USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 634 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 86 HIS : no HD1:sc= 0.837 K(o=1.6,f=-2) USER MOD Set 1.2: A 91 THR OG1 : rot -93:sc= 0.715 USER MOD Set 2.1: A 46 ASN : amide:sc= 0.239 K(o=1.1,f=-3.4!) USER MOD Set 2.2: A 78 SER OG : rot 153:sc= 0.853 USER MOD Single : A 27 GLN : amide:sc= -0.02 X(o=-0.02,f=-0.02) USER MOD Single : A 33 HIS : no HE2:sc= -0.229 K(o=-0.23,f=-1.8) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0706 USER MOD Single : A 44 HIS : no HE2:sc= 0.143 K(o=0.14,f=-3.3!) USER MOD Single : A 56 ASN : amide:sc= 0.265 X(o=0.27,f=-0.016) USER MOD Single : A 58 SER OG : rot 78:sc= 0.227 USER MOD Single : A 59 LYS NZ :NH3+ -169:sc= -0.01 (180deg=-0.142) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -176:sc=-0.00405 (180deg=-0.0296) USER MOD Single : A 72 LYS NZ :NH3+ -140:sc= 0.95 (180deg=0.0502) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.96! K(o=-3!,f=-0.34) USER MOD Single : A 87 SER OG : rot -59:sc= -0.464 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 45:sc= 0.148 USER MOD Single : A 95 ASN : amide:sc= -0.655 K(o=-0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 328 N LEU A 21 10.740 2.545 -3.231 1.00 22.03 N ATOM 329 CA LEU A 21 9.338 2.283 -3.622 1.00 33.10 C ATOM 330 C LEU A 21 8.409 2.531 -2.436 1.00 33.54 C ATOM 331 O LEU A 21 7.279 2.973 -2.622 1.00 13.35 O ATOM 332 CB LEU A 21 9.142 0.841 -4.223 1.00 52.21 C ATOM 333 CG LEU A 21 9.407 -0.425 -3.299 1.00 12.42 C ATOM 334 CD1 LEU A 21 8.205 -0.780 -2.373 1.00 34.21 C ATOM 335 CD2 LEU A 21 9.813 -1.661 -4.140 1.00 21.12 C ATOM 0 HA LEU A 21 9.078 2.980 -4.419 1.00 33.10 H new ATOM 0 HB2 LEU A 21 8.117 0.773 -4.587 1.00 52.21 H new ATOM 0 HB3 LEU A 21 9.795 0.756 -5.092 1.00 52.21 H new ATOM 0 HG LEU A 21 10.236 -0.144 -2.649 1.00 12.42 H new ATOM 0 HD11 LEU A 21 8.455 -1.653 -1.771 1.00 34.21 H new ATOM 0 HD12 LEU A 21 7.990 0.063 -1.717 1.00 34.21 H new ATOM 0 HD13 LEU A 21 7.328 -0.999 -2.983 1.00 34.21 H new ATOM 0 HD21 LEU A 21 9.987 -2.510 -3.479 1.00 21.12 H new ATOM 0 HD22 LEU A 21 9.013 -1.904 -4.839 1.00 21.12 H new ATOM 0 HD23 LEU A 21 10.725 -1.440 -4.695 1.00 21.12 H new ATOM 347 N LEU A 22 8.926 2.253 -1.213 1.00 62.43 N ATOM 348 CA LEU A 22 8.209 2.503 0.042 1.00 62.23 C ATOM 349 C LEU A 22 7.755 3.972 0.097 1.00 23.22 C ATOM 350 O LEU A 22 6.547 4.244 0.143 1.00 71.02 O ATOM 351 CB LEU A 22 9.086 2.116 1.277 1.00 12.31 C ATOM 352 CG LEU A 22 9.425 0.590 1.413 1.00 43.30 C ATOM 353 CD1 LEU A 22 10.329 0.319 2.640 1.00 54.03 C ATOM 354 CD2 LEU A 22 8.137 -0.278 1.469 1.00 31.50 C ATOM 0 H LEU A 22 9.853 1.849 -1.080 1.00 62.43 H new ATOM 0 HA LEU A 22 7.321 1.872 0.077 1.00 62.23 H new ATOM 0 HB2 LEU A 22 10.020 2.675 1.226 1.00 12.31 H new ATOM 0 HB3 LEU A 22 8.571 2.438 2.182 1.00 12.31 H new ATOM 0 HG LEU A 22 9.980 0.302 0.520 1.00 43.30 H new ATOM 0 HD11 LEU A 22 10.545 -0.748 2.705 1.00 54.03 H new ATOM 0 HD12 LEU A 22 11.262 0.872 2.534 1.00 54.03 H new ATOM 0 HD13 LEU A 22 9.818 0.641 3.547 1.00 54.03 H new ATOM 0 HD21 LEU A 22 8.410 -1.329 1.563 1.00 31.50 H new ATOM 0 HD22 LEU A 22 7.535 0.019 2.328 1.00 31.50 H new ATOM 0 HD23 LEU A 22 7.561 -0.133 0.555 1.00 31.50 H new ATOM 366 N GLU A 23 8.720 4.916 -0.026 1.00 25.23 N ATOM 367 CA GLU A 23 8.405 6.354 -0.004 1.00 44.33 C ATOM 368 C GLU A 23 7.556 6.766 -1.224 1.00 40.11 C ATOM 369 O GLU A 23 6.712 7.642 -1.098 1.00 74.54 O ATOM 370 CB GLU A 23 9.659 7.263 0.090 1.00 4.35 C ATOM 371 CG GLU A 23 9.284 8.762 0.228 1.00 10.43 C ATOM 372 CD GLU A 23 10.465 9.695 0.422 1.00 13.25 C ATOM 373 OE1 GLU A 23 10.816 9.974 1.582 1.00 40.32 O ATOM 374 OE2 GLU A 23 11.035 10.164 -0.587 1.00 2.21 O ATOM 0 H GLU A 23 9.711 4.704 -0.140 1.00 25.23 H new ATOM 0 HA GLU A 23 7.828 6.505 0.908 1.00 44.33 H new ATOM 0 HB2 GLU A 23 10.262 6.960 0.946 1.00 4.35 H new ATOM 0 HB3 GLU A 23 10.274 7.124 -0.799 1.00 4.35 H new ATOM 0 HG2 GLU A 23 8.738 9.070 -0.664 1.00 10.43 H new ATOM 0 HG3 GLU A 23 8.605 8.877 1.073 1.00 10.43 H new ATOM 381 N ARG A 24 7.758 6.113 -2.387 1.00 64.05 N ATOM 382 CA ARG A 24 6.937 6.377 -3.601 1.00 64.10 C ATOM 383 C ARG A 24 5.449 6.061 -3.336 1.00 52.11 C ATOM 384 O ARG A 24 4.556 6.737 -3.873 1.00 42.32 O ATOM 385 CB ARG A 24 7.453 5.553 -4.804 1.00 13.24 C ATOM 386 CG ARG A 24 8.834 5.998 -5.334 1.00 64.32 C ATOM 387 CD ARG A 24 9.395 5.038 -6.400 1.00 11.40 C ATOM 388 NE ARG A 24 8.509 4.904 -7.572 1.00 34.41 N ATOM 389 CZ ARG A 24 8.306 3.768 -8.272 1.00 71.44 C ATOM 390 NH1 ARG A 24 8.914 2.632 -7.933 1.00 34.32 N ATOM 391 NH2 ARG A 24 7.509 3.780 -9.329 1.00 51.31 N ATOM 0 H ARG A 24 8.477 5.401 -2.517 1.00 64.05 H new ATOM 0 HA ARG A 24 7.028 7.436 -3.843 1.00 64.10 H new ATOM 0 HB2 ARG A 24 7.509 4.504 -4.513 1.00 13.24 H new ATOM 0 HB3 ARG A 24 6.727 5.621 -5.614 1.00 13.24 H new ATOM 0 HG2 ARG A 24 8.751 6.999 -5.758 1.00 64.32 H new ATOM 0 HG3 ARG A 24 9.535 6.062 -4.502 1.00 64.32 H new ATOM 0 HD2 ARG A 24 10.371 5.396 -6.727 1.00 11.40 H new ATOM 0 HD3 ARG A 24 9.549 4.056 -5.953 1.00 11.40 H new ATOM 0 HE ARG A 24 8.009 5.738 -7.878 1.00 34.41 H new ATOM 0 HH11 ARG A 24 9.545 2.611 -7.132 1.00 34.32 H new ATOM 0 HH12 ARG A 24 8.748 1.784 -8.474 1.00 34.32 H new ATOM 0 HH21 ARG A 24 7.051 4.646 -9.612 1.00 51.31 H new ATOM 0 HH22 ARG A 24 7.353 2.923 -9.860 1.00 51.31 H new ATOM 405 N LEU A 25 5.200 5.055 -2.469 1.00 51.33 N ATOM 406 CA LEU A 25 3.838 4.688 -2.049 1.00 70.44 C ATOM 407 C LEU A 25 3.391 5.608 -0.907 1.00 55.12 C ATOM 408 O LEU A 25 2.211 5.930 -0.806 1.00 52.54 O ATOM 409 CB LEU A 25 3.745 3.180 -1.643 1.00 60.15 C ATOM 410 CG LEU A 25 3.470 2.177 -2.815 1.00 3.43 C ATOM 411 CD1 LEU A 25 4.572 2.202 -3.892 1.00 63.12 C ATOM 412 CD2 LEU A 25 3.247 0.751 -2.273 1.00 21.21 C ATOM 0 H LEU A 25 5.931 4.483 -2.047 1.00 51.33 H new ATOM 0 HA LEU A 25 3.163 4.823 -2.894 1.00 70.44 H new ATOM 0 HB2 LEU A 25 4.678 2.895 -1.157 1.00 60.15 H new ATOM 0 HB3 LEU A 25 2.953 3.070 -0.902 1.00 60.15 H new ATOM 0 HG LEU A 25 2.555 2.507 -3.307 1.00 3.43 H new ATOM 0 HD11 LEU A 25 4.328 1.488 -4.678 1.00 63.12 H new ATOM 0 HD12 LEU A 25 4.641 3.202 -4.319 1.00 63.12 H new ATOM 0 HD13 LEU A 25 5.527 1.934 -3.441 1.00 63.12 H new ATOM 0 HD21 LEU A 25 3.058 0.071 -3.104 1.00 21.21 H new ATOM 0 HD22 LEU A 25 4.135 0.424 -1.732 1.00 21.21 H new ATOM 0 HD23 LEU A 25 2.390 0.748 -1.599 1.00 21.21 H new ATOM 424 N ARG A 26 4.358 6.062 -0.078 1.00 22.11 N ATOM 425 CA ARG A 26 4.079 6.963 1.051 1.00 74.21 C ATOM 426 C ARG A 26 3.571 8.310 0.531 1.00 21.23 C ATOM 427 O ARG A 26 2.624 8.843 1.074 1.00 74.51 O ATOM 428 CB ARG A 26 5.325 7.189 1.951 1.00 14.34 C ATOM 429 CG ARG A 26 5.003 7.910 3.284 1.00 43.21 C ATOM 430 CD ARG A 26 6.227 8.080 4.206 1.00 10.14 C ATOM 431 NE ARG A 26 7.297 8.893 3.595 1.00 33.45 N ATOM 432 CZ ARG A 26 7.297 10.235 3.500 1.00 1.51 C ATOM 433 NH1 ARG A 26 6.279 10.967 3.960 1.00 5.50 N ATOM 434 NH2 ARG A 26 8.332 10.845 2.948 1.00 3.53 N ATOM 0 H ARG A 26 5.343 5.814 -0.175 1.00 22.11 H new ATOM 0 HA ARG A 26 3.314 6.484 1.663 1.00 74.21 H new ATOM 0 HB2 ARG A 26 5.784 6.225 2.170 1.00 14.34 H new ATOM 0 HB3 ARG A 26 6.060 7.774 1.399 1.00 14.34 H new ATOM 0 HG2 ARG A 26 4.585 8.892 3.064 1.00 43.21 H new ATOM 0 HG3 ARG A 26 4.234 7.348 3.815 1.00 43.21 H new ATOM 0 HD2 ARG A 26 5.911 8.546 5.139 1.00 10.14 H new ATOM 0 HD3 ARG A 26 6.624 7.097 4.460 1.00 10.14 H new ATOM 0 HE ARG A 26 8.102 8.397 3.214 1.00 33.45 H new ATOM 0 HH11 ARG A 26 5.478 10.510 4.395 1.00 5.50 H new ATOM 0 HH12 ARG A 26 6.303 11.983 3.876 1.00 5.50 H new ATOM 0 HH21 ARG A 26 9.120 10.299 2.599 1.00 3.53 H new ATOM 0 HH22 ARG A 26 8.343 11.862 2.871 1.00 3.53 H new ATOM 448 N GLN A 27 4.197 8.812 -0.563 1.00 21.40 N ATOM 449 CA GLN A 27 3.810 10.087 -1.204 1.00 32.45 C ATOM 450 C GLN A 27 2.361 9.991 -1.706 1.00 23.12 C ATOM 451 O GLN A 27 1.584 10.942 -1.578 1.00 2.34 O ATOM 452 CB GLN A 27 4.753 10.440 -2.396 1.00 4.14 C ATOM 453 CG GLN A 27 6.254 10.590 -2.058 1.00 11.34 C ATOM 454 CD GLN A 27 6.548 11.597 -0.945 1.00 54.44 C ATOM 455 OE1 GLN A 27 6.755 12.781 -1.201 1.00 10.30 O ATOM 456 NE2 GLN A 27 6.578 11.125 0.295 1.00 42.41 N ATOM 0 H GLN A 27 4.980 8.345 -1.021 1.00 21.40 H new ATOM 0 HA GLN A 27 3.897 10.878 -0.460 1.00 32.45 H new ATOM 0 HB2 GLN A 27 4.649 9.666 -3.156 1.00 4.14 H new ATOM 0 HB3 GLN A 27 4.407 11.373 -2.842 1.00 4.14 H new ATOM 0 HG2 GLN A 27 6.648 9.617 -1.766 1.00 11.34 H new ATOM 0 HG3 GLN A 27 6.789 10.893 -2.958 1.00 11.34 H new ATOM 0 HE21 GLN A 27 6.401 10.136 0.468 1.00 42.41 H new ATOM 0 HE22 GLN A 27 6.778 11.752 1.075 1.00 42.41 H new ATOM 465 N LEU A 28 2.017 8.807 -2.244 1.00 72.53 N ATOM 466 CA LEU A 28 0.657 8.477 -2.673 1.00 32.35 C ATOM 467 C LEU A 28 -0.314 8.508 -1.469 1.00 64.40 C ATOM 468 O LEU A 28 -1.390 9.088 -1.557 1.00 51.44 O ATOM 469 CB LEU A 28 0.629 7.084 -3.357 1.00 52.44 C ATOM 470 CG LEU A 28 -0.765 6.602 -3.870 1.00 51.43 C ATOM 471 CD1 LEU A 28 -1.343 7.575 -4.922 1.00 60.43 C ATOM 472 CD2 LEU A 28 -0.690 5.154 -4.403 1.00 0.31 C ATOM 0 H LEU A 28 2.685 8.050 -2.392 1.00 72.53 H new ATOM 0 HA LEU A 28 0.332 9.225 -3.396 1.00 32.35 H new ATOM 0 HB2 LEU A 28 1.319 7.102 -4.201 1.00 52.44 H new ATOM 0 HB3 LEU A 28 1.009 6.346 -2.650 1.00 52.44 H new ATOM 0 HG LEU A 28 -1.453 6.601 -3.024 1.00 51.43 H new ATOM 0 HD11 LEU A 28 -2.314 7.211 -5.259 1.00 60.43 H new ATOM 0 HD12 LEU A 28 -1.460 8.563 -4.478 1.00 60.43 H new ATOM 0 HD13 LEU A 28 -0.664 7.637 -5.772 1.00 60.43 H new ATOM 0 HD21 LEU A 28 -1.674 4.844 -4.754 1.00 0.31 H new ATOM 0 HD22 LEU A 28 0.021 5.106 -5.228 1.00 0.31 H new ATOM 0 HD23 LEU A 28 -0.363 4.489 -3.604 1.00 0.31 H new ATOM 484 N PHE A 29 0.102 7.911 -0.337 1.00 0.35 N ATOM 485 CA PHE A 29 -0.725 7.843 0.890 1.00 72.53 C ATOM 486 C PHE A 29 -0.830 9.221 1.596 1.00 35.30 C ATOM 487 O PHE A 29 -1.822 9.496 2.282 1.00 51.24 O ATOM 488 CB PHE A 29 -0.166 6.778 1.865 1.00 32.02 C ATOM 489 CG PHE A 29 -0.240 5.329 1.366 1.00 52.30 C ATOM 490 CD1 PHE A 29 -1.413 4.815 0.811 1.00 12.41 C ATOM 491 CD2 PHE A 29 0.862 4.476 1.453 1.00 52.20 C ATOM 492 CE1 PHE A 29 -1.470 3.506 0.366 1.00 71.24 C ATOM 493 CE2 PHE A 29 0.797 3.166 1.003 1.00 11.30 C ATOM 494 CZ PHE A 29 -0.370 2.683 0.462 1.00 54.12 C ATOM 0 H PHE A 29 1.014 7.464 -0.243 1.00 0.35 H new ATOM 0 HA PHE A 29 -1.731 7.552 0.587 1.00 72.53 H new ATOM 0 HB2 PHE A 29 0.875 7.018 2.081 1.00 32.02 H new ATOM 0 HB3 PHE A 29 -0.711 6.849 2.806 1.00 32.02 H new ATOM 0 HD1 PHE A 29 -2.286 5.446 0.728 1.00 12.41 H new ATOM 0 HD2 PHE A 29 1.784 4.844 1.879 1.00 52.20 H new ATOM 0 HE1 PHE A 29 -2.386 3.126 -0.061 1.00 71.24 H new ATOM 0 HE2 PHE A 29 1.663 2.526 1.078 1.00 11.30 H new ATOM 0 HZ PHE A 29 -0.424 1.662 0.114 1.00 54.12 H new ATOM 504 N GLU A 30 0.192 10.082 1.397 1.00 40.42 N ATOM 505 CA GLU A 30 0.204 11.470 1.916 1.00 15.52 C ATOM 506 C GLU A 30 -0.677 12.357 1.015 1.00 31.12 C ATOM 507 O GLU A 30 -1.196 13.387 1.450 1.00 20.52 O ATOM 508 CB GLU A 30 1.660 12.027 1.994 1.00 22.11 C ATOM 509 CG GLU A 30 2.624 11.255 2.941 1.00 54.30 C ATOM 510 CD GLU A 30 2.435 11.467 4.459 1.00 24.55 C ATOM 511 OE1 GLU A 30 1.301 11.713 4.922 1.00 25.31 O ATOM 512 OE2 GLU A 30 3.444 11.358 5.206 1.00 44.14 O ATOM 0 H GLU A 30 1.032 9.836 0.873 1.00 40.42 H new ATOM 0 HA GLU A 30 -0.200 11.475 2.928 1.00 15.52 H new ATOM 0 HB2 GLU A 30 2.085 12.024 0.990 1.00 22.11 H new ATOM 0 HB3 GLU A 30 1.616 13.067 2.319 1.00 22.11 H new ATOM 0 HG2 GLU A 30 2.523 10.190 2.733 1.00 54.30 H new ATOM 0 HG3 GLU A 30 3.646 11.534 2.685 1.00 54.30 H new ATOM 519 N GLU A 31 -0.835 11.920 -0.242 1.00 13.32 N ATOM 520 CA GLU A 31 -1.750 12.532 -1.219 1.00 1.53 C ATOM 521 C GLU A 31 -3.209 12.131 -0.892 1.00 33.40 C ATOM 522 O GLU A 31 -4.161 12.882 -1.130 1.00 55.22 O ATOM 523 CB GLU A 31 -1.343 12.051 -2.639 1.00 22.21 C ATOM 524 CG GLU A 31 -1.999 12.807 -3.795 1.00 43.34 C ATOM 525 CD GLU A 31 -1.597 14.285 -3.823 1.00 15.34 C ATOM 526 OE1 GLU A 31 -0.439 14.585 -4.190 1.00 11.32 O ATOM 527 OE2 GLU A 31 -2.417 15.148 -3.461 1.00 54.30 O ATOM 0 H GLU A 31 -0.324 11.120 -0.615 1.00 13.32 H new ATOM 0 HA GLU A 31 -1.685 13.619 -1.176 1.00 1.53 H new ATOM 0 HB2 GLU A 31 -0.261 12.136 -2.738 1.00 22.21 H new ATOM 0 HB3 GLU A 31 -1.589 10.993 -2.731 1.00 22.21 H new ATOM 0 HG2 GLU A 31 -1.719 12.338 -4.738 1.00 43.34 H new ATOM 0 HG3 GLU A 31 -3.083 12.729 -3.709 1.00 43.34 H new ATOM 534 N LEU A 32 -3.345 10.906 -0.347 1.00 43.31 N ATOM 535 CA LEU A 32 -4.625 10.335 0.107 1.00 4.52 C ATOM 536 C LEU A 32 -4.956 10.795 1.538 1.00 2.22 C ATOM 537 O LEU A 32 -6.108 10.701 1.953 1.00 51.54 O ATOM 538 CB LEU A 32 -4.561 8.786 0.035 1.00 54.35 C ATOM 539 CG LEU A 32 -4.343 8.201 -1.390 1.00 45.33 C ATOM 540 CD1 LEU A 32 -4.070 6.679 -1.346 1.00 60.31 C ATOM 541 CD2 LEU A 32 -5.518 8.562 -2.325 1.00 53.13 C ATOM 0 H LEU A 32 -2.554 10.277 -0.208 1.00 43.31 H new ATOM 0 HA LEU A 32 -5.419 10.691 -0.550 1.00 4.52 H new ATOM 0 HB2 LEU A 32 -3.753 8.441 0.680 1.00 54.35 H new ATOM 0 HB3 LEU A 32 -5.488 8.380 0.440 1.00 54.35 H new ATOM 0 HG LEU A 32 -3.449 8.663 -1.808 1.00 45.33 H new ATOM 0 HD11 LEU A 32 -3.923 6.306 -2.360 1.00 60.31 H new ATOM 0 HD12 LEU A 32 -3.174 6.487 -0.755 1.00 60.31 H new ATOM 0 HD13 LEU A 32 -4.920 6.170 -0.892 1.00 60.31 H new ATOM 0 HD21 LEU A 32 -5.339 8.140 -3.314 1.00 53.13 H new ATOM 0 HD22 LEU A 32 -6.444 8.155 -1.919 1.00 53.13 H new ATOM 0 HD23 LEU A 32 -5.601 9.646 -2.403 1.00 53.13 H new ATOM 553 N HIS A 33 -3.932 11.286 2.268 1.00 34.44 N ATOM 554 CA HIS A 33 -4.051 11.766 3.668 1.00 65.14 C ATOM 555 C HIS A 33 -5.152 12.844 3.815 1.00 4.52 C ATOM 556 O HIS A 33 -5.779 12.940 4.868 1.00 72.34 O ATOM 557 CB HIS A 33 -2.669 12.324 4.143 1.00 0.22 C ATOM 558 CG HIS A 33 -2.490 12.567 5.627 1.00 54.51 C ATOM 559 ND1 HIS A 33 -1.336 12.216 6.292 1.00 24.41 N ATOM 560 CD2 HIS A 33 -3.267 13.187 6.554 1.00 12.54 C ATOM 561 CE1 HIS A 33 -1.414 12.605 7.544 1.00 34.13 C ATOM 562 NE2 HIS A 33 -2.570 13.195 7.728 1.00 21.52 N ATOM 0 H HIS A 33 -2.984 11.363 1.899 1.00 34.44 H new ATOM 0 HA HIS A 33 -4.342 10.924 4.296 1.00 65.14 H new ATOM 0 HB2 HIS A 33 -1.895 11.628 3.820 1.00 0.22 H new ATOM 0 HB3 HIS A 33 -2.489 13.265 3.623 1.00 0.22 H new ATOM 0 HD1 HIS A 33 -0.542 11.729 5.876 1.00 24.41 H new ATOM 0 HD2 HIS A 33 -4.253 13.597 6.392 1.00 12.54 H new ATOM 0 HE1 HIS A 33 -0.653 12.463 8.297 1.00 34.13 H new ATOM 571 N GLU A 34 -5.389 13.623 2.744 1.00 13.04 N ATOM 572 CA GLU A 34 -6.389 14.713 2.746 1.00 22.54 C ATOM 573 C GLU A 34 -7.823 14.183 3.001 1.00 42.43 C ATOM 574 O GLU A 34 -8.621 14.838 3.689 1.00 32.11 O ATOM 575 CB GLU A 34 -6.346 15.508 1.413 1.00 43.14 C ATOM 576 CG GLU A 34 -6.673 14.682 0.159 1.00 21.43 C ATOM 577 CD GLU A 34 -6.781 15.530 -1.115 1.00 5.30 C ATOM 578 OE1 GLU A 34 -7.815 16.194 -1.305 1.00 51.43 O ATOM 579 OE2 GLU A 34 -5.849 15.517 -1.935 1.00 13.02 O ATOM 0 H GLU A 34 -4.897 13.518 1.856 1.00 13.04 H new ATOM 0 HA GLU A 34 -6.128 15.382 3.566 1.00 22.54 H new ATOM 0 HB2 GLU A 34 -7.050 16.338 1.478 1.00 43.14 H new ATOM 0 HB3 GLU A 34 -5.353 15.941 1.297 1.00 43.14 H new ATOM 0 HG2 GLU A 34 -5.901 13.925 0.019 1.00 21.43 H new ATOM 0 HG3 GLU A 34 -7.613 14.153 0.316 1.00 21.43 H new ATOM 586 N ARG A 35 -8.132 12.986 2.457 1.00 35.31 N ATOM 587 CA ARG A 35 -9.471 12.372 2.581 1.00 31.43 C ATOM 588 C ARG A 35 -9.464 11.284 3.658 1.00 42.11 C ATOM 589 O ARG A 35 -10.376 11.222 4.487 1.00 13.33 O ATOM 590 CB ARG A 35 -9.979 11.789 1.219 1.00 45.41 C ATOM 591 CG ARG A 35 -9.055 10.748 0.517 1.00 5.54 C ATOM 592 CD ARG A 35 -8.223 11.334 -0.638 1.00 33.11 C ATOM 593 NE ARG A 35 -9.082 11.752 -1.751 1.00 11.33 N ATOM 594 CZ ARG A 35 -8.701 12.483 -2.812 1.00 1.13 C ATOM 595 NH1 ARG A 35 -7.447 12.914 -2.946 1.00 44.31 N ATOM 596 NH2 ARG A 35 -9.594 12.766 -3.748 1.00 62.32 N ATOM 0 H ARG A 35 -7.468 12.424 1.925 1.00 35.31 H new ATOM 0 HA ARG A 35 -10.163 13.161 2.876 1.00 31.43 H new ATOM 0 HB2 ARG A 35 -10.950 11.323 1.389 1.00 45.41 H new ATOM 0 HB3 ARG A 35 -10.140 12.620 0.532 1.00 45.41 H new ATOM 0 HG2 ARG A 35 -8.380 10.318 1.257 1.00 5.54 H new ATOM 0 HG3 ARG A 35 -9.668 9.933 0.133 1.00 5.54 H new ATOM 0 HD2 ARG A 35 -7.648 12.187 -0.279 1.00 33.11 H new ATOM 0 HD3 ARG A 35 -7.506 10.591 -0.987 1.00 33.11 H new ATOM 0 HE ARG A 35 -10.059 11.461 -1.716 1.00 11.33 H new ATOM 0 HH11 ARG A 35 -6.752 12.690 -2.234 1.00 44.31 H new ATOM 0 HH12 ARG A 35 -7.182 13.468 -3.761 1.00 44.31 H new ATOM 0 HH21 ARG A 35 -10.553 12.430 -3.656 1.00 62.32 H new ATOM 0 HH22 ARG A 35 -9.323 13.320 -4.561 1.00 62.32 H new ATOM 610 N GLY A 36 -8.409 10.449 3.637 1.00 21.20 N ATOM 611 CA GLY A 36 -8.284 9.290 4.518 1.00 0.03 C ATOM 612 C GLY A 36 -9.381 8.251 4.304 1.00 24.50 C ATOM 613 O GLY A 36 -9.875 7.657 5.261 1.00 61.33 O ATOM 0 H GLY A 36 -7.619 10.566 3.002 1.00 21.20 H new ATOM 0 HA2 GLY A 36 -7.313 8.822 4.357 1.00 0.03 H new ATOM 0 HA3 GLY A 36 -8.308 9.626 5.555 1.00 0.03 H new ATOM 617 N THR A 37 -9.748 8.035 3.027 1.00 4.14 N ATOM 618 CA THR A 37 -10.845 7.124 2.629 1.00 12.04 C ATOM 619 C THR A 37 -10.431 5.638 2.832 1.00 3.31 C ATOM 620 O THR A 37 -9.375 5.357 3.418 1.00 70.55 O ATOM 621 CB THR A 37 -11.258 7.412 1.129 1.00 43.41 C ATOM 622 OG1 THR A 37 -12.403 6.628 0.736 1.00 40.15 O ATOM 623 CG2 THR A 37 -10.107 7.152 0.146 1.00 53.40 C ATOM 0 H THR A 37 -9.291 8.489 2.236 1.00 4.14 H new ATOM 0 HA THR A 37 -11.711 7.307 3.266 1.00 12.04 H new ATOM 0 HB THR A 37 -11.514 8.471 1.087 1.00 43.41 H new ATOM 0 HG1 THR A 37 -12.634 6.830 -0.195 1.00 40.15 H new ATOM 0 HG21 THR A 37 -10.441 7.364 -0.870 1.00 53.40 H new ATOM 0 HG22 THR A 37 -9.264 7.798 0.393 1.00 53.40 H new ATOM 0 HG23 THR A 37 -9.797 6.109 0.216 1.00 53.40 H new ATOM 631 N GLU A 38 -11.286 4.700 2.387 1.00 10.35 N ATOM 632 CA GLU A 38 -10.969 3.263 2.384 1.00 33.41 C ATOM 633 C GLU A 38 -9.781 2.981 1.449 1.00 75.22 C ATOM 634 O GLU A 38 -9.929 2.910 0.227 1.00 3.42 O ATOM 635 CB GLU A 38 -12.206 2.378 2.013 1.00 44.32 C ATOM 636 CG GLU A 38 -13.135 2.936 0.906 1.00 34.42 C ATOM 637 CD GLU A 38 -14.384 3.658 1.458 1.00 71.14 C ATOM 638 OE1 GLU A 38 -15.500 3.104 1.372 1.00 44.44 O ATOM 639 OE2 GLU A 38 -14.253 4.772 2.011 1.00 64.45 O ATOM 0 H GLU A 38 -12.213 4.917 2.021 1.00 10.35 H new ATOM 0 HA GLU A 38 -10.688 2.988 3.401 1.00 33.41 H new ATOM 0 HB2 GLU A 38 -11.845 1.399 1.697 1.00 44.32 H new ATOM 0 HB3 GLU A 38 -12.800 2.223 2.914 1.00 44.32 H new ATOM 0 HG2 GLU A 38 -12.570 3.629 0.283 1.00 34.42 H new ATOM 0 HG3 GLU A 38 -13.454 2.116 0.262 1.00 34.42 H new ATOM 646 N ILE A 39 -8.601 2.896 2.066 1.00 24.13 N ATOM 647 CA ILE A 39 -7.342 2.538 1.416 1.00 74.52 C ATOM 648 C ILE A 39 -7.128 1.031 1.622 1.00 53.52 C ATOM 649 O ILE A 39 -6.884 0.573 2.747 1.00 61.10 O ATOM 650 CB ILE A 39 -6.125 3.328 2.033 1.00 21.41 C ATOM 651 CG1 ILE A 39 -6.364 4.874 1.993 1.00 53.43 C ATOM 652 CG2 ILE A 39 -4.803 2.949 1.322 1.00 33.01 C ATOM 653 CD1 ILE A 39 -5.326 5.704 2.738 1.00 25.50 C ATOM 0 H ILE A 39 -8.493 3.081 3.063 1.00 24.13 H new ATOM 0 HA ILE A 39 -7.396 2.794 0.358 1.00 74.52 H new ATOM 0 HB ILE A 39 -6.040 3.039 3.080 1.00 21.41 H new ATOM 0 HG12 ILE A 39 -6.386 5.196 0.952 1.00 53.43 H new ATOM 0 HG13 ILE A 39 -7.347 5.086 2.414 1.00 53.43 H new ATOM 0 HG21 ILE A 39 -3.978 3.507 1.765 1.00 33.01 H new ATOM 0 HG22 ILE A 39 -4.621 1.880 1.437 1.00 33.01 H new ATOM 0 HG23 ILE A 39 -4.877 3.192 0.262 1.00 33.01 H new ATOM 0 HD11 ILE A 39 -5.577 6.761 2.653 1.00 25.50 H new ATOM 0 HD12 ILE A 39 -5.317 5.416 3.789 1.00 25.50 H new ATOM 0 HD13 ILE A 39 -4.341 5.529 2.305 1.00 25.50 H new ATOM 665 N VAL A 40 -7.256 0.272 0.536 1.00 72.14 N ATOM 666 CA VAL A 40 -7.116 -1.179 0.544 1.00 12.24 C ATOM 667 C VAL A 40 -5.856 -1.545 -0.247 1.00 51.40 C ATOM 668 O VAL A 40 -5.837 -1.427 -1.472 1.00 32.24 O ATOM 669 CB VAL A 40 -8.374 -1.894 -0.070 1.00 3.34 C ATOM 670 CG1 VAL A 40 -8.242 -3.428 0.056 1.00 30.13 C ATOM 671 CG2 VAL A 40 -9.687 -1.377 0.571 1.00 61.32 C ATOM 0 H VAL A 40 -7.463 0.655 -0.387 1.00 72.14 H new ATOM 0 HA VAL A 40 -7.032 -1.520 1.576 1.00 12.24 H new ATOM 0 HB VAL A 40 -8.420 -1.649 -1.131 1.00 3.34 H new ATOM 0 HG11 VAL A 40 -9.122 -3.906 -0.374 1.00 30.13 H new ATOM 0 HG12 VAL A 40 -7.351 -3.762 -0.476 1.00 30.13 H new ATOM 0 HG13 VAL A 40 -8.159 -3.701 1.108 1.00 30.13 H new ATOM 0 HG21 VAL A 40 -10.537 -1.892 0.124 1.00 61.32 H new ATOM 0 HG22 VAL A 40 -9.669 -1.570 1.644 1.00 61.32 H new ATOM 0 HG23 VAL A 40 -9.779 -0.305 0.397 1.00 61.32 H new ATOM 681 N VAL A 41 -4.801 -1.941 0.466 1.00 55.44 N ATOM 682 CA VAL A 41 -3.512 -2.297 -0.133 1.00 54.21 C ATOM 683 C VAL A 41 -3.488 -3.817 -0.355 1.00 73.40 C ATOM 684 O VAL A 41 -3.441 -4.588 0.604 1.00 23.21 O ATOM 685 CB VAL A 41 -2.331 -1.836 0.798 1.00 32.43 C ATOM 686 CG1 VAL A 41 -0.959 -2.203 0.201 1.00 64.33 C ATOM 687 CG2 VAL A 41 -2.433 -0.320 1.088 1.00 34.41 C ATOM 0 H VAL A 41 -4.816 -2.025 1.482 1.00 55.44 H new ATOM 0 HA VAL A 41 -3.385 -1.790 -1.090 1.00 54.21 H new ATOM 0 HB VAL A 41 -2.419 -2.372 1.743 1.00 32.43 H new ATOM 0 HG11 VAL A 41 -0.169 -1.868 0.873 1.00 64.33 H new ATOM 0 HG12 VAL A 41 -0.894 -3.284 0.075 1.00 64.33 H new ATOM 0 HG13 VAL A 41 -0.842 -1.717 -0.768 1.00 64.33 H new ATOM 0 HG21 VAL A 41 -1.609 -0.017 1.733 1.00 34.41 H new ATOM 0 HG22 VAL A 41 -2.383 0.234 0.151 1.00 34.41 H new ATOM 0 HG23 VAL A 41 -3.380 -0.107 1.585 1.00 34.41 H new ATOM 697 N GLU A 42 -3.544 -4.226 -1.632 1.00 64.14 N ATOM 698 CA GLU A 42 -3.648 -5.629 -2.036 1.00 2.13 C ATOM 699 C GLU A 42 -2.390 -6.023 -2.837 1.00 12.02 C ATOM 700 O GLU A 42 -2.242 -5.657 -4.006 1.00 2.03 O ATOM 701 CB GLU A 42 -4.937 -5.818 -2.868 1.00 44.43 C ATOM 702 CG GLU A 42 -5.205 -7.273 -3.305 1.00 40.15 C ATOM 703 CD GLU A 42 -6.411 -7.436 -4.236 1.00 23.00 C ATOM 704 OE1 GLU A 42 -7.015 -8.530 -4.261 1.00 21.14 O ATOM 705 OE2 GLU A 42 -6.743 -6.484 -4.984 1.00 65.45 O ATOM 0 H GLU A 42 -3.518 -3.580 -2.421 1.00 64.14 H new ATOM 0 HA GLU A 42 -3.707 -6.278 -1.162 1.00 2.13 H new ATOM 0 HB2 GLU A 42 -5.787 -5.464 -2.284 1.00 44.43 H new ATOM 0 HB3 GLU A 42 -4.877 -5.190 -3.757 1.00 44.43 H new ATOM 0 HG2 GLU A 42 -4.318 -7.659 -3.807 1.00 40.15 H new ATOM 0 HG3 GLU A 42 -5.361 -7.885 -2.416 1.00 40.15 H new ATOM 712 N VAL A 43 -1.512 -6.797 -2.193 1.00 63.51 N ATOM 713 CA VAL A 43 -0.175 -7.124 -2.691 1.00 14.01 C ATOM 714 C VAL A 43 -0.219 -8.513 -3.364 1.00 55.44 C ATOM 715 O VAL A 43 -0.282 -9.544 -2.690 1.00 32.13 O ATOM 716 CB VAL A 43 0.860 -7.092 -1.499 1.00 51.40 C ATOM 717 CG1 VAL A 43 2.298 -7.389 -1.972 1.00 40.54 C ATOM 718 CG2 VAL A 43 0.791 -5.743 -0.742 1.00 71.34 C ATOM 0 H VAL A 43 -1.717 -7.223 -1.289 1.00 63.51 H new ATOM 0 HA VAL A 43 0.146 -6.389 -3.430 1.00 14.01 H new ATOM 0 HB VAL A 43 0.580 -7.887 -0.808 1.00 51.40 H new ATOM 0 HG11 VAL A 43 2.976 -7.356 -1.119 1.00 40.54 H new ATOM 0 HG12 VAL A 43 2.334 -8.379 -2.427 1.00 40.54 H new ATOM 0 HG13 VAL A 43 2.601 -6.642 -2.705 1.00 40.54 H new ATOM 0 HG21 VAL A 43 1.513 -5.746 0.074 1.00 71.34 H new ATOM 0 HG22 VAL A 43 1.023 -4.928 -1.428 1.00 71.34 H new ATOM 0 HG23 VAL A 43 -0.212 -5.603 -0.338 1.00 71.34 H new ATOM 728 N HIS A 44 -0.222 -8.513 -4.705 1.00 45.00 N ATOM 729 CA HIS A 44 -0.264 -9.735 -5.521 1.00 62.10 C ATOM 730 C HIS A 44 1.164 -10.233 -5.762 1.00 64.10 C ATOM 731 O HIS A 44 1.894 -9.630 -6.542 1.00 70.22 O ATOM 732 CB HIS A 44 -0.946 -9.466 -6.894 1.00 74.50 C ATOM 733 CG HIS A 44 -2.392 -9.071 -6.838 1.00 44.32 C ATOM 734 ND1 HIS A 44 -3.044 -8.491 -7.901 1.00 30.12 N ATOM 735 CD2 HIS A 44 -3.326 -9.212 -5.870 1.00 62.32 C ATOM 736 CE1 HIS A 44 -4.304 -8.295 -7.593 1.00 22.11 C ATOM 737 NE2 HIS A 44 -4.504 -8.728 -6.370 1.00 71.11 N ATOM 0 H HIS A 44 -0.195 -7.657 -5.259 1.00 45.00 H new ATOM 0 HA HIS A 44 -0.843 -10.487 -4.985 1.00 62.10 H new ATOM 0 HB2 HIS A 44 -0.393 -8.678 -7.405 1.00 74.50 H new ATOM 0 HB3 HIS A 44 -0.858 -10.365 -7.505 1.00 74.50 H new ATOM 0 HD1 HIS A 44 -2.613 -8.250 -8.794 1.00 30.12 H new ATOM 0 HD2 HIS A 44 -3.171 -9.629 -4.886 1.00 62.32 H new ATOM 0 HE1 HIS A 44 -5.050 -7.853 -8.236 1.00 22.11 H new ATOM 746 N ILE A 45 1.566 -11.301 -5.061 1.00 21.24 N ATOM 747 CA ILE A 45 2.863 -11.964 -5.286 1.00 62.15 C ATOM 748 C ILE A 45 2.626 -13.464 -5.509 1.00 2.31 C ATOM 749 O ILE A 45 1.985 -14.116 -4.678 1.00 50.14 O ATOM 750 CB ILE A 45 3.873 -11.763 -4.089 1.00 12.24 C ATOM 751 CG1 ILE A 45 4.030 -10.252 -3.730 1.00 52.11 C ATOM 752 CG2 ILE A 45 5.248 -12.395 -4.428 1.00 33.14 C ATOM 753 CD1 ILE A 45 4.989 -9.966 -2.590 1.00 5.32 C ATOM 0 H ILE A 45 1.006 -11.730 -4.324 1.00 21.24 H new ATOM 0 HA ILE A 45 3.316 -11.505 -6.165 1.00 62.15 H new ATOM 0 HB ILE A 45 3.466 -12.270 -3.214 1.00 12.24 H new ATOM 0 HG12 ILE A 45 4.370 -9.716 -4.616 1.00 52.11 H new ATOM 0 HG13 ILE A 45 3.050 -9.851 -3.471 1.00 52.11 H new ATOM 0 HG21 ILE A 45 5.932 -12.247 -3.592 1.00 33.14 H new ATOM 0 HG22 ILE A 45 5.123 -13.462 -4.610 1.00 33.14 H new ATOM 0 HG23 ILE A 45 5.657 -11.920 -5.320 1.00 33.14 H new ATOM 0 HD11 ILE A 45 5.033 -8.891 -2.413 1.00 5.32 H new ATOM 0 HD12 ILE A 45 4.642 -10.469 -1.687 1.00 5.32 H new ATOM 0 HD13 ILE A 45 5.982 -10.332 -2.850 1.00 5.32 H new ATOM 765 N ASN A 46 3.106 -13.975 -6.665 1.00 21.01 N ATOM 766 CA ASN A 46 3.125 -15.424 -6.994 1.00 1.40 C ATOM 767 C ASN A 46 1.707 -16.027 -7.137 1.00 63.13 C ATOM 768 O ASN A 46 1.546 -17.252 -7.111 1.00 14.44 O ATOM 769 CB ASN A 46 3.987 -16.205 -5.946 1.00 53.42 C ATOM 770 CG ASN A 46 5.481 -15.880 -6.028 1.00 42.33 C ATOM 771 OD1 ASN A 46 6.015 -15.658 -7.111 1.00 53.44 O ATOM 772 ND2 ASN A 46 6.151 -15.824 -4.888 1.00 15.40 N ATOM 0 H ASN A 46 3.495 -13.390 -7.405 1.00 21.01 H new ATOM 0 HA ASN A 46 3.590 -15.530 -7.974 1.00 1.40 H new ATOM 0 HB2 ASN A 46 3.626 -15.973 -4.944 1.00 53.42 H new ATOM 0 HB3 ASN A 46 3.846 -17.275 -6.096 1.00 53.42 H new ATOM 0 HD21 ASN A 46 7.144 -15.590 -4.891 1.00 15.40 H new ATOM 0 HD22 ASN A 46 5.674 -16.015 -4.007 1.00 15.40 H new ATOM 779 N GLY A 47 0.700 -15.153 -7.347 1.00 1.04 N ATOM 780 CA GLY A 47 -0.709 -15.564 -7.464 1.00 41.25 C ATOM 781 C GLY A 47 -1.517 -15.283 -6.201 1.00 31.14 C ATOM 782 O GLY A 47 -2.750 -15.213 -6.252 1.00 3.34 O ATOM 0 H GLY A 47 0.843 -14.147 -7.439 1.00 1.04 H new ATOM 0 HA2 GLY A 47 -1.166 -15.042 -8.305 1.00 41.25 H new ATOM 0 HA3 GLY A 47 -0.754 -16.630 -7.688 1.00 41.25 H new ATOM 786 N GLU A 48 -0.809 -15.114 -5.068 1.00 51.21 N ATOM 787 CA GLU A 48 -1.411 -14.797 -3.763 1.00 22.04 C ATOM 788 C GLU A 48 -1.665 -13.288 -3.637 1.00 44.45 C ATOM 789 O GLU A 48 -0.955 -12.480 -4.241 1.00 24.13 O ATOM 790 CB GLU A 48 -0.473 -15.246 -2.622 1.00 0.32 C ATOM 791 CG GLU A 48 -0.170 -16.746 -2.606 1.00 4.41 C ATOM 792 CD GLU A 48 0.789 -17.135 -1.480 1.00 71.50 C ATOM 793 OE1 GLU A 48 0.316 -17.435 -0.363 1.00 24.20 O ATOM 794 OE2 GLU A 48 2.019 -17.134 -1.702 1.00 52.05 O ATOM 0 H GLU A 48 0.207 -15.195 -5.035 1.00 51.21 H new ATOM 0 HA GLU A 48 -2.360 -15.328 -3.690 1.00 22.04 H new ATOM 0 HB2 GLU A 48 0.466 -14.699 -2.704 1.00 0.32 H new ATOM 0 HB3 GLU A 48 -0.922 -14.968 -1.668 1.00 0.32 H new ATOM 0 HG2 GLU A 48 -1.101 -17.301 -2.494 1.00 4.41 H new ATOM 0 HG3 GLU A 48 0.261 -17.037 -3.564 1.00 4.41 H new ATOM 801 N ARG A 49 -2.673 -12.929 -2.837 1.00 24.12 N ATOM 802 CA ARG A 49 -3.047 -11.539 -2.548 1.00 12.45 C ATOM 803 C ARG A 49 -2.973 -11.291 -1.032 1.00 63.25 C ATOM 804 O ARG A 49 -3.493 -12.092 -0.243 1.00 34.23 O ATOM 805 CB ARG A 49 -4.473 -11.251 -3.106 1.00 14.23 C ATOM 806 CG ARG A 49 -5.569 -12.257 -2.671 1.00 74.42 C ATOM 807 CD ARG A 49 -6.900 -12.045 -3.413 1.00 0.55 C ATOM 808 NE ARG A 49 -7.942 -12.996 -2.983 1.00 54.43 N ATOM 809 CZ ARG A 49 -9.135 -13.154 -3.584 1.00 34.20 C ATOM 810 NH1 ARG A 49 -9.472 -12.441 -4.654 1.00 41.44 N ATOM 811 NH2 ARG A 49 -10.003 -14.026 -3.101 1.00 34.34 N ATOM 0 H ARG A 49 -3.265 -13.610 -2.361 1.00 24.12 H new ATOM 0 HA ARG A 49 -2.352 -10.857 -3.037 1.00 12.45 H new ATOM 0 HB2 ARG A 49 -4.774 -10.252 -2.791 1.00 14.23 H new ATOM 0 HB3 ARG A 49 -4.424 -11.240 -4.195 1.00 14.23 H new ATOM 0 HG2 ARG A 49 -5.216 -13.272 -2.850 1.00 74.42 H new ATOM 0 HG3 ARG A 49 -5.737 -12.163 -1.598 1.00 74.42 H new ATOM 0 HD2 ARG A 49 -7.249 -11.027 -3.243 1.00 0.55 H new ATOM 0 HD3 ARG A 49 -6.736 -12.151 -4.485 1.00 0.55 H new ATOM 0 HE ARG A 49 -7.743 -13.577 -2.169 1.00 54.43 H new ATOM 0 HH11 ARG A 49 -8.820 -11.756 -5.037 1.00 41.44 H new ATOM 0 HH12 ARG A 49 -10.383 -12.579 -5.092 1.00 41.44 H new ATOM 0 HH21 ARG A 49 -9.767 -14.576 -2.275 1.00 34.34 H new ATOM 0 HH22 ARG A 49 -10.909 -14.149 -3.554 1.00 34.34 H new ATOM 825 N ASP A 50 -2.278 -10.211 -0.635 1.00 51.53 N ATOM 826 CA ASP A 50 -2.274 -9.713 0.752 1.00 15.43 C ATOM 827 C ASP A 50 -3.108 -8.427 0.775 1.00 12.22 C ATOM 828 O ASP A 50 -2.638 -7.385 0.351 1.00 30.11 O ATOM 829 CB ASP A 50 -0.824 -9.411 1.213 1.00 4.21 C ATOM 830 CG ASP A 50 -0.754 -8.838 2.642 1.00 5.23 C ATOM 831 OD1 ASP A 50 -0.122 -7.773 2.852 1.00 0.10 O ATOM 832 OD2 ASP A 50 -1.319 -9.460 3.564 1.00 12.30 O ATOM 0 H ASP A 50 -1.702 -9.657 -1.269 1.00 51.53 H new ATOM 0 HA ASP A 50 -2.691 -10.460 1.427 1.00 15.43 H new ATOM 0 HB2 ASP A 50 -0.235 -10.327 1.165 1.00 4.21 H new ATOM 0 HB3 ASP A 50 -0.368 -8.703 0.521 1.00 4.21 H new ATOM 837 N GLU A 51 -4.303 -8.493 1.350 1.00 61.05 N ATOM 838 CA GLU A 51 -5.314 -7.431 1.220 1.00 62.51 C ATOM 839 C GLU A 51 -5.581 -6.794 2.586 1.00 43.12 C ATOM 840 O GLU A 51 -6.065 -7.462 3.509 1.00 12.11 O ATOM 841 CB GLU A 51 -6.614 -8.011 0.615 1.00 43.15 C ATOM 842 CG GLU A 51 -7.629 -6.940 0.190 1.00 63.31 C ATOM 843 CD GLU A 51 -8.957 -7.521 -0.306 1.00 61.23 C ATOM 844 OE1 GLU A 51 -9.996 -7.301 0.350 1.00 3.25 O ATOM 845 OE2 GLU A 51 -8.958 -8.214 -1.339 1.00 32.21 O ATOM 0 H GLU A 51 -4.606 -9.282 1.922 1.00 61.05 H new ATOM 0 HA GLU A 51 -4.941 -6.657 0.549 1.00 62.51 H new ATOM 0 HB2 GLU A 51 -6.360 -8.622 -0.251 1.00 43.15 H new ATOM 0 HB3 GLU A 51 -7.081 -8.672 1.345 1.00 43.15 H new ATOM 0 HG2 GLU A 51 -7.823 -6.279 1.035 1.00 63.31 H new ATOM 0 HG3 GLU A 51 -7.191 -6.329 -0.599 1.00 63.31 H new ATOM 852 N ILE A 52 -5.242 -5.505 2.713 1.00 5.21 N ATOM 853 CA ILE A 52 -5.331 -4.762 3.974 1.00 64.34 C ATOM 854 C ILE A 52 -6.304 -3.589 3.786 1.00 20.24 C ATOM 855 O ILE A 52 -5.976 -2.628 3.091 1.00 52.12 O ATOM 856 CB ILE A 52 -3.919 -4.200 4.412 1.00 52.03 C ATOM 857 CG1 ILE A 52 -2.797 -5.278 4.239 1.00 24.12 C ATOM 858 CG2 ILE A 52 -3.977 -3.679 5.876 1.00 24.55 C ATOM 859 CD1 ILE A 52 -1.392 -4.715 4.230 1.00 13.35 C ATOM 0 H ILE A 52 -4.895 -4.944 1.935 1.00 5.21 H new ATOM 0 HA ILE A 52 -5.684 -5.438 4.753 1.00 64.34 H new ATOM 0 HB ILE A 52 -3.667 -3.364 3.759 1.00 52.03 H new ATOM 0 HG12 ILE A 52 -2.880 -6.005 5.047 1.00 24.12 H new ATOM 0 HG13 ILE A 52 -2.967 -5.816 3.307 1.00 24.12 H new ATOM 0 HG21 ILE A 52 -2.999 -3.295 6.165 1.00 24.55 H new ATOM 0 HG22 ILE A 52 -4.716 -2.881 5.949 1.00 24.55 H new ATOM 0 HG23 ILE A 52 -4.257 -4.495 6.542 1.00 24.55 H new ATOM 0 HD11 ILE A 52 -0.675 -5.527 4.106 1.00 13.35 H new ATOM 0 HD12 ILE A 52 -1.288 -4.010 3.405 1.00 13.35 H new ATOM 0 HD13 ILE A 52 -1.200 -4.202 5.172 1.00 13.35 H new ATOM 871 N ARG A 53 -7.494 -3.690 4.382 1.00 64.40 N ATOM 872 CA ARG A 53 -8.484 -2.603 4.393 1.00 50.12 C ATOM 873 C ARG A 53 -8.158 -1.677 5.575 1.00 3.31 C ATOM 874 O ARG A 53 -8.023 -2.162 6.707 1.00 61.31 O ATOM 875 CB ARG A 53 -9.939 -3.151 4.549 1.00 31.34 C ATOM 876 CG ARG A 53 -10.511 -3.961 3.355 1.00 44.40 C ATOM 877 CD ARG A 53 -9.797 -5.297 3.103 1.00 13.14 C ATOM 878 NE ARG A 53 -9.696 -6.112 4.326 1.00 71.20 N ATOM 879 CZ ARG A 53 -9.320 -7.398 4.373 1.00 75.21 C ATOM 880 NH1 ARG A 53 -9.014 -8.056 3.260 1.00 21.23 N ATOM 881 NH2 ARG A 53 -9.243 -8.021 5.542 1.00 10.52 N ATOM 0 H ARG A 53 -7.802 -4.529 4.873 1.00 64.40 H new ATOM 0 HA ARG A 53 -8.434 -2.067 3.445 1.00 50.12 H new ATOM 0 HB2 ARG A 53 -9.971 -3.784 5.436 1.00 31.34 H new ATOM 0 HB3 ARG A 53 -10.602 -2.307 4.736 1.00 31.34 H new ATOM 0 HG2 ARG A 53 -11.568 -4.155 3.535 1.00 44.40 H new ATOM 0 HG3 ARG A 53 -10.448 -3.352 2.453 1.00 44.40 H new ATOM 0 HD2 ARG A 53 -10.336 -5.857 2.339 1.00 13.14 H new ATOM 0 HD3 ARG A 53 -8.798 -5.105 2.712 1.00 13.14 H new ATOM 0 HE ARG A 53 -9.932 -5.661 5.210 1.00 71.20 H new ATOM 0 HH11 ARG A 53 -9.064 -7.583 2.358 1.00 21.23 H new ATOM 0 HH12 ARG A 53 -8.729 -9.034 3.308 1.00 21.23 H new ATOM 0 HH21 ARG A 53 -9.470 -7.522 6.402 1.00 10.52 H new ATOM 0 HH22 ARG A 53 -8.957 -8.999 5.581 1.00 10.52 H new ATOM 895 N VAL A 54 -8.016 -0.366 5.319 1.00 31.32 N ATOM 896 CA VAL A 54 -7.860 0.646 6.381 1.00 43.34 C ATOM 897 C VAL A 54 -8.678 1.898 6.010 1.00 60.24 C ATOM 898 O VAL A 54 -8.745 2.268 4.838 1.00 24.31 O ATOM 899 CB VAL A 54 -6.341 1.002 6.659 1.00 63.54 C ATOM 900 CG1 VAL A 54 -5.721 1.933 5.587 1.00 45.13 C ATOM 901 CG2 VAL A 54 -6.162 1.554 8.084 1.00 2.22 C ATOM 0 H VAL A 54 -8.006 0.022 4.376 1.00 31.32 H new ATOM 0 HA VAL A 54 -8.242 0.229 7.313 1.00 43.34 H new ATOM 0 HB VAL A 54 -5.781 0.070 6.584 1.00 63.54 H new ATOM 0 HG11 VAL A 54 -4.680 2.136 5.839 1.00 45.13 H new ATOM 0 HG12 VAL A 54 -5.770 1.448 4.612 1.00 45.13 H new ATOM 0 HG13 VAL A 54 -6.276 2.871 5.555 1.00 45.13 H new ATOM 0 HG21 VAL A 54 -5.112 1.792 8.253 1.00 2.22 H new ATOM 0 HG22 VAL A 54 -6.762 2.456 8.203 1.00 2.22 H new ATOM 0 HG23 VAL A 54 -6.486 0.806 8.807 1.00 2.22 H new ATOM 911 N ARG A 55 -9.349 2.514 7.003 1.00 12.45 N ATOM 912 CA ARG A 55 -10.156 3.739 6.807 1.00 74.03 C ATOM 913 C ARG A 55 -9.867 4.730 7.944 1.00 71.15 C ATOM 914 O ARG A 55 -9.842 4.329 9.114 1.00 53.00 O ATOM 915 CB ARG A 55 -11.693 3.438 6.782 1.00 14.51 C ATOM 916 CG ARG A 55 -12.141 2.354 5.780 1.00 72.21 C ATOM 917 CD ARG A 55 -13.668 2.318 5.562 1.00 41.44 C ATOM 918 NE ARG A 55 -14.151 3.543 4.882 1.00 61.22 N ATOM 919 CZ ARG A 55 -15.053 4.410 5.368 1.00 62.12 C ATOM 920 NH1 ARG A 55 -15.612 4.229 6.559 1.00 64.10 N ATOM 921 NH2 ARG A 55 -15.390 5.467 4.643 1.00 31.52 N ATOM 0 H ARG A 55 -9.348 2.177 7.966 1.00 12.45 H new ATOM 0 HA ARG A 55 -9.877 4.161 5.842 1.00 74.03 H new ATOM 0 HB2 ARG A 55 -12.002 3.134 7.782 1.00 14.51 H new ATOM 0 HB3 ARG A 55 -12.223 4.362 6.552 1.00 14.51 H new ATOM 0 HG2 ARG A 55 -11.648 2.528 4.823 1.00 72.21 H new ATOM 0 HG3 ARG A 55 -11.809 1.379 6.137 1.00 72.21 H new ATOM 0 HD2 ARG A 55 -13.931 1.443 4.967 1.00 41.44 H new ATOM 0 HD3 ARG A 55 -14.171 2.212 6.523 1.00 41.44 H new ATOM 0 HE ARG A 55 -13.763 3.746 3.961 1.00 61.22 H new ATOM 0 HH11 ARG A 55 -15.358 3.418 7.124 1.00 64.10 H new ATOM 0 HH12 ARG A 55 -16.295 4.901 6.909 1.00 64.10 H new ATOM 0 HH21 ARG A 55 -14.965 5.614 3.727 1.00 31.52 H new ATOM 0 HH22 ARG A 55 -16.074 6.134 5.001 1.00 31.52 H new ATOM 935 N ASN A 56 -9.637 6.002 7.566 1.00 64.55 N ATOM 936 CA ASN A 56 -9.537 7.152 8.492 1.00 54.31 C ATOM 937 C ASN A 56 -8.399 6.948 9.519 1.00 54.13 C ATOM 938 O ASN A 56 -8.647 6.531 10.660 1.00 0.22 O ATOM 939 CB ASN A 56 -10.904 7.437 9.207 1.00 30.43 C ATOM 940 CG ASN A 56 -12.126 7.543 8.272 1.00 73.12 C ATOM 941 OD1 ASN A 56 -13.249 7.209 8.653 1.00 74.14 O ATOM 942 ND2 ASN A 56 -11.931 8.027 7.064 1.00 31.34 N ATOM 0 H ASN A 56 -9.513 6.267 6.589 1.00 64.55 H new ATOM 0 HA ASN A 56 -9.292 8.030 7.895 1.00 54.31 H new ATOM 0 HB2 ASN A 56 -11.089 6.644 9.931 1.00 30.43 H new ATOM 0 HB3 ASN A 56 -10.815 8.367 9.769 1.00 30.43 H new ATOM 0 HD21 ASN A 56 -12.718 8.132 6.423 1.00 31.34 H new ATOM 0 HD22 ASN A 56 -10.993 8.298 6.768 1.00 31.34 H new ATOM 949 N ILE A 57 -7.147 7.217 9.096 1.00 44.55 N ATOM 950 CA ILE A 57 -5.936 6.934 9.902 1.00 43.14 C ATOM 951 C ILE A 57 -4.839 8.008 9.707 1.00 22.24 C ATOM 952 O ILE A 57 -4.904 8.820 8.781 1.00 44.24 O ATOM 953 CB ILE A 57 -5.380 5.473 9.601 1.00 72.02 C ATOM 954 CG1 ILE A 57 -5.500 5.073 8.080 1.00 52.33 C ATOM 955 CG2 ILE A 57 -6.085 4.418 10.493 1.00 65.05 C ATOM 956 CD1 ILE A 57 -4.587 5.795 7.108 1.00 53.31 C ATOM 0 H ILE A 57 -6.944 7.636 8.188 1.00 44.55 H new ATOM 0 HA ILE A 57 -6.230 6.974 10.951 1.00 43.14 H new ATOM 0 HB ILE A 57 -4.317 5.492 9.843 1.00 72.02 H new ATOM 0 HG12 ILE A 57 -5.309 4.003 7.994 1.00 52.33 H new ATOM 0 HG13 ILE A 57 -6.530 5.239 7.765 1.00 52.33 H new ATOM 0 HG21 ILE A 57 -5.688 3.428 10.269 1.00 65.05 H new ATOM 0 HG22 ILE A 57 -5.906 4.651 11.543 1.00 65.05 H new ATOM 0 HG23 ILE A 57 -7.157 4.432 10.295 1.00 65.05 H new ATOM 0 HD11 ILE A 57 -4.769 5.429 6.098 1.00 53.31 H new ATOM 0 HD12 ILE A 57 -4.788 6.866 7.147 1.00 53.31 H new ATOM 0 HD13 ILE A 57 -3.548 5.610 7.380 1.00 53.31 H new ATOM 968 N SER A 58 -3.835 7.990 10.601 1.00 3.40 N ATOM 969 CA SER A 58 -2.691 8.926 10.587 1.00 12.22 C ATOM 970 C SER A 58 -1.599 8.431 9.621 1.00 11.41 C ATOM 971 O SER A 58 -1.684 7.312 9.098 1.00 15.42 O ATOM 972 CB SER A 58 -2.127 9.043 12.023 1.00 60.41 C ATOM 973 OG SER A 58 -3.167 9.302 12.954 1.00 52.42 O ATOM 0 H SER A 58 -3.792 7.316 11.366 1.00 3.40 H new ATOM 0 HA SER A 58 -3.025 9.905 10.242 1.00 12.22 H new ATOM 0 HB2 SER A 58 -1.613 8.121 12.293 1.00 60.41 H new ATOM 0 HB3 SER A 58 -1.388 9.843 12.064 1.00 60.41 H new ATOM 0 HG SER A 58 -3.649 8.470 13.146 1.00 52.42 H new ATOM 979 N LYS A 59 -0.551 9.258 9.398 1.00 41.43 N ATOM 980 CA LYS A 59 0.543 8.900 8.470 1.00 40.22 C ATOM 981 C LYS A 59 1.502 7.864 9.082 1.00 51.11 C ATOM 982 O LYS A 59 2.158 7.113 8.354 1.00 72.20 O ATOM 983 CB LYS A 59 1.273 10.162 7.913 1.00 70.03 C ATOM 984 CG LYS A 59 1.921 11.116 8.945 1.00 71.53 C ATOM 985 CD LYS A 59 3.333 10.680 9.406 1.00 52.34 C ATOM 986 CE LYS A 59 3.982 11.703 10.349 1.00 0.30 C ATOM 987 NZ LYS A 59 4.234 13.003 9.680 1.00 33.12 N ATOM 0 H LYS A 59 -0.442 10.169 9.844 1.00 41.43 H new ATOM 0 HA LYS A 59 0.090 8.413 7.607 1.00 40.22 H new ATOM 0 HB2 LYS A 59 2.051 9.827 7.227 1.00 70.03 H new ATOM 0 HB3 LYS A 59 0.556 10.736 7.326 1.00 70.03 H new ATOM 0 HG2 LYS A 59 1.984 12.114 8.512 1.00 71.53 H new ATOM 0 HG3 LYS A 59 1.271 11.187 9.817 1.00 71.53 H new ATOM 0 HD2 LYS A 59 3.266 9.716 9.910 1.00 52.34 H new ATOM 0 HD3 LYS A 59 3.970 10.539 8.533 1.00 52.34 H new ATOM 0 HE2 LYS A 59 3.335 11.860 11.212 1.00 0.30 H new ATOM 0 HE3 LYS A 59 4.923 11.302 10.725 1.00 0.30 H new ATOM 0 HZ1 LYS A 59 4.835 13.595 10.288 1.00 33.12 H new ATOM 0 HZ2 LYS A 59 4.714 12.839 8.772 1.00 33.12 H new ATOM 0 HZ3 LYS A 59 3.329 13.487 9.510 1.00 33.12 H new ATOM 1001 N GLU A 60 1.557 7.813 10.422 1.00 3.31 N ATOM 1002 CA GLU A 60 2.303 6.765 11.146 1.00 41.24 C ATOM 1003 C GLU A 60 1.542 5.421 11.116 1.00 30.24 C ATOM 1004 O GLU A 60 2.124 4.360 11.365 1.00 33.21 O ATOM 1005 CB GLU A 60 2.570 7.201 12.607 1.00 52.33 C ATOM 1006 CG GLU A 60 1.312 7.357 13.494 1.00 22.53 C ATOM 1007 CD GLU A 60 1.655 7.758 14.937 1.00 20.34 C ATOM 1008 OE1 GLU A 60 1.447 8.933 15.316 1.00 31.22 O ATOM 1009 OE2 GLU A 60 2.148 6.895 15.696 1.00 63.13 O ATOM 0 H GLU A 60 1.093 8.487 11.031 1.00 3.31 H new ATOM 0 HA GLU A 60 3.260 6.624 10.643 1.00 41.24 H new ATOM 0 HB2 GLU A 60 3.232 6.470 13.071 1.00 52.33 H new ATOM 0 HB3 GLU A 60 3.104 8.151 12.593 1.00 52.33 H new ATOM 0 HG2 GLU A 60 0.655 8.109 13.058 1.00 22.53 H new ATOM 0 HG3 GLU A 60 0.759 6.418 13.503 1.00 22.53 H new ATOM 1016 N GLU A 61 0.231 5.489 10.824 1.00 14.51 N ATOM 1017 CA GLU A 61 -0.650 4.309 10.773 1.00 44.25 C ATOM 1018 C GLU A 61 -0.660 3.704 9.353 1.00 53.50 C ATOM 1019 O GLU A 61 -0.578 2.482 9.194 1.00 61.33 O ATOM 1020 CB GLU A 61 -2.075 4.678 11.261 1.00 60.14 C ATOM 1021 CG GLU A 61 -2.104 5.316 12.673 1.00 74.25 C ATOM 1022 CD GLU A 61 -3.510 5.374 13.300 1.00 71.14 C ATOM 1023 OE1 GLU A 61 -4.204 6.405 13.169 1.00 63.14 O ATOM 1024 OE2 GLU A 61 -3.929 4.375 13.929 1.00 15.44 O ATOM 0 H GLU A 61 -0.248 6.365 10.616 1.00 14.51 H new ATOM 0 HA GLU A 61 -0.263 3.545 11.447 1.00 44.25 H new ATOM 0 HB2 GLU A 61 -2.525 5.371 10.550 1.00 60.14 H new ATOM 0 HB3 GLU A 61 -2.692 3.780 11.265 1.00 60.14 H new ATOM 0 HG2 GLU A 61 -1.446 4.749 13.331 1.00 74.25 H new ATOM 0 HG3 GLU A 61 -1.701 6.327 12.613 1.00 74.25 H new ATOM 1031 N LEU A 62 -0.725 4.571 8.309 1.00 71.34 N ATOM 1032 CA LEU A 62 -0.598 4.108 6.907 1.00 62.22 C ATOM 1033 C LEU A 62 0.832 3.633 6.619 1.00 10.34 C ATOM 1034 O LEU A 62 1.055 2.881 5.677 1.00 12.31 O ATOM 1035 CB LEU A 62 -1.081 5.183 5.878 1.00 32.24 C ATOM 1036 CG LEU A 62 -0.395 6.603 5.909 1.00 43.13 C ATOM 1037 CD1 LEU A 62 1.012 6.637 5.242 1.00 0.33 C ATOM 1038 CD2 LEU A 62 -1.320 7.702 5.319 1.00 73.31 C ATOM 0 H LEU A 62 -0.862 5.577 8.411 1.00 71.34 H new ATOM 0 HA LEU A 62 -1.264 3.254 6.782 1.00 62.22 H new ATOM 0 HB2 LEU A 62 -0.948 4.770 4.878 1.00 32.24 H new ATOM 0 HB3 LEU A 62 -2.152 5.327 6.024 1.00 32.24 H new ATOM 0 HG LEU A 62 -0.233 6.821 6.965 1.00 43.13 H new ATOM 0 HD11 LEU A 62 1.419 7.646 5.303 1.00 0.33 H new ATOM 0 HD12 LEU A 62 1.677 5.946 5.760 1.00 0.33 H new ATOM 0 HD13 LEU A 62 0.926 6.343 4.196 1.00 0.33 H new ATOM 0 HD21 LEU A 62 -0.811 8.665 5.358 1.00 73.31 H new ATOM 0 HD22 LEU A 62 -1.558 7.459 4.283 1.00 73.31 H new ATOM 0 HD23 LEU A 62 -2.240 7.754 5.901 1.00 73.31 H new ATOM 1050 N LYS A 63 1.796 4.097 7.450 1.00 42.04 N ATOM 1051 CA LYS A 63 3.188 3.612 7.455 1.00 10.52 C ATOM 1052 C LYS A 63 3.216 2.073 7.619 1.00 21.00 C ATOM 1053 O LYS A 63 4.054 1.380 7.010 1.00 60.14 O ATOM 1054 CB LYS A 63 3.991 4.295 8.616 1.00 13.43 C ATOM 1055 CG LYS A 63 5.399 4.829 8.248 1.00 54.02 C ATOM 1056 CD LYS A 63 6.390 3.755 7.712 1.00 53.11 C ATOM 1057 CE LYS A 63 6.604 2.570 8.679 1.00 12.11 C ATOM 1058 NZ LYS A 63 7.163 2.984 9.990 1.00 74.35 N ATOM 0 H LYS A 63 1.622 4.826 8.141 1.00 42.04 H new ATOM 0 HA LYS A 63 3.655 3.871 6.505 1.00 10.52 H new ATOM 0 HB2 LYS A 63 3.399 5.125 9.001 1.00 13.43 H new ATOM 0 HB3 LYS A 63 4.098 3.576 9.428 1.00 13.43 H new ATOM 0 HG2 LYS A 63 5.290 5.609 7.495 1.00 54.02 H new ATOM 0 HG3 LYS A 63 5.836 5.297 9.130 1.00 54.02 H new ATOM 0 HD2 LYS A 63 6.019 3.374 6.761 1.00 53.11 H new ATOM 0 HD3 LYS A 63 7.352 4.228 7.513 1.00 53.11 H new ATOM 0 HE2 LYS A 63 5.652 2.063 8.840 1.00 12.11 H new ATOM 0 HE3 LYS A 63 7.276 1.847 8.216 1.00 12.11 H new ATOM 0 HZ1 LYS A 63 7.284 2.147 10.595 1.00 74.35 H new ATOM 0 HZ2 LYS A 63 8.085 3.443 9.845 1.00 74.35 H new ATOM 0 HZ3 LYS A 63 6.512 3.652 10.450 1.00 74.35 H new ATOM 1072 N LYS A 64 2.274 1.556 8.436 1.00 14.00 N ATOM 1073 CA LYS A 64 2.155 0.122 8.695 1.00 4.35 C ATOM 1074 C LYS A 64 1.817 -0.642 7.393 1.00 62.54 C ATOM 1075 O LYS A 64 2.254 -1.772 7.227 1.00 23.12 O ATOM 1076 CB LYS A 64 1.076 -0.155 9.769 1.00 14.22 C ATOM 1077 CG LYS A 64 1.276 0.581 11.123 1.00 14.21 C ATOM 1078 CD LYS A 64 2.524 0.131 11.920 1.00 1.32 C ATOM 1079 CE LYS A 64 2.489 -1.358 12.329 1.00 71.41 C ATOM 1080 NZ LYS A 64 1.288 -1.711 13.133 1.00 32.21 N ATOM 0 H LYS A 64 1.583 2.124 8.927 1.00 14.00 H new ATOM 0 HA LYS A 64 3.116 -0.233 9.069 1.00 4.35 H new ATOM 0 HB2 LYS A 64 0.104 0.125 9.363 1.00 14.22 H new ATOM 0 HB3 LYS A 64 1.045 -1.228 9.960 1.00 14.22 H new ATOM 0 HG2 LYS A 64 1.349 1.652 10.933 1.00 14.21 H new ATOM 0 HG3 LYS A 64 0.391 0.426 11.740 1.00 14.21 H new ATOM 0 HD2 LYS A 64 3.415 0.314 11.319 1.00 1.32 H new ATOM 0 HD3 LYS A 64 2.613 0.744 12.817 1.00 1.32 H new ATOM 0 HE2 LYS A 64 2.514 -1.976 11.432 1.00 71.41 H new ATOM 0 HE3 LYS A 64 3.386 -1.593 12.903 1.00 71.41 H new ATOM 0 HZ1 LYS A 64 1.352 -2.704 13.435 1.00 32.21 H new ATOM 0 HZ2 LYS A 64 1.238 -1.097 13.971 1.00 32.21 H new ATOM 0 HZ3 LYS A 64 0.433 -1.580 12.556 1.00 32.21 H new ATOM 1094 N LEU A 65 1.080 0.014 6.463 1.00 71.20 N ATOM 1095 CA LEU A 65 0.749 -0.575 5.143 1.00 25.12 C ATOM 1096 C LEU A 65 2.043 -0.867 4.355 1.00 14.11 C ATOM 1097 O LEU A 65 2.220 -1.971 3.830 1.00 74.50 O ATOM 1098 CB LEU A 65 -0.170 0.377 4.326 1.00 10.54 C ATOM 1099 CG LEU A 65 -1.500 0.807 5.021 1.00 22.42 C ATOM 1100 CD1 LEU A 65 -2.258 1.849 4.165 1.00 61.44 C ATOM 1101 CD2 LEU A 65 -2.382 -0.418 5.349 1.00 13.13 C ATOM 0 H LEU A 65 0.704 0.952 6.604 1.00 71.20 H new ATOM 0 HA LEU A 65 0.213 -1.509 5.309 1.00 25.12 H new ATOM 0 HB2 LEU A 65 0.396 1.276 4.082 1.00 10.54 H new ATOM 0 HB3 LEU A 65 -0.417 -0.110 3.383 1.00 10.54 H new ATOM 0 HG LEU A 65 -1.248 1.283 5.969 1.00 22.42 H new ATOM 0 HD11 LEU A 65 -3.181 2.133 4.670 1.00 61.44 H new ATOM 0 HD12 LEU A 65 -1.633 2.732 4.028 1.00 61.44 H new ATOM 0 HD13 LEU A 65 -2.495 1.418 3.192 1.00 61.44 H new ATOM 0 HD21 LEU A 65 -3.301 -0.086 5.832 1.00 13.13 H new ATOM 0 HD22 LEU A 65 -2.627 -0.947 4.428 1.00 13.13 H new ATOM 0 HD23 LEU A 65 -1.841 -1.087 6.019 1.00 13.13 H new ATOM 1113 N LEU A 66 2.957 0.131 4.353 1.00 61.02 N ATOM 1114 CA LEU A 66 4.272 0.049 3.671 1.00 13.23 C ATOM 1115 C LEU A 66 5.092 -1.133 4.208 1.00 3.43 C ATOM 1116 O LEU A 66 5.675 -1.910 3.429 1.00 12.30 O ATOM 1117 CB LEU A 66 5.128 1.342 3.866 1.00 44.01 C ATOM 1118 CG LEU A 66 4.704 2.638 3.112 1.00 33.14 C ATOM 1119 CD1 LEU A 66 3.340 3.169 3.574 1.00 71.14 C ATOM 1120 CD2 LEU A 66 5.793 3.718 3.271 1.00 11.21 C ATOM 0 H LEU A 66 2.803 1.021 4.827 1.00 61.02 H new ATOM 0 HA LEU A 66 4.050 -0.079 2.611 1.00 13.23 H new ATOM 0 HB2 LEU A 66 5.145 1.570 4.932 1.00 44.01 H new ATOM 0 HB3 LEU A 66 6.152 1.109 3.573 1.00 44.01 H new ATOM 0 HG LEU A 66 4.597 2.383 2.058 1.00 33.14 H new ATOM 0 HD11 LEU A 66 3.094 4.073 3.016 1.00 71.14 H new ATOM 0 HD12 LEU A 66 2.576 2.413 3.396 1.00 71.14 H new ATOM 0 HD13 LEU A 66 3.381 3.399 4.639 1.00 71.14 H new ATOM 0 HD21 LEU A 66 5.490 4.621 2.741 1.00 11.21 H new ATOM 0 HD22 LEU A 66 5.928 3.946 4.328 1.00 11.21 H new ATOM 0 HD23 LEU A 66 6.732 3.352 2.856 1.00 11.21 H new ATOM 1132 N GLU A 67 5.151 -1.243 5.544 1.00 22.23 N ATOM 1133 CA GLU A 67 5.975 -2.263 6.198 1.00 22.41 C ATOM 1134 C GLU A 67 5.381 -3.672 5.994 1.00 62.02 C ATOM 1135 O GLU A 67 6.123 -4.639 5.922 1.00 45.14 O ATOM 1136 CB GLU A 67 6.194 -1.952 7.702 1.00 42.11 C ATOM 1137 CG GLU A 67 4.999 -2.222 8.617 1.00 2.55 C ATOM 1138 CD GLU A 67 5.290 -1.942 10.091 1.00 22.41 C ATOM 1139 OE1 GLU A 67 5.535 -0.773 10.439 1.00 61.14 O ATOM 1140 OE2 GLU A 67 5.253 -2.885 10.908 1.00 0.14 O ATOM 0 H GLU A 67 4.639 -0.639 6.188 1.00 22.23 H new ATOM 0 HA GLU A 67 6.956 -2.243 5.723 1.00 22.41 H new ATOM 0 HB2 GLU A 67 7.040 -2.541 8.056 1.00 42.11 H new ATOM 0 HB3 GLU A 67 6.473 -0.903 7.800 1.00 42.11 H new ATOM 0 HG2 GLU A 67 4.159 -1.606 8.297 1.00 2.55 H new ATOM 0 HG3 GLU A 67 4.693 -3.262 8.506 1.00 2.55 H new ATOM 1147 N ARG A 68 4.039 -3.774 5.856 1.00 1.22 N ATOM 1148 CA ARG A 68 3.373 -5.061 5.549 1.00 45.43 C ATOM 1149 C ARG A 68 3.795 -5.570 4.161 1.00 44.53 C ATOM 1150 O ARG A 68 3.966 -6.781 3.967 1.00 12.24 O ATOM 1151 CB ARG A 68 1.830 -4.937 5.620 1.00 4.44 C ATOM 1152 CG ARG A 68 1.232 -4.579 7.003 1.00 32.05 C ATOM 1153 CD ARG A 68 1.278 -5.707 8.047 1.00 73.44 C ATOM 1154 NE ARG A 68 2.649 -6.127 8.394 1.00 5.15 N ATOM 1155 CZ ARG A 68 3.427 -5.578 9.345 1.00 2.42 C ATOM 1156 NH1 ARG A 68 2.994 -4.569 10.092 1.00 61.13 N ATOM 1157 NH2 ARG A 68 4.644 -6.061 9.540 1.00 25.23 N ATOM 0 H ARG A 68 3.399 -2.985 5.952 1.00 1.22 H new ATOM 0 HA ARG A 68 3.689 -5.780 6.305 1.00 45.43 H new ATOM 0 HB2 ARG A 68 1.515 -4.178 4.904 1.00 4.44 H new ATOM 0 HB3 ARG A 68 1.396 -5.882 5.294 1.00 4.44 H new ATOM 0 HG2 ARG A 68 1.767 -3.716 7.400 1.00 32.05 H new ATOM 0 HG3 ARG A 68 0.194 -4.275 6.865 1.00 32.05 H new ATOM 0 HD2 ARG A 68 0.767 -5.376 8.951 1.00 73.44 H new ATOM 0 HD3 ARG A 68 0.727 -6.567 7.666 1.00 73.44 H new ATOM 0 HE ARG A 68 3.043 -6.905 7.865 1.00 5.15 H new ATOM 0 HH11 ARG A 68 2.055 -4.196 9.950 1.00 61.13 H new ATOM 0 HH12 ARG A 68 3.600 -4.167 10.807 1.00 61.13 H new ATOM 0 HH21 ARG A 68 4.981 -6.839 8.973 1.00 25.23 H new ATOM 0 HH22 ARG A 68 5.245 -5.655 10.257 1.00 25.23 H new ATOM 1171 N ILE A 69 3.965 -4.619 3.217 1.00 34.44 N ATOM 1172 CA ILE A 69 4.398 -4.908 1.839 1.00 43.13 C ATOM 1173 C ILE A 69 5.847 -5.427 1.842 1.00 2.41 C ATOM 1174 O ILE A 69 6.130 -6.464 1.218 1.00 3.44 O ATOM 1175 CB ILE A 69 4.289 -3.631 0.913 1.00 64.24 C ATOM 1176 CG1 ILE A 69 2.839 -3.056 0.938 1.00 4.12 C ATOM 1177 CG2 ILE A 69 4.742 -3.935 -0.543 1.00 34.44 C ATOM 1178 CD1 ILE A 69 2.678 -1.709 0.257 1.00 10.04 C ATOM 0 H ILE A 69 3.804 -3.627 3.393 1.00 34.44 H new ATOM 0 HA ILE A 69 3.734 -5.673 1.435 1.00 43.13 H new ATOM 0 HB ILE A 69 4.966 -2.876 1.311 1.00 64.24 H new ATOM 0 HG12 ILE A 69 2.171 -3.772 0.459 1.00 4.12 H new ATOM 0 HG13 ILE A 69 2.517 -2.964 1.975 1.00 4.12 H new ATOM 0 HG21 ILE A 69 4.652 -3.033 -1.148 1.00 34.44 H new ATOM 0 HG22 ILE A 69 5.780 -4.268 -0.539 1.00 34.44 H new ATOM 0 HG23 ILE A 69 4.112 -4.718 -0.964 1.00 34.44 H new ATOM 0 HD11 ILE A 69 1.638 -1.389 0.324 1.00 10.04 H new ATOM 0 HD12 ILE A 69 3.316 -0.974 0.748 1.00 10.04 H new ATOM 0 HD13 ILE A 69 2.964 -1.795 -0.791 1.00 10.04 H new ATOM 1190 N ARG A 70 6.762 -4.717 2.570 1.00 14.01 N ATOM 1191 CA ARG A 70 8.189 -5.101 2.610 1.00 12.12 C ATOM 1192 C ARG A 70 8.352 -6.521 3.189 1.00 2.30 C ATOM 1193 O ARG A 70 9.170 -7.289 2.690 1.00 40.10 O ATOM 1194 CB ARG A 70 9.100 -4.080 3.367 1.00 53.13 C ATOM 1195 CG ARG A 70 8.988 -4.086 4.905 1.00 72.04 C ATOM 1196 CD ARG A 70 10.053 -3.227 5.615 1.00 40.53 C ATOM 1197 NE ARG A 70 11.405 -3.808 5.500 1.00 14.22 N ATOM 1198 CZ ARG A 70 12.003 -4.596 6.420 1.00 52.14 C ATOM 1199 NH1 ARG A 70 11.392 -4.929 7.551 1.00 1.33 N ATOM 1200 NH2 ARG A 70 13.213 -5.068 6.177 1.00 11.52 N ATOM 0 H ARG A 70 6.532 -3.892 3.124 1.00 14.01 H new ATOM 0 HA ARG A 70 8.533 -5.091 1.576 1.00 12.12 H new ATOM 0 HB2 ARG A 70 10.137 -4.279 3.097 1.00 53.13 H new ATOM 0 HB3 ARG A 70 8.864 -3.078 3.009 1.00 53.13 H new ATOM 0 HG2 ARG A 70 7.999 -3.727 5.188 1.00 72.04 H new ATOM 0 HG3 ARG A 70 9.068 -5.113 5.261 1.00 72.04 H new ATOM 0 HD2 ARG A 70 10.053 -2.224 5.188 1.00 40.53 H new ATOM 0 HD3 ARG A 70 9.792 -3.125 6.668 1.00 40.53 H new ATOM 0 HE ARG A 70 11.933 -3.596 4.653 1.00 14.22 H new ATOM 0 HH11 ARG A 70 10.450 -4.588 7.741 1.00 1.33 H new ATOM 0 HH12 ARG A 70 11.865 -5.525 8.230 1.00 1.33 H new ATOM 0 HH21 ARG A 70 13.685 -4.836 5.303 1.00 11.52 H new ATOM 0 HH22 ARG A 70 13.675 -5.664 6.864 1.00 11.52 H new ATOM 1214 N GLU A 71 7.509 -6.885 4.191 1.00 55.31 N ATOM 1215 CA GLU A 71 7.520 -8.242 4.781 1.00 74.30 C ATOM 1216 C GLU A 71 7.230 -9.307 3.706 1.00 23.35 C ATOM 1217 O GLU A 71 7.851 -10.366 3.708 1.00 20.43 O ATOM 1218 CB GLU A 71 6.493 -8.389 5.941 1.00 14.51 C ATOM 1219 CG GLU A 71 6.674 -7.419 7.122 1.00 50.13 C ATOM 1220 CD GLU A 71 8.083 -7.426 7.744 1.00 22.24 C ATOM 1221 OE1 GLU A 71 8.419 -8.394 8.457 1.00 52.04 O ATOM 1222 OE2 GLU A 71 8.856 -6.455 7.537 1.00 41.10 O ATOM 0 H GLU A 71 6.818 -6.258 4.603 1.00 55.31 H new ATOM 0 HA GLU A 71 8.518 -8.395 5.191 1.00 74.30 H new ATOM 0 HB2 GLU A 71 5.491 -8.253 5.534 1.00 14.51 H new ATOM 0 HB3 GLU A 71 6.547 -9.409 6.321 1.00 14.51 H new ATOM 0 HG2 GLU A 71 6.445 -6.408 6.784 1.00 50.13 H new ATOM 0 HG3 GLU A 71 5.948 -7.669 7.896 1.00 50.13 H new ATOM 1229 N LYS A 72 6.313 -8.984 2.763 1.00 32.22 N ATOM 1230 CA LYS A 72 5.869 -9.932 1.723 1.00 63.52 C ATOM 1231 C LYS A 72 6.954 -10.094 0.640 1.00 62.22 C ATOM 1232 O LYS A 72 7.366 -11.216 0.323 1.00 64.15 O ATOM 1233 CB LYS A 72 4.506 -9.502 1.083 1.00 32.15 C ATOM 1234 CG LYS A 72 3.332 -9.315 2.082 1.00 31.40 C ATOM 1235 CD LYS A 72 3.310 -10.382 3.201 1.00 74.11 C ATOM 1236 CE LYS A 72 2.102 -10.258 4.143 1.00 51.52 C ATOM 1237 NZ LYS A 72 1.924 -8.873 4.661 1.00 40.31 N ATOM 0 H LYS A 72 5.867 -8.069 2.705 1.00 32.22 H new ATOM 0 HA LYS A 72 5.709 -10.896 2.206 1.00 63.52 H new ATOM 0 HB2 LYS A 72 4.656 -8.566 0.545 1.00 32.15 H new ATOM 0 HB3 LYS A 72 4.218 -10.251 0.346 1.00 32.15 H new ATOM 0 HG2 LYS A 72 3.402 -8.325 2.534 1.00 31.40 H new ATOM 0 HG3 LYS A 72 2.389 -9.351 1.536 1.00 31.40 H new ATOM 0 HD2 LYS A 72 3.306 -11.373 2.747 1.00 74.11 H new ATOM 0 HD3 LYS A 72 4.226 -10.303 3.786 1.00 74.11 H new ATOM 0 HE2 LYS A 72 1.199 -10.564 3.614 1.00 51.52 H new ATOM 0 HE3 LYS A 72 2.227 -10.943 4.982 1.00 51.52 H new ATOM 0 HZ1 LYS A 72 1.650 -8.910 5.664 1.00 40.31 H new ATOM 0 HZ2 LYS A 72 2.817 -8.349 4.565 1.00 40.31 H new ATOM 0 HZ3 LYS A 72 1.180 -8.392 4.117 1.00 40.31 H new ATOM 1251 N ILE A 73 7.452 -8.951 0.117 1.00 42.22 N ATOM 1252 CA ILE A 73 8.428 -8.944 -0.997 1.00 52.21 C ATOM 1253 C ILE A 73 9.777 -9.582 -0.568 1.00 72.30 C ATOM 1254 O ILE A 73 10.480 -10.172 -1.395 1.00 20.43 O ATOM 1255 CB ILE A 73 8.610 -7.484 -1.619 1.00 64.12 C ATOM 1256 CG1 ILE A 73 9.251 -6.449 -0.623 1.00 45.34 C ATOM 1257 CG2 ILE A 73 7.241 -6.954 -2.134 1.00 55.23 C ATOM 1258 CD1 ILE A 73 10.773 -6.357 -0.629 1.00 15.10 C ATOM 0 H ILE A 73 7.194 -8.021 0.448 1.00 42.22 H new ATOM 0 HA ILE A 73 8.024 -9.566 -1.795 1.00 52.21 H new ATOM 0 HB ILE A 73 9.312 -7.585 -2.447 1.00 64.12 H new ATOM 0 HG12 ILE A 73 8.848 -5.462 -0.850 1.00 45.34 H new ATOM 0 HG13 ILE A 73 8.928 -6.701 0.387 1.00 45.34 H new ATOM 0 HG21 ILE A 73 7.372 -5.958 -2.557 1.00 55.23 H new ATOM 0 HG22 ILE A 73 6.856 -7.626 -2.901 1.00 55.23 H new ATOM 0 HG23 ILE A 73 6.534 -6.906 -1.305 1.00 55.23 H new ATOM 0 HD11 ILE A 73 11.095 -5.611 0.098 1.00 15.10 H new ATOM 0 HD12 ILE A 73 11.197 -7.326 -0.367 1.00 15.10 H new ATOM 0 HD13 ILE A 73 11.116 -6.068 -1.622 1.00 15.10 H new ATOM 1270 N GLU A 74 10.106 -9.474 0.741 1.00 24.43 N ATOM 1271 CA GLU A 74 11.316 -10.087 1.333 1.00 64.32 C ATOM 1272 C GLU A 74 11.122 -11.600 1.529 1.00 30.31 C ATOM 1273 O GLU A 74 11.953 -12.403 1.081 1.00 72.30 O ATOM 1274 CB GLU A 74 11.646 -9.423 2.698 1.00 73.12 C ATOM 1275 CG GLU A 74 12.117 -7.961 2.613 1.00 2.04 C ATOM 1276 CD GLU A 74 13.497 -7.794 1.969 1.00 4.40 C ATOM 1277 OE1 GLU A 74 13.575 -7.465 0.773 1.00 72.11 O ATOM 1278 OE2 GLU A 74 14.507 -7.974 2.672 1.00 31.13 O ATOM 0 H GLU A 74 9.539 -8.959 1.415 1.00 24.43 H new ATOM 0 HA GLU A 74 12.146 -9.926 0.645 1.00 64.32 H new ATOM 0 HB2 GLU A 74 10.759 -9.467 3.330 1.00 73.12 H new ATOM 0 HB3 GLU A 74 12.420 -10.010 3.193 1.00 73.12 H new ATOM 0 HG2 GLU A 74 11.388 -7.386 2.042 1.00 2.04 H new ATOM 0 HG3 GLU A 74 12.141 -7.537 3.617 1.00 2.04 H new ATOM 1285 N ARG A 75 10.013 -11.966 2.197 1.00 72.43 N ATOM 1286 CA ARG A 75 9.717 -13.352 2.606 1.00 55.32 C ATOM 1287 C ARG A 75 9.604 -14.282 1.383 1.00 42.32 C ATOM 1288 O ARG A 75 10.167 -15.386 1.366 1.00 60.54 O ATOM 1289 CB ARG A 75 8.406 -13.356 3.422 1.00 41.14 C ATOM 1290 CG ARG A 75 7.994 -14.710 4.025 1.00 34.12 C ATOM 1291 CD ARG A 75 6.593 -14.652 4.660 1.00 24.10 C ATOM 1292 NE ARG A 75 5.593 -14.200 3.682 1.00 73.42 N ATOM 1293 CZ ARG A 75 4.269 -14.173 3.863 1.00 3.33 C ATOM 1294 NH1 ARG A 75 3.707 -14.576 5.006 1.00 74.35 N ATOM 1295 NH2 ARG A 75 3.507 -13.765 2.864 1.00 30.32 N ATOM 0 H ARG A 75 9.289 -11.301 2.471 1.00 72.43 H new ATOM 0 HA ARG A 75 10.534 -13.729 3.221 1.00 55.32 H new ATOM 0 HB2 ARG A 75 8.503 -12.634 4.233 1.00 41.14 H new ATOM 0 HB3 ARG A 75 7.599 -13.006 2.778 1.00 41.14 H new ATOM 0 HG2 ARG A 75 8.009 -15.474 3.247 1.00 34.12 H new ATOM 0 HG3 ARG A 75 8.722 -15.009 4.779 1.00 34.12 H new ATOM 0 HD2 ARG A 75 6.319 -15.637 5.037 1.00 24.10 H new ATOM 0 HD3 ARG A 75 6.604 -13.975 5.514 1.00 24.10 H new ATOM 0 HE ARG A 75 5.943 -13.876 2.780 1.00 73.42 H new ATOM 0 HH11 ARG A 75 4.292 -14.916 5.770 1.00 74.35 H new ATOM 0 HH12 ARG A 75 2.693 -14.544 5.115 1.00 74.35 H new ATOM 0 HH21 ARG A 75 3.932 -13.480 1.982 1.00 30.32 H new ATOM 0 HH22 ARG A 75 2.494 -13.735 2.975 1.00 30.32 H new ATOM 1309 N GLU A 76 8.885 -13.801 0.355 1.00 24.13 N ATOM 1310 CA GLU A 76 8.751 -14.490 -0.941 1.00 21.22 C ATOM 1311 C GLU A 76 10.079 -14.417 -1.726 1.00 53.01 C ATOM 1312 O GLU A 76 10.500 -15.408 -2.337 1.00 34.34 O ATOM 1313 CB GLU A 76 7.566 -13.881 -1.769 1.00 43.20 C ATOM 1314 CG GLU A 76 6.143 -14.381 -1.388 1.00 2.23 C ATOM 1315 CD GLU A 76 5.729 -14.119 0.074 1.00 42.45 C ATOM 1316 OE1 GLU A 76 5.032 -13.117 0.350 1.00 60.44 O ATOM 1317 OE2 GLU A 76 6.090 -14.928 0.954 1.00 5.11 O ATOM 0 H GLU A 76 8.377 -12.918 0.399 1.00 24.13 H new ATOM 0 HA GLU A 76 8.524 -15.540 -0.759 1.00 21.22 H new ATOM 0 HB2 GLU A 76 7.591 -12.797 -1.659 1.00 43.20 H new ATOM 0 HB3 GLU A 76 7.736 -14.098 -2.824 1.00 43.20 H new ATOM 0 HG2 GLU A 76 5.418 -13.902 -2.046 1.00 2.23 H new ATOM 0 HG3 GLU A 76 6.088 -15.453 -1.579 1.00 2.23 H new ATOM 1324 N GLY A 77 10.732 -13.236 -1.680 1.00 35.14 N ATOM 1325 CA GLY A 77 11.951 -12.982 -2.458 1.00 24.12 C ATOM 1326 C GLY A 77 11.686 -13.075 -3.955 1.00 60.01 C ATOM 1327 O GLY A 77 12.472 -13.658 -4.712 1.00 1.12 O ATOM 0 H GLY A 77 10.430 -12.446 -1.110 1.00 35.14 H new ATOM 0 HA2 GLY A 77 12.339 -11.992 -2.217 1.00 24.12 H new ATOM 0 HA3 GLY A 77 12.720 -13.702 -2.178 1.00 24.12 H new ATOM 1331 N SER A 78 10.564 -12.462 -4.363 1.00 75.30 N ATOM 1332 CA SER A 78 9.989 -12.620 -5.707 1.00 30.43 C ATOM 1333 C SER A 78 9.837 -11.260 -6.402 1.00 12.03 C ATOM 1334 O SER A 78 9.622 -10.237 -5.742 1.00 32.14 O ATOM 1335 CB SER A 78 8.610 -13.307 -5.586 1.00 52.14 C ATOM 1336 OG SER A 78 7.968 -13.451 -6.842 1.00 74.51 O ATOM 0 H SER A 78 10.026 -11.837 -3.763 1.00 75.30 H new ATOM 0 HA SER A 78 10.659 -13.233 -6.309 1.00 30.43 H new ATOM 0 HB2 SER A 78 8.735 -14.289 -5.130 1.00 52.14 H new ATOM 0 HB3 SER A 78 7.974 -12.724 -4.920 1.00 52.14 H new ATOM 0 HG SER A 78 7.362 -14.221 -6.813 1.00 74.51 H new ATOM 1342 N SER A 79 9.927 -11.281 -7.745 1.00 21.51 N ATOM 1343 CA SER A 79 9.708 -10.101 -8.607 1.00 14.42 C ATOM 1344 C SER A 79 8.270 -10.090 -9.179 1.00 35.33 C ATOM 1345 O SER A 79 7.909 -9.191 -9.949 1.00 22.33 O ATOM 1346 CB SER A 79 10.736 -10.105 -9.765 1.00 11.04 C ATOM 1347 OG SER A 79 12.064 -10.199 -9.275 1.00 54.02 O ATOM 0 H SER A 79 10.156 -12.126 -8.269 1.00 21.51 H new ATOM 0 HA SER A 79 9.840 -9.203 -8.003 1.00 14.42 H new ATOM 0 HB2 SER A 79 10.532 -10.943 -10.432 1.00 11.04 H new ATOM 0 HB3 SER A 79 10.627 -9.194 -10.354 1.00 11.04 H new ATOM 0 HG SER A 79 12.691 -10.201 -10.028 1.00 54.02 H new ATOM 1353 N GLU A 80 7.455 -11.084 -8.766 1.00 5.10 N ATOM 1354 CA GLU A 80 6.064 -11.275 -9.236 1.00 53.50 C ATOM 1355 C GLU A 80 5.093 -10.388 -8.403 1.00 11.42 C ATOM 1356 O GLU A 80 3.976 -10.793 -8.070 1.00 62.54 O ATOM 1357 CB GLU A 80 5.711 -12.800 -9.115 1.00 2.41 C ATOM 1358 CG GLU A 80 4.404 -13.255 -9.817 1.00 53.21 C ATOM 1359 CD GLU A 80 4.437 -13.165 -11.354 1.00 1.24 C ATOM 1360 OE1 GLU A 80 4.658 -14.204 -12.019 1.00 3.30 O ATOM 1361 OE2 GLU A 80 4.225 -12.065 -11.907 1.00 51.52 O ATOM 0 H GLU A 80 7.748 -11.787 -8.087 1.00 5.10 H new ATOM 0 HA GLU A 80 5.962 -10.970 -10.277 1.00 53.50 H new ATOM 0 HB2 GLU A 80 6.540 -13.378 -9.525 1.00 2.41 H new ATOM 0 HB3 GLU A 80 5.638 -13.053 -8.057 1.00 2.41 H new ATOM 0 HG2 GLU A 80 4.193 -14.285 -9.531 1.00 53.21 H new ATOM 0 HG3 GLU A 80 3.578 -12.647 -9.448 1.00 53.21 H new ATOM 1368 N VAL A 81 5.519 -9.144 -8.128 1.00 5.21 N ATOM 1369 CA VAL A 81 4.845 -8.229 -7.188 1.00 43.21 C ATOM 1370 C VAL A 81 3.976 -7.214 -7.956 1.00 13.14 C ATOM 1371 O VAL A 81 4.452 -6.575 -8.902 1.00 11.33 O ATOM 1372 CB VAL A 81 5.902 -7.457 -6.307 1.00 12.34 C ATOM 1373 CG1 VAL A 81 5.211 -6.553 -5.256 1.00 60.22 C ATOM 1374 CG2 VAL A 81 6.896 -8.441 -5.642 1.00 70.34 C ATOM 0 H VAL A 81 6.351 -8.739 -8.557 1.00 5.21 H new ATOM 0 HA VAL A 81 4.208 -8.826 -6.535 1.00 43.21 H new ATOM 0 HB VAL A 81 6.473 -6.806 -6.969 1.00 12.34 H new ATOM 0 HG11 VAL A 81 5.968 -6.036 -4.667 1.00 60.22 H new ATOM 0 HG12 VAL A 81 4.583 -5.820 -5.763 1.00 60.22 H new ATOM 0 HG13 VAL A 81 4.595 -7.166 -4.598 1.00 60.22 H new ATOM 0 HG21 VAL A 81 7.613 -7.883 -5.041 1.00 70.34 H new ATOM 0 HG22 VAL A 81 6.349 -9.134 -5.003 1.00 70.34 H new ATOM 0 HG23 VAL A 81 7.426 -9.000 -6.413 1.00 70.34 H new ATOM 1384 N GLU A 82 2.704 -7.087 -7.538 1.00 5.43 N ATOM 1385 CA GLU A 82 1.764 -6.089 -8.057 1.00 11.24 C ATOM 1386 C GLU A 82 0.958 -5.526 -6.877 1.00 62.53 C ATOM 1387 O GLU A 82 0.063 -6.199 -6.365 1.00 51.32 O ATOM 1388 CB GLU A 82 0.806 -6.716 -9.106 1.00 13.10 C ATOM 1389 CG GLU A 82 -0.149 -5.692 -9.759 1.00 5.10 C ATOM 1390 CD GLU A 82 -1.202 -6.336 -10.666 1.00 74.41 C ATOM 1391 OE1 GLU A 82 -0.979 -6.443 -11.882 1.00 73.41 O ATOM 1392 OE2 GLU A 82 -2.249 -6.757 -10.154 1.00 51.52 O ATOM 0 H GLU A 82 2.298 -7.686 -6.819 1.00 5.43 H new ATOM 0 HA GLU A 82 2.319 -5.293 -8.553 1.00 11.24 H new ATOM 0 HB2 GLU A 82 1.398 -7.197 -9.885 1.00 13.10 H new ATOM 0 HB3 GLU A 82 0.216 -7.497 -8.626 1.00 13.10 H new ATOM 0 HG2 GLU A 82 -0.652 -5.125 -8.976 1.00 5.10 H new ATOM 0 HG3 GLU A 82 0.436 -4.981 -10.342 1.00 5.10 H new ATOM 1399 N VAL A 83 1.248 -4.286 -6.470 1.00 73.33 N ATOM 1400 CA VAL A 83 0.606 -3.660 -5.306 1.00 74.15 C ATOM 1401 C VAL A 83 -0.554 -2.790 -5.803 1.00 52.22 C ATOM 1402 O VAL A 83 -0.333 -1.805 -6.502 1.00 24.24 O ATOM 1403 CB VAL A 83 1.622 -2.781 -4.480 1.00 0.24 C ATOM 1404 CG1 VAL A 83 0.931 -2.135 -3.254 1.00 32.14 C ATOM 1405 CG2 VAL A 83 2.863 -3.606 -4.057 1.00 60.20 C ATOM 0 H VAL A 83 1.932 -3.689 -6.935 1.00 73.33 H new ATOM 0 HA VAL A 83 0.242 -4.444 -4.641 1.00 74.15 H new ATOM 0 HB VAL A 83 1.968 -1.976 -5.128 1.00 0.24 H new ATOM 0 HG11 VAL A 83 1.655 -1.535 -2.703 1.00 32.14 H new ATOM 0 HG12 VAL A 83 0.113 -1.498 -3.591 1.00 32.14 H new ATOM 0 HG13 VAL A 83 0.538 -2.917 -2.604 1.00 32.14 H new ATOM 0 HG21 VAL A 83 3.545 -2.973 -3.489 1.00 60.20 H new ATOM 0 HG22 VAL A 83 2.548 -4.446 -3.438 1.00 60.20 H new ATOM 0 HG23 VAL A 83 3.371 -3.981 -4.946 1.00 60.20 H new ATOM 1415 N ASN A 84 -1.784 -3.192 -5.452 1.00 11.25 N ATOM 1416 CA ASN A 84 -3.012 -2.503 -5.859 1.00 51.21 C ATOM 1417 C ASN A 84 -3.495 -1.659 -4.678 1.00 13.42 C ATOM 1418 O ASN A 84 -3.995 -2.200 -3.689 1.00 21.24 O ATOM 1419 CB ASN A 84 -4.125 -3.534 -6.243 1.00 32.31 C ATOM 1420 CG ASN A 84 -3.831 -4.430 -7.456 1.00 70.01 C ATOM 1421 OD1 ASN A 84 -4.732 -4.727 -8.239 1.00 45.45 O ATOM 1422 ND2 ASN A 84 -2.603 -4.920 -7.599 1.00 20.35 N ATOM 0 H ASN A 84 -1.953 -4.013 -4.872 1.00 11.25 H new ATOM 0 HA ASN A 84 -2.807 -1.879 -6.729 1.00 51.21 H new ATOM 0 HB2 ASN A 84 -4.311 -4.175 -5.381 1.00 32.31 H new ATOM 0 HB3 ASN A 84 -5.047 -2.986 -6.437 1.00 32.31 H new ATOM 0 HD21 ASN A 84 -2.394 -5.555 -8.369 1.00 20.35 H new ATOM 0 HD22 ASN A 84 -1.870 -4.661 -6.938 1.00 20.35 H new ATOM 1429 N VAL A 85 -3.323 -0.343 -4.781 1.00 21.44 N ATOM 1430 CA VAL A 85 -3.809 0.605 -3.776 1.00 3.21 C ATOM 1431 C VAL A 85 -5.190 1.098 -4.224 1.00 70.23 C ATOM 1432 O VAL A 85 -5.302 1.808 -5.222 1.00 41.31 O ATOM 1433 CB VAL A 85 -2.810 1.807 -3.587 1.00 51.22 C ATOM 1434 CG1 VAL A 85 -3.343 2.824 -2.545 1.00 2.02 C ATOM 1435 CG2 VAL A 85 -1.393 1.293 -3.214 1.00 31.12 C ATOM 0 H VAL A 85 -2.842 0.099 -5.565 1.00 21.44 H new ATOM 0 HA VAL A 85 -3.883 0.111 -2.807 1.00 3.21 H new ATOM 0 HB VAL A 85 -2.731 2.334 -4.538 1.00 51.22 H new ATOM 0 HG11 VAL A 85 -2.631 3.642 -2.437 1.00 2.02 H new ATOM 0 HG12 VAL A 85 -4.302 3.220 -2.880 1.00 2.02 H new ATOM 0 HG13 VAL A 85 -3.472 2.326 -1.584 1.00 2.02 H new ATOM 0 HG21 VAL A 85 -0.720 2.141 -3.088 1.00 31.12 H new ATOM 0 HG22 VAL A 85 -1.444 0.729 -2.283 1.00 31.12 H new ATOM 0 HG23 VAL A 85 -1.019 0.648 -4.009 1.00 31.12 H new ATOM 1445 N HIS A 86 -6.230 0.662 -3.507 1.00 64.12 N ATOM 1446 CA HIS A 86 -7.629 1.003 -3.798 1.00 50.43 C ATOM 1447 C HIS A 86 -8.043 2.134 -2.850 1.00 15.44 C ATOM 1448 O HIS A 86 -8.119 1.904 -1.652 1.00 44.31 O ATOM 1449 CB HIS A 86 -8.530 -0.243 -3.560 1.00 4.24 C ATOM 1450 CG HIS A 86 -8.107 -1.488 -4.303 1.00 74.14 C ATOM 1451 ND1 HIS A 86 -8.344 -1.677 -5.645 1.00 32.35 N ATOM 1452 CD2 HIS A 86 -7.459 -2.608 -3.882 1.00 4.05 C ATOM 1453 CE1 HIS A 86 -7.864 -2.851 -6.012 1.00 1.42 C ATOM 1454 NE2 HIS A 86 -7.325 -3.436 -4.965 1.00 75.25 N ATOM 0 H HIS A 86 -6.124 0.053 -2.696 1.00 64.12 H new ATOM 0 HA HIS A 86 -7.739 1.319 -4.835 1.00 50.43 H new ATOM 0 HB2 HIS A 86 -8.546 -0.463 -2.493 1.00 4.24 H new ATOM 0 HB3 HIS A 86 -9.551 0.005 -3.849 1.00 4.24 H new ATOM 0 HD2 HIS A 86 -7.114 -2.807 -2.878 1.00 4.05 H new ATOM 0 HE1 HIS A 86 -7.907 -3.263 -7.009 1.00 1.42 H new ATOM 0 HE2 HIS A 86 -6.881 -4.354 -4.960 1.00 75.25 H new ATOM 1463 N SER A 87 -8.307 3.338 -3.376 1.00 13.24 N ATOM 1464 CA SER A 87 -8.579 4.518 -2.536 1.00 13.23 C ATOM 1465 C SER A 87 -9.458 5.522 -3.298 1.00 50.30 C ATOM 1466 O SER A 87 -9.008 6.132 -4.275 1.00 2.21 O ATOM 1467 CB SER A 87 -7.244 5.158 -2.097 1.00 51.43 C ATOM 1468 OG SER A 87 -7.445 6.169 -1.128 1.00 64.34 O ATOM 0 H SER A 87 -8.339 3.523 -4.379 1.00 13.24 H new ATOM 0 HA SER A 87 -9.124 4.213 -1.643 1.00 13.23 H new ATOM 0 HB2 SER A 87 -6.587 4.389 -1.690 1.00 51.43 H new ATOM 0 HB3 SER A 87 -6.740 5.581 -2.966 1.00 51.43 H new ATOM 0 HG SER A 87 -8.028 6.865 -1.497 1.00 64.34 H new ATOM 1474 N GLY A 88 -10.719 5.660 -2.845 1.00 43.13 N ATOM 1475 CA GLY A 88 -11.712 6.527 -3.490 1.00 25.52 C ATOM 1476 C GLY A 88 -12.133 6.025 -4.876 1.00 2.45 C ATOM 1477 O GLY A 88 -12.498 6.818 -5.745 1.00 41.32 O ATOM 0 H GLY A 88 -11.073 5.172 -2.022 1.00 43.13 H new ATOM 0 HA2 GLY A 88 -12.593 6.599 -2.852 1.00 25.52 H new ATOM 0 HA3 GLY A 88 -11.303 7.533 -3.583 1.00 25.52 H new ATOM 1481 N GLY A 89 -12.062 4.692 -5.072 1.00 32.31 N ATOM 1482 CA GLY A 89 -12.350 4.063 -6.374 1.00 13.11 C ATOM 1483 C GLY A 89 -11.162 4.076 -7.339 1.00 22.33 C ATOM 1484 O GLY A 89 -11.253 3.526 -8.448 1.00 15.34 O ATOM 0 H GLY A 89 -11.806 4.029 -4.340 1.00 32.31 H new ATOM 0 HA2 GLY A 89 -12.661 3.032 -6.208 1.00 13.11 H new ATOM 0 HA3 GLY A 89 -13.190 4.579 -6.839 1.00 13.11 H new ATOM 1488 N GLN A 90 -10.044 4.690 -6.913 1.00 32.05 N ATOM 1489 CA GLN A 90 -8.818 4.810 -7.718 1.00 4.52 C ATOM 1490 C GLN A 90 -7.858 3.652 -7.364 1.00 35.43 C ATOM 1491 O GLN A 90 -7.516 3.474 -6.197 1.00 31.11 O ATOM 1492 CB GLN A 90 -8.143 6.179 -7.433 1.00 24.23 C ATOM 1493 CG GLN A 90 -9.060 7.404 -7.578 1.00 31.41 C ATOM 1494 CD GLN A 90 -8.373 8.725 -7.193 1.00 51.23 C ATOM 1495 OE1 GLN A 90 -7.786 9.402 -8.036 1.00 74.31 O ATOM 1496 NE2 GLN A 90 -8.409 9.073 -5.908 1.00 1.22 N ATOM 0 H GLN A 90 -9.967 5.120 -5.992 1.00 32.05 H new ATOM 0 HA GLN A 90 -9.064 4.754 -8.778 1.00 4.52 H new ATOM 0 HB2 GLN A 90 -7.741 6.164 -6.420 1.00 24.23 H new ATOM 0 HB3 GLN A 90 -7.297 6.297 -8.110 1.00 24.23 H new ATOM 0 HG2 GLN A 90 -9.407 7.470 -8.609 1.00 31.41 H new ATOM 0 HG3 GLN A 90 -9.942 7.265 -6.953 1.00 31.41 H new ATOM 0 HE21 GLN A 90 -8.905 8.489 -5.235 1.00 1.22 H new ATOM 0 HE22 GLN A 90 -7.941 9.924 -5.597 1.00 1.22 H new ATOM 1505 N THR A 91 -7.442 2.869 -8.375 1.00 42.55 N ATOM 1506 CA THR A 91 -6.576 1.690 -8.196 1.00 45.42 C ATOM 1507 C THR A 91 -5.227 1.912 -8.901 1.00 61.02 C ATOM 1508 O THR A 91 -5.181 2.036 -10.132 1.00 51.35 O ATOM 1509 CB THR A 91 -7.286 0.413 -8.757 1.00 21.31 C ATOM 1510 OG1 THR A 91 -8.530 0.210 -8.057 1.00 31.24 O ATOM 1511 CG2 THR A 91 -6.417 -0.855 -8.627 1.00 25.32 C ATOM 0 H THR A 91 -7.700 3.038 -9.347 1.00 42.55 H new ATOM 0 HA THR A 91 -6.390 1.544 -7.132 1.00 45.42 H new ATOM 0 HB THR A 91 -7.462 0.581 -9.819 1.00 21.31 H new ATOM 0 HG1 THR A 91 -8.383 -0.390 -7.296 1.00 31.24 H new ATOM 0 HG21 THR A 91 -6.958 -1.710 -9.031 1.00 25.32 H new ATOM 0 HG22 THR A 91 -5.489 -0.718 -9.181 1.00 25.32 H new ATOM 0 HG23 THR A 91 -6.189 -1.034 -7.576 1.00 25.32 H new ATOM 1519 N TRP A 92 -4.145 2.028 -8.113 1.00 64.33 N ATOM 1520 CA TRP A 92 -2.767 2.151 -8.625 1.00 41.45 C ATOM 1521 C TRP A 92 -2.060 0.791 -8.509 1.00 4.23 C ATOM 1522 O TRP A 92 -1.981 0.240 -7.413 1.00 72.40 O ATOM 1523 CB TRP A 92 -1.989 3.226 -7.824 1.00 65.42 C ATOM 1524 CG TRP A 92 -2.603 4.614 -7.887 1.00 23.51 C ATOM 1525 CD1 TRP A 92 -2.380 5.577 -8.834 1.00 10.10 C ATOM 1526 CD2 TRP A 92 -3.532 5.189 -6.954 1.00 23.25 C ATOM 1527 NE1 TRP A 92 -3.117 6.700 -8.544 1.00 21.44 N ATOM 1528 CE2 TRP A 92 -3.827 6.488 -7.397 1.00 20.32 C ATOM 1529 CE3 TRP A 92 -4.148 4.720 -5.792 1.00 50.43 C ATOM 1530 CZ2 TRP A 92 -4.694 7.332 -6.706 1.00 21.52 C ATOM 1531 CZ3 TRP A 92 -5.008 5.552 -5.109 1.00 3.54 C ATOM 1532 CH2 TRP A 92 -5.277 6.846 -5.568 1.00 40.40 C ATOM 0 H TRP A 92 -4.201 2.039 -7.095 1.00 64.33 H new ATOM 0 HA TRP A 92 -2.798 2.457 -9.671 1.00 41.45 H new ATOM 0 HB2 TRP A 92 -1.930 2.914 -6.781 1.00 65.42 H new ATOM 0 HB3 TRP A 92 -0.967 3.275 -8.201 1.00 65.42 H new ATOM 0 HD1 TRP A 92 -1.722 5.470 -9.684 1.00 10.10 H new ATOM 0 HE1 TRP A 92 -3.131 7.556 -9.098 1.00 21.44 H new ATOM 0 HE3 TRP A 92 -3.953 3.720 -5.434 1.00 50.43 H new ATOM 0 HZ2 TRP A 92 -4.898 8.333 -7.056 1.00 21.52 H new ATOM 0 HZ3 TRP A 92 -5.482 5.200 -4.205 1.00 3.54 H new ATOM 0 HH2 TRP A 92 -5.958 7.474 -5.013 1.00 40.40 H new ATOM 1543 N THR A 93 -1.578 0.257 -9.643 1.00 4.12 N ATOM 1544 CA THR A 93 -0.879 -1.039 -9.711 1.00 41.44 C ATOM 1545 C THR A 93 0.646 -0.822 -9.867 1.00 30.11 C ATOM 1546 O THR A 93 1.098 -0.256 -10.871 1.00 14.43 O ATOM 1547 CB THR A 93 -1.443 -1.892 -10.901 1.00 65.21 C ATOM 1548 OG1 THR A 93 -1.462 -1.100 -12.104 1.00 62.34 O ATOM 1549 CG2 THR A 93 -2.867 -2.416 -10.618 1.00 35.33 C ATOM 0 H THR A 93 -1.663 0.717 -10.549 1.00 4.12 H new ATOM 0 HA THR A 93 -1.052 -1.582 -8.782 1.00 41.44 H new ATOM 0 HB THR A 93 -0.785 -2.753 -11.023 1.00 65.21 H new ATOM 0 HG1 THR A 93 -0.613 -0.618 -12.192 1.00 62.34 H new ATOM 0 HG21 THR A 93 -3.215 -3.001 -11.469 1.00 35.33 H new ATOM 0 HG22 THR A 93 -2.853 -3.045 -9.728 1.00 35.33 H new ATOM 0 HG23 THR A 93 -3.539 -1.573 -10.457 1.00 35.33 H new ATOM 1557 N PHE A 94 1.426 -1.255 -8.853 1.00 5.03 N ATOM 1558 CA PHE A 94 2.897 -1.104 -8.820 1.00 65.03 C ATOM 1559 C PHE A 94 3.577 -2.454 -9.125 1.00 54.42 C ATOM 1560 O PHE A 94 3.482 -3.394 -8.330 1.00 43.02 O ATOM 1561 CB PHE A 94 3.353 -0.571 -7.430 1.00 53.12 C ATOM 1562 CG PHE A 94 2.782 0.803 -7.075 1.00 41.32 C ATOM 1563 CD1 PHE A 94 3.409 1.969 -7.518 1.00 33.33 C ATOM 1564 CD2 PHE A 94 1.618 0.930 -6.311 1.00 74.15 C ATOM 1565 CE1 PHE A 94 2.898 3.214 -7.204 1.00 75.53 C ATOM 1566 CE2 PHE A 94 1.109 2.176 -5.997 1.00 41.24 C ATOM 1567 CZ PHE A 94 1.749 3.317 -6.446 1.00 41.43 C ATOM 0 H PHE A 94 1.050 -1.723 -8.028 1.00 5.03 H new ATOM 0 HA PHE A 94 3.193 -0.384 -9.583 1.00 65.03 H new ATOM 0 HB2 PHE A 94 3.057 -1.286 -6.663 1.00 53.12 H new ATOM 0 HB3 PHE A 94 4.442 -0.517 -7.412 1.00 53.12 H new ATOM 0 HD1 PHE A 94 4.306 1.897 -8.115 1.00 33.33 H new ATOM 0 HD2 PHE A 94 1.110 0.043 -5.962 1.00 74.15 H new ATOM 0 HE1 PHE A 94 3.398 4.106 -7.552 1.00 75.53 H new ATOM 0 HE2 PHE A 94 0.212 2.259 -5.401 1.00 41.24 H new ATOM 0 HZ PHE A 94 1.349 4.290 -6.203 1.00 41.43 H new ATOM 1577 N ASN A 95 4.247 -2.540 -10.288 1.00 64.24 N ATOM 1578 CA ASN A 95 4.983 -3.743 -10.736 1.00 40.14 C ATOM 1579 C ASN A 95 6.497 -3.504 -10.690 1.00 55.05 C ATOM 1580 O ASN A 95 6.960 -2.375 -10.889 1.00 25.12 O ATOM 1581 CB ASN A 95 4.581 -4.124 -12.192 1.00 65.33 C ATOM 1582 CG ASN A 95 3.174 -4.708 -12.332 1.00 23.42 C ATOM 1583 OD1 ASN A 95 2.470 -4.434 -13.301 1.00 71.34 O ATOM 1584 ND2 ASN A 95 2.768 -5.556 -11.401 1.00 11.41 N ATOM 0 H ASN A 95 4.295 -1.768 -10.953 1.00 64.24 H new ATOM 0 HA ASN A 95 4.722 -4.557 -10.060 1.00 40.14 H new ATOM 0 HB2 ASN A 95 4.656 -3.236 -12.820 1.00 65.33 H new ATOM 0 HB3 ASN A 95 5.300 -4.847 -12.576 1.00 65.33 H new ATOM 0 HD21 ASN A 95 1.852 -5.998 -11.479 1.00 11.41 H new ATOM 0 HD22 ASN A 95 3.371 -5.767 -10.606 1.00 11.41 H new