USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=5 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 58 ASN : amide:sc= -0.218 X(o=0.12,f=0.58) USER MOD Set 1.2: A 61 GLN : amide:sc= 0.342 K(o=0.12,f=-4.9!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0603 USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 0.366 (180deg=0.357) USER MOD Single : A 32 HIS : no HD1:sc= -0.152 K(o=-0.15,f=-0.72) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.911 K(o=0.91,f=0) USER MOD Single : A 49 ASN : amide:sc= -2.47! K(o=-2.5!,f=-1.1) USER MOD Single : A 51 MET CE :methyl -163:sc= -0.211 (180deg=-0.755) USER MOD Single : A 52 MET CE :methyl -176:sc= 0 (180deg=-0.0158) USER MOD Single : A 53 SER OG : rot -66:sc= 0.364 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 7.265 -7.123 11.187 1.00 52.31 N ATOM 330 CA LEU A 21 7.790 -6.011 10.378 1.00 10.34 C ATOM 331 C LEU A 21 8.497 -6.547 9.109 1.00 52.24 C ATOM 332 O LEU A 21 9.706 -6.808 9.115 1.00 42.20 O ATOM 333 CB LEU A 21 8.742 -5.128 11.237 1.00 41.21 C ATOM 334 CG LEU A 21 8.129 -4.549 12.554 1.00 62.40 C ATOM 335 CD1 LEU A 21 9.151 -3.667 13.312 1.00 42.13 C ATOM 336 CD2 LEU A 21 6.815 -3.773 12.277 1.00 73.34 C ATOM 0 HA LEU A 21 6.959 -5.387 10.049 1.00 10.34 H new ATOM 0 HB2 LEU A 21 9.620 -5.720 11.497 1.00 41.21 H new ATOM 0 HB3 LEU A 21 9.088 -4.296 10.623 1.00 41.21 H new ATOM 0 HG LEU A 21 7.881 -5.395 13.196 1.00 62.40 H new ATOM 0 HD11 LEU A 21 8.693 -3.280 14.222 1.00 42.13 H new ATOM 0 HD12 LEU A 21 10.025 -4.264 13.571 1.00 42.13 H new ATOM 0 HD13 LEU A 21 9.455 -2.835 12.677 1.00 42.13 H new ATOM 0 HD21 LEU A 21 6.417 -3.385 13.215 1.00 73.34 H new ATOM 0 HD22 LEU A 21 7.018 -2.945 11.598 1.00 73.34 H new ATOM 0 HD23 LEU A 21 6.085 -4.444 11.823 1.00 73.34 H new ATOM 348 N THR A 22 7.705 -6.743 8.037 1.00 5.01 N ATOM 349 CA THR A 22 8.195 -7.248 6.725 1.00 12.31 C ATOM 350 C THR A 22 9.106 -6.212 6.011 1.00 71.12 C ATOM 351 O THR A 22 9.262 -5.083 6.480 1.00 11.54 O ATOM 352 CB THR A 22 6.993 -7.613 5.775 1.00 21.03 C ATOM 353 OG1 THR A 22 6.297 -6.417 5.373 1.00 54.24 O ATOM 354 CG2 THR A 22 5.992 -8.575 6.449 1.00 63.12 C ATOM 0 H THR A 22 6.702 -6.557 8.050 1.00 5.01 H new ATOM 0 HA THR A 22 8.780 -8.143 6.935 1.00 12.31 H new ATOM 0 HB THR A 22 7.415 -8.115 4.904 1.00 21.03 H new ATOM 0 HG1 THR A 22 5.553 -6.655 4.781 1.00 54.24 H new ATOM 0 HG21 THR A 22 5.180 -8.799 5.757 1.00 63.12 H new ATOM 0 HG22 THR A 22 6.502 -9.499 6.721 1.00 63.12 H new ATOM 0 HG23 THR A 22 5.586 -8.107 7.346 1.00 63.12 H new ATOM 362 N ARG A 23 9.684 -6.610 4.862 1.00 62.10 N ATOM 363 CA ARG A 23 10.553 -5.732 4.031 1.00 11.03 C ATOM 364 C ARG A 23 9.840 -4.411 3.632 1.00 32.02 C ATOM 365 O ARG A 23 10.433 -3.330 3.675 1.00 54.42 O ATOM 366 CB ARG A 23 10.997 -6.509 2.763 1.00 35.02 C ATOM 367 CG ARG A 23 11.777 -7.808 3.059 1.00 13.31 C ATOM 368 CD ARG A 23 13.179 -7.563 3.650 1.00 61.44 C ATOM 369 NE ARG A 23 14.105 -6.970 2.665 1.00 41.21 N ATOM 370 CZ ARG A 23 15.410 -7.155 2.639 1.00 33.01 C ATOM 371 NH1 ARG A 23 16.010 -7.888 3.525 1.00 31.22 N ATOM 372 NH2 ARG A 23 16.111 -6.605 1.706 1.00 53.20 N ATOM 0 H ARG A 23 9.566 -7.547 4.477 1.00 62.10 H new ATOM 0 HA ARG A 23 11.424 -5.456 4.625 1.00 11.03 H new ATOM 0 HB2 ARG A 23 10.114 -6.755 2.173 1.00 35.02 H new ATOM 0 HB3 ARG A 23 11.619 -5.857 2.150 1.00 35.02 H new ATOM 0 HG2 ARG A 23 11.200 -8.418 3.754 1.00 13.31 H new ATOM 0 HG3 ARG A 23 11.875 -8.381 2.137 1.00 13.31 H new ATOM 0 HD2 ARG A 23 13.097 -6.902 4.513 1.00 61.44 H new ATOM 0 HD3 ARG A 23 13.590 -8.507 4.010 1.00 61.44 H new ATOM 0 HE ARG A 23 13.702 -6.368 1.946 1.00 41.21 H new ATOM 0 HH11 ARG A 23 15.471 -8.338 4.265 1.00 31.22 H new ATOM 0 HH12 ARG A 23 17.021 -8.015 3.482 1.00 31.22 H new ATOM 0 HH21 ARG A 23 15.655 -6.032 0.996 1.00 53.20 H new ATOM 0 HH22 ARG A 23 17.121 -6.743 1.679 1.00 53.20 H new ATOM 386 N ASP A 24 8.562 -4.532 3.249 1.00 73.30 N ATOM 387 CA ASP A 24 7.710 -3.388 2.869 1.00 23.42 C ATOM 388 C ASP A 24 7.190 -2.608 4.098 1.00 74.21 C ATOM 389 O ASP A 24 6.899 -1.425 3.978 1.00 63.04 O ATOM 390 CB ASP A 24 6.538 -3.867 1.994 1.00 4.40 C ATOM 391 CG ASP A 24 7.019 -4.719 0.822 1.00 1.42 C ATOM 392 OD1 ASP A 24 7.228 -5.936 1.031 1.00 22.12 O ATOM 393 OD2 ASP A 24 7.228 -4.175 -0.288 1.00 73.35 O ATOM 0 H ASP A 24 8.083 -5.431 3.192 1.00 73.30 H new ATOM 0 HA ASP A 24 8.328 -2.698 2.295 1.00 23.42 H new ATOM 0 HB2 ASP A 24 5.842 -4.445 2.602 1.00 4.40 H new ATOM 0 HB3 ASP A 24 5.990 -3.004 1.616 1.00 4.40 H new ATOM 398 N GLU A 25 7.020 -3.290 5.261 1.00 52.54 N ATOM 399 CA GLU A 25 6.687 -2.618 6.556 1.00 42.10 C ATOM 400 C GLU A 25 7.795 -1.610 6.944 1.00 53.22 C ATOM 401 O GLU A 25 7.509 -0.523 7.446 1.00 52.21 O ATOM 402 CB GLU A 25 6.466 -3.657 7.699 1.00 4.14 C ATOM 403 CG GLU A 25 5.070 -4.334 7.744 1.00 63.10 C ATOM 404 CD GLU A 25 3.984 -3.466 8.422 1.00 4.41 C ATOM 405 OE1 GLU A 25 3.894 -3.489 9.675 1.00 51.11 O ATOM 406 OE2 GLU A 25 3.232 -2.758 7.718 1.00 30.34 O ATOM 0 H GLU A 25 7.107 -4.304 5.334 1.00 52.54 H new ATOM 0 HA GLU A 25 5.752 -2.074 6.418 1.00 42.10 H new ATOM 0 HB2 GLU A 25 7.223 -4.436 7.606 1.00 4.14 H new ATOM 0 HB3 GLU A 25 6.637 -3.159 8.653 1.00 4.14 H new ATOM 0 HG2 GLU A 25 4.755 -4.567 6.727 1.00 63.10 H new ATOM 0 HG3 GLU A 25 5.152 -5.281 8.277 1.00 63.10 H new ATOM 413 N LEU A 26 9.056 -1.987 6.676 1.00 31.11 N ATOM 414 CA LEU A 26 10.230 -1.093 6.844 1.00 13.22 C ATOM 415 C LEU A 26 10.087 0.178 5.963 1.00 15.45 C ATOM 416 O LEU A 26 10.304 1.305 6.424 1.00 4.11 O ATOM 417 CB LEU A 26 11.525 -1.859 6.462 1.00 5.51 C ATOM 418 CG LEU A 26 11.794 -3.186 7.243 1.00 3.41 C ATOM 419 CD1 LEU A 26 12.994 -3.962 6.653 1.00 35.32 C ATOM 420 CD2 LEU A 26 11.983 -2.923 8.756 1.00 24.40 C ATOM 0 H LEU A 26 9.298 -2.918 6.337 1.00 31.11 H new ATOM 0 HA LEU A 26 10.284 -0.781 7.887 1.00 13.22 H new ATOM 0 HB2 LEU A 26 11.486 -2.089 5.397 1.00 5.51 H new ATOM 0 HB3 LEU A 26 12.375 -1.193 6.613 1.00 5.51 H new ATOM 0 HG LEU A 26 10.911 -3.814 7.126 1.00 3.41 H new ATOM 0 HD11 LEU A 26 13.150 -4.878 7.222 1.00 35.32 H new ATOM 0 HD12 LEU A 26 12.789 -4.212 5.612 1.00 35.32 H new ATOM 0 HD13 LEU A 26 13.890 -3.344 6.708 1.00 35.32 H new ATOM 0 HD21 LEU A 26 12.168 -3.867 9.269 1.00 24.40 H new ATOM 0 HD22 LEU A 26 12.832 -2.256 8.906 1.00 24.40 H new ATOM 0 HD23 LEU A 26 11.082 -2.461 9.160 1.00 24.40 H new ATOM 432 N ARG A 27 9.693 -0.041 4.692 1.00 2.21 N ATOM 433 CA ARG A 27 9.428 1.043 3.717 1.00 44.20 C ATOM 434 C ARG A 27 8.184 1.884 4.130 1.00 31.13 C ATOM 435 O ARG A 27 8.150 3.096 3.932 1.00 10.25 O ATOM 436 CB ARG A 27 9.178 0.448 2.303 1.00 64.11 C ATOM 437 CG ARG A 27 10.250 -0.535 1.772 1.00 4.43 C ATOM 438 CD ARG A 27 9.845 -1.109 0.396 1.00 53.45 C ATOM 439 NE ARG A 27 10.721 -2.183 -0.098 1.00 60.45 N ATOM 440 CZ ARG A 27 10.510 -2.868 -1.213 1.00 73.43 C ATOM 441 NH1 ARG A 27 9.506 -2.594 -1.994 1.00 74.33 N ATOM 442 NH2 ARG A 27 11.315 -3.826 -1.540 1.00 45.21 N ATOM 0 H ARG A 27 9.549 -0.975 4.310 1.00 2.21 H new ATOM 0 HA ARG A 27 10.306 1.689 3.702 1.00 44.20 H new ATOM 0 HB2 ARG A 27 8.217 -0.067 2.314 1.00 64.11 H new ATOM 0 HB3 ARG A 27 9.090 1.273 1.596 1.00 64.11 H new ATOM 0 HG2 ARG A 27 11.208 -0.022 1.688 1.00 4.43 H new ATOM 0 HG3 ARG A 27 10.386 -1.349 2.484 1.00 4.43 H new ATOM 0 HD2 ARG A 27 8.826 -1.490 0.461 1.00 53.45 H new ATOM 0 HD3 ARG A 27 9.837 -0.299 -0.334 1.00 53.45 H new ATOM 0 HE ARG A 27 11.546 -2.416 0.455 1.00 60.45 H new ATOM 0 HH11 ARG A 27 8.863 -1.840 -1.753 1.00 74.33 H new ATOM 0 HH12 ARG A 27 9.362 -3.134 -2.848 1.00 74.33 H new ATOM 0 HH21 ARG A 27 12.109 -4.052 -0.941 1.00 45.21 H new ATOM 0 HH22 ARG A 27 11.156 -4.355 -2.397 1.00 45.21 H new ATOM 456 N ALA A 28 7.182 1.203 4.722 1.00 41.40 N ATOM 457 CA ALA A 28 5.861 1.784 5.047 1.00 2.32 C ATOM 458 C ALA A 28 5.948 2.844 6.155 1.00 15.24 C ATOM 459 O ALA A 28 5.353 3.909 6.041 1.00 4.24 O ATOM 460 CB ALA A 28 4.865 0.673 5.437 1.00 24.50 C ATOM 0 H ALA A 28 7.267 0.223 4.991 1.00 41.40 H new ATOM 0 HA ALA A 28 5.500 2.287 4.150 1.00 2.32 H new ATOM 0 HB1 ALA A 28 3.898 1.118 5.673 1.00 24.50 H new ATOM 0 HB2 ALA A 28 4.751 -0.022 4.605 1.00 24.50 H new ATOM 0 HB3 ALA A 28 5.241 0.137 6.309 1.00 24.50 H new ATOM 466 N LYS A 29 6.705 2.542 7.220 1.00 3.12 N ATOM 467 CA LYS A 29 6.872 3.465 8.373 1.00 73.13 C ATOM 468 C LYS A 29 7.812 4.640 8.008 1.00 70.41 C ATOM 469 O LYS A 29 7.745 5.710 8.620 1.00 14.34 O ATOM 470 CB LYS A 29 7.396 2.696 9.616 1.00 32.34 C ATOM 471 CG LYS A 29 6.682 1.353 9.882 1.00 43.14 C ATOM 472 CD LYS A 29 5.140 1.471 10.020 1.00 43.22 C ATOM 473 CE LYS A 29 4.438 0.104 9.885 1.00 52.05 C ATOM 474 NZ LYS A 29 4.945 -0.899 10.862 1.00 3.43 N ATOM 0 H LYS A 29 7.217 1.665 7.315 1.00 3.12 H new ATOM 0 HA LYS A 29 5.897 3.884 8.620 1.00 73.13 H new ATOM 0 HB2 LYS A 29 8.462 2.508 9.489 1.00 32.34 H new ATOM 0 HB3 LYS A 29 7.287 3.332 10.494 1.00 32.34 H new ATOM 0 HG2 LYS A 29 6.912 0.665 9.069 1.00 43.14 H new ATOM 0 HG3 LYS A 29 7.085 0.914 10.795 1.00 43.14 H new ATOM 0 HD2 LYS A 29 4.896 1.909 10.988 1.00 43.22 H new ATOM 0 HD3 LYS A 29 4.759 2.150 9.257 1.00 43.22 H new ATOM 0 HE2 LYS A 29 3.365 0.235 10.028 1.00 52.05 H new ATOM 0 HE3 LYS A 29 4.581 -0.275 8.873 1.00 52.05 H new ATOM 0 HZ1 LYS A 29 4.453 -1.804 10.718 1.00 3.43 H new ATOM 0 HZ2 LYS A 29 5.967 -1.034 10.722 1.00 3.43 H new ATOM 0 HZ3 LYS A 29 4.770 -0.560 11.830 1.00 3.43 H new ATOM 488 N ALA A 30 8.688 4.408 7.013 1.00 73.51 N ATOM 489 CA ALA A 30 9.563 5.450 6.434 1.00 43.13 C ATOM 490 C ALA A 30 8.754 6.453 5.567 1.00 41.44 C ATOM 491 O ALA A 30 9.009 7.662 5.588 1.00 43.31 O ATOM 492 CB ALA A 30 10.673 4.789 5.600 1.00 41.11 C ATOM 0 H ALA A 30 8.811 3.490 6.585 1.00 73.51 H new ATOM 0 HA ALA A 30 10.013 6.013 7.251 1.00 43.13 H new ATOM 0 HB1 ALA A 30 11.316 5.559 5.175 1.00 41.11 H new ATOM 0 HB2 ALA A 30 11.266 4.133 6.238 1.00 41.11 H new ATOM 0 HB3 ALA A 30 10.225 4.205 4.796 1.00 41.11 H new ATOM 498 N LEU A 31 7.775 5.927 4.799 1.00 21.40 N ATOM 499 CA LEU A 31 6.904 6.739 3.908 1.00 64.53 C ATOM 500 C LEU A 31 5.592 7.194 4.604 1.00 65.22 C ATOM 501 O LEU A 31 4.861 8.016 4.048 1.00 30.15 O ATOM 502 CB LEU A 31 6.584 5.941 2.612 1.00 1.50 C ATOM 503 CG LEU A 31 7.812 5.614 1.698 1.00 1.11 C ATOM 504 CD1 LEU A 31 7.400 4.765 0.479 1.00 21.23 C ATOM 505 CD2 LEU A 31 8.535 6.902 1.241 1.00 23.41 C ATOM 0 H LEU A 31 7.563 4.930 4.776 1.00 21.40 H new ATOM 0 HA LEU A 31 7.454 7.645 3.655 1.00 64.53 H new ATOM 0 HB2 LEU A 31 6.103 5.004 2.893 1.00 1.50 H new ATOM 0 HB3 LEU A 31 5.859 6.508 2.027 1.00 1.50 H new ATOM 0 HG LEU A 31 8.509 5.028 2.297 1.00 1.11 H new ATOM 0 HD11 LEU A 31 8.278 4.557 -0.133 1.00 21.23 H new ATOM 0 HD12 LEU A 31 6.965 3.826 0.820 1.00 21.23 H new ATOM 0 HD13 LEU A 31 6.666 5.311 -0.113 1.00 21.23 H new ATOM 0 HD21 LEU A 31 9.382 6.639 0.608 1.00 23.41 H new ATOM 0 HD22 LEU A 31 7.842 7.528 0.678 1.00 23.41 H new ATOM 0 HD23 LEU A 31 8.890 7.449 2.114 1.00 23.41 H new ATOM 517 N HIS A 32 5.321 6.650 5.810 1.00 33.32 N ATOM 518 CA HIS A 32 4.117 6.959 6.628 1.00 11.33 C ATOM 519 C HIS A 32 2.795 6.487 5.941 1.00 30.42 C ATOM 520 O HIS A 32 1.900 7.288 5.653 1.00 75.40 O ATOM 521 CB HIS A 32 4.079 8.472 7.024 1.00 74.53 C ATOM 522 CG HIS A 32 2.998 8.838 8.018 1.00 30.43 C ATOM 523 ND1 HIS A 32 1.762 9.320 7.636 1.00 22.33 N ATOM 524 CD2 HIS A 32 2.972 8.793 9.372 1.00 32.20 C ATOM 525 CE1 HIS A 32 1.031 9.551 8.702 1.00 31.14 C ATOM 526 NE2 HIS A 32 1.739 9.240 9.764 1.00 3.04 N ATOM 0 H HIS A 32 5.940 5.972 6.254 1.00 33.32 H new ATOM 0 HA HIS A 32 4.194 6.385 7.552 1.00 11.33 H new ATOM 0 HB2 HIS A 32 5.047 8.749 7.442 1.00 74.53 H new ATOM 0 HB3 HIS A 32 3.940 9.067 6.121 1.00 74.53 H new ATOM 0 HD2 HIS A 32 3.772 8.466 10.019 1.00 32.20 H new ATOM 0 HE1 HIS A 32 0.020 9.932 8.705 1.00 31.14 H new ATOM 0 HE2 HIS A 32 1.420 9.319 10.730 1.00 3.04 H new ATOM 535 N ILE A 33 2.697 5.175 5.655 1.00 31.53 N ATOM 536 CA ILE A 33 1.470 4.560 5.089 1.00 21.30 C ATOM 537 C ILE A 33 0.372 4.419 6.196 1.00 62.11 C ATOM 538 O ILE A 33 0.645 3.853 7.258 1.00 61.25 O ATOM 539 CB ILE A 33 1.782 3.144 4.454 1.00 52.15 C ATOM 540 CG1 ILE A 33 2.882 3.255 3.348 1.00 23.54 C ATOM 541 CG2 ILE A 33 0.506 2.467 3.884 1.00 31.42 C ATOM 542 CD1 ILE A 33 2.478 4.036 2.107 1.00 43.21 C ATOM 0 H ILE A 33 3.457 4.512 5.806 1.00 31.53 H new ATOM 0 HA ILE A 33 1.100 5.215 4.300 1.00 21.30 H new ATOM 0 HB ILE A 33 2.159 2.512 5.258 1.00 52.15 H new ATOM 0 HG12 ILE A 33 3.764 3.725 3.782 1.00 23.54 H new ATOM 0 HG13 ILE A 33 3.173 2.249 3.046 1.00 23.54 H new ATOM 0 HG21 ILE A 33 0.767 1.498 3.458 1.00 31.42 H new ATOM 0 HG22 ILE A 33 -0.220 2.328 4.685 1.00 31.42 H new ATOM 0 HG23 ILE A 33 0.074 3.099 3.108 1.00 31.42 H new ATOM 0 HD11 ILE A 33 3.309 4.055 1.402 1.00 43.21 H new ATOM 0 HD12 ILE A 33 1.617 3.557 1.640 1.00 43.21 H new ATOM 0 HD13 ILE A 33 2.218 5.056 2.388 1.00 43.21 H new ATOM 554 N PRO A 34 -0.883 4.945 5.970 1.00 60.10 N ATOM 555 CA PRO A 34 -2.011 4.833 6.950 1.00 72.35 C ATOM 556 C PRO A 34 -2.583 3.389 7.111 1.00 43.33 C ATOM 557 O PRO A 34 -3.470 3.154 7.941 1.00 43.33 O ATOM 558 CB PRO A 34 -3.090 5.810 6.375 1.00 12.02 C ATOM 559 CG PRO A 34 -2.369 6.629 5.338 1.00 0.52 C ATOM 560 CD PRO A 34 -1.300 5.726 4.780 1.00 52.32 C ATOM 0 HA PRO A 34 -1.678 5.081 7.958 1.00 72.35 H new ATOM 0 HB2 PRO A 34 -3.923 5.262 5.934 1.00 12.02 H new ATOM 0 HB3 PRO A 34 -3.505 6.444 7.159 1.00 12.02 H new ATOM 0 HG2 PRO A 34 -3.052 6.959 4.555 1.00 0.52 H new ATOM 0 HG3 PRO A 34 -1.934 7.525 5.780 1.00 0.52 H new ATOM 0 HD2 PRO A 34 -1.685 5.084 3.988 1.00 52.32 H new ATOM 0 HD3 PRO A 34 -0.471 6.293 4.356 1.00 52.32 H new ATOM 568 N PHE A 35 -2.071 2.439 6.307 1.00 31.55 N ATOM 569 CA PHE A 35 -2.490 1.014 6.313 1.00 42.22 C ATOM 570 C PHE A 35 -1.316 0.098 6.750 1.00 13.41 C ATOM 571 O PHE A 35 -0.148 0.499 6.664 1.00 44.32 O ATOM 572 CB PHE A 35 -2.935 0.581 4.888 1.00 45.30 C ATOM 573 CG PHE A 35 -4.144 1.314 4.313 1.00 51.32 C ATOM 574 CD1 PHE A 35 -4.031 2.625 3.858 1.00 72.12 C ATOM 575 CD2 PHE A 35 -5.384 0.685 4.206 1.00 43.44 C ATOM 576 CE1 PHE A 35 -5.116 3.284 3.326 1.00 30.10 C ATOM 577 CE2 PHE A 35 -6.470 1.348 3.671 1.00 22.43 C ATOM 578 CZ PHE A 35 -6.335 2.650 3.229 1.00 13.11 C ATOM 0 H PHE A 35 -1.342 2.637 5.622 1.00 31.55 H new ATOM 0 HA PHE A 35 -3.317 0.914 7.016 1.00 42.22 H new ATOM 0 HB2 PHE A 35 -2.094 0.720 4.209 1.00 45.30 H new ATOM 0 HB3 PHE A 35 -3.157 -0.486 4.907 1.00 45.30 H new ATOM 0 HD1 PHE A 35 -3.079 3.132 3.923 1.00 72.12 H new ATOM 0 HD2 PHE A 35 -5.496 -0.334 4.546 1.00 43.44 H new ATOM 0 HE1 PHE A 35 -5.011 4.303 2.983 1.00 30.10 H new ATOM 0 HE2 PHE A 35 -7.425 0.849 3.598 1.00 22.43 H new ATOM 0 HZ PHE A 35 -7.183 3.169 2.808 1.00 13.11 H new ATOM 588 N PRO A 36 -1.603 -1.156 7.233 1.00 52.43 N ATOM 589 CA PRO A 36 -0.576 -2.219 7.306 1.00 75.31 C ATOM 590 C PRO A 36 -0.353 -2.887 5.916 1.00 2.41 C ATOM 591 O PRO A 36 -1.307 -3.061 5.133 1.00 50.05 O ATOM 592 CB PRO A 36 -1.173 -3.211 8.334 1.00 21.15 C ATOM 593 CG PRO A 36 -2.656 -3.066 8.180 1.00 32.45 C ATOM 594 CD PRO A 36 -2.906 -1.616 7.794 1.00 32.03 C ATOM 0 HA PRO A 36 0.407 -1.850 7.597 1.00 75.31 H new ATOM 0 HB2 PRO A 36 -0.851 -4.233 8.132 1.00 21.15 H new ATOM 0 HB3 PRO A 36 -0.854 -2.971 9.348 1.00 21.15 H new ATOM 0 HG2 PRO A 36 -3.035 -3.743 7.415 1.00 32.45 H new ATOM 0 HG3 PRO A 36 -3.169 -3.315 9.109 1.00 32.45 H new ATOM 0 HD2 PRO A 36 -3.707 -1.532 7.060 1.00 32.03 H new ATOM 0 HD3 PRO A 36 -3.201 -1.019 8.657 1.00 32.03 H new ATOM 602 N VAL A 37 0.909 -3.251 5.618 1.00 4.32 N ATOM 603 CA VAL A 37 1.291 -3.960 4.366 1.00 74.24 C ATOM 604 C VAL A 37 0.505 -5.285 4.190 1.00 64.54 C ATOM 605 O VAL A 37 0.129 -5.644 3.067 1.00 61.25 O ATOM 606 CB VAL A 37 2.843 -4.229 4.346 1.00 20.24 C ATOM 607 CG1 VAL A 37 3.291 -5.132 3.165 1.00 22.54 C ATOM 608 CG2 VAL A 37 3.607 -2.886 4.329 1.00 4.34 C ATOM 0 H VAL A 37 1.699 -3.065 6.235 1.00 4.32 H new ATOM 0 HA VAL A 37 1.031 -3.315 3.527 1.00 74.24 H new ATOM 0 HB VAL A 37 3.085 -4.778 5.256 1.00 20.24 H new ATOM 0 HG11 VAL A 37 4.370 -5.279 3.208 1.00 22.54 H new ATOM 0 HG12 VAL A 37 2.790 -6.098 3.235 1.00 22.54 H new ATOM 0 HG13 VAL A 37 3.027 -4.654 2.221 1.00 22.54 H new ATOM 0 HG21 VAL A 37 4.680 -3.078 4.315 1.00 4.34 H new ATOM 0 HG22 VAL A 37 3.328 -2.320 3.440 1.00 4.34 H new ATOM 0 HG23 VAL A 37 3.353 -2.311 5.220 1.00 4.34 H new ATOM 618 N GLU A 38 0.246 -5.973 5.325 1.00 23.45 N ATOM 619 CA GLU A 38 -0.568 -7.212 5.373 1.00 13.21 C ATOM 620 C GLU A 38 -1.928 -7.030 4.651 1.00 54.22 C ATOM 621 O GLU A 38 -2.274 -7.810 3.765 1.00 35.03 O ATOM 622 CB GLU A 38 -0.802 -7.629 6.855 1.00 52.21 C ATOM 623 CG GLU A 38 -1.558 -8.971 7.063 1.00 40.31 C ATOM 624 CD GLU A 38 -0.793 -10.200 6.536 1.00 74.24 C ATOM 625 OE1 GLU A 38 0.301 -10.495 7.072 1.00 35.24 O ATOM 626 OE2 GLU A 38 -1.277 -10.885 5.600 1.00 31.15 O ATOM 0 H GLU A 38 0.597 -5.684 6.238 1.00 23.45 H new ATOM 0 HA GLU A 38 -0.019 -7.997 4.853 1.00 13.21 H new ATOM 0 HB2 GLU A 38 0.166 -7.697 7.352 1.00 52.21 H new ATOM 0 HB3 GLU A 38 -1.361 -6.837 7.353 1.00 52.21 H new ATOM 0 HG2 GLU A 38 -1.756 -9.106 8.126 1.00 40.31 H new ATOM 0 HG3 GLU A 38 -2.525 -8.914 6.564 1.00 40.31 H new ATOM 633 N LYS A 39 -2.666 -5.962 5.017 1.00 0.20 N ATOM 634 CA LYS A 39 -3.983 -5.672 4.416 1.00 33.32 C ATOM 635 C LYS A 39 -3.888 -5.295 2.922 1.00 60.40 C ATOM 636 O LYS A 39 -4.671 -5.793 2.141 1.00 63.32 O ATOM 637 CB LYS A 39 -4.759 -4.581 5.208 1.00 24.52 C ATOM 638 CG LYS A 39 -5.447 -5.104 6.493 1.00 31.11 C ATOM 639 CD LYS A 39 -6.512 -4.128 7.045 1.00 31.34 C ATOM 640 CE LYS A 39 -7.361 -4.768 8.151 1.00 4.31 C ATOM 641 NZ LYS A 39 -8.483 -3.900 8.585 1.00 15.41 N ATOM 0 H LYS A 39 -2.373 -5.288 5.724 1.00 0.20 H new ATOM 0 HA LYS A 39 -4.548 -6.602 4.480 1.00 33.32 H new ATOM 0 HB2 LYS A 39 -4.068 -3.782 5.478 1.00 24.52 H new ATOM 0 HB3 LYS A 39 -5.515 -4.142 4.556 1.00 24.52 H new ATOM 0 HG2 LYS A 39 -5.916 -6.065 6.282 1.00 31.11 H new ATOM 0 HG3 LYS A 39 -4.691 -5.280 7.258 1.00 31.11 H new ATOM 0 HD2 LYS A 39 -6.020 -3.237 7.436 1.00 31.34 H new ATOM 0 HD3 LYS A 39 -7.161 -3.803 6.232 1.00 31.34 H new ATOM 0 HE2 LYS A 39 -7.759 -5.718 7.794 1.00 4.31 H new ATOM 0 HE3 LYS A 39 -6.726 -4.990 9.009 1.00 4.31 H new ATOM 0 HZ1 LYS A 39 -9.024 -4.380 9.333 1.00 15.41 H new ATOM 0 HZ2 LYS A 39 -8.106 -3.003 8.952 1.00 15.41 H new ATOM 0 HZ3 LYS A 39 -9.107 -3.708 7.775 1.00 15.41 H new ATOM 655 N ILE A 40 -2.919 -4.443 2.527 1.00 11.43 N ATOM 656 CA ILE A 40 -2.807 -3.966 1.111 1.00 12.01 C ATOM 657 C ILE A 40 -2.539 -5.148 0.119 1.00 41.54 C ATOM 658 O ILE A 40 -2.939 -5.091 -1.053 1.00 13.03 O ATOM 659 CB ILE A 40 -1.716 -2.830 0.959 1.00 50.13 C ATOM 660 CG1 ILE A 40 -2.016 -1.648 1.941 1.00 73.15 C ATOM 661 CG2 ILE A 40 -1.623 -2.307 -0.504 1.00 2.30 C ATOM 662 CD1 ILE A 40 -1.036 -0.478 1.887 1.00 25.14 C ATOM 0 H ILE A 40 -2.205 -4.068 3.152 1.00 11.43 H new ATOM 0 HA ILE A 40 -3.771 -3.531 0.847 1.00 12.01 H new ATOM 0 HB ILE A 40 -0.751 -3.268 1.214 1.00 50.13 H new ATOM 0 HG12 ILE A 40 -3.017 -1.270 1.731 1.00 73.15 H new ATOM 0 HG13 ILE A 40 -2.030 -2.040 2.958 1.00 73.15 H new ATOM 0 HG21 ILE A 40 -0.863 -1.528 -0.564 1.00 2.30 H new ATOM 0 HG22 ILE A 40 -1.355 -3.129 -1.168 1.00 2.30 H new ATOM 0 HG23 ILE A 40 -2.587 -1.897 -0.806 1.00 2.30 H new ATOM 0 HD11 ILE A 40 -1.338 0.283 2.607 1.00 25.14 H new ATOM 0 HD12 ILE A 40 -0.034 -0.831 2.131 1.00 25.14 H new ATOM 0 HD13 ILE A 40 -1.036 -0.050 0.885 1.00 25.14 H new ATOM 674 N ILE A 41 -1.868 -6.216 0.605 1.00 62.22 N ATOM 675 CA ILE A 41 -1.699 -7.479 -0.165 1.00 64.14 C ATOM 676 C ILE A 41 -3.057 -8.234 -0.311 1.00 53.45 C ATOM 677 O ILE A 41 -3.419 -8.688 -1.406 1.00 3.30 O ATOM 678 CB ILE A 41 -0.633 -8.437 0.517 1.00 23.45 C ATOM 679 CG1 ILE A 41 0.770 -7.748 0.583 1.00 74.35 C ATOM 680 CG2 ILE A 41 -0.535 -9.806 -0.215 1.00 74.24 C ATOM 681 CD1 ILE A 41 1.862 -8.546 1.291 1.00 63.24 C ATOM 0 H ILE A 41 -1.433 -6.233 1.527 1.00 62.22 H new ATOM 0 HA ILE A 41 -1.337 -7.202 -1.155 1.00 64.14 H new ATOM 0 HB ILE A 41 -0.974 -8.631 1.534 1.00 23.45 H new ATOM 0 HG12 ILE A 41 1.100 -7.537 -0.434 1.00 74.35 H new ATOM 0 HG13 ILE A 41 0.661 -6.788 1.088 1.00 74.35 H new ATOM 0 HG21 ILE A 41 0.205 -10.432 0.283 1.00 74.24 H new ATOM 0 HG22 ILE A 41 -1.505 -10.302 -0.191 1.00 74.24 H new ATOM 0 HG23 ILE A 41 -0.236 -9.644 -1.251 1.00 74.24 H new ATOM 0 HD11 ILE A 41 2.792 -7.978 1.280 1.00 63.24 H new ATOM 0 HD12 ILE A 41 1.564 -8.735 2.322 1.00 63.24 H new ATOM 0 HD13 ILE A 41 2.010 -9.495 0.777 1.00 63.24 H new ATOM 693 N ASN A 42 -3.799 -8.349 0.813 1.00 44.20 N ATOM 694 CA ASN A 42 -5.057 -9.149 0.885 1.00 33.43 C ATOM 695 C ASN A 42 -6.340 -8.320 0.595 1.00 53.23 C ATOM 696 O ASN A 42 -7.451 -8.862 0.627 1.00 21.15 O ATOM 697 CB ASN A 42 -5.161 -9.840 2.267 1.00 11.42 C ATOM 698 CG ASN A 42 -4.064 -10.891 2.497 1.00 41.32 C ATOM 699 OD1 ASN A 42 -4.197 -12.049 2.105 1.00 31.31 O ATOM 700 ND2 ASN A 42 -3.001 -10.520 3.174 1.00 12.13 N ATOM 0 H ASN A 42 -3.551 -7.896 1.693 1.00 44.20 H new ATOM 0 HA ASN A 42 -4.998 -9.897 0.095 1.00 33.43 H new ATOM 0 HB2 ASN A 42 -5.102 -9.084 3.050 1.00 11.42 H new ATOM 0 HB3 ASN A 42 -6.137 -10.316 2.356 1.00 11.42 H new ATOM 0 HD21 ASN A 42 -2.268 -11.197 3.383 1.00 12.13 H new ATOM 0 HD22 ASN A 42 -2.909 -9.555 3.490 1.00 12.13 H new ATOM 707 N LEU A 43 -6.197 -7.017 0.313 1.00 62.23 N ATOM 708 CA LEU A 43 -7.316 -6.166 -0.147 1.00 43.45 C ATOM 709 C LEU A 43 -7.391 -6.226 -1.685 1.00 42.11 C ATOM 710 O LEU A 43 -6.397 -5.915 -2.354 1.00 32.43 O ATOM 711 CB LEU A 43 -7.163 -4.686 0.344 1.00 62.41 C ATOM 712 CG LEU A 43 -7.550 -4.420 1.837 1.00 71.44 C ATOM 713 CD1 LEU A 43 -7.226 -2.968 2.272 1.00 34.04 C ATOM 714 CD2 LEU A 43 -9.041 -4.752 2.092 1.00 11.45 C ATOM 0 H LEU A 43 -5.310 -6.521 0.395 1.00 62.23 H new ATOM 0 HA LEU A 43 -8.243 -6.546 0.283 1.00 43.45 H new ATOM 0 HB2 LEU A 43 -6.127 -4.380 0.197 1.00 62.41 H new ATOM 0 HB3 LEU A 43 -7.778 -4.047 -0.290 1.00 62.41 H new ATOM 0 HG LEU A 43 -6.941 -5.085 2.449 1.00 71.44 H new ATOM 0 HD11 LEU A 43 -7.511 -2.828 3.315 1.00 34.04 H new ATOM 0 HD12 LEU A 43 -6.157 -2.785 2.160 1.00 34.04 H new ATOM 0 HD13 LEU A 43 -7.781 -2.268 1.647 1.00 34.04 H new ATOM 0 HD21 LEU A 43 -9.283 -4.558 3.137 1.00 11.45 H new ATOM 0 HD22 LEU A 43 -9.667 -4.129 1.453 1.00 11.45 H new ATOM 0 HD23 LEU A 43 -9.224 -5.803 1.866 1.00 11.45 H new ATOM 726 N PRO A 44 -8.564 -6.641 -2.276 1.00 21.25 N ATOM 727 CA PRO A 44 -8.731 -6.709 -3.746 1.00 4.22 C ATOM 728 C PRO A 44 -8.429 -5.348 -4.417 1.00 12.13 C ATOM 729 O PRO A 44 -8.902 -4.311 -3.943 1.00 44.51 O ATOM 730 CB PRO A 44 -10.219 -7.115 -3.931 1.00 20.23 C ATOM 731 CG PRO A 44 -10.583 -7.795 -2.642 1.00 61.10 C ATOM 732 CD PRO A 44 -9.802 -7.069 -1.569 1.00 60.25 C ATOM 0 HA PRO A 44 -8.042 -7.413 -4.212 1.00 4.22 H new ATOM 0 HB2 PRO A 44 -10.849 -6.244 -4.113 1.00 20.23 H new ATOM 0 HB3 PRO A 44 -10.346 -7.783 -4.783 1.00 20.23 H new ATOM 0 HG2 PRO A 44 -11.655 -7.735 -2.456 1.00 61.10 H new ATOM 0 HG3 PRO A 44 -10.323 -8.853 -2.669 1.00 61.10 H new ATOM 0 HD2 PRO A 44 -10.356 -6.216 -1.176 1.00 60.25 H new ATOM 0 HD3 PRO A 44 -9.578 -7.720 -0.724 1.00 60.25 H new ATOM 740 N VAL A 45 -7.627 -5.371 -5.497 1.00 11.44 N ATOM 741 CA VAL A 45 -7.186 -4.153 -6.227 1.00 41.04 C ATOM 742 C VAL A 45 -8.383 -3.243 -6.634 1.00 62.12 C ATOM 743 O VAL A 45 -8.258 -2.016 -6.646 1.00 0.31 O ATOM 744 CB VAL A 45 -6.309 -4.558 -7.479 1.00 4.11 C ATOM 745 CG1 VAL A 45 -5.936 -3.347 -8.363 1.00 42.20 C ATOM 746 CG2 VAL A 45 -5.032 -5.317 -7.027 1.00 63.10 C ATOM 0 H VAL A 45 -7.261 -6.236 -5.895 1.00 11.44 H new ATOM 0 HA VAL A 45 -6.571 -3.561 -5.549 1.00 41.04 H new ATOM 0 HB VAL A 45 -6.921 -5.220 -8.092 1.00 4.11 H new ATOM 0 HG11 VAL A 45 -5.334 -3.684 -9.207 1.00 42.20 H new ATOM 0 HG12 VAL A 45 -6.845 -2.872 -8.732 1.00 42.20 H new ATOM 0 HG13 VAL A 45 -5.365 -2.629 -7.774 1.00 42.20 H new ATOM 0 HG21 VAL A 45 -4.441 -5.588 -7.902 1.00 63.10 H new ATOM 0 HG22 VAL A 45 -4.440 -4.676 -6.373 1.00 63.10 H new ATOM 0 HG23 VAL A 45 -5.317 -6.221 -6.488 1.00 63.10 H new ATOM 756 N VAL A 46 -9.549 -3.862 -6.899 1.00 25.34 N ATOM 757 CA VAL A 46 -10.806 -3.127 -7.186 1.00 12.33 C ATOM 758 C VAL A 46 -11.252 -2.276 -5.960 1.00 23.42 C ATOM 759 O VAL A 46 -11.475 -1.069 -6.078 1.00 22.54 O ATOM 760 CB VAL A 46 -11.975 -4.108 -7.581 1.00 33.32 C ATOM 761 CG1 VAL A 46 -13.237 -3.329 -8.030 1.00 21.02 C ATOM 762 CG2 VAL A 46 -11.526 -5.114 -8.668 1.00 4.31 C ATOM 0 H VAL A 46 -9.651 -4.877 -6.921 1.00 25.34 H new ATOM 0 HA VAL A 46 -10.597 -2.468 -8.028 1.00 12.33 H new ATOM 0 HB VAL A 46 -12.236 -4.679 -6.690 1.00 33.32 H new ATOM 0 HG11 VAL A 46 -14.025 -4.034 -8.296 1.00 21.02 H new ATOM 0 HG12 VAL A 46 -13.580 -2.692 -7.215 1.00 21.02 H new ATOM 0 HG13 VAL A 46 -12.995 -2.712 -8.896 1.00 21.02 H new ATOM 0 HG21 VAL A 46 -12.356 -5.775 -8.917 1.00 4.31 H new ATOM 0 HG22 VAL A 46 -11.215 -4.571 -9.560 1.00 4.31 H new ATOM 0 HG23 VAL A 46 -10.691 -5.706 -8.294 1.00 4.31 H new ATOM 772 N ASP A 47 -11.345 -2.935 -4.783 1.00 70.31 N ATOM 773 CA ASP A 47 -11.783 -2.303 -3.515 1.00 24.43 C ATOM 774 C ASP A 47 -10.774 -1.234 -3.028 1.00 4.11 C ATOM 775 O ASP A 47 -11.170 -0.179 -2.517 1.00 32.12 O ATOM 776 CB ASP A 47 -11.969 -3.396 -2.424 1.00 63.34 C ATOM 777 CG ASP A 47 -13.099 -4.388 -2.745 1.00 51.44 C ATOM 778 OD1 ASP A 47 -12.978 -5.136 -3.739 1.00 14.21 O ATOM 779 OD2 ASP A 47 -14.127 -4.403 -2.032 1.00 63.24 O ATOM 0 H ASP A 47 -11.118 -3.924 -4.684 1.00 70.31 H new ATOM 0 HA ASP A 47 -12.732 -1.800 -3.699 1.00 24.43 H new ATOM 0 HB2 ASP A 47 -11.035 -3.945 -2.307 1.00 63.34 H new ATOM 0 HB3 ASP A 47 -12.178 -2.914 -1.469 1.00 63.34 H new ATOM 784 N PHE A 48 -9.471 -1.524 -3.200 1.00 3.54 N ATOM 785 CA PHE A 48 -8.390 -0.647 -2.722 1.00 32.41 C ATOM 786 C PHE A 48 -8.255 0.621 -3.599 1.00 41.25 C ATOM 787 O PHE A 48 -7.967 1.689 -3.080 1.00 32.23 O ATOM 788 CB PHE A 48 -7.040 -1.419 -2.644 1.00 23.34 C ATOM 789 CG PHE A 48 -5.972 -0.690 -1.811 1.00 22.24 C ATOM 790 CD1 PHE A 48 -6.052 -0.688 -0.417 1.00 73.32 C ATOM 791 CD2 PHE A 48 -4.927 0.018 -2.408 1.00 53.25 C ATOM 792 CE1 PHE A 48 -5.122 -0.015 0.351 1.00 13.54 C ATOM 793 CE2 PHE A 48 -4.000 0.697 -1.633 1.00 13.41 C ATOM 794 CZ PHE A 48 -4.097 0.680 -0.255 1.00 41.45 C ATOM 0 H PHE A 48 -9.141 -2.367 -3.671 1.00 3.54 H new ATOM 0 HA PHE A 48 -8.653 -0.321 -1.716 1.00 32.41 H new ATOM 0 HB2 PHE A 48 -7.217 -2.405 -2.213 1.00 23.34 H new ATOM 0 HB3 PHE A 48 -6.660 -1.576 -3.653 1.00 23.34 H new ATOM 0 HD1 PHE A 48 -6.855 -1.222 0.069 1.00 73.32 H new ATOM 0 HD2 PHE A 48 -4.840 0.037 -3.484 1.00 53.25 H new ATOM 0 HE1 PHE A 48 -5.198 -0.033 1.428 1.00 13.54 H new ATOM 0 HE2 PHE A 48 -3.198 1.242 -2.109 1.00 13.41 H new ATOM 0 HZ PHE A 48 -3.372 1.209 0.346 1.00 41.45 H new ATOM 804 N ASN A 49 -8.448 0.488 -4.931 1.00 31.31 N ATOM 805 CA ASN A 49 -8.443 1.653 -5.862 1.00 55.24 C ATOM 806 C ASN A 49 -9.741 2.495 -5.748 1.00 63.12 C ATOM 807 O ASN A 49 -9.710 3.716 -5.950 1.00 52.01 O ATOM 808 CB ASN A 49 -8.210 1.209 -7.331 1.00 21.30 C ATOM 809 CG ASN A 49 -6.809 0.626 -7.601 1.00 11.54 C ATOM 810 OD1 ASN A 49 -6.633 -0.201 -8.487 1.00 13.33 O ATOM 811 ND2 ASN A 49 -5.797 1.059 -6.860 1.00 52.25 N ATOM 0 H ASN A 49 -8.609 -0.409 -5.390 1.00 31.31 H new ATOM 0 HA ASN A 49 -7.609 2.287 -5.561 1.00 55.24 H new ATOM 0 HB2 ASN A 49 -8.959 0.463 -7.596 1.00 21.30 H new ATOM 0 HB3 ASN A 49 -8.367 2.065 -7.987 1.00 21.30 H new ATOM 0 HD21 ASN A 49 -4.855 0.703 -7.024 1.00 52.25 H new ATOM 0 HD22 ASN A 49 -5.961 1.748 -6.126 1.00 52.25 H new ATOM 818 N GLU A 50 -10.875 1.830 -5.445 1.00 51.04 N ATOM 819 CA GLU A 50 -12.170 2.508 -5.167 1.00 52.40 C ATOM 820 C GLU A 50 -12.058 3.393 -3.899 1.00 73.13 C ATOM 821 O GLU A 50 -12.610 4.497 -3.834 1.00 52.32 O ATOM 822 CB GLU A 50 -13.294 1.447 -4.998 1.00 70.22 C ATOM 823 CG GLU A 50 -14.713 2.013 -4.757 1.00 71.44 C ATOM 824 CD GLU A 50 -15.254 2.871 -5.919 1.00 22.21 C ATOM 825 OE1 GLU A 50 -15.572 2.299 -6.985 1.00 51.23 O ATOM 826 OE2 GLU A 50 -15.363 4.113 -5.775 1.00 21.43 O ATOM 0 H GLU A 50 -10.925 0.813 -5.385 1.00 51.04 H new ATOM 0 HA GLU A 50 -12.420 3.154 -6.009 1.00 52.40 H new ATOM 0 HB2 GLU A 50 -13.318 0.823 -5.891 1.00 70.22 H new ATOM 0 HB3 GLU A 50 -13.034 0.798 -4.162 1.00 70.22 H new ATOM 0 HG2 GLU A 50 -15.398 1.184 -4.582 1.00 71.44 H new ATOM 0 HG3 GLU A 50 -14.703 2.615 -3.849 1.00 71.44 H new ATOM 833 N MET A 51 -11.315 2.878 -2.911 1.00 31.15 N ATOM 834 CA MET A 51 -10.970 3.604 -1.678 1.00 21.24 C ATOM 835 C MET A 51 -9.976 4.756 -1.987 1.00 71.41 C ATOM 836 O MET A 51 -10.255 5.919 -1.713 1.00 11.21 O ATOM 837 CB MET A 51 -10.352 2.591 -0.674 1.00 64.44 C ATOM 838 CG MET A 51 -10.044 3.133 0.731 1.00 33.32 C ATOM 839 SD MET A 51 -9.313 1.873 1.807 1.00 60.33 S ATOM 840 CE MET A 51 -10.558 0.577 1.778 1.00 45.45 C ATOM 0 H MET A 51 -10.931 1.934 -2.944 1.00 31.15 H new ATOM 0 HA MET A 51 -11.863 4.052 -1.243 1.00 21.24 H new ATOM 0 HB2 MET A 51 -11.035 1.747 -0.574 1.00 64.44 H new ATOM 0 HB3 MET A 51 -9.428 2.204 -1.103 1.00 64.44 H new ATOM 0 HG2 MET A 51 -9.362 3.979 0.650 1.00 33.32 H new ATOM 0 HG3 MET A 51 -10.963 3.506 1.184 1.00 33.32 H new ATOM 0 HE1 MET A 51 -10.391 -0.106 2.611 1.00 45.45 H new ATOM 0 HE2 MET A 51 -11.549 1.022 1.867 1.00 45.45 H new ATOM 0 HE3 MET A 51 -10.490 0.028 0.839 1.00 45.45 H new ATOM 850 N MET A 52 -8.851 4.391 -2.629 1.00 10.24 N ATOM 851 CA MET A 52 -7.705 5.292 -2.936 1.00 4.55 C ATOM 852 C MET A 52 -8.088 6.503 -3.834 1.00 52.01 C ATOM 853 O MET A 52 -7.466 7.567 -3.735 1.00 42.10 O ATOM 854 CB MET A 52 -6.565 4.431 -3.574 1.00 3.51 C ATOM 855 CG MET A 52 -5.399 5.182 -4.240 1.00 61.03 C ATOM 856 SD MET A 52 -5.844 5.826 -5.873 1.00 50.04 S ATOM 857 CE MET A 52 -4.302 6.546 -6.426 1.00 51.35 C ATOM 0 H MET A 52 -8.702 3.438 -2.961 1.00 10.24 H new ATOM 0 HA MET A 52 -7.362 5.742 -2.005 1.00 4.55 H new ATOM 0 HB2 MET A 52 -6.152 3.789 -2.796 1.00 3.51 H new ATOM 0 HB3 MET A 52 -7.015 3.777 -4.321 1.00 3.51 H new ATOM 0 HG2 MET A 52 -5.087 6.006 -3.599 1.00 61.03 H new ATOM 0 HG3 MET A 52 -4.545 4.512 -4.336 1.00 61.03 H new ATOM 0 HE1 MET A 52 -4.454 7.039 -7.386 1.00 51.35 H new ATOM 0 HE2 MET A 52 -3.958 7.276 -5.693 1.00 51.35 H new ATOM 0 HE3 MET A 52 -3.553 5.762 -6.536 1.00 51.35 H new ATOM 867 N SER A 53 -9.119 6.336 -4.691 1.00 43.31 N ATOM 868 CA SER A 53 -9.594 7.406 -5.616 1.00 40.30 C ATOM 869 C SER A 53 -10.051 8.686 -4.862 1.00 32.43 C ATOM 870 O SER A 53 -9.955 9.800 -5.396 1.00 50.41 O ATOM 871 CB SER A 53 -10.737 6.872 -6.509 1.00 43.23 C ATOM 872 OG SER A 53 -11.840 6.438 -5.734 1.00 2.01 O ATOM 0 H SER A 53 -9.646 5.466 -4.766 1.00 43.31 H new ATOM 0 HA SER A 53 -8.747 7.689 -6.241 1.00 40.30 H new ATOM 0 HB2 SER A 53 -11.059 7.654 -7.196 1.00 43.23 H new ATOM 0 HB3 SER A 53 -10.370 6.045 -7.117 1.00 43.23 H new ATOM 0 HG SER A 53 -11.580 5.655 -5.206 1.00 2.01 H new ATOM 878 N LYS A 54 -10.552 8.510 -3.623 1.00 44.52 N ATOM 879 CA LYS A 54 -10.874 9.629 -2.701 1.00 32.04 C ATOM 880 C LYS A 54 -9.802 9.754 -1.594 1.00 1.41 C ATOM 881 O LYS A 54 -9.314 10.855 -1.308 1.00 64.10 O ATOM 882 CB LYS A 54 -12.287 9.432 -2.090 1.00 43.33 C ATOM 883 CG LYS A 54 -13.428 9.539 -3.131 1.00 62.10 C ATOM 884 CD LYS A 54 -14.835 9.399 -2.510 1.00 44.41 C ATOM 885 CE LYS A 54 -15.959 9.658 -3.535 1.00 44.31 C ATOM 886 NZ LYS A 54 -17.312 9.489 -2.935 1.00 73.02 N ATOM 0 H LYS A 54 -10.747 7.590 -3.229 1.00 44.52 H new ATOM 0 HA LYS A 54 -10.874 10.559 -3.270 1.00 32.04 H new ATOM 0 HB2 LYS A 54 -12.334 8.455 -1.610 1.00 43.33 H new ATOM 0 HB3 LYS A 54 -12.445 10.178 -1.311 1.00 43.33 H new ATOM 0 HG2 LYS A 54 -13.357 10.500 -3.640 1.00 62.10 H new ATOM 0 HG3 LYS A 54 -13.294 8.766 -3.888 1.00 62.10 H new ATOM 0 HD2 LYS A 54 -14.948 8.397 -2.096 1.00 44.41 H new ATOM 0 HD3 LYS A 54 -14.935 10.100 -1.681 1.00 44.41 H new ATOM 0 HE2 LYS A 54 -15.862 10.669 -3.932 1.00 44.31 H new ATOM 0 HE3 LYS A 54 -15.847 8.974 -4.376 1.00 44.31 H new ATOM 0 HZ1 LYS A 54 -18.037 9.672 -3.657 1.00 73.02 H new ATOM 0 HZ2 LYS A 54 -17.415 8.517 -2.579 1.00 73.02 H new ATOM 0 HZ3 LYS A 54 -17.429 10.160 -2.149 1.00 73.02 H new ATOM 900 N GLU A 55 -9.447 8.613 -0.979 1.00 44.13 N ATOM 901 CA GLU A 55 -8.384 8.537 0.048 1.00 21.51 C ATOM 902 C GLU A 55 -6.990 8.608 -0.623 1.00 60.11 C ATOM 903 O GLU A 55 -6.368 7.585 -0.929 1.00 41.32 O ATOM 904 CB GLU A 55 -8.547 7.241 0.897 1.00 23.43 C ATOM 905 CG GLU A 55 -9.954 7.043 1.512 1.00 21.13 C ATOM 906 CD GLU A 55 -10.409 8.209 2.413 1.00 24.15 C ATOM 907 OE1 GLU A 55 -10.021 8.240 3.600 1.00 34.13 O ATOM 908 OE2 GLU A 55 -11.162 9.096 1.945 1.00 2.51 O ATOM 0 H GLU A 55 -9.887 7.714 -1.177 1.00 44.13 H new ATOM 0 HA GLU A 55 -8.474 9.388 0.723 1.00 21.51 H new ATOM 0 HB2 GLU A 55 -8.315 6.380 0.269 1.00 23.43 H new ATOM 0 HB3 GLU A 55 -7.812 7.256 1.702 1.00 23.43 H new ATOM 0 HG2 GLU A 55 -10.677 6.915 0.707 1.00 21.13 H new ATOM 0 HG3 GLU A 55 -9.959 6.122 2.095 1.00 21.13 H new ATOM 915 N GLN A 56 -6.544 9.845 -0.892 1.00 35.51 N ATOM 916 CA GLN A 56 -5.306 10.126 -1.661 1.00 72.10 C ATOM 917 C GLN A 56 -4.014 9.855 -0.851 1.00 61.24 C ATOM 918 O GLN A 56 -4.031 9.783 0.382 1.00 32.24 O ATOM 919 CB GLN A 56 -5.361 11.588 -2.217 1.00 74.52 C ATOM 920 CG GLN A 56 -5.741 12.703 -1.200 1.00 33.32 C ATOM 921 CD GLN A 56 -4.589 13.184 -0.305 1.00 1.20 C ATOM 922 OE1 GLN A 56 -3.879 14.129 -0.640 1.00 4.23 O ATOM 923 NE2 GLN A 56 -4.404 12.559 0.838 1.00 75.45 N ATOM 0 H GLN A 56 -7.029 10.687 -0.584 1.00 35.51 H new ATOM 0 HA GLN A 56 -5.263 9.430 -2.499 1.00 72.10 H new ATOM 0 HB2 GLN A 56 -4.386 11.829 -2.639 1.00 74.52 H new ATOM 0 HB3 GLN A 56 -6.079 11.615 -3.037 1.00 74.52 H new ATOM 0 HG2 GLN A 56 -6.135 13.557 -1.751 1.00 33.32 H new ATOM 0 HG3 GLN A 56 -6.546 12.335 -0.564 1.00 33.32 H new ATOM 0 HE21 GLN A 56 -5.006 11.777 1.095 1.00 75.45 H new ATOM 0 HE22 GLN A 56 -3.658 12.857 1.467 1.00 75.45 H new ATOM 932 N PHE A 57 -2.893 9.696 -1.578 1.00 42.12 N ATOM 933 CA PHE A 57 -1.554 9.431 -0.991 1.00 13.11 C ATOM 934 C PHE A 57 -0.477 10.313 -1.676 1.00 71.43 C ATOM 935 O PHE A 57 -0.732 10.928 -2.719 1.00 44.20 O ATOM 936 CB PHE A 57 -1.171 7.928 -1.162 1.00 62.13 C ATOM 937 CG PHE A 57 -2.150 6.929 -0.537 1.00 24.42 C ATOM 938 CD1 PHE A 57 -2.106 6.644 0.827 1.00 54.52 C ATOM 939 CD2 PHE A 57 -3.112 6.276 -1.315 1.00 55.20 C ATOM 940 CE1 PHE A 57 -2.989 5.738 1.389 1.00 41.31 C ATOM 941 CE2 PHE A 57 -3.989 5.374 -0.750 1.00 51.31 C ATOM 942 CZ PHE A 57 -3.928 5.105 0.598 1.00 44.02 C ATOM 0 H PHE A 57 -2.884 9.747 -2.597 1.00 42.12 H new ATOM 0 HA PHE A 57 -1.597 9.674 0.071 1.00 13.11 H new ATOM 0 HB2 PHE A 57 -1.085 7.711 -2.227 1.00 62.13 H new ATOM 0 HB3 PHE A 57 -0.186 7.769 -0.724 1.00 62.13 H new ATOM 0 HD1 PHE A 57 -1.375 7.135 1.452 1.00 54.52 H new ATOM 0 HD2 PHE A 57 -3.169 6.481 -2.374 1.00 55.20 H new ATOM 0 HE1 PHE A 57 -2.944 5.526 2.447 1.00 41.31 H new ATOM 0 HE2 PHE A 57 -4.724 4.878 -1.366 1.00 51.31 H new ATOM 0 HZ PHE A 57 -4.615 4.398 1.038 1.00 44.02 H new ATOM 952 N ASN A 58 0.727 10.357 -1.080 1.00 1.11 N ATOM 953 CA ASN A 58 1.918 10.993 -1.697 1.00 14.23 C ATOM 954 C ASN A 58 2.445 10.140 -2.877 1.00 20.40 C ATOM 955 O ASN A 58 2.203 8.930 -2.933 1.00 41.52 O ATOM 956 CB ASN A 58 3.035 11.185 -0.637 1.00 5.31 C ATOM 957 CG ASN A 58 2.632 12.150 0.480 1.00 44.34 C ATOM 958 OD1 ASN A 58 2.919 13.341 0.427 1.00 33.22 O ATOM 959 ND2 ASN A 58 1.935 11.653 1.486 1.00 53.10 N ATOM 0 H ASN A 58 0.908 9.956 -0.160 1.00 1.11 H new ATOM 0 HA ASN A 58 1.624 11.970 -2.081 1.00 14.23 H new ATOM 0 HB2 ASN A 58 3.287 10.218 -0.202 1.00 5.31 H new ATOM 0 HB3 ASN A 58 3.934 11.558 -1.127 1.00 5.31 H new ATOM 0 HD21 ASN A 58 1.623 12.264 2.241 1.00 53.10 H new ATOM 0 HD22 ASN A 58 1.709 10.659 1.508 1.00 53.10 H new ATOM 966 N GLU A 59 3.186 10.783 -3.799 1.00 1.34 N ATOM 967 CA GLU A 59 3.771 10.117 -4.996 1.00 53.12 C ATOM 968 C GLU A 59 4.673 8.902 -4.628 1.00 23.20 C ATOM 969 O GLU A 59 4.617 7.849 -5.278 1.00 40.55 O ATOM 970 CB GLU A 59 4.563 11.157 -5.844 1.00 53.33 C ATOM 971 CG GLU A 59 5.660 11.930 -5.075 1.00 51.12 C ATOM 972 CD GLU A 59 6.512 12.844 -5.973 1.00 21.12 C ATOM 973 OE1 GLU A 59 6.049 13.957 -6.321 1.00 13.33 O ATOM 974 OE2 GLU A 59 7.649 12.456 -6.331 1.00 21.34 O ATOM 0 H GLU A 59 3.400 11.779 -3.742 1.00 1.34 H new ATOM 0 HA GLU A 59 2.945 9.719 -5.585 1.00 53.12 H new ATOM 0 HB2 GLU A 59 5.026 10.640 -6.685 1.00 53.33 H new ATOM 0 HB3 GLU A 59 3.858 11.876 -6.261 1.00 53.33 H new ATOM 0 HG2 GLU A 59 5.191 12.533 -4.298 1.00 51.12 H new ATOM 0 HG3 GLU A 59 6.313 11.216 -4.574 1.00 51.12 H new ATOM 981 N ALA A 60 5.479 9.063 -3.562 1.00 35.12 N ATOM 982 CA ALA A 60 6.383 8.008 -3.046 1.00 23.54 C ATOM 983 C ALA A 60 5.599 6.830 -2.413 1.00 60.32 C ATOM 984 O ALA A 60 5.990 5.663 -2.553 1.00 41.10 O ATOM 985 CB ALA A 60 7.359 8.619 -2.026 1.00 64.44 C ATOM 0 H ALA A 60 5.525 9.932 -3.029 1.00 35.12 H new ATOM 0 HA ALA A 60 6.943 7.602 -3.888 1.00 23.54 H new ATOM 0 HB1 ALA A 60 8.023 7.842 -1.647 1.00 64.44 H new ATOM 0 HB2 ALA A 60 7.950 9.398 -2.509 1.00 64.44 H new ATOM 0 HB3 ALA A 60 6.797 9.051 -1.198 1.00 64.44 H new ATOM 991 N GLN A 61 4.487 7.161 -1.722 1.00 75.33 N ATOM 992 CA GLN A 61 3.583 6.162 -1.105 1.00 34.10 C ATOM 993 C GLN A 61 2.905 5.277 -2.175 1.00 11.43 C ATOM 994 O GLN A 61 2.806 4.064 -2.010 1.00 10.22 O ATOM 995 CB GLN A 61 2.500 6.868 -0.244 1.00 13.43 C ATOM 996 CG GLN A 61 3.041 7.597 1.002 1.00 41.53 C ATOM 997 CD GLN A 61 1.939 8.234 1.858 1.00 52.00 C ATOM 998 OE1 GLN A 61 0.913 8.671 1.360 1.00 43.50 O ATOM 999 NE2 GLN A 61 2.135 8.286 3.146 1.00 42.31 N ATOM 0 H GLN A 61 4.190 8.126 -1.575 1.00 75.33 H new ATOM 0 HA GLN A 61 4.190 5.521 -0.465 1.00 34.10 H new ATOM 0 HB2 GLN A 61 1.972 7.588 -0.869 1.00 13.43 H new ATOM 0 HB3 GLN A 61 1.768 6.126 0.075 1.00 13.43 H new ATOM 0 HG2 GLN A 61 3.603 6.890 1.613 1.00 41.53 H new ATOM 0 HG3 GLN A 61 3.740 8.372 0.686 1.00 41.53 H new ATOM 0 HE21 GLN A 61 2.998 7.916 3.546 1.00 42.31 H new ATOM 0 HE22 GLN A 61 1.426 8.696 3.754 1.00 42.31 H new ATOM 1008 N LEU A 62 2.455 5.914 -3.270 1.00 54.25 N ATOM 1009 CA LEU A 62 1.809 5.225 -4.409 1.00 21.10 C ATOM 1010 C LEU A 62 2.779 4.259 -5.129 1.00 20.23 C ATOM 1011 O LEU A 62 2.376 3.168 -5.537 1.00 40.32 O ATOM 1012 CB LEU A 62 1.237 6.272 -5.398 1.00 14.44 C ATOM 1013 CG LEU A 62 0.039 7.114 -4.850 1.00 10.42 C ATOM 1014 CD1 LEU A 62 -0.358 8.253 -5.817 1.00 1.40 C ATOM 1015 CD2 LEU A 62 -1.171 6.202 -4.533 1.00 44.04 C ATOM 0 H LEU A 62 2.528 6.924 -3.394 1.00 54.25 H new ATOM 0 HA LEU A 62 0.993 4.618 -4.017 1.00 21.10 H new ATOM 0 HB2 LEU A 62 2.038 6.953 -5.686 1.00 14.44 H new ATOM 0 HB3 LEU A 62 0.915 5.757 -6.303 1.00 14.44 H new ATOM 0 HG LEU A 62 0.366 7.584 -3.923 1.00 10.42 H new ATOM 0 HD11 LEU A 62 -1.194 8.812 -5.397 1.00 1.40 H new ATOM 0 HD12 LEU A 62 0.491 8.922 -5.960 1.00 1.40 H new ATOM 0 HD13 LEU A 62 -0.651 7.829 -6.777 1.00 1.40 H new ATOM 0 HD21 LEU A 62 -1.994 6.808 -4.153 1.00 44.04 H new ATOM 0 HD22 LEU A 62 -1.488 5.689 -5.441 1.00 44.04 H new ATOM 0 HD23 LEU A 62 -0.885 5.466 -3.781 1.00 44.04 H new ATOM 1027 N ALA A 63 4.057 4.673 -5.253 1.00 51.24 N ATOM 1028 CA ALA A 63 5.131 3.825 -5.830 1.00 53.31 C ATOM 1029 C ALA A 63 5.351 2.529 -5.000 1.00 11.43 C ATOM 1030 O ALA A 63 5.601 1.451 -5.558 1.00 61.42 O ATOM 1031 CB ALA A 63 6.436 4.634 -5.947 1.00 74.14 C ATOM 0 H ALA A 63 4.376 5.596 -4.960 1.00 51.24 H new ATOM 0 HA ALA A 63 4.818 3.515 -6.827 1.00 53.31 H new ATOM 0 HB1 ALA A 63 7.218 4.004 -6.371 1.00 74.14 H new ATOM 0 HB2 ALA A 63 6.273 5.496 -6.595 1.00 74.14 H new ATOM 0 HB3 ALA A 63 6.742 4.976 -4.958 1.00 74.14 H new ATOM 1037 N LEU A 64 5.239 2.659 -3.662 1.00 24.24 N ATOM 1038 CA LEU A 64 5.291 1.509 -2.724 1.00 24.05 C ATOM 1039 C LEU A 64 4.029 0.606 -2.847 1.00 51.14 C ATOM 1040 O LEU A 64 4.141 -0.620 -2.854 1.00 24.10 O ATOM 1041 CB LEU A 64 5.457 2.018 -1.263 1.00 12.33 C ATOM 1042 CG LEU A 64 5.408 0.930 -0.137 1.00 21.40 C ATOM 1043 CD1 LEU A 64 6.469 -0.174 -0.345 1.00 11.43 C ATOM 1044 CD2 LEU A 64 5.541 1.562 1.264 1.00 50.35 C ATOM 0 H LEU A 64 5.110 3.559 -3.199 1.00 24.24 H new ATOM 0 HA LEU A 64 6.155 0.900 -2.991 1.00 24.05 H new ATOM 0 HB2 LEU A 64 6.410 2.543 -1.190 1.00 12.33 H new ATOM 0 HB3 LEU A 64 4.674 2.750 -1.065 1.00 12.33 H new ATOM 0 HG LEU A 64 4.429 0.455 -0.204 1.00 21.40 H new ATOM 0 HD11 LEU A 64 6.396 -0.905 0.460 1.00 11.43 H new ATOM 0 HD12 LEU A 64 6.297 -0.669 -1.301 1.00 11.43 H new ATOM 0 HD13 LEU A 64 7.464 0.272 -0.341 1.00 11.43 H new ATOM 0 HD21 LEU A 64 5.503 0.779 2.021 1.00 50.35 H new ATOM 0 HD22 LEU A 64 6.491 2.091 1.336 1.00 50.35 H new ATOM 0 HD23 LEU A 64 4.723 2.263 1.426 1.00 50.35 H new ATOM 1056 N ILE A 65 2.840 1.229 -2.945 1.00 60.45 N ATOM 1057 CA ILE A 65 1.540 0.511 -3.080 1.00 10.21 C ATOM 1058 C ILE A 65 1.507 -0.401 -4.340 1.00 13.12 C ATOM 1059 O ILE A 65 0.906 -1.484 -4.322 1.00 0.22 O ATOM 1060 CB ILE A 65 0.345 1.549 -3.094 1.00 15.54 C ATOM 1061 CG1 ILE A 65 0.183 2.202 -1.676 1.00 71.21 C ATOM 1062 CG2 ILE A 65 -0.992 0.926 -3.578 1.00 53.23 C ATOM 1063 CD1 ILE A 65 -0.856 3.308 -1.583 1.00 32.21 C ATOM 0 H ILE A 65 2.744 2.244 -2.934 1.00 60.45 H new ATOM 0 HA ILE A 65 1.426 -0.143 -2.216 1.00 10.21 H new ATOM 0 HB ILE A 65 0.598 2.323 -3.819 1.00 15.54 H new ATOM 0 HG12 ILE A 65 -0.078 1.421 -0.962 1.00 71.21 H new ATOM 0 HG13 ILE A 65 1.148 2.606 -1.368 1.00 71.21 H new ATOM 0 HG21 ILE A 65 -1.773 1.686 -3.566 1.00 53.23 H new ATOM 0 HG22 ILE A 65 -0.870 0.547 -4.593 1.00 53.23 H new ATOM 0 HG23 ILE A 65 -1.272 0.107 -2.916 1.00 53.23 H new ATOM 0 HD11 ILE A 65 -0.889 3.691 -0.563 1.00 32.21 H new ATOM 0 HD12 ILE A 65 -0.590 4.115 -2.266 1.00 32.21 H new ATOM 0 HD13 ILE A 65 -1.835 2.912 -1.853 1.00 32.21 H new ATOM 1075 N ARG A 66 2.176 0.044 -5.415 1.00 74.02 N ATOM 1076 CA ARG A 66 2.344 -0.753 -6.655 1.00 40.41 C ATOM 1077 C ARG A 66 3.127 -2.060 -6.385 1.00 63.34 C ATOM 1078 O ARG A 66 2.783 -3.124 -6.909 1.00 12.33 O ATOM 1079 CB ARG A 66 3.082 0.094 -7.723 1.00 55.31 C ATOM 1080 CG ARG A 66 2.325 1.365 -8.156 1.00 24.21 C ATOM 1081 CD ARG A 66 3.163 2.279 -9.066 1.00 0.44 C ATOM 1082 NE ARG A 66 2.437 3.512 -9.413 1.00 75.34 N ATOM 1083 CZ ARG A 66 2.983 4.685 -9.646 1.00 10.15 C ATOM 1084 NH1 ARG A 66 4.262 4.877 -9.537 1.00 23.42 N ATOM 1085 NH2 ARG A 66 2.228 5.677 -9.978 1.00 5.24 N ATOM 0 H ARG A 66 2.617 0.963 -5.456 1.00 74.02 H new ATOM 0 HA ARG A 66 1.354 -1.025 -7.021 1.00 40.41 H new ATOM 0 HB2 ARG A 66 4.058 0.382 -7.332 1.00 55.31 H new ATOM 0 HB3 ARG A 66 3.261 -0.526 -8.602 1.00 55.31 H new ATOM 0 HG2 ARG A 66 1.412 1.078 -8.679 1.00 24.21 H new ATOM 0 HG3 ARG A 66 2.023 1.922 -7.269 1.00 24.21 H new ATOM 0 HD2 ARG A 66 4.097 2.535 -8.565 1.00 0.44 H new ATOM 0 HD3 ARG A 66 3.427 1.743 -9.978 1.00 0.44 H new ATOM 0 HE ARG A 66 1.421 3.451 -9.478 1.00 75.34 H new ATOM 0 HH11 ARG A 66 4.872 4.106 -9.264 1.00 23.42 H new ATOM 0 HH12 ARG A 66 4.657 5.799 -9.724 1.00 23.42 H new ATOM 0 HH21 ARG A 66 1.220 5.546 -10.057 1.00 5.24 H new ATOM 0 HH22 ARG A 66 2.640 6.592 -10.161 1.00 5.24 H new ATOM 1099 N ASP A 67 4.164 -1.953 -5.539 1.00 20.33 N ATOM 1100 CA ASP A 67 5.046 -3.081 -5.183 1.00 51.45 C ATOM 1101 C ASP A 67 4.315 -4.096 -4.252 1.00 54.03 C ATOM 1102 O ASP A 67 4.370 -5.309 -4.480 1.00 70.04 O ATOM 1103 CB ASP A 67 6.330 -2.526 -4.509 1.00 55.53 C ATOM 1104 CG ASP A 67 7.467 -3.555 -4.439 1.00 63.53 C ATOM 1105 OD1 ASP A 67 8.275 -3.627 -5.391 1.00 31.03 O ATOM 1106 OD2 ASP A 67 7.563 -4.301 -3.450 1.00 54.34 O ATOM 0 H ASP A 67 4.417 -1.078 -5.079 1.00 20.33 H new ATOM 0 HA ASP A 67 5.321 -3.621 -6.089 1.00 51.45 H new ATOM 0 HB2 ASP A 67 6.674 -1.651 -5.061 1.00 55.53 H new ATOM 0 HB3 ASP A 67 6.088 -2.192 -3.500 1.00 55.53 H new ATOM 1111 N ILE A 68 3.618 -3.573 -3.222 1.00 32.11 N ATOM 1112 CA ILE A 68 2.872 -4.394 -2.228 1.00 54.00 C ATOM 1113 C ILE A 68 1.717 -5.204 -2.892 1.00 12.41 C ATOM 1114 O ILE A 68 1.563 -6.406 -2.643 1.00 75.43 O ATOM 1115 CB ILE A 68 2.289 -3.488 -1.073 1.00 22.43 C ATOM 1116 CG1 ILE A 68 3.427 -2.691 -0.353 1.00 51.31 C ATOM 1117 CG2 ILE A 68 1.488 -4.321 -0.044 1.00 64.33 C ATOM 1118 CD1 ILE A 68 2.951 -1.728 0.733 1.00 14.04 C ATOM 0 H ILE A 68 3.552 -2.570 -3.050 1.00 32.11 H new ATOM 0 HA ILE A 68 3.584 -5.102 -1.805 1.00 54.00 H new ATOM 0 HB ILE A 68 1.606 -2.777 -1.538 1.00 22.43 H new ATOM 0 HG12 ILE A 68 4.123 -3.402 0.092 1.00 51.31 H new ATOM 0 HG13 ILE A 68 3.984 -2.126 -1.101 1.00 51.31 H new ATOM 0 HG21 ILE A 68 1.103 -3.664 0.735 1.00 64.33 H new ATOM 0 HG22 ILE A 68 0.656 -4.816 -0.545 1.00 64.33 H new ATOM 0 HG23 ILE A 68 2.140 -5.071 0.404 1.00 64.33 H new ATOM 0 HD11 ILE A 68 3.811 -1.223 1.173 1.00 14.04 H new ATOM 0 HD12 ILE A 68 2.280 -0.989 0.295 1.00 14.04 H new ATOM 0 HD13 ILE A 68 2.422 -2.285 1.506 1.00 14.04 H new ATOM 1130 N ARG A 69 0.911 -4.525 -3.734 1.00 51.54 N ATOM 1131 CA ARG A 69 -0.190 -5.174 -4.494 1.00 55.12 C ATOM 1132 C ARG A 69 0.349 -6.195 -5.526 1.00 72.12 C ATOM 1133 O ARG A 69 -0.341 -7.166 -5.862 1.00 60.04 O ATOM 1134 CB ARG A 69 -1.078 -4.119 -5.204 1.00 14.12 C ATOM 1135 CG ARG A 69 -1.863 -3.186 -4.254 1.00 4.12 C ATOM 1136 CD ARG A 69 -2.773 -2.208 -5.021 1.00 54.42 C ATOM 1137 NE ARG A 69 -2.015 -1.396 -6.000 1.00 21.30 N ATOM 1138 CZ ARG A 69 -2.508 -0.874 -7.108 1.00 72.41 C ATOM 1139 NH1 ARG A 69 -3.748 -1.055 -7.447 1.00 60.33 N ATOM 1140 NH2 ARG A 69 -1.749 -0.176 -7.885 1.00 13.41 N ATOM 0 H ARG A 69 0.998 -3.524 -3.909 1.00 51.54 H new ATOM 0 HA ARG A 69 -0.800 -5.714 -3.770 1.00 55.12 H new ATOM 0 HB2 ARG A 69 -0.447 -3.509 -5.850 1.00 14.12 H new ATOM 0 HB3 ARG A 69 -1.787 -4.637 -5.849 1.00 14.12 H new ATOM 0 HG2 ARG A 69 -2.468 -3.787 -3.575 1.00 4.12 H new ATOM 0 HG3 ARG A 69 -1.161 -2.621 -3.640 1.00 4.12 H new ATOM 0 HD2 ARG A 69 -3.551 -2.768 -5.540 1.00 54.42 H new ATOM 0 HD3 ARG A 69 -3.274 -1.548 -4.313 1.00 54.42 H new ATOM 0 HE ARG A 69 -1.029 -1.226 -5.802 1.00 21.30 H new ATOM 0 HH11 ARG A 69 -4.363 -1.610 -6.853 1.00 60.33 H new ATOM 0 HH12 ARG A 69 -4.107 -0.642 -8.308 1.00 60.33 H new ATOM 0 HH21 ARG A 69 -0.769 -0.028 -7.643 1.00 13.41 H new ATOM 0 HH22 ARG A 69 -2.129 0.228 -8.741 1.00 13.41 H new ATOM 1154 N ARG A 70 1.574 -5.958 -6.039 1.00 42.42 N ATOM 1155 CA ARG A 70 2.253 -6.886 -6.971 1.00 25.52 C ATOM 1156 C ARG A 70 2.657 -8.207 -6.258 1.00 72.24 C ATOM 1157 O ARG A 70 2.800 -9.252 -6.899 1.00 55.34 O ATOM 1158 CB ARG A 70 3.491 -6.190 -7.588 1.00 10.14 C ATOM 1159 CG ARG A 70 4.062 -6.878 -8.843 1.00 21.22 C ATOM 1160 CD ARG A 70 5.175 -6.050 -9.513 1.00 24.12 C ATOM 1161 NE ARG A 70 4.702 -4.695 -9.880 1.00 4.34 N ATOM 1162 CZ ARG A 70 5.385 -3.573 -9.744 1.00 3.00 C ATOM 1163 NH1 ARG A 70 6.583 -3.564 -9.258 1.00 34.25 N ATOM 1164 NH2 ARG A 70 4.853 -2.452 -10.103 1.00 52.10 N ATOM 0 H ARG A 70 2.119 -5.124 -5.821 1.00 42.42 H new ATOM 0 HA ARG A 70 1.558 -7.148 -7.769 1.00 25.52 H new ATOM 0 HB2 ARG A 70 3.224 -5.164 -7.843 1.00 10.14 H new ATOM 0 HB3 ARG A 70 4.274 -6.137 -6.832 1.00 10.14 H new ATOM 0 HG2 ARG A 70 4.456 -7.857 -8.570 1.00 21.22 H new ATOM 0 HG3 ARG A 70 3.258 -7.047 -9.559 1.00 21.22 H new ATOM 0 HD2 ARG A 70 6.026 -5.968 -8.836 1.00 24.12 H new ATOM 0 HD3 ARG A 70 5.527 -6.567 -10.406 1.00 24.12 H new ATOM 0 HE ARG A 70 3.764 -4.622 -10.273 1.00 4.34 H new ATOM 0 HH11 ARG A 70 7.023 -4.438 -8.969 1.00 34.25 H new ATOM 0 HH12 ARG A 70 7.089 -2.683 -9.164 1.00 34.25 H new ATOM 0 HH21 ARG A 70 3.909 -2.436 -10.490 1.00 52.10 H new ATOM 0 HH22 ARG A 70 5.377 -1.583 -10.000 1.00 52.10 H new ATOM 1178 N ARG A 71 2.829 -8.139 -4.921 1.00 30.44 N ATOM 1179 CA ARG A 71 3.070 -9.334 -4.066 1.00 2.15 C ATOM 1180 C ARG A 71 1.758 -10.115 -3.796 1.00 54.13 C ATOM 1181 O ARG A 71 1.792 -11.233 -3.260 1.00 34.12 O ATOM 1182 CB ARG A 71 3.715 -8.908 -2.722 1.00 5.54 C ATOM 1183 CG ARG A 71 5.010 -8.099 -2.881 1.00 25.04 C ATOM 1184 CD ARG A 71 5.625 -7.676 -1.542 1.00 33.24 C ATOM 1185 NE ARG A 71 6.794 -6.806 -1.729 1.00 30.43 N ATOM 1186 CZ ARG A 71 8.047 -7.196 -1.817 1.00 10.20 C ATOM 1187 NH1 ARG A 71 8.373 -8.451 -1.865 1.00 63.03 N ATOM 1188 NH2 ARG A 71 8.973 -6.301 -1.873 1.00 53.24 N ATOM 0 H ARG A 71 2.806 -7.262 -4.401 1.00 30.44 H new ATOM 0 HA ARG A 71 3.751 -9.994 -4.603 1.00 2.15 H new ATOM 0 HB2 ARG A 71 2.995 -8.316 -2.157 1.00 5.54 H new ATOM 0 HB3 ARG A 71 3.926 -9.800 -2.133 1.00 5.54 H new ATOM 0 HG2 ARG A 71 5.736 -8.693 -3.436 1.00 25.04 H new ATOM 0 HG3 ARG A 71 4.804 -7.209 -3.476 1.00 25.04 H new ATOM 0 HD2 ARG A 71 4.876 -7.155 -0.946 1.00 33.24 H new ATOM 0 HD3 ARG A 71 5.918 -8.563 -0.980 1.00 33.24 H new ATOM 0 HE ARG A 71 6.617 -5.804 -1.797 1.00 30.43 H new ATOM 0 HH11 ARG A 71 7.648 -9.168 -1.835 1.00 63.03 H new ATOM 0 HH12 ARG A 71 9.354 -8.721 -1.933 1.00 63.03 H new ATOM 0 HH21 ARG A 71 8.728 -5.311 -1.849 1.00 53.24 H new ATOM 0 HH22 ARG A 71 9.951 -6.583 -1.941 1.00 53.24 H new