USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 447 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 49 ASN : amide:sc= -0.856 K(o=-0.91,f=-0.1) USER MOD Set 1.2: A 52 MET CE :methyl 163:sc= -0.0562 (180deg=-0.412) USER MOD Single : A 22 THR OG1 : rot -123:sc= -0.24 USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 0.46 (180deg=0.134) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.95) USER MOD Single : A 51 MET CE :methyl -168:sc= 0 (180deg=-0.0942) USER MOD Single : A 53 SER OG : rot 70:sc= 0.901 USER MOD Single : A 54 LYS NZ :NH3+ 168:sc= -0.013 (180deg=-0.165) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 61 GLN : amide:sc= -0.193 K(o=-0.19,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 7.788 -8.674 10.255 1.00 51.53 N ATOM 330 CA LEU A 21 8.023 -7.248 9.945 1.00 74.05 C ATOM 331 C LEU A 21 9.154 -7.124 8.898 1.00 43.03 C ATOM 332 O LEU A 21 10.336 -6.981 9.242 1.00 33.44 O ATOM 333 CB LEU A 21 8.358 -6.450 11.239 1.00 31.40 C ATOM 334 CG LEU A 21 7.319 -6.553 12.407 1.00 33.43 C ATOM 335 CD1 LEU A 21 7.766 -5.726 13.639 1.00 23.21 C ATOM 336 CD2 LEU A 21 5.901 -6.135 11.946 1.00 35.24 C ATOM 0 HA LEU A 21 7.113 -6.819 9.525 1.00 74.05 H new ATOM 0 HB2 LEU A 21 9.325 -6.790 11.610 1.00 31.40 H new ATOM 0 HB3 LEU A 21 8.471 -5.399 10.973 1.00 31.40 H new ATOM 0 HG LEU A 21 7.276 -7.600 12.706 1.00 33.43 H new ATOM 0 HD11 LEU A 21 7.022 -5.820 14.430 1.00 23.21 H new ATOM 0 HD12 LEU A 21 8.726 -6.097 13.998 1.00 23.21 H new ATOM 0 HD13 LEU A 21 7.865 -4.678 13.357 1.00 23.21 H new ATOM 0 HD21 LEU A 21 5.207 -6.219 12.782 1.00 35.24 H new ATOM 0 HD22 LEU A 21 5.922 -5.104 11.594 1.00 35.24 H new ATOM 0 HD23 LEU A 21 5.574 -6.788 11.136 1.00 35.24 H new ATOM 348 N THR A 22 8.769 -7.231 7.619 1.00 4.43 N ATOM 349 CA THR A 22 9.701 -7.208 6.458 1.00 43.22 C ATOM 350 C THR A 22 10.288 -5.793 6.195 1.00 40.12 C ATOM 351 O THR A 22 9.956 -4.828 6.894 1.00 31.01 O ATOM 352 CB THR A 22 8.964 -7.757 5.171 1.00 12.22 C ATOM 353 OG1 THR A 22 9.808 -7.680 4.000 1.00 50.30 O ATOM 354 CG2 THR A 22 7.639 -7.014 4.899 1.00 11.40 C ATOM 0 H THR A 22 7.792 -7.338 7.347 1.00 4.43 H new ATOM 0 HA THR A 22 10.545 -7.855 6.698 1.00 43.22 H new ATOM 0 HB THR A 22 8.737 -8.803 5.376 1.00 12.22 H new ATOM 0 HG1 THR A 22 9.357 -7.157 3.305 1.00 50.30 H new ATOM 0 HG21 THR A 22 7.168 -7.425 4.006 1.00 11.40 H new ATOM 0 HG22 THR A 22 6.971 -7.138 5.751 1.00 11.40 H new ATOM 0 HG23 THR A 22 7.841 -5.954 4.748 1.00 11.40 H new ATOM 362 N ARG A 23 11.181 -5.689 5.191 1.00 74.14 N ATOM 363 CA ARG A 23 11.710 -4.396 4.697 1.00 61.42 C ATOM 364 C ARG A 23 10.574 -3.462 4.221 1.00 50.44 C ATOM 365 O ARG A 23 10.637 -2.259 4.424 1.00 65.32 O ATOM 366 CB ARG A 23 12.710 -4.638 3.541 1.00 43.02 C ATOM 367 CG ARG A 23 13.994 -5.381 3.967 1.00 14.15 C ATOM 368 CD ARG A 23 14.925 -5.709 2.788 1.00 55.51 C ATOM 369 NE ARG A 23 15.332 -4.510 2.025 1.00 34.11 N ATOM 370 CZ ARG A 23 16.309 -4.462 1.140 1.00 2.23 C ATOM 371 NH1 ARG A 23 17.050 -5.498 0.898 1.00 51.20 N ATOM 372 NH2 ARG A 23 16.552 -3.362 0.506 1.00 2.15 N ATOM 0 H ARG A 23 11.558 -6.498 4.697 1.00 74.14 H new ATOM 0 HA ARG A 23 12.222 -3.908 5.526 1.00 61.42 H new ATOM 0 HB2 ARG A 23 12.213 -5.212 2.759 1.00 43.02 H new ATOM 0 HB3 ARG A 23 12.986 -3.677 3.106 1.00 43.02 H new ATOM 0 HG2 ARG A 23 14.536 -4.771 4.690 1.00 14.15 H new ATOM 0 HG3 ARG A 23 13.719 -6.307 4.473 1.00 14.15 H new ATOM 0 HD2 ARG A 23 15.815 -6.213 3.164 1.00 55.51 H new ATOM 0 HD3 ARG A 23 14.422 -6.406 2.118 1.00 55.51 H new ATOM 0 HE ARG A 23 14.814 -3.648 2.197 1.00 34.11 H new ATOM 0 HH11 ARG A 23 16.883 -6.372 1.396 1.00 51.20 H new ATOM 0 HH12 ARG A 23 17.800 -5.439 0.209 1.00 51.20 H new ATOM 0 HH21 ARG A 23 15.988 -2.532 0.690 1.00 2.15 H new ATOM 0 HH22 ARG A 23 17.307 -3.324 -0.178 1.00 2.15 H new ATOM 386 N ASP A 24 9.533 -4.053 3.605 1.00 62.54 N ATOM 387 CA ASP A 24 8.316 -3.329 3.152 1.00 34.04 C ATOM 388 C ASP A 24 7.549 -2.689 4.337 1.00 42.23 C ATOM 389 O ASP A 24 6.854 -1.691 4.164 1.00 20.12 O ATOM 390 CB ASP A 24 7.383 -4.287 2.382 1.00 34.31 C ATOM 391 CG ASP A 24 8.100 -5.005 1.239 1.00 64.12 C ATOM 392 OD1 ASP A 24 8.772 -6.030 1.505 1.00 41.13 O ATOM 393 OD2 ASP A 24 8.035 -4.532 0.082 1.00 23.15 O ATOM 0 H ASP A 24 9.506 -5.053 3.403 1.00 62.54 H new ATOM 0 HA ASP A 24 8.641 -2.525 2.492 1.00 34.04 H new ATOM 0 HB2 ASP A 24 6.975 -5.025 3.072 1.00 34.31 H new ATOM 0 HB3 ASP A 24 6.539 -3.725 1.982 1.00 34.31 H new ATOM 398 N GLU A 25 7.668 -3.310 5.529 1.00 12.35 N ATOM 399 CA GLU A 25 7.065 -2.798 6.788 1.00 30.33 C ATOM 400 C GLU A 25 7.823 -1.532 7.264 1.00 2.45 C ATOM 401 O GLU A 25 7.215 -0.525 7.641 1.00 3.51 O ATOM 402 CB GLU A 25 7.072 -3.933 7.872 1.00 41.23 C ATOM 403 CG GLU A 25 5.964 -3.852 8.952 1.00 44.15 C ATOM 404 CD GLU A 25 6.143 -2.701 9.955 1.00 73.01 C ATOM 405 OE1 GLU A 25 7.010 -2.820 10.853 1.00 33.11 O ATOM 406 OE2 GLU A 25 5.431 -1.674 9.845 1.00 21.14 O ATOM 0 H GLU A 25 8.184 -4.181 5.651 1.00 12.35 H new ATOM 0 HA GLU A 25 6.029 -2.509 6.614 1.00 30.33 H new ATOM 0 HB2 GLU A 25 6.986 -4.893 7.364 1.00 41.23 H new ATOM 0 HB3 GLU A 25 8.040 -3.923 8.373 1.00 41.23 H new ATOM 0 HG2 GLU A 25 4.999 -3.741 8.458 1.00 44.15 H new ATOM 0 HG3 GLU A 25 5.936 -4.794 9.499 1.00 44.15 H new ATOM 413 N LEU A 26 9.163 -1.602 7.209 1.00 23.34 N ATOM 414 CA LEU A 26 10.061 -0.450 7.475 1.00 23.52 C ATOM 415 C LEU A 26 9.792 0.720 6.486 1.00 14.44 C ATOM 416 O LEU A 26 9.802 1.896 6.864 1.00 75.00 O ATOM 417 CB LEU A 26 11.533 -0.928 7.360 1.00 72.33 C ATOM 418 CG LEU A 26 11.959 -2.053 8.363 1.00 55.04 C ATOM 419 CD1 LEU A 26 13.316 -2.686 7.978 1.00 53.30 C ATOM 420 CD2 LEU A 26 11.993 -1.512 9.812 1.00 34.10 C ATOM 0 H LEU A 26 9.663 -2.460 6.978 1.00 23.34 H new ATOM 0 HA LEU A 26 9.868 -0.075 8.480 1.00 23.52 H new ATOM 0 HB2 LEU A 26 11.701 -1.288 6.345 1.00 72.33 H new ATOM 0 HB3 LEU A 26 12.188 -0.069 7.506 1.00 72.33 H new ATOM 0 HG LEU A 26 11.208 -2.841 8.307 1.00 55.04 H new ATOM 0 HD11 LEU A 26 13.574 -3.461 8.700 1.00 53.30 H new ATOM 0 HD12 LEU A 26 13.243 -3.126 6.983 1.00 53.30 H new ATOM 0 HD13 LEU A 26 14.089 -1.918 7.979 1.00 53.30 H new ATOM 0 HD21 LEU A 26 12.291 -2.310 10.492 1.00 34.10 H new ATOM 0 HD22 LEU A 26 12.709 -0.693 9.878 1.00 34.10 H new ATOM 0 HD23 LEU A 26 11.002 -1.151 10.089 1.00 34.10 H new ATOM 432 N ARG A 27 9.533 0.353 5.216 1.00 3.22 N ATOM 433 CA ARG A 27 9.192 1.300 4.128 1.00 41.21 C ATOM 434 C ARG A 27 7.763 1.888 4.306 1.00 43.32 C ATOM 435 O ARG A 27 7.508 3.033 3.925 1.00 10.53 O ATOM 436 CB ARG A 27 9.321 0.582 2.758 1.00 21.54 C ATOM 437 CG ARG A 27 10.759 0.127 2.397 1.00 75.54 C ATOM 438 CD ARG A 27 10.804 -0.824 1.181 1.00 13.24 C ATOM 439 NE ARG A 27 10.305 -0.190 -0.050 1.00 52.32 N ATOM 440 CZ ARG A 27 9.953 -0.823 -1.151 1.00 14.40 C ATOM 441 NH1 ARG A 27 10.042 -2.113 -1.251 1.00 14.40 N ATOM 442 NH2 ARG A 27 9.493 -0.145 -2.149 1.00 2.21 N ATOM 0 H ARG A 27 9.554 -0.620 4.910 1.00 3.22 H new ATOM 0 HA ARG A 27 9.891 2.135 4.167 1.00 41.21 H new ATOM 0 HB2 ARG A 27 8.668 -0.291 2.758 1.00 21.54 H new ATOM 0 HB3 ARG A 27 8.960 1.251 1.977 1.00 21.54 H new ATOM 0 HG2 ARG A 27 11.370 1.005 2.187 1.00 75.54 H new ATOM 0 HG3 ARG A 27 11.203 -0.372 3.258 1.00 75.54 H new ATOM 0 HD2 ARG A 27 11.829 -1.159 1.023 1.00 13.24 H new ATOM 0 HD3 ARG A 27 10.209 -1.711 1.396 1.00 13.24 H new ATOM 0 HE ARG A 27 10.225 0.827 -0.051 1.00 52.32 H new ATOM 0 HH11 ARG A 27 10.391 -2.663 -0.466 1.00 14.40 H new ATOM 0 HH12 ARG A 27 9.763 -2.578 -2.115 1.00 14.40 H new ATOM 0 HH21 ARG A 27 9.406 0.869 -2.080 1.00 2.21 H new ATOM 0 HH22 ARG A 27 9.217 -0.623 -3.007 1.00 2.21 H new ATOM 456 N ALA A 28 6.842 1.087 4.891 1.00 23.21 N ATOM 457 CA ALA A 28 5.455 1.526 5.205 1.00 60.24 C ATOM 458 C ALA A 28 5.453 2.614 6.300 1.00 43.31 C ATOM 459 O ALA A 28 4.687 3.578 6.235 1.00 60.45 O ATOM 460 CB ALA A 28 4.588 0.322 5.625 1.00 72.43 C ATOM 0 H ALA A 28 7.035 0.122 5.159 1.00 23.21 H new ATOM 0 HA ALA A 28 5.024 1.960 4.303 1.00 60.24 H new ATOM 0 HB1 ALA A 28 3.577 0.662 5.851 1.00 72.43 H new ATOM 0 HB2 ALA A 28 4.554 -0.403 4.812 1.00 72.43 H new ATOM 0 HB3 ALA A 28 5.019 -0.146 6.510 1.00 72.43 H new ATOM 466 N LYS A 29 6.327 2.436 7.297 1.00 12.41 N ATOM 467 CA LYS A 29 6.582 3.443 8.350 1.00 24.22 C ATOM 468 C LYS A 29 7.275 4.710 7.784 1.00 2.00 C ATOM 469 O LYS A 29 6.972 5.832 8.204 1.00 74.30 O ATOM 470 CB LYS A 29 7.454 2.814 9.462 1.00 34.32 C ATOM 471 CG LYS A 29 6.722 1.762 10.311 1.00 31.03 C ATOM 472 CD LYS A 29 7.672 0.960 11.231 1.00 40.53 C ATOM 473 CE LYS A 29 6.913 0.151 12.289 1.00 3.54 C ATOM 474 NZ LYS A 29 7.765 -0.867 12.957 1.00 61.33 N ATOM 0 H LYS A 29 6.883 1.588 7.402 1.00 12.41 H new ATOM 0 HA LYS A 29 5.621 3.753 8.760 1.00 24.22 H new ATOM 0 HB2 LYS A 29 8.329 2.352 9.005 1.00 34.32 H new ATOM 0 HB3 LYS A 29 7.817 3.606 10.117 1.00 34.32 H new ATOM 0 HG2 LYS A 29 5.967 2.257 10.921 1.00 31.03 H new ATOM 0 HG3 LYS A 29 6.196 1.072 9.651 1.00 31.03 H new ATOM 0 HD2 LYS A 29 8.276 0.285 10.625 1.00 40.53 H new ATOM 0 HD3 LYS A 29 8.360 1.646 11.726 1.00 40.53 H new ATOM 0 HE2 LYS A 29 6.511 0.831 13.040 1.00 3.54 H new ATOM 0 HE3 LYS A 29 6.063 -0.345 11.820 1.00 3.54 H new ATOM 0 HZ1 LYS A 29 7.428 -1.017 13.929 1.00 61.33 H new ATOM 0 HZ2 LYS A 29 7.714 -1.762 12.430 1.00 61.33 H new ATOM 0 HZ3 LYS A 29 8.750 -0.535 12.979 1.00 61.33 H new ATOM 488 N ALA A 30 8.206 4.502 6.832 1.00 3.22 N ATOM 489 CA ALA A 30 8.971 5.598 6.187 1.00 72.33 C ATOM 490 C ALA A 30 8.060 6.538 5.351 1.00 22.43 C ATOM 491 O ALA A 30 8.198 7.765 5.409 1.00 35.50 O ATOM 492 CB ALA A 30 10.088 5.007 5.306 1.00 41.54 C ATOM 0 H ALA A 30 8.451 3.574 6.486 1.00 3.22 H new ATOM 0 HA ALA A 30 9.413 6.204 6.978 1.00 72.33 H new ATOM 0 HB1 ALA A 30 10.646 5.816 4.835 1.00 41.54 H new ATOM 0 HB2 ALA A 30 10.762 4.412 5.923 1.00 41.54 H new ATOM 0 HB3 ALA A 30 9.647 4.374 4.536 1.00 41.54 H new ATOM 498 N LEU A 31 7.131 5.939 4.578 1.00 42.32 N ATOM 499 CA LEU A 31 6.157 6.688 3.737 1.00 30.03 C ATOM 500 C LEU A 31 4.839 7.005 4.493 1.00 74.23 C ATOM 501 O LEU A 31 3.996 7.750 3.976 1.00 0.21 O ATOM 502 CB LEU A 31 5.854 5.888 2.445 1.00 1.41 C ATOM 503 CG LEU A 31 7.082 5.603 1.521 1.00 12.54 C ATOM 504 CD1 LEU A 31 6.664 4.803 0.279 1.00 23.23 C ATOM 505 CD2 LEU A 31 7.809 6.909 1.114 1.00 63.31 C ATOM 0 H LEU A 31 7.030 4.926 4.515 1.00 42.32 H new ATOM 0 HA LEU A 31 6.615 7.644 3.481 1.00 30.03 H new ATOM 0 HB2 LEU A 31 5.405 4.935 2.726 1.00 1.41 H new ATOM 0 HB3 LEU A 31 5.107 6.434 1.868 1.00 1.41 H new ATOM 0 HG LEU A 31 7.786 5.000 2.095 1.00 12.54 H new ATOM 0 HD11 LEU A 31 7.538 4.619 -0.346 1.00 23.23 H new ATOM 0 HD12 LEU A 31 6.232 3.851 0.588 1.00 23.23 H new ATOM 0 HD13 LEU A 31 5.926 5.370 -0.288 1.00 23.23 H new ATOM 0 HD21 LEU A 31 8.657 6.669 0.472 1.00 63.31 H new ATOM 0 HD22 LEU A 31 7.118 7.557 0.575 1.00 63.31 H new ATOM 0 HD23 LEU A 31 8.165 7.421 2.008 1.00 63.31 H new ATOM 517 N HIS A 32 4.681 6.423 5.708 1.00 20.42 N ATOM 518 CA HIS A 32 3.510 6.644 6.597 1.00 61.40 C ATOM 519 C HIS A 32 2.175 6.236 5.905 1.00 34.34 C ATOM 520 O HIS A 32 1.269 7.058 5.709 1.00 33.00 O ATOM 521 CB HIS A 32 3.486 8.109 7.138 1.00 73.35 C ATOM 522 CG HIS A 32 4.719 8.487 7.928 1.00 4.51 C ATOM 523 ND1 HIS A 32 4.811 8.370 9.300 1.00 3.41 N ATOM 524 CD2 HIS A 32 5.920 8.975 7.524 1.00 54.42 C ATOM 525 CE1 HIS A 32 6.002 8.767 9.701 1.00 73.33 C ATOM 526 NE2 HIS A 32 6.692 9.137 8.646 1.00 74.31 N ATOM 0 H HIS A 32 5.368 5.781 6.103 1.00 20.42 H new ATOM 0 HA HIS A 32 3.615 5.989 7.462 1.00 61.40 H new ATOM 0 HB2 HIS A 32 3.379 8.795 6.298 1.00 73.35 H new ATOM 0 HB3 HIS A 32 2.607 8.239 7.769 1.00 73.35 H new ATOM 0 HD2 HIS A 32 6.213 9.195 6.508 1.00 54.42 H new ATOM 0 HE1 HIS A 32 6.351 8.785 10.723 1.00 73.33 H new ATOM 0 HE2 HIS A 32 7.649 9.489 8.659 1.00 74.31 H new ATOM 535 N ILE A 33 2.098 4.951 5.508 1.00 51.31 N ATOM 536 CA ILE A 33 0.921 4.369 4.815 1.00 5.10 C ATOM 537 C ILE A 33 -0.259 4.156 5.817 1.00 64.44 C ATOM 538 O ILE A 33 -0.046 3.597 6.899 1.00 62.13 O ATOM 539 CB ILE A 33 1.316 2.999 4.123 1.00 43.23 C ATOM 540 CG1 ILE A 33 2.550 3.193 3.178 1.00 50.11 C ATOM 541 CG2 ILE A 33 0.125 2.367 3.355 1.00 40.15 C ATOM 542 CD1 ILE A 33 2.322 4.135 2.001 1.00 34.01 C ATOM 0 H ILE A 33 2.852 4.280 5.658 1.00 51.31 H new ATOM 0 HA ILE A 33 0.592 5.067 4.045 1.00 5.10 H new ATOM 0 HB ILE A 33 1.590 2.303 4.916 1.00 43.23 H new ATOM 0 HG12 ILE A 33 3.385 3.570 3.769 1.00 50.11 H new ATOM 0 HG13 ILE A 33 2.848 2.219 2.791 1.00 50.11 H new ATOM 0 HG21 ILE A 33 0.443 1.430 2.897 1.00 40.15 H new ATOM 0 HG22 ILE A 33 -0.693 2.173 4.049 1.00 40.15 H new ATOM 0 HG23 ILE A 33 -0.213 3.054 2.579 1.00 40.15 H new ATOM 0 HD11 ILE A 33 3.234 4.203 1.407 1.00 34.01 H new ATOM 0 HD12 ILE A 33 1.512 3.752 1.380 1.00 34.01 H new ATOM 0 HD13 ILE A 33 2.057 5.125 2.373 1.00 34.01 H new ATOM 554 N PRO A 34 -1.522 4.602 5.477 1.00 21.32 N ATOM 555 CA PRO A 34 -2.692 4.510 6.407 1.00 40.41 C ATOM 556 C PRO A 34 -3.249 3.069 6.594 1.00 64.12 C ATOM 557 O PRO A 34 -4.147 2.857 7.415 1.00 72.24 O ATOM 558 CB PRO A 34 -3.732 5.443 5.732 1.00 31.40 C ATOM 559 CG PRO A 34 -3.420 5.346 4.272 1.00 41.14 C ATOM 560 CD PRO A 34 -1.912 5.240 4.185 1.00 72.12 C ATOM 0 HA PRO A 34 -2.424 4.796 7.424 1.00 40.41 H new ATOM 0 HB2 PRO A 34 -4.752 5.121 5.943 1.00 31.40 H new ATOM 0 HB3 PRO A 34 -3.640 6.468 6.092 1.00 31.40 H new ATOM 0 HG2 PRO A 34 -3.901 4.476 3.825 1.00 41.14 H new ATOM 0 HG3 PRO A 34 -3.783 6.222 3.734 1.00 41.14 H new ATOM 0 HD2 PRO A 34 -1.602 4.636 3.332 1.00 72.12 H new ATOM 0 HD3 PRO A 34 -1.449 6.220 4.067 1.00 72.12 H new ATOM 568 N PHE A 35 -2.725 2.093 5.821 1.00 52.44 N ATOM 569 CA PHE A 35 -3.100 0.656 5.935 1.00 3.54 C ATOM 570 C PHE A 35 -1.816 -0.197 6.145 1.00 73.35 C ATOM 571 O PHE A 35 -0.742 0.195 5.670 1.00 30.32 O ATOM 572 CB PHE A 35 -3.842 0.171 4.653 1.00 71.43 C ATOM 573 CG PHE A 35 -4.933 1.114 4.147 1.00 2.22 C ATOM 574 CD1 PHE A 35 -6.131 1.268 4.846 1.00 23.32 C ATOM 575 CD2 PHE A 35 -4.747 1.852 2.978 1.00 11.32 C ATOM 576 CE1 PHE A 35 -7.107 2.136 4.391 1.00 15.03 C ATOM 577 CE2 PHE A 35 -5.721 2.717 2.526 1.00 42.43 C ATOM 578 CZ PHE A 35 -6.900 2.860 3.228 1.00 3.43 C ATOM 0 H PHE A 35 -2.029 2.274 5.098 1.00 52.44 H new ATOM 0 HA PHE A 35 -3.770 0.539 6.787 1.00 3.54 H new ATOM 0 HB2 PHE A 35 -3.109 0.027 3.859 1.00 71.43 H new ATOM 0 HB3 PHE A 35 -4.288 -0.803 4.855 1.00 71.43 H new ATOM 0 HD1 PHE A 35 -6.298 0.704 5.752 1.00 23.32 H new ATOM 0 HD2 PHE A 35 -3.829 1.745 2.420 1.00 11.32 H new ATOM 0 HE1 PHE A 35 -8.029 2.249 4.942 1.00 15.03 H new ATOM 0 HE2 PHE A 35 -5.561 3.284 1.621 1.00 42.43 H new ATOM 0 HZ PHE A 35 -7.662 3.537 2.871 1.00 3.43 H new ATOM 588 N PRO A 36 -1.889 -1.374 6.853 1.00 21.45 N ATOM 589 CA PRO A 36 -0.720 -2.287 6.989 1.00 31.44 C ATOM 590 C PRO A 36 -0.324 -2.978 5.648 1.00 23.23 C ATOM 591 O PRO A 36 -1.152 -3.110 4.734 1.00 1.25 O ATOM 592 CB PRO A 36 -1.195 -3.318 8.049 1.00 11.24 C ATOM 593 CG PRO A 36 -2.688 -3.317 7.930 1.00 45.02 C ATOM 594 CD PRO A 36 -3.071 -1.888 7.600 1.00 2.13 C ATOM 0 HA PRO A 36 0.185 -1.753 7.279 1.00 31.44 H new ATOM 0 HB2 PRO A 36 -0.782 -4.308 7.853 1.00 11.24 H new ATOM 0 HB3 PRO A 36 -0.876 -3.032 9.051 1.00 11.24 H new ATOM 0 HG2 PRO A 36 -3.019 -4.002 7.149 1.00 45.02 H new ATOM 0 HG3 PRO A 36 -3.155 -3.643 8.859 1.00 45.02 H new ATOM 0 HD2 PRO A 36 -3.977 -1.845 6.996 1.00 2.13 H new ATOM 0 HD3 PRO A 36 -3.261 -1.305 8.501 1.00 2.13 H new ATOM 602 N VAL A 37 0.955 -3.421 5.582 1.00 3.41 N ATOM 603 CA VAL A 37 1.571 -4.140 4.421 1.00 54.54 C ATOM 604 C VAL A 37 0.658 -5.268 3.876 1.00 63.52 C ATOM 605 O VAL A 37 0.421 -5.381 2.670 1.00 21.25 O ATOM 606 CB VAL A 37 2.967 -4.746 4.866 1.00 72.53 C ATOM 607 CG1 VAL A 37 3.659 -5.593 3.765 1.00 62.51 C ATOM 608 CG2 VAL A 37 3.905 -3.623 5.366 1.00 33.10 C ATOM 0 H VAL A 37 1.611 -3.289 6.352 1.00 3.41 H new ATOM 0 HA VAL A 37 1.708 -3.419 3.615 1.00 54.54 H new ATOM 0 HB VAL A 37 2.756 -5.436 5.683 1.00 72.53 H new ATOM 0 HG11 VAL A 37 4.608 -5.974 4.142 1.00 62.51 H new ATOM 0 HG12 VAL A 37 3.015 -6.429 3.491 1.00 62.51 H new ATOM 0 HG13 VAL A 37 3.840 -4.972 2.888 1.00 62.51 H new ATOM 0 HG21 VAL A 37 4.860 -4.054 5.668 1.00 33.10 H new ATOM 0 HG22 VAL A 37 4.069 -2.903 4.565 1.00 33.10 H new ATOM 0 HG23 VAL A 37 3.448 -3.120 6.218 1.00 33.10 H new ATOM 618 N GLU A 38 0.141 -6.068 4.812 1.00 65.55 N ATOM 619 CA GLU A 38 -0.784 -7.187 4.548 1.00 41.43 C ATOM 620 C GLU A 38 -2.082 -6.733 3.810 1.00 54.14 C ATOM 621 O GLU A 38 -2.493 -7.346 2.816 1.00 72.33 O ATOM 622 CB GLU A 38 -1.134 -7.826 5.914 1.00 52.03 C ATOM 623 CG GLU A 38 -2.120 -9.024 5.873 1.00 22.34 C ATOM 624 CD GLU A 38 -3.252 -8.903 6.909 1.00 35.44 C ATOM 625 OE1 GLU A 38 -3.014 -9.206 8.095 1.00 73.31 O ATOM 626 OE2 GLU A 38 -4.369 -8.466 6.543 1.00 4.42 O ATOM 0 H GLU A 38 0.356 -5.957 5.803 1.00 65.55 H new ATOM 0 HA GLU A 38 -0.299 -7.904 3.885 1.00 41.43 H new ATOM 0 HB2 GLU A 38 -0.209 -8.159 6.385 1.00 52.03 H new ATOM 0 HB3 GLU A 38 -1.558 -7.054 6.556 1.00 52.03 H new ATOM 0 HG2 GLU A 38 -2.553 -9.098 4.876 1.00 22.34 H new ATOM 0 HG3 GLU A 38 -1.569 -9.948 6.050 1.00 22.34 H new ATOM 633 N LYS A 39 -2.697 -5.636 4.297 1.00 14.23 N ATOM 634 CA LYS A 39 -3.996 -5.124 3.775 1.00 13.00 C ATOM 635 C LYS A 39 -3.878 -4.522 2.345 1.00 44.43 C ATOM 636 O LYS A 39 -4.832 -4.596 1.569 1.00 44.54 O ATOM 637 CB LYS A 39 -4.600 -4.105 4.778 1.00 65.32 C ATOM 638 CG LYS A 39 -5.953 -3.476 4.352 1.00 62.42 C ATOM 639 CD LYS A 39 -6.735 -2.848 5.534 1.00 23.43 C ATOM 640 CE LYS A 39 -7.247 -3.909 6.528 1.00 3.40 C ATOM 641 NZ LYS A 39 -8.068 -3.324 7.620 1.00 65.42 N ATOM 0 H LYS A 39 -2.315 -5.077 5.060 1.00 14.23 H new ATOM 0 HA LYS A 39 -4.673 -5.973 3.681 1.00 13.00 H new ATOM 0 HB2 LYS A 39 -4.736 -4.603 5.738 1.00 65.32 H new ATOM 0 HB3 LYS A 39 -3.879 -3.303 4.934 1.00 65.32 H new ATOM 0 HG2 LYS A 39 -5.769 -2.710 3.599 1.00 62.42 H new ATOM 0 HG3 LYS A 39 -6.570 -4.242 3.883 1.00 62.42 H new ATOM 0 HD2 LYS A 39 -6.091 -2.143 6.059 1.00 23.43 H new ATOM 0 HD3 LYS A 39 -7.580 -2.279 5.146 1.00 23.43 H new ATOM 0 HE2 LYS A 39 -7.840 -4.649 5.990 1.00 3.40 H new ATOM 0 HE3 LYS A 39 -6.396 -4.436 6.961 1.00 3.40 H new ATOM 0 HZ1 LYS A 39 -8.386 -4.081 8.259 1.00 65.42 H new ATOM 0 HZ2 LYS A 39 -7.497 -2.637 8.154 1.00 65.42 H new ATOM 0 HZ3 LYS A 39 -8.896 -2.844 7.213 1.00 65.42 H new ATOM 655 N ILE A 40 -2.702 -3.950 2.003 1.00 21.14 N ATOM 656 CA ILE A 40 -2.391 -3.495 0.612 1.00 41.52 C ATOM 657 C ILE A 40 -2.560 -4.663 -0.401 1.00 33.40 C ATOM 658 O ILE A 40 -3.059 -4.471 -1.518 1.00 53.14 O ATOM 659 CB ILE A 40 -0.922 -2.861 0.516 1.00 11.44 C ATOM 660 CG1 ILE A 40 -0.929 -1.333 0.864 1.00 35.13 C ATOM 661 CG2 ILE A 40 -0.256 -3.069 -0.870 1.00 51.32 C ATOM 662 CD1 ILE A 40 -1.424 -0.978 2.247 1.00 12.13 C ATOM 0 H ILE A 40 -1.945 -3.788 2.667 1.00 21.14 H new ATOM 0 HA ILE A 40 -3.103 -2.712 0.353 1.00 41.52 H new ATOM 0 HB ILE A 40 -0.328 -3.399 1.255 1.00 11.44 H new ATOM 0 HG12 ILE A 40 0.085 -0.949 0.751 1.00 35.13 H new ATOM 0 HG13 ILE A 40 -1.549 -0.815 0.132 1.00 35.13 H new ATOM 0 HG21 ILE A 40 0.736 -2.617 -0.869 1.00 51.32 H new ATOM 0 HG22 ILE A 40 -0.168 -4.136 -1.075 1.00 51.32 H new ATOM 0 HG23 ILE A 40 -0.867 -2.601 -1.641 1.00 51.32 H new ATOM 0 HD11 ILE A 40 -1.386 0.103 2.381 1.00 12.13 H new ATOM 0 HD12 ILE A 40 -2.451 -1.323 2.365 1.00 12.13 H new ATOM 0 HD13 ILE A 40 -0.792 -1.458 2.994 1.00 12.13 H new ATOM 674 N ILE A 41 -2.155 -5.866 0.027 1.00 41.25 N ATOM 675 CA ILE A 41 -2.208 -7.087 -0.803 1.00 51.41 C ATOM 676 C ILE A 41 -3.652 -7.649 -0.880 1.00 41.14 C ATOM 677 O ILE A 41 -4.103 -8.124 -1.931 1.00 3.05 O ATOM 678 CB ILE A 41 -1.261 -8.195 -0.210 1.00 33.43 C ATOM 679 CG1 ILE A 41 0.147 -7.599 0.120 1.00 73.43 C ATOM 680 CG2 ILE A 41 -1.140 -9.399 -1.178 1.00 14.40 C ATOM 681 CD1 ILE A 41 1.041 -8.486 0.971 1.00 11.12 C ATOM 0 H ILE A 41 -1.779 -6.025 0.962 1.00 41.25 H new ATOM 0 HA ILE A 41 -1.877 -6.816 -1.806 1.00 51.41 H new ATOM 0 HB ILE A 41 -1.703 -8.557 0.718 1.00 33.43 H new ATOM 0 HG12 ILE A 41 0.661 -7.384 -0.817 1.00 73.43 H new ATOM 0 HG13 ILE A 41 0.010 -6.648 0.635 1.00 73.43 H new ATOM 0 HG21 ILE A 41 -0.480 -10.150 -0.744 1.00 14.40 H new ATOM 0 HG22 ILE A 41 -2.126 -9.834 -1.343 1.00 14.40 H new ATOM 0 HG23 ILE A 41 -0.729 -9.061 -2.129 1.00 14.40 H new ATOM 0 HD11 ILE A 41 1.993 -7.984 1.144 1.00 11.12 H new ATOM 0 HD12 ILE A 41 0.555 -8.682 1.927 1.00 11.12 H new ATOM 0 HD13 ILE A 41 1.217 -9.429 0.453 1.00 11.12 H new ATOM 693 N ASN A 42 -4.355 -7.615 0.267 1.00 31.33 N ATOM 694 CA ASN A 42 -5.691 -8.243 0.426 1.00 32.41 C ATOM 695 C ASN A 42 -6.836 -7.418 -0.202 1.00 33.13 C ATOM 696 O ASN A 42 -7.906 -7.969 -0.497 1.00 15.21 O ATOM 697 CB ASN A 42 -5.956 -8.519 1.925 1.00 42.55 C ATOM 698 CG ASN A 42 -4.951 -9.514 2.518 1.00 3.11 C ATOM 699 OD1 ASN A 42 -4.488 -10.432 1.848 1.00 12.22 O ATOM 700 ND2 ASN A 42 -4.595 -9.331 3.762 1.00 32.32 N ATOM 0 H ASN A 42 -4.018 -7.153 1.112 1.00 31.33 H new ATOM 0 HA ASN A 42 -5.676 -9.184 -0.124 1.00 32.41 H new ATOM 0 HB2 ASN A 42 -5.907 -7.582 2.479 1.00 42.55 H new ATOM 0 HB3 ASN A 42 -6.966 -8.909 2.048 1.00 42.55 H new ATOM 0 HD21 ASN A 42 -3.918 -9.958 4.196 1.00 32.32 H new ATOM 0 HD22 ASN A 42 -4.994 -8.561 4.299 1.00 32.32 H new ATOM 707 N LEU A 43 -6.619 -6.107 -0.385 1.00 55.15 N ATOM 708 CA LEU A 43 -7.558 -5.232 -1.120 1.00 74.43 C ATOM 709 C LEU A 43 -7.227 -5.245 -2.639 1.00 63.21 C ATOM 710 O LEU A 43 -6.171 -4.744 -3.031 1.00 53.52 O ATOM 711 CB LEU A 43 -7.494 -3.775 -0.575 1.00 53.23 C ATOM 712 CG LEU A 43 -7.922 -3.570 0.912 1.00 14.33 C ATOM 713 CD1 LEU A 43 -7.709 -2.098 1.357 1.00 54.13 C ATOM 714 CD2 LEU A 43 -9.387 -4.022 1.141 1.00 1.21 C ATOM 0 H LEU A 43 -5.794 -5.621 -0.032 1.00 55.15 H new ATOM 0 HA LEU A 43 -8.568 -5.614 -0.972 1.00 74.43 H new ATOM 0 HB2 LEU A 43 -6.473 -3.412 -0.689 1.00 53.23 H new ATOM 0 HB3 LEU A 43 -8.127 -3.148 -1.202 1.00 53.23 H new ATOM 0 HG LEU A 43 -7.283 -4.199 1.532 1.00 14.33 H new ATOM 0 HD11 LEU A 43 -8.015 -1.984 2.397 1.00 54.13 H new ATOM 0 HD12 LEU A 43 -6.655 -1.837 1.259 1.00 54.13 H new ATOM 0 HD13 LEU A 43 -8.307 -1.438 0.728 1.00 54.13 H new ATOM 0 HD21 LEU A 43 -9.656 -3.867 2.186 1.00 1.21 H new ATOM 0 HD22 LEU A 43 -10.052 -3.438 0.504 1.00 1.21 H new ATOM 0 HD23 LEU A 43 -9.484 -5.079 0.894 1.00 1.21 H new ATOM 726 N PRO A 44 -8.111 -5.832 -3.519 1.00 13.11 N ATOM 727 CA PRO A 44 -7.947 -5.755 -5.004 1.00 43.21 C ATOM 728 C PRO A 44 -8.027 -4.295 -5.521 1.00 3.22 C ATOM 729 O PRO A 44 -8.540 -3.434 -4.817 1.00 50.42 O ATOM 730 CB PRO A 44 -9.132 -6.608 -5.542 1.00 12.25 C ATOM 731 CG PRO A 44 -9.530 -7.476 -4.383 1.00 40.41 C ATOM 732 CD PRO A 44 -9.311 -6.623 -3.157 1.00 42.01 C ATOM 0 HA PRO A 44 -6.973 -6.116 -5.335 1.00 43.21 H new ATOM 0 HB2 PRO A 44 -9.959 -5.977 -5.867 1.00 12.25 H new ATOM 0 HB3 PRO A 44 -8.831 -7.207 -6.401 1.00 12.25 H new ATOM 0 HG2 PRO A 44 -10.571 -7.789 -4.464 1.00 40.41 H new ATOM 0 HG3 PRO A 44 -8.927 -8.383 -4.345 1.00 40.41 H new ATOM 0 HD2 PRO A 44 -10.169 -5.984 -2.950 1.00 42.01 H new ATOM 0 HD3 PRO A 44 -9.143 -7.229 -2.267 1.00 42.01 H new ATOM 740 N VAL A 45 -7.544 -4.035 -6.757 1.00 1.21 N ATOM 741 CA VAL A 45 -7.508 -2.661 -7.348 1.00 24.24 C ATOM 742 C VAL A 45 -8.913 -1.995 -7.373 1.00 20.35 C ATOM 743 O VAL A 45 -9.052 -0.824 -7.011 1.00 43.24 O ATOM 744 CB VAL A 45 -6.890 -2.666 -8.801 1.00 73.41 C ATOM 745 CG1 VAL A 45 -6.863 -1.250 -9.429 1.00 13.13 C ATOM 746 CG2 VAL A 45 -5.476 -3.288 -8.791 1.00 22.45 C ATOM 0 H VAL A 45 -7.170 -4.757 -7.374 1.00 1.21 H new ATOM 0 HA VAL A 45 -6.864 -2.069 -6.698 1.00 24.24 H new ATOM 0 HB VAL A 45 -7.538 -3.282 -9.425 1.00 73.41 H new ATOM 0 HG11 VAL A 45 -6.430 -1.303 -10.428 1.00 13.13 H new ATOM 0 HG12 VAL A 45 -7.879 -0.862 -9.495 1.00 13.13 H new ATOM 0 HG13 VAL A 45 -6.261 -0.588 -8.807 1.00 13.13 H new ATOM 0 HG21 VAL A 45 -5.069 -3.282 -9.802 1.00 22.45 H new ATOM 0 HG22 VAL A 45 -4.828 -2.707 -8.135 1.00 22.45 H new ATOM 0 HG23 VAL A 45 -5.533 -4.315 -8.429 1.00 22.45 H new ATOM 756 N VAL A 46 -9.941 -2.778 -7.759 1.00 24.22 N ATOM 757 CA VAL A 46 -11.358 -2.321 -7.788 1.00 43.05 C ATOM 758 C VAL A 46 -11.823 -1.774 -6.409 1.00 20.11 C ATOM 759 O VAL A 46 -12.331 -0.652 -6.306 1.00 24.11 O ATOM 760 CB VAL A 46 -12.312 -3.494 -8.248 1.00 42.11 C ATOM 761 CG1 VAL A 46 -13.809 -3.092 -8.179 1.00 13.25 C ATOM 762 CG2 VAL A 46 -11.944 -3.981 -9.669 1.00 64.52 C ATOM 0 H VAL A 46 -9.819 -3.745 -8.060 1.00 24.22 H new ATOM 0 HA VAL A 46 -11.415 -1.505 -8.508 1.00 43.05 H new ATOM 0 HB VAL A 46 -12.164 -4.317 -7.549 1.00 42.11 H new ATOM 0 HG11 VAL A 46 -14.426 -3.930 -8.504 1.00 13.25 H new ATOM 0 HG12 VAL A 46 -14.068 -2.827 -7.154 1.00 13.25 H new ATOM 0 HG13 VAL A 46 -13.986 -2.236 -8.830 1.00 13.25 H new ATOM 0 HG21 VAL A 46 -12.615 -4.788 -9.962 1.00 64.52 H new ATOM 0 HG22 VAL A 46 -12.041 -3.155 -10.373 1.00 64.52 H new ATOM 0 HG23 VAL A 46 -10.916 -4.344 -9.675 1.00 64.52 H new ATOM 772 N ASP A 47 -11.611 -2.583 -5.358 1.00 3.34 N ATOM 773 CA ASP A 47 -11.996 -2.252 -3.964 1.00 33.41 C ATOM 774 C ASP A 47 -11.112 -1.121 -3.375 1.00 71.11 C ATOM 775 O ASP A 47 -11.598 -0.247 -2.656 1.00 40.12 O ATOM 776 CB ASP A 47 -11.900 -3.529 -3.094 1.00 73.03 C ATOM 777 CG ASP A 47 -12.784 -4.669 -3.628 1.00 11.25 C ATOM 778 OD1 ASP A 47 -12.378 -5.338 -4.605 1.00 4.33 O ATOM 779 OD2 ASP A 47 -13.889 -4.896 -3.083 1.00 23.44 O ATOM 0 H ASP A 47 -11.164 -3.495 -5.446 1.00 3.34 H new ATOM 0 HA ASP A 47 -13.022 -1.885 -3.966 1.00 33.41 H new ATOM 0 HB2 ASP A 47 -10.863 -3.863 -3.057 1.00 73.03 H new ATOM 0 HB3 ASP A 47 -12.195 -3.292 -2.072 1.00 73.03 H new ATOM 784 N PHE A 48 -9.820 -1.145 -3.737 1.00 50.54 N ATOM 785 CA PHE A 48 -8.800 -0.177 -3.270 1.00 25.24 C ATOM 786 C PHE A 48 -9.078 1.243 -3.831 1.00 24.02 C ATOM 787 O PHE A 48 -8.744 2.249 -3.193 1.00 75.30 O ATOM 788 CB PHE A 48 -7.374 -0.670 -3.658 1.00 62.43 C ATOM 789 CG PHE A 48 -6.230 0.035 -2.912 1.00 1.11 C ATOM 790 CD1 PHE A 48 -5.840 -0.392 -1.638 1.00 42.10 C ATOM 791 CD2 PHE A 48 -5.567 1.132 -3.465 1.00 2.23 C ATOM 792 CE1 PHE A 48 -4.826 0.250 -0.949 1.00 14.04 C ATOM 793 CE2 PHE A 48 -4.556 1.776 -2.771 1.00 15.42 C ATOM 794 CZ PHE A 48 -4.187 1.335 -1.515 1.00 24.33 C ATOM 0 H PHE A 48 -9.442 -1.847 -4.373 1.00 50.54 H new ATOM 0 HA PHE A 48 -8.856 -0.113 -2.183 1.00 25.24 H new ATOM 0 HB2 PHE A 48 -7.309 -1.741 -3.467 1.00 62.43 H new ATOM 0 HB3 PHE A 48 -7.234 -0.528 -4.730 1.00 62.43 H new ATOM 0 HD1 PHE A 48 -6.338 -1.236 -1.185 1.00 42.10 H new ATOM 0 HD2 PHE A 48 -5.846 1.483 -4.447 1.00 2.23 H new ATOM 0 HE1 PHE A 48 -4.535 -0.098 0.031 1.00 14.04 H new ATOM 0 HE2 PHE A 48 -4.055 2.625 -3.213 1.00 15.42 H new ATOM 0 HZ PHE A 48 -3.399 1.839 -0.976 1.00 24.33 H new ATOM 804 N ASN A 49 -9.667 1.309 -5.049 1.00 72.00 N ATOM 805 CA ASN A 49 -10.091 2.583 -5.680 1.00 23.22 C ATOM 806 C ASN A 49 -11.078 3.397 -4.792 1.00 53.35 C ATOM 807 O ASN A 49 -11.095 4.625 -4.864 1.00 13.11 O ATOM 808 CB ASN A 49 -10.693 2.340 -7.101 1.00 52.12 C ATOM 809 CG ASN A 49 -9.651 2.217 -8.226 1.00 43.11 C ATOM 810 OD1 ASN A 49 -9.913 2.596 -9.365 1.00 41.50 O ATOM 811 ND2 ASN A 49 -8.479 1.683 -7.939 1.00 4.01 N ATOM 0 H ASN A 49 -9.861 0.486 -5.619 1.00 72.00 H new ATOM 0 HA ASN A 49 -9.190 3.187 -5.786 1.00 23.22 H new ATOM 0 HB2 ASN A 49 -11.291 1.429 -7.077 1.00 52.12 H new ATOM 0 HB3 ASN A 49 -11.370 3.160 -7.339 1.00 52.12 H new ATOM 0 HD21 ASN A 49 -7.773 1.579 -8.668 1.00 4.01 H new ATOM 0 HD22 ASN A 49 -8.279 1.374 -6.988 1.00 4.01 H new ATOM 818 N GLU A 50 -11.881 2.705 -3.956 1.00 12.53 N ATOM 819 CA GLU A 50 -12.785 3.372 -2.982 1.00 5.24 C ATOM 820 C GLU A 50 -11.970 4.149 -1.907 1.00 64.13 C ATOM 821 O GLU A 50 -12.336 5.263 -1.513 1.00 61.41 O ATOM 822 CB GLU A 50 -13.708 2.330 -2.304 1.00 51.11 C ATOM 823 CG GLU A 50 -14.754 2.926 -1.333 1.00 33.33 C ATOM 824 CD GLU A 50 -15.598 1.851 -0.625 1.00 71.21 C ATOM 825 OE1 GLU A 50 -15.189 1.377 0.462 1.00 53.24 O ATOM 826 OE2 GLU A 50 -16.667 1.463 -1.155 1.00 44.04 O ATOM 0 H GLU A 50 -11.925 1.686 -3.932 1.00 12.53 H new ATOM 0 HA GLU A 50 -13.401 4.088 -3.526 1.00 5.24 H new ATOM 0 HB2 GLU A 50 -14.230 1.769 -3.079 1.00 51.11 H new ATOM 0 HB3 GLU A 50 -13.089 1.618 -1.757 1.00 51.11 H new ATOM 0 HG2 GLU A 50 -14.243 3.531 -0.584 1.00 33.33 H new ATOM 0 HG3 GLU A 50 -15.415 3.594 -1.885 1.00 33.33 H new ATOM 833 N MET A 51 -10.847 3.545 -1.468 1.00 43.23 N ATOM 834 CA MET A 51 -9.922 4.148 -0.484 1.00 23.43 C ATOM 835 C MET A 51 -9.213 5.404 -1.050 1.00 12.51 C ATOM 836 O MET A 51 -9.081 6.407 -0.347 1.00 52.03 O ATOM 837 CB MET A 51 -8.875 3.101 -0.017 1.00 43.44 C ATOM 838 CG MET A 51 -9.463 1.925 0.782 1.00 62.14 C ATOM 839 SD MET A 51 -10.636 0.934 -0.168 1.00 11.54 S ATOM 840 CE MET A 51 -11.192 -0.255 1.056 1.00 4.12 C ATOM 0 H MET A 51 -10.554 2.621 -1.787 1.00 43.23 H new ATOM 0 HA MET A 51 -10.516 4.466 0.372 1.00 23.43 H new ATOM 0 HB2 MET A 51 -8.358 2.707 -0.892 1.00 43.44 H new ATOM 0 HB3 MET A 51 -8.126 3.603 0.596 1.00 43.44 H new ATOM 0 HG2 MET A 51 -8.650 1.285 1.124 1.00 62.14 H new ATOM 0 HG3 MET A 51 -9.961 2.311 1.671 1.00 62.14 H new ATOM 0 HE1 MET A 51 -11.748 -1.052 0.563 1.00 4.12 H new ATOM 0 HE2 MET A 51 -10.329 -0.679 1.569 1.00 4.12 H new ATOM 0 HE3 MET A 51 -11.837 0.243 1.780 1.00 4.12 H new ATOM 850 N MET A 52 -8.769 5.342 -2.330 1.00 32.54 N ATOM 851 CA MET A 52 -8.119 6.505 -3.001 1.00 74.02 C ATOM 852 C MET A 52 -9.148 7.594 -3.410 1.00 45.31 C ATOM 853 O MET A 52 -8.767 8.735 -3.686 1.00 21.50 O ATOM 854 CB MET A 52 -7.250 6.072 -4.219 1.00 41.42 C ATOM 855 CG MET A 52 -8.028 5.608 -5.454 1.00 14.45 C ATOM 856 SD MET A 52 -6.969 5.109 -6.830 1.00 2.24 S ATOM 857 CE MET A 52 -6.084 3.712 -6.133 1.00 4.22 C ATOM 0 H MET A 52 -8.846 4.511 -2.916 1.00 32.54 H new ATOM 0 HA MET A 52 -7.449 6.947 -2.263 1.00 74.02 H new ATOM 0 HB2 MET A 52 -6.614 6.910 -4.505 1.00 41.42 H new ATOM 0 HB3 MET A 52 -6.590 5.264 -3.903 1.00 41.42 H new ATOM 0 HG2 MET A 52 -8.668 4.770 -5.177 1.00 14.45 H new ATOM 0 HG3 MET A 52 -8.683 6.414 -5.784 1.00 14.45 H new ATOM 0 HE1 MET A 52 -5.634 3.129 -6.936 1.00 4.22 H new ATOM 0 HE2 MET A 52 -5.302 4.073 -5.465 1.00 4.22 H new ATOM 0 HE3 MET A 52 -6.778 3.084 -5.574 1.00 4.22 H new ATOM 867 N SER A 53 -10.451 7.224 -3.459 1.00 32.42 N ATOM 868 CA SER A 53 -11.563 8.197 -3.644 1.00 51.44 C ATOM 869 C SER A 53 -11.719 9.106 -2.401 1.00 54.11 C ATOM 870 O SER A 53 -12.215 10.233 -2.507 1.00 63.42 O ATOM 871 CB SER A 53 -12.907 7.472 -3.930 1.00 62.32 C ATOM 872 OG SER A 53 -12.896 6.815 -5.192 1.00 2.43 O ATOM 0 H SER A 53 -10.761 6.256 -3.373 1.00 32.42 H new ATOM 0 HA SER A 53 -11.309 8.815 -4.506 1.00 51.44 H new ATOM 0 HB2 SER A 53 -13.101 6.743 -3.143 1.00 62.32 H new ATOM 0 HB3 SER A 53 -13.722 8.195 -3.904 1.00 62.32 H new ATOM 0 HG SER A 53 -12.291 6.045 -5.155 1.00 2.43 H new ATOM 878 N LYS A 54 -11.301 8.598 -1.222 1.00 73.33 N ATOM 879 CA LYS A 54 -11.334 9.369 0.044 1.00 53.13 C ATOM 880 C LYS A 54 -9.993 10.113 0.270 1.00 20.55 C ATOM 881 O LYS A 54 -9.962 11.333 0.481 1.00 45.02 O ATOM 882 CB LYS A 54 -11.614 8.417 1.250 1.00 70.41 C ATOM 883 CG LYS A 54 -12.838 7.483 1.089 1.00 53.34 C ATOM 884 CD LYS A 54 -14.150 8.237 0.762 1.00 1.21 C ATOM 885 CE LYS A 54 -15.377 7.309 0.752 1.00 25.10 C ATOM 886 NZ LYS A 54 -15.644 6.731 2.095 1.00 4.44 N ATOM 0 H LYS A 54 -10.934 7.652 -1.118 1.00 73.33 H new ATOM 0 HA LYS A 54 -12.135 10.104 -0.029 1.00 53.13 H new ATOM 0 HB2 LYS A 54 -10.730 7.803 1.419 1.00 70.41 H new ATOM 0 HB3 LYS A 54 -11.756 9.024 2.144 1.00 70.41 H new ATOM 0 HG2 LYS A 54 -12.634 6.763 0.296 1.00 53.34 H new ATOM 0 HG3 LYS A 54 -12.975 6.914 2.009 1.00 53.34 H new ATOM 0 HD2 LYS A 54 -14.303 9.028 1.496 1.00 1.21 H new ATOM 0 HD3 LYS A 54 -14.055 8.719 -0.211 1.00 1.21 H new ATOM 0 HE2 LYS A 54 -16.251 7.866 0.416 1.00 25.10 H new ATOM 0 HE3 LYS A 54 -15.218 6.504 0.035 1.00 25.10 H new ATOM 0 HZ1 LYS A 54 -16.581 6.281 2.099 1.00 4.44 H new ATOM 0 HZ2 LYS A 54 -14.918 6.021 2.318 1.00 4.44 H new ATOM 0 HZ3 LYS A 54 -15.620 7.487 2.809 1.00 4.44 H new ATOM 900 N GLU A 55 -8.889 9.348 0.209 1.00 44.11 N ATOM 901 CA GLU A 55 -7.523 9.829 0.526 1.00 1.11 C ATOM 902 C GLU A 55 -6.602 9.714 -0.711 1.00 41.00 C ATOM 903 O GLU A 55 -6.438 8.622 -1.264 1.00 24.13 O ATOM 904 CB GLU A 55 -6.926 8.990 1.698 1.00 25.30 C ATOM 905 CG GLU A 55 -7.764 8.968 2.998 1.00 14.52 C ATOM 906 CD GLU A 55 -7.934 10.354 3.648 1.00 4.14 C ATOM 907 OE1 GLU A 55 -6.966 10.850 4.275 1.00 12.12 O ATOM 908 OE2 GLU A 55 -9.025 10.956 3.533 1.00 11.13 O ATOM 0 H GLU A 55 -8.915 8.366 -0.065 1.00 44.11 H new ATOM 0 HA GLU A 55 -7.587 10.877 0.820 1.00 1.11 H new ATOM 0 HB2 GLU A 55 -6.793 7.964 1.355 1.00 25.30 H new ATOM 0 HB3 GLU A 55 -5.935 9.379 1.932 1.00 25.30 H new ATOM 0 HG2 GLU A 55 -8.749 8.556 2.778 1.00 14.52 H new ATOM 0 HG3 GLU A 55 -7.290 8.296 3.714 1.00 14.52 H new ATOM 915 N GLN A 56 -6.004 10.839 -1.139 1.00 73.15 N ATOM 916 CA GLN A 56 -5.001 10.844 -2.229 1.00 13.31 C ATOM 917 C GLN A 56 -3.679 10.174 -1.763 1.00 22.32 C ATOM 918 O GLN A 56 -3.297 10.284 -0.592 1.00 21.44 O ATOM 919 CB GLN A 56 -4.743 12.299 -2.723 1.00 24.41 C ATOM 920 CG GLN A 56 -4.185 13.271 -1.649 1.00 71.41 C ATOM 921 CD GLN A 56 -3.970 14.703 -2.156 1.00 64.12 C ATOM 922 OE1 GLN A 56 -4.662 15.183 -3.051 1.00 32.41 O ATOM 923 NE2 GLN A 56 -3.035 15.414 -1.562 1.00 4.31 N ATOM 0 H GLN A 56 -6.196 11.761 -0.748 1.00 73.15 H new ATOM 0 HA GLN A 56 -5.395 10.264 -3.064 1.00 13.31 H new ATOM 0 HB2 GLN A 56 -4.043 12.264 -3.557 1.00 24.41 H new ATOM 0 HB3 GLN A 56 -5.678 12.706 -3.108 1.00 24.41 H new ATOM 0 HG2 GLN A 56 -4.872 13.295 -0.803 1.00 71.41 H new ATOM 0 HG3 GLN A 56 -3.237 12.881 -1.278 1.00 71.41 H new ATOM 0 HE21 GLN A 56 -2.471 14.998 -0.821 1.00 4.31 H new ATOM 0 HE22 GLN A 56 -2.874 16.381 -1.843 1.00 4.31 H new ATOM 932 N PHE A 57 -3.002 9.455 -2.674 1.00 40.31 N ATOM 933 CA PHE A 57 -1.698 8.807 -2.391 1.00 40.23 C ATOM 934 C PHE A 57 -0.599 9.407 -3.296 1.00 13.34 C ATOM 935 O PHE A 57 -0.779 9.513 -4.512 1.00 64.34 O ATOM 936 CB PHE A 57 -1.794 7.270 -2.590 1.00 53.53 C ATOM 937 CG PHE A 57 -2.783 6.577 -1.643 1.00 54.30 C ATOM 938 CD1 PHE A 57 -2.458 6.377 -0.303 1.00 24.25 C ATOM 939 CD2 PHE A 57 -4.030 6.132 -2.093 1.00 21.45 C ATOM 940 CE1 PHE A 57 -3.346 5.757 0.559 1.00 5.54 C ATOM 941 CE2 PHE A 57 -4.916 5.511 -1.227 1.00 72.34 C ATOM 942 CZ PHE A 57 -4.572 5.322 0.096 1.00 64.13 C ATOM 0 H PHE A 57 -3.337 9.303 -3.626 1.00 40.31 H new ATOM 0 HA PHE A 57 -1.434 8.996 -1.351 1.00 40.23 H new ATOM 0 HB2 PHE A 57 -2.089 7.065 -3.619 1.00 53.53 H new ATOM 0 HB3 PHE A 57 -0.805 6.833 -2.449 1.00 53.53 H new ATOM 0 HD1 PHE A 57 -1.500 6.710 0.068 1.00 24.25 H new ATOM 0 HD2 PHE A 57 -4.306 6.274 -3.127 1.00 21.45 H new ATOM 0 HE1 PHE A 57 -3.079 5.613 1.596 1.00 5.54 H new ATOM 0 HE2 PHE A 57 -5.877 5.175 -1.588 1.00 72.34 H new ATOM 0 HZ PHE A 57 -5.261 4.834 0.769 1.00 64.13 H new ATOM 952 N ASN A 58 0.531 9.797 -2.683 1.00 22.33 N ATOM 953 CA ASN A 58 1.681 10.403 -3.391 1.00 44.02 C ATOM 954 C ASN A 58 2.432 9.367 -4.265 1.00 10.41 C ATOM 955 O ASN A 58 2.239 8.158 -4.109 1.00 51.45 O ATOM 956 CB ASN A 58 2.630 11.036 -2.346 1.00 44.15 C ATOM 957 CG ASN A 58 1.965 12.164 -1.546 1.00 72.23 C ATOM 958 OD1 ASN A 58 1.141 12.910 -2.064 1.00 40.24 O ATOM 959 ND2 ASN A 58 2.303 12.287 -0.280 1.00 3.52 N ATOM 0 H ASN A 58 0.677 9.702 -1.678 1.00 22.33 H new ATOM 0 HA ASN A 58 1.312 11.172 -4.069 1.00 44.02 H new ATOM 0 HB2 ASN A 58 2.974 10.263 -1.659 1.00 44.15 H new ATOM 0 HB3 ASN A 58 3.512 11.427 -2.853 1.00 44.15 H new ATOM 0 HD21 ASN A 58 1.877 13.015 0.293 1.00 3.52 H new ATOM 0 HD22 ASN A 58 2.991 11.654 0.128 1.00 3.52 H new ATOM 966 N GLU A 59 3.295 9.870 -5.172 1.00 62.22 N ATOM 967 CA GLU A 59 4.067 9.035 -6.136 1.00 43.41 C ATOM 968 C GLU A 59 4.904 7.921 -5.449 1.00 41.52 C ATOM 969 O GLU A 59 5.009 6.800 -5.960 1.00 70.41 O ATOM 970 CB GLU A 59 4.995 9.944 -6.993 1.00 15.13 C ATOM 971 CG GLU A 59 6.028 10.766 -6.178 1.00 30.54 C ATOM 972 CD GLU A 59 6.979 11.599 -7.049 1.00 34.21 C ATOM 973 OE1 GLU A 59 7.950 11.026 -7.597 1.00 60.44 O ATOM 974 OE2 GLU A 59 6.775 12.825 -7.186 1.00 54.03 O ATOM 0 H GLU A 59 3.482 10.869 -5.262 1.00 62.22 H new ATOM 0 HA GLU A 59 3.339 8.531 -6.771 1.00 43.41 H new ATOM 0 HB2 GLU A 59 5.530 9.321 -7.709 1.00 15.13 H new ATOM 0 HB3 GLU A 59 4.376 10.632 -7.569 1.00 15.13 H new ATOM 0 HG2 GLU A 59 5.495 11.431 -5.499 1.00 30.54 H new ATOM 0 HG3 GLU A 59 6.616 10.086 -5.562 1.00 30.54 H new ATOM 981 N ALA A 60 5.489 8.257 -4.285 1.00 51.14 N ATOM 982 CA ALA A 60 6.290 7.322 -3.472 1.00 64.24 C ATOM 983 C ALA A 60 5.409 6.225 -2.837 1.00 30.43 C ATOM 984 O ALA A 60 5.755 5.037 -2.877 1.00 21.43 O ATOM 985 CB ALA A 60 7.055 8.103 -2.388 1.00 64.20 C ATOM 0 H ALA A 60 5.419 9.190 -3.879 1.00 51.14 H new ATOM 0 HA ALA A 60 7.005 6.823 -4.126 1.00 64.24 H new ATOM 0 HB1 ALA A 60 7.646 7.410 -1.789 1.00 64.20 H new ATOM 0 HB2 ALA A 60 7.716 8.829 -2.861 1.00 64.20 H new ATOM 0 HB3 ALA A 60 6.345 8.624 -1.746 1.00 64.20 H new ATOM 991 N GLN A 61 4.263 6.649 -2.265 1.00 20.44 N ATOM 992 CA GLN A 61 3.296 5.742 -1.601 1.00 13.44 C ATOM 993 C GLN A 61 2.719 4.701 -2.595 1.00 25.45 C ATOM 994 O GLN A 61 2.680 3.512 -2.295 1.00 22.23 O ATOM 995 CB GLN A 61 2.148 6.561 -0.949 1.00 70.21 C ATOM 996 CG GLN A 61 2.614 7.570 0.125 1.00 54.34 C ATOM 997 CD GLN A 61 1.455 8.304 0.812 1.00 12.33 C ATOM 998 OE1 GLN A 61 1.003 9.346 0.346 1.00 35.25 O ATOM 999 NE2 GLN A 61 0.959 7.766 1.916 1.00 14.43 N ATOM 0 H GLN A 61 3.980 7.629 -2.249 1.00 20.44 H new ATOM 0 HA GLN A 61 3.830 5.198 -0.822 1.00 13.44 H new ATOM 0 HB2 GLN A 61 1.614 7.102 -1.731 1.00 70.21 H new ATOM 0 HB3 GLN A 61 1.437 5.870 -0.497 1.00 70.21 H new ATOM 0 HG2 GLN A 61 3.199 7.043 0.879 1.00 54.34 H new ATOM 0 HG3 GLN A 61 3.276 8.303 -0.337 1.00 54.34 H new ATOM 0 HE21 GLN A 61 1.353 6.899 2.282 1.00 14.43 H new ATOM 0 HE22 GLN A 61 0.183 8.218 2.400 1.00 14.43 H new ATOM 1008 N LEU A 62 2.305 5.178 -3.786 1.00 64.21 N ATOM 1009 CA LEU A 62 1.775 4.321 -4.881 1.00 45.22 C ATOM 1010 C LEU A 62 2.818 3.289 -5.379 1.00 13.12 C ATOM 1011 O LEU A 62 2.460 2.155 -5.714 1.00 31.24 O ATOM 1012 CB LEU A 62 1.297 5.204 -6.065 1.00 64.54 C ATOM 1013 CG LEU A 62 0.015 6.056 -5.800 1.00 24.22 C ATOM 1014 CD1 LEU A 62 -0.257 7.047 -6.955 1.00 20.22 C ATOM 1015 CD2 LEU A 62 -1.216 5.145 -5.543 1.00 21.54 C ATOM 0 H LEU A 62 2.326 6.170 -4.022 1.00 64.21 H new ATOM 0 HA LEU A 62 0.932 3.762 -4.474 1.00 45.22 H new ATOM 0 HB2 LEU A 62 2.108 5.878 -6.342 1.00 64.54 H new ATOM 0 HB3 LEU A 62 1.111 4.559 -6.924 1.00 64.54 H new ATOM 0 HG LEU A 62 0.192 6.645 -4.900 1.00 24.22 H new ATOM 0 HD11 LEU A 62 -1.156 7.623 -6.736 1.00 20.22 H new ATOM 0 HD12 LEU A 62 0.591 7.724 -7.061 1.00 20.22 H new ATOM 0 HD13 LEU A 62 -0.397 6.494 -7.884 1.00 20.22 H new ATOM 0 HD21 LEU A 62 -2.095 5.764 -5.361 1.00 21.54 H new ATOM 0 HD22 LEU A 62 -1.390 4.514 -6.415 1.00 21.54 H new ATOM 0 HD23 LEU A 62 -1.028 4.517 -4.672 1.00 21.54 H new ATOM 1027 N ALA A 63 4.101 3.707 -5.428 1.00 2.51 N ATOM 1028 CA ALA A 63 5.229 2.825 -5.821 1.00 62.51 C ATOM 1029 C ALA A 63 5.427 1.656 -4.818 1.00 73.11 C ATOM 1030 O ALA A 63 5.736 0.525 -5.215 1.00 44.11 O ATOM 1031 CB ALA A 63 6.521 3.654 -5.958 1.00 22.44 C ATOM 0 H ALA A 63 4.386 4.659 -5.198 1.00 2.51 H new ATOM 0 HA ALA A 63 4.987 2.380 -6.786 1.00 62.51 H new ATOM 0 HB1 ALA A 63 7.344 3.000 -6.246 1.00 22.44 H new ATOM 0 HB2 ALA A 63 6.382 4.421 -6.720 1.00 22.44 H new ATOM 0 HB3 ALA A 63 6.752 4.128 -5.004 1.00 22.44 H new ATOM 1037 N LEU A 64 5.236 1.952 -3.519 1.00 73.12 N ATOM 1038 CA LEU A 64 5.301 0.936 -2.438 1.00 71.14 C ATOM 1039 C LEU A 64 4.096 -0.038 -2.498 1.00 71.13 C ATOM 1040 O LEU A 64 4.275 -1.254 -2.453 1.00 61.05 O ATOM 1041 CB LEU A 64 5.355 1.630 -1.054 1.00 73.34 C ATOM 1042 CG LEU A 64 5.478 0.681 0.179 1.00 35.40 C ATOM 1043 CD1 LEU A 64 6.767 -0.169 0.128 1.00 11.51 C ATOM 1044 CD2 LEU A 64 5.389 1.464 1.500 1.00 32.11 C ATOM 0 H LEU A 64 5.033 2.894 -3.185 1.00 73.12 H new ATOM 0 HA LEU A 64 6.210 0.353 -2.585 1.00 71.14 H new ATOM 0 HB2 LEU A 64 6.202 2.316 -1.046 1.00 73.34 H new ATOM 0 HB3 LEU A 64 4.455 2.233 -0.936 1.00 73.34 H new ATOM 0 HG LEU A 64 4.633 -0.006 0.136 1.00 35.40 H new ATOM 0 HD11 LEU A 64 6.812 -0.815 1.005 1.00 11.51 H new ATOM 0 HD12 LEU A 64 6.764 -0.781 -0.774 1.00 11.51 H new ATOM 0 HD13 LEU A 64 7.636 0.489 0.117 1.00 11.51 H new ATOM 0 HD21 LEU A 64 5.478 0.774 2.339 1.00 32.11 H new ATOM 0 HD22 LEU A 64 6.196 2.195 1.545 1.00 32.11 H new ATOM 0 HD23 LEU A 64 4.430 1.979 1.554 1.00 32.11 H new ATOM 1056 N ILE A 65 2.876 0.521 -2.611 1.00 12.24 N ATOM 1057 CA ILE A 65 1.612 -0.259 -2.737 1.00 13.32 C ATOM 1058 C ILE A 65 1.655 -1.206 -3.974 1.00 35.40 C ATOM 1059 O ILE A 65 1.113 -2.324 -3.949 1.00 1.14 O ATOM 1060 CB ILE A 65 0.375 0.728 -2.829 1.00 63.25 C ATOM 1061 CG1 ILE A 65 0.270 1.589 -1.520 1.00 32.12 C ATOM 1062 CG2 ILE A 65 -0.963 -0.016 -3.113 1.00 50.32 C ATOM 1063 CD1 ILE A 65 -0.724 2.745 -1.576 1.00 43.11 C ATOM 0 H ILE A 65 2.730 1.530 -2.618 1.00 12.24 H new ATOM 0 HA ILE A 65 1.502 -0.882 -1.849 1.00 13.32 H new ATOM 0 HB ILE A 65 0.550 1.389 -3.678 1.00 63.25 H new ATOM 0 HG12 ILE A 65 -0.008 0.933 -0.695 1.00 32.12 H new ATOM 0 HG13 ILE A 65 1.257 1.991 -1.290 1.00 32.12 H new ATOM 0 HG21 ILE A 65 -1.777 0.707 -3.166 1.00 50.32 H new ATOM 0 HG22 ILE A 65 -0.889 -0.549 -4.061 1.00 50.32 H new ATOM 0 HG23 ILE A 65 -1.161 -0.727 -2.311 1.00 50.32 H new ATOM 0 HD11 ILE A 65 -0.720 3.275 -0.624 1.00 43.11 H new ATOM 0 HD12 ILE A 65 -0.440 3.431 -2.374 1.00 43.11 H new ATOM 0 HD13 ILE A 65 -1.724 2.356 -1.770 1.00 43.11 H new ATOM 1075 N ARG A 66 2.332 -0.737 -5.036 1.00 53.04 N ATOM 1076 CA ARG A 66 2.565 -1.509 -6.275 1.00 12.42 C ATOM 1077 C ARG A 66 3.473 -2.738 -6.003 1.00 60.01 C ATOM 1078 O ARG A 66 3.159 -3.866 -6.397 1.00 44.11 O ATOM 1079 CB ARG A 66 3.240 -0.586 -7.336 1.00 15.41 C ATOM 1080 CG ARG A 66 3.160 -1.085 -8.795 1.00 22.23 C ATOM 1081 CD ARG A 66 1.725 -1.007 -9.352 1.00 52.21 C ATOM 1082 NE ARG A 66 1.180 0.362 -9.267 1.00 2.34 N ATOM 1083 CZ ARG A 66 -0.095 0.685 -9.262 1.00 4.03 C ATOM 1084 NH1 ARG A 66 -1.026 -0.215 -9.361 1.00 53.41 N ATOM 1085 NH2 ARG A 66 -0.430 1.930 -9.160 1.00 43.01 N ATOM 0 H ARG A 66 2.738 0.198 -5.062 1.00 53.04 H new ATOM 0 HA ARG A 66 1.605 -1.868 -6.647 1.00 12.42 H new ATOM 0 HB2 ARG A 66 2.778 0.400 -7.281 1.00 15.41 H new ATOM 0 HB3 ARG A 66 4.290 -0.462 -7.069 1.00 15.41 H new ATOM 0 HG2 ARG A 66 3.825 -0.488 -9.420 1.00 22.23 H new ATOM 0 HG3 ARG A 66 3.514 -2.115 -8.846 1.00 22.23 H new ATOM 0 HD2 ARG A 66 1.719 -1.337 -10.391 1.00 52.21 H new ATOM 0 HD3 ARG A 66 1.082 -1.690 -8.797 1.00 52.21 H new ATOM 0 HE ARG A 66 1.853 1.126 -9.207 1.00 2.34 H new ATOM 0 HH11 ARG A 66 -0.776 -1.200 -9.445 1.00 53.41 H new ATOM 0 HH12 ARG A 66 -2.007 0.063 -9.354 1.00 53.41 H new ATOM 0 HH21 ARG A 66 0.291 2.648 -9.085 1.00 43.01 H new ATOM 0 HH22 ARG A 66 -1.415 2.194 -9.155 1.00 43.01 H new ATOM 1099 N ASP A 67 4.589 -2.486 -5.295 1.00 22.44 N ATOM 1100 CA ASP A 67 5.668 -3.473 -5.079 1.00 20.12 C ATOM 1101 C ASP A 67 5.270 -4.576 -4.051 1.00 40.44 C ATOM 1102 O ASP A 67 5.463 -5.771 -4.314 1.00 4.54 O ATOM 1103 CB ASP A 67 6.955 -2.716 -4.631 1.00 52.23 C ATOM 1104 CG ASP A 67 8.232 -3.576 -4.588 1.00 62.33 C ATOM 1105 OD1 ASP A 67 8.325 -4.575 -5.338 1.00 71.53 O ATOM 1106 OD2 ASP A 67 9.169 -3.229 -3.836 1.00 50.55 O ATOM 0 H ASP A 67 4.771 -1.585 -4.852 1.00 22.44 H new ATOM 0 HA ASP A 67 5.855 -3.996 -6.017 1.00 20.12 H new ATOM 0 HB2 ASP A 67 7.121 -1.879 -5.309 1.00 52.23 H new ATOM 0 HB3 ASP A 67 6.785 -2.295 -3.640 1.00 52.23 H new ATOM 1111 N ILE A 68 4.714 -4.151 -2.900 1.00 54.22 N ATOM 1112 CA ILE A 68 4.252 -5.053 -1.803 1.00 51.43 C ATOM 1113 C ILE A 68 3.274 -6.153 -2.308 1.00 63.43 C ATOM 1114 O ILE A 68 3.439 -7.347 -2.001 1.00 21.33 O ATOM 1115 CB ILE A 68 3.544 -4.221 -0.655 1.00 51.24 C ATOM 1116 CG1 ILE A 68 4.555 -3.283 0.079 1.00 30.41 C ATOM 1117 CG2 ILE A 68 2.807 -5.128 0.359 1.00 2.04 C ATOM 1118 CD1 ILE A 68 3.970 -2.480 1.241 1.00 54.54 C ATOM 0 H ILE A 68 4.567 -3.163 -2.694 1.00 54.22 H new ATOM 0 HA ILE A 68 5.144 -5.544 -1.413 1.00 51.43 H new ATOM 0 HB ILE A 68 2.793 -3.600 -1.143 1.00 51.24 H new ATOM 0 HG12 ILE A 68 5.380 -3.888 0.455 1.00 30.41 H new ATOM 0 HG13 ILE A 68 4.975 -2.587 -0.648 1.00 30.41 H new ATOM 0 HG21 ILE A 68 2.338 -4.511 1.126 1.00 2.04 H new ATOM 0 HG22 ILE A 68 2.042 -5.706 -0.159 1.00 2.04 H new ATOM 0 HG23 ILE A 68 3.521 -5.807 0.826 1.00 2.04 H new ATOM 0 HD11 ILE A 68 4.750 -1.861 1.684 1.00 54.54 H new ATOM 0 HD12 ILE A 68 3.165 -1.843 0.874 1.00 54.54 H new ATOM 0 HD13 ILE A 68 3.577 -3.163 1.994 1.00 54.54 H new ATOM 1130 N ARG A 69 2.265 -5.723 -3.086 1.00 11.13 N ATOM 1131 CA ARG A 69 1.176 -6.597 -3.585 1.00 31.31 C ATOM 1132 C ARG A 69 1.705 -7.736 -4.509 1.00 34.05 C ATOM 1133 O ARG A 69 1.123 -8.825 -4.568 1.00 41.22 O ATOM 1134 CB ARG A 69 0.119 -5.719 -4.307 1.00 73.34 C ATOM 1135 CG ARG A 69 -1.177 -6.459 -4.708 1.00 23.52 C ATOM 1136 CD ARG A 69 -2.232 -5.520 -5.331 1.00 23.13 C ATOM 1137 NE ARG A 69 -2.664 -4.460 -4.397 1.00 3.34 N ATOM 1138 CZ ARG A 69 -3.716 -3.683 -4.551 1.00 5.44 C ATOM 1139 NH1 ARG A 69 -4.527 -3.833 -5.554 1.00 74.53 N ATOM 1140 NH2 ARG A 69 -3.978 -2.782 -3.659 1.00 64.24 N ATOM 0 H ARG A 69 2.177 -4.754 -3.391 1.00 11.13 H new ATOM 0 HA ARG A 69 0.713 -7.098 -2.735 1.00 31.31 H new ATOM 0 HB2 ARG A 69 -0.143 -4.884 -3.658 1.00 73.34 H new ATOM 0 HB3 ARG A 69 0.571 -5.296 -5.204 1.00 73.34 H new ATOM 0 HG2 ARG A 69 -0.934 -7.248 -5.419 1.00 23.52 H new ATOM 0 HG3 ARG A 69 -1.601 -6.942 -3.828 1.00 23.52 H new ATOM 0 HD2 ARG A 69 -1.821 -5.062 -6.231 1.00 23.13 H new ATOM 0 HD3 ARG A 69 -3.099 -6.105 -5.638 1.00 23.13 H new ATOM 0 HE ARG A 69 -2.098 -4.318 -3.560 1.00 3.34 H new ATOM 0 HH11 ARG A 69 -4.356 -4.565 -6.243 1.00 74.53 H new ATOM 0 HH12 ARG A 69 -5.336 -3.219 -5.652 1.00 74.53 H new ATOM 0 HH21 ARG A 69 -3.372 -2.678 -2.845 1.00 64.24 H new ATOM 0 HH22 ARG A 69 -4.791 -2.176 -3.770 1.00 64.24 H new ATOM 1154 N ARG A 70 2.821 -7.465 -5.215 1.00 55.30 N ATOM 1155 CA ARG A 70 3.480 -8.447 -6.116 1.00 10.34 C ATOM 1156 C ARG A 70 4.345 -9.469 -5.337 1.00 61.02 C ATOM 1157 O ARG A 70 4.607 -10.577 -5.826 1.00 11.33 O ATOM 1158 CB ARG A 70 4.373 -7.709 -7.140 1.00 71.42 C ATOM 1159 CG ARG A 70 3.643 -6.648 -7.979 1.00 3.54 C ATOM 1160 CD ARG A 70 4.586 -5.908 -8.944 1.00 14.24 C ATOM 1161 NE ARG A 70 5.712 -5.244 -8.253 1.00 71.33 N ATOM 1162 CZ ARG A 70 6.526 -4.368 -8.805 1.00 44.03 C ATOM 1163 NH1 ARG A 70 6.324 -3.927 -10.010 1.00 31.40 N ATOM 1164 NH2 ARG A 70 7.537 -3.921 -8.136 1.00 51.11 N ATOM 0 H ARG A 70 3.295 -6.562 -5.181 1.00 55.30 H new ATOM 0 HA ARG A 70 2.688 -8.994 -6.627 1.00 10.34 H new ATOM 0 HB2 ARG A 70 5.194 -7.230 -6.607 1.00 71.42 H new ATOM 0 HB3 ARG A 70 4.815 -8.444 -7.813 1.00 71.42 H new ATOM 0 HG2 ARG A 70 2.846 -7.126 -8.550 1.00 3.54 H new ATOM 0 HG3 ARG A 70 3.170 -5.926 -7.314 1.00 3.54 H new ATOM 0 HD2 ARG A 70 4.980 -6.616 -9.673 1.00 14.24 H new ATOM 0 HD3 ARG A 70 4.017 -5.163 -9.500 1.00 14.24 H new ATOM 0 HE ARG A 70 5.870 -5.483 -7.274 1.00 71.33 H new ATOM 0 HH11 ARG A 70 5.523 -4.259 -10.547 1.00 31.40 H new ATOM 0 HH12 ARG A 70 6.966 -3.249 -10.419 1.00 31.40 H new ATOM 0 HH21 ARG A 70 7.703 -4.247 -7.184 1.00 51.11 H new ATOM 0 HH22 ARG A 70 8.170 -3.243 -8.560 1.00 51.11 H new ATOM 1178 N ARG A 71 4.806 -9.071 -4.139 1.00 11.43 N ATOM 1179 CA ARG A 71 5.730 -9.887 -3.321 1.00 73.21 C ATOM 1180 C ARG A 71 4.958 -10.943 -2.488 1.00 43.44 C ATOM 1181 O ARG A 71 5.153 -12.154 -2.654 1.00 4.22 O ATOM 1182 CB ARG A 71 6.566 -8.965 -2.388 1.00 33.12 C ATOM 1183 CG ARG A 71 7.839 -9.629 -1.811 1.00 30.44 C ATOM 1184 CD ARG A 71 8.561 -8.752 -0.761 1.00 3.11 C ATOM 1185 NE ARG A 71 8.667 -7.335 -1.160 1.00 44.01 N ATOM 1186 CZ ARG A 71 9.474 -6.829 -2.067 1.00 64.31 C ATOM 1187 NH1 ARG A 71 10.271 -7.567 -2.779 1.00 60.53 N ATOM 1188 NH2 ARG A 71 9.459 -5.558 -2.258 1.00 63.24 N ATOM 0 H ARG A 71 4.553 -8.181 -3.709 1.00 11.43 H new ATOM 0 HA ARG A 71 6.403 -10.420 -3.993 1.00 73.21 H new ATOM 0 HB2 ARG A 71 6.856 -8.073 -2.943 1.00 33.12 H new ATOM 0 HB3 ARG A 71 5.936 -8.636 -1.562 1.00 33.12 H new ATOM 0 HG2 ARG A 71 7.569 -10.582 -1.356 1.00 30.44 H new ATOM 0 HG3 ARG A 71 8.528 -9.849 -2.627 1.00 30.44 H new ATOM 0 HD2 ARG A 71 8.026 -8.817 0.187 1.00 3.11 H new ATOM 0 HD3 ARG A 71 9.561 -9.150 -0.590 1.00 3.11 H new ATOM 0 HE ARG A 71 8.049 -6.679 -0.682 1.00 44.01 H new ATOM 0 HH11 ARG A 71 10.286 -8.578 -2.644 1.00 60.53 H new ATOM 0 HH12 ARG A 71 10.882 -7.136 -3.473 1.00 60.53 H new ATOM 0 HH21 ARG A 71 8.831 -4.968 -1.712 1.00 63.24 H new ATOM 0 HH22 ARG A 71 10.075 -5.140 -2.955 1.00 63.24 H new