USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 606 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 22 SER OG : rot 180:sc= 1.01 USER MOD Set 1.2: A 49 LYS NZ :NH3+ 177:sc= 2.59 (180deg=-0.972) USER MOD Set 1.3: A 72 TYR OH : rot 180:sc= 0.914 USER MOD Set 1.4: A 73 ASN : amide:sc= 0.827 K(o=5.3,f=-4.9!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.837 K(o=0.84,f=-0.43) USER MOD Single : A 32 ASN : amide:sc= 0.892 K(o=0.89,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= -0.42 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot -80:sc= -1.49! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 162:sc= -0.137 (180deg=-0.697) USER MOD Single : A 58 GLN : amide:sc= -1.35! C(o=-1.3!,f=-5.2!) USER MOD Single : A 60 SER OG : rot -92:sc= -0.276 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -133:sc= 1.8 (180deg=-0.401!) USER MOD Single : A 80 ASN : amide:sc=-0.00347 K(o=-0.0035,f=-0.7) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 149:sc=-0.00996 (180deg=-0.596) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -13.966 -0.653 -3.614 1.00 72.33 N ATOM 282 CA LEU A 19 -12.695 -0.631 -2.891 1.00 64.15 C ATOM 283 C LEU A 19 -12.829 0.243 -1.646 1.00 23.21 C ATOM 284 O LEU A 19 -12.938 1.465 -1.741 1.00 12.11 O ATOM 285 CB LEU A 19 -11.563 -0.105 -3.789 1.00 13.41 C ATOM 286 CG LEU A 19 -11.234 -0.974 -5.016 1.00 70.21 C ATOM 287 CD1 LEU A 19 -10.125 -0.332 -5.850 1.00 43.44 C ATOM 288 CD2 LEU A 19 -10.838 -2.387 -4.583 1.00 45.32 C ATOM 0 HA LEU A 19 -12.445 -1.649 -2.593 1.00 64.15 H new ATOM 0 HB2 LEU A 19 -11.830 0.894 -4.134 1.00 13.41 H new ATOM 0 HB3 LEU A 19 -10.661 -0.003 -3.185 1.00 13.41 H new ATOM 0 HG LEU A 19 -12.128 -1.045 -5.636 1.00 70.21 H new ATOM 0 HD11 LEU A 19 -9.907 -0.962 -6.713 1.00 43.44 H new ATOM 0 HD12 LEU A 19 -10.449 0.651 -6.191 1.00 43.44 H new ATOM 0 HD13 LEU A 19 -9.227 -0.227 -5.242 1.00 43.44 H new ATOM 0 HD21 LEU A 19 -10.609 -2.987 -5.464 1.00 45.32 H new ATOM 0 HD22 LEU A 19 -9.960 -2.338 -3.939 1.00 45.32 H new ATOM 0 HD23 LEU A 19 -11.663 -2.845 -4.037 1.00 45.32 H new ATOM 300 N LYS A 20 -12.840 -0.387 -0.479 1.00 73.43 N ATOM 301 CA LYS A 20 -13.053 0.332 0.778 1.00 62.04 C ATOM 302 C LYS A 20 -11.909 0.088 1.772 1.00 13.12 C ATOM 303 O LYS A 20 -11.455 -1.045 1.961 1.00 65.12 O ATOM 304 CB LYS A 20 -14.419 -0.052 1.370 1.00 73.41 C ATOM 305 CG LYS A 20 -15.591 0.446 0.520 1.00 44.14 C ATOM 306 CD LYS A 20 -16.956 0.146 1.139 1.00 11.00 C ATOM 307 CE LYS A 20 -17.277 -1.344 1.148 1.00 5.44 C ATOM 308 NZ LYS A 20 -18.661 -1.611 1.627 1.00 32.10 N ATOM 0 H LYS A 20 -12.705 -1.392 -0.372 1.00 73.43 H new ATOM 0 HA LYS A 20 -13.056 1.402 0.571 1.00 62.04 H new ATOM 0 HB2 LYS A 20 -14.478 -1.136 1.464 1.00 73.41 H new ATOM 0 HB3 LYS A 20 -14.504 0.360 2.376 1.00 73.41 H new ATOM 0 HG2 LYS A 20 -15.494 1.522 0.374 1.00 44.14 H new ATOM 0 HG3 LYS A 20 -15.538 -0.015 -0.466 1.00 44.14 H new ATOM 0 HD2 LYS A 20 -16.980 0.526 2.160 1.00 11.00 H new ATOM 0 HD3 LYS A 20 -17.728 0.678 0.583 1.00 11.00 H new ATOM 0 HE2 LYS A 20 -17.157 -1.747 0.143 1.00 5.44 H new ATOM 0 HE3 LYS A 20 -16.565 -1.865 1.788 1.00 5.44 H new ATOM 0 HZ1 LYS A 20 -18.840 -2.635 1.618 1.00 32.10 H new ATOM 0 HZ2 LYS A 20 -18.769 -1.249 2.596 1.00 32.10 H new ATOM 0 HZ3 LYS A 20 -19.343 -1.135 1.002 1.00 32.10 H new ATOM 322 N PHE A 21 -11.449 1.175 2.393 1.00 62.24 N ATOM 323 CA PHE A 21 -10.276 1.156 3.277 1.00 61.32 C ATOM 324 C PHE A 21 -10.481 0.285 4.531 1.00 12.31 C ATOM 325 O PHE A 21 -11.577 0.211 5.088 1.00 52.04 O ATOM 326 CB PHE A 21 -9.929 2.598 3.688 1.00 11.21 C ATOM 327 CG PHE A 21 -8.648 2.729 4.474 1.00 1.24 C ATOM 328 CD1 PHE A 21 -7.419 2.684 3.831 1.00 42.11 C ATOM 329 CD2 PHE A 21 -8.673 2.907 5.851 1.00 65.13 C ATOM 330 CE1 PHE A 21 -6.242 2.812 4.543 1.00 44.33 C ATOM 331 CE2 PHE A 21 -7.499 3.034 6.568 1.00 52.11 C ATOM 332 CZ PHE A 21 -6.282 2.987 5.914 1.00 73.53 C ATOM 0 H PHE A 21 -11.878 2.096 2.299 1.00 62.24 H new ATOM 0 HA PHE A 21 -9.454 0.708 2.719 1.00 61.32 H new ATOM 0 HB2 PHE A 21 -9.855 3.211 2.790 1.00 11.21 H new ATOM 0 HB3 PHE A 21 -10.749 3.001 4.282 1.00 11.21 H new ATOM 0 HD1 PHE A 21 -7.382 2.547 2.760 1.00 42.11 H new ATOM 0 HD2 PHE A 21 -9.621 2.947 6.367 1.00 65.13 H new ATOM 0 HE1 PHE A 21 -5.292 2.775 4.030 1.00 44.33 H new ATOM 0 HE2 PHE A 21 -7.532 3.170 7.639 1.00 52.11 H new ATOM 0 HZ PHE A 21 -5.364 3.087 6.473 1.00 73.53 H new ATOM 342 N SER A 22 -9.411 -0.380 4.965 1.00 74.33 N ATOM 343 CA SER A 22 -9.423 -1.137 6.227 1.00 11.20 C ATOM 344 C SER A 22 -8.311 -0.665 7.171 1.00 14.10 C ATOM 345 O SER A 22 -8.586 -0.177 8.268 1.00 71.35 O ATOM 346 CB SER A 22 -9.277 -2.644 5.969 1.00 4.33 C ATOM 347 OG SER A 22 -10.410 -3.167 5.290 1.00 62.25 O ATOM 0 H SER A 22 -8.523 -0.413 4.465 1.00 74.33 H new ATOM 0 HA SER A 22 -10.386 -0.952 6.703 1.00 11.20 H new ATOM 0 HB2 SER A 22 -8.380 -2.828 5.378 1.00 4.33 H new ATOM 0 HB3 SER A 22 -9.146 -3.166 6.917 1.00 4.33 H new ATOM 0 HG SER A 22 -10.286 -4.127 5.139 1.00 62.25 H new ATOM 353 N ALA A 23 -7.057 -0.820 6.746 1.00 13.40 N ATOM 354 CA ALA A 23 -5.906 -0.400 7.557 1.00 50.24 C ATOM 355 C ALA A 23 -4.646 -0.196 6.702 1.00 35.25 C ATOM 356 O ALA A 23 -4.667 -0.374 5.483 1.00 23.23 O ATOM 357 CB ALA A 23 -5.635 -1.429 8.651 1.00 33.12 C ATOM 0 H ALA A 23 -6.809 -1.232 5.847 1.00 13.40 H new ATOM 0 HA ALA A 23 -6.155 0.559 8.011 1.00 50.24 H new ATOM 0 HB1 ALA A 23 -4.780 -1.110 9.247 1.00 33.12 H new ATOM 0 HB2 ALA A 23 -6.512 -1.518 9.292 1.00 33.12 H new ATOM 0 HB3 ALA A 23 -5.419 -2.396 8.196 1.00 33.12 H new ATOM 363 N LEU A 24 -3.554 0.192 7.352 1.00 20.11 N ATOM 364 CA LEU A 24 -2.234 0.235 6.715 1.00 23.54 C ATOM 365 C LEU A 24 -1.416 -0.989 7.149 1.00 42.12 C ATOM 366 O LEU A 24 -0.880 -1.030 8.262 1.00 52.13 O ATOM 367 CB LEU A 24 -1.500 1.530 7.091 1.00 1.14 C ATOM 368 CG LEU A 24 -0.085 1.686 6.503 1.00 11.45 C ATOM 369 CD1 LEU A 24 -0.125 1.785 4.978 1.00 32.44 C ATOM 370 CD2 LEU A 24 0.613 2.900 7.108 1.00 63.32 C ATOM 0 H LEU A 24 -3.554 0.485 8.329 1.00 20.11 H new ATOM 0 HA LEU A 24 -2.359 0.216 5.632 1.00 23.54 H new ATOM 0 HB2 LEU A 24 -2.105 2.377 6.766 1.00 1.14 H new ATOM 0 HB3 LEU A 24 -1.431 1.585 8.177 1.00 1.14 H new ATOM 0 HG LEU A 24 0.487 0.795 6.760 1.00 11.45 H new ATOM 0 HD11 LEU A 24 0.889 1.894 4.594 1.00 32.44 H new ATOM 0 HD12 LEU A 24 -0.574 0.881 4.566 1.00 32.44 H new ATOM 0 HD13 LEU A 24 -0.719 2.651 4.685 1.00 32.44 H new ATOM 0 HD21 LEU A 24 1.612 2.996 6.682 1.00 63.32 H new ATOM 0 HD22 LEU A 24 0.037 3.799 6.887 1.00 63.32 H new ATOM 0 HD23 LEU A 24 0.690 2.775 8.188 1.00 63.32 H new ATOM 382 N ARG A 25 -1.339 -1.990 6.279 1.00 42.05 N ATOM 383 CA ARG A 25 -0.709 -3.273 6.622 1.00 54.11 C ATOM 384 C ARG A 25 0.755 -3.104 7.055 1.00 43.24 C ATOM 385 O ARG A 25 1.128 -3.474 8.169 1.00 4.35 O ATOM 386 CB ARG A 25 -0.807 -4.243 5.433 1.00 3.12 C ATOM 387 CG ARG A 25 -0.213 -5.631 5.689 1.00 25.31 C ATOM 388 CD ARG A 25 -0.729 -6.258 6.985 1.00 11.22 C ATOM 389 NE ARG A 25 -2.158 -6.034 7.187 1.00 60.15 N ATOM 390 CZ ARG A 25 -2.832 -6.474 8.213 1.00 44.21 C ATOM 391 NH1 ARG A 25 -2.299 -7.304 9.052 1.00 71.12 N ATOM 392 NH2 ARG A 25 -4.058 -6.104 8.373 1.00 0.55 N ATOM 0 H ARG A 25 -1.704 -1.944 5.328 1.00 42.05 H new ATOM 0 HA ARG A 25 -1.250 -3.686 7.473 1.00 54.11 H new ATOM 0 HB2 ARG A 25 -1.856 -4.356 5.160 1.00 3.12 H new ATOM 0 HB3 ARG A 25 -0.301 -3.798 4.576 1.00 3.12 H new ATOM 0 HG2 ARG A 25 -0.453 -6.286 4.851 1.00 25.31 H new ATOM 0 HG3 ARG A 25 0.873 -5.555 5.733 1.00 25.31 H new ATOM 0 HD2 ARG A 25 -0.532 -7.330 6.969 1.00 11.22 H new ATOM 0 HD3 ARG A 25 -0.177 -5.844 7.829 1.00 11.22 H new ATOM 0 HE ARG A 25 -2.661 -5.499 6.480 1.00 60.15 H new ATOM 0 HH11 ARG A 25 -1.340 -7.622 8.915 1.00 71.12 H new ATOM 0 HH12 ARG A 25 -2.839 -7.640 9.850 1.00 71.12 H new ATOM 0 HH21 ARG A 25 -4.492 -5.472 7.700 1.00 0.55 H new ATOM 0 HH22 ARG A 25 -4.593 -6.443 9.173 1.00 0.55 H new ATOM 406 N ARG A 26 1.576 -2.543 6.175 1.00 23.43 N ATOM 407 CA ARG A 26 2.999 -2.362 6.465 1.00 71.24 C ATOM 408 C ARG A 26 3.679 -1.465 5.428 1.00 73.33 C ATOM 409 O ARG A 26 3.462 -1.613 4.229 1.00 52.22 O ATOM 410 CB ARG A 26 3.706 -3.726 6.513 1.00 73.01 C ATOM 411 CG ARG A 26 5.213 -3.633 6.727 1.00 21.14 C ATOM 412 CD ARG A 26 5.863 -5.009 6.824 1.00 54.54 C ATOM 413 NE ARG A 26 7.309 -4.920 7.019 1.00 44.44 N ATOM 414 CZ ARG A 26 8.148 -5.886 6.760 1.00 30.43 C ATOM 415 NH1 ARG A 26 7.717 -7.051 6.387 1.00 33.33 N ATOM 416 NH2 ARG A 26 9.417 -5.692 6.913 1.00 74.11 N ATOM 0 H ARG A 26 1.285 -2.206 5.257 1.00 23.43 H new ATOM 0 HA ARG A 26 3.077 -1.873 7.436 1.00 71.24 H new ATOM 0 HB2 ARG A 26 3.271 -4.322 7.315 1.00 73.01 H new ATOM 0 HB3 ARG A 26 3.513 -4.257 5.581 1.00 73.01 H new ATOM 0 HG2 ARG A 26 5.662 -3.077 5.904 1.00 21.14 H new ATOM 0 HG3 ARG A 26 5.416 -3.071 7.639 1.00 21.14 H new ATOM 0 HD2 ARG A 26 5.419 -5.562 7.652 1.00 54.54 H new ATOM 0 HD3 ARG A 26 5.654 -5.573 5.915 1.00 54.54 H new ATOM 0 HE ARG A 26 7.688 -4.045 7.382 1.00 44.44 H new ATOM 0 HH11 ARG A 26 6.715 -7.218 6.294 1.00 33.33 H new ATOM 0 HH12 ARG A 26 8.380 -7.800 6.187 1.00 33.33 H new ATOM 0 HH21 ARG A 26 9.759 -4.787 7.235 1.00 74.11 H new ATOM 0 HH22 ARG A 26 10.076 -6.444 6.712 1.00 74.11 H new ATOM 430 N GLU A 27 4.495 -0.530 5.899 1.00 70.42 N ATOM 431 CA GLU A 27 5.300 0.310 5.011 1.00 55.44 C ATOM 432 C GLU A 27 6.732 -0.237 4.926 1.00 34.15 C ATOM 433 O GLU A 27 7.556 0.013 5.809 1.00 11.52 O ATOM 434 CB GLU A 27 5.310 1.762 5.519 1.00 52.40 C ATOM 435 CG GLU A 27 3.916 2.368 5.648 1.00 52.02 C ATOM 436 CD GLU A 27 3.926 3.773 6.233 1.00 15.32 C ATOM 437 OE1 GLU A 27 4.206 3.918 7.444 1.00 43.23 O ATOM 438 OE2 GLU A 27 3.647 4.734 5.490 1.00 13.11 O ATOM 0 H GLU A 27 4.619 -0.332 6.892 1.00 70.42 H new ATOM 0 HA GLU A 27 4.860 0.295 4.014 1.00 55.44 H new ATOM 0 HB2 GLU A 27 5.804 1.796 6.490 1.00 52.40 H new ATOM 0 HB3 GLU A 27 5.902 2.373 4.838 1.00 52.40 H new ATOM 0 HG2 GLU A 27 3.445 2.394 4.665 1.00 52.02 H new ATOM 0 HG3 GLU A 27 3.303 1.723 6.278 1.00 52.02 H new ATOM 445 N VAL A 28 7.018 -0.998 3.867 1.00 44.22 N ATOM 446 CA VAL A 28 8.340 -1.609 3.693 1.00 51.31 C ATOM 447 C VAL A 28 9.398 -0.539 3.390 1.00 41.00 C ATOM 448 O VAL A 28 9.167 0.368 2.587 1.00 3.43 O ATOM 449 CB VAL A 28 8.338 -2.692 2.581 1.00 12.33 C ATOM 450 CG1 VAL A 28 7.398 -3.838 2.949 1.00 4.31 C ATOM 451 CG2 VAL A 28 7.956 -2.091 1.229 1.00 50.52 C ATOM 0 H VAL A 28 6.356 -1.206 3.119 1.00 44.22 H new ATOM 0 HA VAL A 28 8.592 -2.101 4.633 1.00 51.31 H new ATOM 0 HB VAL A 28 9.349 -3.090 2.496 1.00 12.33 H new ATOM 0 HG11 VAL A 28 7.410 -4.587 2.157 1.00 4.31 H new ATOM 0 HG12 VAL A 28 7.727 -4.292 3.884 1.00 4.31 H new ATOM 0 HG13 VAL A 28 6.385 -3.454 3.069 1.00 4.31 H new ATOM 0 HG21 VAL A 28 7.963 -2.872 0.469 1.00 50.52 H new ATOM 0 HG22 VAL A 28 6.959 -1.655 1.293 1.00 50.52 H new ATOM 0 HG23 VAL A 28 8.674 -1.316 0.959 1.00 50.52 H new ATOM 461 N ARG A 29 10.552 -0.644 4.038 1.00 65.11 N ATOM 462 CA ARG A 29 11.562 0.415 3.991 1.00 44.03 C ATOM 463 C ARG A 29 12.873 -0.043 3.332 1.00 33.34 C ATOM 464 O ARG A 29 13.078 -1.227 3.063 1.00 41.20 O ATOM 465 CB ARG A 29 11.813 0.933 5.413 1.00 23.24 C ATOM 466 CG ARG A 29 10.540 1.442 6.091 1.00 1.20 C ATOM 467 CD ARG A 29 10.816 2.069 7.450 1.00 73.53 C ATOM 468 NE ARG A 29 9.590 2.569 8.073 1.00 32.04 N ATOM 469 CZ ARG A 29 9.551 3.535 8.950 1.00 31.52 C ATOM 470 NH1 ARG A 29 10.645 4.102 9.349 1.00 40.11 N ATOM 471 NH2 ARG A 29 8.415 3.926 9.429 1.00 74.23 N ATOM 0 H ARG A 29 10.815 -1.451 4.604 1.00 65.11 H new ATOM 0 HA ARG A 29 11.177 1.221 3.366 1.00 44.03 H new ATOM 0 HB2 ARG A 29 12.245 0.134 6.015 1.00 23.24 H new ATOM 0 HB3 ARG A 29 12.547 1.738 5.377 1.00 23.24 H new ATOM 0 HG2 ARG A 29 10.058 2.177 5.446 1.00 1.20 H new ATOM 0 HG3 ARG A 29 9.840 0.615 6.211 1.00 1.20 H new ATOM 0 HD2 ARG A 29 11.282 1.331 8.103 1.00 73.53 H new ATOM 0 HD3 ARG A 29 11.527 2.888 7.336 1.00 73.53 H new ATOM 0 HE ARG A 29 8.707 2.134 7.804 1.00 32.04 H new ATOM 0 HH11 ARG A 29 11.544 3.794 8.978 1.00 40.11 H new ATOM 0 HH12 ARG A 29 10.608 4.856 10.035 1.00 40.11 H new ATOM 0 HH21 ARG A 29 7.551 3.480 9.121 1.00 74.23 H new ATOM 0 HH22 ARG A 29 8.383 4.681 10.114 1.00 74.23 H new ATOM 485 N ILE A 30 13.754 0.920 3.076 1.00 73.14 N ATOM 486 CA ILE A 30 15.016 0.666 2.373 1.00 64.23 C ATOM 487 C ILE A 30 16.035 -0.037 3.286 1.00 62.23 C ATOM 488 O ILE A 30 16.502 0.538 4.267 1.00 43.02 O ATOM 489 CB ILE A 30 15.623 1.994 1.851 1.00 24.30 C ATOM 490 CG1 ILE A 30 14.569 2.779 1.050 1.00 41.01 C ATOM 491 CG2 ILE A 30 16.856 1.717 0.989 1.00 23.11 C ATOM 492 CD1 ILE A 30 14.999 4.179 0.662 1.00 31.33 C ATOM 0 H ILE A 30 13.618 1.894 3.347 1.00 73.14 H new ATOM 0 HA ILE A 30 14.795 0.011 1.531 1.00 64.23 H new ATOM 0 HB ILE A 30 15.932 2.597 2.705 1.00 24.30 H new ATOM 0 HG12 ILE A 30 14.327 2.221 0.145 1.00 41.01 H new ATOM 0 HG13 ILE A 30 13.654 2.842 1.639 1.00 41.01 H new ATOM 0 HG21 ILE A 30 17.269 2.660 0.631 1.00 23.11 H new ATOM 0 HG22 ILE A 30 17.606 1.195 1.583 1.00 23.11 H new ATOM 0 HG23 ILE A 30 16.573 1.098 0.137 1.00 23.11 H new ATOM 0 HD11 ILE A 30 14.200 4.663 0.101 1.00 31.33 H new ATOM 0 HD12 ILE A 30 15.212 4.757 1.561 1.00 31.33 H new ATOM 0 HD13 ILE A 30 15.895 4.126 0.044 1.00 31.33 H new ATOM 504 N GLN A 31 16.374 -1.282 2.962 1.00 4.21 N ATOM 505 CA GLN A 31 17.310 -2.070 3.775 1.00 60.32 C ATOM 506 C GLN A 31 18.776 -1.760 3.426 1.00 2.41 C ATOM 507 O GLN A 31 19.151 -1.711 2.254 1.00 4.24 O ATOM 508 CB GLN A 31 17.027 -3.568 3.587 1.00 11.31 C ATOM 509 CG GLN A 31 17.959 -4.483 4.374 1.00 62.12 C ATOM 510 CD GLN A 31 17.587 -5.950 4.248 1.00 62.13 C ATOM 511 OE1 GLN A 31 17.037 -6.384 3.238 1.00 34.24 O ATOM 512 NE2 GLN A 31 17.878 -6.724 5.271 1.00 63.40 N ATOM 0 H GLN A 31 16.017 -1.772 2.142 1.00 4.21 H new ATOM 0 HA GLN A 31 17.158 -1.796 4.819 1.00 60.32 H new ATOM 0 HB2 GLN A 31 15.999 -3.772 3.885 1.00 11.31 H new ATOM 0 HB3 GLN A 31 17.106 -3.811 2.527 1.00 11.31 H new ATOM 0 HG2 GLN A 31 18.981 -4.341 4.024 1.00 62.12 H new ATOM 0 HG3 GLN A 31 17.939 -4.197 5.426 1.00 62.12 H new ATOM 0 HE21 GLN A 31 18.335 -6.331 6.094 1.00 63.40 H new ATOM 0 HE22 GLN A 31 17.647 -7.717 5.241 1.00 63.40 H new ATOM 521 N ASN A 32 19.605 -1.561 4.454 1.00 61.43 N ATOM 522 CA ASN A 32 21.033 -1.276 4.258 1.00 53.10 C ATOM 523 C ASN A 32 21.819 -2.572 3.993 1.00 4.14 C ATOM 524 O ASN A 32 21.450 -3.640 4.486 1.00 3.33 O ATOM 525 CB ASN A 32 21.611 -0.557 5.487 1.00 10.53 C ATOM 526 CG ASN A 32 20.880 0.737 5.808 1.00 33.41 C ATOM 527 OD1 ASN A 32 21.215 1.804 5.303 1.00 33.32 O ATOM 528 ND2 ASN A 32 19.882 0.657 6.666 1.00 1.53 N ATOM 0 H ASN A 32 19.314 -1.592 5.431 1.00 61.43 H new ATOM 0 HA ASN A 32 21.130 -0.626 3.388 1.00 53.10 H new ATOM 0 HB2 ASN A 32 21.560 -1.222 6.349 1.00 10.53 H new ATOM 0 HB3 ASN A 32 22.665 -0.341 5.314 1.00 10.53 H new ATOM 0 HD21 ASN A 32 19.365 1.497 6.927 1.00 1.53 H new ATOM 0 HD22 ASN A 32 19.627 -0.245 7.069 1.00 1.53 H new ATOM 535 N GLU A 33 22.909 -2.470 3.229 1.00 3.20 N ATOM 536 CA GLU A 33 23.714 -3.647 2.860 1.00 64.42 C ATOM 537 C GLU A 33 24.241 -4.392 4.094 1.00 63.13 C ATOM 538 O GLU A 33 24.360 -5.619 4.089 1.00 60.23 O ATOM 539 CB GLU A 33 24.897 -3.235 1.971 1.00 10.22 C ATOM 540 CG GLU A 33 24.491 -2.625 0.632 1.00 51.42 C ATOM 541 CD GLU A 33 25.688 -2.323 -0.259 1.00 23.33 C ATOM 542 OE1 GLU A 33 26.138 -3.232 -0.986 1.00 65.51 O ATOM 543 OE2 GLU A 33 26.192 -1.179 -0.227 1.00 52.55 O ATOM 0 H GLU A 33 23.258 -1.589 2.852 1.00 3.20 H new ATOM 0 HA GLU A 33 23.058 -4.321 2.309 1.00 64.42 H new ATOM 0 HB2 GLU A 33 25.512 -2.516 2.513 1.00 10.22 H new ATOM 0 HB3 GLU A 33 25.519 -4.110 1.785 1.00 10.22 H new ATOM 0 HG2 GLU A 33 23.820 -3.310 0.113 1.00 51.42 H new ATOM 0 HG3 GLU A 33 23.933 -1.705 0.810 1.00 51.42 H new ATOM 550 N ASP A 34 24.560 -3.641 5.144 1.00 11.03 N ATOM 551 CA ASP A 34 25.068 -4.211 6.395 1.00 51.43 C ATOM 552 C ASP A 34 24.071 -5.199 7.024 1.00 74.11 C ATOM 553 O ASP A 34 24.464 -6.123 7.737 1.00 72.41 O ATOM 554 CB ASP A 34 25.376 -3.080 7.380 1.00 43.21 C ATOM 555 CG ASP A 34 26.375 -2.088 6.817 1.00 72.13 C ATOM 556 OD1 ASP A 34 25.997 -1.307 5.919 1.00 53.52 O ATOM 557 OD2 ASP A 34 27.534 -2.068 7.277 1.00 72.11 O ATOM 0 H ASP A 34 24.475 -2.625 5.156 1.00 11.03 H new ATOM 0 HA ASP A 34 25.977 -4.767 6.167 1.00 51.43 H new ATOM 0 HB2 ASP A 34 24.453 -2.559 7.633 1.00 43.21 H new ATOM 0 HB3 ASP A 34 25.768 -3.503 8.305 1.00 43.21 H new ATOM 562 N GLY A 35 22.782 -5.000 6.754 1.00 12.34 N ATOM 563 CA GLY A 35 21.759 -5.885 7.299 1.00 53.01 C ATOM 564 C GLY A 35 20.526 -5.138 7.794 1.00 32.30 C ATOM 565 O GLY A 35 19.412 -5.393 7.334 1.00 42.24 O ATOM 0 H GLY A 35 22.426 -4.244 6.169 1.00 12.34 H new ATOM 0 HA2 GLY A 35 21.460 -6.601 6.533 1.00 53.01 H new ATOM 0 HA3 GLY A 35 22.184 -6.459 8.123 1.00 53.01 H new ATOM 569 N SER A 36 20.727 -4.208 8.729 1.00 53.54 N ATOM 570 CA SER A 36 19.615 -3.444 9.326 1.00 64.41 C ATOM 571 C SER A 36 18.875 -2.583 8.291 1.00 1.02 C ATOM 572 O SER A 36 19.461 -2.101 7.318 1.00 72.14 O ATOM 573 CB SER A 36 20.117 -2.547 10.467 1.00 61.32 C ATOM 574 OG SER A 36 20.658 -3.310 11.536 1.00 44.14 O ATOM 0 H SER A 36 21.647 -3.961 9.093 1.00 53.54 H new ATOM 0 HA SER A 36 18.913 -4.179 9.719 1.00 64.41 H new ATOM 0 HB2 SER A 36 20.877 -1.865 10.086 1.00 61.32 H new ATOM 0 HB3 SER A 36 19.295 -1.934 10.837 1.00 61.32 H new ATOM 0 HG SER A 36 20.969 -2.707 12.243 1.00 44.14 H new ATOM 580 N VAL A 37 17.586 -2.374 8.524 1.00 50.21 N ATOM 581 CA VAL A 37 16.742 -1.593 7.619 1.00 2.34 C ATOM 582 C VAL A 37 16.727 -0.107 8.015 1.00 72.32 C ATOM 583 O VAL A 37 16.829 0.234 9.194 1.00 40.44 O ATOM 584 CB VAL A 37 15.295 -2.148 7.609 1.00 20.54 C ATOM 585 CG1 VAL A 37 14.430 -1.426 6.577 1.00 15.04 C ATOM 586 CG2 VAL A 37 15.310 -3.654 7.353 1.00 41.23 C ATOM 0 H VAL A 37 17.095 -2.738 9.341 1.00 50.21 H new ATOM 0 HA VAL A 37 17.164 -1.679 6.618 1.00 2.34 H new ATOM 0 HB VAL A 37 14.853 -1.966 8.589 1.00 20.54 H new ATOM 0 HG11 VAL A 37 13.421 -1.839 6.595 1.00 15.04 H new ATOM 0 HG12 VAL A 37 14.391 -0.363 6.814 1.00 15.04 H new ATOM 0 HG13 VAL A 37 14.859 -1.561 5.584 1.00 15.04 H new ATOM 0 HG21 VAL A 37 14.288 -4.032 7.348 1.00 41.23 H new ATOM 0 HG22 VAL A 37 15.776 -3.854 6.388 1.00 41.23 H new ATOM 0 HG23 VAL A 37 15.877 -4.151 8.140 1.00 41.23 H new ATOM 596 N SER A 38 16.607 0.767 7.021 1.00 51.31 N ATOM 597 CA SER A 38 16.623 2.221 7.250 1.00 72.25 C ATOM 598 C SER A 38 15.259 2.748 7.710 1.00 65.43 C ATOM 599 O SER A 38 14.267 2.016 7.760 1.00 33.54 O ATOM 600 CB SER A 38 17.039 2.959 5.968 1.00 62.33 C ATOM 601 OG SER A 38 17.008 4.368 6.146 1.00 64.51 O ATOM 0 H SER A 38 16.497 0.500 6.043 1.00 51.31 H new ATOM 0 HA SER A 38 17.347 2.409 8.043 1.00 72.25 H new ATOM 0 HB2 SER A 38 18.043 2.650 5.678 1.00 62.33 H new ATOM 0 HB3 SER A 38 16.372 2.679 5.153 1.00 62.33 H new ATOM 0 HG SER A 38 17.279 4.809 5.314 1.00 64.51 H new ATOM 607 N ASP A 39 15.225 4.032 8.045 1.00 55.54 N ATOM 608 CA ASP A 39 13.990 4.710 8.437 1.00 15.11 C ATOM 609 C ASP A 39 13.254 5.282 7.210 1.00 72.13 C ATOM 610 O ASP A 39 12.102 5.710 7.305 1.00 31.44 O ATOM 611 CB ASP A 39 14.307 5.817 9.450 1.00 25.44 C ATOM 612 CG ASP A 39 15.365 6.788 8.949 1.00 25.22 C ATOM 613 OD1 ASP A 39 16.535 6.372 8.788 1.00 1.12 O ATOM 614 OD2 ASP A 39 15.039 7.970 8.723 1.00 64.33 O ATOM 0 H ASP A 39 16.049 4.633 8.053 1.00 55.54 H new ATOM 0 HA ASP A 39 13.327 3.982 8.904 1.00 15.11 H new ATOM 0 HB2 ASP A 39 13.394 6.367 9.678 1.00 25.44 H new ATOM 0 HB3 ASP A 39 14.647 5.364 10.381 1.00 25.44 H new ATOM 619 N GLU A 40 13.927 5.272 6.057 1.00 4.12 N ATOM 620 CA GLU A 40 13.331 5.738 4.797 1.00 62.14 C ATOM 621 C GLU A 40 12.461 4.657 4.142 1.00 71.23 C ATOM 622 O GLU A 40 12.790 3.470 4.172 1.00 50.15 O ATOM 623 CB GLU A 40 14.426 6.199 3.827 1.00 42.32 C ATOM 624 CG GLU A 40 15.109 7.495 4.249 1.00 12.15 C ATOM 625 CD GLU A 40 14.145 8.672 4.311 1.00 54.34 C ATOM 626 OE1 GLU A 40 13.903 9.306 3.263 1.00 55.13 O ATOM 627 OE2 GLU A 40 13.616 8.962 5.405 1.00 14.55 O ATOM 0 H GLU A 40 14.889 4.945 5.967 1.00 4.12 H new ATOM 0 HA GLU A 40 12.684 6.583 5.034 1.00 62.14 H new ATOM 0 HB2 GLU A 40 15.177 5.414 3.740 1.00 42.32 H new ATOM 0 HB3 GLU A 40 13.990 6.334 2.837 1.00 42.32 H new ATOM 0 HG2 GLU A 40 15.571 7.356 5.227 1.00 12.15 H new ATOM 0 HG3 GLU A 40 15.911 7.724 3.547 1.00 12.15 H new ATOM 634 N ILE A 41 11.370 5.088 3.518 1.00 53.25 N ATOM 635 CA ILE A 41 10.355 4.172 2.978 1.00 24.45 C ATOM 636 C ILE A 41 10.710 3.673 1.562 1.00 13.22 C ATOM 637 O ILE A 41 11.418 4.344 0.812 1.00 52.43 O ATOM 638 CB ILE A 41 8.964 4.863 2.925 1.00 31.23 C ATOM 639 CG1 ILE A 41 8.601 5.481 4.288 1.00 1.23 C ATOM 640 CG2 ILE A 41 7.879 3.872 2.489 1.00 0.44 C ATOM 641 CD1 ILE A 41 8.314 4.464 5.372 1.00 34.44 C ATOM 0 H ILE A 41 11.159 6.075 3.370 1.00 53.25 H new ATOM 0 HA ILE A 41 10.326 3.315 3.651 1.00 24.45 H new ATOM 0 HB ILE A 41 9.020 5.664 2.188 1.00 31.23 H new ATOM 0 HG12 ILE A 41 9.420 6.122 4.614 1.00 1.23 H new ATOM 0 HG13 ILE A 41 7.727 6.120 4.164 1.00 1.23 H new ATOM 0 HG21 ILE A 41 6.914 4.379 2.459 1.00 0.44 H new ATOM 0 HG22 ILE A 41 8.116 3.485 1.498 1.00 0.44 H new ATOM 0 HG23 ILE A 41 7.834 3.046 3.199 1.00 0.44 H new ATOM 0 HD11 ILE A 41 8.067 4.981 6.299 1.00 34.44 H new ATOM 0 HD12 ILE A 41 7.474 3.838 5.070 1.00 34.44 H new ATOM 0 HD13 ILE A 41 9.194 3.840 5.528 1.00 34.44 H new ATOM 653 N LYS A 42 10.209 2.488 1.209 1.00 13.55 N ATOM 654 CA LYS A 42 10.345 1.945 -0.149 1.00 24.51 C ATOM 655 C LYS A 42 8.960 1.853 -0.825 1.00 22.30 C ATOM 656 O LYS A 42 8.732 2.441 -1.884 1.00 24.53 O ATOM 657 CB LYS A 42 11.014 0.562 -0.102 1.00 24.33 C ATOM 658 CG LYS A 42 11.343 -0.016 -1.475 1.00 62.14 C ATOM 659 CD LYS A 42 12.324 0.870 -2.240 1.00 33.01 C ATOM 660 CE LYS A 42 12.662 0.300 -3.609 1.00 60.32 C ATOM 661 NZ LYS A 42 13.573 1.196 -4.369 1.00 72.54 N ATOM 0 H LYS A 42 9.700 1.879 1.850 1.00 13.55 H new ATOM 0 HA LYS A 42 10.974 2.614 -0.736 1.00 24.51 H new ATOM 0 HB2 LYS A 42 11.933 0.634 0.480 1.00 24.33 H new ATOM 0 HB3 LYS A 42 10.357 -0.130 0.424 1.00 24.33 H new ATOM 0 HG2 LYS A 42 11.768 -1.013 -1.358 1.00 62.14 H new ATOM 0 HG3 LYS A 42 10.425 -0.126 -2.053 1.00 62.14 H new ATOM 0 HD2 LYS A 42 11.896 1.866 -2.358 1.00 33.01 H new ATOM 0 HD3 LYS A 42 13.239 0.983 -1.659 1.00 33.01 H new ATOM 0 HE2 LYS A 42 13.129 -0.678 -3.491 1.00 60.32 H new ATOM 0 HE3 LYS A 42 11.744 0.148 -4.177 1.00 60.32 H new ATOM 0 HZ1 LYS A 42 13.781 0.774 -5.297 1.00 72.54 H new ATOM 0 HZ2 LYS A 42 13.117 2.121 -4.504 1.00 72.54 H new ATOM 0 HZ3 LYS A 42 14.459 1.320 -3.839 1.00 72.54 H new ATOM 675 N GLU A 43 8.043 1.109 -0.197 1.00 64.02 N ATOM 676 CA GLU A 43 6.634 1.039 -0.625 1.00 41.54 C ATOM 677 C GLU A 43 5.694 1.002 0.592 1.00 53.40 C ATOM 678 O GLU A 43 6.114 0.671 1.703 1.00 51.32 O ATOM 679 CB GLU A 43 6.377 -0.200 -1.501 1.00 32.35 C ATOM 680 CG GLU A 43 7.136 -0.198 -2.820 1.00 35.30 C ATOM 681 CD GLU A 43 6.641 -1.263 -3.794 1.00 33.11 C ATOM 682 OE1 GLU A 43 5.554 -1.083 -4.391 1.00 72.45 O ATOM 683 OE2 GLU A 43 7.330 -2.290 -3.965 1.00 42.54 O ATOM 0 H GLU A 43 8.252 0.538 0.622 1.00 64.02 H new ATOM 0 HA GLU A 43 6.430 1.935 -1.212 1.00 41.54 H new ATOM 0 HB2 GLU A 43 6.651 -1.092 -0.938 1.00 32.35 H new ATOM 0 HB3 GLU A 43 5.309 -0.269 -1.709 1.00 32.35 H new ATOM 0 HG2 GLU A 43 7.043 0.783 -3.285 1.00 35.30 H new ATOM 0 HG3 GLU A 43 8.196 -0.358 -2.623 1.00 35.30 H new ATOM 690 N ARG A 44 4.422 1.338 0.381 1.00 35.34 N ATOM 691 CA ARG A 44 3.419 1.317 1.457 1.00 73.22 C ATOM 692 C ARG A 44 2.285 0.326 1.132 1.00 31.44 C ATOM 693 O ARG A 44 1.563 0.500 0.150 1.00 74.32 O ATOM 694 CB ARG A 44 2.831 2.721 1.672 1.00 75.45 C ATOM 695 CG ARG A 44 3.879 3.821 1.843 1.00 55.22 C ATOM 696 CD ARG A 44 3.234 5.163 2.173 1.00 42.23 C ATOM 697 NE ARG A 44 4.183 6.277 2.093 1.00 60.31 N ATOM 698 CZ ARG A 44 4.378 7.152 3.048 1.00 64.32 C ATOM 699 NH1 ARG A 44 3.842 6.986 4.211 1.00 3.41 N ATOM 700 NH2 ARG A 44 5.145 8.174 2.847 1.00 25.25 N ATOM 0 H ARG A 44 4.056 1.629 -0.526 1.00 35.34 H new ATOM 0 HA ARG A 44 3.917 0.993 2.371 1.00 73.22 H new ATOM 0 HB2 ARG A 44 2.195 2.970 0.823 1.00 75.45 H new ATOM 0 HB3 ARG A 44 2.192 2.704 2.555 1.00 75.45 H new ATOM 0 HG2 ARG A 44 4.572 3.544 2.638 1.00 55.22 H new ATOM 0 HG3 ARG A 44 4.464 3.913 0.928 1.00 55.22 H new ATOM 0 HD2 ARG A 44 2.408 5.344 1.486 1.00 42.23 H new ATOM 0 HD3 ARG A 44 2.811 5.122 3.177 1.00 42.23 H new ATOM 0 HE ARG A 44 4.728 6.378 1.237 1.00 60.31 H new ATOM 0 HH11 ARG A 44 3.261 6.168 4.393 1.00 3.41 H new ATOM 0 HH12 ARG A 44 4.000 7.673 4.948 1.00 3.41 H new ATOM 0 HH21 ARG A 44 5.600 8.300 1.943 1.00 25.25 H new ATOM 0 HH22 ARG A 44 5.295 8.854 3.593 1.00 25.25 H new ATOM 714 N THR A 45 2.131 -0.705 1.962 1.00 2.33 N ATOM 715 CA THR A 45 1.095 -1.733 1.748 1.00 51.21 C ATOM 716 C THR A 45 -0.178 -1.446 2.568 1.00 53.41 C ATOM 717 O THR A 45 -0.132 -1.365 3.800 1.00 11.32 O ATOM 718 CB THR A 45 1.618 -3.144 2.123 1.00 23.32 C ATOM 719 OG1 THR A 45 2.821 -3.437 1.391 1.00 54.35 O ATOM 720 CG2 THR A 45 0.570 -4.219 1.835 1.00 35.04 C ATOM 0 H THR A 45 2.707 -0.857 2.790 1.00 2.33 H new ATOM 0 HA THR A 45 0.848 -1.702 0.687 1.00 51.21 H new ATOM 0 HB THR A 45 1.830 -3.147 3.192 1.00 23.32 H new ATOM 0 HG1 THR A 45 3.144 -4.329 1.636 1.00 54.35 H new ATOM 0 HG21 THR A 45 0.967 -5.197 2.108 1.00 35.04 H new ATOM 0 HG22 THR A 45 -0.329 -4.016 2.418 1.00 35.04 H new ATOM 0 HG23 THR A 45 0.323 -4.212 0.773 1.00 35.04 H new ATOM 728 N TYR A 46 -1.311 -1.306 1.878 1.00 63.40 N ATOM 729 CA TYR A 46 -2.603 -1.018 2.522 1.00 72.32 C ATOM 730 C TYR A 46 -3.548 -2.233 2.489 1.00 1.04 C ATOM 731 O TYR A 46 -3.463 -3.086 1.601 1.00 65.01 O ATOM 732 CB TYR A 46 -3.298 0.155 1.816 1.00 33.02 C ATOM 733 CG TYR A 46 -2.516 1.455 1.830 1.00 4.10 C ATOM 734 CD1 TYR A 46 -1.453 1.658 0.960 1.00 21.03 C ATOM 735 CD2 TYR A 46 -2.855 2.484 2.700 1.00 12.21 C ATOM 736 CE1 TYR A 46 -0.750 2.843 0.957 1.00 52.54 C ATOM 737 CE2 TYR A 46 -2.159 3.678 2.701 1.00 10.35 C ATOM 738 CZ TYR A 46 -1.106 3.853 1.827 1.00 10.33 C ATOM 739 OH TYR A 46 -0.407 5.041 1.821 1.00 1.03 O ATOM 0 H TYR A 46 -1.364 -1.388 0.863 1.00 63.40 H new ATOM 0 HA TYR A 46 -2.389 -0.768 3.561 1.00 72.32 H new ATOM 0 HB2 TYR A 46 -3.493 -0.125 0.781 1.00 33.02 H new ATOM 0 HB3 TYR A 46 -4.266 0.324 2.288 1.00 33.02 H new ATOM 0 HD1 TYR A 46 -1.172 0.873 0.273 1.00 21.03 H new ATOM 0 HD2 TYR A 46 -3.677 2.348 3.388 1.00 12.21 H new ATOM 0 HE1 TYR A 46 0.077 2.981 0.276 1.00 52.54 H new ATOM 0 HE2 TYR A 46 -2.438 4.469 3.382 1.00 10.35 H new ATOM 0 HH TYR A 46 0.426 4.933 2.326 1.00 1.03 H new ATOM 749 N ASP A 47 -4.462 -2.282 3.457 1.00 31.32 N ATOM 750 CA ASP A 47 -5.517 -3.300 3.502 1.00 25.41 C ATOM 751 C ASP A 47 -6.825 -2.755 2.903 1.00 60.53 C ATOM 752 O ASP A 47 -7.443 -1.849 3.471 1.00 74.55 O ATOM 753 CB ASP A 47 -5.774 -3.726 4.954 1.00 32.23 C ATOM 754 CG ASP A 47 -4.574 -4.384 5.604 1.00 12.14 C ATOM 755 OD1 ASP A 47 -4.023 -5.341 5.025 1.00 62.03 O ATOM 756 OD2 ASP A 47 -4.175 -3.950 6.701 1.00 32.00 O ATOM 0 H ASP A 47 -4.494 -1.620 4.232 1.00 31.32 H new ATOM 0 HA ASP A 47 -5.185 -4.158 2.917 1.00 25.41 H new ATOM 0 HB2 ASP A 47 -6.061 -2.851 5.537 1.00 32.23 H new ATOM 0 HB3 ASP A 47 -6.617 -4.416 4.980 1.00 32.23 H new ATOM 761 N LEU A 48 -7.242 -3.297 1.759 1.00 63.31 N ATOM 762 CA LEU A 48 -8.516 -2.901 1.136 1.00 15.53 C ATOM 763 C LEU A 48 -9.430 -4.118 0.918 1.00 15.41 C ATOM 764 O LEU A 48 -8.972 -5.181 0.492 1.00 61.30 O ATOM 765 CB LEU A 48 -8.266 -2.205 -0.215 1.00 55.31 C ATOM 766 CG LEU A 48 -7.406 -0.929 -0.171 1.00 71.53 C ATOM 767 CD1 LEU A 48 -7.264 -0.321 -1.566 1.00 41.21 C ATOM 768 CD2 LEU A 48 -7.992 0.096 0.794 1.00 60.44 C ATOM 0 H LEU A 48 -6.723 -4.008 1.243 1.00 63.31 H new ATOM 0 HA LEU A 48 -9.010 -2.207 1.816 1.00 15.53 H new ATOM 0 HB2 LEU A 48 -7.787 -2.919 -0.885 1.00 55.31 H new ATOM 0 HB3 LEU A 48 -9.231 -1.953 -0.655 1.00 55.31 H new ATOM 0 HG LEU A 48 -6.416 -1.210 0.188 1.00 71.53 H new ATOM 0 HD11 LEU A 48 -6.652 0.579 -1.510 1.00 41.21 H new ATOM 0 HD12 LEU A 48 -6.788 -1.042 -2.230 1.00 41.21 H new ATOM 0 HD13 LEU A 48 -8.250 -0.066 -1.954 1.00 41.21 H new ATOM 0 HD21 LEU A 48 -7.364 0.987 0.804 1.00 60.44 H new ATOM 0 HD22 LEU A 48 -8.998 0.365 0.472 1.00 60.44 H new ATOM 0 HD23 LEU A 48 -8.034 -0.330 1.796 1.00 60.44 H new ATOM 780 N LYS A 49 -10.724 -3.965 1.212 1.00 45.14 N ATOM 781 CA LYS A 49 -11.701 -5.024 0.924 1.00 60.20 C ATOM 782 C LYS A 49 -12.439 -4.729 -0.389 1.00 45.21 C ATOM 783 O LYS A 49 -12.771 -3.578 -0.681 1.00 44.14 O ATOM 784 CB LYS A 49 -12.718 -5.194 2.071 1.00 72.24 C ATOM 785 CG LYS A 49 -13.657 -4.002 2.281 1.00 52.03 C ATOM 786 CD LYS A 49 -13.239 -3.123 3.457 1.00 0.15 C ATOM 787 CE LYS A 49 -13.415 -3.841 4.792 1.00 40.23 C ATOM 788 NZ LYS A 49 -13.027 -2.978 5.936 1.00 22.05 N ATOM 0 H LYS A 49 -11.118 -3.129 1.644 1.00 45.14 H new ATOM 0 HA LYS A 49 -11.148 -5.958 0.826 1.00 60.20 H new ATOM 0 HB2 LYS A 49 -13.319 -6.082 1.876 1.00 72.24 H new ATOM 0 HB3 LYS A 49 -12.173 -5.376 2.997 1.00 72.24 H new ATOM 0 HG2 LYS A 49 -13.681 -3.400 1.373 1.00 52.03 H new ATOM 0 HG3 LYS A 49 -14.670 -4.368 2.448 1.00 52.03 H new ATOM 0 HD2 LYS A 49 -12.197 -2.828 3.338 1.00 0.15 H new ATOM 0 HD3 LYS A 49 -13.831 -2.208 3.456 1.00 0.15 H new ATOM 0 HE2 LYS A 49 -14.454 -4.149 4.905 1.00 40.23 H new ATOM 0 HE3 LYS A 49 -12.811 -4.748 4.799 1.00 40.23 H new ATOM 0 HZ1 LYS A 49 -13.208 -3.482 6.828 1.00 22.05 H new ATOM 0 HZ2 LYS A 49 -12.015 -2.746 5.868 1.00 22.05 H new ATOM 0 HZ3 LYS A 49 -13.585 -2.101 5.914 1.00 22.05 H new ATOM 802 N SER A 50 -12.682 -5.772 -1.180 1.00 73.12 N ATOM 803 CA SER A 50 -13.362 -5.624 -2.472 1.00 55.40 C ATOM 804 C SER A 50 -14.506 -6.635 -2.624 1.00 4.21 C ATOM 805 O SER A 50 -14.462 -7.735 -2.070 1.00 24.42 O ATOM 806 CB SER A 50 -12.362 -5.795 -3.624 1.00 3.55 C ATOM 807 OG SER A 50 -11.766 -7.084 -3.604 1.00 20.51 O ATOM 0 H SER A 50 -12.419 -6.731 -0.952 1.00 73.12 H new ATOM 0 HA SER A 50 -13.787 -4.621 -2.508 1.00 55.40 H new ATOM 0 HB2 SER A 50 -12.871 -5.642 -4.576 1.00 3.55 H new ATOM 0 HB3 SER A 50 -11.587 -5.032 -3.551 1.00 3.55 H new ATOM 0 HG SER A 50 -11.135 -7.164 -4.350 1.00 20.51 H new ATOM 866 N ARG A 55 -11.850 -11.667 -0.813 1.00 32.52 N ATOM 867 CA ARG A 55 -10.428 -11.619 -0.454 1.00 23.45 C ATOM 868 C ARG A 55 -9.956 -10.192 -0.130 1.00 43.42 C ATOM 869 O ARG A 55 -10.187 -9.258 -0.898 1.00 31.52 O ATOM 870 CB ARG A 55 -9.573 -12.210 -1.588 1.00 13.52 C ATOM 871 CG ARG A 55 -9.421 -13.730 -1.529 1.00 73.50 C ATOM 872 CD ARG A 55 -8.607 -14.163 -0.311 1.00 0.04 C ATOM 873 NE ARG A 55 -8.364 -15.604 -0.283 1.00 34.53 N ATOM 874 CZ ARG A 55 -7.361 -16.163 0.344 1.00 41.42 C ATOM 875 NH1 ARG A 55 -6.504 -15.446 0.992 1.00 32.23 N ATOM 876 NH2 ARG A 55 -7.222 -17.445 0.325 1.00 3.32 N ATOM 0 HA ARG A 55 -10.304 -12.217 0.449 1.00 23.45 H new ATOM 0 HB2 ARG A 55 -10.019 -11.937 -2.544 1.00 13.52 H new ATOM 0 HB3 ARG A 55 -8.583 -11.755 -1.557 1.00 13.52 H new ATOM 0 HG2 ARG A 55 -10.406 -14.194 -1.493 1.00 73.50 H new ATOM 0 HG3 ARG A 55 -8.934 -14.084 -2.438 1.00 73.50 H new ATOM 0 HD2 ARG A 55 -7.652 -13.637 -0.310 1.00 0.04 H new ATOM 0 HD3 ARG A 55 -9.134 -13.869 0.597 1.00 0.04 H new ATOM 0 HE ARG A 55 -9.015 -16.210 -0.782 1.00 34.53 H new ATOM 0 HH11 ARG A 55 -6.605 -14.431 1.019 1.00 32.23 H new ATOM 0 HH12 ARG A 55 -5.727 -15.894 1.477 1.00 32.23 H new ATOM 0 HH21 ARG A 55 -7.894 -18.023 -0.179 1.00 3.32 H new ATOM 0 HH22 ARG A 55 -6.440 -17.880 0.814 1.00 3.32 H new ATOM 890 N MET A 56 -9.301 -10.035 1.020 1.00 44.22 N ATOM 891 CA MET A 56 -8.649 -8.768 1.371 1.00 42.10 C ATOM 892 C MET A 56 -7.379 -8.578 0.524 1.00 21.21 C ATOM 893 O MET A 56 -6.450 -9.382 0.592 1.00 62.50 O ATOM 894 CB MET A 56 -8.321 -8.727 2.875 1.00 5.31 C ATOM 895 CG MET A 56 -7.436 -9.873 3.359 1.00 21.35 C ATOM 896 SD MET A 56 -7.092 -9.790 5.133 1.00 63.43 S ATOM 897 CE MET A 56 -8.743 -9.946 5.817 1.00 72.51 C ATOM 0 H MET A 56 -9.206 -10.766 1.725 1.00 44.22 H new ATOM 0 HA MET A 56 -9.333 -7.947 1.156 1.00 42.10 H new ATOM 0 HB2 MET A 56 -7.827 -7.782 3.101 1.00 5.31 H new ATOM 0 HB3 MET A 56 -9.254 -8.742 3.438 1.00 5.31 H new ATOM 0 HG2 MET A 56 -7.921 -10.822 3.131 1.00 21.35 H new ATOM 0 HG3 MET A 56 -6.495 -9.856 2.810 1.00 21.35 H new ATOM 0 HE1 MET A 56 -8.676 -10.231 6.867 1.00 72.51 H new ATOM 0 HE2 MET A 56 -9.264 -8.992 5.732 1.00 72.51 H new ATOM 0 HE3 MET A 56 -9.294 -10.710 5.268 1.00 72.51 H new ATOM 907 N ILE A 57 -7.343 -7.519 -0.275 1.00 44.11 N ATOM 908 CA ILE A 57 -6.249 -7.320 -1.230 1.00 1.30 C ATOM 909 C ILE A 57 -5.142 -6.424 -0.656 1.00 62.51 C ATOM 910 O ILE A 57 -5.417 -5.421 0.010 1.00 61.12 O ATOM 911 CB ILE A 57 -6.767 -6.715 -2.562 1.00 34.42 C ATOM 912 CG1 ILE A 57 -7.395 -5.326 -2.336 1.00 41.25 C ATOM 913 CG2 ILE A 57 -7.776 -7.662 -3.216 1.00 71.41 C ATOM 914 CD1 ILE A 57 -7.899 -4.667 -3.606 1.00 60.11 C ATOM 0 H ILE A 57 -8.052 -6.786 -0.285 1.00 44.11 H new ATOM 0 HA ILE A 57 -5.826 -8.305 -1.427 1.00 1.30 H new ATOM 0 HB ILE A 57 -5.916 -6.591 -3.232 1.00 34.42 H new ATOM 0 HG12 ILE A 57 -8.224 -5.422 -1.634 1.00 41.25 H new ATOM 0 HG13 ILE A 57 -6.656 -4.675 -1.869 1.00 41.25 H new ATOM 0 HG21 ILE A 57 -8.132 -7.226 -4.150 1.00 71.41 H new ATOM 0 HG22 ILE A 57 -7.296 -8.619 -3.422 1.00 71.41 H new ATOM 0 HG23 ILE A 57 -8.619 -7.816 -2.543 1.00 71.41 H new ATOM 0 HD11 ILE A 57 -8.327 -3.694 -3.366 1.00 60.11 H new ATOM 0 HD12 ILE A 57 -7.070 -4.537 -4.302 1.00 60.11 H new ATOM 0 HD13 ILE A 57 -8.662 -5.296 -4.064 1.00 60.11 H new ATOM 926 N GLN A 58 -3.888 -6.804 -0.904 1.00 75.55 N ATOM 927 CA GLN A 58 -2.741 -6.021 -0.436 1.00 32.25 C ATOM 928 C GLN A 58 -2.276 -5.031 -1.512 1.00 23.44 C ATOM 929 O GLN A 58 -1.633 -5.417 -2.485 1.00 52.52 O ATOM 930 CB GLN A 58 -1.591 -6.967 -0.058 1.00 34.13 C ATOM 931 CG GLN A 58 -1.957 -7.971 1.032 1.00 64.23 C ATOM 932 CD GLN A 58 -2.190 -7.316 2.386 1.00 74.11 C ATOM 933 OE1 GLN A 58 -1.273 -7.190 3.189 1.00 51.23 O ATOM 934 NE2 GLN A 58 -3.409 -6.889 2.648 1.00 43.25 N ATOM 0 H GLN A 58 -3.640 -7.646 -1.424 1.00 75.55 H new ATOM 0 HA GLN A 58 -3.045 -5.450 0.441 1.00 32.25 H new ATOM 0 HB2 GLN A 58 -1.271 -7.510 -0.947 1.00 34.13 H new ATOM 0 HB3 GLN A 58 -0.740 -6.374 0.277 1.00 34.13 H new ATOM 0 HG2 GLN A 58 -2.857 -8.510 0.735 1.00 64.23 H new ATOM 0 HG3 GLN A 58 -1.159 -8.708 1.123 1.00 64.23 H new ATOM 0 HE21 GLN A 58 -4.151 -7.009 1.958 1.00 43.25 H new ATOM 0 HE22 GLN A 58 -3.611 -6.439 3.541 1.00 43.25 H new ATOM 943 N VAL A 59 -2.591 -3.753 -1.326 1.00 4.45 N ATOM 944 CA VAL A 59 -2.241 -2.718 -2.309 1.00 30.25 C ATOM 945 C VAL A 59 -0.965 -1.968 -1.905 1.00 20.54 C ATOM 946 O VAL A 59 -0.931 -1.287 -0.884 1.00 23.02 O ATOM 947 CB VAL A 59 -3.397 -1.702 -2.495 1.00 73.23 C ATOM 948 CG1 VAL A 59 -3.020 -0.613 -3.503 1.00 53.41 C ATOM 949 CG2 VAL A 59 -4.672 -2.424 -2.926 1.00 53.45 C ATOM 0 H VAL A 59 -3.087 -3.403 -0.506 1.00 4.45 H new ATOM 0 HA VAL A 59 -2.064 -3.230 -3.255 1.00 30.25 H new ATOM 0 HB VAL A 59 -3.580 -1.215 -1.537 1.00 73.23 H new ATOM 0 HG11 VAL A 59 -3.850 0.085 -3.612 1.00 53.41 H new ATOM 0 HG12 VAL A 59 -2.140 -0.077 -3.147 1.00 53.41 H new ATOM 0 HG13 VAL A 59 -2.801 -1.070 -4.468 1.00 53.41 H new ATOM 0 HG21 VAL A 59 -5.476 -1.699 -3.053 1.00 53.45 H new ATOM 0 HG22 VAL A 59 -4.497 -2.940 -3.870 1.00 53.45 H new ATOM 0 HG23 VAL A 59 -4.955 -3.149 -2.163 1.00 53.45 H new ATOM 959 N SER A 60 0.079 -2.093 -2.720 1.00 30.53 N ATOM 960 CA SER A 60 1.375 -1.464 -2.423 1.00 10.42 C ATOM 961 C SER A 60 1.687 -0.321 -3.397 1.00 43.11 C ATOM 962 O SER A 60 1.704 -0.514 -4.613 1.00 35.23 O ATOM 963 CB SER A 60 2.503 -2.504 -2.475 1.00 30.45 C ATOM 964 OG SER A 60 3.745 -1.930 -2.103 1.00 4.40 O ATOM 0 H SER A 60 0.059 -2.622 -3.592 1.00 30.53 H new ATOM 0 HA SER A 60 1.309 -1.048 -1.417 1.00 10.42 H new ATOM 0 HB2 SER A 60 2.268 -3.333 -1.808 1.00 30.45 H new ATOM 0 HB3 SER A 60 2.576 -2.915 -3.482 1.00 30.45 H new ATOM 0 HG SER A 60 4.209 -1.607 -2.904 1.00 4.40 H new ATOM 970 N ILE A 61 1.935 0.868 -2.852 1.00 70.05 N ATOM 971 CA ILE A 61 2.318 2.037 -3.659 1.00 42.11 C ATOM 972 C ILE A 61 3.747 2.494 -3.321 1.00 11.12 C ATOM 973 O ILE A 61 4.185 2.377 -2.175 1.00 31.32 O ATOM 974 CB ILE A 61 1.331 3.218 -3.451 1.00 34.21 C ATOM 975 CG1 ILE A 61 1.280 3.630 -1.971 1.00 45.51 C ATOM 976 CG2 ILE A 61 -0.062 2.849 -3.965 1.00 32.31 C ATOM 977 CD1 ILE A 61 0.366 4.804 -1.691 1.00 14.01 C ATOM 0 H ILE A 61 1.879 1.053 -1.851 1.00 70.05 H new ATOM 0 HA ILE A 61 2.279 1.732 -4.705 1.00 42.11 H new ATOM 0 HB ILE A 61 1.690 4.072 -4.025 1.00 34.21 H new ATOM 0 HG12 ILE A 61 0.951 2.777 -1.378 1.00 45.51 H new ATOM 0 HG13 ILE A 61 2.288 3.880 -1.639 1.00 45.51 H new ATOM 0 HG21 ILE A 61 -0.741 3.688 -3.811 1.00 32.31 H new ATOM 0 HG22 ILE A 61 -0.008 2.616 -5.029 1.00 32.31 H new ATOM 0 HG23 ILE A 61 -0.432 1.979 -3.422 1.00 32.31 H new ATOM 0 HD11 ILE A 61 0.385 5.034 -0.626 1.00 14.01 H new ATOM 0 HD12 ILE A 61 0.706 5.672 -2.255 1.00 14.01 H new ATOM 0 HD13 ILE A 61 -0.651 4.552 -1.990 1.00 14.01 H new ATOM 989 N PRO A 62 4.500 3.027 -4.305 1.00 60.24 N ATOM 990 CA PRO A 62 5.904 3.440 -4.091 1.00 61.14 C ATOM 991 C PRO A 62 6.064 4.597 -3.077 1.00 70.05 C ATOM 992 O PRO A 62 5.137 5.376 -2.849 1.00 4.04 O ATOM 993 CB PRO A 62 6.364 3.878 -5.490 1.00 34.11 C ATOM 994 CG PRO A 62 5.106 4.211 -6.224 1.00 50.44 C ATOM 995 CD PRO A 62 4.057 3.273 -5.693 1.00 52.14 C ATOM 0 HA PRO A 62 6.492 2.629 -3.661 1.00 61.14 H new ATOM 0 HB2 PRO A 62 7.029 4.740 -5.435 1.00 34.11 H new ATOM 0 HB3 PRO A 62 6.915 3.082 -5.992 1.00 34.11 H new ATOM 0 HG2 PRO A 62 4.821 5.250 -6.058 1.00 50.44 H new ATOM 0 HG3 PRO A 62 5.236 4.084 -7.299 1.00 50.44 H new ATOM 0 HD2 PRO A 62 3.063 3.719 -5.726 1.00 52.14 H new ATOM 0 HD3 PRO A 62 4.011 2.350 -6.271 1.00 52.14 H new ATOM 1003 N ALA A 63 7.263 4.709 -2.494 1.00 32.02 N ATOM 1004 CA ALA A 63 7.557 5.715 -1.456 1.00 31.42 C ATOM 1005 C ALA A 63 7.290 7.152 -1.925 1.00 34.23 C ATOM 1006 O ALA A 63 6.892 8.005 -1.130 1.00 61.24 O ATOM 1007 CB ALA A 63 9.002 5.582 -0.990 1.00 12.05 C ATOM 0 H ALA A 63 8.056 4.110 -2.724 1.00 32.02 H new ATOM 0 HA ALA A 63 6.879 5.518 -0.626 1.00 31.42 H new ATOM 0 HB1 ALA A 63 9.208 6.330 -0.224 1.00 12.05 H new ATOM 0 HB2 ALA A 63 9.161 4.586 -0.577 1.00 12.05 H new ATOM 0 HB3 ALA A 63 9.673 5.735 -1.836 1.00 12.05 H new ATOM 1013 N SER A 64 7.511 7.418 -3.214 1.00 23.11 N ATOM 1014 CA SER A 64 7.278 8.758 -3.785 1.00 33.24 C ATOM 1015 C SER A 64 5.822 9.213 -3.593 1.00 22.01 C ATOM 1016 O SER A 64 5.518 10.404 -3.678 1.00 45.23 O ATOM 1017 CB SER A 64 7.629 8.780 -5.280 1.00 40.12 C ATOM 1018 OG SER A 64 8.998 8.460 -5.499 1.00 5.30 O ATOM 0 H SER A 64 7.850 6.729 -3.886 1.00 23.11 H new ATOM 0 HA SER A 64 7.927 9.451 -3.250 1.00 33.24 H new ATOM 0 HB2 SER A 64 6.998 8.069 -5.813 1.00 40.12 H new ATOM 0 HB3 SER A 64 7.415 9.767 -5.691 1.00 40.12 H new ATOM 0 HG SER A 64 9.189 8.481 -6.460 1.00 5.30 H new ATOM 1024 N VAL A 65 4.930 8.260 -3.342 1.00 51.35 N ATOM 1025 CA VAL A 65 3.521 8.561 -3.082 1.00 50.10 C ATOM 1026 C VAL A 65 3.270 8.748 -1.573 1.00 32.23 C ATOM 1027 O VAL A 65 3.622 7.883 -0.765 1.00 31.33 O ATOM 1028 CB VAL A 65 2.603 7.434 -3.622 1.00 73.21 C ATOM 1029 CG1 VAL A 65 1.129 7.794 -3.438 1.00 34.34 C ATOM 1030 CG2 VAL A 65 2.915 7.147 -5.089 1.00 65.22 C ATOM 0 H VAL A 65 5.157 7.266 -3.312 1.00 51.35 H new ATOM 0 HA VAL A 65 3.283 9.490 -3.601 1.00 50.10 H new ATOM 0 HB VAL A 65 2.799 6.529 -3.047 1.00 73.21 H new ATOM 0 HG11 VAL A 65 0.506 6.987 -3.825 1.00 34.34 H new ATOM 0 HG12 VAL A 65 0.919 7.938 -2.378 1.00 34.34 H new ATOM 0 HG13 VAL A 65 0.909 8.714 -3.980 1.00 34.34 H new ATOM 0 HG21 VAL A 65 2.261 6.354 -5.451 1.00 65.22 H new ATOM 0 HG22 VAL A 65 2.752 8.049 -5.679 1.00 65.22 H new ATOM 0 HG23 VAL A 65 3.954 6.833 -5.185 1.00 65.22 H new ATOM 1040 N PRO A 66 2.673 9.888 -1.165 1.00 71.42 N ATOM 1041 CA PRO A 66 2.403 10.174 0.257 1.00 2.20 C ATOM 1042 C PRO A 66 1.300 9.276 0.858 1.00 35.40 C ATOM 1043 O PRO A 66 0.512 8.663 0.135 1.00 53.31 O ATOM 1044 CB PRO A 66 1.957 11.644 0.239 1.00 13.22 C ATOM 1045 CG PRO A 66 1.394 11.848 -1.128 1.00 4.54 C ATOM 1046 CD PRO A 66 2.218 10.985 -2.046 1.00 33.50 C ATOM 0 HA PRO A 66 3.276 9.981 0.880 1.00 2.20 H new ATOM 0 HB2 PRO A 66 1.211 11.842 1.009 1.00 13.22 H new ATOM 0 HB3 PRO A 66 2.795 12.315 0.427 1.00 13.22 H new ATOM 0 HG2 PRO A 66 0.342 11.564 -1.164 1.00 4.54 H new ATOM 0 HG3 PRO A 66 1.451 12.896 -1.422 1.00 4.54 H new ATOM 0 HD2 PRO A 66 1.628 10.611 -2.883 1.00 33.50 H new ATOM 0 HD3 PRO A 66 3.058 11.536 -2.469 1.00 33.50 H new ATOM 1054 N LEU A 67 1.255 9.210 2.186 1.00 3.11 N ATOM 1055 CA LEU A 67 0.232 8.438 2.902 1.00 2.22 C ATOM 1056 C LEU A 67 -1.144 9.128 2.822 1.00 75.53 C ATOM 1057 O LEU A 67 -1.235 10.357 2.860 1.00 63.14 O ATOM 1058 CB LEU A 67 0.650 8.278 4.373 1.00 51.50 C ATOM 1059 CG LEU A 67 -0.292 7.434 5.252 1.00 44.43 C ATOM 1060 CD1 LEU A 67 -0.317 5.983 4.792 1.00 64.51 C ATOM 1061 CD2 LEU A 67 0.112 7.520 6.719 1.00 10.50 C ATOM 0 H LEU A 67 1.920 9.685 2.797 1.00 3.11 H new ATOM 0 HA LEU A 67 0.146 7.458 2.432 1.00 2.22 H new ATOM 0 HB2 LEU A 67 1.642 7.828 4.402 1.00 51.50 H new ATOM 0 HB3 LEU A 67 0.737 9.270 4.816 1.00 51.50 H new ATOM 0 HG LEU A 67 -1.297 7.842 5.147 1.00 44.43 H new ATOM 0 HD11 LEU A 67 -0.990 5.410 5.430 1.00 64.51 H new ATOM 0 HD12 LEU A 67 -0.666 5.934 3.761 1.00 64.51 H new ATOM 0 HD13 LEU A 67 0.687 5.564 4.855 1.00 64.51 H new ATOM 0 HD21 LEU A 67 -0.568 6.916 7.320 1.00 10.50 H new ATOM 0 HD22 LEU A 67 1.130 7.148 6.839 1.00 10.50 H new ATOM 0 HD23 LEU A 67 0.064 8.558 7.049 1.00 10.50 H new ATOM 1073 N LYS A 68 -2.210 8.337 2.693 1.00 31.51 N ATOM 1074 CA LYS A 68 -3.575 8.882 2.671 1.00 60.21 C ATOM 1075 C LYS A 68 -4.355 8.495 3.935 1.00 13.05 C ATOM 1076 O LYS A 68 -4.773 7.349 4.102 1.00 40.51 O ATOM 1077 CB LYS A 68 -4.351 8.423 1.427 1.00 33.02 C ATOM 1078 CG LYS A 68 -3.828 8.986 0.103 1.00 64.12 C ATOM 1079 CD LYS A 68 -2.595 8.241 -0.399 1.00 43.32 C ATOM 1080 CE LYS A 68 -1.973 8.926 -1.613 1.00 74.33 C ATOM 1081 NZ LYS A 68 -2.942 9.105 -2.726 1.00 20.52 N ATOM 0 H LYS A 68 -2.159 7.322 2.602 1.00 31.51 H new ATOM 0 HA LYS A 68 -3.475 9.967 2.637 1.00 60.21 H new ATOM 0 HB2 LYS A 68 -4.323 7.334 1.379 1.00 33.02 H new ATOM 0 HB3 LYS A 68 -5.396 8.711 1.541 1.00 33.02 H new ATOM 0 HG2 LYS A 68 -4.615 8.929 -0.649 1.00 64.12 H new ATOM 0 HG3 LYS A 68 -3.585 10.041 0.231 1.00 64.12 H new ATOM 0 HD2 LYS A 68 -1.857 8.179 0.401 1.00 43.32 H new ATOM 0 HD3 LYS A 68 -2.869 7.219 -0.659 1.00 43.32 H new ATOM 0 HE2 LYS A 68 -1.582 9.899 -1.316 1.00 74.33 H new ATOM 0 HE3 LYS A 68 -1.126 8.336 -1.964 1.00 74.33 H new ATOM 0 HZ1 LYS A 68 -2.506 8.799 -3.619 1.00 20.52 H new ATOM 0 HZ2 LYS A 68 -3.791 8.534 -2.542 1.00 20.52 H new ATOM 0 HZ3 LYS A 68 -3.208 10.108 -2.797 1.00 20.52 H new ATOM 1095 N GLU A 69 -4.551 9.471 4.812 1.00 64.53 N ATOM 1096 CA GLU A 69 -5.273 9.267 6.070 1.00 44.03 C ATOM 1097 C GLU A 69 -6.793 9.153 5.839 1.00 14.02 C ATOM 1098 O GLU A 69 -7.542 10.098 6.107 1.00 52.20 O ATOM 1099 CB GLU A 69 -4.977 10.443 7.011 1.00 43.31 C ATOM 1100 CG GLU A 69 -3.504 10.599 7.389 1.00 64.21 C ATOM 1101 CD GLU A 69 -3.088 9.730 8.570 1.00 2.14 C ATOM 1102 OE1 GLU A 69 -2.785 8.537 8.370 1.00 74.11 O ATOM 1103 OE2 GLU A 69 -3.059 10.248 9.710 1.00 74.04 O ATOM 0 H GLU A 69 -4.217 10.425 4.676 1.00 64.53 H new ATOM 0 HA GLU A 69 -4.935 8.331 6.515 1.00 44.03 H new ATOM 0 HB2 GLU A 69 -5.317 11.364 6.538 1.00 43.31 H new ATOM 0 HB3 GLU A 69 -5.561 10.318 7.923 1.00 43.31 H new ATOM 0 HG2 GLU A 69 -2.886 10.347 6.527 1.00 64.21 H new ATOM 0 HG3 GLU A 69 -3.306 11.644 7.629 1.00 64.21 H new ATOM 1110 N PHE A 70 -7.242 8.012 5.320 1.00 65.54 N ATOM 1111 CA PHE A 70 -8.675 7.790 5.057 1.00 10.24 C ATOM 1112 C PHE A 70 -9.368 7.065 6.220 1.00 31.44 C ATOM 1113 O PHE A 70 -8.730 6.336 6.984 1.00 13.33 O ATOM 1114 CB PHE A 70 -8.874 6.984 3.764 1.00 52.51 C ATOM 1115 CG PHE A 70 -8.493 7.725 2.503 1.00 32.13 C ATOM 1116 CD1 PHE A 70 -8.788 9.073 2.360 1.00 51.32 C ATOM 1117 CD2 PHE A 70 -7.857 7.070 1.456 1.00 24.41 C ATOM 1118 CE1 PHE A 70 -8.456 9.751 1.204 1.00 22.15 C ATOM 1119 CE2 PHE A 70 -7.522 7.747 0.298 1.00 54.44 C ATOM 1120 CZ PHE A 70 -7.820 9.089 0.173 1.00 63.43 C ATOM 0 H PHE A 70 -6.642 7.225 5.072 1.00 65.54 H new ATOM 0 HA PHE A 70 -9.131 8.774 4.947 1.00 10.24 H new ATOM 0 HB2 PHE A 70 -8.284 6.069 3.826 1.00 52.51 H new ATOM 0 HB3 PHE A 70 -9.920 6.685 3.694 1.00 52.51 H new ATOM 0 HD1 PHE A 70 -9.284 9.599 3.163 1.00 51.32 H new ATOM 0 HD2 PHE A 70 -7.622 6.020 1.548 1.00 24.41 H new ATOM 0 HE1 PHE A 70 -8.694 10.800 1.106 1.00 22.15 H new ATOM 0 HE2 PHE A 70 -7.027 7.226 -0.508 1.00 54.44 H new ATOM 0 HZ PHE A 70 -7.556 9.620 -0.730 1.00 63.43 H new ATOM 1130 N ASP A 71 -10.680 7.271 6.348 1.00 63.45 N ATOM 1131 CA ASP A 71 -11.475 6.607 7.389 1.00 22.44 C ATOM 1132 C ASP A 71 -11.839 5.165 6.993 1.00 43.34 C ATOM 1133 O ASP A 71 -11.631 4.748 5.851 1.00 5.53 O ATOM 1134 CB ASP A 71 -12.743 7.423 7.683 1.00 60.43 C ATOM 1135 CG ASP A 71 -13.539 7.750 6.428 1.00 5.44 C ATOM 1136 OD1 ASP A 71 -13.103 8.641 5.662 1.00 24.11 O ATOM 1137 OD2 ASP A 71 -14.605 7.139 6.212 1.00 44.40 O ATOM 0 H ASP A 71 -11.217 7.893 5.744 1.00 63.45 H new ATOM 0 HA ASP A 71 -10.868 6.553 8.293 1.00 22.44 H new ATOM 0 HB2 ASP A 71 -13.376 6.866 8.374 1.00 60.43 H new ATOM 0 HB3 ASP A 71 -12.465 8.351 8.183 1.00 60.43 H new ATOM 1142 N TYR A 72 -12.387 4.409 7.939 1.00 54.40 N ATOM 1143 CA TYR A 72 -12.694 2.995 7.708 1.00 21.44 C ATOM 1144 C TYR A 72 -13.829 2.819 6.679 1.00 41.34 C ATOM 1145 O TYR A 72 -14.887 3.438 6.789 1.00 11.10 O ATOM 1146 CB TYR A 72 -13.053 2.301 9.032 1.00 1.03 C ATOM 1147 CG TYR A 72 -13.052 0.784 8.942 1.00 3.21 C ATOM 1148 CD1 TYR A 72 -11.857 0.071 8.942 1.00 34.13 C ATOM 1149 CD2 TYR A 72 -14.237 0.069 8.842 1.00 22.44 C ATOM 1150 CE1 TYR A 72 -11.847 -1.307 8.847 1.00 13.42 C ATOM 1151 CE2 TYR A 72 -14.233 -1.309 8.741 1.00 14.34 C ATOM 1152 CZ TYR A 72 -13.037 -1.991 8.745 1.00 60.12 C ATOM 1153 OH TYR A 72 -13.032 -3.364 8.625 1.00 62.34 O ATOM 0 H TYR A 72 -12.628 4.747 8.871 1.00 54.40 H new ATOM 0 HA TYR A 72 -11.801 2.526 7.295 1.00 21.44 H new ATOM 0 HB2 TYR A 72 -12.344 2.612 9.800 1.00 1.03 H new ATOM 0 HB3 TYR A 72 -14.039 2.637 9.353 1.00 1.03 H new ATOM 0 HD1 TYR A 72 -10.921 0.604 9.018 1.00 34.13 H new ATOM 0 HD2 TYR A 72 -15.178 0.599 8.843 1.00 22.44 H new ATOM 0 HE1 TYR A 72 -10.910 -1.845 8.853 1.00 13.42 H new ATOM 0 HE2 TYR A 72 -15.165 -1.849 8.659 1.00 14.34 H new ATOM 0 HH TYR A 72 -13.954 -3.690 8.565 1.00 62.34 H new ATOM 1163 N ASN A 73 -13.582 1.962 5.685 1.00 13.32 N ATOM 1164 CA ASN A 73 -14.537 1.676 4.597 1.00 4.03 C ATOM 1165 C ASN A 73 -14.728 2.865 3.634 1.00 14.10 C ATOM 1166 O ASN A 73 -15.697 2.903 2.874 1.00 3.25 O ATOM 1167 CB ASN A 73 -15.894 1.214 5.147 1.00 41.54 C ATOM 1168 CG ASN A 73 -15.807 -0.117 5.875 1.00 64.11 C ATOM 1169 OD1 ASN A 73 -14.941 -0.947 5.599 1.00 1.31 O ATOM 1170 ND2 ASN A 73 -16.713 -0.339 6.806 1.00 23.20 N ATOM 0 H ASN A 73 -12.709 1.440 5.607 1.00 13.32 H new ATOM 0 HA ASN A 73 -14.096 0.863 4.020 1.00 4.03 H new ATOM 0 HB2 ASN A 73 -16.283 1.971 5.828 1.00 41.54 H new ATOM 0 HB3 ASN A 73 -16.605 1.129 4.325 1.00 41.54 H new ATOM 0 HD21 ASN A 73 -16.710 -1.219 7.321 1.00 23.20 H new ATOM 0 HD22 ASN A 73 -17.418 0.369 7.011 1.00 23.20 H new ATOM 1177 N ALA A 74 -13.795 3.815 3.642 1.00 3.42 N ATOM 1178 CA ALA A 74 -13.822 4.925 2.681 1.00 54.43 C ATOM 1179 C ALA A 74 -13.658 4.409 1.238 1.00 73.01 C ATOM 1180 O ALA A 74 -12.775 3.594 0.963 1.00 73.12 O ATOM 1181 CB ALA A 74 -12.731 5.939 3.015 1.00 22.14 C ATOM 0 H ALA A 74 -13.014 3.842 4.297 1.00 3.42 H new ATOM 0 HA ALA A 74 -14.792 5.418 2.754 1.00 54.43 H new ATOM 0 HB1 ALA A 74 -12.762 6.757 2.295 1.00 22.14 H new ATOM 0 HB2 ALA A 74 -12.895 6.332 4.018 1.00 22.14 H new ATOM 0 HB3 ALA A 74 -11.756 5.453 2.970 1.00 22.14 H new ATOM 1187 N ARG A 75 -14.512 4.882 0.326 1.00 13.04 N ATOM 1188 CA ARG A 75 -14.486 4.421 -1.072 1.00 13.00 C ATOM 1189 C ARG A 75 -13.323 5.045 -1.861 1.00 24.42 C ATOM 1190 O ARG A 75 -13.255 6.266 -2.036 1.00 42.21 O ATOM 1191 CB ARG A 75 -15.804 4.750 -1.784 1.00 65.32 C ATOM 1192 CG ARG A 75 -17.039 4.090 -1.176 1.00 21.11 C ATOM 1193 CD ARG A 75 -18.289 4.422 -1.989 1.00 12.53 C ATOM 1194 NE ARG A 75 -18.418 5.863 -2.198 1.00 40.25 N ATOM 1195 CZ ARG A 75 -18.634 6.429 -3.356 1.00 23.40 C ATOM 1196 NH1 ARG A 75 -18.852 5.721 -4.415 1.00 63.33 N ATOM 1197 NH2 ARG A 75 -18.643 7.715 -3.447 1.00 23.23 N ATOM 0 H ARG A 75 -15.228 5.581 0.525 1.00 13.04 H new ATOM 0 HA ARG A 75 -14.346 3.340 -1.040 1.00 13.00 H new ATOM 0 HB2 ARG A 75 -15.945 5.831 -1.776 1.00 65.32 H new ATOM 0 HB3 ARG A 75 -15.723 4.446 -2.828 1.00 65.32 H new ATOM 0 HG2 ARG A 75 -16.899 3.010 -1.141 1.00 21.11 H new ATOM 0 HG3 ARG A 75 -17.168 4.428 -0.148 1.00 21.11 H new ATOM 0 HD2 ARG A 75 -18.244 3.915 -2.953 1.00 12.53 H new ATOM 0 HD3 ARG A 75 -19.172 4.047 -1.472 1.00 12.53 H new ATOM 0 HE ARG A 75 -18.333 6.470 -1.382 1.00 40.25 H new ATOM 0 HH11 ARG A 75 -18.857 4.703 -4.356 1.00 63.33 H new ATOM 0 HH12 ARG A 75 -19.019 6.180 -5.310 1.00 63.33 H new ATOM 0 HH21 ARG A 75 -18.482 8.286 -2.617 1.00 23.23 H new ATOM 0 HH22 ARG A 75 -18.811 8.161 -4.349 1.00 23.23 H new ATOM 1211 N VAL A 76 -12.430 4.194 -2.352 1.00 23.23 N ATOM 1212 CA VAL A 76 -11.267 4.629 -3.132 1.00 71.52 C ATOM 1213 C VAL A 76 -11.213 3.929 -4.502 1.00 34.20 C ATOM 1214 O VAL A 76 -11.861 2.904 -4.715 1.00 0.23 O ATOM 1215 CB VAL A 76 -9.945 4.344 -2.365 1.00 62.45 C ATOM 1216 CG1 VAL A 76 -9.910 5.100 -1.036 1.00 24.15 C ATOM 1217 CG2 VAL A 76 -9.759 2.844 -2.137 1.00 25.22 C ATOM 0 H VAL A 76 -12.487 3.184 -2.224 1.00 23.23 H new ATOM 0 HA VAL A 76 -11.373 5.703 -3.287 1.00 71.52 H new ATOM 0 HB VAL A 76 -9.118 4.700 -2.980 1.00 62.45 H new ATOM 0 HG11 VAL A 76 -8.975 4.884 -0.519 1.00 24.15 H new ATOM 0 HG12 VAL A 76 -9.981 6.171 -1.225 1.00 24.15 H new ATOM 0 HG13 VAL A 76 -10.749 4.785 -0.416 1.00 24.15 H new ATOM 0 HG21 VAL A 76 -8.827 2.671 -1.599 1.00 25.22 H new ATOM 0 HG22 VAL A 76 -10.594 2.459 -1.551 1.00 25.22 H new ATOM 0 HG23 VAL A 76 -9.723 2.332 -3.098 1.00 25.22 H new ATOM 1227 N GLU A 77 -10.453 4.501 -5.432 1.00 32.14 N ATOM 1228 CA GLU A 77 -10.163 3.849 -6.713 1.00 22.31 C ATOM 1229 C GLU A 77 -8.687 4.055 -7.095 1.00 72.21 C ATOM 1230 O GLU A 77 -8.079 5.078 -6.765 1.00 44.33 O ATOM 1231 CB GLU A 77 -11.103 4.349 -7.827 1.00 13.43 C ATOM 1232 CG GLU A 77 -11.015 5.843 -8.125 1.00 43.32 C ATOM 1233 CD GLU A 77 -11.925 6.257 -9.279 1.00 25.33 C ATOM 1234 OE1 GLU A 77 -11.507 6.124 -10.449 1.00 24.54 O ATOM 1235 OE2 GLU A 77 -13.062 6.712 -9.023 1.00 41.11 O ATOM 0 H GLU A 77 -10.023 5.420 -5.325 1.00 32.14 H new ATOM 0 HA GLU A 77 -10.342 2.780 -6.597 1.00 22.31 H new ATOM 0 HB2 GLU A 77 -10.883 3.798 -8.741 1.00 13.43 H new ATOM 0 HB3 GLU A 77 -12.130 4.109 -7.550 1.00 13.43 H new ATOM 0 HG2 GLU A 77 -11.285 6.406 -7.232 1.00 43.32 H new ATOM 0 HG3 GLU A 77 -9.984 6.103 -8.366 1.00 43.32 H new ATOM 1242 N LEU A 78 -8.109 3.065 -7.772 1.00 40.24 N ATOM 1243 CA LEU A 78 -6.675 3.073 -8.084 1.00 22.12 C ATOM 1244 C LEU A 78 -6.398 3.578 -9.507 1.00 42.24 C ATOM 1245 O LEU A 78 -7.094 3.215 -10.453 1.00 12.11 O ATOM 1246 CB LEU A 78 -6.097 1.662 -7.906 1.00 52.00 C ATOM 1247 CG LEU A 78 -6.233 1.076 -6.491 1.00 43.42 C ATOM 1248 CD1 LEU A 78 -5.671 -0.344 -6.429 1.00 60.04 C ATOM 1249 CD2 LEU A 78 -5.536 1.975 -5.472 1.00 3.22 C ATOM 0 H LEU A 78 -8.609 2.245 -8.117 1.00 40.24 H new ATOM 0 HA LEU A 78 -6.189 3.761 -7.392 1.00 22.12 H new ATOM 0 HB2 LEU A 78 -6.592 0.992 -8.609 1.00 52.00 H new ATOM 0 HB3 LEU A 78 -5.041 1.682 -8.174 1.00 52.00 H new ATOM 0 HG LEU A 78 -7.294 1.029 -6.244 1.00 43.42 H new ATOM 0 HD11 LEU A 78 -5.780 -0.735 -5.417 1.00 60.04 H new ATOM 0 HD12 LEU A 78 -6.216 -0.982 -7.125 1.00 60.04 H new ATOM 0 HD13 LEU A 78 -4.616 -0.330 -6.701 1.00 60.04 H new ATOM 0 HD21 LEU A 78 -5.642 1.546 -4.476 1.00 3.22 H new ATOM 0 HD22 LEU A 78 -4.478 2.056 -5.722 1.00 3.22 H new ATOM 0 HD23 LEU A 78 -5.990 2.966 -5.490 1.00 3.22 H new ATOM 1261 N ILE A 79 -5.368 4.417 -9.643 1.00 25.14 N ATOM 1262 CA ILE A 79 -4.958 4.942 -10.951 1.00 43.41 C ATOM 1263 C ILE A 79 -4.476 3.812 -11.886 1.00 73.05 C ATOM 1264 O ILE A 79 -5.153 3.457 -12.851 1.00 44.23 O ATOM 1265 CB ILE A 79 -3.839 6.008 -10.796 1.00 40.13 C ATOM 1266 CG1 ILE A 79 -4.319 7.170 -9.905 1.00 12.55 C ATOM 1267 CG2 ILE A 79 -3.382 6.525 -12.164 1.00 51.40 C ATOM 1268 CD1 ILE A 79 -5.550 7.886 -10.433 1.00 75.21 C ATOM 0 H ILE A 79 -4.801 4.749 -8.863 1.00 25.14 H new ATOM 0 HA ILE A 79 -5.834 5.411 -11.399 1.00 43.41 H new ATOM 0 HB ILE A 79 -2.984 5.536 -10.313 1.00 40.13 H new ATOM 0 HG12 ILE A 79 -4.535 6.785 -8.908 1.00 12.55 H new ATOM 0 HG13 ILE A 79 -3.509 7.892 -9.799 1.00 12.55 H new ATOM 0 HG21 ILE A 79 -2.598 7.270 -12.028 1.00 51.40 H new ATOM 0 HG22 ILE A 79 -2.995 5.695 -12.756 1.00 51.40 H new ATOM 0 HG23 ILE A 79 -4.227 6.978 -12.683 1.00 51.40 H new ATOM 0 HD11 ILE A 79 -5.824 8.690 -9.750 1.00 75.21 H new ATOM 0 HD12 ILE A 79 -5.334 8.303 -11.417 1.00 75.21 H new ATOM 0 HD13 ILE A 79 -6.376 7.179 -10.512 1.00 75.21 H new ATOM 1280 N ASN A 80 -3.303 3.246 -11.589 1.00 21.31 N ATOM 1281 CA ASN A 80 -2.762 2.115 -12.362 1.00 64.23 C ATOM 1282 C ASN A 80 -2.489 0.894 -11.459 1.00 3.43 C ATOM 1283 O ASN A 80 -1.371 0.707 -10.976 1.00 4.41 O ATOM 1284 CB ASN A 80 -1.473 2.533 -13.090 1.00 22.30 C ATOM 1285 CG ASN A 80 -1.718 3.570 -14.171 1.00 21.15 C ATOM 1286 OD1 ASN A 80 -2.761 3.576 -14.819 1.00 11.25 O ATOM 1287 ND2 ASN A 80 -0.764 4.458 -14.373 1.00 35.24 N ATOM 0 H ASN A 80 -2.707 3.550 -10.819 1.00 21.31 H new ATOM 0 HA ASN A 80 -3.512 1.828 -13.099 1.00 64.23 H new ATOM 0 HB2 ASN A 80 -0.764 2.932 -12.364 1.00 22.30 H new ATOM 0 HB3 ASN A 80 -1.011 1.652 -13.536 1.00 22.30 H new ATOM 0 HD21 ASN A 80 -0.880 5.178 -15.086 1.00 35.24 H new ATOM 0 HD22 ASN A 80 0.090 4.424 -13.817 1.00 35.24 H new ATOM 1294 N PRO A 81 -3.527 0.078 -11.171 1.00 53.23 N ATOM 1295 CA PRO A 81 -3.382 -1.154 -10.376 1.00 53.25 C ATOM 1296 C PRO A 81 -2.892 -2.365 -11.198 1.00 1.13 C ATOM 1297 O PRO A 81 -3.416 -2.652 -12.278 1.00 73.44 O ATOM 1298 CB PRO A 81 -4.806 -1.391 -9.869 1.00 32.31 C ATOM 1299 CG PRO A 81 -5.685 -0.856 -10.954 1.00 61.55 C ATOM 1300 CD PRO A 81 -4.929 0.291 -11.593 1.00 34.01 C ATOM 0 HA PRO A 81 -2.631 -1.045 -9.594 1.00 53.25 H new ATOM 0 HB2 PRO A 81 -4.993 -2.450 -9.693 1.00 32.31 H new ATOM 0 HB3 PRO A 81 -4.982 -0.875 -8.925 1.00 32.31 H new ATOM 0 HG2 PRO A 81 -5.910 -1.630 -11.688 1.00 61.55 H new ATOM 0 HG3 PRO A 81 -6.638 -0.515 -10.549 1.00 61.55 H new ATOM 0 HD2 PRO A 81 -5.025 0.276 -12.679 1.00 34.01 H new ATOM 0 HD3 PRO A 81 -5.306 1.256 -11.253 1.00 34.01 H new ATOM 1308 N ILE A 82 -1.890 -3.078 -10.681 1.00 43.24 N ATOM 1309 CA ILE A 82 -1.396 -4.309 -11.319 1.00 41.02 C ATOM 1310 C ILE A 82 -1.141 -5.420 -10.281 1.00 32.45 C ATOM 1311 O ILE A 82 -0.425 -5.216 -9.301 1.00 34.22 O ATOM 1312 CB ILE A 82 -0.092 -4.064 -12.136 1.00 64.33 C ATOM 1313 CG1 ILE A 82 1.019 -3.474 -11.247 1.00 43.23 C ATOM 1314 CG2 ILE A 82 -0.370 -3.152 -13.332 1.00 21.32 C ATOM 1315 CD1 ILE A 82 2.336 -3.259 -11.969 1.00 73.13 C ATOM 0 H ILE A 82 -1.401 -2.827 -9.821 1.00 43.24 H new ATOM 0 HA ILE A 82 -2.180 -4.630 -12.004 1.00 41.02 H new ATOM 0 HB ILE A 82 0.256 -5.027 -12.510 1.00 64.33 H new ATOM 0 HG12 ILE A 82 0.679 -2.521 -10.842 1.00 43.23 H new ATOM 0 HG13 ILE A 82 1.185 -4.140 -10.400 1.00 43.23 H new ATOM 0 HG21 ILE A 82 0.553 -2.993 -13.890 1.00 21.32 H new ATOM 0 HG22 ILE A 82 -1.111 -3.619 -13.981 1.00 21.32 H new ATOM 0 HG23 ILE A 82 -0.750 -2.194 -12.978 1.00 21.32 H new ATOM 0 HD11 ILE A 82 3.067 -2.841 -11.276 1.00 73.13 H new ATOM 0 HD12 ILE A 82 2.701 -4.212 -12.351 1.00 73.13 H new ATOM 0 HD13 ILE A 82 2.187 -2.569 -12.799 1.00 73.13 H new ATOM 1327 N ALA A 83 -1.744 -6.587 -10.491 1.00 24.34 N ATOM 1328 CA ALA A 83 -1.510 -7.749 -9.623 1.00 3.45 C ATOM 1329 C ALA A 83 -0.194 -8.440 -10.002 1.00 33.15 C ATOM 1330 O ALA A 83 -0.075 -9.000 -11.094 1.00 41.21 O ATOM 1331 CB ALA A 83 -2.676 -8.723 -9.726 1.00 31.53 C ATOM 0 H ALA A 83 -2.399 -6.758 -11.254 1.00 24.34 H new ATOM 0 HA ALA A 83 -1.434 -7.408 -8.591 1.00 3.45 H new ATOM 0 HB1 ALA A 83 -2.492 -9.580 -9.079 1.00 31.53 H new ATOM 0 HB2 ALA A 83 -3.595 -8.225 -9.416 1.00 31.53 H new ATOM 0 HB3 ALA A 83 -2.777 -9.062 -10.757 1.00 31.53 H new ATOM 1337 N ASP A 84 0.789 -8.412 -9.104 1.00 4.32 N ATOM 1338 CA ASP A 84 2.146 -8.860 -9.448 1.00 44.53 C ATOM 1339 C ASP A 84 2.362 -10.354 -9.162 1.00 42.41 C ATOM 1340 O ASP A 84 1.506 -11.033 -8.588 1.00 60.10 O ATOM 1341 CB ASP A 84 3.182 -8.036 -8.677 1.00 24.21 C ATOM 1342 CG ASP A 84 3.203 -8.383 -7.200 1.00 24.53 C ATOM 1343 OD1 ASP A 84 2.374 -7.841 -6.450 1.00 1.25 O ATOM 1344 OD2 ASP A 84 4.046 -9.217 -6.796 1.00 31.41 O ATOM 0 H ASP A 84 0.679 -8.089 -8.143 1.00 4.32 H new ATOM 0 HA ASP A 84 2.269 -8.709 -10.520 1.00 44.53 H new ATOM 0 HB2 ASP A 84 4.171 -8.207 -9.103 1.00 24.21 H new ATOM 0 HB3 ASP A 84 2.963 -6.975 -8.797 1.00 24.21 H new ATOM 1522 N TRP A 98 -3.272 -12.238 -1.997 1.00 52.11 N ATOM 1523 CA TRP A 98 -2.596 -11.809 -3.231 1.00 31.31 C ATOM 1524 C TRP A 98 -2.266 -10.302 -3.225 1.00 41.53 C ATOM 1525 O TRP A 98 -2.963 -9.494 -2.596 1.00 63.02 O ATOM 1526 CB TRP A 98 -3.422 -12.203 -4.470 1.00 24.41 C ATOM 1527 CG TRP A 98 -4.794 -11.582 -4.565 1.00 1.04 C ATOM 1528 CD1 TRP A 98 -5.825 -11.680 -3.668 1.00 63.52 C ATOM 1529 CD2 TRP A 98 -5.293 -10.800 -5.659 1.00 20.14 C ATOM 1530 NE1 TRP A 98 -6.918 -10.987 -4.131 1.00 12.34 N ATOM 1531 CE2 TRP A 98 -6.617 -10.441 -5.350 1.00 20.23 C ATOM 1532 CE3 TRP A 98 -4.740 -10.358 -6.866 1.00 55.14 C ATOM 1533 CZ2 TRP A 98 -7.397 -9.666 -6.204 1.00 50.04 C ATOM 1534 CZ3 TRP A 98 -5.518 -9.593 -7.715 1.00 42.13 C ATOM 1535 CH2 TRP A 98 -6.833 -9.253 -7.378 1.00 4.41 C ATOM 0 HA TRP A 98 -1.641 -12.333 -3.278 1.00 31.31 H new ATOM 0 HB2 TRP A 98 -2.858 -11.931 -5.362 1.00 24.41 H new ATOM 0 HB3 TRP A 98 -3.532 -13.287 -4.481 1.00 24.41 H new ATOM 0 HD1 TRP A 98 -5.785 -12.222 -2.735 1.00 63.52 H new ATOM 0 HE1 TRP A 98 -7.810 -10.894 -3.645 1.00 12.34 H new ATOM 0 HE3 TRP A 98 -3.723 -10.610 -7.130 1.00 55.14 H new ATOM 0 HZ2 TRP A 98 -8.412 -9.401 -5.948 1.00 50.04 H new ATOM 0 HZ3 TRP A 98 -5.105 -9.253 -8.653 1.00 42.13 H new ATOM 0 HH2 TRP A 98 -7.415 -8.651 -8.061 1.00 4.41 H new ATOM 1546 N TYR A 99 -1.190 -9.935 -3.933 1.00 2.54 N ATOM 1547 CA TYR A 99 -0.641 -8.572 -3.880 1.00 42.23 C ATOM 1548 C TYR A 99 -0.921 -7.778 -5.170 1.00 64.31 C ATOM 1549 O TYR A 99 -0.794 -8.292 -6.289 1.00 13.43 O ATOM 1550 CB TYR A 99 0.877 -8.622 -3.635 1.00 13.40 C ATOM 1551 CG TYR A 99 1.301 -9.557 -2.514 1.00 20.04 C ATOM 1552 CD1 TYR A 99 1.410 -10.928 -2.732 1.00 14.32 C ATOM 1553 CD2 TYR A 99 1.602 -9.074 -1.245 1.00 2.34 C ATOM 1554 CE1 TYR A 99 1.805 -11.784 -1.725 1.00 51.01 C ATOM 1555 CE2 TYR A 99 1.997 -9.928 -0.230 1.00 31.23 C ATOM 1556 CZ TYR A 99 2.096 -11.282 -0.476 1.00 65.03 C ATOM 1557 OH TYR A 99 2.502 -12.137 0.524 1.00 51.23 O ATOM 0 H TYR A 99 -0.680 -10.565 -4.552 1.00 2.54 H new ATOM 0 HA TYR A 99 -1.139 -8.060 -3.056 1.00 42.23 H new ATOM 0 HB2 TYR A 99 1.372 -8.931 -4.556 1.00 13.40 H new ATOM 0 HB3 TYR A 99 1.229 -7.616 -3.406 1.00 13.40 H new ATOM 0 HD1 TYR A 99 1.181 -11.329 -3.708 1.00 14.32 H new ATOM 0 HD2 TYR A 99 1.526 -8.015 -1.048 1.00 2.34 H new ATOM 0 HE1 TYR A 99 1.886 -12.844 -1.915 1.00 51.01 H new ATOM 0 HE2 TYR A 99 2.227 -9.536 0.750 1.00 31.23 H new ATOM 0 HH TYR A 99 2.669 -11.626 1.343 1.00 51.23 H new ATOM 1567 N ILE A 100 -1.292 -6.512 -4.996 1.00 53.54 N ATOM 1568 CA ILE A 100 -1.574 -5.603 -6.109 1.00 0.02 C ATOM 1569 C ILE A 100 -0.750 -4.310 -5.978 1.00 22.31 C ATOM 1570 O ILE A 100 -0.997 -3.486 -5.094 1.00 40.45 O ATOM 1571 CB ILE A 100 -3.082 -5.232 -6.161 1.00 71.22 C ATOM 1572 CG1 ILE A 100 -3.957 -6.497 -6.166 1.00 71.54 C ATOM 1573 CG2 ILE A 100 -3.388 -4.363 -7.382 1.00 33.23 C ATOM 1574 CD1 ILE A 100 -5.445 -6.209 -6.151 1.00 33.02 C ATOM 0 H ILE A 100 -1.406 -6.084 -4.077 1.00 53.54 H new ATOM 0 HA ILE A 100 -1.300 -6.122 -7.028 1.00 0.02 H new ATOM 0 HB ILE A 100 -3.317 -4.657 -5.265 1.00 71.22 H new ATOM 0 HG12 ILE A 100 -3.719 -7.089 -7.050 1.00 71.54 H new ATOM 0 HG13 ILE A 100 -3.705 -7.106 -5.298 1.00 71.54 H new ATOM 0 HG21 ILE A 100 -4.450 -4.116 -7.396 1.00 33.23 H new ATOM 0 HG22 ILE A 100 -2.803 -3.445 -7.331 1.00 33.23 H new ATOM 0 HG23 ILE A 100 -3.130 -4.908 -8.290 1.00 33.23 H new ATOM 0 HD11 ILE A 100 -5.998 -7.149 -6.156 1.00 33.02 H new ATOM 0 HD12 ILE A 100 -5.697 -5.644 -5.254 1.00 33.02 H new ATOM 0 HD13 ILE A 100 -5.712 -5.627 -7.033 1.00 33.02 H new ATOM 1586 N LYS A 101 0.239 -4.139 -6.846 1.00 12.11 N ATOM 1587 CA LYS A 101 1.051 -2.918 -6.859 1.00 73.54 C ATOM 1588 C LYS A 101 0.338 -1.805 -7.648 1.00 12.02 C ATOM 1589 O LYS A 101 -0.107 -2.019 -8.774 1.00 32.32 O ATOM 1590 CB LYS A 101 2.437 -3.212 -7.457 1.00 61.50 C ATOM 1591 CG LYS A 101 3.256 -4.207 -6.631 1.00 73.44 C ATOM 1592 CD LYS A 101 4.543 -4.635 -7.339 1.00 21.22 C ATOM 1593 CE LYS A 101 5.499 -3.466 -7.569 1.00 64.11 C ATOM 1594 NZ LYS A 101 6.079 -2.944 -6.301 1.00 2.01 N ATOM 0 H LYS A 101 0.502 -4.827 -7.552 1.00 12.11 H new ATOM 0 HA LYS A 101 1.184 -2.572 -5.834 1.00 73.54 H new ATOM 0 HB2 LYS A 101 2.313 -3.604 -8.467 1.00 61.50 H new ATOM 0 HB3 LYS A 101 2.993 -2.278 -7.543 1.00 61.50 H new ATOM 0 HG2 LYS A 101 3.506 -3.758 -5.670 1.00 73.44 H new ATOM 0 HG3 LYS A 101 2.649 -5.088 -6.423 1.00 73.44 H new ATOM 0 HD2 LYS A 101 5.044 -5.399 -6.745 1.00 21.22 H new ATOM 0 HD3 LYS A 101 4.293 -5.090 -8.297 1.00 21.22 H new ATOM 0 HE2 LYS A 101 6.306 -3.785 -8.229 1.00 64.11 H new ATOM 0 HE3 LYS A 101 4.968 -2.662 -8.080 1.00 64.11 H new ATOM 0 HZ1 LYS A 101 7.033 -2.572 -6.483 1.00 2.01 H new ATOM 0 HZ2 LYS A 101 5.475 -2.183 -5.931 1.00 2.01 H new ATOM 0 HZ3 LYS A 101 6.135 -3.712 -5.602 1.00 2.01 H new ATOM 1608 N ALA A 102 0.218 -0.624 -7.053 1.00 61.52 N ATOM 1609 CA ALA A 102 -0.539 0.473 -7.668 1.00 3.33 C ATOM 1610 C ALA A 102 0.318 1.727 -7.878 1.00 3.40 C ATOM 1611 O ALA A 102 1.429 1.836 -7.360 1.00 52.31 O ATOM 1612 CB ALA A 102 -1.755 0.806 -6.812 1.00 54.03 C ATOM 0 H ALA A 102 0.631 -0.397 -6.149 1.00 61.52 H new ATOM 0 HA ALA A 102 -0.862 0.136 -8.653 1.00 3.33 H new ATOM 0 HB1 ALA A 102 -2.313 1.621 -7.274 1.00 54.03 H new ATOM 0 HB2 ALA A 102 -2.395 -0.072 -6.732 1.00 54.03 H new ATOM 0 HB3 ALA A 102 -1.428 1.108 -5.817 1.00 54.03 H new ATOM 1618 N ASP A 103 -0.212 2.666 -8.659 1.00 12.21 N ATOM 1619 CA ASP A 103 0.462 3.940 -8.912 1.00 64.42 C ATOM 1620 C ASP A 103 0.124 4.976 -7.823 1.00 0.21 C ATOM 1621 O ASP A 103 1.004 5.451 -7.108 1.00 15.41 O ATOM 1622 CB ASP A 103 0.057 4.465 -10.293 1.00 32.04 C ATOM 1623 CG ASP A 103 0.787 5.739 -10.671 1.00 53.14 C ATOM 1624 OD1 ASP A 103 2.033 5.764 -10.573 1.00 54.02 O ATOM 1625 OD2 ASP A 103 0.125 6.712 -11.077 1.00 11.52 O ATOM 0 H ASP A 103 -1.111 2.568 -9.130 1.00 12.21 H new ATOM 0 HA ASP A 103 1.539 3.775 -8.887 1.00 64.42 H new ATOM 0 HB2 ASP A 103 0.259 3.699 -11.042 1.00 32.04 H new ATOM 0 HB3 ASP A 103 -1.017 4.649 -10.307 1.00 32.04 H new ATOM 1630 N ASP A 104 -1.160 5.322 -7.715 1.00 3.13 N ATOM 1631 CA ASP A 104 -1.636 6.256 -6.692 1.00 71.02 C ATOM 1632 C ASP A 104 -3.047 5.875 -6.206 1.00 0.20 C ATOM 1633 O ASP A 104 -3.814 5.222 -6.921 1.00 51.02 O ATOM 1634 CB ASP A 104 -1.622 7.694 -7.233 1.00 11.24 C ATOM 1635 CG ASP A 104 -2.112 8.710 -6.210 1.00 23.30 C ATOM 1636 OD1 ASP A 104 -1.689 8.633 -5.036 1.00 20.20 O ATOM 1637 OD2 ASP A 104 -2.921 9.591 -6.571 1.00 12.23 O ATOM 0 H ASP A 104 -1.894 4.967 -8.328 1.00 3.13 H new ATOM 0 HA ASP A 104 -0.960 6.197 -5.839 1.00 71.02 H new ATOM 0 HB2 ASP A 104 -0.609 7.953 -7.540 1.00 11.24 H new ATOM 0 HB3 ASP A 104 -2.249 7.749 -8.123 1.00 11.24 H new ATOM 1642 N ILE A 105 -3.368 6.288 -4.980 1.00 32.15 N ATOM 1643 CA ILE A 105 -4.660 5.981 -4.350 1.00 41.35 C ATOM 1644 C ILE A 105 -5.524 7.247 -4.182 1.00 60.42 C ATOM 1645 O ILE A 105 -5.167 8.155 -3.429 1.00 60.12 O ATOM 1646 CB ILE A 105 -4.451 5.330 -2.955 1.00 43.41 C ATOM 1647 CG1 ILE A 105 -3.690 3.997 -3.087 1.00 33.31 C ATOM 1648 CG2 ILE A 105 -5.791 5.128 -2.243 1.00 10.35 C ATOM 1649 CD1 ILE A 105 -3.415 3.310 -1.764 1.00 1.21 C ATOM 0 H ILE A 105 -2.745 6.843 -4.394 1.00 32.15 H new ATOM 0 HA ILE A 105 -5.177 5.284 -5.010 1.00 41.35 H new ATOM 0 HB ILE A 105 -3.848 6.006 -2.349 1.00 43.41 H new ATOM 0 HG12 ILE A 105 -4.266 3.323 -3.722 1.00 33.31 H new ATOM 0 HG13 ILE A 105 -2.742 4.180 -3.593 1.00 33.31 H new ATOM 0 HG21 ILE A 105 -5.620 4.671 -1.268 1.00 10.35 H new ATOM 0 HG22 ILE A 105 -6.282 6.092 -2.110 1.00 10.35 H new ATOM 0 HG23 ILE A 105 -6.427 4.477 -2.843 1.00 10.35 H new ATOM 0 HD11 ILE A 105 -2.876 2.379 -1.942 1.00 1.21 H new ATOM 0 HD12 ILE A 105 -2.812 3.963 -1.133 1.00 1.21 H new ATOM 0 HD13 ILE A 105 -4.359 3.093 -1.264 1.00 1.21 H new ATOM 1661 N VAL A 106 -6.659 7.297 -4.877 1.00 63.30 N ATOM 1662 CA VAL A 106 -7.599 8.426 -4.762 1.00 43.31 C ATOM 1663 C VAL A 106 -8.998 7.940 -4.353 1.00 22.13 C ATOM 1664 O VAL A 106 -9.250 6.741 -4.298 1.00 30.54 O ATOM 1665 CB VAL A 106 -7.700 9.217 -6.090 1.00 3.43 C ATOM 1666 CG1 VAL A 106 -6.349 9.820 -6.469 1.00 65.25 C ATOM 1667 CG2 VAL A 106 -8.233 8.327 -7.214 1.00 21.03 C ATOM 0 H VAL A 106 -6.956 6.571 -5.529 1.00 63.30 H new ATOM 0 HA VAL A 106 -7.208 9.087 -3.988 1.00 43.31 H new ATOM 0 HB VAL A 106 -8.405 10.035 -5.943 1.00 3.43 H new ATOM 0 HG11 VAL A 106 -6.446 10.370 -7.405 1.00 65.25 H new ATOM 0 HG12 VAL A 106 -6.019 10.498 -5.682 1.00 65.25 H new ATOM 0 HG13 VAL A 106 -5.616 9.023 -6.591 1.00 65.25 H new ATOM 0 HG21 VAL A 106 -8.295 8.904 -8.137 1.00 21.03 H new ATOM 0 HG22 VAL A 106 -7.560 7.482 -7.359 1.00 21.03 H new ATOM 0 HG23 VAL A 106 -9.224 7.960 -6.948 1.00 21.03 H new ATOM 1677 N LEU A 107 -9.903 8.871 -4.059 1.00 1.10 N ATOM 1678 CA LEU A 107 -11.288 8.516 -3.719 1.00 0.05 C ATOM 1679 C LEU A 107 -12.126 8.303 -4.988 1.00 30.30 C ATOM 1680 O LEU A 107 -11.865 8.920 -6.022 1.00 73.23 O ATOM 1681 CB LEU A 107 -11.928 9.606 -2.845 1.00 33.52 C ATOM 1682 CG LEU A 107 -11.286 9.800 -1.461 1.00 45.43 C ATOM 1683 CD1 LEU A 107 -11.943 10.961 -0.718 1.00 74.32 C ATOM 1684 CD2 LEU A 107 -11.378 8.519 -0.637 1.00 4.43 C ATOM 0 H LEU A 107 -9.709 9.872 -4.048 1.00 1.10 H new ATOM 0 HA LEU A 107 -11.265 7.582 -3.157 1.00 0.05 H new ATOM 0 HB2 LEU A 107 -11.884 10.553 -3.384 1.00 33.52 H new ATOM 0 HB3 LEU A 107 -12.982 9.366 -2.708 1.00 33.52 H new ATOM 0 HG LEU A 107 -10.233 10.038 -1.608 1.00 45.43 H new ATOM 0 HD11 LEU A 107 -11.473 11.080 0.258 1.00 74.32 H new ATOM 0 HD12 LEU A 107 -11.820 11.878 -1.294 1.00 74.32 H new ATOM 0 HD13 LEU A 107 -13.005 10.755 -0.587 1.00 74.32 H new ATOM 0 HD21 LEU A 107 -10.918 8.680 0.338 1.00 4.43 H new ATOM 0 HD22 LEU A 107 -12.425 8.247 -0.503 1.00 4.43 H new ATOM 0 HD23 LEU A 107 -10.857 7.714 -1.156 1.00 4.43 H new ATOM 1696 N THR A 108 -13.129 7.431 -4.899 1.00 51.23 N ATOM 1697 CA THR A 108 -13.996 7.125 -6.048 1.00 5.21 C ATOM 1698 C THR A 108 -14.769 8.370 -6.513 1.00 43.13 C ATOM 1699 O THR A 108 -15.734 8.790 -5.870 1.00 43.21 O ATOM 1700 CB THR A 108 -15.012 6.001 -5.716 1.00 21.32 C ATOM 1701 OG1 THR A 108 -14.351 4.906 -5.062 1.00 45.23 O ATOM 1702 CG2 THR A 108 -15.699 5.489 -6.981 1.00 75.40 C ATOM 0 H THR A 108 -13.365 6.922 -4.047 1.00 51.23 H new ATOM 0 HA THR A 108 -13.338 6.786 -6.849 1.00 5.21 H new ATOM 0 HB THR A 108 -15.766 6.423 -5.051 1.00 21.32 H new ATOM 0 HG1 THR A 108 -15.004 4.205 -4.857 1.00 45.23 H new ATOM 0 HG21 THR A 108 -16.406 4.702 -6.718 1.00 75.40 H new ATOM 0 HG22 THR A 108 -16.232 6.309 -7.463 1.00 75.40 H new ATOM 0 HG23 THR A 108 -14.950 5.091 -7.666 1.00 75.40 H new