATOM 0 HB2 PRO B 126 1.039 7.299 -2.817 1.00 0.00 H new ATOM 0 HB3 PRO B 126 -0.546 7.007 -2.128 1.00 0.00 H new ATOM 0 HG2 PRO B 126 0.605 5.958 -4.640 1.00 0.00 H new ATOM 0 HG3 PRO B 126 -0.770 5.364 -3.731 1.00 0.00 H new ATOM 0 HD2 PRO B 126 -0.847 6.900 -6.153 1.00 0.00 H new ATOM 0 HD3 PRO B 126 -2.219 6.405 -5.182 1.00 0.00 H new ATOM 1425 N PRO B 127 1.361 10.109 -3.084 1.00 0.00 N ATOM 1426 CA PRO B 127 2.477 10.983 -3.403 1.00 0.00 C ATOM 1427 C PRO B 127 3.697 10.175 -3.849 1.00 0.00 C ATOM 1428 O PRO B 127 4.258 9.409 -3.068 1.00 0.00 O ATOM 1429 CB PRO B 127 2.725 11.782 -2.134 1.00 0.00 C ATOM 1430 CG PRO B 127 2.053 11.006 -1.014 1.00 0.00 C ATOM 1431 CD PRO B 127 1.134 9.974 -1.648 1.00 0.00 C ATOM 0 HA PRO B 127 2.265 11.647 -4.241 1.00 0.00 H new ATOM 0 HB2 PRO B 127 3.793 11.894 -1.945 1.00 0.00 H new ATOM 0 HB3 PRO B 127 2.309 12.786 -2.217 1.00 0.00 H new ATOM 0 HG2 PRO B 127 2.799 10.518 -0.386 1.00 0.00 H new ATOM 0 HG3 PRO B 127 1.486 11.679 -0.371 1.00 0.00 H new ATOM 0 HD2 PRO B 127 1.370 8.968 -1.302 1.00 0.00 H new ATOM 0 HD3 PRO B 127 0.091 10.162 -1.392 1.00 0.00 H new ATOM 1439 N LEU B 128 4.071 10.373 -5.105 1.00 0.00 N ATOM 1440 CA LEU B 128 5.213 9.672 -5.665 1.00 0.00 C ATOM 1441 C LEU B 128 6.456 9.982 -4.829 1.00 0.00 C ATOM 1442 O LEU B 128 6.729 11.143 -4.523 1.00 0.00 O ATOM 1443 CB LEU B 128 5.373 10.007 -7.149 1.00 0.00 C ATOM 1444 CG LEU B 128 4.497 9.204 -8.115 1.00 0.00 C ATOM 1445 CD1 LEU B 128 4.846 9.528 -9.569 1.00 0.00 C ATOM 1446 CD2 LEU B 128 4.590 7.705 -7.823 1.00 0.00 C ATOM 0 H LEU B 128 3.603 11.009 -5.750 1.00 0.00 H new ATOM 0 HA LEU B 128 5.057 8.594 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU B 128 5.156 11.066 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU B 128 6.417 9.856 -7.425 1.00 0.00 H new ATOM 0 HG LEU B 128 3.459 9.498 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU B 128 4.210 8.945 -10.235 1.00 0.00 H new ATOM 0 HD12 LEU B 128 4.687 10.590 -9.753 1.00 0.00 H new ATOM 0 HD13 LEU B 128 5.891 9.280 -9.756 1.00 0.00 H new ATOM 0 HD21 LEU B 128 3.959 7.158 -8.523 1.00 0.00 H new ATOM 0 HD22 LEU B 128 5.623 7.376 -7.933 1.00 0.00 H new ATOM 0 HD23 LEU B 128 4.254 7.511 -6.804 1.00 0.00 H new ATOM 1458 N PRO B 129 7.196 8.898 -4.473 1.00 0.00 N ATOM 1459 CA PRO B 129 8.403 9.043 -3.678 1.00 0.00 C ATOM 1460 C PRO B 129 9.553 9.593 -4.522 1.00 0.00 C ATOM 1461 O PRO B 129 9.328 10.157 -5.592 1.00 0.00 O ATOM 1462 CB PRO B 129 8.681 7.653 -3.127 1.00 0.00 C ATOM 1463 CG PRO B 129 7.893 6.692 -4.004 1.00 0.00 C ATOM 1464 CD PRO B 129 6.903 7.510 -4.816 1.00 0.00 C ATOM 0 HA PRO B 129 8.289 9.762 -2.867 1.00 0.00 H new ATOM 0 HB2 PRO B 129 9.747 7.426 -3.159 1.00 0.00 H new ATOM 0 HB3 PRO B 129 8.369 7.576 -2.085 1.00 0.00 H new ATOM 0 HG2 PRO B 129 8.563 6.139 -4.663 1.00 0.00 H new ATOM 0 HG3 PRO B 129 7.370 5.957 -3.392 1.00 0.00 H new ATOM 0 HD2 PRO B 129 7.025 7.332 -5.884 1.00 0.00 H new ATOM 0 HD3 PRO B 129 5.875 7.249 -4.565 1.00 0.00 H new