USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=10 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= 0.51 K(o=1.2,f=-0.31) USER MOD Set 1.2: A 91 THR OG1 : rot -105:sc= 0.706 USER MOD Set 2.1: A 46 ASN : amide:sc= -0.0425 K(o=0.23,f=-0.88) USER MOD Set 2.2: A 78 SER OG : rot 54:sc= 0.274 USER MOD Single : A 27 GLN : amide:sc= -0.487 X(o=-0.49,f=0.00085) USER MOD Single : A 33 HIS : no HE2:sc= 0.486 K(o=0.49,f=-2.1!) USER MOD Single : A 37 THR OG1 : rot 160:sc= -0.0704 USER MOD Single : A 44 HIS : no HE2:sc= -0.391 K(o=0.016,f=-4.7!) USER MOD Single : A 56 ASN : amide:sc= -2.77! K(o=-2.8!,f=-0.012) USER MOD Single : A 58 SER OG : rot 80:sc= 0.0333 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -138:sc= 1.78 (180deg=-0.346) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -4.32! K(o=-4.3!,f=-1.3) USER MOD Single : A 87 SER OG : rot -80:sc= -0.387 USER MOD Single : A 90 GLN : amide:sc= -0.626 K(o=-0.63,f=0) USER MOD Single : A 93 THR OG1 : rot 43:sc= 0.104 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 328 N LEU A 21 11.155 2.770 -2.894 1.00 64.12 N ATOM 329 CA LEU A 21 9.852 2.232 -3.310 1.00 23.42 C ATOM 330 C LEU A 21 8.786 2.625 -2.286 1.00 70.51 C ATOM 331 O LEU A 21 7.786 3.266 -2.636 1.00 52.42 O ATOM 332 CB LEU A 21 9.931 0.681 -3.437 1.00 3.12 C ATOM 333 CG LEU A 21 8.587 -0.076 -3.720 1.00 23.31 C ATOM 334 CD1 LEU A 21 8.023 0.253 -5.118 1.00 61.22 C ATOM 335 CD2 LEU A 21 8.746 -1.603 -3.510 1.00 70.23 C ATOM 0 HA LEU A 21 9.584 2.647 -4.281 1.00 23.42 H new ATOM 0 HB2 LEU A 21 10.631 0.441 -4.238 1.00 3.12 H new ATOM 0 HB3 LEU A 21 10.355 0.286 -2.514 1.00 3.12 H new ATOM 0 HG LEU A 21 7.856 0.280 -2.994 1.00 23.31 H new ATOM 0 HD11 LEU A 21 7.092 -0.292 -5.272 1.00 61.22 H new ATOM 0 HD12 LEU A 21 7.833 1.324 -5.191 1.00 61.22 H new ATOM 0 HD13 LEU A 21 8.745 -0.040 -5.880 1.00 61.22 H new ATOM 0 HD21 LEU A 21 7.797 -2.099 -3.714 1.00 70.23 H new ATOM 0 HD22 LEU A 21 9.509 -1.986 -4.188 1.00 70.23 H new ATOM 0 HD23 LEU A 21 9.044 -1.800 -2.480 1.00 70.23 H new ATOM 347 N LEU A 22 9.054 2.276 -1.008 1.00 13.11 N ATOM 348 CA LEU A 22 8.129 2.530 0.104 1.00 23.12 C ATOM 349 C LEU A 22 7.864 4.035 0.270 1.00 2.14 C ATOM 350 O LEU A 22 6.725 4.433 0.468 1.00 63.22 O ATOM 351 CB LEU A 22 8.663 1.927 1.431 1.00 25.31 C ATOM 352 CG LEU A 22 8.824 0.373 1.471 1.00 11.55 C ATOM 353 CD1 LEU A 22 9.276 -0.101 2.874 1.00 65.15 C ATOM 354 CD2 LEU A 22 7.535 -0.356 1.018 1.00 64.01 C ATOM 0 H LEU A 22 9.917 1.812 -0.725 1.00 13.11 H new ATOM 0 HA LEU A 22 7.186 2.039 -0.138 1.00 23.12 H new ATOM 0 HB2 LEU A 22 9.632 2.377 1.645 1.00 25.31 H new ATOM 0 HB3 LEU A 22 7.990 2.222 2.236 1.00 25.31 H new ATOM 0 HG LEU A 22 9.605 0.109 0.758 1.00 11.55 H new ATOM 0 HD11 LEU A 22 9.381 -1.186 2.875 1.00 65.15 H new ATOM 0 HD12 LEU A 22 10.234 0.356 3.121 1.00 65.15 H new ATOM 0 HD13 LEU A 22 8.532 0.193 3.614 1.00 65.15 H new ATOM 0 HD21 LEU A 22 7.692 -1.434 1.061 1.00 64.01 H new ATOM 0 HD22 LEU A 22 6.711 -0.082 1.678 1.00 64.01 H new ATOM 0 HD23 LEU A 22 7.293 -0.066 -0.004 1.00 64.01 H new ATOM 366 N GLU A 23 8.928 4.857 0.126 1.00 31.30 N ATOM 367 CA GLU A 23 8.828 6.325 0.256 1.00 31.44 C ATOM 368 C GLU A 23 7.832 6.896 -0.774 1.00 44.42 C ATOM 369 O GLU A 23 6.985 7.722 -0.425 1.00 42.10 O ATOM 370 CB GLU A 23 10.216 7.001 0.099 1.00 2.33 C ATOM 371 CG GLU A 23 10.207 8.517 0.412 1.00 51.34 C ATOM 372 CD GLU A 23 11.541 9.216 0.114 1.00 0.20 C ATOM 373 OE1 GLU A 23 12.363 9.386 1.039 1.00 63.32 O ATOM 374 OE2 GLU A 23 11.768 9.602 -1.048 1.00 14.33 O ATOM 0 H GLU A 23 9.870 4.524 -0.081 1.00 31.30 H new ATOM 0 HA GLU A 23 8.458 6.545 1.258 1.00 31.44 H new ATOM 0 HB2 GLU A 23 10.928 6.507 0.760 1.00 2.33 H new ATOM 0 HB3 GLU A 23 10.570 6.851 -0.921 1.00 2.33 H new ATOM 0 HG2 GLU A 23 9.419 8.995 -0.170 1.00 51.34 H new ATOM 0 HG3 GLU A 23 9.959 8.661 1.464 1.00 51.34 H new ATOM 381 N ARG A 24 7.915 6.399 -2.030 1.00 72.01 N ATOM 382 CA ARG A 24 7.007 6.805 -3.132 1.00 74.22 C ATOM 383 C ARG A 24 5.564 6.328 -2.887 1.00 13.21 C ATOM 384 O ARG A 24 4.608 6.980 -3.332 1.00 32.41 O ATOM 385 CB ARG A 24 7.532 6.272 -4.496 1.00 3.34 C ATOM 386 CG ARG A 24 8.803 6.985 -5.005 1.00 62.32 C ATOM 387 CD ARG A 24 9.346 6.392 -6.315 1.00 14.13 C ATOM 388 NE ARG A 24 9.798 4.992 -6.145 1.00 35.22 N ATOM 389 CZ ARG A 24 9.338 3.933 -6.835 1.00 63.11 C ATOM 390 NH1 ARG A 24 8.396 4.067 -7.757 1.00 52.21 N ATOM 391 NH2 ARG A 24 9.828 2.734 -6.591 1.00 24.20 N ATOM 0 H ARG A 24 8.611 5.707 -2.309 1.00 72.01 H new ATOM 0 HA ARG A 24 6.993 7.895 -3.161 1.00 74.22 H new ATOM 0 HB2 ARG A 24 7.740 5.206 -4.402 1.00 3.34 H new ATOM 0 HB3 ARG A 24 6.745 6.379 -5.243 1.00 3.34 H new ATOM 0 HG2 ARG A 24 8.583 8.042 -5.156 1.00 62.32 H new ATOM 0 HG3 ARG A 24 9.576 6.926 -4.239 1.00 62.32 H new ATOM 0 HD2 ARG A 24 8.571 6.432 -7.080 1.00 14.13 H new ATOM 0 HD3 ARG A 24 10.177 7.001 -6.671 1.00 14.13 H new ATOM 0 HE ARG A 24 10.519 4.816 -5.445 1.00 35.22 H new ATOM 0 HH11 ARG A 24 8.004 4.988 -7.956 1.00 52.21 H new ATOM 0 HH12 ARG A 24 8.062 3.250 -8.268 1.00 52.21 H new ATOM 0 HH21 ARG A 24 10.552 2.613 -5.882 1.00 24.20 H new ATOM 0 HH22 ARG A 24 9.483 1.927 -7.111 1.00 24.20 H new ATOM 405 N LEU A 25 5.416 5.204 -2.151 1.00 52.53 N ATOM 406 CA LEU A 25 4.096 4.650 -1.808 1.00 72.14 C ATOM 407 C LEU A 25 3.500 5.470 -0.656 1.00 22.03 C ATOM 408 O LEU A 25 2.293 5.715 -0.610 1.00 52.13 O ATOM 409 CB LEU A 25 4.222 3.149 -1.427 1.00 3.00 C ATOM 410 CG LEU A 25 4.742 2.208 -2.561 1.00 2.23 C ATOM 411 CD1 LEU A 25 5.036 0.788 -2.030 1.00 63.22 C ATOM 412 CD2 LEU A 25 3.761 2.173 -3.752 1.00 61.15 C ATOM 0 H LEU A 25 6.200 4.664 -1.784 1.00 52.53 H new ATOM 0 HA LEU A 25 3.431 4.712 -2.669 1.00 72.14 H new ATOM 0 HB2 LEU A 25 4.893 3.064 -0.572 1.00 3.00 H new ATOM 0 HB3 LEU A 25 3.245 2.792 -1.102 1.00 3.00 H new ATOM 0 HG LEU A 25 5.684 2.620 -2.922 1.00 2.23 H new ATOM 0 HD11 LEU A 25 5.396 0.162 -2.846 1.00 63.22 H new ATOM 0 HD12 LEU A 25 5.797 0.841 -1.251 1.00 63.22 H new ATOM 0 HD13 LEU A 25 4.124 0.358 -1.617 1.00 63.22 H new ATOM 0 HD21 LEU A 25 4.150 1.510 -4.525 1.00 61.15 H new ATOM 0 HD22 LEU A 25 2.792 1.807 -3.414 1.00 61.15 H new ATOM 0 HD23 LEU A 25 3.647 3.178 -4.159 1.00 61.15 H new ATOM 424 N ARG A 26 4.399 5.941 0.233 1.00 74.43 N ATOM 425 CA ARG A 26 4.043 6.743 1.407 1.00 64.35 C ATOM 426 C ARG A 26 3.467 8.081 0.950 1.00 51.30 C ATOM 427 O ARG A 26 2.436 8.497 1.450 1.00 43.13 O ATOM 428 CB ARG A 26 5.281 6.987 2.312 1.00 32.52 C ATOM 429 CG ARG A 26 4.944 7.599 3.692 1.00 71.54 C ATOM 430 CD ARG A 26 6.176 8.111 4.450 1.00 65.40 C ATOM 431 NE ARG A 26 6.789 9.286 3.793 1.00 73.13 N ATOM 432 CZ ARG A 26 8.093 9.423 3.495 1.00 12.51 C ATOM 433 NH1 ARG A 26 8.966 8.457 3.786 1.00 62.23 N ATOM 434 NH2 ARG A 26 8.518 10.538 2.918 1.00 60.35 N ATOM 0 H ARG A 26 5.401 5.770 0.149 1.00 74.43 H new ATOM 0 HA ARG A 26 3.299 6.197 1.988 1.00 64.35 H new ATOM 0 HB2 ARG A 26 5.799 6.040 2.463 1.00 32.52 H new ATOM 0 HB3 ARG A 26 5.973 7.650 1.792 1.00 32.52 H new ATOM 0 HG2 ARG A 26 4.243 8.423 3.554 1.00 71.54 H new ATOM 0 HG3 ARG A 26 4.439 6.849 4.300 1.00 71.54 H new ATOM 0 HD2 ARG A 26 5.890 8.375 5.468 1.00 65.40 H new ATOM 0 HD3 ARG A 26 6.914 7.312 4.523 1.00 65.40 H new ATOM 0 HE ARG A 26 6.170 10.058 3.545 1.00 73.13 H new ATOM 0 HH11 ARG A 26 8.647 7.601 4.240 1.00 62.23 H new ATOM 0 HH12 ARG A 26 9.952 8.574 3.554 1.00 62.23 H new ATOM 0 HH21 ARG A 26 7.857 11.285 2.703 1.00 60.35 H new ATOM 0 HH22 ARG A 26 9.506 10.649 2.689 1.00 60.35 H new ATOM 448 N GLN A 27 4.142 8.708 -0.050 1.00 4.42 N ATOM 449 CA GLN A 27 3.715 9.993 -0.651 1.00 54.01 C ATOM 450 C GLN A 27 2.253 9.913 -1.133 1.00 33.40 C ATOM 451 O GLN A 27 1.476 10.860 -0.962 1.00 73.11 O ATOM 452 CB GLN A 27 4.614 10.378 -1.861 1.00 33.45 C ATOM 453 CG GLN A 27 6.120 10.518 -1.580 1.00 65.10 C ATOM 454 CD GLN A 27 6.470 11.592 -0.555 1.00 23.13 C ATOM 455 OE1 GLN A 27 6.668 12.759 -0.901 1.00 1.23 O ATOM 456 NE2 GLN A 27 6.556 11.213 0.706 1.00 23.55 N ATOM 0 H GLN A 27 4.998 8.333 -0.460 1.00 4.42 H new ATOM 0 HA GLN A 27 3.808 10.754 0.124 1.00 54.01 H new ATOM 0 HB2 GLN A 27 4.480 9.626 -2.638 1.00 33.45 H new ATOM 0 HB3 GLN A 27 4.253 11.323 -2.267 1.00 33.45 H new ATOM 0 HG2 GLN A 27 6.503 9.559 -1.230 1.00 65.10 H new ATOM 0 HG3 GLN A 27 6.633 10.744 -2.515 1.00 65.10 H new ATOM 0 HE21 GLN A 27 6.386 10.240 0.959 1.00 23.55 H new ATOM 0 HE22 GLN A 27 6.792 11.894 1.428 1.00 23.55 H new ATOM 465 N LEU A 28 1.915 8.756 -1.739 1.00 22.24 N ATOM 466 CA LEU A 28 0.562 8.455 -2.225 1.00 24.35 C ATOM 467 C LEU A 28 -0.438 8.420 -1.053 1.00 4.35 C ATOM 468 O LEU A 28 -1.442 9.126 -1.083 1.00 22.14 O ATOM 469 CB LEU A 28 0.558 7.103 -2.996 1.00 53.45 C ATOM 470 CG LEU A 28 -0.823 6.629 -3.559 1.00 31.42 C ATOM 471 CD1 LEU A 28 -1.407 7.645 -4.563 1.00 15.23 C ATOM 472 CD2 LEU A 28 -0.720 5.216 -4.177 1.00 54.24 C ATOM 0 H LEU A 28 2.582 8.002 -1.904 1.00 22.24 H new ATOM 0 HA LEU A 28 0.252 9.244 -2.910 1.00 24.35 H new ATOM 0 HB2 LEU A 28 1.258 7.182 -3.828 1.00 53.45 H new ATOM 0 HB3 LEU A 28 0.940 6.329 -2.331 1.00 53.45 H new ATOM 0 HG LEU A 28 -1.516 6.572 -2.720 1.00 31.42 H new ATOM 0 HD11 LEU A 28 -2.366 7.281 -4.932 1.00 15.23 H new ATOM 0 HD12 LEU A 28 -1.549 8.605 -4.068 1.00 15.23 H new ATOM 0 HD13 LEU A 28 -0.719 7.767 -5.399 1.00 15.23 H new ATOM 0 HD21 LEU A 28 -1.695 4.914 -4.559 1.00 54.24 H new ATOM 0 HD22 LEU A 28 0.002 5.228 -4.993 1.00 54.24 H new ATOM 0 HD23 LEU A 28 -0.394 4.508 -3.415 1.00 54.24 H new ATOM 484 N PHE A 29 -0.117 7.631 -0.007 1.00 43.42 N ATOM 485 CA PHE A 29 -1.009 7.437 1.162 1.00 32.42 C ATOM 486 C PHE A 29 -1.201 8.750 1.967 1.00 32.53 C ATOM 487 O PHE A 29 -2.287 9.009 2.507 1.00 4.42 O ATOM 488 CB PHE A 29 -0.454 6.320 2.088 1.00 54.22 C ATOM 489 CG PHE A 29 -0.244 4.956 1.419 1.00 24.31 C ATOM 490 CD1 PHE A 29 -1.193 4.429 0.541 1.00 30.22 C ATOM 491 CD2 PHE A 29 0.911 4.201 1.664 1.00 60.03 C ATOM 492 CE1 PHE A 29 -0.993 3.202 -0.064 1.00 74.52 C ATOM 493 CE2 PHE A 29 1.105 2.973 1.052 1.00 2.51 C ATOM 494 CZ PHE A 29 0.154 2.476 0.188 1.00 22.44 C ATOM 0 H PHE A 29 0.760 7.113 0.054 1.00 43.42 H new ATOM 0 HA PHE A 29 -1.985 7.136 0.780 1.00 32.42 H new ATOM 0 HB2 PHE A 29 0.498 6.654 2.501 1.00 54.22 H new ATOM 0 HB3 PHE A 29 -1.139 6.193 2.927 1.00 54.22 H new ATOM 0 HD1 PHE A 29 -2.094 4.986 0.332 1.00 30.22 H new ATOM 0 HD2 PHE A 29 1.662 4.582 2.340 1.00 60.03 H new ATOM 0 HE1 PHE A 29 -1.739 2.809 -0.738 1.00 74.52 H new ATOM 0 HE2 PHE A 29 2.002 2.406 1.252 1.00 2.51 H new ATOM 0 HZ PHE A 29 0.305 1.520 -0.291 1.00 22.44 H new ATOM 504 N GLU A 30 -0.131 9.572 2.018 1.00 43.13 N ATOM 505 CA GLU A 30 -0.131 10.883 2.711 1.00 51.01 C ATOM 506 C GLU A 30 -0.990 11.894 1.939 1.00 24.21 C ATOM 507 O GLU A 30 -1.646 12.748 2.542 1.00 53.14 O ATOM 508 CB GLU A 30 1.316 11.431 2.872 1.00 12.30 C ATOM 509 CG GLU A 30 2.242 10.578 3.766 1.00 45.04 C ATOM 510 CD GLU A 30 3.698 11.079 3.760 1.00 31.42 C ATOM 511 OE1 GLU A 30 4.173 11.631 4.775 1.00 71.12 O ATOM 512 OE2 GLU A 30 4.378 10.926 2.721 1.00 14.25 O ATOM 0 H GLU A 30 0.761 9.346 1.579 1.00 43.13 H new ATOM 0 HA GLU A 30 -0.556 10.738 3.704 1.00 51.01 H new ATOM 0 HB2 GLU A 30 1.768 11.516 1.884 1.00 12.30 H new ATOM 0 HB3 GLU A 30 1.263 12.438 3.286 1.00 12.30 H new ATOM 0 HG2 GLU A 30 1.863 10.587 4.788 1.00 45.04 H new ATOM 0 HG3 GLU A 30 2.217 9.543 3.426 1.00 45.04 H new ATOM 519 N GLU A 31 -0.974 11.784 0.600 1.00 3.02 N ATOM 520 CA GLU A 31 -1.830 12.595 -0.274 1.00 2.41 C ATOM 521 C GLU A 31 -3.304 12.212 -0.030 1.00 21.24 C ATOM 522 O GLU A 31 -4.144 13.068 0.217 1.00 42.11 O ATOM 523 CB GLU A 31 -1.448 12.369 -1.762 1.00 1.15 C ATOM 524 CG GLU A 31 -2.144 13.323 -2.757 1.00 45.22 C ATOM 525 CD GLU A 31 -2.080 12.827 -4.206 1.00 72.53 C ATOM 526 OE1 GLU A 31 -3.048 12.182 -4.661 1.00 40.24 O ATOM 527 OE2 GLU A 31 -1.056 13.058 -4.887 1.00 41.33 O ATOM 0 H GLU A 31 -0.370 11.133 0.098 1.00 3.02 H new ATOM 0 HA GLU A 31 -1.689 13.651 -0.046 1.00 2.41 H new ATOM 0 HB2 GLU A 31 -0.369 12.480 -1.867 1.00 1.15 H new ATOM 0 HB3 GLU A 31 -1.691 11.342 -2.034 1.00 1.15 H new ATOM 0 HG2 GLU A 31 -3.187 13.445 -2.466 1.00 45.22 H new ATOM 0 HG3 GLU A 31 -1.679 14.307 -2.695 1.00 45.22 H new ATOM 534 N LEU A 32 -3.569 10.888 -0.030 1.00 54.02 N ATOM 535 CA LEU A 32 -4.920 10.305 0.153 1.00 40.31 C ATOM 536 C LEU A 32 -5.494 10.614 1.553 1.00 34.11 C ATOM 537 O LEU A 32 -6.718 10.666 1.729 1.00 53.14 O ATOM 538 CB LEU A 32 -4.861 8.771 -0.089 1.00 72.51 C ATOM 539 CG LEU A 32 -4.452 8.316 -1.530 1.00 14.13 C ATOM 540 CD1 LEU A 32 -4.215 6.787 -1.600 1.00 14.24 C ATOM 541 CD2 LEU A 32 -5.487 8.778 -2.577 1.00 50.02 C ATOM 0 H LEU A 32 -2.843 10.183 -0.159 1.00 54.02 H new ATOM 0 HA LEU A 32 -5.590 10.762 -0.575 1.00 40.31 H new ATOM 0 HB2 LEU A 32 -4.155 8.339 0.620 1.00 72.51 H new ATOM 0 HB3 LEU A 32 -5.840 8.350 0.139 1.00 72.51 H new ATOM 0 HG LEU A 32 -3.505 8.799 -1.769 1.00 14.13 H new ATOM 0 HD11 LEU A 32 -3.933 6.509 -2.615 1.00 14.24 H new ATOM 0 HD12 LEU A 32 -3.415 6.511 -0.913 1.00 14.24 H new ATOM 0 HD13 LEU A 32 -5.130 6.264 -1.321 1.00 14.24 H new ATOM 0 HD21 LEU A 32 -5.175 8.447 -3.568 1.00 50.02 H new ATOM 0 HD22 LEU A 32 -6.460 8.348 -2.341 1.00 50.02 H new ATOM 0 HD23 LEU A 32 -5.558 9.866 -2.563 1.00 50.02 H new ATOM 553 N HIS A 33 -4.585 10.840 2.524 1.00 11.45 N ATOM 554 CA HIS A 33 -4.925 11.216 3.915 1.00 71.12 C ATOM 555 C HIS A 33 -5.816 12.487 3.991 1.00 45.11 C ATOM 556 O HIS A 33 -6.586 12.642 4.952 1.00 45.03 O ATOM 557 CB HIS A 33 -3.611 11.416 4.726 1.00 73.44 C ATOM 558 CG HIS A 33 -3.804 11.922 6.130 1.00 31.01 C ATOM 559 ND1 HIS A 33 -4.267 11.129 7.149 1.00 44.41 N ATOM 560 CD2 HIS A 33 -3.604 13.148 6.676 1.00 65.03 C ATOM 561 CE1 HIS A 33 -4.361 11.838 8.253 1.00 71.11 C ATOM 562 NE2 HIS A 33 -3.960 13.064 7.996 1.00 44.33 N ATOM 0 H HIS A 33 -3.580 10.766 2.363 1.00 11.45 H new ATOM 0 HA HIS A 33 -5.511 10.405 4.348 1.00 71.12 H new ATOM 0 HB2 HIS A 33 -3.079 10.466 4.768 1.00 73.44 H new ATOM 0 HB3 HIS A 33 -2.972 12.116 4.188 1.00 73.44 H new ATOM 0 HD1 HIS A 33 -4.503 10.140 7.064 1.00 44.41 H new ATOM 0 HD2 HIS A 33 -3.234 14.025 6.166 1.00 65.03 H new ATOM 0 HE1 HIS A 33 -4.709 11.475 9.209 1.00 71.11 H new ATOM 571 N GLU A 34 -5.723 13.368 2.965 1.00 10.11 N ATOM 572 CA GLU A 34 -6.493 14.641 2.906 1.00 1.02 C ATOM 573 C GLU A 34 -8.018 14.379 2.958 1.00 20.22 C ATOM 574 O GLU A 34 -8.780 15.184 3.510 1.00 54.01 O ATOM 575 CB GLU A 34 -6.118 15.456 1.628 1.00 72.12 C ATOM 576 CG GLU A 34 -6.657 14.890 0.296 1.00 51.52 C ATOM 577 CD GLU A 34 -6.095 15.600 -0.950 1.00 61.22 C ATOM 578 OE1 GLU A 34 -6.494 16.748 -1.222 1.00 14.02 O ATOM 579 OE2 GLU A 34 -5.265 15.007 -1.670 1.00 41.15 O ATOM 0 H GLU A 34 -5.117 13.220 2.158 1.00 10.11 H new ATOM 0 HA GLU A 34 -6.225 15.232 3.782 1.00 1.02 H new ATOM 0 HB2 GLU A 34 -6.488 16.474 1.746 1.00 72.12 H new ATOM 0 HB3 GLU A 34 -5.032 15.517 1.563 1.00 72.12 H new ATOM 0 HG2 GLU A 34 -6.416 13.829 0.238 1.00 51.52 H new ATOM 0 HG3 GLU A 34 -7.744 14.971 0.290 1.00 51.52 H new ATOM 586 N ARG A 35 -8.445 13.223 2.401 1.00 73.32 N ATOM 587 CA ARG A 35 -9.857 12.789 2.434 1.00 63.25 C ATOM 588 C ARG A 35 -10.029 11.620 3.417 1.00 14.41 C ATOM 589 O ARG A 35 -11.079 11.492 4.048 1.00 21.02 O ATOM 590 CB ARG A 35 -10.367 12.401 1.014 1.00 55.35 C ATOM 591 CG ARG A 35 -9.558 11.304 0.253 1.00 34.52 C ATOM 592 CD ARG A 35 -8.701 11.859 -0.906 1.00 51.33 C ATOM 593 NE ARG A 35 -9.527 12.621 -1.865 1.00 75.40 N ATOM 594 CZ ARG A 35 -9.073 13.447 -2.824 1.00 73.01 C ATOM 595 NH1 ARG A 35 -7.776 13.652 -3.014 1.00 10.23 N ATOM 596 NH2 ARG A 35 -9.945 14.088 -3.587 1.00 23.14 N ATOM 0 H ARG A 35 -7.825 12.571 1.920 1.00 73.32 H new ATOM 0 HA ARG A 35 -10.462 13.628 2.779 1.00 63.25 H new ATOM 0 HB2 ARG A 35 -11.399 12.061 1.104 1.00 55.35 H new ATOM 0 HB3 ARG A 35 -10.380 13.301 0.400 1.00 55.35 H new ATOM 0 HG2 ARG A 35 -8.908 10.788 0.960 1.00 34.52 H new ATOM 0 HG3 ARG A 35 -10.252 10.562 -0.142 1.00 34.52 H new ATOM 0 HD2 ARG A 35 -7.917 12.502 -0.506 1.00 51.33 H new ATOM 0 HD3 ARG A 35 -8.206 11.036 -1.422 1.00 51.33 H new ATOM 0 HE ARG A 35 -10.538 12.510 -1.793 1.00 75.40 H new ATOM 0 HH11 ARG A 35 -7.093 13.177 -2.424 1.00 10.23 H new ATOM 0 HH12 ARG A 35 -7.462 14.285 -3.750 1.00 10.23 H new ATOM 0 HH21 ARG A 35 -10.946 13.952 -3.443 1.00 23.14 H new ATOM 0 HH22 ARG A 35 -9.616 14.718 -4.319 1.00 23.14 H new ATOM 610 N GLY A 36 -8.968 10.793 3.545 1.00 21.13 N ATOM 611 CA GLY A 36 -8.978 9.603 4.401 1.00 52.44 C ATOM 612 C GLY A 36 -10.031 8.580 3.992 1.00 3.41 C ATOM 613 O GLY A 36 -10.716 8.008 4.846 1.00 61.44 O ATOM 0 H GLY A 36 -8.085 10.938 3.055 1.00 21.13 H new ATOM 0 HA2 GLY A 36 -7.994 9.134 4.372 1.00 52.44 H new ATOM 0 HA3 GLY A 36 -9.157 9.906 5.433 1.00 52.44 H new ATOM 617 N THR A 37 -10.159 8.361 2.671 1.00 30.32 N ATOM 618 CA THR A 37 -11.156 7.438 2.096 1.00 24.14 C ATOM 619 C THR A 37 -10.694 5.968 2.233 1.00 41.31 C ATOM 620 O THR A 37 -9.604 5.693 2.751 1.00 50.10 O ATOM 621 CB THR A 37 -11.450 7.803 0.592 1.00 75.51 C ATOM 622 OG1 THR A 37 -12.500 6.974 0.061 1.00 74.53 O ATOM 623 CG2 THR A 37 -10.202 7.681 -0.297 1.00 21.12 C ATOM 0 H THR A 37 -9.574 8.819 1.971 1.00 30.32 H new ATOM 0 HA THR A 37 -12.084 7.547 2.657 1.00 24.14 H new ATOM 0 HB THR A 37 -11.766 8.846 0.583 1.00 75.51 H new ATOM 0 HG1 THR A 37 -12.887 7.403 -0.730 1.00 74.53 H new ATOM 0 HG21 THR A 37 -10.459 7.943 -1.323 1.00 21.12 H new ATOM 0 HG22 THR A 37 -9.428 8.357 0.067 1.00 21.12 H new ATOM 0 HG23 THR A 37 -9.832 6.656 -0.266 1.00 21.12 H new ATOM 631 N GLU A 38 -11.560 5.040 1.796 1.00 15.13 N ATOM 632 CA GLU A 38 -11.304 3.592 1.814 1.00 63.54 C ATOM 633 C GLU A 38 -10.106 3.200 0.906 1.00 0.54 C ATOM 634 O GLU A 38 -10.253 2.982 -0.303 1.00 51.04 O ATOM 635 CB GLU A 38 -12.607 2.830 1.415 1.00 74.23 C ATOM 636 CG GLU A 38 -13.289 3.338 0.121 1.00 35.31 C ATOM 637 CD GLU A 38 -14.545 2.546 -0.257 1.00 44.41 C ATOM 638 OE1 GLU A 38 -14.413 1.349 -0.584 1.00 44.31 O ATOM 639 OE2 GLU A 38 -15.666 3.112 -0.240 1.00 11.25 O ATOM 0 H GLU A 38 -12.474 5.280 1.413 1.00 15.13 H new ATOM 0 HA GLU A 38 -11.022 3.302 2.826 1.00 63.54 H new ATOM 0 HB2 GLU A 38 -12.369 1.773 1.292 1.00 74.23 H new ATOM 0 HB3 GLU A 38 -13.319 2.903 2.237 1.00 74.23 H new ATOM 0 HG2 GLU A 38 -13.555 4.388 0.247 1.00 35.31 H new ATOM 0 HG3 GLU A 38 -12.575 3.287 -0.701 1.00 35.31 H new ATOM 646 N ILE A 39 -8.913 3.134 1.518 1.00 24.12 N ATOM 647 CA ILE A 39 -7.668 2.730 0.843 1.00 64.02 C ATOM 648 C ILE A 39 -7.454 1.219 1.070 1.00 0.43 C ATOM 649 O ILE A 39 -7.168 0.788 2.189 1.00 73.11 O ATOM 650 CB ILE A 39 -6.421 3.530 1.400 1.00 31.03 C ATOM 651 CG1 ILE A 39 -6.677 5.071 1.379 1.00 34.11 C ATOM 652 CG2 ILE A 39 -5.126 3.172 0.618 1.00 72.42 C ATOM 653 CD1 ILE A 39 -5.637 5.903 2.117 1.00 60.22 C ATOM 0 H ILE A 39 -8.784 3.361 2.504 1.00 24.12 H new ATOM 0 HA ILE A 39 -7.758 2.952 -0.220 1.00 64.02 H new ATOM 0 HB ILE A 39 -6.279 3.230 2.438 1.00 31.03 H new ATOM 0 HG12 ILE A 39 -6.718 5.404 0.342 1.00 34.11 H new ATOM 0 HG13 ILE A 39 -7.656 5.268 1.816 1.00 34.11 H new ATOM 0 HG21 ILE A 39 -4.288 3.738 1.024 1.00 72.42 H new ATOM 0 HG22 ILE A 39 -4.925 2.105 0.716 1.00 72.42 H new ATOM 0 HG23 ILE A 39 -5.256 3.422 -0.435 1.00 72.42 H new ATOM 0 HD11 ILE A 39 -5.899 6.959 2.047 1.00 60.22 H new ATOM 0 HD12 ILE A 39 -5.609 5.604 3.165 1.00 60.22 H new ATOM 0 HD13 ILE A 39 -4.657 5.742 1.668 1.00 60.22 H new ATOM 665 N VAL A 40 -7.610 0.416 0.001 1.00 70.21 N ATOM 666 CA VAL A 40 -7.466 -1.050 0.066 1.00 1.42 C ATOM 667 C VAL A 40 -6.210 -1.455 -0.727 1.00 21.31 C ATOM 668 O VAL A 40 -6.229 -1.476 -1.954 1.00 53.11 O ATOM 669 CB VAL A 40 -8.740 -1.790 -0.513 1.00 1.13 C ATOM 670 CG1 VAL A 40 -8.615 -3.331 -0.366 1.00 33.03 C ATOM 671 CG2 VAL A 40 -10.044 -1.261 0.140 1.00 64.22 C ATOM 0 H VAL A 40 -7.839 0.764 -0.930 1.00 70.21 H new ATOM 0 HA VAL A 40 -7.368 -1.348 1.110 1.00 1.42 H new ATOM 0 HB VAL A 40 -8.794 -1.568 -1.579 1.00 1.13 H new ATOM 0 HG11 VAL A 40 -9.506 -3.809 -0.773 1.00 33.03 H new ATOM 0 HG12 VAL A 40 -7.736 -3.678 -0.910 1.00 33.03 H new ATOM 0 HG13 VAL A 40 -8.515 -3.589 0.688 1.00 33.03 H new ATOM 0 HG21 VAL A 40 -10.901 -1.789 -0.279 1.00 64.22 H new ATOM 0 HG22 VAL A 40 -10.006 -1.428 1.216 1.00 64.22 H new ATOM 0 HG23 VAL A 40 -10.143 -0.194 -0.058 1.00 64.22 H new ATOM 681 N VAL A 41 -5.126 -1.769 -0.016 1.00 74.42 N ATOM 682 CA VAL A 41 -3.835 -2.113 -0.629 1.00 33.22 C ATOM 683 C VAL A 41 -3.736 -3.639 -0.773 1.00 54.12 C ATOM 684 O VAL A 41 -3.818 -4.369 0.220 1.00 30.04 O ATOM 685 CB VAL A 41 -2.638 -1.560 0.237 1.00 3.24 C ATOM 686 CG1 VAL A 41 -1.265 -1.876 -0.406 1.00 62.32 C ATOM 687 CG2 VAL A 41 -2.807 -0.041 0.485 1.00 34.55 C ATOM 0 H VAL A 41 -5.115 -1.793 1.004 1.00 74.42 H new ATOM 0 HA VAL A 41 -3.773 -1.651 -1.614 1.00 33.22 H new ATOM 0 HB VAL A 41 -2.660 -2.071 1.200 1.00 3.24 H new ATOM 0 HG11 VAL A 41 -0.469 -1.478 0.223 1.00 62.32 H new ATOM 0 HG12 VAL A 41 -1.147 -2.956 -0.500 1.00 62.32 H new ATOM 0 HG13 VAL A 41 -1.212 -1.418 -1.393 1.00 62.32 H new ATOM 0 HG21 VAL A 41 -1.973 0.325 1.084 1.00 34.55 H new ATOM 0 HG22 VAL A 41 -2.826 0.484 -0.470 1.00 34.55 H new ATOM 0 HG23 VAL A 41 -3.742 0.139 1.016 1.00 34.55 H new ATOM 697 N GLU A 42 -3.593 -4.101 -2.026 1.00 3.23 N ATOM 698 CA GLU A 42 -3.478 -5.526 -2.360 1.00 14.43 C ATOM 699 C GLU A 42 -2.084 -5.841 -2.896 1.00 31.35 C ATOM 700 O GLU A 42 -1.756 -5.488 -4.027 1.00 1.42 O ATOM 701 CB GLU A 42 -4.562 -5.942 -3.388 1.00 23.12 C ATOM 702 CG GLU A 42 -5.954 -6.134 -2.773 1.00 55.31 C ATOM 703 CD GLU A 42 -7.000 -6.575 -3.803 1.00 70.12 C ATOM 704 OE1 GLU A 42 -7.015 -7.772 -4.175 1.00 1.22 O ATOM 705 OE2 GLU A 42 -7.790 -5.730 -4.267 1.00 34.51 O ATOM 0 H GLU A 42 -3.554 -3.489 -2.841 1.00 3.23 H new ATOM 0 HA GLU A 42 -3.636 -6.101 -1.448 1.00 14.43 H new ATOM 0 HB2 GLU A 42 -4.621 -5.183 -4.168 1.00 23.12 H new ATOM 0 HB3 GLU A 42 -4.256 -6.871 -3.870 1.00 23.12 H new ATOM 0 HG2 GLU A 42 -5.896 -6.878 -1.979 1.00 55.31 H new ATOM 0 HG3 GLU A 42 -6.275 -5.200 -2.312 1.00 55.31 H new ATOM 712 N VAL A 43 -1.280 -6.527 -2.079 1.00 43.21 N ATOM 713 CA VAL A 43 0.052 -6.980 -2.485 1.00 33.42 C ATOM 714 C VAL A 43 -0.081 -8.422 -3.019 1.00 42.50 C ATOM 715 O VAL A 43 -0.178 -9.385 -2.254 1.00 51.32 O ATOM 716 CB VAL A 43 1.067 -6.905 -1.278 1.00 54.34 C ATOM 717 CG1 VAL A 43 2.517 -7.186 -1.733 1.00 61.13 C ATOM 718 CG2 VAL A 43 0.958 -5.541 -0.553 1.00 44.31 C ATOM 0 H VAL A 43 -1.532 -6.782 -1.124 1.00 43.21 H new ATOM 0 HA VAL A 43 0.448 -6.332 -3.266 1.00 33.42 H new ATOM 0 HB VAL A 43 0.797 -7.687 -0.569 1.00 54.34 H new ATOM 0 HG11 VAL A 43 3.186 -7.125 -0.875 1.00 61.13 H new ATOM 0 HG12 VAL A 43 2.575 -8.184 -2.168 1.00 61.13 H new ATOM 0 HG13 VAL A 43 2.814 -6.447 -2.478 1.00 61.13 H new ATOM 0 HG21 VAL A 43 1.666 -5.511 0.275 1.00 44.31 H new ATOM 0 HG22 VAL A 43 1.185 -4.737 -1.254 1.00 44.31 H new ATOM 0 HG23 VAL A 43 -0.054 -5.413 -0.169 1.00 44.31 H new ATOM 728 N HIS A 44 -0.146 -8.528 -4.349 1.00 64.12 N ATOM 729 CA HIS A 44 -0.218 -9.808 -5.072 1.00 42.04 C ATOM 730 C HIS A 44 1.209 -10.298 -5.385 1.00 51.32 C ATOM 731 O HIS A 44 1.895 -9.712 -6.225 1.00 1.23 O ATOM 732 CB HIS A 44 -1.035 -9.631 -6.389 1.00 33.40 C ATOM 733 CG HIS A 44 -2.426 -9.077 -6.188 1.00 44.02 C ATOM 734 ND1 HIS A 44 -2.986 -8.105 -6.994 1.00 45.20 N ATOM 735 CD2 HIS A 44 -3.379 -9.386 -5.277 1.00 33.01 C ATOM 736 CE1 HIS A 44 -4.208 -7.838 -6.581 1.00 41.42 C ATOM 737 NE2 HIS A 44 -4.471 -8.604 -5.543 1.00 40.11 N ATOM 0 H HIS A 44 -0.150 -7.716 -4.967 1.00 64.12 H new ATOM 0 HA HIS A 44 -0.721 -10.550 -4.452 1.00 42.04 H new ATOM 0 HB2 HIS A 44 -0.486 -8.968 -7.057 1.00 33.40 H new ATOM 0 HB3 HIS A 44 -1.110 -10.597 -6.889 1.00 33.40 H new ATOM 0 HD1 HIS A 44 -2.524 -7.662 -7.788 1.00 45.20 H new ATOM 0 HD2 HIS A 44 -3.293 -10.116 -4.485 1.00 33.01 H new ATOM 0 HE1 HIS A 44 -4.879 -7.114 -7.019 1.00 41.42 H new ATOM 746 N ILE A 45 1.664 -11.336 -4.659 1.00 25.45 N ATOM 747 CA ILE A 45 2.990 -11.962 -4.858 1.00 0.22 C ATOM 748 C ILE A 45 2.847 -13.494 -4.857 1.00 54.20 C ATOM 749 O ILE A 45 2.303 -14.060 -3.904 1.00 74.43 O ATOM 750 CB ILE A 45 4.022 -11.526 -3.740 1.00 75.42 C ATOM 751 CG1 ILE A 45 4.276 -9.988 -3.797 1.00 33.33 C ATOM 752 CG2 ILE A 45 5.357 -12.313 -3.847 1.00 40.51 C ATOM 753 CD1 ILE A 45 5.339 -9.477 -2.851 1.00 72.44 C ATOM 0 H ILE A 45 1.120 -11.769 -3.912 1.00 25.45 H new ATOM 0 HA ILE A 45 3.375 -11.622 -5.820 1.00 0.22 H new ATOM 0 HB ILE A 45 3.581 -11.769 -2.773 1.00 75.42 H new ATOM 0 HG12 ILE A 45 4.559 -9.720 -4.815 1.00 33.33 H new ATOM 0 HG13 ILE A 45 3.340 -9.473 -3.580 1.00 33.33 H new ATOM 0 HG21 ILE A 45 6.037 -11.984 -3.062 1.00 40.51 H new ATOM 0 HG22 ILE A 45 5.161 -13.379 -3.734 1.00 40.51 H new ATOM 0 HG23 ILE A 45 5.811 -12.129 -4.821 1.00 40.51 H new ATOM 0 HD11 ILE A 45 5.441 -8.398 -2.967 1.00 72.44 H new ATOM 0 HD12 ILE A 45 5.053 -9.707 -1.824 1.00 72.44 H new ATOM 0 HD13 ILE A 45 6.290 -9.957 -3.079 1.00 72.44 H new ATOM 765 N ASN A 46 3.337 -14.130 -5.944 1.00 53.51 N ATOM 766 CA ASN A 46 3.436 -15.601 -6.090 1.00 3.32 C ATOM 767 C ASN A 46 2.070 -16.308 -5.935 1.00 25.43 C ATOM 768 O ASN A 46 1.985 -17.431 -5.409 1.00 2.12 O ATOM 769 CB ASN A 46 4.506 -16.153 -5.097 1.00 2.32 C ATOM 770 CG ASN A 46 5.931 -15.679 -5.415 1.00 21.04 C ATOM 771 OD1 ASN A 46 6.285 -15.448 -6.570 1.00 62.11 O ATOM 772 ND2 ASN A 46 6.765 -15.565 -4.399 1.00 11.53 N ATOM 0 H ASN A 46 3.682 -13.626 -6.761 1.00 53.51 H new ATOM 0 HA ASN A 46 3.759 -15.823 -7.107 1.00 3.32 H new ATOM 0 HB2 ASN A 46 4.245 -15.845 -4.085 1.00 2.32 H new ATOM 0 HB3 ASN A 46 4.480 -17.243 -5.115 1.00 2.32 H new ATOM 0 HD21 ASN A 46 7.730 -15.279 -4.561 1.00 11.53 H new ATOM 0 HD22 ASN A 46 6.444 -15.763 -3.451 1.00 11.53 H new ATOM 779 N GLY A 47 1.006 -15.638 -6.426 1.00 64.41 N ATOM 780 CA GLY A 47 -0.368 -16.160 -6.363 1.00 12.14 C ATOM 781 C GLY A 47 -1.125 -15.712 -5.120 1.00 13.31 C ATOM 782 O GLY A 47 -2.359 -15.722 -5.104 1.00 4.12 O ATOM 0 H GLY A 47 1.079 -14.725 -6.874 1.00 64.41 H new ATOM 0 HA2 GLY A 47 -0.914 -15.836 -7.249 1.00 12.14 H new ATOM 0 HA3 GLY A 47 -0.337 -17.249 -6.389 1.00 12.14 H new ATOM 786 N GLU A 48 -0.378 -15.324 -4.076 1.00 22.13 N ATOM 787 CA GLU A 48 -0.935 -14.906 -2.781 1.00 12.10 C ATOM 788 C GLU A 48 -1.363 -13.430 -2.823 1.00 23.33 C ATOM 789 O GLU A 48 -0.673 -12.594 -3.412 1.00 54.11 O ATOM 790 CB GLU A 48 0.134 -15.127 -1.682 1.00 51.45 C ATOM 791 CG GLU A 48 0.571 -16.596 -1.506 1.00 33.20 C ATOM 792 CD GLU A 48 -0.534 -17.490 -0.917 1.00 35.34 C ATOM 793 OE1 GLU A 48 -1.127 -18.305 -1.648 1.00 72.14 O ATOM 794 OE2 GLU A 48 -0.818 -17.370 0.290 1.00 33.02 O ATOM 0 H GLU A 48 0.641 -15.291 -4.107 1.00 22.13 H new ATOM 0 HA GLU A 48 -1.820 -15.503 -2.559 1.00 12.10 H new ATOM 0 HB2 GLU A 48 1.011 -14.525 -1.919 1.00 51.45 H new ATOM 0 HB3 GLU A 48 -0.257 -14.760 -0.733 1.00 51.45 H new ATOM 0 HG2 GLU A 48 0.876 -16.996 -2.473 1.00 33.20 H new ATOM 0 HG3 GLU A 48 1.445 -16.633 -0.855 1.00 33.20 H new ATOM 801 N ARG A 49 -2.498 -13.128 -2.180 1.00 32.33 N ATOM 802 CA ARG A 49 -3.059 -11.768 -2.102 1.00 14.40 C ATOM 803 C ARG A 49 -3.070 -11.282 -0.641 1.00 70.21 C ATOM 804 O ARG A 49 -3.590 -11.961 0.255 1.00 65.44 O ATOM 805 CB ARG A 49 -4.492 -11.739 -2.720 1.00 13.52 C ATOM 806 CG ARG A 49 -5.476 -12.796 -2.171 1.00 74.21 C ATOM 807 CD ARG A 49 -6.814 -12.829 -2.926 1.00 12.50 C ATOM 808 NE ARG A 49 -7.754 -13.818 -2.351 1.00 22.54 N ATOM 809 CZ ARG A 49 -8.701 -14.493 -3.035 1.00 11.10 C ATOM 810 NH1 ARG A 49 -8.863 -14.309 -4.340 1.00 20.02 N ATOM 811 NH2 ARG A 49 -9.485 -15.357 -2.401 1.00 72.42 N ATOM 0 H ARG A 49 -3.060 -13.826 -1.693 1.00 32.33 H new ATOM 0 HA ARG A 49 -2.431 -11.089 -2.679 1.00 14.40 H new ATOM 0 HB2 ARG A 49 -4.920 -10.750 -2.555 1.00 13.52 H new ATOM 0 HB3 ARG A 49 -4.406 -11.874 -3.798 1.00 13.52 H new ATOM 0 HG2 ARG A 49 -5.010 -13.780 -2.227 1.00 74.21 H new ATOM 0 HG3 ARG A 49 -5.666 -12.593 -1.117 1.00 74.21 H new ATOM 0 HD2 ARG A 49 -7.269 -11.839 -2.899 1.00 12.50 H new ATOM 0 HD3 ARG A 49 -6.633 -13.068 -3.974 1.00 12.50 H new ATOM 0 HE ARG A 49 -7.679 -14.005 -1.351 1.00 22.54 H new ATOM 0 HH11 ARG A 49 -8.267 -13.649 -4.840 1.00 20.02 H new ATOM 0 HH12 ARG A 49 -9.584 -14.827 -4.843 1.00 20.02 H new ATOM 0 HH21 ARG A 49 -9.371 -15.509 -1.399 1.00 72.42 H new ATOM 0 HH22 ARG A 49 -10.202 -15.868 -2.916 1.00 72.42 H new ATOM 825 N ASP A 50 -2.441 -10.125 -0.413 1.00 2.41 N ATOM 826 CA ASP A 50 -2.481 -9.420 0.876 1.00 22.30 C ATOM 827 C ASP A 50 -3.497 -8.283 0.768 1.00 73.02 C ATOM 828 O ASP A 50 -3.255 -7.326 0.061 1.00 11.11 O ATOM 829 CB ASP A 50 -1.071 -8.845 1.186 1.00 65.24 C ATOM 830 CG ASP A 50 -0.961 -8.014 2.482 1.00 53.21 C ATOM 831 OD1 ASP A 50 -0.063 -7.145 2.564 1.00 35.33 O ATOM 832 OD2 ASP A 50 -1.739 -8.245 3.437 1.00 61.42 O ATOM 0 H ASP A 50 -1.885 -9.646 -1.122 1.00 2.41 H new ATOM 0 HA ASP A 50 -2.770 -10.100 1.678 1.00 22.30 H new ATOM 0 HB2 ASP A 50 -0.365 -9.674 1.246 1.00 65.24 H new ATOM 0 HB3 ASP A 50 -0.760 -8.221 0.348 1.00 65.24 H new ATOM 837 N GLU A 51 -4.619 -8.397 1.479 1.00 23.03 N ATOM 838 CA GLU A 51 -5.677 -7.366 1.478 1.00 61.44 C ATOM 839 C GLU A 51 -5.616 -6.598 2.802 1.00 72.14 C ATOM 840 O GLU A 51 -5.901 -7.161 3.869 1.00 63.11 O ATOM 841 CB GLU A 51 -7.086 -7.993 1.292 1.00 2.15 C ATOM 842 CG GLU A 51 -8.232 -6.948 1.196 1.00 72.14 C ATOM 843 CD GLU A 51 -9.631 -7.561 1.383 1.00 74.11 C ATOM 844 OE1 GLU A 51 -10.061 -7.726 2.549 1.00 51.34 O ATOM 845 OE2 GLU A 51 -10.292 -7.904 0.382 1.00 0.23 O ATOM 0 H GLU A 51 -4.827 -9.200 2.072 1.00 23.03 H new ATOM 0 HA GLU A 51 -5.507 -6.691 0.639 1.00 61.44 H new ATOM 0 HB2 GLU A 51 -7.086 -8.602 0.388 1.00 2.15 H new ATOM 0 HB3 GLU A 51 -7.288 -8.663 2.127 1.00 2.15 H new ATOM 0 HG2 GLU A 51 -8.076 -6.178 1.951 1.00 72.14 H new ATOM 0 HG3 GLU A 51 -8.185 -6.456 0.225 1.00 72.14 H new ATOM 852 N ILE A 52 -5.206 -5.330 2.723 1.00 52.02 N ATOM 853 CA ILE A 52 -5.176 -4.406 3.868 1.00 65.33 C ATOM 854 C ILE A 52 -6.195 -3.299 3.572 1.00 1.41 C ATOM 855 O ILE A 52 -6.172 -2.741 2.475 1.00 62.12 O ATOM 856 CB ILE A 52 -3.750 -3.746 4.068 1.00 4.43 C ATOM 857 CG1 ILE A 52 -2.596 -4.715 3.641 1.00 21.41 C ATOM 858 CG2 ILE A 52 -3.572 -3.290 5.544 1.00 64.25 C ATOM 859 CD1 ILE A 52 -1.283 -4.017 3.332 1.00 45.34 C ATOM 0 H ILE A 52 -4.881 -4.907 1.853 1.00 52.02 H new ATOM 0 HA ILE A 52 -5.408 -4.957 4.779 1.00 65.33 H new ATOM 0 HB ILE A 52 -3.692 -2.872 3.420 1.00 4.43 H new ATOM 0 HG12 ILE A 52 -2.431 -5.440 4.438 1.00 21.41 H new ATOM 0 HG13 ILE A 52 -2.913 -5.275 2.761 1.00 21.41 H new ATOM 0 HG21 ILE A 52 -2.588 -2.838 5.669 1.00 64.25 H new ATOM 0 HG22 ILE A 52 -4.341 -2.560 5.794 1.00 64.25 H new ATOM 0 HG23 ILE A 52 -3.662 -4.152 6.205 1.00 64.25 H new ATOM 0 HD11 ILE A 52 -0.536 -4.757 3.045 1.00 45.34 H new ATOM 0 HD12 ILE A 52 -1.429 -3.312 2.513 1.00 45.34 H new ATOM 0 HD13 ILE A 52 -0.940 -3.480 4.216 1.00 45.34 H new ATOM 871 N ARG A 53 -7.090 -2.993 4.517 1.00 74.14 N ATOM 872 CA ARG A 53 -8.104 -1.937 4.339 1.00 52.54 C ATOM 873 C ARG A 53 -7.949 -0.902 5.460 1.00 74.22 C ATOM 874 O ARG A 53 -8.136 -1.215 6.636 1.00 53.23 O ATOM 875 CB ARG A 53 -9.537 -2.538 4.330 1.00 21.34 C ATOM 876 CG ARG A 53 -9.765 -3.649 3.281 1.00 13.10 C ATOM 877 CD ARG A 53 -11.245 -4.015 3.109 1.00 2.10 C ATOM 878 NE ARG A 53 -12.020 -2.892 2.540 1.00 73.42 N ATOM 879 CZ ARG A 53 -13.238 -2.991 1.982 1.00 21.12 C ATOM 880 NH1 ARG A 53 -13.859 -4.165 1.911 1.00 33.41 N ATOM 881 NH2 ARG A 53 -13.824 -1.910 1.478 1.00 61.23 N ATOM 0 H ARG A 53 -7.136 -3.463 5.421 1.00 74.14 H new ATOM 0 HA ARG A 53 -7.952 -1.450 3.376 1.00 52.54 H new ATOM 0 HB2 ARG A 53 -9.753 -2.941 5.319 1.00 21.34 H new ATOM 0 HB3 ARG A 53 -10.252 -1.735 4.150 1.00 21.34 H new ATOM 0 HG2 ARG A 53 -9.363 -3.324 2.322 1.00 13.10 H new ATOM 0 HG3 ARG A 53 -9.208 -4.539 3.575 1.00 13.10 H new ATOM 0 HD2 ARG A 53 -11.332 -4.885 2.458 1.00 2.10 H new ATOM 0 HD3 ARG A 53 -11.666 -4.296 4.074 1.00 2.10 H new ATOM 0 HE ARG A 53 -11.595 -1.965 2.574 1.00 73.42 H new ATOM 0 HH11 ARG A 53 -13.411 -5.002 2.283 1.00 33.41 H new ATOM 0 HH12 ARG A 53 -14.784 -4.228 1.485 1.00 33.41 H new ATOM 0 HH21 ARG A 53 -13.349 -1.008 1.515 1.00 61.23 H new ATOM 0 HH22 ARG A 53 -14.749 -1.982 1.054 1.00 61.23 H new ATOM 895 N VAL A 54 -7.574 0.319 5.072 1.00 45.45 N ATOM 896 CA VAL A 54 -7.349 1.458 5.980 1.00 62.42 C ATOM 897 C VAL A 54 -8.175 2.664 5.480 1.00 24.24 C ATOM 898 O VAL A 54 -8.487 2.744 4.294 1.00 33.03 O ATOM 899 CB VAL A 54 -5.817 1.821 6.051 1.00 54.21 C ATOM 900 CG1 VAL A 54 -4.985 0.691 6.711 1.00 24.42 C ATOM 901 CG2 VAL A 54 -5.247 2.175 4.659 1.00 43.41 C ATOM 0 H VAL A 54 -7.413 0.554 4.093 1.00 45.45 H new ATOM 0 HA VAL A 54 -7.669 1.190 6.987 1.00 62.42 H new ATOM 0 HB VAL A 54 -5.736 2.706 6.682 1.00 54.21 H new ATOM 0 HG11 VAL A 54 -3.935 0.982 6.740 1.00 24.42 H new ATOM 0 HG12 VAL A 54 -5.343 0.521 7.727 1.00 24.42 H new ATOM 0 HG13 VAL A 54 -5.092 -0.226 6.131 1.00 24.42 H new ATOM 0 HG21 VAL A 54 -4.189 2.419 4.751 1.00 43.41 H new ATOM 0 HG22 VAL A 54 -5.366 1.323 3.990 1.00 43.41 H new ATOM 0 HG23 VAL A 54 -5.784 3.033 4.254 1.00 43.41 H new ATOM 911 N ARG A 55 -8.577 3.574 6.391 1.00 22.34 N ATOM 912 CA ARG A 55 -9.399 4.755 6.026 1.00 71.34 C ATOM 913 C ARG A 55 -8.708 6.063 6.468 1.00 64.44 C ATOM 914 O ARG A 55 -7.897 6.621 5.720 1.00 2.53 O ATOM 915 CB ARG A 55 -10.832 4.643 6.632 1.00 4.51 C ATOM 916 CG ARG A 55 -11.708 3.496 6.075 1.00 30.44 C ATOM 917 CD ARG A 55 -13.093 3.440 6.756 1.00 45.13 C ATOM 918 NE ARG A 55 -13.798 4.736 6.678 1.00 3.44 N ATOM 919 CZ ARG A 55 -14.691 5.204 7.571 1.00 41.10 C ATOM 920 NH1 ARG A 55 -15.049 4.490 8.646 1.00 34.43 N ATOM 921 NH2 ARG A 55 -15.212 6.409 7.389 1.00 32.43 N ATOM 0 H ARG A 55 -8.348 3.517 7.383 1.00 22.34 H new ATOM 0 HA ARG A 55 -9.496 4.779 4.941 1.00 71.34 H new ATOM 0 HB2 ARG A 55 -10.741 4.515 7.711 1.00 4.51 H new ATOM 0 HB3 ARG A 55 -11.352 5.586 6.465 1.00 4.51 H new ATOM 0 HG2 ARG A 55 -11.838 3.628 5.001 1.00 30.44 H new ATOM 0 HG3 ARG A 55 -11.195 2.545 6.219 1.00 30.44 H new ATOM 0 HD2 ARG A 55 -13.699 2.668 6.283 1.00 45.13 H new ATOM 0 HD3 ARG A 55 -12.972 3.155 7.801 1.00 45.13 H new ATOM 0 HE ARG A 55 -13.590 5.330 5.875 1.00 3.44 H new ATOM 0 HH11 ARG A 55 -14.643 3.568 8.804 1.00 34.43 H new ATOM 0 HH12 ARG A 55 -15.728 4.868 9.307 1.00 34.43 H new ATOM 0 HH21 ARG A 55 -14.935 6.968 6.582 1.00 32.43 H new ATOM 0 HH22 ARG A 55 -15.890 6.778 8.056 1.00 32.43 H new ATOM 935 N ASN A 56 -8.982 6.512 7.716 1.00 42.34 N ATOM 936 CA ASN A 56 -8.561 7.845 8.223 1.00 42.51 C ATOM 937 C ASN A 56 -7.203 7.731 8.949 1.00 3.24 C ATOM 938 O ASN A 56 -6.945 8.426 9.939 1.00 41.03 O ATOM 939 CB ASN A 56 -9.661 8.430 9.173 1.00 11.41 C ATOM 940 CG ASN A 56 -10.989 8.816 8.487 1.00 23.45 C ATOM 941 OD1 ASN A 56 -11.606 9.824 8.834 1.00 61.25 O ATOM 942 ND2 ASN A 56 -11.467 8.017 7.543 1.00 23.13 N ATOM 0 H ASN A 56 -9.501 5.962 8.401 1.00 42.34 H new ATOM 0 HA ASN A 56 -8.440 8.528 7.382 1.00 42.51 H new ATOM 0 HB2 ASN A 56 -9.873 7.697 9.951 1.00 11.41 H new ATOM 0 HB3 ASN A 56 -9.257 9.313 9.669 1.00 11.41 H new ATOM 0 HD21 ASN A 56 -12.357 8.234 7.094 1.00 23.13 H new ATOM 0 HD22 ASN A 56 -10.945 7.186 7.266 1.00 23.13 H new ATOM 949 N ILE A 57 -6.328 6.877 8.392 1.00 34.34 N ATOM 950 CA ILE A 57 -5.019 6.527 8.975 1.00 33.34 C ATOM 951 C ILE A 57 -4.062 7.736 9.076 1.00 72.51 C ATOM 952 O ILE A 57 -4.040 8.595 8.197 1.00 22.53 O ATOM 953 CB ILE A 57 -4.327 5.317 8.193 1.00 14.25 C ATOM 954 CG1 ILE A 57 -4.601 5.325 6.636 1.00 65.52 C ATOM 955 CG2 ILE A 57 -4.775 3.964 8.802 1.00 14.54 C ATOM 956 CD1 ILE A 57 -4.074 6.511 5.838 1.00 52.01 C ATOM 0 H ILE A 57 -6.512 6.402 7.509 1.00 34.34 H new ATOM 0 HA ILE A 57 -5.224 6.200 9.994 1.00 33.34 H new ATOM 0 HB ILE A 57 -3.252 5.450 8.316 1.00 14.25 H new ATOM 0 HG12 ILE A 57 -4.171 4.417 6.214 1.00 65.52 H new ATOM 0 HG13 ILE A 57 -5.679 5.268 6.483 1.00 65.52 H new ATOM 0 HG21 ILE A 57 -4.298 3.146 8.262 1.00 14.54 H new ATOM 0 HG22 ILE A 57 -4.485 3.924 9.852 1.00 14.54 H new ATOM 0 HG23 ILE A 57 -5.858 3.869 8.721 1.00 14.54 H new ATOM 0 HD11 ILE A 57 -4.333 6.386 4.787 1.00 52.01 H new ATOM 0 HD12 ILE A 57 -4.521 7.431 6.215 1.00 52.01 H new ATOM 0 HD13 ILE A 57 -2.990 6.566 5.941 1.00 52.01 H new ATOM 968 N SER A 58 -3.286 7.779 10.170 1.00 2.41 N ATOM 969 CA SER A 58 -2.230 8.785 10.382 1.00 43.03 C ATOM 970 C SER A 58 -0.974 8.408 9.571 1.00 52.23 C ATOM 971 O SER A 58 -0.925 7.324 8.974 1.00 65.15 O ATOM 972 CB SER A 58 -1.893 8.865 11.891 1.00 62.24 C ATOM 973 OG SER A 58 -3.049 9.160 12.664 1.00 72.20 O ATOM 0 H SER A 58 -3.373 7.113 10.938 1.00 2.41 H new ATOM 0 HA SER A 58 -2.581 9.759 10.043 1.00 43.03 H new ATOM 0 HB2 SER A 58 -1.464 7.919 12.221 1.00 62.24 H new ATOM 0 HB3 SER A 58 -1.137 9.632 12.057 1.00 62.24 H new ATOM 0 HG SER A 58 -3.572 8.342 12.796 1.00 72.20 H new ATOM 979 N LYS A 59 0.044 9.295 9.585 1.00 72.34 N ATOM 980 CA LYS A 59 1.329 9.074 8.883 1.00 22.41 C ATOM 981 C LYS A 59 2.006 7.771 9.372 1.00 61.23 C ATOM 982 O LYS A 59 2.525 6.994 8.573 1.00 52.21 O ATOM 983 CB LYS A 59 2.268 10.304 9.075 1.00 40.42 C ATOM 984 CG LYS A 59 2.765 10.522 10.525 1.00 30.30 C ATOM 985 CD LYS A 59 3.549 11.841 10.709 1.00 24.13 C ATOM 986 CE LYS A 59 4.236 11.933 12.083 1.00 52.40 C ATOM 987 NZ LYS A 59 4.948 13.229 12.270 1.00 72.34 N ATOM 0 H LYS A 59 -0.001 10.184 10.083 1.00 72.34 H new ATOM 0 HA LYS A 59 1.128 8.962 7.817 1.00 22.41 H new ATOM 0 HB2 LYS A 59 3.134 10.188 8.423 1.00 40.42 H new ATOM 0 HB3 LYS A 59 1.741 11.200 8.748 1.00 40.42 H new ATOM 0 HG2 LYS A 59 1.909 10.519 11.200 1.00 30.30 H new ATOM 0 HG3 LYS A 59 3.401 9.685 10.814 1.00 30.30 H new ATOM 0 HD2 LYS A 59 4.301 11.925 9.924 1.00 24.13 H new ATOM 0 HD3 LYS A 59 2.868 12.684 10.590 1.00 24.13 H new ATOM 0 HE2 LYS A 59 3.490 11.813 12.869 1.00 52.40 H new ATOM 0 HE3 LYS A 59 4.945 11.112 12.189 1.00 52.40 H new ATOM 0 HZ1 LYS A 59 5.396 13.247 13.209 1.00 72.34 H new ATOM 0 HZ2 LYS A 59 5.678 13.333 11.536 1.00 72.34 H new ATOM 0 HZ3 LYS A 59 4.268 14.012 12.196 1.00 72.34 H new ATOM 1001 N GLU A 60 1.917 7.531 10.693 1.00 24.53 N ATOM 1002 CA GLU A 60 2.494 6.351 11.360 1.00 65.23 C ATOM 1003 C GLU A 60 1.740 5.061 10.969 1.00 20.15 C ATOM 1004 O GLU A 60 2.342 3.990 10.838 1.00 21.45 O ATOM 1005 CB GLU A 60 2.474 6.569 12.900 1.00 3.32 C ATOM 1006 CG GLU A 60 1.074 6.879 13.485 1.00 44.53 C ATOM 1007 CD GLU A 60 1.076 7.099 15.008 1.00 65.31 C ATOM 1008 OE1 GLU A 60 1.177 8.263 15.455 1.00 3.44 O ATOM 1009 OE2 GLU A 60 0.983 6.111 15.760 1.00 33.42 O ATOM 0 H GLU A 60 1.436 8.160 11.335 1.00 24.53 H new ATOM 0 HA GLU A 60 3.526 6.229 11.032 1.00 65.23 H new ATOM 0 HB2 GLU A 60 2.868 5.676 13.386 1.00 3.32 H new ATOM 0 HB3 GLU A 60 3.147 7.390 13.147 1.00 3.32 H new ATOM 0 HG2 GLU A 60 0.676 7.769 12.999 1.00 44.53 H new ATOM 0 HG3 GLU A 60 0.400 6.057 13.246 1.00 44.53 H new ATOM 1016 N GLU A 61 0.425 5.190 10.744 1.00 15.13 N ATOM 1017 CA GLU A 61 -0.459 4.044 10.474 1.00 40.54 C ATOM 1018 C GLU A 61 -0.409 3.635 8.989 1.00 62.04 C ATOM 1019 O GLU A 61 -0.540 2.453 8.663 1.00 3.34 O ATOM 1020 CB GLU A 61 -1.901 4.375 10.917 1.00 5.24 C ATOM 1021 CG GLU A 61 -2.044 4.741 12.410 1.00 4.54 C ATOM 1022 CD GLU A 61 -3.503 4.993 12.829 1.00 22.11 C ATOM 1023 OE1 GLU A 61 -4.149 4.086 13.395 1.00 10.02 O ATOM 1024 OE2 GLU A 61 -4.023 6.095 12.566 1.00 11.04 O ATOM 0 H GLU A 61 -0.056 6.089 10.744 1.00 15.13 H new ATOM 0 HA GLU A 61 -0.106 3.191 11.053 1.00 40.54 H new ATOM 0 HB2 GLU A 61 -2.271 5.205 10.315 1.00 5.24 H new ATOM 0 HB3 GLU A 61 -2.539 3.517 10.703 1.00 5.24 H new ATOM 0 HG2 GLU A 61 -1.631 3.935 13.017 1.00 4.54 H new ATOM 0 HG3 GLU A 61 -1.453 5.633 12.618 1.00 4.54 H new ATOM 1031 N LEU A 62 -0.195 4.604 8.080 1.00 52.42 N ATOM 1032 CA LEU A 62 -0.006 4.301 6.647 1.00 20.10 C ATOM 1033 C LEU A 62 1.419 3.759 6.402 1.00 1.43 C ATOM 1034 O LEU A 62 1.667 3.073 5.409 1.00 0.22 O ATOM 1035 CB LEU A 62 -0.385 5.523 5.752 1.00 23.54 C ATOM 1036 CG LEU A 62 0.408 6.868 5.942 1.00 44.32 C ATOM 1037 CD1 LEU A 62 1.739 6.886 5.157 1.00 41.41 C ATOM 1038 CD2 LEU A 62 -0.464 8.099 5.579 1.00 15.42 C ATOM 0 H LEU A 62 -0.149 5.597 8.309 1.00 52.42 H new ATOM 0 HA LEU A 62 -0.693 3.509 6.350 1.00 20.10 H new ATOM 0 HB2 LEU A 62 -0.276 5.218 4.711 1.00 23.54 H new ATOM 0 HB3 LEU A 62 -1.442 5.736 5.912 1.00 23.54 H new ATOM 0 HG LEU A 62 0.659 6.929 7.001 1.00 44.32 H new ATOM 0 HD11 LEU A 62 2.246 7.836 5.323 1.00 41.41 H new ATOM 0 HD12 LEU A 62 2.375 6.070 5.501 1.00 41.41 H new ATOM 0 HD13 LEU A 62 1.536 6.764 4.093 1.00 41.41 H new ATOM 0 HD21 LEU A 62 0.116 9.011 5.722 1.00 15.42 H new ATOM 0 HD22 LEU A 62 -0.778 8.028 4.538 1.00 15.42 H new ATOM 0 HD23 LEU A 62 -1.344 8.124 6.222 1.00 15.42 H new ATOM 1050 N LYS A 63 2.350 4.052 7.345 1.00 62.13 N ATOM 1051 CA LYS A 63 3.672 3.389 7.390 1.00 42.34 C ATOM 1052 C LYS A 63 3.524 1.881 7.680 1.00 14.24 C ATOM 1053 O LYS A 63 4.425 1.110 7.343 1.00 25.42 O ATOM 1054 CB LYS A 63 4.626 4.031 8.438 1.00 44.42 C ATOM 1055 CG LYS A 63 5.176 5.419 8.054 1.00 4.34 C ATOM 1056 CD LYS A 63 6.143 5.988 9.124 1.00 55.03 C ATOM 1057 CE LYS A 63 7.395 5.109 9.318 1.00 71.15 C ATOM 1058 NZ LYS A 63 8.351 5.679 10.306 1.00 22.41 N ATOM 0 H LYS A 63 2.207 4.742 8.082 1.00 62.13 H new ATOM 0 HA LYS A 63 4.118 3.527 6.405 1.00 42.34 H new ATOM 0 HB2 LYS A 63 4.095 4.117 9.386 1.00 44.42 H new ATOM 0 HB3 LYS A 63 5.466 3.357 8.603 1.00 44.42 H new ATOM 0 HG2 LYS A 63 5.696 5.349 7.099 1.00 4.34 H new ATOM 0 HG3 LYS A 63 4.345 6.110 7.915 1.00 4.34 H new ATOM 0 HD2 LYS A 63 6.450 6.993 8.833 1.00 55.03 H new ATOM 0 HD3 LYS A 63 5.616 6.078 10.074 1.00 55.03 H new ATOM 0 HE2 LYS A 63 7.089 4.116 9.646 1.00 71.15 H new ATOM 0 HE3 LYS A 63 7.900 4.986 8.360 1.00 71.15 H new ATOM 0 HZ1 LYS A 63 9.173 5.049 10.397 1.00 22.41 H new ATOM 0 HZ2 LYS A 63 8.667 6.616 9.983 1.00 22.41 H new ATOM 0 HZ3 LYS A 63 7.882 5.772 11.229 1.00 22.41 H new ATOM 1072 N LYS A 64 2.378 1.462 8.285 1.00 62.24 N ATOM 1073 CA LYS A 64 2.093 0.031 8.520 1.00 34.44 C ATOM 1074 C LYS A 64 1.862 -0.693 7.186 1.00 65.31 C ATOM 1075 O LYS A 64 2.100 -1.894 7.092 1.00 1.25 O ATOM 1076 CB LYS A 64 0.881 -0.176 9.472 1.00 74.42 C ATOM 1077 CG LYS A 64 1.088 0.373 10.901 1.00 55.44 C ATOM 1078 CD LYS A 64 2.222 -0.336 11.685 1.00 4.32 C ATOM 1079 CE LYS A 64 1.932 -1.823 11.962 1.00 13.05 C ATOM 1080 NZ LYS A 64 2.963 -2.439 12.844 1.00 54.33 N ATOM 0 H LYS A 64 1.647 2.093 8.613 1.00 62.24 H new ATOM 0 HA LYS A 64 2.965 -0.399 9.012 1.00 34.44 H new ATOM 0 HB2 LYS A 64 0.006 0.305 9.035 1.00 74.42 H new ATOM 0 HB3 LYS A 64 0.662 -1.242 9.534 1.00 74.42 H new ATOM 0 HG2 LYS A 64 1.311 1.438 10.842 1.00 55.44 H new ATOM 0 HG3 LYS A 64 0.156 0.272 11.457 1.00 55.44 H new ATOM 0 HD2 LYS A 64 3.151 -0.253 11.121 1.00 4.32 H new ATOM 0 HD3 LYS A 64 2.377 0.180 12.633 1.00 4.32 H new ATOM 0 HE2 LYS A 64 0.952 -1.920 12.428 1.00 13.05 H new ATOM 0 HE3 LYS A 64 1.891 -2.366 11.018 1.00 13.05 H new ATOM 0 HZ1 LYS A 64 2.729 -3.440 13.005 1.00 54.33 H new ATOM 0 HZ2 LYS A 64 3.895 -2.370 12.389 1.00 54.33 H new ATOM 0 HZ3 LYS A 64 2.985 -1.938 13.755 1.00 54.33 H new ATOM 1094 N LEU A 65 1.431 0.065 6.154 1.00 24.22 N ATOM 1095 CA LEU A 65 1.267 -0.460 4.786 1.00 35.01 C ATOM 1096 C LEU A 65 2.646 -0.763 4.188 1.00 23.43 C ATOM 1097 O LEU A 65 2.841 -1.800 3.551 1.00 74.31 O ATOM 1098 CB LEU A 65 0.491 0.566 3.921 1.00 13.43 C ATOM 1099 CG LEU A 65 -0.951 0.886 4.422 1.00 61.34 C ATOM 1100 CD1 LEU A 65 -1.607 1.996 3.578 1.00 51.11 C ATOM 1101 CD2 LEU A 65 -1.813 -0.392 4.456 1.00 74.41 C ATOM 0 H LEU A 65 1.189 1.051 6.247 1.00 24.22 H new ATOM 0 HA LEU A 65 0.692 -1.385 4.809 1.00 35.01 H new ATOM 0 HB2 LEU A 65 1.062 1.494 3.884 1.00 13.43 H new ATOM 0 HB3 LEU A 65 0.430 0.188 2.901 1.00 13.43 H new ATOM 0 HG LEU A 65 -0.878 1.264 5.442 1.00 61.34 H new ATOM 0 HD11 LEU A 65 -2.611 2.194 3.954 1.00 51.11 H new ATOM 0 HD12 LEU A 65 -1.009 2.905 3.644 1.00 51.11 H new ATOM 0 HD13 LEU A 65 -1.666 1.675 2.538 1.00 51.11 H new ATOM 0 HD21 LEU A 65 -2.815 -0.146 4.808 1.00 74.41 H new ATOM 0 HD22 LEU A 65 -1.875 -0.816 3.454 1.00 74.41 H new ATOM 0 HD23 LEU A 65 -1.360 -1.119 5.130 1.00 74.41 H new ATOM 1113 N LEU A 66 3.604 0.142 4.466 1.00 4.32 N ATOM 1114 CA LEU A 66 5.003 0.017 4.016 1.00 33.34 C ATOM 1115 C LEU A 66 5.679 -1.198 4.682 1.00 15.31 C ATOM 1116 O LEU A 66 6.535 -1.857 4.071 1.00 32.22 O ATOM 1117 CB LEU A 66 5.796 1.317 4.330 1.00 43.23 C ATOM 1118 CG LEU A 66 5.152 2.663 3.859 1.00 4.42 C ATOM 1119 CD1 LEU A 66 6.092 3.853 4.155 1.00 62.43 C ATOM 1120 CD2 LEU A 66 4.736 2.615 2.370 1.00 4.41 C ATOM 0 H LEU A 66 3.428 0.985 5.012 1.00 4.32 H new ATOM 0 HA LEU A 66 5.003 -0.136 2.937 1.00 33.34 H new ATOM 0 HB2 LEU A 66 5.948 1.371 5.408 1.00 43.23 H new ATOM 0 HB3 LEU A 66 6.782 1.233 3.873 1.00 43.23 H new ATOM 0 HG LEU A 66 4.237 2.811 4.432 1.00 4.42 H new ATOM 0 HD11 LEU A 66 5.624 4.778 3.819 1.00 62.43 H new ATOM 0 HD12 LEU A 66 6.281 3.910 5.227 1.00 62.43 H new ATOM 0 HD13 LEU A 66 7.035 3.711 3.628 1.00 62.43 H new ATOM 0 HD21 LEU A 66 4.294 3.569 2.085 1.00 4.41 H new ATOM 0 HD22 LEU A 66 5.614 2.423 1.753 1.00 4.41 H new ATOM 0 HD23 LEU A 66 4.007 1.818 2.221 1.00 4.41 H new ATOM 1132 N GLU A 67 5.273 -1.480 5.946 1.00 44.10 N ATOM 1133 CA GLU A 67 5.701 -2.687 6.674 1.00 45.04 C ATOM 1134 C GLU A 67 5.230 -3.936 5.921 1.00 52.21 C ATOM 1135 O GLU A 67 6.044 -4.757 5.515 1.00 54.13 O ATOM 1136 CB GLU A 67 5.140 -2.724 8.129 1.00 71.34 C ATOM 1137 CG GLU A 67 5.442 -1.484 8.988 1.00 52.31 C ATOM 1138 CD GLU A 67 6.937 -1.146 9.092 1.00 0.41 C ATOM 1139 OE1 GLU A 67 7.684 -1.907 9.747 1.00 11.32 O ATOM 1140 OE2 GLU A 67 7.373 -0.111 8.535 1.00 24.13 O ATOM 0 H GLU A 67 4.645 -0.879 6.479 1.00 44.10 H new ATOM 0 HA GLU A 67 6.789 -2.665 6.734 1.00 45.04 H new ATOM 0 HB2 GLU A 67 4.059 -2.855 8.080 1.00 71.34 H new ATOM 0 HB3 GLU A 67 5.545 -3.601 8.634 1.00 71.34 H new ATOM 0 HG2 GLU A 67 4.914 -0.627 8.569 1.00 52.31 H new ATOM 0 HG3 GLU A 67 5.045 -1.644 9.991 1.00 52.31 H new ATOM 1147 N ARG A 68 3.905 -4.023 5.679 1.00 70.40 N ATOM 1148 CA ARG A 68 3.273 -5.233 5.111 1.00 34.35 C ATOM 1149 C ARG A 68 3.878 -5.610 3.749 1.00 51.42 C ATOM 1150 O ARG A 68 4.173 -6.783 3.507 1.00 54.20 O ATOM 1151 CB ARG A 68 1.737 -5.052 4.963 1.00 1.13 C ATOM 1152 CG ARG A 68 0.996 -4.687 6.269 1.00 1.34 C ATOM 1153 CD ARG A 68 1.264 -5.679 7.404 1.00 34.44 C ATOM 1154 NE ARG A 68 0.654 -5.281 8.684 1.00 35.40 N ATOM 1155 CZ ARG A 68 1.259 -5.348 9.884 1.00 11.02 C ATOM 1156 NH1 ARG A 68 2.512 -5.785 9.992 1.00 72.34 N ATOM 1157 NH2 ARG A 68 0.590 -5.004 10.971 1.00 5.22 N ATOM 0 H ARG A 68 3.249 -3.265 5.869 1.00 70.40 H new ATOM 0 HA ARG A 68 3.470 -6.043 5.813 1.00 34.35 H new ATOM 0 HB2 ARG A 68 1.547 -4.273 4.225 1.00 1.13 H new ATOM 0 HB3 ARG A 68 1.313 -5.975 4.568 1.00 1.13 H new ATOM 0 HG2 ARG A 68 1.300 -3.689 6.586 1.00 1.34 H new ATOM 0 HG3 ARG A 68 -0.076 -4.647 6.074 1.00 1.34 H new ATOM 0 HD2 ARG A 68 0.883 -6.659 7.118 1.00 34.44 H new ATOM 0 HD3 ARG A 68 2.341 -5.783 7.540 1.00 34.44 H new ATOM 0 HE ARG A 68 -0.302 -4.927 8.659 1.00 35.40 H new ATOM 0 HH11 ARG A 68 3.025 -6.074 9.159 1.00 72.34 H new ATOM 0 HH12 ARG A 68 2.959 -5.831 10.908 1.00 72.34 H new ATOM 0 HH21 ARG A 68 -0.378 -4.691 10.896 1.00 5.22 H new ATOM 0 HH22 ARG A 68 1.042 -5.052 11.884 1.00 5.22 H new ATOM 1171 N ILE A 69 4.090 -4.591 2.892 1.00 13.15 N ATOM 1172 CA ILE A 69 4.653 -4.773 1.541 1.00 32.31 C ATOM 1173 C ILE A 69 6.092 -5.326 1.629 1.00 42.14 C ATOM 1174 O ILE A 69 6.412 -6.333 0.961 1.00 60.00 O ATOM 1175 CB ILE A 69 4.618 -3.416 0.723 1.00 54.13 C ATOM 1176 CG1 ILE A 69 3.145 -2.895 0.600 1.00 73.50 C ATOM 1177 CG2 ILE A 69 5.275 -3.572 -0.680 1.00 24.34 C ATOM 1178 CD1 ILE A 69 2.984 -1.523 -0.031 1.00 62.25 C ATOM 0 H ILE A 69 3.876 -3.620 3.118 1.00 13.15 H new ATOM 0 HA ILE A 69 4.037 -5.498 1.008 1.00 32.31 H new ATOM 0 HB ILE A 69 5.204 -2.678 1.271 1.00 54.13 H new ATOM 0 HG12 ILE A 69 2.572 -3.614 0.014 1.00 73.50 H new ATOM 0 HG13 ILE A 69 2.703 -2.871 1.596 1.00 73.50 H new ATOM 0 HG21 ILE A 69 5.231 -2.621 -1.210 1.00 24.34 H new ATOM 0 HG22 ILE A 69 6.316 -3.875 -0.563 1.00 24.34 H new ATOM 0 HG23 ILE A 69 4.739 -4.330 -1.251 1.00 24.34 H new ATOM 0 HD11 ILE A 69 1.927 -1.261 -0.067 1.00 62.25 H new ATOM 0 HD12 ILE A 69 3.521 -0.784 0.563 1.00 62.25 H new ATOM 0 HD13 ILE A 69 3.388 -1.538 -1.043 1.00 62.25 H new ATOM 1190 N ARG A 70 6.937 -4.710 2.516 1.00 53.24 N ATOM 1191 CA ARG A 70 8.345 -5.135 2.668 1.00 20.33 C ATOM 1192 C ARG A 70 8.407 -6.594 3.133 1.00 30.12 C ATOM 1193 O ARG A 70 9.196 -7.374 2.601 1.00 21.03 O ATOM 1194 CB ARG A 70 9.200 -4.220 3.617 1.00 22.42 C ATOM 1195 CG ARG A 70 9.057 -4.430 5.146 1.00 42.44 C ATOM 1196 CD ARG A 70 10.251 -3.872 5.945 1.00 31.30 C ATOM 1197 NE ARG A 70 10.572 -2.473 5.596 1.00 51.22 N ATOM 1198 CZ ARG A 70 10.262 -1.388 6.330 1.00 4.54 C ATOM 1199 NH1 ARG A 70 9.608 -1.509 7.477 1.00 12.10 N ATOM 1200 NH2 ARG A 70 10.640 -0.186 5.918 1.00 45.11 N ATOM 0 H ARG A 70 6.663 -3.935 3.119 1.00 53.24 H new ATOM 0 HA ARG A 70 8.796 -5.034 1.681 1.00 20.33 H new ATOM 0 HB2 ARG A 70 10.250 -4.356 3.357 1.00 22.42 H new ATOM 0 HB3 ARG A 70 8.949 -3.182 3.397 1.00 22.42 H new ATOM 0 HG2 ARG A 70 8.141 -3.949 5.489 1.00 42.44 H new ATOM 0 HG3 ARG A 70 8.955 -5.495 5.353 1.00 42.44 H new ATOM 0 HD2 ARG A 70 10.030 -3.934 7.010 1.00 31.30 H new ATOM 0 HD3 ARG A 70 11.126 -4.496 5.765 1.00 31.30 H new ATOM 0 HE ARG A 70 11.073 -2.315 4.722 1.00 51.22 H new ATOM 0 HH11 ARG A 70 9.334 -2.432 7.813 1.00 12.10 H new ATOM 0 HH12 ARG A 70 9.379 -0.679 8.024 1.00 12.10 H new ATOM 0 HH21 ARG A 70 11.163 -0.086 5.048 1.00 45.11 H new ATOM 0 HH22 ARG A 70 10.407 0.639 6.471 1.00 45.11 H new ATOM 1214 N GLU A 71 7.485 -6.956 4.057 1.00 52.34 N ATOM 1215 CA GLU A 71 7.408 -8.296 4.651 1.00 41.43 C ATOM 1216 C GLU A 71 7.122 -9.362 3.582 1.00 23.30 C ATOM 1217 O GLU A 71 7.614 -10.488 3.691 1.00 11.30 O ATOM 1218 CB GLU A 71 6.332 -8.341 5.776 1.00 15.41 C ATOM 1219 CG GLU A 71 6.632 -7.413 6.973 1.00 23.34 C ATOM 1220 CD GLU A 71 5.557 -7.445 8.075 1.00 33.34 C ATOM 1221 OE1 GLU A 71 5.657 -8.281 8.994 1.00 30.30 O ATOM 1222 OE2 GLU A 71 4.597 -6.643 8.026 1.00 61.43 O ATOM 0 H GLU A 71 6.773 -6.316 4.408 1.00 52.34 H new ATOM 0 HA GLU A 71 8.378 -8.520 5.096 1.00 41.43 H new ATOM 0 HB2 GLU A 71 5.366 -8.068 5.351 1.00 15.41 H new ATOM 0 HB3 GLU A 71 6.243 -9.365 6.138 1.00 15.41 H new ATOM 0 HG2 GLU A 71 7.591 -7.695 7.407 1.00 23.34 H new ATOM 0 HG3 GLU A 71 6.735 -6.390 6.610 1.00 23.34 H new ATOM 1229 N LYS A 72 6.378 -8.982 2.520 1.00 24.53 N ATOM 1230 CA LYS A 72 5.988 -9.924 1.460 1.00 2.34 C ATOM 1231 C LYS A 72 7.172 -10.160 0.505 1.00 33.45 C ATOM 1232 O LYS A 72 7.554 -11.310 0.260 1.00 73.35 O ATOM 1233 CB LYS A 72 4.730 -9.434 0.677 1.00 71.11 C ATOM 1234 CG LYS A 72 3.484 -9.113 1.538 1.00 55.15 C ATOM 1235 CD LYS A 72 3.221 -10.155 2.650 1.00 74.00 C ATOM 1236 CE LYS A 72 1.960 -9.854 3.471 1.00 24.14 C ATOM 1237 NZ LYS A 72 1.962 -8.488 4.054 1.00 73.42 N ATOM 0 H LYS A 72 6.039 -8.031 2.379 1.00 24.53 H new ATOM 0 HA LYS A 72 5.719 -10.868 1.933 1.00 2.34 H new ATOM 0 HB2 LYS A 72 5.000 -8.540 0.115 1.00 71.11 H new ATOM 0 HB3 LYS A 72 4.458 -10.198 -0.051 1.00 71.11 H new ATOM 0 HG2 LYS A 72 3.609 -8.131 1.993 1.00 55.15 H new ATOM 0 HG3 LYS A 72 2.609 -9.055 0.890 1.00 55.15 H new ATOM 0 HD2 LYS A 72 3.126 -11.143 2.199 1.00 74.00 H new ATOM 0 HD3 LYS A 72 4.082 -10.190 3.317 1.00 74.00 H new ATOM 0 HE2 LYS A 72 1.082 -9.971 2.835 1.00 24.14 H new ATOM 0 HE3 LYS A 72 1.872 -10.586 4.274 1.00 24.14 H new ATOM 0 HZ1 LYS A 72 1.608 -8.527 5.031 1.00 73.42 H new ATOM 0 HZ2 LYS A 72 2.931 -8.111 4.052 1.00 73.42 H new ATOM 0 HZ3 LYS A 72 1.348 -7.868 3.488 1.00 73.42 H new ATOM 1251 N ILE A 73 7.781 -9.054 0.016 1.00 22.15 N ATOM 1252 CA ILE A 73 8.886 -9.127 -0.974 1.00 2.31 C ATOM 1253 C ILE A 73 10.145 -9.813 -0.383 1.00 71.44 C ATOM 1254 O ILE A 73 10.925 -10.404 -1.124 1.00 63.33 O ATOM 1255 CB ILE A 73 9.237 -7.706 -1.617 1.00 31.43 C ATOM 1256 CG1 ILE A 73 9.742 -6.641 -0.570 1.00 42.43 C ATOM 1257 CG2 ILE A 73 8.019 -7.151 -2.405 1.00 74.30 C ATOM 1258 CD1 ILE A 73 11.239 -6.670 -0.247 1.00 34.43 C ATOM 0 H ILE A 73 7.529 -8.104 0.288 1.00 22.15 H new ATOM 0 HA ILE A 73 8.523 -9.753 -1.789 1.00 2.31 H new ATOM 0 HB ILE A 73 10.070 -7.881 -2.298 1.00 31.43 H new ATOM 0 HG12 ILE A 73 9.491 -5.648 -0.943 1.00 42.43 H new ATOM 0 HG13 ILE A 73 9.188 -6.783 0.358 1.00 42.43 H new ATOM 0 HG21 ILE A 73 8.275 -6.183 -2.836 1.00 74.30 H new ATOM 0 HG22 ILE A 73 7.755 -7.845 -3.203 1.00 74.30 H new ATOM 0 HG23 ILE A 73 7.171 -7.035 -1.730 1.00 74.30 H new ATOM 0 HD11 ILE A 73 11.469 -5.894 0.483 1.00 34.43 H new ATOM 0 HD12 ILE A 73 11.504 -7.645 0.163 1.00 34.43 H new ATOM 0 HD13 ILE A 73 11.811 -6.492 -1.157 1.00 34.43 H new ATOM 1270 N GLU A 74 10.338 -9.708 0.958 1.00 31.13 N ATOM 1271 CA GLU A 74 11.502 -10.308 1.660 1.00 24.03 C ATOM 1272 C GLU A 74 11.234 -11.776 2.057 1.00 11.23 C ATOM 1273 O GLU A 74 12.160 -12.591 2.013 1.00 52.15 O ATOM 1274 CB GLU A 74 11.895 -9.464 2.909 1.00 50.15 C ATOM 1275 CG GLU A 74 10.839 -9.458 4.027 1.00 1.11 C ATOM 1276 CD GLU A 74 11.111 -8.509 5.203 1.00 13.25 C ATOM 1277 OE1 GLU A 74 11.772 -7.462 5.024 1.00 31.14 O ATOM 1278 OE2 GLU A 74 10.620 -8.792 6.319 1.00 53.13 O ATOM 0 H GLU A 74 9.698 -9.210 1.577 1.00 31.13 H new ATOM 0 HA GLU A 74 12.340 -10.302 0.963 1.00 24.03 H new ATOM 0 HB2 GLU A 74 12.832 -9.848 3.312 1.00 50.15 H new ATOM 0 HB3 GLU A 74 12.081 -8.437 2.595 1.00 50.15 H new ATOM 0 HG2 GLU A 74 9.876 -9.195 3.589 1.00 1.11 H new ATOM 0 HG3 GLU A 74 10.746 -10.471 4.417 1.00 1.11 H new ATOM 1285 N ARG A 75 9.972 -12.112 2.460 1.00 64.03 N ATOM 1286 CA ARG A 75 9.613 -13.499 2.865 1.00 60.15 C ATOM 1287 C ARG A 75 9.546 -14.422 1.642 1.00 1.13 C ATOM 1288 O ARG A 75 9.649 -15.644 1.771 1.00 73.51 O ATOM 1289 CB ARG A 75 8.261 -13.563 3.641 1.00 73.13 C ATOM 1290 CG ARG A 75 6.984 -13.496 2.769 1.00 55.21 C ATOM 1291 CD ARG A 75 5.675 -13.586 3.575 1.00 41.41 C ATOM 1292 NE ARG A 75 4.518 -13.911 2.713 1.00 34.12 N ATOM 1293 CZ ARG A 75 3.223 -13.818 3.074 1.00 4.42 C ATOM 1294 NH1 ARG A 75 2.873 -13.399 4.292 1.00 70.21 N ATOM 1295 NH2 ARG A 75 2.282 -14.178 2.214 1.00 40.14 N ATOM 0 H ARG A 75 9.199 -11.449 2.511 1.00 64.03 H new ATOM 0 HA ARG A 75 10.400 -13.839 3.538 1.00 60.15 H new ATOM 0 HB2 ARG A 75 8.237 -14.488 4.217 1.00 73.13 H new ATOM 0 HB3 ARG A 75 8.234 -12.741 4.356 1.00 73.13 H new ATOM 0 HG2 ARG A 75 6.989 -12.563 2.205 1.00 55.21 H new ATOM 0 HG3 ARG A 75 7.009 -14.308 2.042 1.00 55.21 H new ATOM 0 HD2 ARG A 75 5.777 -14.347 4.349 1.00 41.41 H new ATOM 0 HD3 ARG A 75 5.495 -12.638 4.082 1.00 41.41 H new ATOM 0 HE ARG A 75 4.717 -14.233 1.766 1.00 34.12 H new ATOM 0 HH11 ARG A 75 3.591 -13.142 4.969 1.00 70.21 H new ATOM 0 HH12 ARG A 75 1.887 -13.336 4.546 1.00 70.21 H new ATOM 0 HH21 ARG A 75 2.541 -14.521 1.289 1.00 40.14 H new ATOM 0 HH22 ARG A 75 1.299 -14.112 2.477 1.00 40.14 H new ATOM 1309 N GLU A 76 9.325 -13.823 0.463 1.00 23.04 N ATOM 1310 CA GLU A 76 9.346 -14.544 -0.809 1.00 42.25 C ATOM 1311 C GLU A 76 10.718 -14.419 -1.486 1.00 41.32 C ATOM 1312 O GLU A 76 11.174 -15.358 -2.157 1.00 40.11 O ATOM 1313 CB GLU A 76 8.219 -14.030 -1.737 1.00 74.11 C ATOM 1314 CG GLU A 76 6.797 -14.170 -1.149 1.00 32.12 C ATOM 1315 CD GLU A 76 6.450 -15.597 -0.689 1.00 35.43 C ATOM 1316 OE1 GLU A 76 6.348 -15.838 0.533 1.00 34.42 O ATOM 1317 OE2 GLU A 76 6.277 -16.490 -1.549 1.00 3.13 O ATOM 0 H GLU A 76 9.127 -12.827 0.369 1.00 23.04 H new ATOM 0 HA GLU A 76 9.170 -15.601 -0.610 1.00 42.25 H new ATOM 0 HB2 GLU A 76 8.403 -12.980 -1.966 1.00 74.11 H new ATOM 0 HB3 GLU A 76 8.265 -14.574 -2.680 1.00 74.11 H new ATOM 0 HG2 GLU A 76 6.696 -13.491 -0.302 1.00 32.12 H new ATOM 0 HG3 GLU A 76 6.072 -13.854 -1.899 1.00 32.12 H new ATOM 1324 N GLY A 77 11.361 -13.246 -1.314 1.00 43.43 N ATOM 1325 CA GLY A 77 12.631 -12.927 -1.988 1.00 14.15 C ATOM 1326 C GLY A 77 12.511 -12.921 -3.510 1.00 34.34 C ATOM 1327 O GLY A 77 13.511 -13.031 -4.227 1.00 14.23 O ATOM 0 H GLY A 77 11.016 -12.501 -0.709 1.00 43.43 H new ATOM 0 HA2 GLY A 77 12.979 -11.950 -1.652 1.00 14.15 H new ATOM 0 HA3 GLY A 77 13.387 -13.654 -1.691 1.00 14.15 H new ATOM 1331 N SER A 78 11.265 -12.780 -3.992 1.00 74.12 N ATOM 1332 CA SER A 78 10.911 -12.924 -5.406 1.00 64.05 C ATOM 1333 C SER A 78 10.619 -11.548 -6.018 1.00 52.23 C ATOM 1334 O SER A 78 10.019 -10.683 -5.367 1.00 64.44 O ATOM 1335 CB SER A 78 9.674 -13.845 -5.530 1.00 63.22 C ATOM 1336 OG SER A 78 9.888 -15.099 -4.892 1.00 53.33 O ATOM 0 H SER A 78 10.466 -12.559 -3.397 1.00 74.12 H new ATOM 0 HA SER A 78 11.745 -13.370 -5.948 1.00 64.05 H new ATOM 0 HB2 SER A 78 8.808 -13.354 -5.086 1.00 63.22 H new ATOM 0 HB3 SER A 78 9.444 -14.007 -6.583 1.00 63.22 H new ATOM 0 HG SER A 78 10.165 -14.951 -3.964 1.00 53.33 H new ATOM 1342 N SER A 79 11.038 -11.371 -7.280 1.00 43.40 N ATOM 1343 CA SER A 79 10.760 -10.161 -8.070 1.00 45.31 C ATOM 1344 C SER A 79 9.286 -10.122 -8.546 1.00 62.22 C ATOM 1345 O SER A 79 8.832 -9.107 -9.062 1.00 62.32 O ATOM 1346 CB SER A 79 11.727 -10.117 -9.273 1.00 55.54 C ATOM 1347 OG SER A 79 13.083 -10.166 -8.842 1.00 55.13 O ATOM 0 H SER A 79 11.584 -12.069 -7.785 1.00 43.40 H new ATOM 0 HA SER A 79 10.915 -9.283 -7.443 1.00 45.31 H new ATOM 0 HB2 SER A 79 11.523 -10.956 -9.938 1.00 55.54 H new ATOM 0 HB3 SER A 79 11.557 -9.206 -9.847 1.00 55.54 H new ATOM 0 HG SER A 79 13.675 -10.139 -9.622 1.00 55.13 H new ATOM 1353 N GLU A 80 8.567 -11.247 -8.364 1.00 53.12 N ATOM 1354 CA GLU A 80 7.144 -11.391 -8.722 1.00 4.32 C ATOM 1355 C GLU A 80 6.287 -10.562 -7.732 1.00 10.13 C ATOM 1356 O GLU A 80 5.951 -11.051 -6.660 1.00 34.45 O ATOM 1357 CB GLU A 80 6.762 -12.921 -8.678 1.00 21.41 C ATOM 1358 CG GLU A 80 5.628 -13.384 -9.630 1.00 33.00 C ATOM 1359 CD GLU A 80 4.298 -12.629 -9.473 1.00 24.33 C ATOM 1360 OE1 GLU A 80 4.080 -11.635 -10.187 1.00 44.34 O ATOM 1361 OE2 GLU A 80 3.455 -13.033 -8.654 1.00 13.14 O ATOM 0 H GLU A 80 8.966 -12.094 -7.958 1.00 53.12 H new ATOM 0 HA GLU A 80 6.956 -11.018 -9.729 1.00 4.32 H new ATOM 0 HB2 GLU A 80 7.656 -13.502 -8.906 1.00 21.41 H new ATOM 0 HB3 GLU A 80 6.472 -13.170 -7.657 1.00 21.41 H new ATOM 0 HG2 GLU A 80 5.971 -13.275 -10.659 1.00 33.00 H new ATOM 0 HG3 GLU A 80 5.447 -14.446 -9.465 1.00 33.00 H new ATOM 1368 N VAL A 81 5.988 -9.293 -8.076 1.00 72.51 N ATOM 1369 CA VAL A 81 5.205 -8.386 -7.198 1.00 64.02 C ATOM 1370 C VAL A 81 4.254 -7.487 -8.017 1.00 73.23 C ATOM 1371 O VAL A 81 4.632 -6.950 -9.059 1.00 64.33 O ATOM 1372 CB VAL A 81 6.149 -7.516 -6.264 1.00 73.43 C ATOM 1373 CG1 VAL A 81 7.202 -6.721 -7.070 1.00 75.52 C ATOM 1374 CG2 VAL A 81 5.335 -6.583 -5.323 1.00 11.00 C ATOM 0 H VAL A 81 6.276 -8.868 -8.957 1.00 72.51 H new ATOM 0 HA VAL A 81 4.593 -9.015 -6.552 1.00 64.02 H new ATOM 0 HB VAL A 81 6.693 -8.221 -5.636 1.00 73.43 H new ATOM 0 HG11 VAL A 81 7.823 -6.142 -6.386 1.00 75.52 H new ATOM 0 HG12 VAL A 81 7.829 -7.413 -7.632 1.00 75.52 H new ATOM 0 HG13 VAL A 81 6.697 -6.046 -7.761 1.00 75.52 H new ATOM 0 HG21 VAL A 81 6.020 -6.006 -4.702 1.00 11.00 H new ATOM 0 HG22 VAL A 81 4.727 -5.904 -5.921 1.00 11.00 H new ATOM 0 HG23 VAL A 81 4.686 -7.185 -4.686 1.00 11.00 H new ATOM 1384 N GLU A 82 3.008 -7.351 -7.529 1.00 44.40 N ATOM 1385 CA GLU A 82 1.996 -6.449 -8.102 1.00 74.11 C ATOM 1386 C GLU A 82 1.198 -5.822 -6.943 1.00 50.24 C ATOM 1387 O GLU A 82 0.372 -6.497 -6.324 1.00 13.34 O ATOM 1388 CB GLU A 82 1.038 -7.239 -9.035 1.00 43.42 C ATOM 1389 CG GLU A 82 0.050 -6.364 -9.839 1.00 73.10 C ATOM 1390 CD GLU A 82 -1.122 -7.165 -10.429 1.00 44.55 C ATOM 1391 OE1 GLU A 82 -2.163 -7.284 -9.756 1.00 63.44 O ATOM 1392 OE2 GLU A 82 -1.005 -7.697 -11.547 1.00 2.53 O ATOM 0 H GLU A 82 2.673 -7.870 -6.717 1.00 44.40 H new ATOM 0 HA GLU A 82 2.483 -5.671 -8.691 1.00 74.11 H new ATOM 0 HB2 GLU A 82 1.635 -7.824 -9.734 1.00 43.42 H new ATOM 0 HB3 GLU A 82 0.468 -7.946 -8.433 1.00 43.42 H new ATOM 0 HG2 GLU A 82 -0.343 -5.581 -9.191 1.00 73.10 H new ATOM 0 HG3 GLU A 82 0.588 -5.869 -10.648 1.00 73.10 H new ATOM 1399 N VAL A 83 1.445 -4.539 -6.646 1.00 34.33 N ATOM 1400 CA VAL A 83 0.743 -3.827 -5.563 1.00 12.03 C ATOM 1401 C VAL A 83 -0.369 -2.958 -6.176 1.00 2.04 C ATOM 1402 O VAL A 83 -0.093 -1.973 -6.851 1.00 61.44 O ATOM 1403 CB VAL A 83 1.737 -2.937 -4.713 1.00 0.13 C ATOM 1404 CG1 VAL A 83 0.997 -2.200 -3.567 1.00 43.02 C ATOM 1405 CG2 VAL A 83 2.907 -3.788 -4.159 1.00 53.31 C ATOM 0 H VAL A 83 2.129 -3.968 -7.142 1.00 34.33 H new ATOM 0 HA VAL A 83 0.308 -4.561 -4.884 1.00 12.03 H new ATOM 0 HB VAL A 83 2.153 -2.180 -5.378 1.00 0.13 H new ATOM 0 HG11 VAL A 83 1.709 -1.598 -3.003 1.00 43.02 H new ATOM 0 HG12 VAL A 83 0.227 -1.553 -3.988 1.00 43.02 H new ATOM 0 HG13 VAL A 83 0.534 -2.931 -2.904 1.00 43.02 H new ATOM 0 HG21 VAL A 83 3.576 -3.153 -3.578 1.00 53.31 H new ATOM 0 HG22 VAL A 83 2.512 -4.578 -3.520 1.00 53.31 H new ATOM 0 HG23 VAL A 83 3.458 -4.233 -4.988 1.00 53.31 H new ATOM 1415 N ASN A 84 -1.629 -3.354 -5.945 1.00 41.43 N ATOM 1416 CA ASN A 84 -2.809 -2.614 -6.406 1.00 5.53 C ATOM 1417 C ASN A 84 -3.353 -1.816 -5.221 1.00 52.25 C ATOM 1418 O ASN A 84 -3.984 -2.382 -4.326 1.00 33.41 O ATOM 1419 CB ASN A 84 -3.895 -3.619 -6.914 1.00 44.11 C ATOM 1420 CG ASN A 84 -3.559 -4.370 -8.214 1.00 14.21 C ATOM 1421 OD1 ASN A 84 -4.456 -4.817 -8.927 1.00 4.43 O ATOM 1422 ND2 ASN A 84 -2.290 -4.511 -8.560 1.00 65.13 N ATOM 0 H ASN A 84 -1.858 -4.204 -5.429 1.00 41.43 H new ATOM 0 HA ASN A 84 -2.546 -1.945 -7.225 1.00 5.53 H new ATOM 0 HB2 ASN A 84 -4.078 -4.353 -6.130 1.00 44.11 H new ATOM 0 HB3 ASN A 84 -4.827 -3.073 -7.063 1.00 44.11 H new ATOM 0 HD21 ASN A 84 -2.048 -4.994 -9.425 1.00 65.13 H new ATOM 0 HD22 ASN A 84 -1.554 -4.137 -7.962 1.00 65.13 H new ATOM 1429 N VAL A 85 -3.115 -0.501 -5.225 1.00 73.40 N ATOM 1430 CA VAL A 85 -3.620 0.393 -4.181 1.00 55.43 C ATOM 1431 C VAL A 85 -4.956 0.967 -4.646 1.00 0.52 C ATOM 1432 O VAL A 85 -5.015 1.691 -5.630 1.00 0.32 O ATOM 1433 CB VAL A 85 -2.618 1.565 -3.848 1.00 74.55 C ATOM 1434 CG1 VAL A 85 -3.220 2.534 -2.790 1.00 41.32 C ATOM 1435 CG2 VAL A 85 -1.254 1.001 -3.379 1.00 73.33 C ATOM 0 H VAL A 85 -2.570 -0.030 -5.947 1.00 73.40 H new ATOM 0 HA VAL A 85 -3.739 -0.185 -3.264 1.00 55.43 H new ATOM 0 HB VAL A 85 -2.451 2.138 -4.760 1.00 74.55 H new ATOM 0 HG11 VAL A 85 -2.507 3.332 -2.580 1.00 41.32 H new ATOM 0 HG12 VAL A 85 -4.144 2.965 -3.175 1.00 41.32 H new ATOM 0 HG13 VAL A 85 -3.431 1.985 -1.872 1.00 41.32 H new ATOM 0 HG21 VAL A 85 -0.577 1.825 -3.154 1.00 73.33 H new ATOM 0 HG22 VAL A 85 -1.399 0.396 -2.484 1.00 73.33 H new ATOM 0 HG23 VAL A 85 -0.825 0.384 -4.168 1.00 73.33 H new ATOM 1445 N HIS A 86 -6.015 0.592 -3.946 1.00 35.31 N ATOM 1446 CA HIS A 86 -7.367 1.115 -4.167 1.00 24.31 C ATOM 1447 C HIS A 86 -7.583 2.275 -3.188 1.00 42.30 C ATOM 1448 O HIS A 86 -6.986 2.272 -2.115 1.00 63.31 O ATOM 1449 CB HIS A 86 -8.415 0.002 -3.928 1.00 64.43 C ATOM 1450 CG HIS A 86 -8.245 -1.230 -4.796 1.00 71.41 C ATOM 1451 ND1 HIS A 86 -9.094 -1.547 -5.834 1.00 33.33 N ATOM 1452 CD2 HIS A 86 -7.332 -2.235 -4.756 1.00 35.22 C ATOM 1453 CE1 HIS A 86 -8.715 -2.683 -6.381 1.00 21.24 C ATOM 1454 NE2 HIS A 86 -7.650 -3.124 -5.744 1.00 72.34 N ATOM 0 H HIS A 86 -5.965 -0.096 -3.194 1.00 35.31 H new ATOM 0 HA HIS A 86 -7.480 1.463 -5.194 1.00 24.31 H new ATOM 0 HB2 HIS A 86 -8.372 -0.300 -2.881 1.00 64.43 H new ATOM 0 HB3 HIS A 86 -9.409 0.416 -4.100 1.00 64.43 H new ATOM 0 HD2 HIS A 86 -6.504 -2.317 -4.067 1.00 35.22 H new ATOM 0 HE1 HIS A 86 -9.198 -3.172 -7.214 1.00 21.24 H new ATOM 0 HE2 HIS A 86 -7.146 -3.986 -5.953 1.00 72.34 H new ATOM 1463 N SER A 87 -8.380 3.279 -3.579 1.00 63.33 N ATOM 1464 CA SER A 87 -8.711 4.424 -2.722 1.00 63.25 C ATOM 1465 C SER A 87 -9.970 5.118 -3.268 1.00 22.22 C ATOM 1466 O SER A 87 -9.885 5.850 -4.262 1.00 55.25 O ATOM 1467 CB SER A 87 -7.514 5.403 -2.656 1.00 11.22 C ATOM 1468 OG SER A 87 -7.744 6.458 -1.749 1.00 45.33 O ATOM 0 H SER A 87 -8.814 3.319 -4.501 1.00 63.33 H new ATOM 0 HA SER A 87 -8.915 4.080 -1.708 1.00 63.25 H new ATOM 0 HB2 SER A 87 -6.617 4.859 -2.360 1.00 11.22 H new ATOM 0 HB3 SER A 87 -7.325 5.813 -3.648 1.00 11.22 H new ATOM 0 HG SER A 87 -8.308 7.137 -2.174 1.00 45.33 H new ATOM 1474 N GLY A 88 -11.124 4.850 -2.618 1.00 70.51 N ATOM 1475 CA GLY A 88 -12.413 5.466 -2.967 1.00 64.33 C ATOM 1476 C GLY A 88 -12.820 5.333 -4.440 1.00 61.22 C ATOM 1477 O GLY A 88 -13.340 6.286 -5.029 1.00 71.55 O ATOM 0 H GLY A 88 -11.183 4.198 -1.836 1.00 70.51 H new ATOM 0 HA2 GLY A 88 -13.191 5.018 -2.349 1.00 64.33 H new ATOM 0 HA3 GLY A 88 -12.373 6.525 -2.711 1.00 64.33 H new ATOM 1481 N GLY A 89 -12.544 4.158 -5.045 1.00 20.31 N ATOM 1482 CA GLY A 89 -12.855 3.903 -6.465 1.00 32.34 C ATOM 1483 C GLY A 89 -11.617 3.899 -7.364 1.00 24.11 C ATOM 1484 O GLY A 89 -11.583 3.188 -8.372 1.00 63.31 O ATOM 0 H GLY A 89 -12.105 3.370 -4.569 1.00 20.31 H new ATOM 0 HA2 GLY A 89 -13.362 2.942 -6.552 1.00 32.34 H new ATOM 0 HA3 GLY A 89 -13.551 4.663 -6.820 1.00 32.34 H new ATOM 1488 N GLN A 90 -10.592 4.677 -6.980 1.00 35.44 N ATOM 1489 CA GLN A 90 -9.324 4.794 -7.738 1.00 74.34 C ATOM 1490 C GLN A 90 -8.412 3.586 -7.445 1.00 35.11 C ATOM 1491 O GLN A 90 -8.456 3.043 -6.354 1.00 14.34 O ATOM 1492 CB GLN A 90 -8.605 6.107 -7.335 1.00 41.22 C ATOM 1493 CG GLN A 90 -9.441 7.383 -7.563 1.00 61.24 C ATOM 1494 CD GLN A 90 -8.759 8.674 -7.096 1.00 54.22 C ATOM 1495 OE1 GLN A 90 -8.946 9.735 -7.692 1.00 71.13 O ATOM 1496 NE2 GLN A 90 -8.012 8.609 -5.998 1.00 70.24 N ATOM 0 H GLN A 90 -10.614 5.246 -6.134 1.00 35.44 H new ATOM 0 HA GLN A 90 -9.546 4.811 -8.805 1.00 74.34 H new ATOM 0 HB2 GLN A 90 -8.331 6.049 -6.282 1.00 41.22 H new ATOM 0 HB3 GLN A 90 -7.677 6.188 -7.901 1.00 41.22 H new ATOM 0 HG2 GLN A 90 -9.668 7.470 -8.625 1.00 61.24 H new ATOM 0 HG3 GLN A 90 -10.392 7.279 -7.041 1.00 61.24 H new ATOM 0 HE21 GLN A 90 -7.876 7.715 -5.526 1.00 70.24 H new ATOM 0 HE22 GLN A 90 -7.575 9.453 -5.627 1.00 70.24 H new ATOM 1505 N THR A 91 -7.614 3.148 -8.435 1.00 32.21 N ATOM 1506 CA THR A 91 -6.689 2.004 -8.286 1.00 52.32 C ATOM 1507 C THR A 91 -5.386 2.256 -9.074 1.00 22.32 C ATOM 1508 O THR A 91 -5.424 2.379 -10.298 1.00 51.42 O ATOM 1509 CB THR A 91 -7.354 0.662 -8.761 1.00 45.04 C ATOM 1510 OG1 THR A 91 -8.576 0.435 -8.029 1.00 14.05 O ATOM 1511 CG2 THR A 91 -6.417 -0.552 -8.563 1.00 51.12 C ATOM 0 H THR A 91 -7.590 3.575 -9.361 1.00 32.21 H new ATOM 0 HA THR A 91 -6.452 1.908 -7.226 1.00 52.32 H new ATOM 0 HB THR A 91 -7.561 0.762 -9.826 1.00 45.04 H new ATOM 0 HG1 THR A 91 -8.432 -0.269 -7.363 1.00 14.05 H new ATOM 0 HG21 THR A 91 -6.918 -1.458 -8.905 1.00 51.12 H new ATOM 0 HG22 THR A 91 -5.503 -0.404 -9.138 1.00 51.12 H new ATOM 0 HG23 THR A 91 -6.169 -0.651 -7.506 1.00 51.12 H new ATOM 1519 N TRP A 92 -4.254 2.357 -8.360 1.00 11.13 N ATOM 1520 CA TRP A 92 -2.914 2.445 -8.969 1.00 2.03 C ATOM 1521 C TRP A 92 -2.279 1.047 -8.953 1.00 63.31 C ATOM 1522 O TRP A 92 -2.026 0.489 -7.876 1.00 4.14 O ATOM 1523 CB TRP A 92 -2.022 3.445 -8.175 1.00 44.31 C ATOM 1524 CG TRP A 92 -2.606 4.837 -8.067 1.00 3.22 C ATOM 1525 CD1 TRP A 92 -2.359 5.916 -8.872 1.00 24.22 C ATOM 1526 CD2 TRP A 92 -3.554 5.284 -7.090 1.00 33.44 C ATOM 1527 NE1 TRP A 92 -3.099 6.992 -8.453 1.00 13.04 N ATOM 1528 CE2 TRP A 92 -3.838 6.629 -7.362 1.00 63.21 C ATOM 1529 CE3 TRP A 92 -4.186 4.668 -6.013 1.00 44.14 C ATOM 1530 CZ2 TRP A 92 -4.733 7.367 -6.597 1.00 22.35 C ATOM 1531 CZ3 TRP A 92 -5.069 5.393 -5.256 1.00 4.42 C ATOM 1532 CH2 TRP A 92 -5.338 6.731 -5.550 1.00 52.02 C ATOM 0 H TRP A 92 -4.240 2.380 -7.340 1.00 11.13 H new ATOM 0 HA TRP A 92 -2.999 2.805 -9.994 1.00 2.03 H new ATOM 0 HB2 TRP A 92 -1.858 3.052 -7.172 1.00 44.31 H new ATOM 0 HB3 TRP A 92 -1.046 3.508 -8.657 1.00 44.31 H new ATOM 0 HD1 TRP A 92 -1.681 5.920 -9.713 1.00 24.22 H new ATOM 0 HE1 TRP A 92 -3.098 7.915 -8.886 1.00 13.04 H new ATOM 0 HE3 TRP A 92 -3.983 3.634 -5.778 1.00 44.14 H new ATOM 0 HZ2 TRP A 92 -4.942 8.403 -6.821 1.00 22.35 H new ATOM 0 HZ3 TRP A 92 -5.564 4.922 -4.420 1.00 4.42 H new ATOM 0 HH2 TRP A 92 -6.040 7.276 -4.936 1.00 52.02 H new ATOM 1543 N THR A 93 -2.045 0.482 -10.144 1.00 72.43 N ATOM 1544 CA THR A 93 -1.399 -0.825 -10.295 1.00 11.35 C ATOM 1545 C THR A 93 0.121 -0.640 -10.470 1.00 4.52 C ATOM 1546 O THR A 93 0.599 -0.218 -11.533 1.00 15.21 O ATOM 1547 CB THR A 93 -2.021 -1.616 -11.498 1.00 64.24 C ATOM 1548 OG1 THR A 93 -2.101 -0.770 -12.659 1.00 3.24 O ATOM 1549 CG2 THR A 93 -3.423 -2.162 -11.169 1.00 44.04 C ATOM 0 H THR A 93 -2.299 0.919 -11.030 1.00 72.43 H new ATOM 0 HA THR A 93 -1.572 -1.413 -9.394 1.00 11.35 H new ATOM 0 HB THR A 93 -1.366 -2.464 -11.698 1.00 64.24 H new ATOM 0 HG1 THR A 93 -1.275 -0.250 -12.742 1.00 3.24 H new ATOM 0 HG21 THR A 93 -3.814 -2.702 -12.031 1.00 44.04 H new ATOM 0 HG22 THR A 93 -3.360 -2.837 -10.316 1.00 44.04 H new ATOM 0 HG23 THR A 93 -4.089 -1.333 -10.927 1.00 44.04 H new ATOM 1557 N PHE A 94 0.858 -0.926 -9.389 1.00 72.54 N ATOM 1558 CA PHE A 94 2.324 -0.921 -9.369 1.00 74.13 C ATOM 1559 C PHE A 94 2.810 -2.325 -9.752 1.00 33.12 C ATOM 1560 O PHE A 94 2.474 -3.308 -9.089 1.00 52.44 O ATOM 1561 CB PHE A 94 2.848 -0.527 -7.954 1.00 3.22 C ATOM 1562 CG PHE A 94 2.398 0.859 -7.482 1.00 22.14 C ATOM 1563 CD1 PHE A 94 3.108 2.007 -7.850 1.00 33.02 C ATOM 1564 CD2 PHE A 94 1.264 1.018 -6.678 1.00 64.40 C ATOM 1565 CE1 PHE A 94 2.698 3.261 -7.432 1.00 24.13 C ATOM 1566 CE2 PHE A 94 0.859 2.273 -6.262 1.00 40.13 C ATOM 1567 CZ PHE A 94 1.575 3.393 -6.638 1.00 21.21 C ATOM 0 H PHE A 94 0.444 -1.171 -8.490 1.00 72.54 H new ATOM 0 HA PHE A 94 2.706 -0.187 -10.079 1.00 74.13 H new ATOM 0 HB2 PHE A 94 2.510 -1.272 -7.233 1.00 3.22 H new ATOM 0 HB3 PHE A 94 3.937 -0.561 -7.960 1.00 3.22 H new ATOM 0 HD1 PHE A 94 3.988 1.913 -8.469 1.00 33.02 H new ATOM 0 HD2 PHE A 94 0.697 0.149 -6.378 1.00 64.40 H new ATOM 0 HE1 PHE A 94 3.256 4.137 -7.727 1.00 24.13 H new ATOM 0 HE2 PHE A 94 -0.019 2.378 -5.642 1.00 40.13 H new ATOM 0 HZ PHE A 94 1.257 4.372 -6.311 1.00 21.21 H new ATOM 1577 N ASN A 95 3.588 -2.397 -10.832 1.00 24.10 N ATOM 1578 CA ASN A 95 4.073 -3.663 -11.413 1.00 35.23 C ATOM 1579 C ASN A 95 5.501 -3.951 -10.937 1.00 71.04 C ATOM 1580 O ASN A 95 6.195 -3.041 -10.455 1.00 31.22 O ATOM 1581 CB ASN A 95 4.045 -3.588 -12.965 1.00 23.02 C ATOM 1582 CG ASN A 95 2.655 -3.287 -13.532 1.00 64.41 C ATOM 1583 OD1 ASN A 95 2.260 -2.126 -13.652 1.00 13.24 O ATOM 1584 ND2 ASN A 95 1.910 -4.318 -13.907 1.00 21.34 N ATOM 0 H ASN A 95 3.907 -1.571 -11.339 1.00 24.10 H new ATOM 0 HA ASN A 95 3.417 -4.469 -11.083 1.00 35.23 H new ATOM 0 HB2 ASN A 95 4.740 -2.817 -13.297 1.00 23.02 H new ATOM 0 HB3 ASN A 95 4.400 -4.534 -13.374 1.00 23.02 H new ATOM 0 HD21 ASN A 95 0.985 -4.160 -14.306 1.00 21.34 H new ATOM 0 HD22 ASN A 95 2.262 -5.269 -13.796 1.00 21.34 H new